----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:33:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.225561680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.820278845000001 2.656909340000000 c 0.000000000000000 -8.820278845000001 2.656909340000000 Atomic positions (fractional): *1 S 0.50327803164703 0.10543619022073 0.32460236494279 32.065 2 S 0.49672196835297 0.32460236494279 0.10543619022073 32.065 *3 S 0.25000000000000 0.94909327640048 0.53090695910625 32.065 4 S 0.75000000000000 0.53090695910625 0.94909327640048 32.065 *5 S 0.25000000000000 0.74653925830554 0.73221545240132 32.065 6 S 0.75000000000000 0.73221545240132 0.74653925830554 32.065 7 S 0.99672196835297 0.10543619022073 0.32460236494279 32.065 8 S 0.00327803164703 0.32460236494279 0.10543619022073 32.065 *9 K 0.25000000000000 0.55339676529884 0.91848371262331 39.098 10 K 0.75000000000000 0.91848371262331 0.55339676529884 39.098 *11 V 0.25000000000000 0.08804229852948 0.86722921307750 50.941 12 V 0.75000000000000 0.86722921307750 0.08804229852948 50.941 *13 Cu 0.50000000000000 0.99555409931237 0.99555409931237 63.546 14 Cu 0.00000000000000 0.99555409931237 0.99555409931237 63.546 *15 Cu 0.25000000000000 0.58557519359816 0.36877242170742 63.546 16 Cu 0.75000000000000 0.36877242170742 0.58557519359816 63.546 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.225561680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.640557690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.313818680000000 Atomic positions (fractional): *1 S 0.50327803164703 0.89041691263897 0.21501927758176 32.065 > 1 2 S 0.49672196835297 0.60958308736103 0.71501927758176 32.065 > 2 *3 S 0.25000000000000 0.70909315864711 0.24000011775336 32.065 > 3 4 S 0.75000000000000 0.79090684135289 0.74000011775337 32.065 > 4 *5 S 0.25000000000000 0.50716190295211 0.23937735535343 32.065 > 5 6 S 0.75000000000000 0.99283809704789 0.73937735535343 32.065 > 6 7 S 0.99672196835297 0.89041691263897 0.21501927758176 32.065 > 7 8 S 0.00327803164703 0.60958308736103 0.71501927758176 32.065 > 8 9 S 0.50327803164703 0.39041691263897 0.71501927758176 32.065 > 1 10 S 0.49672196835297 0.10958308736103 0.21501927758176 32.065 > 2 11 S 0.25000000000000 0.20909315864711 0.74000011775337 32.065 > 3 12 S 0.75000000000000 0.29090684135289 0.24000011775336 32.065 > 4 13 S 0.25000000000000 0.00716190295211 0.73937735535343 32.065 > 5 14 S 0.75000000000000 0.49283809704789 0.23937735535343 32.065 > 6 15 S 0.99672196835297 0.39041691263897 0.71501927758176 32.065 > 7 16 S 0.00327803164703 0.10958308736103 0.21501927758176 32.065 > 8 *17 K 0.25000000000000 0.81745652633777 0.73594023896107 39.098 > 9 18 K 0.75000000000000 0.68254347366223 0.23594023896107 39.098 > 10 19 K 0.25000000000000 0.31745652633777 0.23594023896107 39.098 > 9 20 K 0.75000000000000 0.18254347366223 0.73594023896107 39.098 > 10 *21 V 0.25000000000000 0.61040654272599 0.47763575580349 50.941 > 11 22 V 0.75000000000000 0.88959345727401 0.97763575580349 50.941 > 12 23 V 0.25000000000000 0.11040654272599 0.97763575580349 50.941 > 11 24 V 0.75000000000000 0.38959345727401 0.47763575580349 50.941 > 12 *25 Cu 0.50000000000000 0.00000000000000 0.99555409931237 63.546 > 13 26 Cu 0.00000000000000 0.00000000000000 0.99555409931237 63.546 > 14 *27 Cu 0.25000000000000 0.60840138594537 0.97717380765279 63.546 > 15 28 Cu 0.75000000000000 0.89159861405463 0.47717380765279 63.546 > 16 29 Cu 0.50000000000000 0.50000000000000 0.49555409931237 63.546 > 13 30 Cu 0.00000000000000 0.50000000000000 0.49555409931237 63.546 > 14 31 Cu 0.25000000000000 0.10840138594537 0.47717380765279 63.546 > 15 32 Cu 0.75000000000000 0.39159861405463 0.97717380765279 63.546 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.451123360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.640557690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.627637360000000 Atomic positions (fractional): *1 S 0.25163901582351 0.89041691263897 0.10750963879088 32.065 > 1 2 S 0.75163901582351 0.89041691263897 0.10750963879088 32.065 > 1 3 S 0.25163901582351 0.89041691263897 0.60750963879088 32.065 > 1 4 S 0.75163901582351 0.89041691263897 0.60750963879088 32.065 > 1 5 S 0.24836098417649 0.60958308736103 0.35750963879088 32.065 > 2 6 S 0.74836098417649 0.60958308736103 0.35750963879088 32.065 > 2 7 S 0.24836098417649 0.60958308736103 0.85750963879088 32.065 > 2 8 S 0.74836098417649 0.60958308736103 0.85750963879088 32.065 > 2 *9 S 0.12500000000000 0.70909315864711 0.12000005887668 32.065 > 3 10 S 0.62500000000000 0.70909315864711 0.12000005887668 32.065 > 3 11 S 0.12500000000000 0.70909315864711 0.62000005887668 32.065 > 3 12 S 0.62500000000000 0.70909315864711 0.62000005887668 32.065 > 3 13 S 0.37500000000000 0.79090684135289 0.37000005887668 32.065 > 4 14 S 0.87500000000000 0.79090684135289 0.37000005887668 32.065 > 4 15 S 0.37500000000000 0.79090684135289 0.87000005887668 32.065 > 4 16 S 0.87500000000000 0.79090684135289 0.87000005887668 32.065 > 4 *17 S 0.12500000000000 0.50716190295211 0.11968867767671 32.065 > 5 18 S 0.62500000000000 0.50716190295211 0.11968867767671 32.065 > 5 19 S 0.12500000000000 0.50716190295211 0.61968867767671 32.065 > 5 20 S 0.62500000000000 0.50716190295211 0.61968867767671 32.065 > 5 21 S 0.37500000000000 0.99283809704789 0.36968867767671 32.065 > 6 22 S 0.87500000000000 0.99283809704789 0.36968867767671 32.065 > 6 23 S 0.37500000000000 0.99283809704789 0.86968867767671 32.065 > 6 24 S 0.87500000000000 0.99283809704789 0.86968867767671 32.065 > 6 25 S 0.49836098417649 0.89041691263897 0.10750963879088 32.065 > 7 26 S 0.99836098417649 0.89041691263897 0.10750963879088 32.065 > 7 27 S 0.49836098417649 0.89041691263897 0.60750963879088 32.065 > 7 28 S 0.99836098417649 0.89041691263897 0.60750963879088 32.065 > 7 29 S 0.00163901582351 0.60958308736103 0.35750963879088 32.065 > 8 30 S 0.50163901582351 0.60958308736103 0.35750963879088 32.065 > 8 31 S 0.00163901582351 0.60958308736103 0.85750963879088 32.065 > 8 32 S 0.50163901582351 0.60958308736103 0.85750963879088 32.065 > 8 33 S 0.25163901582351 0.39041691263897 0.35750963879088 32.065 > 1 34 S 0.75163901582351 0.39041691263897 0.35750963879088 32.065 > 1 35 S 0.25163901582351 0.39041691263897 0.85750963879088 32.065 > 1 36 S 0.75163901582351 0.39041691263897 0.85750963879088 32.065 > 1 37 S 0.24836098417649 0.10958308736103 0.10750963879088 32.065 > 2 38 S 0.74836098417649 0.10958308736103 0.10750963879088 32.065 > 2 39 S 0.24836098417649 0.10958308736103 0.60750963879088 32.065 > 2 40 S 0.74836098417649 0.10958308736103 0.60750963879088 32.065 > 2 41 S 0.12500000000000 0.20909315864711 0.37000005887668 32.065 > 3 42 S 0.62500000000000 0.20909315864711 0.37000005887668 32.065 > 3 43 S 0.12500000000000 0.20909315864711 0.87000005887668 32.065 > 3 44 S 0.62500000000000 0.20909315864711 0.87000005887668 32.065 > 3 45 S 0.37500000000000 0.29090684135289 0.12000005887668 32.065 > 4 46 S 0.87500000000000 0.29090684135289 0.12000005887668 32.065 > 4 47 S 0.37500000000000 0.29090684135289 0.62000005887668 32.065 > 4 48 S 0.87500000000000 0.29090684135289 0.62000005887668 32.065 > 4 49 S 0.12500000000000 0.00716190295211 0.36968867767671 32.065 > 5 50 S 0.62500000000000 0.00716190295211 0.36968867767671 32.065 > 5 51 S 0.12500000000000 0.00716190295211 0.86968867767671 32.065 > 5 52 S 0.62500000000000 0.00716190295211 0.86968867767671 32.065 > 5 53 S 0.37500000000000 0.49283809704789 0.11968867767671 32.065 > 6 54 S 0.87500000000000 0.49283809704789 0.11968867767671 32.065 > 6 55 S 0.37500000000000 0.49283809704789 0.61968867767671 32.065 > 6 56 S 0.87500000000000 0.49283809704789 0.61968867767671 32.065 > 6 57 S 0.49836098417649 0.39041691263897 0.35750963879088 32.065 > 7 58 S 0.99836098417649 0.39041691263897 0.35750963879088 32.065 > 7 59 S 0.49836098417649 0.39041691263897 0.85750963879088 32.065 > 7 60 S 0.99836098417649 0.39041691263897 0.85750963879088 32.065 > 7 61 S 0.00163901582351 0.10958308736103 0.10750963879088 32.065 > 8 62 S 0.50163901582351 0.10958308736103 0.10750963879088 32.065 > 8 63 S 0.00163901582351 0.10958308736103 0.60750963879088 32.065 > 8 64 S 0.50163901582351 0.10958308736103 0.60750963879088 32.065 > 8 *65 K 0.12500000000000 0.81745652633777 0.36797011948054 39.098 > 9 66 K 0.62500000000000 0.81745652633777 0.36797011948054 39.098 > 9 67 K 0.12500000000000 0.81745652633777 0.86797011948054 39.098 > 9 68 K 0.62500000000000 0.81745652633777 0.86797011948054 39.098 > 9 69 K 0.37500000000000 0.68254347366223 0.11797011948054 39.098 > 10 70 K 0.87500000000000 0.68254347366223 0.11797011948054 39.098 > 10 71 K 0.37500000000000 0.68254347366223 0.61797011948054 39.098 > 10 72 K 0.87500000000000 0.68254347366223 0.61797011948054 39.098 > 10 73 K 0.12500000000000 0.31745652633777 0.11797011948054 39.098 > 9 74 K 0.62500000000000 0.31745652633777 0.11797011948054 39.098 > 9 75 K 0.12500000000000 0.31745652633777 0.61797011948054 39.098 > 9 76 K 0.62500000000000 0.31745652633777 0.61797011948054 39.098 > 9 77 K 0.37500000000000 0.18254347366223 0.36797011948054 39.098 > 10 78 K 0.87500000000000 0.18254347366223 0.36797011948054 39.098 > 10 79 K 0.37500000000000 0.18254347366223 0.86797011948054 39.098 > 10 80 K 0.87500000000000 0.18254347366223 0.86797011948054 39.098 > 10 *81 V 0.12500000000000 0.61040654272599 0.23881787790175 50.941 > 11 82 V 0.62500000000000 0.61040654272599 0.23881787790175 50.941 > 11 83 V 0.12500000000000 0.61040654272599 0.73881787790175 50.941 > 11 84 V 0.62500000000000 0.61040654272599 0.73881787790175 50.941 > 11 85 V 0.37500000000000 0.88959345727401 0.48881787790175 50.941 > 12 86 V 0.87500000000000 0.88959345727401 0.48881787790175 50.941 > 12 87 V 0.37500000000000 0.88959345727401 0.98881787790175 50.941 > 12 88 V 0.87500000000000 0.88959345727401 0.98881787790175 50.941 > 12 89 V 0.12500000000000 0.11040654272599 0.48881787790175 50.941 > 11 90 V 0.62500000000000 0.11040654272599 0.48881787790175 50.941 > 11 91 V 0.12500000000000 0.11040654272599 0.98881787790175 50.941 > 11 92 V 0.62500000000000 0.11040654272599 0.98881787790175 50.941 > 11 93 V 0.37500000000000 0.38959345727401 0.23881787790175 50.941 > 12 94 V 0.87500000000000 0.38959345727401 0.23881787790175 50.941 > 12 95 V 0.37500000000000 0.38959345727401 0.73881787790175 50.941 > 12 96 V 0.87500000000000 0.38959345727401 0.73881787790175 50.941 > 12 *97 Cu 0.25000000000000 0.00000000000000 0.49777704965619 63.546 > 13 98 Cu 0.75000000000000 0.00000000000000 0.49777704965619 63.546 > 13 99 Cu 0.25000000000000 0.00000000000000 0.99777704965619 63.546 > 13 100 Cu 0.75000000000000 0.00000000000000 0.99777704965619 63.546 > 13 101 Cu 0.00000000000000 0.00000000000000 0.49777704965619 63.546 > 14 102 Cu 0.50000000000000 0.00000000000000 0.49777704965619 63.546 > 14 103 Cu 0.00000000000000 0.00000000000000 0.99777704965619 63.546 > 14 104 Cu 0.50000000000000 0.00000000000000 0.99777704965619 63.546 > 14 *105 Cu 0.12500000000000 0.60840138594537 0.48858690382639 63.546 > 15 106 Cu 0.62500000000000 0.60840138594537 0.48858690382639 63.546 > 15 107 Cu 0.12500000000000 0.60840138594537 0.98858690382639 63.546 > 15 108 Cu 0.62500000000000 0.60840138594537 0.98858690382639 63.546 > 15 109 Cu 0.37500000000000 0.89159861405463 0.23858690382639 63.546 > 16 110 Cu 0.87500000000000 0.89159861405463 0.23858690382639 63.546 > 16 111 Cu 0.37500000000000 0.89159861405463 0.73858690382639 63.546 > 16 112 Cu 0.87500000000000 0.89159861405463 0.73858690382639 63.546 > 16 113 Cu 0.25000000000000 0.50000000000000 0.24777704965619 63.546 > 13 114 Cu 0.75000000000000 0.50000000000000 0.24777704965619 63.546 > 13 115 Cu 0.25000000000000 0.50000000000000 0.74777704965619 63.546 > 13 116 Cu 0.75000000000000 0.50000000000000 0.74777704965619 63.546 > 13 117 Cu 0.00000000000000 0.50000000000000 0.24777704965619 63.546 > 14 118 Cu 0.50000000000000 0.50000000000000 0.24777704965619 63.546 > 14 119 Cu 0.00000000000000 0.50000000000000 0.74777704965619 63.546 > 14 120 Cu 0.50000000000000 0.50000000000000 0.74777704965619 63.546 > 14 121 Cu 0.12500000000000 0.10840138594537 0.23858690382639 63.546 > 15 122 Cu 0.62500000000000 0.10840138594537 0.23858690382639 63.546 > 15 123 Cu 0.12500000000000 0.10840138594537 0.73858690382639 63.546 > 15 124 Cu 0.62500000000000 0.10840138594537 0.73858690382639 63.546 > 15 125 Cu 0.37500000000000 0.39159861405463 0.48858690382639 63.546 > 16 126 Cu 0.87500000000000 0.39159861405463 0.48858690382639 63.546 > 16 127 Cu 0.37500000000000 0.39159861405463 0.98858690382639 63.546 > 16 128 Cu 0.87500000000000 0.39159861405463 0.98858690382639 63.546 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1104455 0.0000000 0.0000000 0.0000000 5.9601395 0.0000000 0.0000000 0.0000000 7.2412429 -------------------------- Born effective charges -------------------------- 1 S -1.5002356 -0.1788689 0.6851717 0.0794288 -0.0897706 0.0264593 1.1850250 0.2697208 -0.9635544 2 S -1.5002356 -0.1788689 -0.6851717 0.0794288 -0.0897706 -0.0264593 -1.1850250 -0.2697208 -0.9635544 3 S -0.2275624 0.0000000 0.0000000 0.0000000 -1.7791341 0.7957309 0.0000000 1.6428122 -1.4087452 4 S -0.2275624 0.0000000 0.0000000 0.0000000 -1.7791341 -0.7957309 0.0000000 -1.6428122 -1.4087452 5 S 0.0747486 0.0000000 0.0000000 0.0000000 -1.0722611 -0.6819542 0.0000000 -0.8255702 -0.5273470 6 S 0.0747486 0.0000000 0.0000000 0.0000000 -1.0722611 0.6819542 0.0000000 0.8255702 -0.5273470 7 S -1.5002356 0.1788689 -0.6851717 -0.0794288 -0.0897706 0.0264593 -1.1850250 0.2697208 -0.9635544 8 S -1.5002356 0.1788689 0.6851717 -0.0794288 -0.0897706 -0.0264593 1.1850250 -0.2697208 -0.9635544 9 K 1.4767355 0.0000000 0.0000000 0.0000000 1.6547024 0.0201045 0.0000000 -0.0080291 1.3270591 10 K 1.4767355 0.0000000 0.0000000 0.0000000 1.6547024 -0.0201045 0.0000000 0.0080291 1.3270591 11 V 1.3088846 0.0000000 0.0000000 0.0000000 1.1376508 -0.5625949 0.0000000 -0.8679872 2.3294838 12 V 1.3088846 0.0000000 0.0000000 0.0000000 1.1376508 0.5625949 0.0000000 0.8679872 2.3294838 13 Cu 0.1087565 0.1942724 0.0000000 0.1115202 -0.0172490 0.0000000 0.0000000 0.0000000 0.3761774 14 Cu 0.1087565 -0.1942724 0.0000000 -0.1115202 -0.0172490 0.0000000 0.0000000 0.0000000 0.3761774 15 Cu 0.2589083 0.0000000 0.0000000 0.0000000 0.2558323 0.0156351 0.0000000 0.0271894 -0.1695193 16 Cu 0.2589083 0.0000000 0.0000000 0.0000000 0.2558323 -0.0156351 0.0000000 -0.0271894 -0.1695193 ---------------------------------------------------------------------------- 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: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2428 Number of blocks in projector: 2428 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: 608 Use submatrix version of eigh solver. (1) Block: 500 / 608 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 608 / 608 (1) 101 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 332 Use standard eigh solver. Tree of FC basis block matrices: - (2428, 2389), data: False |-- (332, 325), data: True |-- (332, 325), data: True |-- (332, 325), data: True |-- (408, 406), data: True |-- (416, 412), data: True |-- (608, 596), data: False |-- (608, 7), data: (608, 19) @ (19, 7) |-- (108, 101), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.896 Solver_block: 200 / 480 - Time: 0.705 Solver_block: 300 / 480 - Time: 0.708 Solver_block: 400 / 480 - Time: 0.700 Solver_block: 480 / 480 - Time: 0.594 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.697 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) Permutation basis: 384/384 Permutation basis: 10992/10992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2428 Number of blocks in projector: 2428 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: 608 Use submatrix version of eigh solver. (1) Block: 500 / 608 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 608 / 608 (1) 101 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 408 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 332 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 332 Use standard eigh solver. Tree of FC basis block matrices: - (2428, 2389), data: False |-- (332, 325), data: True |-- (332, 325), data: True |-- (332, 325), data: True |-- (408, 406), data: True |-- (416, 412), data: True |-- (608, 596), data: False |-- (608, 7), data: (608, 19) @ (19, 7) |-- (108, 101), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yz) 0.00000000 (yz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:34:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:34:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.225561680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.820278845000001 2.656909340000000 c 0.000000000000000 -8.820278845000001 2.656909340000000 Atomic positions (fractional): 1 S 0.50327803164703 0.10543619022073 0.32460236494279 32.065 2 S 0.49672196835297 0.32460236494279 0.10543619022073 32.065 3 S 0.25000000000000 0.94909327640048 0.53090695910625 32.065 4 S 0.75000000000000 0.53090695910625 0.94909327640048 32.065 5 S 0.25000000000000 0.74653925830554 0.73221545240132 32.065 6 S 0.75000000000000 0.73221545240132 0.74653925830554 32.065 7 S 0.99672196835297 0.10543619022073 0.32460236494279 32.065 8 S 0.00327803164703 0.32460236494279 0.10543619022073 32.065 9 K 0.25000000000000 0.55339676529884 0.91848371262331 39.098 10 K 0.75000000000000 0.91848371262331 0.55339676529884 39.098 11 V 0.25000000000000 0.08804229852948 0.86722921307750 50.941 12 V 0.75000000000000 0.86722921307750 0.08804229852948 50.941 13 Cu 0.50000000000000 0.99555409931237 0.99555409931237 63.546 14 Cu 0.00000000000000 0.99555409931237 0.99555409931237 63.546 15 Cu 0.25000000000000 0.58557519359816 0.36877242170742 63.546 16 Cu 0.75000000000000 0.36877242170742 0.58557519359816 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.451123360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.640557690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.627637360000000 Atomic positions (fractional): 1 S 0.25163901582351 0.89041691263897 0.10750963879088 32.065 > 1 2 S 0.75163901582351 0.89041691263897 0.10750963879088 32.065 > 1 3 S 0.25163901582351 0.89041691263897 0.60750963879088 32.065 > 1 4 S 0.75163901582351 0.89041691263897 0.60750963879088 32.065 > 1 5 S 0.24836098417649 0.60958308736103 0.35750963879088 32.065 > 5 6 S 0.74836098417649 0.60958308736103 0.35750963879088 32.065 > 5 7 S 0.24836098417649 0.60958308736103 0.85750963879088 32.065 > 5 8 S 0.74836098417649 0.60958308736103 0.85750963879088 32.065 > 5 9 S 0.12500000000000 0.70909315864711 0.12000005887668 32.065 > 9 10 S 0.62500000000000 0.70909315864711 0.12000005887668 32.065 > 9 11 S 0.12500000000000 0.70909315864711 0.62000005887668 32.065 > 9 12 S 0.62500000000000 0.70909315864711 0.62000005887668 32.065 > 9 13 S 0.37500000000000 0.79090684135289 0.37000005887668 32.065 > 13 14 S 0.87500000000000 0.79090684135289 0.37000005887668 32.065 > 13 15 S 0.37500000000000 0.79090684135289 0.87000005887668 32.065 > 13 16 S 0.87500000000000 0.79090684135289 0.87000005887668 32.065 > 13 17 S 0.12500000000000 0.50716190295211 0.11968867767671 32.065 > 17 18 S 0.62500000000000 0.50716190295211 0.11968867767671 32.065 > 17 19 S 0.12500000000000 0.50716190295211 0.61968867767671 32.065 > 17 20 S 0.62500000000000 0.50716190295211 0.61968867767671 32.065 > 17 21 S 0.37500000000000 0.99283809704789 0.36968867767671 32.065 > 21 22 S 0.87500000000000 0.99283809704789 0.36968867767671 32.065 > 21 23 S 0.37500000000000 0.99283809704789 0.86968867767671 32.065 > 21 24 S 0.87500000000000 0.99283809704789 0.86968867767671 32.065 > 21 25 S 0.49836098417649 0.89041691263897 0.10750963879088 32.065 > 25 26 S 0.99836098417649 0.89041691263897 0.10750963879088 32.065 > 25 27 S 0.49836098417649 0.89041691263897 0.60750963879088 32.065 > 25 28 S 0.99836098417649 0.89041691263897 0.60750963879088 32.065 > 25 29 S 0.00163901582351 0.60958308736103 0.35750963879088 32.065 > 29 30 S 0.50163901582351 0.60958308736103 0.35750963879088 32.065 > 29 31 S 0.00163901582351 0.60958308736103 0.85750963879088 32.065 > 29 32 S 0.50163901582351 0.60958308736103 0.85750963879088 32.065 > 29 33 S 0.25163901582351 0.39041691263897 0.35750963879088 32.065 > 1 34 S 0.75163901582351 0.39041691263897 0.35750963879088 32.065 > 1 35 S 0.25163901582351 0.39041691263897 0.85750963879088 32.065 > 1 36 S 0.75163901582351 0.39041691263897 0.85750963879088 32.065 > 1 37 S 0.24836098417649 0.10958308736103 0.10750963879088 32.065 > 5 38 S 0.74836098417649 0.10958308736103 0.10750963879088 32.065 > 5 39 S 0.24836098417649 0.10958308736103 0.60750963879088 32.065 > 5 40 S 0.74836098417649 0.10958308736103 0.60750963879088 32.065 > 5 41 S 0.12500000000000 0.20909315864711 0.37000005887668 32.065 > 9 42 S 0.62500000000000 0.20909315864711 0.37000005887668 32.065 > 9 43 S 0.12500000000000 0.20909315864711 0.87000005887668 32.065 > 9 44 S 0.62500000000000 0.20909315864711 0.87000005887668 32.065 > 9 45 S 0.37500000000000 0.29090684135289 0.12000005887668 32.065 > 13 46 S 0.87500000000000 0.29090684135289 0.12000005887668 32.065 > 13 47 S 0.37500000000000 0.29090684135289 0.62000005887668 32.065 > 13 48 S 0.87500000000000 0.29090684135289 0.62000005887668 32.065 > 13 49 S 0.12500000000000 0.00716190295211 0.36968867767671 32.065 > 17 50 S 0.62500000000000 0.00716190295211 0.36968867767671 32.065 > 17 51 S 0.12500000000000 0.00716190295211 0.86968867767671 32.065 > 17 52 S 0.62500000000000 0.00716190295211 0.86968867767671 32.065 > 17 53 S 0.37500000000000 0.49283809704789 0.11968867767671 32.065 > 21 54 S 0.87500000000000 0.49283809704789 0.11968867767671 32.065 > 21 55 S 0.37500000000000 0.49283809704789 0.61968867767671 32.065 > 21 56 S 0.87500000000000 0.49283809704789 0.61968867767671 32.065 > 21 57 S 0.49836098417649 0.39041691263897 0.35750963879088 32.065 > 25 58 S 0.99836098417649 0.39041691263897 0.35750963879088 32.065 > 25 59 S 0.49836098417649 0.39041691263897 0.85750963879088 32.065 > 25 60 S 0.99836098417649 0.39041691263897 0.85750963879088 32.065 > 25 61 S 0.00163901582351 0.10958308736103 0.10750963879088 32.065 > 29 62 S 0.50163901582351 0.10958308736103 0.10750963879088 32.065 > 29 63 S 0.00163901582351 0.10958308736103 0.60750963879088 32.065 > 29 64 S 0.50163901582351 0.10958308736103 0.60750963879088 32.065 > 29 65 K 0.12500000000000 0.81745652633777 0.36797011948054 39.098 > 65 66 K 0.62500000000000 0.81745652633777 0.36797011948054 39.098 > 65 67 K 0.12500000000000 0.81745652633777 0.86797011948054 39.098 > 65 68 K 0.62500000000000 0.81745652633777 0.86797011948054 39.098 > 65 69 K 0.37500000000000 0.68254347366223 0.11797011948054 39.098 > 69 70 K 0.87500000000000 0.68254347366223 0.11797011948054 39.098 > 69 71 K 0.37500000000000 0.68254347366223 0.61797011948054 39.098 > 69 72 K 0.87500000000000 0.68254347366223 0.61797011948054 39.098 > 69 73 K 0.12500000000000 0.31745652633777 0.11797011948054 39.098 > 65 74 K 0.62500000000000 0.31745652633777 0.11797011948054 39.098 > 65 75 K 0.12500000000000 0.31745652633777 0.61797011948054 39.098 > 65 76 K 0.62500000000000 0.31745652633777 0.61797011948054 39.098 > 65 77 K 0.37500000000000 0.18254347366223 0.36797011948054 39.098 > 69 78 K 0.87500000000000 0.18254347366223 0.36797011948054 39.098 > 69 79 K 0.37500000000000 0.18254347366223 0.86797011948054 39.098 > 69 80 K 0.87500000000000 0.18254347366223 0.86797011948054 39.098 > 69 81 V 0.12500000000000 0.61040654272599 0.23881787790175 50.941 > 81 82 V 0.62500000000000 0.61040654272599 0.23881787790175 50.941 > 81 83 V 0.12500000000000 0.61040654272599 0.73881787790175 50.941 > 81 84 V 0.62500000000000 0.61040654272599 0.73881787790175 50.941 > 81 85 V 0.37500000000000 0.88959345727401 0.48881787790175 50.941 > 85 86 V 0.87500000000000 0.88959345727401 0.48881787790175 50.941 > 85 87 V 0.37500000000000 0.88959345727401 0.98881787790175 50.941 > 85 88 V 0.87500000000000 0.88959345727401 0.98881787790175 50.941 > 85 89 V 0.12500000000000 0.11040654272599 0.48881787790175 50.941 > 81 90 V 0.62500000000000 0.11040654272599 0.48881787790175 50.941 > 81 91 V 0.12500000000000 0.11040654272599 0.98881787790175 50.941 > 81 92 V 0.62500000000000 0.11040654272599 0.98881787790175 50.941 > 81 93 V 0.37500000000000 0.38959345727401 0.23881787790175 50.941 > 85 94 V 0.87500000000000 0.38959345727401 0.23881787790175 50.941 > 85 95 V 0.37500000000000 0.38959345727401 0.73881787790175 50.941 > 85 96 V 0.87500000000000 0.38959345727401 0.73881787790175 50.941 > 85 97 Cu 0.25000000000000 0.00000000000000 0.49777704965619 63.546 > 97 98 Cu 0.75000000000000 0.00000000000000 0.49777704965619 63.546 > 97 99 Cu 0.25000000000000 0.00000000000000 0.99777704965619 63.546 > 97 100 Cu 0.75000000000000 0.00000000000000 0.99777704965619 63.546 > 97 101 Cu 0.00000000000000 0.00000000000000 0.49777704965619 63.546 > 101 102 Cu 0.50000000000000 0.00000000000000 0.49777704965619 63.546 > 101 103 Cu 0.00000000000000 0.00000000000000 0.99777704965619 63.546 > 101 104 Cu 0.50000000000000 0.00000000000000 0.99777704965619 63.546 > 101 105 Cu 0.12500000000000 0.60840138594537 0.48858690382639 63.546 > 105 106 Cu 0.62500000000000 0.60840138594537 0.48858690382639 63.546 > 105 107 Cu 0.12500000000000 0.60840138594537 0.98858690382639 63.546 > 105 108 Cu 0.62500000000000 0.60840138594537 0.98858690382639 63.546 > 105 109 Cu 0.37500000000000 0.89159861405463 0.23858690382639 63.546 > 109 110 Cu 0.87500000000000 0.89159861405463 0.23858690382639 63.546 > 109 111 Cu 0.37500000000000 0.89159861405463 0.73858690382639 63.546 > 109 112 Cu 0.87500000000000 0.89159861405463 0.73858690382639 63.546 > 109 113 Cu 0.25000000000000 0.50000000000000 0.24777704965619 63.546 > 97 114 Cu 0.75000000000000 0.50000000000000 0.24777704965619 63.546 > 97 115 Cu 0.25000000000000 0.50000000000000 0.74777704965619 63.546 > 97 116 Cu 0.75000000000000 0.50000000000000 0.74777704965619 63.546 > 97 117 Cu 0.00000000000000 0.50000000000000 0.24777704965619 63.546 > 101 118 Cu 0.50000000000000 0.50000000000000 0.24777704965619 63.546 > 101 119 Cu 0.00000000000000 0.50000000000000 0.74777704965619 63.546 > 101 120 Cu 0.50000000000000 0.50000000000000 0.74777704965619 63.546 > 101 121 Cu 0.12500000000000 0.10840138594537 0.23858690382639 63.546 > 105 122 Cu 0.62500000000000 0.10840138594537 0.23858690382639 63.546 > 105 123 Cu 0.12500000000000 0.10840138594537 0.73858690382639 63.546 > 105 124 Cu 0.62500000000000 0.10840138594537 0.73858690382639 63.546 > 105 125 Cu 0.37500000000000 0.39159861405463 0.48858690382639 63.546 > 109 126 Cu 0.87500000000000 0.39159861405463 0.48858690382639 63.546 > 109 127 Cu 0.37500000000000 0.39159861405463 0.98858690382639 63.546 > 109 128 Cu 0.87500000000000 0.39159861405463 0.98858690382639 63.546 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1104455 0.0000000 0.0000000 0.0000000 5.9601395 0.0000000 0.0000000 0.0000000 7.2412429 -------------------------- Born effective charges -------------------------- 1 S -1.5002356 -0.1788689 0.6851717 0.0794288 -0.0897706 0.0264593 1.1850250 0.2697208 -0.9635544 2 S -1.5002356 -0.1788689 -0.6851717 0.0794288 -0.0897706 -0.0264593 -1.1850250 -0.2697208 -0.9635544 3 S -0.2275624 0.0000000 0.0000000 0.0000000 -1.7791341 0.7957309 0.0000000 1.6428122 -1.4087452 4 S -0.2275624 0.0000000 0.0000000 0.0000000 -1.7791341 -0.7957309 0.0000000 -1.6428122 -1.4087452 5 S 0.0747486 0.0000000 0.0000000 0.0000000 -1.0722611 -0.6819542 0.0000000 -0.8255702 -0.5273470 6 S 0.0747486 0.0000000 0.0000000 0.0000000 -1.0722611 0.6819542 0.0000000 0.8255702 -0.5273470 7 S -1.5002356 0.1788689 -0.6851717 -0.0794288 -0.0897706 0.0264593 -1.1850250 0.2697208 -0.9635544 8 S -1.5002356 0.1788689 0.6851717 -0.0794288 -0.0897706 -0.0264593 1.1850250 -0.2697208 -0.9635544 9 K 1.4767355 0.0000000 0.0000000 0.0000000 1.6547024 0.0201045 0.0000000 -0.0080291 1.3270591 10 K 1.4767355 0.0000000 0.0000000 0.0000000 1.6547024 -0.0201045 0.0000000 0.0080291 1.3270591 11 V 1.3088846 0.0000000 0.0000000 0.0000000 1.1376508 -0.5625949 0.0000000 -0.8679872 2.3294838 12 V 1.3088846 0.0000000 0.0000000 0.0000000 1.1376508 0.5625949 0.0000000 0.8679872 2.3294838 13 Cu 0.1087565 0.1942724 0.0000000 0.1115202 -0.0172490 0.0000000 0.0000000 0.0000000 0.3761774 14 Cu 0.1087565 -0.1942724 0.0000000 -0.1115202 -0.0172490 0.0000000 0.0000000 0.0000000 0.3761774 15 Cu 0.2589083 0.0000000 0.0000000 0.0000000 0.2558323 0.0156351 0.0000000 0.0271894 -0.1695193 16 Cu 0.2589083 0.0000000 0.0000000 0.0000000 0.2558323 -0.0156351 0.0000000 -0.0271894 -0.1695193 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yzy) 0.00000002 (yzy) 0.00000002 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 21:34:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:34:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Ama2 (40) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.225561680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.820278845000001 2.656909340000000 c 0.000000000000000 -8.820278845000001 2.656909340000000 Atomic positions (fractional): 1 S 0.50327803164703 0.10543619022073 0.32460236494279 32.065 2 S 0.49672196835297 0.32460236494279 0.10543619022073 32.065 3 S 0.25000000000000 0.94909327640048 0.53090695910625 32.065 4 S 0.75000000000000 0.53090695910625 0.94909327640048 32.065 5 S 0.25000000000000 0.74653925830554 0.73221545240132 32.065 6 S 0.75000000000000 0.73221545240132 0.74653925830554 32.065 7 S 0.99672196835297 0.10543619022073 0.32460236494279 32.065 8 S 0.00327803164703 0.32460236494279 0.10543619022073 32.065 9 K 0.25000000000000 0.55339676529884 0.91848371262331 39.098 10 K 0.75000000000000 0.91848371262331 0.55339676529884 39.098 11 V 0.25000000000000 0.08804229852948 0.86722921307750 50.941 12 V 0.75000000000000 0.86722921307750 0.08804229852948 50.941 13 Cu 0.50000000000000 0.99555409931237 0.99555409931237 63.546 14 Cu 0.00000000000000 0.99555409931237 0.99555409931237 63.546 15 Cu 0.25000000000000 0.58557519359816 0.36877242170742 63.546 16 Cu 0.75000000000000 0.36877242170742 0.58557519359816 63.546 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.451123360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 17.640557690000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.627637360000000 Atomic positions (fractional): 1 S 0.25163901582351 0.89041691263897 0.10750963879088 32.065 > 1 2 S 0.75163901582351 0.89041691263897 0.10750963879088 32.065 > 1 3 S 0.25163901582351 0.89041691263897 0.60750963879088 32.065 > 1 4 S 0.75163901582351 0.89041691263897 0.60750963879088 32.065 > 1 5 S 0.24836098417649 0.60958308736103 0.35750963879088 32.065 > 5 6 S 0.74836098417649 0.60958308736103 0.35750963879088 32.065 > 5 7 S 0.24836098417649 0.60958308736103 0.85750963879088 32.065 > 5 8 S 0.74836098417649 0.60958308736103 0.85750963879088 32.065 > 5 9 S 0.12500000000000 0.70909315864711 0.12000005887668 32.065 > 9 10 S 0.62500000000000 0.70909315864711 0.12000005887668 32.065 > 9 11 S 0.12500000000000 0.70909315864711 0.62000005887668 32.065 > 9 12 S 0.62500000000000 0.70909315864711 0.62000005887668 32.065 > 9 13 S 0.37500000000000 0.79090684135289 0.37000005887668 32.065 > 13 14 S 0.87500000000000 0.79090684135289 0.37000005887668 32.065 > 13 15 S 0.37500000000000 0.79090684135289 0.87000005887668 32.065 > 13 16 S 0.87500000000000 0.79090684135289 0.87000005887668 32.065 > 13 17 S 0.12500000000000 0.50716190295211 0.11968867767671 32.065 > 17 18 S 0.62500000000000 0.50716190295211 0.11968867767671 32.065 > 17 19 S 0.12500000000000 0.50716190295211 0.61968867767671 32.065 > 17 20 S 0.62500000000000 0.50716190295211 0.61968867767671 32.065 > 17 21 S 0.37500000000000 0.99283809704789 0.36968867767671 32.065 > 21 22 S 0.87500000000000 0.99283809704789 0.36968867767671 32.065 > 21 23 S 0.37500000000000 0.99283809704789 0.86968867767671 32.065 > 21 24 S 0.87500000000000 0.99283809704789 0.86968867767671 32.065 > 21 25 S 0.49836098417649 0.89041691263897 0.10750963879088 32.065 > 25 26 S 0.99836098417649 0.89041691263897 0.10750963879088 32.065 > 25 27 S 0.49836098417649 0.89041691263897 0.60750963879088 32.065 > 25 28 S 0.99836098417649 0.89041691263897 0.60750963879088 32.065 > 25 29 S 0.00163901582351 0.60958308736103 0.35750963879088 32.065 > 29 30 S 0.50163901582351 0.60958308736103 0.35750963879088 32.065 > 29 31 S 0.00163901582351 0.60958308736103 0.85750963879088 32.065 > 29 32 S 0.50163901582351 0.60958308736103 0.85750963879088 32.065 > 29 33 S 0.25163901582351 0.39041691263897 0.35750963879088 32.065 > 1 34 S 0.75163901582351 0.39041691263897 0.35750963879088 32.065 > 1 35 S 0.25163901582351 0.39041691263897 0.85750963879088 32.065 > 1 36 S 0.75163901582351 0.39041691263897 0.85750963879088 32.065 > 1 37 S 0.24836098417649 0.10958308736103 0.10750963879088 32.065 > 5 38 S 0.74836098417649 0.10958308736103 0.10750963879088 32.065 > 5 39 S 0.24836098417649 0.10958308736103 0.60750963879088 32.065 > 5 40 S 0.74836098417649 0.10958308736103 0.60750963879088 32.065 > 5 41 S 0.12500000000000 0.20909315864711 0.37000005887668 32.065 > 9 42 S 0.62500000000000 0.20909315864711 0.37000005887668 32.065 > 9 43 S 0.12500000000000 0.20909315864711 0.87000005887668 32.065 > 9 44 S 0.62500000000000 0.20909315864711 0.87000005887668 32.065 > 9 45 S 0.37500000000000 0.29090684135289 0.12000005887668 32.065 > 13 46 S 0.87500000000000 0.29090684135289 0.12000005887668 32.065 > 13 47 S 0.37500000000000 0.29090684135289 0.62000005887668 32.065 > 13 48 S 0.87500000000000 0.29090684135289 0.62000005887668 32.065 > 13 49 S 0.12500000000000 0.00716190295211 0.36968867767671 32.065 > 17 50 S 0.62500000000000 0.00716190295211 0.36968867767671 32.065 > 17 51 S 0.12500000000000 0.00716190295211 0.86968867767671 32.065 > 17 52 S 0.62500000000000 0.00716190295211 0.86968867767671 32.065 > 17 53 S 0.37500000000000 0.49283809704789 0.11968867767671 32.065 > 21 54 S 0.87500000000000 0.49283809704789 0.11968867767671 32.065 > 21 55 S 0.37500000000000 0.49283809704789 0.61968867767671 32.065 > 21 56 S 0.87500000000000 0.49283809704789 0.61968867767671 32.065 > 21 57 S 0.49836098417649 0.39041691263897 0.35750963879088 32.065 > 25 58 S 0.99836098417649 0.39041691263897 0.35750963879088 32.065 > 25 59 S 0.49836098417649 0.39041691263897 0.85750963879088 32.065 > 25 60 S 0.99836098417649 0.39041691263897 0.85750963879088 32.065 > 25 61 S 0.00163901582351 0.10958308736103 0.10750963879088 32.065 > 29 62 S 0.50163901582351 0.10958308736103 0.10750963879088 32.065 > 29 63 S 0.00163901582351 0.10958308736103 0.60750963879088 32.065 > 29 64 S 0.50163901582351 0.10958308736103 0.60750963879088 32.065 > 29 65 K 0.12500000000000 0.81745652633777 0.36797011948054 39.098 > 65 66 K 0.62500000000000 0.81745652633777 0.36797011948054 39.098 > 65 67 K 0.12500000000000 0.81745652633777 0.86797011948054 39.098 > 65 68 K 0.62500000000000 0.81745652633777 0.86797011948054 39.098 > 65 69 K 0.37500000000000 0.68254347366223 0.11797011948054 39.098 > 69 70 K 0.87500000000000 0.68254347366223 0.11797011948054 39.098 > 69 71 K 0.37500000000000 0.68254347366223 0.61797011948054 39.098 > 69 72 K 0.87500000000000 0.68254347366223 0.61797011948054 39.098 > 69 73 K 0.12500000000000 0.31745652633777 0.11797011948054 39.098 > 65 74 K 0.62500000000000 0.31745652633777 0.11797011948054 39.098 > 65 75 K 0.12500000000000 0.31745652633777 0.61797011948054 39.098 > 65 76 K 0.62500000000000 0.31745652633777 0.61797011948054 39.098 > 65 77 K 0.37500000000000 0.18254347366223 0.36797011948054 39.098 > 69 78 K 0.87500000000000 0.18254347366223 0.36797011948054 39.098 > 69 79 K 0.37500000000000 0.18254347366223 0.86797011948054 39.098 > 69 80 K 0.87500000000000 0.18254347366223 0.86797011948054 39.098 > 69 81 V 0.12500000000000 0.61040654272599 0.23881787790175 50.941 > 81 82 V 0.62500000000000 0.61040654272599 0.23881787790175 50.941 > 81 83 V 0.12500000000000 0.61040654272599 0.73881787790175 50.941 > 81 84 V 0.62500000000000 0.61040654272599 0.73881787790175 50.941 > 81 85 V 0.37500000000000 0.88959345727401 0.48881787790175 50.941 > 85 86 V 0.87500000000000 0.88959345727401 0.48881787790175 50.941 > 85 87 V 0.37500000000000 0.88959345727401 0.98881787790175 50.941 > 85 88 V 0.87500000000000 0.88959345727401 0.98881787790175 50.941 > 85 89 V 0.12500000000000 0.11040654272599 0.48881787790175 50.941 > 81 90 V 0.62500000000000 0.11040654272599 0.48881787790175 50.941 > 81 91 V 0.12500000000000 0.11040654272599 0.98881787790175 50.941 > 81 92 V 0.62500000000000 0.11040654272599 0.98881787790175 50.941 > 81 93 V 0.37500000000000 0.38959345727401 0.23881787790175 50.941 > 85 94 V 0.87500000000000 0.38959345727401 0.23881787790175 50.941 > 85 95 V 0.37500000000000 0.38959345727401 0.73881787790175 50.941 > 85 96 V 0.87500000000000 0.38959345727401 0.73881787790175 50.941 > 85 97 Cu 0.25000000000000 0.00000000000000 0.49777704965619 63.546 > 97 98 Cu 0.75000000000000 0.00000000000000 0.49777704965619 63.546 > 97 99 Cu 0.25000000000000 0.00000000000000 0.99777704965619 63.546 > 97 100 Cu 0.75000000000000 0.00000000000000 0.99777704965619 63.546 > 97 101 Cu 0.00000000000000 0.00000000000000 0.49777704965619 63.546 > 101 102 Cu 0.50000000000000 0.00000000000000 0.49777704965619 63.546 > 101 103 Cu 0.00000000000000 0.00000000000000 0.99777704965619 63.546 > 101 104 Cu 0.50000000000000 0.00000000000000 0.99777704965619 63.546 > 101 105 Cu 0.12500000000000 0.60840138594537 0.48858690382639 63.546 > 105 106 Cu 0.62500000000000 0.60840138594537 0.48858690382639 63.546 > 105 107 Cu 0.12500000000000 0.60840138594537 0.98858690382639 63.546 > 105 108 Cu 0.62500000000000 0.60840138594537 0.98858690382639 63.546 > 105 109 Cu 0.37500000000000 0.89159861405463 0.23858690382639 63.546 > 109 110 Cu 0.87500000000000 0.89159861405463 0.23858690382639 63.546 > 109 111 Cu 0.37500000000000 0.89159861405463 0.73858690382639 63.546 > 109 112 Cu 0.87500000000000 0.89159861405463 0.73858690382639 63.546 > 109 113 Cu 0.25000000000000 0.50000000000000 0.24777704965619 63.546 > 97 114 Cu 0.75000000000000 0.50000000000000 0.24777704965619 63.546 > 97 115 Cu 0.25000000000000 0.50000000000000 0.74777704965619 63.546 > 97 116 Cu 0.75000000000000 0.50000000000000 0.74777704965619 63.546 > 97 117 Cu 0.00000000000000 0.50000000000000 0.24777704965619 63.546 > 101 118 Cu 0.50000000000000 0.50000000000000 0.24777704965619 63.546 > 101 119 Cu 0.00000000000000 0.50000000000000 0.74777704965619 63.546 > 101 120 Cu 0.50000000000000 0.50000000000000 0.74777704965619 63.546 > 101 121 Cu 0.12500000000000 0.10840138594537 0.23858690382639 63.546 > 105 122 Cu 0.62500000000000 0.10840138594537 0.23858690382639 63.546 > 105 123 Cu 0.12500000000000 0.10840138594537 0.73858690382639 63.546 > 105 124 Cu 0.62500000000000 0.10840138594537 0.73858690382639 63.546 > 105 125 Cu 0.37500000000000 0.39159861405463 0.48858690382639 63.546 > 109 126 Cu 0.87500000000000 0.39159861405463 0.48858690382639 63.546 > 109 127 Cu 0.37500000000000 0.39159861405463 0.98858690382639 63.546 > 109 128 Cu 0.87500000000000 0.39159861405463 0.98858690382639 63.546 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1104455 0.0000000 0.0000000 0.0000000 5.9601395 0.0000000 0.0000000 0.0000000 7.2412429 -------------------------- Born effective charges -------------------------- 1 S -1.5002356 -0.1788689 0.6851717 0.0794288 -0.0897706 0.0264593 1.1850250 0.2697208 -0.9635544 2 S -1.5002356 -0.1788689 -0.6851717 0.0794288 -0.0897706 -0.0264593 -1.1850250 -0.2697208 -0.9635544 3 S -0.2275624 0.0000000 0.0000000 0.0000000 -1.7791341 0.7957309 0.0000000 1.6428122 -1.4087452 4 S -0.2275624 0.0000000 0.0000000 0.0000000 -1.7791341 -0.7957309 0.0000000 -1.6428122 -1.4087452 5 S 0.0747486 0.0000000 0.0000000 0.0000000 -1.0722611 -0.6819542 0.0000000 -0.8255702 -0.5273470 6 S 0.0747486 0.0000000 0.0000000 0.0000000 -1.0722611 0.6819542 0.0000000 0.8255702 -0.5273470 7 S -1.5002356 0.1788689 -0.6851717 -0.0794288 -0.0897706 0.0264593 -1.1850250 0.2697208 -0.9635544 8 S -1.5002356 0.1788689 0.6851717 -0.0794288 -0.0897706 -0.0264593 1.1850250 -0.2697208 -0.9635544 9 K 1.4767355 0.0000000 0.0000000 0.0000000 1.6547024 0.0201045 0.0000000 -0.0080291 1.3270591 10 K 1.4767355 0.0000000 0.0000000 0.0000000 1.6547024 -0.0201045 0.0000000 0.0080291 1.3270591 11 V 1.3088846 0.0000000 0.0000000 0.0000000 1.1376508 -0.5625949 0.0000000 -0.8679872 2.3294838 12 V 1.3088846 0.0000000 0.0000000 0.0000000 1.1376508 0.5625949 0.0000000 0.8679872 2.3294838 13 Cu 0.1087565 0.1942724 0.0000000 0.1115202 -0.0172490 0.0000000 0.0000000 0.0000000 0.3761774 14 Cu 0.1087565 -0.1942724 0.0000000 -0.1115202 -0.0172490 0.0000000 0.0000000 0.0000000 0.3761774 15 Cu 0.2589083 0.0000000 0.0000000 0.0000000 0.2558323 0.0156351 0.0000000 0.0271894 -0.1695193 16 Cu 0.2589083 0.0000000 0.0000000 0.0000000 0.2558323 -0.0156351 0.0000000 -0.0271894 -0.1695193 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yzy) 0.00000002 (yzy) 0.00000002 (yyz) Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 297, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/124) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 124 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 1.309 ( 0.000 0.000 0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 1.724 ( 0.000 0.000 0.000) 0.000 1.996 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.442 ( 0.000 0.000 -0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 -0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 -0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.951 ( 0.000 0.000 -0.000) 0.000 5.299 ( 0.000 0.000 -0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.991 ( 0.000 0.000 0.000) 0.000 6.213 ( 0.000 0.000 0.000) 0.000 6.436 ( 0.000 0.000 0.000) 0.000 6.503 ( 0.000 0.000 -0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 6.794 ( 0.000 0.000 0.000) 0.000 7.208 ( 0.000 0.000 -0.000) 0.000 7.439 ( 0.000 0.000 -0.000) 0.000 8.063 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.347 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.981 ( 0.000 0.000 0.000) 0.000 9.085 ( 0.000 0.000 0.000) 0.000 9.234 ( 0.000 0.000 0.000) 0.000 9.281 ( 0.000 0.000 0.000) 0.000 9.467 ( 0.000 0.000 0.000) 0.000 9.553 ( 0.000 0.000 -0.000) 0.000 11.862 ( 0.000 0.000 0.000) 0.000 11.928 ( 0.000 0.000 0.000) 0.000 13.568 ( 0.000 0.000 0.000) 0.000 13.599 ( 0.000 0.000 0.000) 0.000 13.773 ( 0.000 0.000 -0.000) 0.000 13.840 ( 0.000 0.000 0.000) 0.000 14.516 ( 0.000 0.000 0.000) 0.000 14.678 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/124) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 14.965 0.000 0.000) 14.965 0.345 ( 17.481 0.000 0.000) 17.481 0.676 ( 31.017 0.000 0.000) 31.017 1.507 ( 4.696 0.000 0.000) 4.696 1.709 ( 0.768 0.000 0.000) 0.768 1.936 ( -4.456 0.000 0.000) 4.456 2.137 ( 2.380 0.000 0.000) 2.380 2.214 ( -2.469 0.000 0.000) 2.469 2.263 ( -0.209 0.000 0.000) 0.209 2.416 ( 1.350 0.000 0.000) 1.350 2.450 ( 0.873 0.000 0.000) 0.873 2.704 ( -1.277 0.000 0.000) 1.277 2.826 ( 0.277 0.000 0.000) 0.277 2.898 ( 0.927 0.000 0.000) 0.927 2.935 ( -0.271 0.000 0.000) 0.271 3.123 ( 1.888 0.000 0.000) 1.888 3.125 ( 0.192 0.000 0.000) 0.192 3.580 ( -6.227 0.000 0.000) 6.227 4.292 ( 6.401 0.000 0.000) 6.401 4.926 ( -2.459 0.000 0.000) 2.459 5.323 ( 2.321 0.000 0.000) 2.321 5.614 ( -1.956 0.000 0.000) 1.956 6.076 ( 1.815 0.000 0.000) 1.815 6.207 ( -0.576 0.000 0.000) 0.576 6.431 ( -0.388 0.000 0.000) 0.388 6.490 ( -1.193 0.000 0.000) 1.193 6.788 ( 0.972 0.000 0.000) 0.972 6.800 ( 0.632 0.000 0.000) 0.632 7.212 ( 0.472 0.000 0.000) 0.472 7.422 ( -1.639 0.000 0.000) 1.639 8.061 ( -0.191 0.000 0.000) 0.191 8.100 ( -0.682 0.000 0.000) 0.682 8.374 ( 2.025 0.000 0.000) 2.025 8.489 ( 0.233 0.000 0.000) 0.233 8.996 ( 1.463 0.000 0.000) 1.463 9.090 ( 0.586 0.000 0.000) 0.586 9.239 ( 0.197 0.000 0.000) 0.197 9.272 ( -0.706 0.000 0.000) 0.706 9.443 ( -2.354 0.000 0.000) 2.354 9.536 ( -1.727 0.000 0.000) 1.727 11.861 ( -0.077 0.000 0.000) 0.077 11.920 ( -0.781 0.000 0.000) 0.781 13.553 ( -1.415 0.000 0.000) 1.415 13.577 ( -1.913 0.000 0.000) 1.913 13.801 ( 2.580 0.000 0.000) 2.580 14.102 ( -1.269 0.000 0.000) 1.269 14.519 ( 0.338 0.000 0.000) 0.338 14.664 ( -1.354 0.000 0.000) 1.354 ======================= Grid point 2 (3/124) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 15.465 0.000 0.000) 15.465 0.685 ( 16.566 0.000 0.000) 16.566 1.129 ( 12.400 0.000 0.000) 12.400 1.647 ( -8.206 0.000 0.000) 8.206 1.686 ( 14.440 0.000 0.000) 14.440 1.899 ( 1.758 0.000 0.000) 1.758 2.158 ( -2.950 0.000 0.000) 2.950 2.174 ( 1.187 0.000 0.000) 1.187 2.249 ( -0.949 0.000 0.000) 0.949 2.434 ( -0.472 0.000 0.000) 0.472 2.478 ( 1.977 0.000 0.000) 1.977 2.661 ( -3.121 0.000 0.000) 3.121 2.858 ( 3.261 0.000 0.000) 3.261 2.914 ( 0.763 0.000 0.000) 0.763 2.928 ( -0.326 0.000 0.000) 0.326 3.121 ( -0.857 0.000 0.000) 0.857 3.171 ( 2.816 0.000 0.000) 2.816 3.439 ( -7.426 0.000 0.000) 7.426 4.442 ( 8.246 0.000 0.000) 8.246 4.857 ( -4.548 0.000 0.000) 4.548 5.381 ( 3.275 0.000 0.000) 3.275 5.565 ( -2.786 0.000 0.000) 2.786 6.117 ( 2.162 0.000 0.000) 2.162 6.193 ( -0.768 0.000 0.000) 0.768 6.423 ( -0.362 0.000 0.000) 0.362 6.461 ( -1.570 0.000 0.000) 1.570 6.810 ( 1.098 0.000 0.000) 1.098 6.815 ( 0.779 0.000 0.000) 0.779 7.229 ( 1.290 0.000 0.000) 1.290 7.377 ( -2.759 0.000 0.000) 2.759 8.058 ( -0.087 0.000 0.000) 0.087 8.084 ( -0.888 0.000 0.000) 0.888 8.423 ( 2.603 0.000 0.000) 2.603 8.493 ( 0.103 0.000 0.000) 0.103 9.042 ( 3.183 0.000 0.000) 3.183 9.109 ( 1.339 0.000 0.000) 1.339 9.222 ( -1.884 0.000 0.000) 1.884 9.270 ( 0.049 0.000 0.000) 0.049 9.384 ( -2.904 0.000 0.000) 2.904 9.488 ( -2.931 0.000 0.000) 2.931 11.860 ( 0.073 0.000 0.000) 0.073 11.901 ( -1.117 0.000 0.000) 1.117 13.520 ( -1.674 0.000 0.000) 1.674 13.535 ( -2.130 0.000 0.000) 2.130 13.864 ( 3.581 0.000 0.000) 3.581 14.064 ( -2.468 0.000 0.000) 2.468 14.531 ( 0.879 0.000 0.000) 0.879 14.629 ( -2.035 0.000 0.000) 2.035 ======================= Grid point 3 (4/124) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 11.495 0.000 0.000) 11.495 0.948 ( 6.540 0.000 0.000) 6.540 1.237 ( 4.259 0.000 0.000) 4.259 1.429 ( -12.470 0.000 0.000) 12.470 1.963 ( 3.650 0.000 0.000) 3.650 1.973 ( 7.950 0.000 0.000) 7.950 2.128 ( 2.729 0.000 0.000) 2.729 2.184 ( -0.301 0.000 0.000) 0.301 2.244 ( 1.375 0.000 0.000) 1.375 2.361 ( -7.171 0.000 0.000) 7.171 2.527 ( 2.879 0.000 0.000) 2.879 2.591 ( -3.587 0.000 0.000) 3.587 2.914 ( 0.762 0.000 0.000) 0.762 2.922 ( -0.323 0.000 0.000) 0.323 2.968 ( 5.703 0.000 0.000) 5.703 3.075 ( -4.163 0.000 0.000) 4.163 3.230 ( 3.201 0.000 0.000) 3.201 3.310 ( -5.217 0.000 0.000) 5.217 4.604 ( 7.898 0.000 0.000) 7.898 4.748 ( -6.467 0.000 0.000) 6.467 5.446 ( 3.221 0.000 0.000) 3.221 5.507 ( -2.998 0.000 0.000) 2.998 6.154 ( 1.495 0.000 0.000) 1.495 6.177 ( -0.887 0.000 0.000) 0.887 6.421 ( 0.210 0.000 0.000) 0.210 6.434 ( -1.081 0.000 0.000) 1.081 6.826 ( 0.464 0.000 0.000) 0.464 6.827 ( 0.338 0.000 0.000) 0.338 7.265 ( 2.334 0.000 0.000) 2.334 7.319 ( -2.990 0.000 0.000) 2.990 8.059 ( 0.252 0.000 0.000) 0.252 8.068 ( -0.654 0.000 0.000) 0.654 8.467 ( 1.733 0.000 0.000) 1.733 8.490 ( -0.573 0.000 0.000) 0.573 9.117 ( 3.965 0.000 0.000) 3.965 9.147 ( 2.834 0.000 0.000) 2.834 9.177 ( -2.495 0.000 0.000) 2.495 9.228 ( -4.266 0.000 0.000) 4.266 9.372 ( 1.779 0.000 0.000) 1.779 9.426 ( -3.195 0.000 0.000) 3.195 11.865 ( 0.480 0.000 0.000) 0.480 11.880 ( -0.936 0.000 0.000) 0.936 13.496 ( -0.570 0.000 0.000) 0.570 13.501 ( -1.074 0.000 0.000) 1.074 13.937 ( 3.694 0.000 0.000) 3.694 14.007 ( -3.306 0.000 0.000) 3.306 14.554 ( 1.485 0.000 0.000) 1.485 14.588 ( -1.964 0.000 0.000) 1.964 ======================= Grid point 7 (5/124) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 0.000 3.372 16.915) 17.248 0.401 ( 0.000 10.433 18.401) 21.153 1.010 ( 0.000 3.273 50.634) 50.740 1.339 ( 0.000 -2.240 3.641) 4.275 1.681 ( 0.000 -1.946 -0.435) 1.994 1.735 ( 0.000 0.337 0.848) 0.913 2.089 ( 0.000 1.005 -2.420) 2.621 2.160 ( 0.000 -1.765 15.083) 15.186 2.287 ( 0.000 -0.565 -2.040) 2.117 2.406 ( 0.000 -4.664 -0.035) 4.664 2.503 ( 0.000 6.097 -2.645) 6.646 2.662 ( 0.000 1.063 -4.067) 4.203 2.795 ( 0.000 2.199 -4.303) 4.832 2.886 ( 0.000 -0.412 -4.281) 4.301 2.930 ( 0.000 0.272 3.208) 3.220 3.127 ( 0.000 -1.702 2.538) 3.056 3.227 ( 0.000 5.764 1.331) 5.915 3.703 ( 0.000 -1.901 2.352) 3.024 4.213 ( 0.000 -0.042 -0.779) 0.780 4.942 ( 0.000 0.428 -1.221) 1.294 5.305 ( 0.000 0.119 0.607) 0.618 5.622 ( 0.000 -0.258 -1.376) 1.400 5.994 ( 0.000 -0.099 0.403) 0.415 6.220 ( 0.000 1.794 -0.314) 1.821 6.399 ( 0.000 0.049 -3.830) 3.830 6.522 ( 0.000 -0.681 -2.773) 2.855 6.779 ( 0.000 0.061 1.353) 1.355 6.808 ( 0.000 -0.049 1.463) 1.464 7.275 ( 0.000 -0.943 1.937) 2.154 7.449 ( 0.000 0.044 1.009) 1.010 8.063 ( 0.000 -0.033 -0.078) 0.085 8.107 ( 0.000 -0.034 -0.060) 0.069 8.348 ( 0.000 0.007 0.059) 0.059 8.482 ( 0.000 0.041 -0.518) 0.519 8.980 ( 0.000 -0.015 -0.095) 0.097 9.102 ( 0.000 0.006 1.656) 1.656 9.180 ( 0.000 -0.064 -3.438) 3.439 9.341 ( 0.000 -0.043 4.047) 4.047 9.470 ( 0.000 0.017 0.251) 0.251 9.544 ( 0.000 -0.011 -1.338) 1.338 11.866 ( 0.000 -0.207 0.550) 0.587 11.939 ( 0.000 0.275 0.915) 0.955 13.598 ( 0.000 -0.029 0.058) 0.064 13.701 ( 0.000 -1.144 0.274) 1.177 13.786 ( 0.000 -0.312 1.386) 1.421 13.840 ( 0.000 0.409 -0.046) 0.412 14.677 ( 0.000 -3.012 1.835) 3.527 14.879 ( 0.000 -1.554 -0.725) 1.715 ======================= Grid point 8 (6/124) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 8.196 6.365 15.304) 18.490 0.700 ( 18.597 1.791 13.442) 23.016 1.088 ( 10.624 1.135 39.698) 41.111 1.493 ( 8.837 -3.175 2.097) 9.621 1.715 ( 2.617 0.047 -0.249) 2.629 1.892 ( 10.428 -4.007 -9.203) 14.474 2.048 ( -4.032 0.887 4.688) 6.246 2.172 ( 1.088 -1.204 7.712) 7.880 2.279 ( -0.673 -0.108 -1.581) 1.722 2.402 ( -0.406 -3.553 -1.580) 3.910 2.471 ( -1.564 5.539 -2.335) 6.211 2.693 ( 1.290 1.462 0.043) 1.950 2.787 ( 0.421 0.899 -4.060) 4.180 2.890 ( -0.070 -0.134 -4.219) 4.222 2.930 ( -0.143 0.464 2.178) 2.231 3.141 ( 1.325 -1.924 2.403) 3.351 3.198 ( -1.510 4.318 3.177) 5.570 3.613 ( -7.459 -1.057 2.607) 7.972 4.291 ( 6.735 -0.181 -0.251) 6.742 4.918 ( -2.298 0.179 -0.908) 2.477 5.328 ( 2.122 0.236 0.331) 2.161 5.602 ( -1.831 -0.232 -1.285) 2.249 6.043 ( 3.445 -0.684 -1.088) 3.677 6.213 ( -0.685 1.157 -0.002) 1.344 6.395 ( -0.328 0.017 -3.755) 3.769 6.489 ( -2.412 -0.281 -1.637) 2.928 6.795 ( 1.269 0.027 1.050) 1.648 6.814 ( 0.625 -0.004 1.441) 1.570 7.257 ( -0.782 -0.185 3.006) 3.111 7.432 ( -1.592 -0.041 1.081) 1.925 8.061 ( -0.205 -0.000 -0.042) 0.209 8.100 ( -0.674 -0.058 -0.031) 0.678 8.372 ( 2.167 -0.007 -0.095) 2.169 8.485 ( 0.258 0.025 -0.486) 0.551 8.995 ( 1.491 -0.033 -0.084) 1.494 9.105 ( 0.446 -0.001 1.579) 1.641 9.183 ( 0.278 -0.073 -3.308) 3.321 9.332 ( -0.871 -0.045 3.842) 3.940 9.446 ( -2.310 0.035 0.286) 2.328 9.525 ( -1.786 0.087 -1.225) 2.168 11.865 ( -0.061 -0.194 0.553) 0.589 11.930 ( -0.821 0.234 0.896) 1.238 13.578 ( -1.772 -0.065 0.279) 1.795 13.608 ( -4.408 0.330 2.879) 5.275 13.813 ( 2.424 -0.115 1.240) 2.725 13.959 ( 5.462 -1.351 -5.491) 7.862 14.656 ( -2.241 -4.203 3.188) 5.732 14.732 ( -7.995 3.746 5.467) 10.385 ======================= Grid point 9 (7/124) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 12.205 2.353 10.109) 16.022 0.953 ( 8.907 0.574 16.585) 18.834 1.326 ( 8.647 -1.321 20.909) 22.665 1.710 ( 11.453 -3.058 5.037) 12.881 1.756 ( 2.236 2.497 5.085) 6.091 1.941 ( -3.409 -0.732 5.587) 6.586 2.043 ( 4.004 -0.898 -6.449) 7.644 2.190 ( 0.575 -1.352 2.711) 3.084 2.263 ( -0.799 1.728 0.314) 1.930 2.396 ( 0.078 -5.600 -2.562) 6.159 2.473 ( 1.248 6.264 -2.565) 6.882 2.662 ( -3.789 0.558 0.094) 3.831 2.832 ( 2.086 -1.226 -0.081) 2.421 2.880 ( -0.635 2.075 -3.636) 4.234 2.938 ( 2.233 0.866 0.022) 2.396 3.166 ( 0.498 -1.501 2.857) 3.265 3.192 ( 1.042 1.852 2.098) 2.986 3.449 ( -8.502 -0.404 1.350) 8.618 4.445 ( 8.322 -0.190 0.238) 8.327 4.853 ( -4.327 -0.021 -0.422) 4.347 5.381 ( 3.035 0.224 -0.158) 3.048 5.556 ( -2.647 -0.115 -1.026) 2.842 6.105 ( 2.742 -0.761 -0.771) 2.948 6.197 ( -0.851 0.402 0.207) 0.964 6.388 ( -0.235 0.005 -3.556) 3.564 6.443 ( -2.122 -0.102 -2.031) 2.939 6.821 ( 1.231 0.054 1.156) 1.689 6.829 ( 0.777 0.075 1.413) 1.614 7.257 ( 0.742 0.066 2.487) 2.596 7.389 ( -2.641 -0.056 1.240) 2.918 8.057 ( -0.085 0.027 -0.030) 0.094 8.083 ( -0.875 -0.026 -0.011) 0.875 8.422 ( 2.593 -0.005 -0.107) 2.595 8.489 ( 0.149 -0.009 -0.404) 0.431 9.041 ( 3.190 -0.048 -0.040) 3.191 9.122 ( 1.208 -0.013 1.308) 1.780 9.186 ( -0.250 -0.062 -2.493) 2.506 9.307 ( -1.966 -0.069 2.567) 3.234 9.390 ( -2.593 0.090 0.624) 2.669 9.478 ( -2.783 0.115 -1.055) 2.978 11.866 ( 0.120 -0.143 0.591) 0.620 11.909 ( -1.173 0.162 0.830) 1.446 13.538 ( -2.034 -0.141 0.853) 2.210 13.542 ( -2.443 0.423 1.347) 2.822 13.872 ( 3.328 -0.166 0.871) 3.444 14.013 ( 0.414 -1.082 -3.457) 3.646 14.598 ( -2.314 -1.670 4.909) 5.678 14.644 ( -2.516 2.062 1.291) 3.500 ======================= Grid point 10 (8/124) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 10.278 -0.150 6.888) 12.374 1.049 ( -0.733 -0.815 8.308) 8.380 1.452 ( 6.868 -0.302 19.465) 20.643 1.625 ( -9.121 0.418 15.896) 18.332 1.929 ( 2.932 -2.170 -2.059) 4.189 1.949 ( 2.369 0.772 -2.220) 3.337 2.144 ( 6.019 0.113 2.533) 6.532 2.198 ( 0.558 0.277 2.094) 2.185 2.268 ( 2.850 0.830 2.355) 3.789 2.379 ( -3.272 -2.780 1.683) 4.612 2.502 ( 1.913 3.318 -2.909) 4.809 2.568 ( -4.822 -0.406 -2.117) 5.282 2.842 ( -0.067 -0.999 -2.530) 2.721 2.864 ( -0.786 2.779 -3.787) 4.763 3.038 ( 6.533 0.453 2.958) 7.186 3.145 ( -3.093 -0.154 4.442) 5.415 3.226 ( 2.210 -0.019 0.128) 2.214 3.299 ( -5.924 -0.060 -0.593) 5.953 4.607 ( 7.821 -0.146 0.270) 7.827 4.747 ( -6.288 -0.097 0.013) 6.288 5.442 ( 2.995 -0.054 -0.594) 3.053 5.502 ( -2.823 0.190 -0.756) 2.928 6.149 ( 1.658 -0.938 -0.341) 1.936 6.179 ( -0.930 0.196 0.176) 0.967 6.389 ( 0.427 0.006 -3.197) 3.226 6.408 ( -1.409 -0.026 -2.662) 3.012 6.839 ( 0.482 -0.037 1.272) 1.360 6.841 ( 0.364 0.243 1.405) 1.472 7.285 ( 2.039 0.054 1.902) 2.789 7.334 ( -2.803 -0.001 1.504) 3.181 8.059 ( 0.250 0.024 -0.022) 0.252 8.068 ( -0.645 0.032 -0.006) 0.646 8.465 ( 1.676 -0.030 -0.187) 1.687 8.487 ( -0.515 -0.025 -0.295) 0.594 9.116 ( 3.862 -0.036 -0.075) 3.863 9.157 ( 2.647 -0.039 0.925) 2.805 9.168 ( -1.609 -0.026 -0.814) 1.803 9.237 ( -4.700 -0.081 0.837) 4.775 9.377 ( 1.236 0.116 0.496) 1.337 9.421 ( -2.818 0.113 -0.520) 2.868 11.872 ( 0.538 -0.054 0.664) 0.857 11.887 ( -0.996 0.067 0.749) 1.248 13.507 ( -0.832 0.045 1.041) 1.334 13.509 ( -0.938 0.157 0.751) 1.212 13.937 ( 3.186 -0.349 0.230) 3.214 13.992 ( -2.143 -0.621 -1.050) 2.466 14.580 ( 0.226 -0.559 2.333) 2.410 14.603 ( -1.607 0.673 1.380) 2.223 ======================= Grid point 14 (9/124) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 0.000 3.345 15.885) 16.234 0.806 ( 0.000 7.768 18.802) 20.343 1.407 ( 0.000 -2.919 4.777) 5.599 1.656 ( 0.000 -1.721 -1.363) 2.196 1.757 ( 0.000 -1.678 1.802) 2.462 1.855 ( 0.000 1.231 30.378) 30.403 1.997 ( 0.000 1.308 -7.841) 7.949 2.224 ( 0.000 -1.580 1.093) 1.921 2.345 ( 0.000 -0.391 -0.009) 0.392 2.377 ( 0.000 2.202 3.432) 4.078 2.583 ( 0.000 2.471 1.688) 2.993 2.627 ( 0.000 1.922 -0.284) 1.943 2.768 ( 0.000 -0.092 -7.712) 7.712 2.816 ( 0.000 0.693 10.733) 10.755 2.989 ( 0.000 0.116 2.893) 2.896 3.184 ( 0.000 -3.810 5.241) 6.479 3.283 ( 0.000 3.979 3.061) 5.021 3.769 ( 0.000 -2.057 6.331) 6.657 4.192 ( 0.000 -0.075 -1.347) 1.349 4.915 ( 0.000 0.336 -1.729) 1.761 5.320 ( 0.000 0.181 0.759) 0.780 5.577 ( 0.000 -0.470 -3.244) 3.278 6.004 ( 0.000 -0.166 0.667) 0.687 6.213 ( 0.000 1.015 -2.325) 2.537 6.307 ( 0.000 0.385 -4.887) 4.902 6.439 ( 0.000 -0.275 -5.734) 5.740 6.814 ( 0.000 0.120 2.187) 2.191 6.844 ( 0.000 -0.091 2.307) 2.308 7.314 ( 0.000 -0.286 2.487) 2.503 7.474 ( 0.000 0.067 1.535) 1.536 8.062 ( 0.000 0.043 -0.042) 0.060 8.106 ( 0.000 -0.209 0.087) 0.226 8.349 ( 0.000 0.009 0.131) 0.132 8.469 ( 0.000 0.064 -0.789) 0.792 8.977 ( 0.000 -0.021 -0.198) 0.199 9.121 ( 0.000 -0.171 -2.603) 2.609 9.145 ( 0.000 0.037 2.756) 2.756 9.415 ( 0.000 -0.048 3.691) 3.691 9.476 ( 0.000 0.029 0.370) 0.371 9.509 ( 0.000 0.094 -2.334) 2.336 11.880 ( 0.000 -0.246 0.961) 0.992 11.962 ( 0.000 0.208 1.231) 1.248 13.599 ( 0.000 0.402 -0.113) 0.418 13.700 ( 0.000 -0.909 0.199) 0.931 13.810 ( 0.000 -1.508 1.276) 1.976 13.850 ( 0.000 1.662 0.912) 1.896 14.700 ( 0.000 -0.983 1.765) 2.021 14.849 ( 0.000 -1.177 -1.507) 1.913 ======================= Grid point 15 (10/124) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 4.483 5.491 17.864) 19.219 0.923 ( 17.381 1.951 10.773) 20.541 1.459 ( 4.739 -2.621 4.558) 7.078 1.687 ( 2.968 -1.446 -1.338) 3.563 1.807 ( 4.071 -1.361 1.766) 4.641 1.897 ( 4.837 -0.046 22.346) 22.863 1.993 ( -0.593 1.723 -7.923) 8.130 2.231 ( 0.776 -1.929 3.340) 3.935 2.337 ( -0.653 -1.293 0.183) 1.460 2.379 ( 0.232 2.985 4.243) 5.193 2.514 ( -3.566 3.758 3.857) 6.459 2.706 ( 3.607 0.292 -3.782) 5.235 2.786 ( 1.349 0.535 -6.634) 6.791 2.812 ( 0.846 0.882 12.318) 12.378 2.978 ( -1.285 0.134 2.982) 3.250 3.190 ( 0.520 -3.287 4.152) 5.321 3.269 ( -1.089 3.317 3.901) 5.235 3.676 ( -7.890 -1.393 5.503) 9.720 4.282 ( 7.574 -0.382 -0.358) 7.592 4.897 ( -1.828 0.204 -1.381) 2.300 5.336 ( 1.533 0.203 0.329) 1.581 5.559 ( -1.635 -0.509 -3.106) 3.547 6.033 ( 2.503 -0.309 -0.024) 2.522 6.207 ( -0.566 0.889 -2.136) 2.382 6.305 ( -0.197 0.287 -4.856) 4.869 6.420 ( -1.685 -0.243 -5.194) 5.466 6.826 ( 1.149 0.120 2.097) 2.394 6.851 ( 0.614 -0.044 2.282) 2.364 7.310 ( -0.331 -0.143 2.724) 2.748 7.459 ( -1.480 0.010 1.620) 2.195 8.060 ( -0.163 0.053 -0.021) 0.173 8.099 ( -0.637 -0.168 0.100) 0.666 8.372 ( 2.053 0.006 0.031) 2.053 8.473 ( 0.323 0.038 -0.741) 0.809 8.992 ( 1.547 -0.033 -0.160) 1.556 9.127 ( 0.575 -0.157 -2.483) 2.553 9.147 ( 0.193 0.033 2.626) 2.634 9.400 ( -1.536 -0.062 3.274) 3.617 9.454 ( -2.032 0.059 0.602) 2.120 9.492 ( -1.561 0.139 -2.163) 2.671 11.879 ( -0.048 -0.236 0.961) 0.990 11.952 ( -0.885 0.185 1.209) 1.509 13.583 ( -1.441 0.338 0.123) 1.485 13.645 ( -3.891 -0.288 1.241) 4.094 13.841 ( 2.292 -0.885 1.729) 3.004 13.899 ( 3.666 0.329 -1.224) 3.879 14.684 ( -1.513 -1.184 1.841) 2.660 14.789 ( -5.020 -0.110 0.555) 5.051 ======================= Grid point 16 (11/124) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 7.460 3.140 15.140) 17.168 1.182 ( 7.021 -0.665 9.501) 11.832 1.578 ( 6.517 -1.069 3.814) 7.626 1.755 ( 3.153 -0.372 -1.995) 3.749 1.871 ( 2.317 -1.370 2.234) 3.498 1.960 ( -2.087 1.958 -7.472) 8.001 2.071 ( 10.969 -1.586 8.701) 14.091 2.254 ( 1.705 -2.444 8.184) 8.710 2.327 ( -0.244 -2.220 -0.164) 2.239 2.383 ( 0.087 2.642 9.660) 10.016 2.467 ( -0.950 5.093 0.862) 5.252 2.711 ( -2.114 0.868 3.988) 4.596 2.797 ( 0.173 0.300 -2.899) 2.920 2.904 ( 5.472 0.682 2.513) 6.060 2.938 ( -1.374 0.849 3.809) 4.138 3.199 ( 0.218 -1.776 1.666) 2.445 3.255 ( -0.168 1.091 4.954) 5.076 3.502 ( -9.157 -0.406 5.057) 10.469 4.448 ( 8.681 -0.468 0.426) 8.704 4.842 ( -3.744 -0.026 -0.622) 3.795 5.375 ( 2.246 0.066 -0.628) 2.333 5.520 ( -2.228 -0.374 -2.788) 3.588 6.086 ( 2.609 -0.546 -0.916) 2.819 6.192 ( -0.893 0.627 -1.847) 2.145 6.303 ( 0.099 0.110 -4.678) 4.680 6.380 ( -2.183 -0.188 -4.456) 4.966 6.852 ( 1.292 0.082 2.047) 2.421 6.866 ( 0.809 0.111 2.247) 2.390 7.309 ( 0.393 0.009 2.777) 2.805 7.419 ( -2.408 -0.044 1.821) 3.019 8.057 ( -0.058 0.061 0.018) 0.086 8.084 ( -0.838 -0.053 0.114) 0.848 8.419 ( 2.489 -0.013 -0.121) 2.492 8.479 ( 0.262 -0.010 -0.614) 0.668 9.040 ( 3.262 -0.041 -0.057) 3.263 9.142 ( 0.790 -0.111 -2.008) 2.161 9.155 ( 0.700 -0.004 2.151) 2.262 9.347 ( -3.973 -0.105 1.613) 4.290 9.411 ( -1.793 0.142 1.580) 2.394 9.453 ( -2.289 0.187 -1.667) 2.838 11.880 ( 0.190 -0.193 0.971) 1.008 11.930 ( -1.275 0.120 1.154) 1.724 13.550 ( -1.645 0.225 0.554) 1.750 13.574 ( -2.990 0.027 1.504) 3.347 13.893 ( 2.775 -0.570 1.449) 3.182 13.958 ( 1.943 -0.443 -1.676) 2.604 14.647 ( -2.002 -1.493 2.136) 3.286 14.694 ( -3.944 1.015 1.881) 4.486 ======================= Grid point 17 (12/124) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 7.273 0.364 11.824) 13.886 1.219 ( -2.356 -0.890 10.098) 10.407 1.690 ( 4.692 0.174 1.926) 5.075 1.776 ( -1.668 1.259 -1.922) 2.839 1.901 ( 0.832 -0.638 -0.671) 1.245 1.925 ( -0.867 1.286 -3.861) 4.160 2.216 ( 2.203 -4.321 5.519) 7.348 2.300 ( 0.170 -3.176 2.064) 3.791 2.351 ( 3.461 0.797 4.653) 5.853 2.398 ( 1.377 0.197 5.498) 5.672 2.491 ( 4.711 4.164 5.858) 8.593 2.636 ( -5.818 2.562 10.514) 12.286 2.805 ( 1.048 0.803 -1.917) 2.327 2.858 ( -3.329 1.830 0.238) 3.806 3.066 ( 7.578 -0.464 1.288) 7.701 3.185 ( -2.469 -0.687 0.551) 2.622 3.262 ( 0.931 -0.550 4.920) 5.037 3.338 ( -6.301 0.784 5.618) 8.478 4.612 ( 7.710 -0.353 0.544) 7.737 4.748 ( -5.837 -0.195 0.129) 5.842 5.419 ( 2.028 -0.629 -1.634) 2.679 5.476 ( -2.010 0.336 -2.254) 3.038 6.129 ( 1.531 -1.002 -1.394) 2.301 6.174 ( -0.895 0.713 -1.769) 2.106 6.313 ( 0.921 -0.032 -4.340) 4.437 6.340 ( -1.793 -0.116 -4.155) 4.527 6.871 ( 0.482 -0.107 2.083) 2.141 6.879 ( 0.429 0.402 2.236) 2.313 7.328 ( 1.593 0.018 2.477) 2.946 7.370 ( -2.446 -0.016 2.114) 3.233 8.059 ( 0.230 0.011 0.050) 0.236 8.069 ( -0.601 0.097 0.112) 0.619 8.461 ( 1.513 -0.069 -0.290) 1.542 8.479 ( -0.355 -0.015 -0.445) 0.569 9.115 ( 3.731 -0.010 -0.013) 3.731 9.151 ( -0.150 -0.037 -0.872) 0.886 9.177 ( 1.891 -0.090 1.249) 2.268 9.253 ( -5.095 -0.115 0.771) 5.154 9.392 ( -0.051 0.175 0.988) 1.005 9.410 ( -1.736 0.206 -0.595) 1.847 11.888 ( 0.642 -0.114 1.019) 1.209 11.906 ( -1.104 0.028 1.086) 1.549 13.526 ( -0.597 0.144 0.958) 1.138 13.532 ( -1.231 0.098 1.285) 1.782 13.943 ( 2.126 -0.608 0.651) 2.305 13.972 ( -0.461 -0.533 -0.543) 0.890 14.617 ( -0.803 -1.112 2.101) 2.509 14.641 ( -1.366 0.736 1.783) 2.364 ======================= Grid point 21 (13/124) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.000 3.630 13.891) 14.358 1.182 ( 0.000 4.049 17.108) 17.580 1.471 ( 0.000 -2.630 3.287) 4.210 1.585 ( 0.000 -1.324 -6.082) 6.224 1.766 ( 0.000 -2.811 -0.476) 2.851 1.874 ( 0.000 1.007 -3.190) 3.345 1.931 ( 0.000 0.404 -6.838) 6.850 2.273 ( 0.000 -0.691 -3.342) 3.413 2.331 ( 0.000 2.054 -0.979) 2.275 2.563 ( 0.000 1.274 -2.291) 2.621 2.591 ( 0.000 -0.527 -8.159) 8.176 2.672 ( 0.000 2.452 0.572) 2.518 2.694 ( 0.000 2.792 19.819) 20.015 3.003 ( 0.000 -1.479 4.501) 4.738 3.043 ( 0.000 0.168 2.729) 2.734 3.263 ( 0.000 -1.578 5.665) 5.881 3.528 ( 0.000 1.297 20.941) 20.981 3.944 ( 0.000 -1.660 14.375) 14.470 4.165 ( 0.000 -0.080 -1.454) 1.456 4.884 ( 0.000 0.256 -1.695) 1.714 5.333 ( 0.000 0.169 0.520) 0.546 5.488 ( 0.000 -0.540 -6.159) 6.183 6.016 ( 0.000 -0.174 0.683) 0.705 6.103 ( 0.000 0.112 -8.578) 8.579 6.264 ( 0.000 0.746 -1.291) 1.491 6.312 ( 0.000 0.202 -7.017) 7.019 6.857 ( 0.000 0.148 2.179) 2.184 6.888 ( 0.000 -0.106 2.220) 2.223 7.358 ( 0.000 -0.092 2.169) 2.171 7.503 ( 0.000 0.089 1.449) 1.452 8.063 ( 0.000 0.128 0.080) 0.151 8.108 ( 0.000 -0.284 0.298) 0.412 8.353 ( 0.000 0.007 0.183) 0.183 8.455 ( 0.000 0.060 -0.728) 0.730 8.973 ( 0.000 -0.016 -0.256) 0.257 9.080 ( 0.000 -0.155 -1.683) 1.690 9.203 ( 0.000 -0.059 3.195) 3.196 9.460 ( 0.000 0.101 -2.625) 2.627 9.477 ( 0.000 0.035 2.668) 2.668 9.483 ( 0.000 0.030 0.329) 0.331 11.898 ( 0.000 -0.184 1.043) 1.059 11.983 ( 0.000 0.026 0.928) 0.929 13.598 ( 0.000 0.403 -0.192) 0.446 13.698 ( 0.000 -0.540 0.099) 0.549 13.814 ( 0.000 -1.303 0.293) 1.335 13.890 ( 0.000 1.452 1.918) 2.405 14.728 ( 0.000 -0.226 1.470) 1.488 14.814 ( 0.000 -1.006 -1.437) 1.755 ======================= Grid point 22 (14/124) ======================= q-point: ( 0.14 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 11.873 1.989 10.259) 15.817 1.198 ( 1.943 3.127 15.823) 16.246 1.521 ( 4.613 -1.820 3.301) 5.958 1.610 ( 2.327 -1.204 -6.834) 7.319 1.791 ( 1.728 -1.748 -2.695) 3.648 1.868 ( -0.451 0.741 -2.134) 2.304 1.946 ( 2.650 -0.476 -4.862) 5.558 2.282 ( 0.732 -0.322 -2.611) 2.730 2.332 ( 0.156 1.886 -0.949) 2.117 2.547 ( -1.303 1.108 -2.029) 2.653 2.585 ( 0.002 1.542 -2.617) 3.037 2.696 ( 2.202 2.238 0.046) 3.140 2.740 ( 3.525 1.080 13.053) 13.563 2.988 ( -1.181 0.452 4.140) 4.329 3.048 ( 0.363 -1.938 3.443) 3.968 3.256 ( -0.669 -1.060 5.287) 5.433 3.519 ( -0.803 0.987 21.044) 21.083 3.830 ( -8.326 -0.843 12.124) 14.732 4.284 ( 8.871 -0.601 1.488) 9.015 4.871 ( -1.280 0.155 -1.373) 1.884 5.341 ( 0.688 0.150 0.035) 0.705 5.474 ( -1.313 -0.542 -5.901) 6.069 6.030 ( 1.233 -0.175 -0.264) 1.273 6.101 ( -0.189 0.127 -8.438) 8.442 6.261 ( -0.329 0.607 -1.243) 1.422 6.304 ( -0.675 0.167 -6.289) 6.328 6.868 ( 1.058 0.145 2.131) 2.384 6.894 ( 0.597 -0.071 2.192) 2.273 7.356 ( -0.161 -0.060 2.209) 2.216 7.489 ( -1.373 0.053 1.505) 2.038 8.061 ( -0.135 0.118 0.093) 0.202 8.102 ( -0.598 -0.221 0.299) 0.704 8.373 ( 1.907 0.002 0.105) 1.910 8.459 ( 0.400 0.034 -0.681) 0.790 8.989 ( 1.616 -0.024 -0.221) 1.631 9.088 ( 0.778 -0.139 -1.610) 1.794 9.201 ( -0.121 -0.043 3.020) 3.022 9.444 ( -2.622 -0.052 0.742) 2.725 9.449 ( -1.418 0.170 -2.039) 2.489 9.476 ( -1.001 0.083 1.774) 2.039 11.897 ( -0.051 -0.179 1.036) 1.053 11.974 ( -0.910 0.016 0.933) 1.304 13.586 ( -1.114 0.333 -0.001) 1.163 13.659 ( -3.110 -0.259 0.543) 3.168 13.852 ( 2.881 -1.529 0.285) 3.274 13.909 ( 1.778 1.313 1.331) 2.580 14.712 ( -1.531 -0.357 1.476) 2.156 14.782 ( -2.916 -0.673 -0.655) 3.064 ======================= Grid point 23 (15/124) ======================= q-point: ( 0.29 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 3.324 0.484 11.475) 11.957 1.324 ( 6.160 -0.071 6.107) 8.675 1.621 ( 4.329 -0.233 2.682) 5.098 1.662 ( 2.557 -0.450 -7.700) 8.126 1.806 ( 0.129 -0.570 -3.677) 3.723 1.857 ( -0.609 0.646 -3.367) 3.482 2.086 ( 10.764 -1.215 0.392) 10.839 2.294 ( 0.375 0.216 -1.318) 1.388 2.339 ( 0.427 1.559 -0.761) 1.787 2.514 ( -2.188 1.986 -0.899) 3.089 2.607 ( 2.411 2.286 -0.561) 3.370 2.745 ( 2.368 0.969 0.242) 2.570 2.800 ( 2.052 -0.265 6.222) 6.557 2.954 ( -2.479 2.150 3.712) 4.955 3.064 ( 1.547 -3.335 4.614) 5.900 3.240 ( -0.831 -0.229 4.203) 4.290 3.501 ( -0.875 0.411 21.009) 21.031 3.668 ( -7.533 0.086 13.725) 15.656 4.465 ( 8.983 -0.691 2.107) 9.253 4.831 ( -2.900 -0.071 -0.476) 2.939 5.357 ( 0.884 -0.045 -1.285) 1.560 5.443 ( -1.618 -0.378 -5.304) 5.558 6.055 ( 1.116 -0.196 -2.486) 2.732 6.096 ( -0.241 0.201 -7.929) 7.935 6.254 ( -0.239 0.228 -1.329) 1.370 6.288 ( -0.852 0.136 -4.363) 4.448 6.893 ( 1.228 0.073 2.059) 2.398 6.909 ( 0.847 0.080 2.138) 2.301 7.356 ( 0.306 -0.014 2.209) 2.230 7.453 ( -2.212 -0.004 1.647) 2.758 8.059 ( -0.023 0.088 0.128) 0.157 8.087 ( -0.799 -0.068 0.289) 0.852 8.418 ( 2.310 -0.022 -0.061) 2.310 8.468 ( 0.400 -0.008 -0.558) 0.686 9.038 ( 3.373 -0.028 -0.125) 3.376 9.109 ( 1.371 -0.097 -1.337) 1.918 9.199 ( -0.131 -0.036 2.337) 2.341 9.367 ( -4.813 -0.054 0.674) 4.860 9.420 ( -1.400 0.180 -1.714) 2.220 9.447 ( -1.729 0.146 1.857) 2.542 11.898 ( 0.200 -0.163 1.011) 1.043 11.951 ( -1.318 -0.015 0.945) 1.622 13.560 ( -1.264 0.199 0.395) 1.339 13.597 ( -2.844 -0.015 0.925) 2.991 13.909 ( 2.706 -1.353 0.609) 3.087 13.948 ( 1.745 0.696 0.474) 1.938 14.676 ( -1.903 -0.630 1.519) 2.515 14.717 ( -3.185 -0.128 0.515) 3.229 ======================= Grid point 24 (16/124) ======================= q-point: ( 0.43 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 1.993 -2.484 5.114) 6.025 1.391 ( 1.344 -0.064 7.259) 7.383 1.668 ( 0.781 0.432 -1.307) 1.583 1.695 ( 0.605 1.074 -4.050) 4.233 1.816 ( 0.879 -0.827 -3.620) 3.816 1.847 ( -0.454 0.308 -3.796) 3.835 2.274 ( 4.984 0.281 2.187) 5.450 2.301 ( 0.438 -0.031 -0.150) 0.464 2.360 ( 3.091 1.609 -0.387) 3.506 2.458 ( -3.543 2.726 -0.199) 4.475 2.680 ( 4.434 0.159 -0.473) 4.462 2.779 ( 0.991 -0.797 2.620) 2.912 2.807 ( -1.743 0.531 -1.856) 2.601 2.897 ( -2.208 2.704 6.366) 7.260 3.105 ( 1.883 -3.506 3.394) 5.231 3.223 ( -0.844 0.653 3.060) 3.241 3.492 ( 0.231 0.057 20.461) 20.463 3.550 ( -3.858 0.923 17.343) 17.790 4.629 ( 7.408 -0.536 1.714) 7.622 4.753 ( -5.076 -0.305 0.722) 5.137 5.372 ( 0.574 -0.678 -2.966) 3.096 5.416 ( -0.912 0.239 -4.369) 4.470 6.070 ( 0.375 -0.316 -4.831) 4.856 6.092 ( -0.107 0.374 -6.935) 6.946 6.253 ( 0.053 -0.254 -2.035) 2.052 6.274 ( -0.480 0.276 -2.091) 2.163 6.910 ( 0.453 -0.116 2.036) 2.089 6.923 ( 0.476 0.343 2.099) 2.179 7.372 ( 1.315 -0.015 2.062) 2.446 7.408 ( -2.166 -0.015 1.846) 2.846 8.061 ( 0.201 -0.008 0.170) 0.263 8.073 ( -0.542 0.126 0.266) 0.617 8.455 ( 1.285 -0.091 -0.250) 1.312 8.471 ( -0.142 0.008 -0.390) 0.415 9.114 ( 3.637 -0.002 -0.073) 3.637 9.136 ( 0.968 -0.035 -0.689) 1.188 9.199 ( 0.669 -0.088 1.055) 1.252 9.264 ( -5.192 -0.078 0.478) 5.215 9.402 ( -0.236 0.180 -0.235) 0.379 9.415 ( -1.275 0.215 1.144) 1.726 11.907 ( 0.681 -0.131 0.985) 1.204 11.925 ( -1.154 -0.059 0.957) 1.500 13.543 ( -0.291 0.105 0.762) 0.822 13.554 ( -1.384 0.072 0.984) 1.700 13.952 ( 1.455 -0.836 0.607) 1.784 13.969 ( 0.305 -0.064 0.384) 0.495 14.647 ( -0.811 -0.742 1.571) 1.918 14.670 ( -1.316 0.068 1.011) 1.661 ======================= Grid point 28 (17/124) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 0.000 3.584 9.368) 10.030 1.426 ( 0.000 -0.240 -6.350) 6.355 1.471 ( 0.000 0.143 11.551) 11.552 1.505 ( 0.000 -2.777 0.165) 2.782 1.730 ( 0.000 -0.785 -1.248) 1.475 1.819 ( 0.000 1.085 -4.923) 5.042 1.876 ( 0.000 -1.354 1.472) 2.000 2.191 ( 0.000 1.558 -3.951) 4.247 2.335 ( 0.000 2.781 -0.279) 2.795 2.436 ( 0.000 0.212 -6.841) 6.844 2.520 ( 0.000 -0.521 -2.531) 2.584 2.701 ( 0.000 1.126 0.788) 1.375 2.887 ( 0.000 -0.227 2.020) 2.033 3.039 ( 0.000 -1.355 1.991) 2.408 3.090 ( 0.000 0.208 1.993) 2.004 3.374 ( 0.000 -0.068 4.779) 4.780 3.928 ( 0.000 0.447 17.790) 17.796 4.141 ( 0.000 -0.051 -0.953) 0.955 4.290 ( 0.000 -0.599 20.732) 20.741 4.855 ( 0.000 0.091 -1.391) 1.394 5.333 ( 0.000 -0.341 -9.795) 9.801 5.341 ( 0.000 0.099 0.215) 0.237 5.941 ( 0.000 -0.039 -7.580) 7.580 6.026 ( 0.000 -0.112 0.429) 0.444 6.171 ( 0.000 -0.215 -5.652) 5.656 6.268 ( 0.000 0.870 -0.451) 0.980 6.892 ( 0.000 0.107 1.341) 1.345 6.921 ( 0.000 -0.075 1.323) 1.325 7.391 ( 0.000 -0.032 1.233) 1.234 7.526 ( 0.000 0.066 0.864) 0.866 8.066 ( 0.000 0.113 0.111) 0.158 8.113 ( 0.000 -0.195 0.297) 0.355 8.356 ( 0.000 0.003 0.142) 0.143 8.444 ( 0.000 0.035 -0.418) 0.420 8.968 ( 0.000 -0.008 -0.190) 0.190 9.056 ( 0.000 -0.095 -0.797) 0.803 9.260 ( 0.000 -0.116 2.754) 2.756 9.410 ( 0.000 0.135 -2.491) 2.494 9.488 ( 0.000 0.019 0.185) 0.186 9.518 ( 0.000 0.025 1.521) 1.521 11.914 ( 0.000 -0.092 0.689) 0.696 11.996 ( 0.000 -0.060 0.428) 0.432 13.596 ( 0.000 0.217 -0.135) 0.256 13.697 ( 0.000 -0.192 -0.006) 0.193 13.812 ( 0.000 -0.678 0.069) 0.682 13.928 ( 0.000 0.768 1.309) 1.517 14.750 ( 0.000 0.005 0.800) 0.800 14.787 ( 0.000 -0.598 -0.796) 0.996 ======================= Grid point 29 (18/124) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 3.860 2.364 5.652) 7.241 1.383 ( -2.405 -0.893 -3.052) 3.987 1.501 ( 3.539 -0.248 4.163) 5.469 1.570 ( 5.664 -1.706 1.788) 6.180 1.764 ( 2.962 -0.415 1.064) 3.174 1.830 ( 1.077 1.111 -1.844) 2.408 1.921 ( 5.177 -1.249 1.573) 5.553 2.208 ( 1.637 1.528 -4.477) 5.005 2.332 ( -0.161 2.759 -0.640) 2.837 2.450 ( 1.059 0.251 -6.401) 6.493 2.507 ( -0.847 -0.071 -3.295) 3.403 2.716 ( 1.231 1.017 0.506) 1.675 2.886 ( -0.157 -0.488 1.688) 1.764 3.050 ( 0.572 1.684 2.033) 2.701 3.078 ( -0.730 -2.814 1.919) 3.484 3.357 ( -1.617 -0.050 4.140) 4.445 3.921 ( -0.653 0.373 17.932) 17.948 4.061 ( -5.334 0.153 8.168) 9.756 4.393 ( 7.610 -0.645 12.348) 14.519 4.848 ( -0.735 0.036 -1.121) 1.342 5.322 ( -0.927 -0.321 -8.728) 8.783 5.341 ( -0.093 0.131 -1.020) 1.032 5.940 ( -0.013 -0.052 -7.504) 7.504 6.016 ( -0.987 -0.120 -1.240) 1.589 6.185 ( 1.234 -0.203 -4.138) 4.323 6.265 ( -0.301 0.784 -0.411) 0.935 6.903 ( 0.987 0.104 1.310) 1.643 6.927 ( 0.567 -0.060 1.300) 1.420 7.389 ( -0.137 -0.025 1.236) 1.243 7.513 ( -1.317 0.047 0.886) 1.588 8.064 ( -0.125 0.099 0.116) 0.198 8.107 ( -0.574 -0.149 0.292) 0.661 8.375 ( 1.795 -0.001 0.098) 1.798 8.449 ( 0.462 0.019 -0.389) 0.604 8.985 ( 1.669 -0.012 -0.169) 1.677 9.065 ( 0.889 -0.085 -0.764) 1.175 9.255 ( -0.546 -0.093 2.502) 2.563 9.403 ( -0.636 0.138 -2.192) 2.287 9.456 ( -3.008 0.006 0.292) 3.022 9.509 ( -1.047 0.047 1.348) 1.708 11.913 ( -0.069 -0.091 0.680) 0.690 11.987 ( -0.889 -0.061 0.445) 0.996 13.587 ( -0.888 0.175 -0.033) 0.906 13.664 ( -2.659 -0.093 0.190) 2.668 13.847 ( 2.884 -0.760 0.016) 2.983 13.941 ( 1.197 0.686 1.157) 1.800 14.733 ( -1.576 -0.068 0.807) 1.772 14.766 ( -1.987 -0.486 -0.507) 2.108 ======================= Grid point 30 (19/124) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -3.495 -2.188 -4.720) 6.267 1.401 ( 1.493 0.367 -1.644) 2.251 1.578 ( 4.285 -0.494 1.968) 4.741 1.685 ( 3.929 -0.442 1.145) 4.116 1.823 ( 2.179 0.209 4.974) 5.434 1.854 ( 1.532 1.140 4.671) 5.046 2.106 ( 12.579 -0.492 1.282) 12.654 2.248 ( 2.069 1.734 -3.990) 4.817 2.334 ( 0.443 2.475 -1.068) 2.732 2.451 ( -1.192 -0.675 -4.548) 4.750 2.517 ( 2.183 1.434 -6.396) 6.909 2.736 ( 0.469 0.811 -0.885) 1.289 2.874 ( -1.316 -0.983 1.754) 2.403 3.018 ( -2.666 1.482 1.145) 3.258 3.104 ( 2.300 -2.637 2.246) 4.158 3.315 ( -2.416 0.002 2.806) 3.703 3.905 ( -0.782 0.250 18.210) 18.228 3.968 ( -3.762 0.485 13.882) 14.391 4.549 ( 7.725 -0.654 7.966) 11.116 4.825 ( -1.677 -0.120 -0.087) 1.683 5.303 ( -0.886 -0.260 -7.815) 7.869 5.334 ( -0.655 0.199 -2.526) 2.617 5.942 ( 0.191 -0.080 -7.198) 7.201 5.992 ( -1.313 -0.125 -3.731) 3.957 6.211 ( 1.186 -0.180 -1.950) 2.290 6.259 ( -0.222 0.582 -0.383) 0.732 6.925 ( 1.131 0.047 1.250) 1.686 6.942 ( 0.853 0.027 1.251) 1.514 7.389 ( 0.253 -0.015 1.215) 1.241 7.478 ( -2.104 0.011 0.948) 2.308 8.062 ( -0.003 0.064 0.136) 0.151 8.093 ( -0.778 -0.042 0.274) 0.826 8.417 ( 2.151 -0.019 -0.007) 2.151 8.459 ( 0.512 -0.004 -0.313) 0.600 9.035 ( 3.458 -0.014 -0.112) 3.460 9.090 ( 1.663 -0.058 -0.647) 1.785 9.237 ( -1.210 -0.054 1.623) 2.025 9.375 ( -4.943 -0.016 0.259) 4.950 9.393 ( -0.228 0.145 -1.208) 1.238 9.477 ( -2.006 0.084 1.164) 2.320 11.913 ( 0.162 -0.090 0.647) 0.673 11.964 ( -1.289 -0.066 0.486) 1.379 13.567 ( -0.974 0.095 0.192) 0.998 13.610 ( -2.613 0.011 0.426) 2.648 13.908 ( 2.996 -0.750 0.105) 3.090 13.967 ( 1.161 0.420 0.846) 1.497 14.696 ( -1.931 -0.232 0.828) 2.113 14.719 ( -2.420 -0.268 0.039) 2.435 ======================= Grid point 31 (20/124) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -1.445 -3.599 -8.016) 8.905 1.416 ( 0.265 -0.248 -3.223) 3.243 1.662 ( 3.795 -0.342 0.682) 3.871 1.713 ( -0.869 -0.216 -0.184) 0.914 1.838 ( 0.081 0.432 6.497) 6.512 1.889 ( 1.173 1.740 8.705) 8.954 2.267 ( 1.061 1.391 -3.833) 4.213 2.322 ( 4.148 1.777 1.527) 4.764 2.360 ( 3.432 1.592 -0.841) 3.876 2.421 ( -1.642 0.226 -3.964) 4.297 2.592 ( 5.510 0.201 -6.041) 8.179 2.715 ( -3.460 0.387 -3.774) 5.135 2.835 ( -1.677 -1.715 1.677) 2.927 2.977 ( -1.135 1.198 1.402) 2.165 3.143 ( 1.286 -2.032 2.043) 3.155 3.273 ( -1.456 0.273 1.813) 2.341 3.895 ( -0.217 0.245 18.165) 18.168 3.917 ( -1.423 0.572 16.992) 17.061 4.686 ( 5.876 -0.541 4.955) 7.705 4.777 ( -3.381 -0.339 2.062) 3.975 5.293 ( -0.120 -0.170 -5.747) 5.751 5.318 ( -0.699 0.230 -5.318) 5.368 5.950 ( 0.635 -0.107 -6.508) 6.540 5.967 ( -1.105 -0.119 -5.467) 5.579 6.226 ( 0.379 -0.146 -0.695) 0.805 6.257 ( 0.004 0.403 -0.461) 0.612 6.941 ( 0.412 -0.073 1.215) 1.285 6.957 ( 0.490 0.175 1.211) 1.318 7.403 ( 1.164 -0.019 1.140) 1.629 7.436 ( -2.005 -0.005 1.043) 2.260 8.064 ( 0.184 -0.012 0.166) 0.248 8.079 ( -0.507 0.089 0.247) 0.571 8.451 ( 1.088 -0.067 -0.131) 1.097 8.466 ( 0.038 0.014 -0.207) 0.211 9.113 ( 3.559 -0.003 -0.086) 3.560 9.125 ( 1.561 -0.022 -0.379) 1.607 9.214 ( -0.407 -0.050 0.527) 0.668 9.270 ( -5.206 -0.029 0.214) 5.211 9.402 ( 1.137 0.132 0.035) 1.146 9.435 ( -2.057 0.122 0.801) 2.211 11.921 ( 0.648 -0.087 0.597) 0.885 11.939 ( -1.127 -0.074 0.536) 1.250 13.555 ( -0.089 0.040 0.404) 0.416 13.569 ( -1.397 0.048 0.514) 1.489 13.956 ( 1.729 -0.492 0.321) 1.826 13.979 ( -0.024 -0.002 0.547) 0.548 14.666 ( -0.824 -0.351 0.828) 1.219 14.682 ( -1.080 -0.131 0.404) 1.161 ======================= Grid point 35 (21/124) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.000 0.000 0.000) 0.000 1.419 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.769 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.111 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.131 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 -0.000 0.000) 0.000 5.196 ( 0.000 0.000 0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 -0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.113 ( 0.000 0.000 0.000) 0.000 6.267 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 6.934 ( 0.000 0.000 0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.116 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.440 ( 0.000 0.000 0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 9.048 ( 0.000 0.000 0.000) 0.000 9.291 ( 0.000 0.000 0.000) 0.000 9.381 ( 0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 9.533 ( 0.000 -0.000 0.000) 0.000 11.921 ( 0.000 0.000 0.000) 0.000 11.999 ( 0.000 0.000 0.000) 0.000 13.596 ( 0.000 0.000 0.000) 0.000 13.696 ( 0.000 0.000 0.000) 0.000 13.810 ( 0.000 0.000 0.000) 0.000 13.943 ( 0.000 0.000 0.000) 0.000 14.757 ( 0.000 0.000 0.000) 0.000 14.778 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 37 (22/124) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -2.494 0.000 0.000) 2.494 1.368 ( -1.860 0.000 0.000) 1.860 1.562 ( 7.931 0.000 0.000) 7.931 1.573 ( 0.355 -0.000 -0.000) 0.355 1.790 ( 4.986 0.000 0.000) 4.986 1.830 ( 6.207 0.000 0.000) 6.207 1.937 ( 5.249 0.000 0.000) 5.249 2.161 ( 0.128 0.000 0.000) 0.128 2.334 ( -0.495 0.000 0.000) 0.495 2.389 ( 1.588 0.000 0.000) 1.588 2.465 ( -1.736 0.000 0.000) 1.736 2.723 ( 0.773 0.000 0.000) 0.773 2.891 ( 0.090 0.000 0.000) 0.090 3.075 ( 1.747 0.000 0.000) 1.747 3.089 ( -2.260 -0.000 0.000) 2.260 3.394 ( -2.181 0.000 0.000) 2.181 4.106 ( -0.588 0.000 0.000) 0.588 4.120 ( -0.945 0.000 0.000) 0.945 4.583 ( 3.864 0.000 0.000) 3.864 4.835 ( -0.407 0.000 0.000) 0.407 5.190 ( -0.533 0.000 0.000) 0.533 5.337 ( -0.677 0.000 0.000) 0.677 5.861 ( 0.079 0.000 0.000) 0.079 5.998 ( -2.408 0.000 0.000) 2.408 6.147 ( 2.518 0.000 0.000) 2.518 6.263 ( -0.290 0.000 0.000) 0.290 6.916 ( 0.956 0.000 0.000) 0.956 6.940 ( 0.551 0.000 0.000) 0.551 7.401 ( -0.137 0.000 0.000) 0.137 7.522 ( -1.303 0.000 0.000) 1.303 8.066 ( -0.124 0.000 0.000) 0.124 8.110 ( -0.567 0.000 0.000) 0.567 8.376 ( 1.752 0.000 0.000) 1.752 8.445 ( 0.486 0.000 0.000) 0.486 8.983 ( 1.689 0.000 0.000) 1.689 9.057 ( 0.924 0.000 0.000) 0.924 9.282 ( -0.947 0.000 0.000) 0.947 9.378 ( -0.185 0.000 0.000) 0.185 9.459 ( -2.988 0.000 0.000) 2.988 9.522 ( -1.128 0.000 0.000) 1.128 11.920 ( -0.080 0.000 0.000) 0.080 11.990 ( -0.871 0.000 0.000) 0.871 13.587 ( -0.809 0.000 0.000) 0.809 13.666 ( -2.509 0.000 0.000) 2.509 13.845 ( 2.870 0.000 0.000) 2.870 13.955 ( 1.049 0.000 0.000) 1.049 14.740 ( -1.581 0.000 0.000) 1.581 14.760 ( -1.734 0.000 0.000) 1.734 ======================= Grid point 39 (23/124) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -5.828 0.000 0.000) 5.828 1.375 ( 0.353 0.000 0.000) 0.353 1.599 ( 2.796 0.000 0.000) 2.796 1.685 ( 3.007 0.000 0.000) 3.007 1.892 ( 3.771 0.000 0.000) 3.771 1.963 ( 6.233 0.000 0.000) 6.233 2.107 ( 9.658 0.000 0.000) 9.658 2.188 ( 4.752 0.000 0.000) 4.752 2.330 ( 0.087 0.000 0.000) 0.087 2.415 ( -0.577 0.000 -0.000) 0.577 2.433 ( 0.378 0.000 0.000) 0.378 2.728 ( -0.495 0.000 0.000) 0.495 2.887 ( -0.955 0.000 0.000) 0.955 3.030 ( -3.134 0.000 0.000) 3.134 3.118 ( 2.347 0.000 0.000) 2.347 3.341 ( -2.940 0.000 0.000) 2.940 4.090 ( -0.873 0.000 0.000) 0.873 4.101 ( -0.823 0.000 0.000) 0.823 4.676 ( 5.030 0.000 0.000) 5.030 4.825 ( -0.658 0.000 0.000) 0.658 5.183 ( 0.120 0.000 0.000) 0.120 5.312 ( -1.993 0.000 0.000) 1.993 5.866 ( 0.456 0.000 0.000) 0.456 5.950 ( -2.285 0.000 0.000) 2.285 6.193 ( 1.983 0.000 0.000) 1.983 6.257 ( -0.261 0.000 0.000) 0.261 6.938 ( 1.084 0.000 0.000) 1.084 6.954 ( 0.849 0.000 0.000) 0.849 7.401 ( 0.230 0.000 0.000) 0.230 7.487 ( -2.072 0.000 0.000) 2.072 8.064 ( 0.003 0.000 0.000) 0.003 8.096 ( -0.773 0.000 0.000) 0.773 8.417 ( 2.088 0.000 0.000) 2.088 8.456 ( 0.556 0.000 0.000) 0.556 9.034 ( 3.489 0.000 0.000) 3.489 9.084 ( 1.749 0.000 0.000) 1.749 9.254 ( -1.900 0.000 0.000) 1.900 9.377 ( -4.195 0.000 0.000) 4.195 9.381 ( -0.253 0.000 0.000) 0.253 9.489 ( -2.114 0.000 0.000) 2.114 11.920 ( 0.138 0.000 0.000) 0.138 11.968 ( -1.262 0.000 0.000) 1.262 13.569 ( -0.868 0.000 0.000) 0.868 13.614 ( -2.516 0.000 0.000) 2.516 13.907 ( 3.099 0.000 0.000) 3.099 13.977 ( 0.954 0.000 0.000) 0.954 14.703 ( -1.943 0.000 0.000) 1.943 14.719 ( -2.155 0.000 0.000) 2.155 ======================= Grid point 41 (24/124) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -2.289 0.000 0.000) 2.289 1.375 ( -0.098 -0.000 0.000) 0.098 1.662 ( 3.075 0.000 0.000) 3.075 1.704 ( -0.792 0.000 0.000) 0.792 1.933 ( 0.754 0.000 0.000) 0.754 2.047 ( 2.104 0.000 0.000) 2.104 2.184 ( 1.460 0.000 -0.000) 1.460 2.337 ( 1.299 0.000 0.000) 1.299 2.355 ( 4.105 -0.000 -0.000) 4.105 2.376 ( -1.930 0.000 0.000) 1.930 2.519 ( 8.687 0.000 0.000) 8.687 2.682 ( -5.216 0.000 0.000) 5.216 2.846 ( -2.104 0.000 0.000) 2.104 2.991 ( -0.767 0.000 0.000) 0.767 3.156 ( 1.231 0.000 0.000) 1.231 3.291 ( -1.633 0.000 0.000) 1.633 4.077 ( -0.391 0.000 0.000) 0.391 4.090 ( -0.298 0.000 0.000) 0.298 4.761 ( 3.219 0.000 0.000) 3.219 4.807 ( -1.242 0.000 0.000) 1.242 5.204 ( 2.103 0.000 0.000) 2.103 5.260 ( -3.054 0.000 0.000) 3.054 5.881 ( 1.069 0.000 0.000) 1.069 5.910 ( -1.732 0.000 0.000) 1.732 6.220 ( 0.690 0.000 0.000) 0.690 6.254 ( -0.062 0.000 0.000) 0.062 6.953 ( 0.392 0.000 0.000) 0.392 6.969 ( 0.491 0.000 0.000) 0.491 7.413 ( 1.111 0.000 0.000) 1.111 7.446 ( -1.951 0.000 0.000) 1.951 8.066 ( 0.180 0.000 0.000) 0.180 8.082 ( -0.498 0.000 0.000) 0.498 8.449 ( 1.012 0.000 0.000) 1.012 8.464 ( 0.107 0.000 0.000) 0.107 9.112 ( 3.525 0.000 0.000) 3.525 9.122 ( 1.735 0.000 0.000) 1.735 9.219 ( -0.801 0.000 0.000) 0.801 9.272 ( -5.212 0.000 0.000) 5.212 9.403 ( 1.656 0.000 0.000) 1.656 9.444 ( -2.301 0.000 0.000) 2.301 11.927 ( 0.619 0.000 0.000) 0.619 11.944 ( -1.099 0.000 0.000) 1.099 13.559 ( -0.018 0.000 0.000) 0.018 13.574 ( -1.389 0.000 0.000) 1.389 13.958 ( 1.911 0.000 0.000) 1.911 13.985 ( -0.235 0.000 0.000) 0.235 14.673 ( -0.847 0.000 0.000) 0.847 14.686 ( -0.963 0.000 0.000) 0.963 ======================= Grid point 84 (25/124) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 0.000 16.292) 16.292 0.759 ( 0.000 0.000 20.891) 20.891 1.425 ( 0.000 0.000 4.373) 4.373 1.662 ( 0.000 -0.000 -1.968) 1.968 1.772 ( 0.000 0.000 2.858) 2.858 1.847 ( 0.000 0.000 31.673) 31.673 1.988 ( 0.000 -0.000 -8.100) 8.100 2.231 ( 0.000 0.000 1.301) 1.301 2.336 ( 0.000 0.000 1.615) 1.615 2.381 ( 0.000 -0.000 -1.856) 1.856 2.566 ( 0.000 0.000 3.708) 3.708 2.616 ( 0.000 -0.000 -0.044) 0.044 2.769 ( 0.000 -0.000 -7.954) 7.954 2.812 ( 0.000 0.000 11.271) 11.271 2.989 ( 0.000 0.000 2.934) 2.934 3.221 ( 0.000 0.000 7.827) 7.827 3.244 ( 0.000 0.000 1.237) 1.237 3.782 ( 0.000 0.000 6.062) 6.062 4.193 ( 0.000 -0.000 -1.350) 1.350 4.913 ( 0.000 -0.000 -1.670) 1.670 5.319 ( 0.000 0.000 0.776) 0.776 5.580 ( 0.000 -0.000 -3.244) 3.244 6.005 ( 0.000 0.000 0.657) 0.657 6.207 ( 0.000 -0.000 -1.884) 1.884 6.305 ( 0.000 -0.000 -5.086) 5.086 6.440 ( 0.000 -0.000 -5.861) 5.861 6.813 ( 0.000 0.000 2.189) 2.189 6.845 ( 0.000 0.000 2.303) 2.303 7.316 ( 0.000 0.000 2.348) 2.348 7.473 ( 0.000 0.000 1.529) 1.529 8.062 ( 0.000 -0.000 -0.061) 0.061 8.107 ( 0.000 0.000 0.098) 0.098 8.349 ( 0.000 0.000 0.133) 0.133 8.469 ( 0.000 -0.000 -0.783) 0.783 8.978 ( 0.000 -0.000 -0.201) 0.201 9.122 ( 0.000 -0.000 -2.655) 2.655 9.145 ( 0.000 0.000 2.819) 2.819 9.415 ( 0.000 0.000 3.678) 3.678 9.476 ( 0.000 0.000 0.372) 0.372 9.508 ( 0.000 -0.000 -2.344) 2.344 11.881 ( 0.000 0.000 0.921) 0.921 11.960 ( 0.000 0.000 1.307) 1.307 13.596 ( 0.000 -0.000 -0.109) 0.109 13.705 ( 0.000 -0.000 -0.018) 0.018 13.824 ( 0.000 0.000 2.429) 2.429 13.835 ( 0.000 -0.000 -0.229) 0.229 14.706 ( 0.000 0.000 1.258) 1.258 14.856 ( 0.000 -0.000 -1.707) 1.707 ======================= Grid point 85 (26/124) ======================= q-point: ( 0.14 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 4.731 0.000 19.420) 19.988 0.912 ( 18.670 0.000 10.761) 21.549 1.475 ( 4.519 0.000 3.916) 5.979 1.694 ( 2.906 -0.000 -1.990) 3.522 1.816 ( 3.782 0.000 3.438) 5.111 1.899 ( 5.571 0.000 23.128) 23.790 1.980 ( -0.893 -0.000 -8.199) 8.248 2.241 ( 1.081 0.000 2.958) 3.150 2.338 ( 0.202 0.000 1.167) 1.185 2.374 ( -0.429 -0.000 -1.119) 1.199 2.488 ( -4.196 0.000 6.676) 7.885 2.705 ( 4.255 -0.000 -3.805) 5.708 2.782 ( 1.009 -0.000 -6.820) 6.894 2.806 ( 0.713 0.000 13.063) 13.083 2.977 ( -1.341 0.000 3.148) 3.421 3.229 ( 0.745 0.000 7.187) 7.225 3.229 ( -1.170 0.000 1.407) 1.830 3.685 ( -8.184 0.000 5.302) 9.751 4.284 ( 7.658 -0.000 -0.343) 7.666 4.896 ( -1.759 -0.000 -1.354) 2.219 5.335 ( 1.535 0.000 0.374) 1.580 5.563 ( -1.636 -0.000 -3.109) 3.513 6.035 ( 2.578 -0.000 -0.133) 2.581 6.202 ( -0.489 -0.000 -1.815) 1.879 6.303 ( -0.152 -0.000 -5.013) 5.016 6.422 ( -1.697 -0.000 -5.280) 5.546 6.826 ( 1.150 0.000 2.097) 2.391 6.851 ( 0.587 0.000 2.287) 2.361 7.311 ( -0.401 0.000 2.677) 2.707 7.459 ( -1.452 0.000 1.599) 2.160 8.060 ( -0.169 -0.000 -0.033) 0.172 8.100 ( -0.660 0.000 0.104) 0.669 8.372 ( 2.055 0.000 0.032) 2.055 8.472 ( 0.336 -0.000 -0.737) 0.810 8.993 ( 1.552 -0.000 -0.166) 1.561 9.128 ( 0.566 -0.000 -2.537) 2.600 9.147 ( 0.198 0.000 2.685) 2.692 9.401 ( -1.526 0.000 3.266) 3.604 9.454 ( -2.051 0.000 0.603) 2.138 9.492 ( -1.582 -0.000 -2.160) 2.677 11.880 ( -0.055 0.000 0.924) 0.925 11.951 ( -0.871 0.000 1.279) 1.547 13.581 ( -1.409 0.000 0.127) 1.415 13.646 ( -4.060 0.000 1.258) 4.251 13.846 ( 2.045 0.000 2.182) 2.991 13.897 ( 4.123 -0.000 -1.918) 4.547 14.692 ( -1.366 0.000 1.237) 1.843 14.789 ( -5.550 0.000 0.979) 5.635 ======================= Grid point 86 (27/124) ======================= q-point: ( 0.29 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 8.341 0.000 15.748) 17.820 1.185 ( 7.456 0.000 9.629) 12.178 1.586 ( 5.956 0.000 3.260) 6.790 1.757 ( 2.725 -0.000 -2.136) 3.463 1.881 ( 2.447 0.000 1.593) 2.920 1.947 ( -2.378 -0.000 -6.513) 6.933 2.080 ( 11.779 0.000 10.539) 15.806 2.271 ( 1.942 0.000 6.208) 6.504 2.336 ( -0.810 0.000 2.338) 2.474 2.382 ( 1.603 0.000 1.453) 2.163 2.425 ( -1.939 0.000 5.790) 6.106 2.707 ( -2.683 0.000 4.790) 5.490 2.795 ( 0.225 -0.000 -3.967) 3.974 2.899 ( 5.940 0.000 2.794) 6.564 2.933 ( -1.857 0.000 4.740) 5.091 3.211 ( -0.583 0.000 0.855) 1.035 3.246 ( 0.929 0.000 5.836) 5.910 3.504 ( -9.478 0.000 4.945) 10.691 4.451 ( 8.661 0.000 0.450) 8.672 4.842 ( -3.681 -0.000 -0.621) 3.733 5.374 ( 2.349 -0.000 -0.551) 2.412 5.522 ( -2.339 -0.000 -2.780) 3.633 6.090 ( 2.707 -0.000 -1.113) 2.927 6.188 ( -0.836 -0.000 -1.751) 1.940 6.302 ( 0.145 -0.000 -4.737) 4.739 6.381 ( -2.198 -0.000 -4.487) 4.997 6.852 ( 1.333 0.000 2.062) 2.455 6.865 ( 0.730 0.000 2.256) 2.371 7.309 ( 0.366 0.000 2.796) 2.820 7.419 ( -2.402 0.000 1.801) 3.002 8.057 ( -0.057 0.000 0.019) 0.060 8.084 ( -0.878 0.000 0.111) 0.885 8.420 ( 2.499 -0.000 -0.119) 2.502 8.479 ( 0.274 -0.000 -0.617) 0.675 9.040 ( 3.260 -0.000 -0.067) 3.261 9.142 ( 0.771 -0.000 -2.043) 2.183 9.155 ( 0.718 0.000 2.180) 2.295 9.348 ( -3.967 0.000 1.593) 4.275 9.410 ( -1.812 0.000 1.601) 2.418 9.451 ( -2.298 -0.000 -1.661) 2.835 11.881 ( 0.171 0.000 0.947) 0.962 11.929 ( -1.249 0.000 1.207) 1.737 13.549 ( -1.616 0.000 0.565) 1.712 13.574 ( -3.029 0.000 1.549) 3.402 13.896 ( 2.751 0.000 1.604) 3.184 13.961 ( 2.038 -0.000 -2.082) 2.914 14.658 ( -1.790 0.000 1.272) 2.196 14.685 ( -4.267 0.000 2.882) 5.149 ======================= Grid point 87 (28/124) ======================= q-point: ( 0.43 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 8.056 0.000 11.946) 14.409 1.224 ( -2.676 0.000 9.837) 10.194 1.690 ( 4.723 0.000 2.007) 5.132 1.768 ( -2.284 -0.000 -1.500) 2.733 1.910 ( 0.482 -0.000 -1.501) 1.576 1.912 ( -0.455 -0.000 -2.737) 2.775 2.251 ( 3.614 0.000 3.413) 4.971 2.302 ( -2.259 0.000 5.181) 5.652 2.354 ( 5.294 0.000 1.553) 5.517 2.404 ( -0.950 -0.000 -0.410) 1.035 2.458 ( 7.498 0.000 11.827) 14.004 2.621 ( -6.497 0.000 11.266) 13.005 2.802 ( 0.917 -0.000 -1.543) 1.795 2.847 ( -3.695 0.000 0.154) 3.698 3.068 ( 8.183 0.000 2.022) 8.429 3.189 ( -2.811 0.000 0.021) 2.812 3.265 ( 1.271 0.000 5.043) 5.201 3.333 ( -6.775 0.000 5.548) 8.757 4.615 ( 7.672 0.000 0.565) 7.692 4.749 ( -5.798 0.000 0.134) 5.800 5.423 ( 2.535 -0.000 -1.518) 2.955 5.474 ( -2.522 -0.000 -2.262) 3.388 6.136 ( 1.968 -0.000 -1.653) 2.570 6.168 ( -1.267 -0.000 -1.794) 2.196 6.313 ( 0.958 -0.000 -4.320) 4.425 6.341 ( -1.820 -0.000 -4.156) 4.537 6.872 ( 0.631 0.000 2.143) 2.234 6.876 ( 0.262 0.000 2.217) 2.232 7.328 ( 1.606 0.000 2.496) 2.968 7.370 ( -2.464 0.000 2.114) 3.246 8.059 ( 0.280 0.000 0.066) 0.288 8.068 ( -0.668 0.000 0.099) 0.675 8.461 ( 1.545 -0.000 -0.284) 1.571 8.479 ( -0.376 -0.000 -0.457) 0.592 9.115 ( 3.717 -0.000 -0.021) 3.717 9.151 ( -0.175 -0.000 -0.876) 0.893 9.178 ( 1.923 0.000 1.245) 2.291 9.253 ( -5.090 0.000 0.753) 5.145 9.391 ( -0.050 0.000 1.014) 1.015 9.409 ( -1.744 -0.000 -0.598) 1.844 11.888 ( 0.619 0.000 1.019) 1.192 11.905 ( -1.079 0.000 1.115) 1.551 13.525 ( -0.579 0.000 0.974) 1.133 13.531 ( -1.244 0.000 1.311) 1.807 13.947 ( 2.186 0.000 0.662) 2.284 13.975 ( -0.509 -0.000 -0.740) 0.899 14.630 ( -0.910 0.000 1.608) 1.847 14.631 ( -1.252 0.000 2.386) 2.694 ======================= Grid point 91 (29/124) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.000 1.419 14.068) 14.139 1.149 ( 0.000 1.545 19.369) 19.430 1.494 ( 0.000 -1.126 3.151) 3.347 1.590 ( 0.000 0.015 -6.634) 6.634 1.808 ( 0.000 -4.004 -2.353) 4.645 1.851 ( 0.000 2.871 -1.065) 3.062 1.927 ( 0.000 0.275 -7.386) 7.391 2.286 ( 0.000 -1.407 -4.331) 4.554 2.310 ( 0.000 1.665 -1.520) 2.254 2.552 ( 0.000 0.550 -1.809) 1.890 2.598 ( 0.000 -0.585 -9.098) 9.117 2.648 ( 0.000 1.426 1.780) 2.281 2.670 ( 0.000 1.205 21.509) 21.543 3.015 ( 0.000 -0.621 5.550) 5.585 3.042 ( 0.000 0.019 2.733) 2.733 3.276 ( 0.000 -0.665 3.802) 3.860 3.515 ( 0.000 0.722 22.069) 22.080 3.958 ( 0.000 -0.735 13.883) 13.902 4.165 ( 0.000 -0.029 -1.468) 1.469 4.882 ( 0.000 0.106 -1.616) 1.619 5.332 ( 0.000 0.064 0.556) 0.559 5.493 ( 0.000 -0.233 -6.232) 6.236 6.018 ( 0.000 -0.066 0.654) 0.658 6.102 ( 0.000 0.071 -8.416) 8.416 6.258 ( 0.000 0.301 -0.663) 0.728 6.310 ( 0.000 0.087 -7.602) 7.602 6.856 ( 0.000 0.053 2.196) 2.197 6.888 ( 0.000 -0.037 2.205) 2.205 7.359 ( 0.000 -0.060 2.119) 2.120 7.503 ( 0.000 0.050 1.453) 1.454 8.062 ( 0.000 0.034 0.079) 0.086 8.111 ( 0.000 -0.094 0.261) 0.278 8.352 ( 0.000 0.002 0.185) 0.185 8.454 ( 0.000 0.023 -0.715) 0.716 8.973 ( 0.000 -0.006 -0.261) 0.261 9.081 ( 0.000 -0.059 -1.712) 1.713 9.203 ( 0.000 -0.026 3.228) 3.228 9.459 ( 0.000 0.027 -2.737) 2.737 9.477 ( 0.000 0.022 2.763) 2.763 9.482 ( 0.000 0.011 0.335) 0.335 11.899 ( 0.000 -0.077 0.992) 0.995 11.983 ( 0.000 0.016 0.998) 0.998 13.595 ( 0.000 0.151 -0.099) 0.180 13.703 ( 0.000 -0.211 -0.129) 0.247 13.827 ( 0.000 -0.795 -0.207) 0.821 13.876 ( 0.000 0.852 2.447) 2.591 14.730 ( 0.000 -0.072 1.245) 1.248 14.822 ( 0.000 -0.422 -1.650) 1.703 ======================= Grid point 92 (30/124) ======================= q-point: ( 0.14 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 13.172 0.725 9.859) 16.469 1.172 ( 2.429 1.262 18.074) 18.281 1.536 ( 3.978 -0.764 3.138) 5.124 1.616 ( 2.390 -0.177 -7.286) 7.670 1.814 ( 0.070 -1.796 -5.013) 5.326 1.856 ( 0.283 1.112 -0.114) 1.154 1.949 ( 3.443 -0.073 -5.118) 6.169 2.293 ( 0.433 -1.389 -2.829) 3.181 2.311 ( 0.265 1.782 -1.996) 2.689 2.537 ( -1.430 0.534 -1.078) 1.868 2.574 ( -0.774 0.464 -0.945) 1.307 2.675 ( 2.540 1.131 0.706) 2.869 2.732 ( 4.286 0.375 12.207) 12.943 2.984 ( -2.070 0.188 3.695) 4.240 3.066 ( 1.314 -0.852 4.737) 4.989 3.264 ( -1.083 -0.410 3.823) 3.995 3.509 ( -0.531 0.550 21.825) 21.839 3.837 ( -8.714 -0.389 11.590) 14.506 4.289 ( 9.003 -0.249 1.554) 9.139 4.870 ( -1.203 0.066 -1.320) 1.787 5.339 ( 0.721 0.051 0.079) 0.727 5.478 ( -1.336 -0.225 -6.011) 6.161 6.032 ( 1.243 -0.075 -0.309) 1.283 6.099 ( -0.205 0.078 -8.273) 8.276 6.256 ( -0.209 0.239 -0.684) 0.754 6.303 ( -0.658 0.079 -6.850) 6.882 6.867 ( 1.064 0.052 2.149) 2.399 6.894 ( 0.567 -0.026 2.191) 2.263 7.357 ( -0.188 -0.043 2.183) 2.191 7.489 ( -1.345 0.033 1.499) 2.014 8.060 ( -0.129 0.032 0.096) 0.164 8.104 ( -0.646 -0.071 0.267) 0.702 8.373 ( 1.912 0.000 0.108) 1.915 8.459 ( 0.417 0.014 -0.673) 0.792 8.989 ( 1.620 -0.009 -0.229) 1.636 9.089 ( 0.765 -0.053 -1.638) 1.808 9.202 ( -0.130 -0.020 3.047) 3.050 9.445 ( -2.746 -0.057 0.954) 2.908 9.447 ( -1.295 0.095 -2.284) 2.627 9.475 ( -1.027 0.037 1.808) 2.080 11.899 ( -0.056 -0.074 0.987) 0.991 11.974 ( -0.901 0.011 0.997) 1.344 13.583 ( -1.064 0.125 0.079) 1.075 13.661 ( -3.252 -0.098 0.449) 3.285 13.868 ( 3.072 -1.243 -0.391) 3.337 13.894 ( 1.794 1.156 1.894) 2.853 14.715 ( -1.421 -0.128 1.216) 1.875 14.787 ( -3.166 -0.280 -0.676) 3.249 ======================= Grid point 93 (31/124) ======================= q-point: ( 0.29 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 4.447 0.172 14.409) 15.081 1.324 ( 6.802 0.021 4.560) 8.189 1.624 ( 3.856 -0.151 3.121) 4.963 1.665 ( 2.002 -0.124 -8.231) 8.472 1.811 ( 0.057 -0.277 -4.129) 4.139 1.851 ( -0.518 0.289 -3.472) 3.522 2.095 ( 10.455 -0.437 -0.493) 10.476 2.299 ( 0.335 -0.882 -1.192) 1.520 2.320 ( 0.420 1.465 -1.830) 2.381 2.497 ( -2.636 0.830 0.169) 2.769 2.589 ( 2.514 0.787 0.295) 2.651 2.735 ( 3.210 0.500 -1.027) 3.407 2.804 ( 2.600 -0.283 8.491) 8.885 2.936 ( -3.095 0.902 2.715) 4.215 3.092 ( 1.709 -1.388 5.756) 6.163 3.241 ( -1.228 0.062 3.392) 3.608 3.497 ( -0.614 0.233 21.171) 21.181 3.667 ( -7.949 -0.003 13.405) 15.585 4.470 ( 8.945 -0.272 2.112) 9.195 4.832 ( -2.799 -0.022 -0.458) 2.836 5.358 ( 1.067 -0.050 -1.240) 1.637 5.446 ( -1.798 -0.124 -5.468) 5.757 6.058 ( 1.174 -0.119 -2.537) 2.799 6.094 ( -0.316 0.126 -7.781) 7.789 6.253 ( -0.030 0.070 -0.866) 0.869 6.287 ( -0.881 0.088 -4.924) 5.003 6.893 ( 1.318 0.011 2.085) 2.467 6.908 ( 0.721 0.044 2.161) 2.278 7.357 ( 0.291 -0.016 2.213) 2.232 7.453 ( -2.193 0.005 1.631) 2.733 8.059 ( -0.004 0.021 0.143) 0.144 8.088 ( -0.871 -0.013 0.271) 0.913 8.418 ( 2.328 -0.011 -0.058) 2.329 8.468 ( 0.410 -0.001 -0.562) 0.695 9.038 ( 3.370 -0.010 -0.134) 3.373 9.110 ( 1.350 -0.037 -1.358) 1.915 9.199 ( -0.124 -0.017 2.347) 2.351 9.368 ( -4.806 -0.021 0.645) 4.850 9.419 ( -1.409 0.063 -1.712) 2.218 9.446 ( -1.756 0.061 1.907) 2.593 11.899 ( 0.189 -0.067 0.972) 0.992 11.951 ( -1.301 -0.002 0.991) 1.636 13.559 ( -1.215 0.076 0.451) 1.298 13.597 ( -2.904 -0.005 0.915) 3.045 13.924 ( 2.381 -1.234 0.833) 2.808 13.938 ( 2.214 0.980 0.040) 2.421 14.681 ( -1.750 -0.289 1.197) 2.140 14.717 ( -3.414 -0.005 0.746) 3.494 ======================= Grid point 94 (32/124) ======================= q-point: ( 0.43 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 3.753 -1.596 8.666) 9.578 1.386 ( 0.223 0.619 5.397) 5.437 1.668 ( 0.861 -0.255 -0.400) 0.984 1.683 ( -0.001 0.820 -4.892) 4.960 1.824 ( 1.033 -0.484 -3.975) 4.136 1.843 ( -0.431 0.294 -4.513) 4.543 2.271 ( 4.517 0.190 0.487) 4.547 2.308 ( -0.381 -0.781 -0.958) 1.293 2.343 ( 3.929 1.224 -0.169) 4.119 2.434 ( -3.798 1.218 0.912) 4.091 2.678 ( 6.260 0.097 -0.778) 6.309 2.781 ( 0.044 0.328 -2.440) 2.462 2.821 ( -1.394 -2.646 5.202) 6.000 2.863 ( -2.591 3.135 6.080) 7.315 3.140 ( 2.822 -2.191 3.956) 5.331 3.210 ( -1.937 1.090 2.650) 3.458 3.493 ( 0.575 -0.088 20.185) 20.194 3.542 ( -4.340 0.463 17.437) 17.975 4.633 ( 7.329 -0.208 1.719) 7.531 4.755 ( -4.990 -0.112 0.733) 5.045 5.380 ( 1.157 -0.504 -2.997) 3.252 5.412 ( -1.496 0.335 -4.492) 4.746 6.075 ( 0.565 -0.367 -4.960) 5.006 6.088 ( -0.306 0.379 -6.730) 6.747 6.256 ( 0.359 -0.245 -1.592) 1.650 6.270 ( -0.703 0.271 -2.706) 2.809 6.913 ( 0.590 -0.255 2.086) 2.183 6.919 ( 0.321 0.337 2.126) 2.176 7.372 ( 1.328 -0.011 2.071) 2.460 7.408 ( -2.175 -0.003 1.839) 2.848 8.061 ( 0.307 -0.033 0.199) 0.368 8.072 ( -0.671 0.079 0.254) 0.722 8.456 ( 1.357 -0.050 -0.244) 1.380 8.471 ( -0.202 0.018 -0.411) 0.458 9.114 ( 3.621 -0.001 -0.073) 3.622 9.136 ( 0.937 -0.013 -0.695) 1.166 9.200 ( 0.704 -0.036 1.037) 1.253 9.264 ( -5.181 -0.029 0.445) 5.201 9.401 ( -0.209 0.060 -0.238) 0.322 9.413 ( -1.319 0.091 1.214) 1.795 11.908 ( 0.670 -0.054 0.967) 1.178 11.926 ( -1.139 -0.020 0.978) 1.502 13.543 ( -0.261 0.040 0.803) 0.845 13.553 ( -1.408 0.029 0.997) 1.725 13.960 ( 1.167 -0.565 0.714) 1.480 13.968 ( 0.644 0.220 0.041) 0.682 14.655 ( -0.694 -0.599 1.320) 1.607 14.667 ( -1.442 0.341 1.216) 1.917 ======================= Grid point 98 (33/124) ======================= q-point: ( 0.00 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 0.000 2.247 10.278) 10.521 1.427 ( 0.000 0.001 -8.096) 8.096 1.471 ( 0.000 -0.188 13.181) 13.182 1.531 ( 0.000 -1.598 0.950) 1.859 1.742 ( 0.000 -1.152 -1.630) 1.996 1.807 ( 0.000 0.830 -4.690) 4.763 1.886 ( 0.000 -0.516 1.341) 1.436 2.182 ( 0.000 0.307 -4.491) 4.501 2.305 ( 0.000 2.161 -0.239) 2.175 2.434 ( 0.000 0.091 -7.026) 7.026 2.523 ( 0.000 -0.172 -1.609) 1.618 2.688 ( 0.000 0.947 1.407) 1.696 2.883 ( 0.000 0.623 2.628) 2.701 3.057 ( 0.000 -1.556 1.191) 1.960 3.089 ( 0.000 0.023 2.091) 2.091 3.374 ( 0.000 0.065 4.742) 4.743 3.923 ( 0.000 0.363 18.017) 18.020 4.141 ( 0.000 -0.027 -0.981) 0.981 4.297 ( 0.000 -0.487 20.259) 20.265 4.854 ( 0.000 0.072 -1.311) 1.313 5.337 ( 0.000 -0.237 -9.965) 9.967 5.340 ( 0.000 0.061 0.265) 0.272 5.941 ( 0.000 -0.014 -7.561) 7.561 6.027 ( 0.000 -0.070 0.377) 0.384 6.173 ( 0.000 -0.190 -5.807) 5.810 6.259 ( 0.000 0.631 0.009) 0.631 6.891 ( 0.000 0.062 1.386) 1.388 6.922 ( 0.000 -0.042 1.290) 1.291 7.391 ( 0.000 -0.043 1.217) 1.218 7.526 ( 0.000 0.056 0.889) 0.891 8.065 ( 0.000 0.053 0.155) 0.164 8.115 ( 0.000 -0.103 0.204) 0.229 8.356 ( 0.000 0.001 0.145) 0.145 8.444 ( 0.000 0.022 -0.401) 0.402 8.968 ( 0.000 -0.005 -0.195) 0.195 9.057 ( 0.000 -0.059 -0.844) 0.846 9.261 ( 0.000 -0.073 2.748) 2.749 9.409 ( 0.000 0.072 -2.464) 2.465 9.488 ( 0.000 0.012 0.194) 0.194 9.518 ( 0.000 0.023 1.523) 1.523 11.915 ( 0.000 -0.070 0.643) 0.647 11.996 ( 0.000 -0.026 0.421) 0.422 13.594 ( 0.000 0.143 -0.024) 0.145 13.699 ( 0.000 -0.128 -0.143) 0.192 13.819 ( 0.000 -0.483 -0.328) 0.584 13.920 ( 0.000 0.539 1.750) 1.831 14.749 ( 0.000 0.021 0.772) 0.772 14.793 ( 0.000 -0.397 -1.101) 1.171 ======================= Grid point 99 (34/124) ======================= q-point: ( 0.14 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 5.645 1.499 6.288) 8.582 1.392 ( -2.447 -0.639 -3.246) 4.115 1.505 ( 3.318 -0.419 4.792) 5.843 1.584 ( 5.102 -0.619 1.648) 5.397 1.773 ( 2.586 -0.990 1.175) 3.008 1.818 ( 1.076 1.046 -1.833) 2.369 1.932 ( 5.103 -0.666 1.348) 5.320 2.199 ( 1.708 0.174 -4.890) 5.182 2.302 ( -0.212 2.295 -0.734) 2.419 2.447 ( 1.210 0.177 -6.625) 6.737 2.507 ( -1.383 0.063 -2.018) 2.447 2.706 ( 1.382 0.794 1.291) 2.051 2.890 ( 0.482 -0.123 2.024) 2.084 3.029 ( -1.913 1.347 1.248) 2.652 3.112 ( 1.412 -2.413 1.939) 3.403 3.356 ( -1.708 0.185 4.105) 4.450 3.917 ( -0.577 0.301 18.112) 18.124 4.059 ( -5.506 0.075 8.028) 9.735 4.400 ( 7.622 -0.463 12.095) 14.304 4.848 ( -0.682 0.036 -1.070) 1.269 5.326 ( -0.918 -0.305 -9.119) 9.170 5.339 ( -0.154 0.165 -0.770) 0.802 5.941 ( -0.002 -0.022 -7.482) 7.482 6.017 ( -0.983 -0.075 -1.273) 1.610 6.187 ( 1.247 -0.210 -4.300) 4.482 6.257 ( -0.241 0.600 -0.003) 0.647 6.902 ( 0.994 0.062 1.353) 1.680 6.928 ( 0.552 -0.038 1.280) 1.395 7.389 ( -0.146 -0.033 1.224) 1.233 7.512 ( -1.299 0.042 0.902) 1.582 8.063 ( -0.112 0.044 0.159) 0.200 8.108 ( -0.616 -0.074 0.217) 0.658 8.375 ( 1.801 -0.002 0.099) 1.803 8.449 ( 0.474 0.013 -0.379) 0.607 8.985 ( 1.671 -0.007 -0.175) 1.680 9.066 ( 0.879 -0.052 -0.806) 1.194 9.255 ( -0.566 -0.058 2.498) 2.562 9.402 ( -0.638 0.074 -2.157) 2.250 9.456 ( -3.001 0.005 0.291) 3.015 9.508 ( -1.063 0.035 1.366) 1.731 11.914 ( -0.071 -0.068 0.634) 0.642 11.987 ( -0.887 -0.029 0.436) 0.989 13.585 ( -0.852 0.116 0.058) 0.862 13.665 ( -2.727 -0.062 0.121) 2.731 13.855 ( 2.938 -0.556 -0.456) 3.025 13.934 ( 1.268 0.507 1.579) 2.087 14.733 ( -1.505 -0.028 0.738) 1.677 14.771 ( -2.090 -0.322 -0.733) 2.238 ======================= Grid point 100 (35/124) ======================= q-point: ( 0.29 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -1.779 -3.597 -4.166) 5.784 1.384 ( 1.012 2.535 -2.798) 3.909 1.584 ( 4.408 -0.536 2.376) 5.036 1.688 ( 3.685 -0.041 0.970) 3.810 1.823 ( 1.890 -0.167 5.400) 5.724 1.843 ( 1.351 0.840 4.998) 5.245 2.109 ( 12.010 -0.146 1.153) 12.067 2.239 ( 1.933 -0.229 -4.317) 4.735 2.304 ( 0.607 2.586 -1.396) 3.001 2.461 ( -1.243 -0.996 -3.392) 3.748 2.498 ( 2.184 1.602 -5.807) 6.408 2.728 ( 0.586 0.560 0.052) 0.813 2.892 ( -0.557 -1.834 1.321) 2.328 2.989 ( -2.253 2.843 1.013) 3.767 3.141 ( 1.618 -2.920 1.879) 3.831 3.312 ( -2.600 0.507 2.654) 3.750 3.903 ( -0.713 0.171 18.321) 18.336 3.964 ( -3.900 0.314 13.959) 14.497 4.555 ( 7.690 -0.433 7.782) 10.949 4.826 ( -1.580 -0.065 -0.098) 1.584 5.306 ( -0.910 -0.314 -8.401) 8.456 5.331 ( -0.704 0.265 -2.134) 2.262 5.942 ( 0.207 -0.041 -7.173) 7.176 5.993 ( -1.314 -0.078 -3.731) 3.956 6.214 ( 1.235 -0.317 -2.099) 2.456 6.252 ( -0.176 0.585 -0.109) 0.621 6.925 ( 1.226 -0.010 1.288) 1.778 6.942 ( 0.744 0.046 1.261) 1.465 7.389 ( 0.248 -0.017 1.211) 1.236 7.478 ( -2.087 0.014 0.948) 2.292 8.062 ( 0.027 0.014 0.176) 0.178 8.093 ( -0.843 0.003 0.239) 0.876 8.417 ( 2.170 -0.021 -0.009) 2.170 8.459 ( 0.513 0.004 -0.318) 0.604 9.036 ( 3.457 -0.008 -0.120) 3.459 9.091 ( 1.647 -0.036 -0.676) 1.781 9.238 ( -1.223 -0.034 1.613) 2.025 9.375 ( -4.954 -0.013 0.251) 4.961 9.391 ( -0.210 0.087 -1.156) 1.178 9.476 ( -2.024 0.057 1.202) 2.355 11.914 ( 0.160 -0.063 0.603) 0.627 11.965 ( -1.284 -0.035 0.472) 1.369 13.566 ( -0.937 0.064 0.246) 0.971 13.609 ( -2.645 0.005 0.422) 2.679 13.916 ( 2.933 -0.575 -0.372) 3.012 13.962 ( 1.331 0.368 1.143) 1.793 14.698 ( -1.822 -0.168 0.678) 1.951 14.722 ( -2.547 -0.144 -0.050) 2.552 ======================= Grid point 101 (36/124) ======================= q-point: ( 0.43 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -0.908 -5.826 -7.869) 9.833 1.395 ( 0.224 3.720 -5.064) 6.288 1.668 ( 3.663 -0.557 1.124) 3.872 1.715 ( -0.728 -0.160 -0.134) 0.757 1.839 ( 0.140 -0.452 7.268) 7.284 1.868 ( 0.760 1.851 8.958) 9.179 2.259 ( 0.736 -0.240 -3.471) 3.556 2.299 ( 2.851 2.252 0.326) 3.648 2.344 ( 4.890 1.041 -0.484) 5.023 2.421 ( -2.580 -0.031 -2.312) 3.464 2.588 ( 6.570 0.263 -5.804) 8.770 2.709 ( -3.343 0.499 -3.091) 4.580 2.866 ( -1.398 -3.416 1.362) 3.934 2.950 ( -1.170 3.198 1.369) 3.670 3.174 ( 1.498 -3.023 1.636) 3.750 3.263 ( -1.955 1.427 1.593) 2.898 3.893 ( -0.161 0.026 18.291) 18.292 3.910 ( -1.486 0.493 17.205) 17.276 4.691 ( 5.791 -0.345 4.844) 7.558 4.780 ( -3.269 -0.208 1.999) 3.837 5.296 ( -0.078 -0.391 -6.336) 6.348 5.314 ( -0.780 0.428 -4.974) 5.053 5.951 ( 0.649 -0.062 -6.498) 6.531 5.968 ( -1.112 -0.073 -5.427) 5.540 6.231 ( 0.418 -0.552 -0.720) 0.999 6.250 ( 0.007 0.722 -0.405) 0.828 6.943 ( 0.497 -0.287 1.251) 1.376 6.954 ( 0.397 0.337 1.245) 1.350 7.403 ( 1.177 -0.020 1.137) 1.637 7.436 ( -2.012 0.004 1.034) 2.262 8.065 ( 0.286 -0.090 0.201) 0.361 8.078 ( -0.624 0.142 0.245) 0.685 8.452 ( 1.165 -0.092 -0.133) 1.176 8.465 ( -0.031 0.055 -0.227) 0.236 9.113 ( 3.552 -0.002 -0.086) 3.553 9.126 ( 1.542 -0.014 -0.389) 1.590 9.215 ( -0.394 -0.034 0.501) 0.638 9.270 ( -5.203 -0.013 0.190) 5.206 9.401 ( 1.153 0.073 0.096) 1.160 9.434 ( -2.081 0.082 0.860) 2.253 11.922 ( 0.647 -0.059 0.559) 0.857 11.940 ( -1.124 -0.042 0.512) 1.236 13.555 ( -0.059 0.019 0.438) 0.442 13.568 ( -1.419 0.037 0.530) 1.515 13.962 ( 1.576 -0.423 0.046) 1.633 13.979 ( 0.170 0.119 0.564) 0.601 14.671 ( -0.731 -0.400 0.649) 1.056 14.682 ( -1.175 0.099 0.366) 1.235 ======================= Grid point 105 (37/124) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.000 -0.880 0.811) 1.197 1.385 ( 0.000 4.046 2.818) 4.930 1.498 ( 0.000 -3.084 -3.084) 4.361 1.592 ( 0.000 -0.494 -0.774) 0.918 1.721 ( 0.000 -0.710 -0.211) 0.741 1.770 ( 0.000 -0.033 0.729) 0.730 1.883 ( 0.000 0.587 -1.423) 1.540 2.169 ( 0.000 -1.199 2.861) 3.102 2.328 ( 0.000 2.417 1.424) 2.805 2.368 ( 0.000 -0.032 0.348) 0.349 2.491 ( 0.000 -0.869 -1.011) 1.333 2.709 ( 0.000 0.293 0.493) 0.573 2.886 ( 0.000 0.676 -0.954) 1.169 3.060 ( 0.000 -0.590 -0.333) 0.677 3.112 ( 0.000 -0.153 0.213) 0.262 3.417 ( 0.000 -0.001 -0.079) 0.079 4.112 ( 0.000 0.049 0.280) 0.284 4.131 ( 0.000 0.009 -0.034) 0.036 4.542 ( 0.000 -0.104 -0.205) 0.230 4.839 ( 0.000 0.025 0.004) 0.025 5.197 ( 0.000 -0.023 -0.189) 0.191 5.343 ( 0.000 0.000 0.059) 0.059 5.861 ( 0.000 0.011 -0.053) 0.054 6.030 ( 0.000 -0.001 -0.068) 0.068 6.113 ( 0.000 -0.033 -0.108) 0.113 6.266 ( 0.000 0.064 0.494) 0.498 6.905 ( 0.000 -0.002 0.069) 0.069 6.934 ( 0.000 0.002 -0.049) 0.049 7.403 ( 0.000 -0.026 -0.008) 0.027 7.535 ( 0.000 0.017 0.036) 0.040 8.067 ( 0.000 -0.011 0.078) 0.079 8.115 ( 0.000 0.014 -0.125) 0.125 8.357 ( 0.000 -0.001 0.002) 0.002 8.440 ( 0.000 0.001 0.020) 0.020 8.966 ( 0.000 0.000 -0.005) 0.005 9.048 ( 0.000 -0.000 -0.057) 0.057 9.291 ( 0.000 0.007 -0.133) 0.133 9.381 ( 0.000 -0.022 0.144) 0.146 9.490 ( 0.000 -0.000 0.012) 0.012 9.532 ( 0.000 0.010 0.016) 0.019 11.921 ( 0.000 -0.020 -0.043) 0.048 11.999 ( 0.000 0.017 -0.059) 0.061 13.596 ( 0.000 0.021 0.115) 0.117 13.696 ( 0.000 -0.016 -0.081) 0.083 13.810 ( 0.000 0.000 -0.390) 0.390 13.943 ( 0.000 -0.000 0.443) 0.443 14.757 ( 0.000 0.001 0.009) 0.009 14.778 ( 0.000 -0.009 -0.338) 0.339 ======================= Grid point 106 (38/124) ======================= q-point: ( 0.14 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -2.286 -0.260 -0.574) 2.372 1.363 ( -1.324 0.783 1.836) 2.395 1.563 ( 4.907 -0.279 -0.242) 4.920 1.576 ( 2.492 -0.341 -1.957) 3.187 1.796 ( 5.002 -0.889 0.307) 5.090 1.828 ( 6.065 0.369 0.094) 6.077 1.936 ( 5.460 0.157 -1.069) 5.566 2.170 ( 0.282 -1.529 2.841) 3.239 2.318 ( -0.587 2.568 1.542) 3.053 2.387 ( 1.460 0.245 0.470) 1.553 2.471 ( -1.740 -0.831 -1.045) 2.193 2.724 ( 1.096 -0.282 0.615) 1.288 2.890 ( 0.333 0.221 -0.674) 0.784 3.046 ( -1.504 2.577 -0.764) 3.080 3.119 ( 0.704 -2.767 0.286) 2.870 3.393 ( -2.305 0.197 -0.152) 2.319 4.106 ( -0.562 0.015 0.239) 0.611 4.120 ( -0.972 0.047 0.119) 0.980 4.583 ( 3.854 -0.088 -0.316) 3.868 4.835 ( -0.403 0.018 -0.023) 0.404 5.190 ( -0.535 -0.020 -0.134) 0.552 5.337 ( -0.680 0.005 0.077) 0.684 5.861 ( 0.080 0.009 -0.068) 0.105 5.998 ( -2.410 0.002 -0.097) 2.412 6.147 ( 2.535 -0.057 -0.076) 2.537 6.263 ( -0.303 0.082 0.440) 0.541 6.916 ( 0.957 0.003 0.065) 0.959 6.940 ( 0.553 -0.008 -0.038) 0.554 7.401 ( -0.141 -0.019 -0.007) 0.143 7.521 ( -1.301 0.013 0.026) 1.301 8.066 ( -0.120 -0.016 0.071) 0.140 8.109 ( -0.572 0.020 -0.098) 0.581 8.376 ( 1.754 -0.003 -0.000) 1.754 8.445 ( 0.486 0.001 0.011) 0.486 8.983 ( 1.689 0.001 -0.007) 1.689 9.057 ( 0.924 -0.000 -0.051) 0.925 9.282 ( -0.946 0.006 -0.102) 0.952 9.378 ( -0.187 -0.020 0.130) 0.228 9.459 ( -2.989 0.001 0.005) 2.989 9.522 ( -1.127 0.009 0.028) 1.128 11.920 ( -0.082 -0.018 -0.044) 0.095 11.990 ( -0.869 0.015 -0.058) 0.871 13.587 ( -0.807 0.018 0.091) 0.813 13.666 ( -2.511 -0.010 -0.035) 2.511 13.845 ( 2.871 -0.002 -0.427) 2.902 13.955 ( 1.049 -0.003 0.392) 1.120 14.740 ( -1.579 0.002 -0.029) 1.580 14.760 ( -1.737 -0.008 -0.289) 1.761 ======================= Grid point 107 (39/124) ======================= q-point: ( 0.29 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -5.210 -2.604 -0.838) 5.884 1.357 ( -0.427 2.927 -0.524) 3.004 1.601 ( 2.974 -0.331 -0.522) 3.037 1.684 ( 2.979 0.145 -0.247) 2.992 1.899 ( 3.890 -1.165 0.135) 4.063 1.957 ( 5.990 1.111 -0.176) 6.094 2.113 ( 10.715 -0.910 0.465) 10.764 2.195 ( 3.690 -1.291 2.498) 4.639 2.314 ( 0.296 2.552 1.709) 3.086 2.415 ( 0.762 0.180 0.675) 1.034 2.434 ( -1.112 -0.278 -1.530) 1.912 2.735 ( -0.422 -1.067 0.791) 1.394 2.891 ( -0.676 -0.587 -0.230) 0.924 3.003 ( -2.385 3.516 -1.069) 4.381 3.142 ( 1.560 -3.090 0.070) 3.462 3.336 ( -3.115 0.701 -0.270) 3.204 4.091 ( -0.833 -0.119 0.210) 0.867 4.100 ( -0.855 0.171 0.284) 0.917 4.676 ( 5.024 -0.061 -0.465) 5.046 4.825 ( -0.657 0.009 -0.118) 0.668 5.183 ( 0.117 -0.012 0.008) 0.118 5.312 ( -1.995 0.014 0.121) 1.998 5.866 ( 0.457 0.005 -0.101) 0.468 5.950 ( -2.288 0.010 -0.124) 2.292 6.194 ( 2.035 -0.155 -0.021) 2.041 6.256 ( -0.310 0.169 0.303) 0.465 6.938 ( 1.134 -0.060 0.052) 1.137 6.954 ( 0.801 0.045 -0.007) 0.803 7.401 ( 0.227 -0.007 -0.007) 0.228 7.487 ( -2.071 0.007 0.007) 2.071 8.064 ( 0.016 -0.039 0.055) 0.069 8.095 ( -0.787 0.046 -0.042) 0.789 8.417 ( 2.096 -0.016 -0.007) 2.096 8.456 ( 0.548 0.011 -0.006) 0.548 9.034 ( 3.489 0.001 -0.008) 3.489 9.084 ( 1.749 -0.000 -0.034) 1.749 9.254 ( -1.899 0.003 -0.047) 1.899 9.377 ( -4.420 -0.028 0.006) 4.420 9.381 ( -0.031 0.017 0.092) 0.099 9.489 ( -2.113 0.006 0.050) 2.114 11.920 ( 0.136 -0.011 -0.048) 0.144 11.968 ( -1.260 0.009 -0.055) 1.261 13.569 ( -0.863 0.009 0.047) 0.865 13.614 ( -2.519 -0.003 0.015) 2.519 13.907 ( 3.105 -0.010 -0.417) 3.133 13.977 ( 0.946 0.005 0.231) 0.974 14.703 ( -1.918 -0.032 -0.105) 1.921 14.718 ( -2.180 0.030 -0.197) 2.189 ======================= Grid point 108 (40/124) ======================= q-point: ( 0.43 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -2.056 -4.086 -1.281) 4.750 1.347 ( -0.346 4.638 -1.451) 4.872 1.665 ( 2.976 -0.392 -0.239) 3.011 1.704 ( -0.678 -0.015 -0.120) 0.689 1.942 ( 0.851 -1.657 0.377) 1.901 2.037 ( 2.059 1.801 -0.036) 2.735 2.195 ( 1.178 -2.237 3.202) 4.080 2.329 ( 2.069 2.047 1.821) 3.433 2.346 ( 3.105 0.755 0.945) 3.333 2.382 ( -1.777 -0.805 -0.853) 2.129 2.516 ( 9.040 0.371 -0.884) 9.091 2.684 ( -5.607 -0.341 0.242) 5.622 2.858 ( -1.649 -2.088 -0.325) 2.680 2.973 ( -0.580 2.748 -0.353) 2.831 3.172 ( 1.150 -2.453 -0.228) 2.719 3.283 ( -1.814 1.363 -0.269) 2.285 4.078 ( -0.379 -0.204 0.248) 0.497 4.089 ( -0.304 0.229 0.272) 0.468 4.762 ( 3.248 -0.074 -0.459) 3.281 4.807 ( -1.273 0.034 -0.291) 1.306 5.204 ( 2.102 -0.004 0.138) 2.107 5.260 ( -3.055 0.016 0.160) 3.059 5.881 ( 1.083 -0.010 -0.130) 1.091 5.910 ( -1.747 0.029 -0.140) 1.752 6.223 ( 0.767 -0.407 0.075) 0.872 6.252 ( -0.138 0.412 0.136) 0.455 6.954 ( 0.428 -0.251 0.034) 0.497 6.968 ( 0.455 0.231 0.026) 0.511 7.414 ( 1.120 -0.012 -0.009) 1.120 7.445 ( -1.960 0.013 -0.007) 1.960 8.067 ( 0.224 -0.123 0.033) 0.258 8.081 ( -0.543 0.132 0.011) 0.559 8.450 ( 1.053 -0.081 -0.015) 1.056 8.463 ( 0.065 0.074 -0.016) 0.100 9.112 ( 3.526 -0.001 -0.002) 3.526 9.122 ( 1.734 -0.000 -0.013) 1.734 9.219 ( -0.797 -0.003 -0.027) 0.797 9.272 ( -5.217 0.007 -0.016) 5.217 9.403 ( 1.659 -0.011 0.086) 1.662 9.444 ( -2.305 0.007 0.071) 2.306 11.927 ( 0.619 -0.006 -0.052) 0.621 11.944 ( -1.098 0.004 -0.054) 1.100 13.559 ( -0.003 -0.013 0.024) 0.028 13.573 ( -1.403 0.015 0.024) 1.403 13.959 ( 1.955 -0.063 -0.263) 1.974 13.985 ( -0.281 0.065 -0.026) 0.289 14.674 ( -0.811 -0.153 -0.145) 0.838 14.685 ( -0.998 0.148 -0.152) 1.020 ======================= Grid point 112 (41/124) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.000 -3.503 -8.063) 8.791 1.417 ( 0.000 1.627 3.771) 4.107 1.475 ( 0.000 -0.588 -9.889) 9.907 1.478 ( 0.000 1.594 0.753) 1.763 1.727 ( 0.000 -0.220 1.173) 1.193 1.830 ( 0.000 -0.826 5.183) 5.248 1.856 ( 0.000 1.999 -1.737) 2.648 2.219 ( 0.000 -3.361 3.671) 4.978 2.361 ( 0.000 -1.495 0.778) 1.685 2.439 ( 0.000 -0.263 6.681) 6.686 2.511 ( 0.000 0.932 3.298) 3.427 2.712 ( 0.000 -0.669 -0.158) 0.687 2.874 ( 0.000 1.948 -1.893) 2.716 3.033 ( 0.000 -0.298 -2.341) 2.360 3.094 ( 0.000 -0.422 -1.847) 1.895 3.372 ( 0.000 0.244 -4.993) 4.998 3.932 ( 0.000 -0.269 -17.666) 17.668 4.140 ( 0.000 0.062 0.920) 0.922 4.285 ( 0.000 0.360 -21.191) 21.194 4.856 ( 0.000 -0.062 1.494) 1.495 5.329 ( 0.000 0.292 9.609) 9.613 5.342 ( 0.000 -0.100 -0.153) 0.182 5.940 ( 0.000 0.058 7.591) 7.591 6.025 ( 0.000 0.111 -0.494) 0.507 6.169 ( 0.000 0.135 5.558) 5.559 6.278 ( 0.000 -0.720 0.887) 1.142 6.893 ( 0.000 -0.117 -1.277) 1.282 6.921 ( 0.000 0.086 -1.370) 1.373 7.391 ( 0.000 -0.014 -1.234) 1.234 7.527 ( 0.000 -0.036 -0.845) 0.846 8.067 ( 0.000 -0.153 -0.029) 0.156 8.111 ( 0.000 0.238 -0.436) 0.497 8.356 ( 0.000 -0.004 -0.140) 0.140 8.444 ( 0.000 -0.034 0.440) 0.441 8.968 ( 0.000 0.008 0.184) 0.185 9.055 ( 0.000 0.095 0.739) 0.745 9.259 ( 0.000 0.113 -2.754) 2.756 9.412 ( 0.000 -0.158 2.526) 2.531 9.488 ( 0.000 -0.019 -0.173) 0.174 9.518 ( 0.000 -0.010 -1.521) 1.521 11.913 ( 0.000 0.066 -0.745) 0.748 11.995 ( 0.000 0.081 -0.438) 0.445 13.599 ( 0.000 -0.200 0.283) 0.347 13.695 ( 0.000 0.175 -0.166) 0.241 13.804 ( 0.000 0.592 -0.429) 0.731 13.937 ( 0.000 -0.682 -0.893) 1.123 14.749 ( 0.000 0.049 -0.869) 0.871 14.781 ( 0.000 0.524 0.467) 0.702 ======================= Grid point 113 (42/124) ======================= q-point: ( 0.14 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 1.508 -2.300 -4.475) 5.252 1.373 ( -1.942 0.761 2.846) 3.528 1.499 ( 3.603 0.129 -4.414) 5.699 1.548 ( 6.171 1.997 -1.641) 6.691 1.765 ( 3.242 -0.490 -1.192) 3.489 1.842 ( 1.089 -0.816 2.198) 2.585 1.906 ( 5.568 1.439 -1.964) 6.077 2.235 ( 1.536 -3.109 4.195) 5.443 2.358 ( -0.196 -1.495 0.984) 1.800 2.453 ( 0.854 -0.418 6.191) 6.263 2.504 ( -0.215 0.654 4.720) 4.770 2.728 ( 1.316 -1.059 0.120) 1.693 2.878 ( 0.219 1.117 -1.695) 2.042 3.030 ( -0.619 3.151 -2.541) 4.095 3.089 ( -0.122 -2.781 -1.798) 3.314 3.354 ( -1.710 0.434 -4.335) 4.681 3.924 ( -0.706 -0.236 -17.839) 17.854 4.063 ( -5.129 -0.187 -8.219) 9.690 4.386 ( 7.543 0.512 -12.670) 14.754 4.848 ( -0.798 -0.010 1.186) 1.429 5.319 ( -0.885 0.206 8.794) 8.841 5.342 ( -0.081 -0.058 0.803) 0.809 5.940 ( -0.026 0.069 7.520) 7.520 6.014 ( -0.994 0.120 1.203) 1.565 6.183 ( 1.268 0.089 4.045) 4.241 6.273 ( -0.416 -0.608 0.773) 1.067 6.904 ( 0.980 -0.109 -1.248) 1.591 6.927 ( 0.591 0.059 -1.332) 1.458 7.389 ( -0.135 -0.011 -1.233) 1.241 7.513 ( -1.334 -0.023 -0.877) 1.597 8.065 ( -0.139 -0.141 -0.043) 0.202 8.105 ( -0.525 0.194 -0.404) 0.691 8.375 ( 1.791 -0.002 -0.096) 1.794 8.449 ( 0.446 -0.018 0.401) 0.600 8.985 ( 1.666 0.012 0.160) 1.673 9.064 ( 0.901 0.085 0.713) 1.152 9.254 ( -0.523 0.090 -2.501) 2.556 9.405 ( -0.635 -0.160 2.239) 2.333 9.456 ( -3.019 -0.003 -0.295) 3.033 9.509 ( -1.027 -0.034 -1.329) 1.680 11.912 ( -0.071 0.069 -0.736) 0.742 11.986 ( -0.889 0.080 -0.457) 1.003 13.589 ( -0.931 -0.159 0.154) 0.957 13.663 ( -2.580 0.082 -0.279) 2.597 13.839 ( 2.840 0.654 -0.430) 2.946 13.949 ( 1.089 -0.586 -0.803) 1.475 14.732 ( -1.647 0.108 -0.917) 1.888 14.761 ( -1.882 0.433 0.261) 1.949 ======================= Grid point 114 (43/124) ======================= q-point: ( 0.29 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -4.265 -0.140 4.571) 6.254 1.390 ( 0.454 2.210 1.233) 2.571 1.574 ( 4.437 0.063 -1.603) 4.718 1.679 ( 4.410 0.674 -1.347) 4.660 1.828 ( 2.396 -0.567 -4.870) 5.457 1.867 ( 1.643 -1.026 -4.039) 4.479 2.100 ( 13.148 0.344 -1.775) 13.272 2.274 ( 2.326 -2.716 3.701) 5.147 2.357 ( 0.101 -1.486 0.987) 1.786 2.447 ( -1.167 -0.125 5.690) 5.810 2.526 ( 2.234 -0.058 7.793) 8.107 2.749 ( 0.423 -1.569 1.392) 2.140 2.870 ( -1.418 -0.134 -2.039) 2.488 2.999 ( -2.042 4.393 -1.709) 5.137 3.106 ( 1.679 -2.597 -2.281) 3.843 3.311 ( -2.503 0.849 -3.046) 4.033 3.908 ( -0.788 -0.225 -18.142) 18.160 3.974 ( -3.654 -0.444 -13.719) 14.204 4.541 ( 7.742 0.594 -8.206) 11.297 4.824 ( -1.790 0.137 0.068) 1.797 5.301 ( -0.806 0.066 7.734) 7.777 5.335 ( -0.657 -0.026 2.386) 2.475 5.941 ( 0.175 0.093 7.227) 7.230 5.990 ( -1.313 0.124 3.740) 3.966 6.210 ( 1.262 -0.061 1.903) 2.284 6.264 ( -0.403 -0.300 0.556) 0.749 6.926 ( 1.113 -0.127 -1.197) 1.639 6.942 ( 0.894 0.035 -1.243) 1.532 7.389 ( 0.251 -0.002 -1.211) 1.237 7.478 ( -2.120 0.002 -0.953) 2.324 8.063 ( -0.022 -0.122 -0.079) 0.147 8.092 ( -0.717 0.107 -0.324) 0.794 8.417 ( 2.143 0.001 0.003) 2.143 8.459 ( 0.497 0.017 0.306) 0.584 9.035 ( 3.460 0.015 0.102) 3.461 9.090 ( 1.682 0.057 0.611) 1.790 9.237 ( -1.194 0.052 -1.630) 2.021 9.375 ( -4.959 0.010 -0.276) 4.966 9.394 ( -0.225 -0.153 1.280) 1.309 9.478 ( -1.982 -0.075 -1.119) 2.277 11.912 ( 0.161 0.075 -0.701) 0.723 11.963 ( -1.291 0.078 -0.506) 1.388 13.568 ( -1.015 -0.086 -0.123) 1.026 13.610 ( -2.578 -0.015 -0.431) 2.614 13.900 ( 3.073 0.633 -0.505) 3.178 13.971 ( 0.947 -0.308 -0.667) 1.199 14.693 ( -1.985 0.182 -0.994) 2.227 14.716 ( -2.345 0.312 -0.165) 2.371 ======================= Grid point 115 (44/124) ======================= q-point: ( 0.43 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -1.688 0.109 7.251) 7.446 1.390 ( -0.128 4.064 2.320) 4.681 1.661 ( 3.841 -0.219 -0.201) 3.852 1.711 ( -0.743 0.083 0.369) 0.834 1.848 ( 0.204 -1.199 -6.278) 6.395 1.903 ( 1.291 -0.707 -8.266) 8.396 2.286 ( 2.389 -1.843 2.571) 3.964 2.342 ( 2.651 -1.689 -1.125) 3.339 2.376 ( 3.589 -1.049 1.259) 3.946 2.427 ( -0.433 -0.907 5.918) 6.003 2.589 ( 4.675 0.752 6.701) 8.205 2.717 ( -4.542 0.047 3.742) 5.885 2.830 ( -1.301 -0.857 -1.743) 2.338 2.972 ( -0.561 1.986 -1.404) 2.496 3.137 ( 1.047 -1.086 -2.459) 2.885 3.268 ( -1.418 1.198 -2.107) 2.808 3.899 ( -0.111 -0.409 -18.010) 18.015 3.922 ( -1.507 -0.378 -16.732) 16.804 4.679 ( 5.967 0.519 -5.104) 7.869 4.773 ( -3.509 0.339 -2.151) 4.130 5.293 ( -0.032 -0.156 5.640) 5.643 5.319 ( -0.747 0.098 5.134) 5.188 5.948 ( 0.623 0.113 6.548) 6.578 5.966 ( -1.100 0.122 5.512) 5.622 6.227 ( 0.444 -0.314 0.696) 0.884 6.259 ( -0.108 0.083 0.475) 0.494 6.942 ( 0.407 -0.199 -1.168) 1.253 6.958 ( 0.506 0.073 -1.171) 1.277 7.402 ( 1.160 0.004 -1.142) 1.628 7.435 ( -2.009 0.019 -1.051) 2.267 8.065 ( 0.158 -0.123 -0.132) 0.241 8.079 ( -0.463 0.055 -0.237) 0.523 8.450 ( 1.081 -0.020 0.118) 1.088 8.465 ( 0.035 0.066 0.191) 0.205 9.113 ( 3.570 0.002 0.085) 3.571 9.125 ( 1.585 0.022 0.366) 1.627 9.213 ( -0.416 0.044 -0.556) 0.696 9.270 ( -5.222 0.038 -0.242) 5.227 9.403 ( 1.128 -0.149 0.046) 1.139 9.437 ( -2.039 -0.110 -0.732) 2.169 11.920 ( 0.650 0.078 -0.643) 0.917 11.938 ( -1.130 0.080 -0.568) 1.268 13.555 ( -0.101 -0.053 -0.368) 0.385 13.569 ( -1.393 -0.033 -0.490) 1.478 13.951 ( 1.954 0.378 -0.576) 2.072 13.979 ( -0.303 0.118 -0.612) 0.693 14.664 ( -0.816 0.131 -0.973) 1.276 14.680 ( -1.084 0.344 -0.528) 1.254 ======================= Grid point 119 (45/124) ======================= q-point: ( 0.00 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 0.000 -4.222 -13.736) 14.370 1.235 ( 0.000 -5.040 -13.623) 14.525 1.439 ( 0.000 2.764 -3.687) 4.608 1.556 ( 0.000 3.544 4.324) 5.591 1.752 ( 0.000 -0.264 0.924) 0.961 1.875 ( 0.000 0.775 4.268) 4.338 1.933 ( 0.000 0.117 5.393) 5.394 2.275 ( 0.000 -1.171 2.418) 2.686 2.354 ( 0.000 -1.872 0.249) 1.888 2.577 ( 0.000 -1.079 2.930) 3.122 2.587 ( 0.000 0.149 8.051) 8.053 2.698 ( 0.000 -2.003 -0.075) 2.004 2.726 ( 0.000 -2.575 -16.541) 16.740 2.986 ( 0.000 1.100 -3.520) 3.688 3.046 ( 0.000 -0.465 -2.710) 2.750 3.243 ( 0.000 1.905 -7.878) 8.105 3.539 ( 0.000 -0.509 -20.331) 20.338 3.925 ( 0.000 1.441 -14.945) 15.015 4.164 ( 0.000 0.108 1.431) 1.435 4.887 ( 0.000 -0.280 1.808) 1.830 5.335 ( 0.000 -0.210 -0.461) 0.506 5.482 ( 0.000 0.547 6.092) 6.116 6.014 ( 0.000 0.215 -0.730) 0.761 6.104 ( 0.000 -0.030 8.718) 8.718 6.274 ( 0.000 -0.900 2.541) 2.695 6.314 ( 0.000 -0.124 5.828) 5.829 6.859 ( 0.000 -0.208 -2.144) 2.155 6.886 ( 0.000 0.157 -2.250) 2.256 7.358 ( 0.000 -0.013 -2.179) 2.179 7.504 ( 0.000 -0.031 -1.482) 1.482 8.065 ( 0.000 -0.259 -0.053) 0.265 8.104 ( 0.000 0.451 -0.384) 0.593 8.353 ( 0.000 -0.009 -0.179) 0.179 8.456 ( 0.000 -0.073 0.749) 0.752 8.973 ( 0.000 0.020 0.249) 0.250 9.078 ( 0.000 0.193 1.634) 1.645 9.202 ( 0.000 0.056 -3.133) 3.134 9.462 ( 0.000 -0.185 2.520) 2.527 9.477 ( 0.000 0.004 -2.582) 2.582 9.483 ( 0.000 -0.037 -0.321) 0.323 11.896 ( 0.000 0.196 -1.121) 1.138 11.983 ( 0.000 -0.006 -0.822) 0.822 13.603 ( 0.000 -0.523 0.372) 0.642 13.691 ( 0.000 0.656 -0.464) 0.803 13.800 ( 0.000 1.125 -0.542) 1.248 13.906 ( 0.000 -1.309 -1.621) 2.084 14.725 ( 0.000 0.369 -1.839) 1.876 14.802 ( 0.000 1.043 1.203) 1.593 ======================= Grid point 120 (46/124) ======================= q-point: ( 0.14 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 10.080 -2.308 -10.684) 14.869 1.238 ( 0.800 -3.749 -12.700) 13.266 1.499 ( 5.563 1.821 -3.402) 6.770 1.587 ( 2.941 2.629 5.566) 6.822 1.781 ( 2.185 -0.125 2.542) 3.354 1.871 ( -0.037 0.177 2.231) 2.239 1.937 ( 1.540 1.092 4.263) 4.662 2.288 ( 1.038 -1.364 1.986) 2.624 2.352 ( -0.108 -1.561 0.080) 1.567 2.560 ( -0.858 -1.141 3.265) 3.564 2.607 ( 1.167 -2.108 4.789) 5.361 2.718 ( 1.763 -1.399 -0.162) 2.256 2.756 ( 2.521 -1.524 -12.209) 12.560 2.986 ( 0.023 1.318 -4.413) 4.605 3.034 ( -1.046 -0.271 -2.405) 2.637 3.241 ( -0.227 1.544 -6.986) 7.159 3.527 ( -1.057 -0.349 -20.662) 20.692 3.821 ( -7.758 0.622 -12.775) 14.960 4.277 ( 8.649 0.652 -1.392) 8.784 4.873 ( -1.402 -0.159 1.451) 2.024 5.343 ( 0.667 -0.223 0.036) 0.704 5.467 ( -1.323 0.598 5.767) 5.947 6.028 ( 1.251 0.184 0.206) 1.281 6.102 ( -0.172 -0.041 8.593) 8.595 6.269 ( -0.486 -0.778 2.277) 2.454 6.306 ( -0.729 -0.048 5.252) 5.303 6.870 ( 1.049 -0.199 -2.097) 2.353 6.893 ( 0.650 0.101 -2.200) 2.296 7.356 ( -0.138 -0.027 -2.197) 2.202 7.490 ( -1.406 -0.003 -1.545) 2.089 8.063 ( -0.152 -0.237 -0.063) 0.288 8.099 ( -0.514 0.363 -0.372) 0.731 8.373 ( 1.901 -0.006 -0.101) 1.904 8.460 ( 0.369 -0.040 0.693) 0.786 8.988 ( 1.608 0.030 0.209) 1.622 9.086 ( 0.799 0.173 1.566) 1.766 9.201 ( -0.106 0.037 -2.966) 2.968 9.443 ( -2.711 0.018 -0.950) 2.873 9.451 ( -1.327 -0.197 2.215) 2.589 9.477 ( -0.963 -0.079 -1.734) 1.985 11.895 ( -0.047 0.193 -1.109) 1.127 11.974 ( -0.923 0.004 -0.837) 1.245 13.590 ( -1.200 -0.428 0.152) 1.283 13.655 ( -2.886 0.329 -0.709) 2.990 13.835 ( 2.818 1.285 -0.543) 3.144 13.923 ( 1.511 -1.040 -1.237) 2.212 14.707 ( -1.663 0.485 -1.866) 2.546 14.773 ( -2.587 0.720 0.650) 2.763 ======================= Grid point 121 (47/124) ======================= q-point: ( 0.29 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 1.751 -0.794 -7.715) 7.951 1.321 ( 5.001 0.462 -7.901) 9.362 1.619 ( 5.154 0.096 -1.143) 5.280 1.655 ( 3.437 0.724 6.212) 7.136 1.800 ( 0.074 0.373 3.074) 3.098 1.864 ( -0.784 -0.628 2.968) 3.134 2.069 ( 11.297 1.585 -1.490) 11.505 2.304 ( 0.452 -1.538 0.708) 1.752 2.353 ( 0.239 -0.982 -0.142) 1.021 2.539 ( -1.507 -2.425 2.130) 3.562 2.639 ( 2.149 -3.201 1.966) 4.328 2.753 ( 1.515 -0.407 -1.799) 2.386 2.802 ( 1.699 -0.629 -3.513) 3.953 2.971 ( -2.139 0.731 -3.863) 4.476 3.032 ( 1.547 0.616 -3.867) 4.210 3.233 ( -0.542 1.105 -5.016) 5.165 3.504 ( -1.047 -0.142 -21.106) 21.132 3.670 ( -7.002 -0.284 -14.099) 15.744 4.456 ( 9.023 0.810 -2.100) 9.299 4.830 ( -3.060 0.113 0.502) 3.103 5.357 ( 0.700 -0.137 1.345) 1.522 5.438 ( -1.466 0.600 5.071) 5.313 6.054 ( 1.138 0.076 2.430) 2.684 6.098 ( -0.196 -0.068 8.104) 8.106 6.258 ( -0.508 -0.418 1.908) 2.018 6.289 ( -0.866 0.070 3.624) 3.726 6.894 ( 1.166 -0.176 -2.014) 2.334 6.910 ( 0.969 -0.034 -2.104) 2.317 7.357 ( 0.312 -0.035 -2.174) 2.197 7.452 ( -2.231 0.037 -1.686) 2.797 8.061 ( -0.055 -0.186 -0.094) 0.215 8.086 ( -0.683 0.163 -0.326) 0.775 8.417 ( 2.289 0.013 0.063) 2.290 8.468 ( 0.375 0.022 0.551) 0.667 9.038 ( 3.378 0.037 0.110) 3.380 9.108 ( 1.405 0.120 1.304) 1.921 9.199 ( -0.143 0.030 -2.312) 2.317 9.366 ( -4.827 0.067 -0.722) 4.881 9.423 ( -1.385 -0.250 1.741) 2.239 9.449 ( -1.687 -0.155 -1.800) 2.472 11.896 ( 0.214 0.180 -1.067) 1.103 11.950 ( -1.343 0.035 -0.875) 1.603 13.563 ( -1.348 -0.248 -0.295) 1.402 13.597 ( -2.745 0.023 -0.950) 2.905 13.894 ( 2.902 1.193 -0.672) 3.209 13.954 ( 1.311 -0.397 -0.738) 1.556 14.668 ( -1.972 0.609 -1.869) 2.784 14.714 ( -3.007 0.309 -0.304) 3.039 ======================= Grid point 122 (48/124) ======================= q-point: ( 0.43 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 0.843 1.495 -2.783) 3.269 1.382 ( 1.466 1.643 -7.115) 7.448 1.678 ( 1.143 -1.184 2.208) 2.754 1.706 ( 1.238 -0.800 3.526) 3.822 1.807 ( 0.738 0.648 2.605) 2.784 1.848 ( -0.737 0.126 2.929) 3.023 2.276 ( 5.985 -0.090 -3.328) 6.849 2.309 ( 0.229 -1.336 -1.146) 1.775 2.376 ( 3.384 -1.034 -0.049) 3.539 2.490 ( -3.685 -2.785 0.617) 4.660 2.680 ( 1.414 0.120 -0.400) 1.475 2.780 ( 1.580 -1.402 -0.977) 2.328 2.817 ( -0.221 -0.637 3.365) 3.432 2.918 ( -2.342 -0.751 -5.061) 5.627 3.072 ( 1.621 1.622 -3.696) 4.350 3.221 ( -0.507 0.949 -3.290) 3.461 3.495 ( 0.295 -0.455 -20.739) 20.746 3.560 ( -3.647 -0.739 -17.295) 17.691 4.622 ( 7.535 0.649 -1.706) 7.753 4.749 ( -5.221 0.397 -0.707) 5.283 5.367 ( 0.264 0.174 2.876) 2.893 5.416 ( -0.617 0.362 4.204) 4.265 6.069 ( 0.367 -0.058 4.778) 4.792 6.095 ( -0.065 -0.071 7.139) 7.140 6.251 ( -0.146 -0.015 2.145) 2.150 6.275 ( -0.412 0.078 1.681) 1.732 6.911 ( 0.423 -0.163 -1.966) 2.017 6.926 ( 0.536 -0.141 -2.047) 2.120 7.372 ( 1.294 -0.006 -2.040) 2.416 7.408 ( -2.151 0.033 -1.859) 2.843 8.062 ( 0.124 -0.110 -0.137) 0.215 8.074 ( -0.429 -0.032 -0.268) 0.507 8.454 ( 1.236 0.045 0.247) 1.261 8.471 ( -0.113 0.055 0.368) 0.389 9.114 ( 3.665 0.004 0.071) 3.666 9.135 ( 1.018 0.044 0.677) 1.223 9.198 ( 0.614 0.096 -1.081) 1.247 9.263 ( -5.215 0.102 -0.527) 5.242 9.405 ( -0.253 -0.263 0.267) 0.452 9.418 ( -1.231 -0.227 -1.070) 1.647 11.905 ( 0.706 0.143 -1.006) 1.237 11.925 ( -1.184 0.088 -0.928) 1.506 13.545 ( -0.333 -0.131 -0.700) 0.786 13.555 ( -1.352 -0.084 -0.961) 1.661 13.942 ( 1.762 0.797 -0.716) 2.062 13.967 ( -0.087 0.309 -0.650) 0.725 14.640 ( -0.748 0.462 -1.719) 1.931 14.668 ( -1.367 0.366 -0.942) 1.699 ======================= Grid point 126 (49/124) ======================= q-point: ( 0.00 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 -4.923 -15.018) 15.804 0.920 ( 0.000 -11.602 -14.421) 18.509 1.364 ( 0.000 4.423 -5.824) 7.313 1.613 ( 0.000 5.444 -0.282) 5.451 1.756 ( 0.000 -1.598 0.446) 1.659 1.868 ( 0.000 -0.548 -26.146) 26.152 2.008 ( 0.000 -0.409 7.687) 7.698 2.192 ( 0.000 3.332 -5.217) 6.191 2.345 ( 0.000 -1.286 -1.788) 2.202 2.428 ( 0.000 -5.504 -4.142) 6.888 2.613 ( 0.000 -2.633 0.747) 2.737 2.655 ( 0.000 -2.819 1.023) 2.998 2.766 ( 0.000 0.306 7.009) 7.015 2.825 ( 0.000 -0.844 -9.994) 10.029 2.992 ( 0.000 -0.391 -2.792) 2.819 3.142 ( 0.000 3.597 -4.423) 5.701 3.316 ( 0.000 -1.406 -2.782) 3.117 3.743 ( 0.000 2.270 -6.746) 7.118 4.191 ( 0.000 0.126 1.338) 1.344 4.920 ( 0.000 -0.430 1.812) 1.862 5.323 ( 0.000 -0.294 -0.714) 0.772 5.571 ( 0.000 0.539 3.308) 3.351 6.002 ( 0.000 0.269 -0.693) 0.743 6.225 ( 0.000 -0.918 3.222) 3.350 6.315 ( 0.000 -0.878 4.327) 4.415 6.434 ( 0.000 0.607 5.415) 5.449 6.816 ( 0.000 -0.221 -2.180) 2.191 6.843 ( 0.000 0.175 -2.318) 2.325 7.312 ( 0.000 0.070 -2.619) 2.620 7.474 ( 0.000 0.078 -1.626) 1.628 8.063 ( 0.000 -0.188 0.011) 0.188 8.102 ( 0.000 0.441 -0.073) 0.447 8.350 ( 0.000 -0.015 -0.128) 0.129 8.470 ( 0.000 -0.103 0.804) 0.811 8.977 ( 0.000 0.034 0.191) 0.194 9.119 ( 0.000 0.259 2.538) 2.551 9.146 ( 0.000 -0.078 -2.647) 2.648 9.414 ( 0.000 0.090 -3.733) 3.734 9.476 ( 0.000 -0.047 -0.366) 0.369 9.510 ( 0.000 -0.211 2.340) 2.349 11.876 ( 0.000 0.351 -1.051) 1.108 11.964 ( 0.000 -0.282 -1.054) 1.092 13.605 ( 0.000 -0.722 0.127) 0.733 13.686 ( 0.000 1.345 -0.621) 1.482 13.794 ( 0.000 1.264 -0.913) 1.559 13.869 ( 0.000 -1.512 -1.243) 1.958 14.686 ( 0.000 1.421 -2.809) 3.148 14.834 ( 0.000 1.344 1.329) 1.891 ======================= Grid point 127 (50/124) ======================= q-point: ( 0.14 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 8.784 -5.047 -14.063) 17.332 0.963 ( 9.082 -5.890 -11.270) 15.627 1.424 ( 5.672 3.308 -5.831) 8.782 1.658 ( 4.059 3.671 0.559) 5.501 1.797 ( 3.503 -0.027 -2.054) 4.061 1.897 ( 3.698 0.361 -17.780) 18.164 2.008 ( -0.351 -0.451 8.872) 8.891 2.202 ( 0.985 2.463 -7.691) 8.136 2.330 ( -1.355 -0.403 -2.655) 3.008 2.431 ( 0.168 -5.363 -5.360) 7.584 2.561 ( -2.801 -4.063 -0.768) 4.994 2.712 ( 2.646 -0.811 3.397) 4.382 2.793 ( 1.854 -0.728 6.140) 6.454 2.823 ( 1.184 -0.969 -10.754) 10.862 2.981 ( -1.109 -0.511 -2.560) 2.836 3.153 ( 1.035 3.167 -3.869) 5.106 3.296 ( -1.745 -1.119 -3.444) 4.020 3.658 ( -7.236 1.480 -5.861) 9.429 4.277 ( 7.358 0.544 0.404) 7.390 4.900 ( -1.988 -0.255 1.418) 2.455 5.339 ( 1.544 -0.347 -0.221) 1.597 5.552 ( -1.683 0.661 3.141) 3.625 6.029 ( 2.375 0.397 -0.191) 2.415 6.218 ( -0.702 -0.830 2.783) 2.988 6.310 ( -0.361 -0.642 4.406) 4.468 6.416 ( -1.628 0.511 4.992) 5.275 6.828 ( 1.146 -0.213 -2.096) 2.398 6.850 ( 0.689 0.086 -2.272) 2.375 7.309 ( -0.215 -0.043 -2.723) 2.731 7.458 ( -1.523 0.113 -1.716) 2.297 8.061 ( -0.159 -0.186 0.003) 0.245 8.096 ( -0.567 0.362 -0.098) 0.679 8.372 ( 2.048 -0.012 -0.029) 2.048 8.473 ( 0.285 -0.057 0.749) 0.803 8.992 ( 1.534 0.052 0.145) 1.541 9.125 ( 0.597 0.235 2.416) 2.500 9.147 ( 0.182 -0.072 -2.534) 2.542 9.399 ( -1.561 0.109 -3.301) 3.653 9.455 ( -1.981 -0.095 -0.602) 2.072 9.495 ( -1.521 -0.254 2.187) 2.676 11.875 ( -0.031 0.335 -1.042) 1.095 11.955 ( -0.916 -0.252 -1.045) 1.412 13.588 ( -1.532 -0.601 -0.106) 1.649 13.640 ( -3.469 0.504 -1.198) 3.705 13.828 ( 2.606 1.216 -1.110) 3.083 13.904 ( 2.801 -0.452 0.088) 2.839 14.668 ( -1.650 1.501 -2.853) 3.621 14.787 ( -4.072 0.275 0.182) 4.085 ======================= Grid point 128 (51/124) ======================= q-point: ( 0.29 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 5.268 -4.870 -13.683) 15.450 1.168 ( 5.990 1.860 -9.492) 11.377 1.569 ( 7.903 0.204 -4.657) 9.176 1.747 ( 4.228 1.043 1.695) 4.673 1.857 ( 2.419 0.895 -3.741) 4.544 1.980 ( -1.710 -1.163 9.782) 9.998 2.044 ( 9.319 3.002 -5.377) 11.170 2.226 ( 1.377 2.048 -11.979) 12.230 2.304 ( -0.689 1.631 -3.871) 4.256 2.428 ( -0.460 -4.789 -9.433) 10.589 2.524 ( -0.796 -4.673 1.260) 4.905 2.728 ( -0.912 -2.068 -3.372) 4.059 2.802 ( 0.306 -0.602 1.837) 1.957 2.913 ( 5.121 -0.890 -1.869) 5.524 2.951 ( -0.895 -1.453 -1.872) 2.533 3.175 ( 0.909 2.386 -2.353) 3.472 3.262 ( -1.344 0.023 -4.401) 4.602 3.497 ( -8.431 0.240 -5.281) 9.951 4.441 ( 8.718 0.721 -0.364) 8.756 4.842 ( -3.898 0.071 0.621) 3.947 5.376 ( 2.037 -0.233 0.813) 2.206 5.514 ( -2.037 0.661 2.822) 3.543 6.080 ( 2.482 0.553 0.509) 2.593 6.200 ( -1.077 -0.511 1.952) 2.288 6.305 ( -0.050 -0.229 4.510) 4.516 6.377 ( -2.122 0.345 4.409) 4.905 6.854 ( 1.238 -0.191 -2.015) 2.373 6.867 ( 0.961 -0.128 -2.219) 2.422 7.309 ( 0.424 -0.137 -2.688) 2.725 7.418 ( -2.404 0.129 -1.888) 3.060 8.059 ( -0.067 -0.171 -0.013) 0.184 8.083 ( -0.729 0.153 -0.122) 0.755 8.419 ( 2.464 0.013 0.126) 2.467 8.479 ( 0.229 0.029 0.607) 0.649 9.039 ( 3.266 0.068 0.033) 3.266 9.140 ( 0.834 0.171 1.955) 2.132 9.155 ( 0.655 -0.018 -2.104) 2.203 9.346 ( -3.989 0.168 -1.665) 4.325 9.413 ( -1.743 -0.226 -1.536) 2.334 9.455 ( -2.271 -0.303 1.692) 2.848 11.877 ( 0.236 0.276 -1.021) 1.084 11.932 ( -1.335 -0.162 -1.026) 1.692 13.554 ( -1.731 -0.388 -0.520) 1.848 13.575 ( -2.876 -0.012 -1.397) 3.198 13.884 ( 2.843 0.927 -1.115) 3.192 13.952 ( 1.666 0.626 0.743) 1.929 14.631 ( -1.839 1.333 -2.722) 3.545 14.703 ( -3.855 -0.571 -0.958) 4.013 ======================= Grid point 129 (52/124) ======================= q-point: ( 0.43 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 5.239 -0.492 -11.493) 12.640 1.204 ( -1.393 1.657 -10.840) 11.054 1.698 ( 4.788 -1.299 -1.639) 5.225 1.790 ( -0.501 -1.120 2.711) 2.975 1.898 ( 1.843 -0.170 0.107) 1.854 1.939 ( -1.846 -1.045 6.091) 6.449 2.170 ( 2.113 3.733 -7.735) 8.845 2.244 ( -0.146 5.639 -8.000) 9.789 2.353 ( 5.148 0.814 -3.117) 6.073 2.416 ( -1.052 -2.435 -6.628) 7.140 2.538 ( 2.685 -4.178 -3.465) 6.056 2.673 ( -4.333 -3.528 -9.018) 10.609 2.824 ( 1.925 -2.617 2.878) 4.340 2.886 ( -2.873 -2.964 -0.349) 4.143 3.056 ( 6.007 1.262 0.472) 6.156 3.173 ( -1.579 1.405 -1.829) 2.795 3.254 ( 0.741 0.703 -4.862) 4.968 3.348 ( -5.700 -0.886 -5.682) 8.096 4.607 ( 7.811 0.562 -0.493) 7.846 4.744 ( -5.942 0.333 -0.113) 5.953 5.413 ( 1.374 0.397 1.846) 2.335 5.478 ( -1.362 0.096 2.312) 2.685 6.119 ( 1.284 0.666 0.900) 1.704 6.179 ( -0.794 -0.185 1.496) 1.704 6.312 ( 0.825 0.038 4.389) 4.466 6.338 ( -1.721 0.193 4.191) 4.535 6.871 ( 0.443 -0.154 -1.993) 2.047 6.883 ( 0.516 -0.330 -2.228) 2.311 7.329 ( 1.545 -0.073 -2.418) 2.871 7.369 ( -2.390 0.044 -2.117) 3.193 8.059 ( 0.148 -0.096 -0.021) 0.177 8.070 ( -0.475 -0.081 -0.130) 0.499 8.460 ( 1.455 0.078 0.295) 1.486 8.479 ( -0.325 0.060 0.419) 0.533 9.115 ( 3.773 0.020 -0.007) 3.773 9.150 ( -0.084 0.062 0.861) 0.867 9.176 ( 1.801 0.125 -1.252) 2.197 9.251 ( -5.107 0.184 -0.815) 5.175 9.395 ( -0.044 -0.291 -0.937) 0.982 9.413 ( -1.725 -0.319 0.601) 1.854 11.886 ( 0.707 0.155 -1.013) 1.245 11.906 ( -1.175 -0.020 -1.015) 1.553 13.528 ( -0.649 -0.235 -0.914) 1.145 13.533 ( -1.196 -0.150 -1.221) 1.716 13.934 ( 2.033 0.920 -0.658) 2.326 13.964 ( -0.410 0.894 0.081) 0.986 14.606 ( -0.515 0.748 -2.109) 2.296 14.646 ( -1.672 -0.122 -1.507) 2.254 ======================= Grid point 133 (53/124) ======================= q-point: ( 0.00 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 0.000 -7.307 -14.193) 15.963 0.578 ( 0.000 -18.321 -12.510) 22.184 1.082 ( 0.000 -9.251 -45.496) 46.427 1.292 ( 0.000 5.607 -4.258) 7.040 1.634 ( 0.000 5.829 -0.569) 5.857 1.752 ( 0.000 -2.606 0.346) 2.629 2.079 ( 0.000 11.304 -15.379) 19.086 2.104 ( 0.000 -1.358 2.746) 3.064 2.304 ( 0.000 -3.764 0.925) 3.876 2.399 ( 0.000 -2.176 2.256) 3.134 2.564 ( 0.000 -4.887 -0.658) 4.931 2.685 ( 0.000 -2.748 3.884) 4.758 2.814 ( 0.000 -0.392 5.535) 5.549 2.877 ( 0.000 1.005 3.679) 3.814 2.936 ( 0.000 -0.651 -2.657) 2.736 3.108 ( 0.000 1.434 -0.662) 1.580 3.300 ( 0.000 -5.070 1.880) 5.407 3.670 ( 0.000 3.291 -3.025) 4.470 4.212 ( 0.000 0.113 0.777) 0.786 4.948 ( 0.000 -0.533 1.443) 1.539 5.308 ( 0.000 -0.313 -0.586) 0.664 5.618 ( 0.000 0.338 1.495) 1.533 5.992 ( 0.000 0.261 -0.412) 0.488 6.247 ( 0.000 -2.199 1.556) 2.694 6.400 ( 0.000 -0.128 3.742) 3.744 6.510 ( 0.000 1.272 1.854) 2.248 6.780 ( 0.000 -0.176 -1.356) 1.367 6.807 ( 0.000 0.146 -1.464) 1.472 7.264 ( 0.000 0.535 -2.686) 2.738 7.448 ( 0.000 0.259 -1.156) 1.185 8.063 ( 0.000 -0.072 0.067) 0.098 8.105 ( 0.000 0.255 0.141) 0.291 8.348 ( 0.000 -0.018 -0.057) 0.060 8.483 ( 0.000 -0.108 0.524) 0.535 8.980 ( 0.000 0.039 0.092) 0.100 9.103 ( 0.000 -0.157 -1.612) 1.620 9.178 ( 0.000 0.235 3.427) 3.435 9.340 ( 0.000 0.146 -4.069) 4.072 9.470 ( 0.000 -0.045 -0.249) 0.253 9.545 ( 0.000 -0.186 1.313) 1.326 11.862 ( 0.000 0.472 -0.616) 0.776 11.944 ( 0.000 -0.566 -0.761) 0.948 13.598 ( 0.000 -0.050 -0.761) 0.762 13.683 ( 0.000 1.586 -0.660) 1.718 13.780 ( 0.000 0.628 -1.024) 1.201 13.848 ( 0.000 -0.882 -0.304) 0.933 14.631 ( 0.000 3.975 -5.145) 6.502 14.859 ( 0.000 1.415 0.365) 1.462 ======================= Grid point 134 (54/124) ======================= q-point: ( 0.14 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 6.198 -11.439 -12.603) 18.113 0.740 ( 16.091 -5.255 -11.601) 20.521 1.116 ( 6.959 -3.618 -35.665) 36.518 1.438 ( 10.305 5.311 -5.680) 12.910 1.705 ( 4.472 2.530 0.545) 5.167 1.843 ( 7.854 2.680 3.332) 8.942 2.029 ( -3.288 5.650 -11.480) 13.210 2.148 ( 2.408 1.489 0.411) 2.861 2.294 ( -0.847 -2.695 1.219) 3.077 2.385 ( -1.489 -0.655 1.480) 2.199 2.539 ( -1.034 -5.977 0.978) 6.144 2.713 ( 0.685 -1.667 0.007) 1.802 2.797 ( -0.273 -0.398 4.825) 4.849 2.889 ( 0.897 -0.053 3.482) 3.596 2.940 ( 0.252 -1.267 -1.075) 1.680 3.120 ( 1.203 1.664 -1.100) 2.330 3.254 ( -3.074 -4.460 -1.393) 5.593 3.593 ( -6.698 2.179 -2.618) 7.514 4.287 ( 6.635 0.403 0.309) 6.654 4.921 ( -2.529 -0.278 0.947) 2.715 5.332 ( 2.232 -0.528 -0.162) 2.299 5.598 ( -1.819 0.425 1.436) 2.356 6.032 ( 3.102 1.109 0.270) 3.305 6.231 ( -1.352 -1.610 0.519) 2.165 6.395 ( -0.366 -0.052 3.649) 3.668 6.483 ( -2.098 0.621 1.590) 2.705 6.795 ( 1.275 -0.103 -1.150) 1.720 6.814 ( 0.700 0.035 -1.415) 1.579 7.256 ( -0.374 -0.112 -2.815) 2.842 7.431 ( -1.624 0.266 -1.197) 2.035 8.061 ( -0.182 -0.089 0.043) 0.207 8.098 ( -0.659 0.228 0.060) 0.700 8.372 ( 2.174 0.006 0.065) 2.175 8.485 ( 0.224 -0.060 0.488) 0.540 8.994 ( 1.470 0.077 0.061) 1.473 9.106 ( 0.413 -0.108 -1.563) 1.620 9.182 ( 0.283 0.221 3.291) 3.310 9.331 ( -0.871 0.136 -3.854) 3.954 9.446 ( -2.277 -0.083 -0.281) 2.296 9.527 ( -1.733 -0.276 1.270) 2.166 11.862 ( -0.032 0.438 -0.609) 0.751 11.935 ( -0.873 -0.516 -0.771) 1.274 13.578 ( -1.789 -0.048 -0.929) 2.017 13.613 ( -4.020 -0.550 -1.608) 4.365 13.810 ( 2.469 0.372 -1.065) 2.715 13.935 ( 4.917 2.337 3.058) 6.245 14.611 ( -1.774 3.259 -5.182) 6.373 14.770 ( -6.161 -2.495 -1.579) 6.832 ======================= Grid point 135 (55/124) ======================= q-point: ( 0.29 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 8.961 -5.838 -9.832) 14.528 0.963 ( 7.274 -0.703 -15.172) 16.840 1.302 ( 8.371 2.419 -21.066) 22.797 1.672 ( 9.699 3.344 -5.712) 11.743 1.779 ( 4.331 -1.081 -5.482) 7.069 1.929 ( -0.555 1.095 -6.726) 6.837 2.018 ( 4.602 3.479 1.742) 6.027 2.179 ( 0.653 0.120 3.002) 3.075 2.285 ( 0.089 -1.017 -0.310) 1.067 2.349 ( -1.542 1.282 1.628) 2.583 2.543 ( 1.022 -5.702 1.072) 5.891 2.668 ( -4.397 -0.163 -0.134) 4.402 2.823 ( 1.368 -0.023 1.156) 1.791 2.909 ( 0.711 -2.628 2.512) 3.705 2.955 ( 2.410 -2.052 1.014) 3.324 3.148 ( 1.145 1.701 -1.877) 2.780 3.215 ( -0.810 -1.794 -2.160) 2.922 3.441 ( -7.994 0.904 -1.461) 8.177 4.441 ( 8.352 0.481 -0.156) 8.367 4.852 ( -4.445 0.081 0.398) 4.463 5.386 ( 2.927 -0.579 0.405) 3.011 5.554 ( -2.485 0.306 1.165) 2.761 6.091 ( 2.707 1.468 0.333) 3.097 6.203 ( -1.368 -0.420 -0.372) 1.479 6.389 ( -0.233 -0.009 3.493) 3.501 6.441 ( -2.022 0.222 2.096) 2.921 6.822 ( 1.243 -0.155 -1.164) 1.710 6.831 ( 0.874 -0.168 -1.401) 1.660 7.259 ( 0.759 -0.323 -2.334) 2.476 7.388 ( -2.596 0.204 -1.286) 2.904 8.058 ( -0.074 -0.114 0.033) 0.139 8.083 ( -0.812 0.103 0.009) 0.819 8.422 ( 2.577 0.009 0.109) 2.579 8.489 ( 0.116 0.033 0.398) 0.416 9.040 ( 3.182 0.119 0.000) 3.184 9.122 ( 1.190 -0.022 -1.295) 1.759 9.184 ( -0.221 0.172 2.477) 2.492 9.305 ( -2.016 0.185 -2.566) 3.269 9.392 ( -2.514 -0.223 -0.623) 2.599 9.481 ( -2.783 -0.305 1.074) 2.999 11.863 ( 0.193 0.321 -0.616) 0.721 11.913 ( -1.257 -0.371 -0.741) 1.506 13.538 ( -1.976 -0.103 -1.114) 2.271 13.548 ( -2.597 -0.598 -0.877) 2.806 13.868 ( 3.211 0.441 -0.804) 3.339 13.991 ( 0.826 2.448 2.371) 3.507 14.578 ( -1.125 1.522 -3.789) 4.235 14.671 ( -3.846 -2.276 -1.283) 4.650 ======================= Grid point 136 (56/124) ======================= q-point: ( 0.43 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 8.412 0.297 -7.652) 11.375 1.030 ( -1.256 2.512 -8.602) 9.049 1.448 ( 7.642 0.070 -20.233) 21.629 1.632 ( -7.783 -0.610 -17.541) 19.200 1.903 ( 3.429 2.314 1.707) 4.475 1.947 ( 0.866 1.270 0.724) 1.699 2.148 ( 4.929 -0.325 0.751) 4.996 2.193 ( 2.066 1.392 1.364) 2.840 2.295 ( 1.615 -3.734 -3.708) 5.504 2.342 ( 0.558 2.778 0.097) 2.835 2.551 ( -4.057 -2.438 -2.026) 5.149 2.564 ( -1.596 -1.926 3.112) 3.992 2.839 ( 0.503 -0.475 1.788) 1.918 2.904 ( -0.595 -4.168 4.285) 6.007 3.045 ( 5.443 -0.638 -2.609) 6.069 3.142 ( -2.197 0.544 -3.145) 3.874 3.225 ( 1.854 0.235 -0.279) 1.889 3.298 ( -5.826 0.048 0.070) 5.827 4.604 ( 7.867 0.380 -0.225) 7.880 4.745 ( -6.336 0.260 -0.014) 6.342 5.441 ( 2.489 -0.047 1.031) 2.694 5.505 ( -2.308 -0.287 0.685) 2.424 6.134 ( 1.411 1.601 0.304) 2.156 6.179 ( -0.892 0.342 -0.755) 1.217 6.390 ( 0.418 -0.015 3.190) 3.217 6.407 ( -1.351 0.047 2.700) 3.020 6.839 ( 0.444 -0.165 -1.177) 1.269 6.845 ( 0.449 -0.360 -1.470) 1.579 7.286 ( 1.968 -0.182 -1.832) 2.695 7.334 ( -2.719 0.020 -1.495) 3.103 8.059 ( 0.214 -0.091 0.043) 0.237 8.068 ( -0.575 -0.063 -0.019) 0.579 8.465 ( 1.643 0.071 0.194) 1.656 8.486 ( -0.509 0.075 0.279) 0.585 9.115 ( 3.903 0.093 0.020) 3.904 9.156 ( 2.571 0.081 -0.887) 2.721 9.167 ( -1.563 0.071 0.803) 1.759 9.236 ( -4.678 0.208 -0.847) 4.759 9.380 ( 1.226 -0.296 -0.484) 1.351 9.423 ( -2.821 -0.292 0.524) 2.884 11.871 ( 0.636 0.115 -0.646) 0.914 11.889 ( -1.097 -0.150 -0.703) 1.312 13.509 ( -0.784 -0.199 -0.966) 1.259 13.512 ( -1.030 -0.324 -0.748) 1.314 13.930 ( 2.914 0.887 -0.276) 3.059 13.979 ( -1.738 1.563 0.688) 2.437 14.573 ( 0.450 0.575 -1.771) 1.916 14.613 ( -2.032 -0.785 -1.534) 2.664 ======================= Grid point 140 (57/124) ======================= q-point: ( 0.00 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.161 ( 0.000 -13.686 -0.000) 13.686 0.216 ( 0.000 -18.933 -0.000) 18.933 0.374 ( 0.000 -32.384 -0.000) 32.384 1.281 ( 0.000 4.747 0.000) 4.747 1.660 ( 0.000 5.078 0.000) 5.078 1.740 ( 0.000 -2.490 -0.000) 2.490 1.956 ( 0.000 9.234 0.000) 9.234 2.115 ( 0.000 -1.848 -0.000) 1.848 2.282 ( 0.000 -4.744 -0.000) 4.744 2.436 ( 0.000 0.606 0.000) 0.606 2.523 ( 0.000 -4.358 -0.000) 4.358 2.727 ( 0.000 -1.827 -0.000) 1.827 2.884 ( 0.000 0.337 0.000) 0.337 2.914 ( 0.000 2.694 0.000) 2.694 2.929 ( 0.000 -0.008 -0.000) 0.008 3.123 ( 0.000 -0.324 -0.000) 0.324 3.391 ( 0.000 1.489 0.000) 1.489 3.643 ( 0.000 1.303 0.000) 1.303 4.220 ( 0.000 0.082 0.000) 0.082 4.967 ( 0.000 0.048 0.000) 0.048 5.300 ( 0.000 -0.245 -0.000) 0.245 5.634 ( 0.000 0.105 0.000) 0.105 5.990 ( 0.000 0.197 0.000) 0.197 6.297 ( 0.000 0.500 0.000) 0.500 6.436 ( 0.000 0.153 0.000) 0.153 6.503 ( 0.000 -0.033 -0.000) 0.033 6.766 ( 0.000 -0.117 -0.000) 0.117 6.793 ( 0.000 0.098 0.000) 0.098 7.214 ( 0.000 -0.977 -0.000) 0.977 7.437 ( 0.000 0.360 0.000) 0.360 8.064 ( 0.000 -0.086 -0.000) 0.086 8.110 ( 0.000 0.233 0.000) 0.233 8.347 ( 0.000 -0.015 -0.000) 0.015 8.487 ( 0.000 -0.084 -0.000) 0.084 8.981 ( 0.000 0.032 0.000) 0.032 9.086 ( 0.000 -0.218 -0.000) 0.218 9.234 ( 0.000 0.213 0.000) 0.213 9.281 ( 0.000 0.144 0.000) 0.144 9.467 ( 0.000 -0.034 -0.000) 0.034 9.555 ( 0.000 -0.280 -0.000) 0.280 11.859 ( 0.000 0.438 0.000) 0.438 11.934 ( 0.000 -0.477 -0.000) 0.477 13.570 ( 0.000 -0.231 -0.000) 0.231 13.674 ( 0.000 0.095 0.000) 0.095 13.771 ( 0.000 0.237 0.000) 0.237 13.842 ( 0.000 -0.433 -0.000) 0.433 14.518 ( 0.000 -0.313 -0.000) 0.313 14.860 ( 0.000 0.208 0.000) 0.208 ======================= Grid point 141 (58/124) ======================= q-point: ( 0.14 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 13.738 -7.576 -0.000) 15.688 0.382 ( 11.451 -12.491 -0.000) 16.945 0.722 ( 26.936 -7.924 -0.000) 28.077 1.454 ( 7.237 8.100 0.000) 10.862 1.707 ( 0.539 0.907 0.000) 1.055 1.901 ( -2.177 5.375 0.000) 5.799 2.023 ( 8.857 18.681 0.000) 20.675 2.162 ( 3.684 -0.815 -0.000) 3.773 2.273 ( -0.827 -3.480 -0.000) 3.577 2.414 ( -1.606 1.257 0.000) 2.040 2.510 ( -0.246 -6.097 -0.000) 6.102 2.718 ( -1.223 -1.905 -0.000) 2.264 2.853 ( -1.744 -0.842 -0.000) 1.937 2.911 ( 0.156 -0.401 -0.000) 0.431 2.939 ( 0.857 -1.786 -0.000) 1.981 3.125 ( 0.251 -0.298 -0.000) 0.390 3.185 ( -4.365 -8.346 -0.000) 9.419 3.573 ( -6.093 1.209 0.000) 6.212 4.291 ( 6.359 0.192 0.000) 6.362 4.929 ( -2.781 -0.329 -0.000) 2.801 5.328 ( 2.371 -0.654 -0.000) 2.460 5.613 ( -1.952 0.138 0.000) 1.957 6.052 ( 3.094 2.806 0.000) 4.177 6.229 ( -2.407 -2.460 -0.000) 3.442 6.431 ( -0.387 0.137 0.000) 0.410 6.489 ( -1.204 0.070 0.000) 1.206 6.786 ( 1.188 0.203 0.000) 1.205 6.801 ( 0.671 -0.027 -0.000) 0.671 7.215 ( 0.396 -0.611 -0.000) 0.728 7.421 ( -1.626 0.277 0.000) 1.650 8.061 ( -0.189 -0.052 -0.000) 0.196 8.100 ( -0.726 0.097 0.000) 0.733 8.374 ( 2.131 0.091 0.000) 2.133 8.490 ( 0.213 -0.045 -0.000) 0.218 8.995 ( 1.460 0.101 0.000) 1.464 9.090 ( 0.566 -0.044 -0.000) 0.567 9.237 ( 0.179 0.213 0.000) 0.278 9.272 ( -0.697 0.052 0.000) 0.698 9.443 ( -2.339 -0.073 -0.000) 2.340 9.537 ( -1.733 -0.263 -0.000) 1.753 11.858 ( -0.052 0.399 0.000) 0.403 11.924 ( -0.852 -0.543 -0.000) 1.010 13.554 ( -1.418 -0.219 -0.000) 1.435 13.589 ( -2.860 -1.725 -0.000) 3.340 13.800 ( 2.564 0.110 0.000) 2.566 14.033 ( 3.770 8.662 0.000) 9.447 14.520 ( 0.273 -0.189 -0.000) 0.332 14.718 ( -5.233 -6.440 -0.000) 8.298 ======================= Grid point 142 (59/124) ======================= q-point: ( 0.29 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 13.101 -4.229 -0.000) 13.767 0.694 ( 15.704 -1.654 -0.000) 15.791 1.122 ( 10.961 1.320 0.000) 11.040 1.619 ( -3.351 4.249 0.000) 5.412 1.691 ( 10.807 -0.278 -0.000) 10.811 1.898 ( 2.735 0.166 0.000) 2.740 2.098 ( 0.836 7.432 0.000) 7.479 2.211 ( 0.867 -3.770 -0.000) 3.869 2.253 ( -1.063 -1.083 -0.000) 1.517 2.395 ( -0.497 3.979 0.000) 4.010 2.518 ( 0.693 -4.098 -0.000) 4.156 2.669 ( -3.759 -1.117 -0.000) 3.921 2.858 ( 2.294 0.136 0.000) 2.298 2.916 ( 0.336 -0.679 -0.000) 0.758 2.957 ( 0.954 -4.041 -0.000) 4.152 3.122 ( -0.930 -0.243 -0.000) 0.961 3.178 ( 1.886 -1.047 -0.000) 2.157 3.435 ( -7.278 0.707 0.000) 7.312 4.441 ( 8.247 0.260 0.000) 8.251 4.856 ( -4.613 0.077 0.000) 4.613 5.385 ( 3.222 -0.702 -0.000) 3.298 5.565 ( -2.738 0.066 0.000) 2.739 6.106 ( 2.430 1.720 0.000) 2.977 6.196 ( -1.284 -0.334 -0.000) 1.327 6.423 ( -0.338 0.080 0.000) 0.347 6.460 ( -1.553 0.072 0.000) 1.555 6.810 ( 1.156 -0.078 -0.000) 1.158 6.816 ( 0.801 -0.151 -0.000) 0.816 7.231 ( 1.248 -0.367 -0.000) 1.301 7.376 ( -2.718 0.167 0.000) 2.723 8.058 ( -0.078 -0.067 -0.000) 0.103 8.083 ( -0.863 0.062 0.000) 0.865 8.423 ( 2.598 0.007 0.000) 2.598 8.493 ( 0.085 0.026 0.000) 0.089 9.041 ( 3.174 0.140 0.000) 3.177 9.109 ( 1.350 -0.009 -0.000) 1.350 9.221 ( -1.847 0.145 0.000) 1.853 9.269 ( -0.002 0.120 0.000) 0.120 9.385 ( -2.860 -0.167 -0.000) 2.865 9.490 ( -2.938 -0.237 -0.000) 2.948 11.859 ( 0.125 0.275 0.000) 0.302 11.903 ( -1.176 -0.375 -0.000) 1.235 13.521 ( -1.678 -0.203 -0.000) 1.690 13.538 ( -2.305 -0.573 -0.000) 2.375 13.862 ( 3.494 0.270 0.000) 3.504 14.043 ( -1.432 3.414 0.000) 3.702 14.530 ( 0.835 0.029 0.000) 0.835 14.644 ( -2.953 -2.341 -0.000) 3.768 ======================= Grid point 143 (60/124) ======================= q-point: ( 0.43 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 10.451 1.154 0.000) 10.515 0.937 ( 5.540 1.942 0.000) 5.871 1.231 ( 5.151 0.870 0.000) 5.223 1.423 ( -11.849 1.095 0.000) 11.900 1.935 ( 6.088 2.926 0.000) 6.755 1.979 ( 2.663 1.021 0.000) 2.852 2.141 ( 6.922 -2.627 -0.000) 7.403 2.213 ( -0.390 -4.290 -0.000) 4.307 2.241 ( 0.661 0.201 0.000) 0.691 2.348 ( -5.753 1.866 0.000) 6.049 2.535 ( 1.360 -1.164 -0.000) 1.790 2.585 ( -3.855 0.771 0.000) 3.932 2.912 ( 1.786 0.612 0.000) 1.888 2.922 ( 0.182 -0.923 -0.000) 0.941 2.995 ( 3.690 -3.869 -0.000) 5.346 3.079 ( -3.609 -0.780 -0.000) 3.692 3.229 ( 3.055 0.329 0.000) 3.073 3.307 ( -5.217 0.419 0.000) 5.233 4.603 ( 7.910 0.231 0.000) 7.913 4.746 ( -6.483 0.189 0.000) 6.486 5.449 ( 3.128 -0.463 -0.000) 3.163 5.508 ( -2.914 -0.158 -0.000) 2.918 6.147 ( 1.635 1.258 0.000) 2.063 6.173 ( -1.126 0.725 0.000) 1.339 6.421 ( 0.221 0.013 0.000) 0.221 6.433 ( -1.065 0.016 0.000) 1.065 6.827 ( 0.483 -0.197 -0.000) 0.522 6.828 ( 0.346 -0.212 -0.000) 0.406 7.266 ( 2.285 -0.190 -0.000) 2.293 7.319 ( -2.937 -0.004 -0.000) 2.937 8.059 ( 0.248 -0.075 -0.000) 0.259 8.068 ( -0.633 -0.029 -0.000) 0.633 8.467 ( 1.721 0.047 0.000) 1.721 8.489 ( -0.577 0.066 0.000) 0.581 9.116 ( 3.989 0.142 0.000) 3.992 9.147 ( 2.796 0.010 0.000) 2.796 9.177 ( -2.482 0.061 0.000) 2.483 9.227 ( -4.238 0.158 0.000) 4.241 9.374 ( 1.768 -0.227 -0.000) 1.782 9.427 ( -3.198 -0.216 -0.000) 3.206 11.865 ( 0.550 0.074 0.000) 0.555 11.881 ( -1.008 -0.162 -0.000) 1.021 13.497 ( -0.566 -0.196 -0.000) 0.599 13.503 ( -1.119 -0.264 -0.000) 1.150 13.933 ( 3.516 0.704 0.000) 3.586 13.997 ( -2.942 1.542 0.000) 3.322 14.554 ( 1.570 -0.005 -0.000) 1.570 14.592 ( -2.293 -0.635 -0.000) 2.380 ======================= Grid point 161 (61/124) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 0.000 0.000 10.582) 10.582 1.427 ( 0.000 -0.000 -8.651) 8.651 1.473 ( 0.000 0.000 13.891) 13.891 1.540 ( 0.000 0.000 1.234) 1.234 1.750 ( 0.000 -0.000 -1.864) 1.864 1.802 ( 0.000 -0.000 -4.614) 4.614 1.889 ( 0.000 0.000 1.322) 1.322 2.181 ( 0.000 -0.000 -4.819) 4.819 2.292 ( 0.000 -0.000 -0.216) 0.216 2.434 ( 0.000 -0.000 -7.116) 7.116 2.524 ( 0.000 -0.000 -1.232) 1.232 2.683 ( 0.000 0.000 1.678) 1.678 2.879 ( 0.000 0.000 2.893) 2.893 3.067 ( 0.000 0.000 0.846) 0.846 3.089 ( 0.000 0.000 2.124) 2.124 3.373 ( 0.000 0.000 4.762) 4.762 3.921 ( 0.000 0.000 18.131) 18.131 4.141 ( 0.000 -0.000 -0.991) 0.991 4.300 ( 0.000 0.000 20.056) 20.056 4.854 ( 0.000 -0.000 -1.281) 1.281 5.338 ( 0.000 -0.000 -10.035) 10.035 5.340 ( 0.000 0.000 0.284) 0.284 5.941 ( 0.000 -0.000 -7.550) 7.550 6.028 ( 0.000 0.000 0.357) 0.357 6.174 ( 0.000 -0.000 -5.901) 5.901 6.255 ( 0.000 0.000 0.226) 0.226 6.891 ( 0.000 0.000 1.403) 1.403 6.922 ( 0.000 0.000 1.278) 1.278 7.392 ( 0.000 0.000 1.207) 1.207 7.525 ( 0.000 0.000 0.901) 0.901 8.064 ( 0.000 0.000 0.169) 0.169 8.115 ( 0.000 0.000 0.173) 0.173 8.356 ( 0.000 0.000 0.145) 0.145 8.443 ( 0.000 -0.000 -0.394) 0.394 8.969 ( 0.000 -0.000 -0.197) 0.197 9.057 ( 0.000 -0.000 -0.861) 0.861 9.261 ( 0.000 0.000 2.745) 2.745 9.409 ( 0.000 -0.000 -2.455) 2.455 9.488 ( 0.000 0.000 0.197) 0.197 9.517 ( 0.000 0.000 1.525) 1.525 11.915 ( 0.000 0.000 0.625) 0.625 11.996 ( 0.000 0.000 0.419) 0.419 13.593 ( 0.000 0.000 0.016) 0.016 13.700 ( 0.000 -0.000 -0.195) 0.195 13.822 ( 0.000 -0.000 -0.520) 0.520 13.917 ( 0.000 0.000 1.959) 1.959 14.749 ( 0.000 0.000 0.766) 0.766 14.796 ( 0.000 -0.000 -1.225) 1.225 ======================= Grid point 162 (62/124) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 6.284 0.000 6.478) 9.025 1.396 ( -2.368 -0.000 -3.383) 4.129 1.508 ( 3.203 0.000 5.338) 6.225 1.587 ( 4.851 0.000 1.460) 5.066 1.781 ( 2.483 0.000 1.630) 2.971 1.810 ( 0.984 -0.000 -2.256) 2.462 1.936 ( 5.120 0.000 1.282) 5.278 2.200 ( 1.847 -0.000 -5.196) 5.515 2.287 ( -0.339 -0.000 -0.717) 0.793 2.446 ( 1.236 -0.000 -6.725) 6.838 2.507 ( -1.561 -0.000 -1.540) 2.193 2.701 ( 1.458 0.000 1.658) 2.208 2.890 ( 0.963 0.000 2.229) 2.428 3.022 ( -2.703 0.000 0.954) 2.866 3.126 ( 1.898 0.000 1.836) 2.641 3.355 ( -1.790 0.000 4.125) 4.497 3.915 ( -0.542 0.000 18.205) 18.213 4.059 ( -5.573 0.000 7.953) 9.711 4.402 ( 7.617 0.000 12.000) 14.213 4.847 ( -0.661 -0.000 -1.050) 1.241 5.328 ( -0.905 -0.000 -9.794) 9.836 5.338 ( -0.188 -0.000 -0.154) 0.243 5.941 ( 0.003 -0.000 -7.471) 7.471 6.017 ( -0.981 -0.000 -1.286) 1.618 6.188 ( 1.267 -0.000 -4.407) 4.585 6.253 ( -0.232 0.000 0.204) 0.308 6.901 ( 0.997 0.000 1.368) 1.693 6.928 ( 0.546 0.000 1.274) 1.386 7.390 ( -0.152 0.000 1.217) 1.226 7.512 ( -1.291 0.000 0.910) 1.579 8.063 ( -0.107 0.000 0.172) 0.203 8.109 ( -0.633 0.000 0.192) 0.662 8.375 ( 1.804 0.000 0.100) 1.806 8.449 ( 0.479 -0.000 -0.375) 0.608 8.985 ( 1.672 -0.000 -0.178) 1.681 9.066 ( 0.876 -0.000 -0.822) 1.201 9.256 ( -0.574 0.000 2.495) 2.560 9.401 ( -0.639 -0.000 -2.144) 2.237 9.456 ( -2.999 0.000 0.290) 3.013 9.508 ( -1.068 0.000 1.373) 1.740 11.914 ( -0.072 0.000 0.617) 0.621 11.987 ( -0.885 0.000 0.433) 0.986 13.584 ( -0.838 0.000 0.091) 0.843 13.666 ( -2.754 0.000 0.095) 2.756 13.858 ( 2.969 -0.000 -0.697) 3.049 13.931 ( 1.287 0.000 1.801) 2.213 14.734 ( -1.476 0.000 0.715) 1.640 14.773 ( -2.132 -0.000 -0.825) 2.286 ======================= Grid point 163 (63/124) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 1.184 -0.000 -1.992) 2.317 1.354 ( -1.542 -0.000 -5.234) 5.457 1.588 ( 4.493 0.000 2.558) 5.170 1.688 ( 3.647 0.000 0.902) 3.757 1.825 ( 1.726 0.000 5.903) 6.150 1.837 ( 1.293 0.000 4.810) 4.981 2.110 ( 11.652 0.000 1.150) 11.709 2.245 ( 2.353 -0.000 -4.793) 5.340 2.285 ( 0.310 -0.000 -1.224) 1.262 2.469 ( -2.158 -0.000 -1.953) 2.911 2.486 ( 3.086 -0.000 -6.655) 7.335 2.725 ( 0.643 0.000 0.495) 0.812 2.906 ( 0.387 0.000 1.221) 1.281 2.968 ( -2.827 0.000 0.843) 2.950 3.159 ( 1.581 0.000 1.776) 2.378 3.308 ( -2.780 0.000 2.606) 3.811 3.902 ( -0.671 0.000 18.378) 18.391 3.962 ( -3.965 0.000 13.974) 14.526 4.558 ( 7.671 0.000 7.715) 10.880 4.826 ( -1.541 -0.000 -0.101) 1.545 5.308 ( -0.904 -0.000 -8.977) 9.022 5.329 ( -0.741 -0.000 -1.635) 1.795 5.943 ( 0.213 -0.000 -7.162) 7.165 5.993 ( -1.314 -0.000 -3.733) 3.958 6.216 ( 1.318 -0.000 -2.254) 2.611 6.248 ( -0.221 0.000 0.099) 0.242 6.925 ( 1.286 0.000 1.302) 1.830 6.941 ( 0.680 0.000 1.265) 1.436 7.389 ( 0.244 0.000 1.207) 1.231 7.478 ( -2.080 0.000 0.949) 2.286 8.062 ( 0.042 0.000 0.190) 0.194 8.093 ( -0.872 0.000 0.226) 0.901 8.417 ( 2.180 -0.000 -0.009) 2.180 8.459 ( 0.511 -0.000 -0.320) 0.603 9.036 ( 3.456 -0.000 -0.123) 3.458 9.091 ( 1.641 -0.000 -0.687) 1.779 9.238 ( -1.228 0.000 1.608) 2.024 9.376 ( -4.966 0.000 0.250) 4.972 9.391 ( -0.196 -0.000 -1.139) 1.155 9.476 ( -2.031 0.000 1.218) 2.368 11.915 ( 0.158 0.000 0.586) 0.607 11.965 ( -1.282 0.000 0.466) 1.364 13.565 ( -0.921 0.000 0.267) 0.959 13.609 ( -2.658 0.000 0.421) 2.691 13.919 ( 2.913 -0.000 -0.644) 2.983 13.960 ( 1.391 0.000 1.346) 1.936 14.699 ( -1.763 0.000 0.616) 1.867 14.723 ( -2.614 -0.000 -0.080) 2.615 ======================= Grid point 164 (64/124) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -0.240 -0.000 -7.181) 7.185 1.340 ( -0.279 -0.000 -6.446) 6.452 1.671 ( 3.610 0.000 1.279) 3.830 1.716 ( -0.615 -0.000 -0.171) 0.638 1.847 ( 0.570 0.000 8.056) 8.077 1.851 ( 0.151 0.000 8.667) 8.668 2.270 ( 1.903 -0.000 -0.983) 2.142 2.277 ( 0.680 -0.000 -2.756) 2.839 2.338 ( 5.764 -0.000 -0.037) 5.764 2.421 ( -2.886 -0.000 -1.694) 3.347 2.587 ( 7.050 -0.000 -5.781) 9.117 2.706 ( -3.418 -0.000 -2.735) 4.377 2.903 ( -0.369 0.000 1.123) 1.182 2.914 ( -1.998 0.000 1.445) 2.465 3.197 ( 2.351 0.000 1.501) 2.789 3.250 ( -2.951 0.000 1.507) 3.313 3.893 ( -0.044 0.000 18.357) 18.357 3.907 ( -1.601 0.000 17.271) 17.345 4.693 ( 5.756 0.000 4.804) 7.497 4.781 ( -3.224 0.000 1.978) 3.782 5.299 ( 0.085 -0.000 -7.141) 7.142 5.311 ( -0.960 -0.000 -4.264) 4.371 5.951 ( 0.655 -0.000 -6.498) 6.531 5.969 ( -1.116 -0.000 -5.412) 5.526 6.236 ( 0.672 -0.000 -0.903) 1.125 6.244 ( -0.230 -0.000 -0.206) 0.309 6.946 ( 0.695 0.000 1.264) 1.442 6.951 ( 0.196 0.000 1.259) 1.274 7.403 ( 1.185 0.000 1.136) 1.641 7.435 ( -2.017 0.000 1.031) 2.266 8.066 ( 0.375 0.000 0.219) 0.434 8.077 ( -0.719 0.000 0.238) 0.757 8.452 ( 1.224 -0.000 -0.131) 1.231 8.465 ( -0.088 -0.000 -0.237) 0.253 9.113 ( 3.550 -0.000 -0.086) 3.551 9.126 ( 1.534 -0.000 -0.393) 1.584 9.215 ( -0.387 0.000 0.490) 0.625 9.270 ( -5.203 0.000 0.182) 5.206 9.400 ( 1.162 0.000 0.119) 1.168 9.434 ( -2.091 0.000 0.883) 2.270 11.922 ( 0.646 0.000 0.543) 0.844 11.940 ( -1.123 0.000 0.503) 1.231 13.554 ( -0.042 0.000 0.452) 0.454 13.568 ( -1.432 0.000 0.536) 1.529 13.965 ( 1.545 -0.000 -0.131) 1.551 13.978 ( 0.217 0.000 0.641) 0.677 14.674 ( -0.569 0.000 0.540) 0.785 14.681 ( -1.338 0.000 0.391) 1.394 ======================= Grid point 168 (65/124) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 -1.970 1.656) 2.573 1.343 ( 0.000 3.238 2.386) 4.023 1.523 ( 0.000 -1.192 -3.039) 3.265 1.597 ( 0.000 -0.307 -1.328) 1.363 1.729 ( 0.000 -0.519 -0.400) 0.655 1.770 ( 0.000 -0.020 1.204) 1.204 1.876 ( 0.000 0.417 -2.368) 2.404 2.184 ( 0.000 -1.086 5.661) 5.764 2.301 ( 0.000 1.764 0.859) 1.962 2.368 ( 0.000 -0.020 0.557) 0.558 2.499 ( 0.000 -0.468 -1.185) 1.274 2.706 ( 0.000 0.180 0.805) 0.825 2.879 ( 0.000 0.402 -1.481) 1.535 3.067 ( 0.000 -0.343 -0.598) 0.689 3.114 ( 0.000 -0.094 0.343) 0.356 3.417 ( 0.000 -0.001 -0.120) 0.120 4.111 ( 0.000 0.030 0.454) 0.455 4.131 ( 0.000 0.006 -0.056) 0.056 4.543 ( 0.000 -0.064 -0.334) 0.340 4.839 ( 0.000 0.015 0.009) 0.018 5.197 ( 0.000 -0.015 -0.307) 0.308 5.343 ( 0.000 0.000 0.095) 0.095 5.860 ( 0.000 0.007 -0.086) 0.086 6.030 ( 0.000 -0.001 -0.110) 0.110 6.113 ( 0.000 -0.020 -0.176) 0.178 6.266 ( 0.000 0.040 0.801) 0.802 6.906 ( 0.000 -0.001 0.112) 0.112 6.934 ( 0.000 0.002 -0.079) 0.079 7.403 ( 0.000 -0.016 -0.012) 0.020 7.535 ( 0.000 0.010 0.059) 0.060 8.067 ( 0.000 -0.007 0.128) 0.128 8.115 ( 0.000 0.008 -0.203) 0.203 8.357 ( 0.000 -0.001 0.003) 0.003 8.440 ( 0.000 0.001 0.033) 0.033 8.966 ( 0.000 0.000 -0.007) 0.007 9.048 ( 0.000 -0.000 -0.093) 0.093 9.291 ( 0.000 0.004 -0.214) 0.214 9.382 ( 0.000 -0.013 0.232) 0.233 9.490 ( 0.000 -0.000 0.019) 0.019 9.532 ( 0.000 0.006 0.026) 0.027 11.921 ( 0.000 -0.013 -0.070) 0.071 11.999 ( 0.000 0.011 -0.096) 0.096 13.595 ( 0.000 0.013 0.186) 0.186 13.697 ( 0.000 -0.010 -0.131) 0.132 13.810 ( 0.000 0.000 -0.631) 0.631 13.943 ( 0.000 -0.000 0.717) 0.717 14.757 ( 0.000 0.001 0.016) 0.016 14.778 ( 0.000 -0.006 -0.549) 0.549 ======================= Grid point 169 (66/124) ======================= q-point: ( 0.14 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( -1.973 -0.212 -1.078) 2.258 1.354 ( -0.536 0.528 2.980) 3.074 1.567 ( 0.717 -0.357 -1.123) 1.379 1.578 ( 5.361 -0.019 -2.265) 5.819 1.808 ( 4.946 -1.081 0.758) 5.119 1.821 ( 5.892 0.749 -0.162) 5.942 1.934 ( 5.801 0.110 -1.723) 6.053 2.190 ( 0.723 -1.526 5.680) 5.925 2.288 ( -0.888 2.104 1.052) 2.515 2.385 ( 1.262 0.113 0.596) 1.401 2.479 ( -1.779 -0.420 -1.205) 2.189 2.727 ( 1.638 -0.194 1.198) 2.039 2.887 ( 0.712 0.201 -1.332) 1.523 3.025 ( -2.920 0.927 -0.820) 3.172 3.142 ( 1.663 -1.092 0.132) 1.994 3.391 ( -2.522 0.128 -0.243) 2.537 4.106 ( -0.519 0.010 0.394) 0.652 4.120 ( -1.016 0.029 0.184) 1.033 4.584 ( 3.840 -0.055 -0.512) 3.874 4.835 ( -0.397 0.011 -0.036) 0.399 5.190 ( -0.538 -0.013 -0.217) 0.580 5.337 ( -0.684 0.003 0.125) 0.696 5.861 ( 0.082 0.005 -0.109) 0.137 5.998 ( -2.414 0.001 -0.157) 2.419 6.148 ( 2.563 -0.035 -0.127) 2.566 6.262 ( -0.325 0.051 0.717) 0.789 6.916 ( 0.958 0.002 0.105) 0.964 6.940 ( 0.557 -0.005 -0.061) 0.560 7.401 ( -0.148 -0.012 -0.011) 0.149 7.521 ( -1.298 0.008 0.043) 1.298 8.066 ( -0.114 -0.010 0.116) 0.163 8.109 ( -0.579 0.012 -0.161) 0.601 8.376 ( 1.757 -0.002 -0.000) 1.757 8.445 ( 0.485 0.001 0.017) 0.485 8.983 ( 1.688 0.000 -0.011) 1.688 9.057 ( 0.924 -0.000 -0.082) 0.928 9.282 ( -0.945 0.004 -0.165) 0.959 9.379 ( -0.189 -0.012 0.210) 0.283 9.459 ( -2.990 0.001 0.009) 2.990 9.522 ( -1.126 0.005 0.045) 1.127 11.920 ( -0.085 -0.011 -0.072) 0.112 11.990 ( -0.867 0.009 -0.093) 0.872 13.587 ( -0.804 0.011 0.147) 0.818 13.666 ( -2.515 -0.006 -0.056) 2.515 13.845 ( 2.872 -0.001 -0.691) 2.954 13.955 ( 1.050 -0.002 0.634) 1.227 14.740 ( -1.577 0.001 -0.046) 1.577 14.760 ( -1.742 -0.005 -0.468) 1.804 ======================= Grid point 170 (67/124) ======================= q-point: ( 0.29 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -3.431 -3.457 -1.535) 5.106 1.316 ( -2.431 3.634 -0.694) 4.427 1.604 ( 3.232 -0.197 -0.833) 3.344 1.683 ( 2.929 0.096 -0.360) 2.952 1.917 ( 4.301 -1.843 -0.010) 4.679 1.939 ( 5.306 1.818 0.138) 5.610 2.121 ( 12.366 -0.419 0.166) 12.374 2.217 ( 2.170 -2.143 5.282) 6.099 2.280 ( 0.545 2.709 1.802) 3.299 2.411 ( 1.698 0.257 -0.049) 1.718 2.438 ( -2.264 -0.266 -1.330) 2.640 2.746 ( -0.362 -0.679 1.741) 1.904 2.899 ( 0.273 -0.707 -0.818) 1.115 2.968 ( -2.630 2.083 -1.482) 3.668 3.171 ( 1.391 -1.524 -0.034) 2.064 3.328 ( -3.493 0.522 -0.465) 3.563 4.093 ( -0.704 -0.137 0.320) 0.785 4.098 ( -0.972 0.169 0.477) 1.096 4.677 ( 5.014 -0.038 -0.751) 5.070 4.825 ( -0.656 0.006 -0.190) 0.683 5.184 ( 0.112 -0.008 0.012) 0.113 5.311 ( -1.998 0.008 0.195) 2.007 5.866 ( 0.460 0.003 -0.164) 0.489 5.950 ( -2.294 0.006 -0.201) 2.302 6.196 ( 2.130 -0.102 -0.050) 2.133 6.255 ( -0.399 0.110 0.505) 0.653 6.939 ( 1.226 -0.040 0.088) 1.230 6.953 ( 0.714 0.030 -0.015) 0.715 7.401 ( 0.224 -0.004 -0.012) 0.224 7.487 ( -2.069 0.005 0.010) 2.069 8.065 ( 0.038 -0.025 0.091) 0.102 8.095 ( -0.811 0.029 -0.070) 0.814 8.417 ( 2.110 -0.010 -0.012) 2.110 8.456 ( 0.536 0.007 -0.010) 0.536 9.034 ( 3.489 0.001 -0.013) 3.489 9.084 ( 1.749 -0.000 -0.055) 1.750 9.254 ( -1.896 0.002 -0.076) 1.898 9.378 ( -4.904 -0.019 -0.004) 4.904 9.381 ( 0.448 0.012 0.163) 0.477 9.489 ( -2.112 0.004 0.080) 2.113 11.920 ( 0.132 -0.007 -0.078) 0.153 11.968 ( -1.257 0.006 -0.089) 1.260 13.569 ( -0.856 0.006 0.077) 0.860 13.614 ( -2.523 -0.002 0.024) 2.523 13.907 ( 3.114 -0.006 -0.677) 3.187 13.977 ( 0.934 0.003 0.375) 1.006 14.703 ( -1.875 -0.021 -0.167) 1.882 14.718 ( -2.223 0.019 -0.322) 2.246 ======================= Grid point 171 (68/124) ======================= q-point: ( 0.43 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -1.381 -6.560 -2.142) 7.038 1.279 ( -1.044 6.853 -2.182) 7.268 1.669 ( 2.829 -0.226 -0.400) 2.866 1.704 ( -0.506 0.006 -0.161) 0.531 1.969 ( 1.192 -2.950 0.485) 3.219 2.007 ( 1.579 3.260 0.383) 3.643 2.235 ( 1.201 -4.525 4.419) 6.438 2.289 ( 1.680 4.559 3.977) 6.279 2.343 ( 3.558 0.052 0.600) 3.609 2.390 ( -2.215 -0.429 -1.202) 2.557 2.513 ( 9.585 0.203 -1.459) 9.697 2.688 ( -6.170 -0.169 0.475) 6.190 2.891 ( -0.740 -3.461 -0.494) 3.573 2.935 ( -0.628 3.731 -0.589) 3.829 3.201 ( 1.672 -2.115 -0.319) 2.715 3.264 ( -2.633 1.556 -0.493) 3.098 4.081 ( -0.348 -0.341 0.409) 0.636 4.085 ( -0.323 0.357 0.432) 0.647 4.763 ( 3.297 -0.047 -0.743) 3.380 4.807 ( -1.326 0.022 -0.471) 1.407 5.205 ( 2.101 -0.003 0.223) 2.113 5.259 ( -3.057 0.010 0.260) 3.068 5.881 ( 1.107 -0.006 -0.212) 1.127 5.910 ( -1.771 0.018 -0.224) 1.786 6.228 ( 1.058 -0.395 0.087) 1.133 6.246 ( -0.426 0.398 0.253) 0.636 6.958 ( 0.568 -0.313 0.060) 0.651 6.964 ( 0.317 0.300 0.037) 0.438 7.414 ( 1.136 -0.008 -0.015) 1.136 7.445 ( -1.975 0.008 -0.011) 1.975 8.068 ( 0.341 -0.097 0.060) 0.360 8.080 ( -0.660 0.103 0.012) 0.668 8.451 ( 1.143 -0.057 -0.023) 1.145 8.462 ( -0.024 0.053 -0.026) 0.063 9.112 ( 3.528 -0.000 -0.003) 3.528 9.122 ( 1.733 -0.000 -0.021) 1.734 9.219 ( -0.789 -0.002 -0.044) 0.790 9.272 ( -5.226 0.004 -0.027) 5.226 9.403 ( 1.664 -0.007 0.140) 1.670 9.444 ( -2.310 0.004 0.115) 2.313 11.927 ( 0.618 -0.004 -0.084) 0.623 11.944 ( -1.097 0.003 -0.087) 1.101 13.559 ( 0.023 -0.009 0.039) 0.046 13.573 ( -1.427 0.010 0.039) 1.428 13.959 ( 2.035 -0.041 -0.436) 2.081 13.984 ( -0.364 0.042 -0.031) 0.367 14.676 ( -0.687 -0.151 -0.233) 0.741 14.683 ( -1.121 0.148 -0.247) 1.157 ======================= Grid point 175 (69/124) ======================= q-point: ( 0.00 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.000 -2.207 -7.537) 7.853 1.392 ( 0.000 2.166 3.796) 4.371 1.471 ( 0.000 -0.112 -0.289) 0.309 1.482 ( 0.000 -0.546 -8.771) 8.788 1.733 ( 0.000 -0.712 1.459) 1.623 1.834 ( 0.000 1.759 -2.103) 2.742 1.837 ( 0.000 -0.399 5.324) 5.339 2.266 ( 0.000 -4.729 3.511) 5.890 2.361 ( 0.000 1.730 2.446) 2.996 2.442 ( 0.000 -0.179 6.586) 6.588 2.502 ( 0.000 0.543 2.916) 2.966 2.716 ( 0.000 -0.204 0.274) 0.342 2.851 ( 0.000 1.766 -2.354) 2.943 3.040 ( 0.000 -0.740 -2.014) 2.146 3.099 ( 0.000 -0.365 -1.709) 1.748 3.369 ( 0.000 0.226 -5.300) 5.305 3.934 ( 0.000 -0.079 -17.696) 17.696 4.139 ( 0.000 0.043 0.894) 0.895 4.282 ( 0.000 0.103 -21.451) 21.451 4.857 ( 0.000 -0.025 1.581) 1.581 5.327 ( 0.000 0.158 9.474) 9.476 5.343 ( 0.000 -0.062 -0.102) 0.119 5.940 ( 0.000 0.044 7.592) 7.592 6.024 ( 0.000 0.068 -0.548) 0.552 6.168 ( 0.000 0.053 5.521) 5.521 6.284 ( 0.000 -0.379 1.170) 1.230 6.895 ( 0.000 -0.079 -1.217) 1.219 6.920 ( 0.000 0.060 -1.417) 1.419 7.391 ( 0.000 -0.032 -1.218) 1.219 7.527 ( 0.000 -0.007 -0.840) 0.840 8.069 ( 0.000 -0.121 0.069) 0.139 8.108 ( 0.000 0.175 -0.581) 0.606 8.356 ( 0.000 -0.003 -0.138) 0.138 8.445 ( 0.000 -0.021 0.458) 0.458 8.968 ( 0.000 0.005 0.180) 0.180 9.054 ( 0.000 0.059 0.692) 0.695 9.257 ( 0.000 0.068 -2.748) 2.749 9.414 ( 0.000 -0.108 2.558) 2.560 9.488 ( 0.000 -0.012 -0.164) 0.165 9.518 ( 0.000 0.002 -1.525) 1.525 11.913 ( 0.000 0.028 -0.790) 0.791 11.994 ( 0.000 0.061 -0.445) 0.449 13.601 ( 0.000 -0.115 0.413) 0.428 13.693 ( 0.000 0.100 -0.307) 0.323 13.799 ( 0.000 0.334 -0.659) 0.739 13.943 ( 0.000 -0.390 -0.619) 0.731 14.749 ( 0.000 0.070 -0.966) 0.969 14.776 ( 0.000 0.274 0.255) 0.374 ======================= Grid point 176 (70/124) ======================= q-point: ( 0.14 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -0.076 -1.483 -3.246) 3.570 1.366 ( -1.528 0.565 2.678) 3.134 1.497 ( 3.012 0.319 -4.959) 5.811 1.531 ( 6.738 0.954 -1.665) 7.006 1.773 ( 3.255 -0.730 -1.310) 3.583 1.848 ( 1.205 -0.350 2.589) 2.877 1.891 ( 6.172 1.023 -2.396) 6.700 2.276 ( 0.972 -3.898 3.608) 5.399 2.361 ( 0.160 1.064 2.651) 2.861 2.460 ( 1.086 -0.764 6.353) 6.490 2.493 ( -0.252 1.052 4.902) 5.020 2.741 ( 2.036 -1.178 0.526) 2.411 2.861 ( 0.955 1.645 -2.231) 2.932 3.002 ( -3.037 1.558 -2.291) 4.111 3.117 ( 1.188 -1.979 -1.808) 2.932 3.349 ( -1.978 0.481 -4.637) 5.064 3.926 ( -0.714 -0.080 -17.868) 17.883 4.065 ( -4.974 -0.127 -8.159) 9.556 4.382 ( 7.448 0.248 -12.938) 14.931 4.848 ( -0.846 0.006 1.238) 1.500 5.318 ( -0.815 0.083 8.999) 9.036 5.343 ( -0.113 -0.011 0.494) 0.507 5.939 ( -0.035 0.050 7.526) 7.526 6.013 ( -0.999 0.074 1.176) 1.545 6.182 ( 1.324 0.011 4.009) 4.222 6.278 ( -0.528 -0.301 0.998) 1.169 6.905 ( 0.976 -0.070 -1.191) 1.541 6.926 ( 0.615 0.036 -1.365) 1.497 7.389 ( -0.142 -0.025 -1.218) 1.226 7.513 ( -1.344 -0.002 -0.878) 1.605 8.067 ( -0.147 -0.114 0.044) 0.192 8.103 ( -0.489 0.149 -0.520) 0.729 8.375 ( 1.790 -0.003 -0.096) 1.793 8.449 ( 0.431 -0.010 0.410) 0.595 8.984 ( 1.662 0.008 0.153) 1.669 9.063 ( 0.911 0.052 0.671) 1.132 9.253 ( -0.504 0.054 -2.494) 2.545 9.406 ( -0.633 -0.109 2.280) 2.369 9.456 ( -3.030 -0.000 -0.299) 3.045 9.509 ( -1.008 -0.015 -1.315) 1.657 11.912 ( -0.074 0.031 -0.780) 0.784 11.985 ( -0.887 0.058 -0.467) 1.004 13.590 ( -0.965 -0.090 0.259) 1.003 13.663 ( -2.520 0.045 -0.353) 2.545 13.833 ( 2.812 0.367 -0.694) 2.919 13.954 ( 0.997 -0.329 -0.588) 1.203 14.731 ( -1.683 0.093 -1.031) 1.976 14.757 ( -1.823 0.235 0.097) 1.841 ======================= Grid point 177 (71/124) ======================= q-point: ( 0.29 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -4.019 -2.379 4.015) 6.159 1.355 ( -1.317 3.768 1.487) 4.259 1.575 ( 4.809 -0.110 -1.462) 5.028 1.672 ( 4.788 0.441 -1.478) 5.030 1.835 ( 2.575 -0.542 -4.971) 5.625 1.876 ( 1.499 -0.536 -3.495) 3.841 2.098 ( 13.708 0.102 -2.328) 13.904 2.303 ( 1.874 -2.083 2.837) 3.988 2.367 ( 0.277 -0.476 1.759) 1.843 2.454 ( -0.956 -1.051 6.721) 6.869 2.517 ( 2.030 1.422 9.021) 9.356 2.773 ( 0.472 -2.561 1.710) 3.115 2.873 ( -0.584 -0.224 -2.038) 2.132 2.944 ( -1.884 4.466 -2.614) 5.507 3.139 ( 1.106 -2.627 -2.093) 3.536 3.298 ( -2.879 1.149 -3.348) 4.563 3.910 ( -0.733 -0.129 -18.137) 18.152 3.978 ( -3.613 -0.249 -13.539) 14.015 4.536 ( 7.732 0.335 -8.411) 11.430 4.822 ( -1.876 0.092 0.049) 1.879 5.301 ( -0.703 -0.045 7.991) 8.022 5.335 ( -0.708 0.061 1.967) 2.091 5.940 ( 0.164 0.062 7.253) 7.255 5.989 ( -1.312 0.077 3.753) 3.976 6.211 ( 1.406 -0.140 1.900) 2.368 6.266 ( -0.622 -0.062 0.637) 0.893 6.928 ( 1.189 -0.132 -1.144) 1.656 6.941 ( 0.840 0.065 -1.247) 1.505 7.389 ( 0.243 -0.010 -1.200) 1.224 7.478 ( -2.128 0.008 -0.962) 2.336 8.065 ( -0.020 -0.113 -0.018) 0.116 8.091 ( -0.686 0.107 -0.377) 0.790 8.417 ( 2.148 -0.008 -0.003) 2.148 8.459 ( 0.474 0.017 0.301) 0.562 9.035 ( 3.461 0.010 0.093) 3.462 9.089 ( 1.698 0.035 0.582) 1.795 9.236 ( -1.180 0.031 -1.631) 2.013 9.375 ( -4.987 0.004 -0.293) 4.995 9.396 ( -0.210 -0.099 1.343) 1.363 9.479 ( -1.962 -0.041 -1.085) 2.242 11.912 ( 0.156 0.039 -0.743) 0.760 11.962 ( -1.289 0.054 -0.522) 1.392 13.569 ( -1.042 -0.048 -0.064) 1.045 13.610 ( -2.553 -0.012 -0.436) 2.590 13.894 ( 3.132 0.354 -0.763) 3.242 13.974 ( 0.775 -0.156 -0.588) 0.985 14.692 ( -1.964 0.084 -1.115) 2.261 14.713 ( -2.350 0.218 -0.276) 2.376 ======================= Grid point 178 (72/124) ======================= q-point: ( 0.43 -0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -1.565 -3.328 5.818) 6.883 1.332 ( -0.714 5.908 2.758) 6.559 1.665 ( 3.792 -0.333 0.076) 3.807 1.711 ( -0.478 0.009 0.515) 0.703 1.865 ( 0.576 -1.660 -6.575) 6.805 1.903 ( 0.926 0.715 -7.768) 7.856 2.305 ( 3.846 -1.289 0.777) 4.131 2.357 ( -0.197 -0.914 -0.689) 1.162 2.385 ( 5.444 -0.601 1.878) 5.791 2.441 ( -0.288 -1.434 7.990) 8.123 2.575 ( 4.796 1.600 7.557) 9.093 2.715 ( -6.543 0.220 2.688) 7.077 2.853 ( -0.255 -3.031 -1.427) 3.360 2.938 ( 0.282 3.686 -1.388) 3.949 3.161 ( 0.920 -2.707 -2.525) 3.815 3.247 ( -1.802 2.210 -2.437) 3.751 3.903 ( 0.112 -0.347 -17.891) 17.894 3.925 ( -1.700 -0.122 -16.522) 16.610 4.675 ( 6.029 0.309 -5.236) 7.991 4.770 ( -3.604 0.209 -2.230) 4.243 5.296 ( 0.178 -0.315 6.007) 6.018 5.317 ( -0.931 0.281 4.540) 4.643 5.947 ( 0.620 0.070 6.610) 6.639 5.965 ( -1.101 0.077 5.535) 5.644 6.233 ( 0.656 -0.545 0.707) 1.107 6.256 ( -0.353 0.415 0.458) 0.712 6.945 ( 0.471 -0.378 -1.127) 1.279 6.955 ( 0.452 0.287 -1.141) 1.260 7.403 ( 1.168 -0.006 -1.142) 1.634 7.435 ( -2.022 0.019 -1.058) 2.282 8.067 ( 0.214 -0.180 -0.106) 0.299 8.078 ( -0.505 0.142 -0.228) 0.572 8.451 ( 1.148 -0.064 0.099) 1.154 8.464 ( -0.039 0.088 0.185) 0.208 9.113 ( 3.581 0.001 0.084) 3.582 9.125 ( 1.603 0.013 0.355) 1.642 9.213 ( -0.416 0.024 -0.578) 0.713 9.269 ( -5.242 0.028 -0.264) 5.249 9.405 ( 1.129 -0.100 0.115) 1.139 9.438 ( -2.032 -0.062 -0.681) 2.144 11.920 ( 0.652 0.043 -0.677) 0.941 11.938 ( -1.134 0.053 -0.595) 1.282 13.556 ( -0.089 -0.039 -0.342) 0.356 13.569 ( -1.411 -0.012 -0.467) 1.487 13.948 ( 2.165 0.194 -0.763) 2.304 13.977 ( -0.560 0.113 -0.680) 0.888 14.664 ( -0.711 -0.087 -1.043) 1.265 14.675 ( -1.186 0.377 -0.674) 1.416 ======================= Grid point 182 (73/124) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 0.000 -2.943 -13.753) 14.064 1.289 ( 0.000 -4.122 -10.228) 11.027 1.415 ( 0.000 1.132 -4.102) 4.256 1.511 ( 0.000 4.002 2.469) 4.702 1.767 ( 0.000 -2.101 1.962) 2.874 1.858 ( 0.000 2.013 4.972) 5.364 1.929 ( 0.000 0.487 3.374) 3.409 2.299 ( 0.000 -2.817 1.276) 3.092 2.370 ( 0.000 -0.670 0.185) 0.695 2.585 ( 0.000 -0.333 3.554) 3.570 2.586 ( 0.000 -0.031 8.113) 8.113 2.715 ( 0.000 -1.070 0.200) 1.089 2.747 ( 0.000 -1.047 -11.808) 11.854 2.982 ( 0.000 -0.299 -3.868) 3.879 3.053 ( 0.000 -0.590 -2.670) 2.734 3.222 ( 0.000 1.733 -9.572) 9.728 3.538 ( 0.000 0.437 -20.889) 20.894 3.913 ( 0.000 0.627 -15.189) 15.202 4.162 ( 0.000 0.094 1.410) 1.413 4.890 ( 0.000 -0.200 1.905) 1.916 5.338 ( 0.000 -0.171 -0.402) 0.436 5.476 ( 0.000 0.360 6.071) 6.082 6.012 ( 0.000 0.174 -0.778) 0.797 6.103 ( 0.000 0.037 8.763) 8.763 6.284 ( 0.000 -0.848 4.278) 4.362 6.314 ( 0.000 0.142 4.115) 4.118 6.862 ( 0.000 -0.200 -2.096) 2.106 6.884 ( 0.000 0.159 -2.294) 2.300 7.359 ( 0.000 -0.108 -2.110) 2.113 7.504 ( 0.000 0.035 -1.557) 1.557 8.069 ( 0.000 -0.356 0.043) 0.359 8.099 ( 0.000 0.510 -0.535) 0.739 8.353 ( 0.000 -0.007 -0.176) 0.176 8.456 ( 0.000 -0.059 0.770) 0.772 8.972 ( 0.000 0.017 0.241) 0.242 9.076 ( 0.000 0.157 1.584) 1.592 9.202 ( 0.000 0.031 -3.062) 3.062 9.464 ( 0.000 -0.212 2.550) 2.559 9.477 ( 0.000 0.055 -2.622) 2.622 9.484 ( 0.000 -0.030 -0.313) 0.315 11.894 ( 0.000 0.136 -1.194) 1.201 11.983 ( 0.000 0.014 -0.722) 0.722 13.609 ( 0.000 -0.457 0.606) 0.759 13.684 ( 0.000 0.537 -0.847) 1.003 13.790 ( 0.000 0.732 -0.648) 0.978 13.919 ( 0.000 -0.882 -1.466) 1.711 14.720 ( 0.000 0.382 -2.189) 2.222 14.792 ( 0.000 0.680 1.060) 1.259 ======================= Grid point 183 (74/124) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 8.258 -1.313 -11.302) 14.059 1.279 ( -0.311 -3.283 -9.756) 10.298 1.484 ( 6.408 0.641 -3.137) 7.164 1.554 ( 3.975 3.039 4.069) 6.449 1.791 ( 1.504 -1.466 3.505) 4.086 1.865 ( 1.435 0.975 1.517) 2.305 1.923 ( 0.370 1.196 3.158) 3.397 2.311 ( 0.949 -2.515 1.205) 2.946 2.365 ( -0.374 -0.474 -0.323) 0.685 2.574 ( -0.103 -1.406 4.216) 4.446 2.627 ( 2.567 -1.161 7.048) 7.591 2.729 ( 1.055 -0.904 -2.249) 2.643 2.769 ( 2.215 -0.472 -8.449) 8.747 2.963 ( -1.655 2.146 -3.469) 4.402 3.054 ( 0.055 -2.502 -3.215) 4.074 3.221 ( -0.111 1.856 -8.356) 8.560 3.526 ( -1.096 0.394 -21.209) 21.241 3.817 ( -7.303 0.137 -13.121) 15.017 4.270 ( 8.423 0.461 -1.315) 8.538 4.875 ( -1.520 -0.105 1.518) 2.150 5.345 ( 0.693 -0.215 0.102) 0.732 5.461 ( -1.394 0.444 5.679) 5.865 6.026 ( 1.304 0.126 0.159) 1.320 6.102 ( -0.166 0.037 8.656) 8.658 6.278 ( -0.589 -0.809 3.636) 3.771 6.305 ( -0.820 0.250 3.865) 3.959 6.873 ( 1.040 -0.184 -2.052) 2.308 6.892 ( 0.711 0.098 -2.218) 2.331 7.357 ( -0.139 -0.101 -2.123) 2.130 7.489 ( -1.424 0.047 -1.618) 2.156 8.066 ( -0.183 -0.319 0.024) 0.368 8.094 ( -0.418 0.420 -0.498) 0.774 8.373 ( 1.897 -0.007 -0.096) 1.900 8.460 ( 0.337 -0.030 0.703) 0.780 8.988 ( 1.600 0.025 0.197) 1.613 9.084 ( 0.820 0.141 1.521) 1.733 9.201 ( -0.093 0.017 -2.903) 2.904 9.443 ( -2.831 -0.000 -1.193) 3.072 9.453 ( -1.205 -0.169 2.447) 2.733 9.477 ( -0.929 -0.045 -1.712) 1.948 11.893 ( -0.044 0.135 -1.177) 1.186 11.974 ( -0.932 0.020 -0.745) 1.193 13.595 ( -1.296 -0.367 0.344) 1.390 13.652 ( -2.664 0.282 -0.908) 2.828 13.823 ( 2.763 0.844 -0.687) 2.970 13.933 ( 1.241 -0.661 -1.236) 1.872 14.702 ( -1.730 0.425 -2.202) 2.832 14.766 ( -2.355 0.499 0.652) 2.494 ======================= Grid point 184 (75/124) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.918 -1.083 -5.581) 5.759 1.313 ( 3.264 0.956 -8.263) 8.936 1.619 ( 5.621 -0.032 1.918) 5.939 1.647 ( 4.682 0.726 3.312) 5.781 1.798 ( -0.106 -0.075 2.537) 2.541 1.870 ( -1.115 -0.331 2.461) 2.722 2.053 ( 11.998 1.280 -2.500) 12.322 2.324 ( 0.333 -1.847 0.072) 1.878 2.360 ( -0.035 -0.198 -0.943) 0.964 2.568 ( -0.940 -2.595 2.875) 3.985 2.674 ( 1.737 -2.626 4.403) 5.413 2.756 ( 1.853 -0.522 -2.702) 3.318 2.811 ( 1.228 -0.657 -3.024) 3.330 2.932 ( -1.093 4.599 -1.679) 5.016 3.058 ( 0.559 -3.728 -4.448) 5.830 3.215 ( -0.574 2.126 -5.790) 6.194 3.504 ( -0.894 0.134 -21.592) 21.611 3.674 ( -6.679 -0.341 -14.303) 15.789 4.447 ( 9.037 0.618 -2.096) 9.297 4.829 ( -3.215 0.109 0.525) 3.260 5.360 ( 0.677 -0.316 1.379) 1.569 5.430 ( -1.507 0.648 4.883) 5.151 6.054 ( 1.263 -0.055 2.408) 2.720 6.098 ( -0.215 0.065 8.217) 8.220 6.264 ( -0.722 -0.610 2.389) 2.570 6.286 ( -0.920 0.412 2.967) 3.134 6.897 ( 1.198 -0.228 -1.969) 2.316 6.910 ( 1.003 0.043 -2.072) 2.302 7.357 ( 0.296 -0.071 -2.105) 2.127 7.452 ( -2.236 0.057 -1.742) 2.835 8.063 ( -0.090 -0.250 -0.030) 0.268 8.084 ( -0.566 0.233 -0.389) 0.725 8.417 ( 2.279 -0.000 0.063) 2.280 8.467 ( 0.341 0.028 0.544) 0.642 9.037 ( 3.381 0.032 0.095) 3.382 9.107 ( 1.440 0.097 1.271) 1.923 9.198 ( -0.157 0.013 -2.278) 2.283 9.366 ( -4.844 0.053 -0.770) 4.905 9.426 ( -1.370 -0.223 1.798) 2.271 9.450 ( -1.644 -0.105 -1.773) 2.420 11.894 ( 0.224 0.130 -1.118) 1.148 11.950 ( -1.364 0.040 -0.809) 1.587 13.566 ( -1.440 -0.204 -0.180) 1.465 13.597 ( -2.640 0.024 -0.988) 2.819 13.883 ( 3.018 0.814 -0.774) 3.220 13.957 ( 0.951 -0.183 -0.947) 1.355 14.662 ( -1.918 0.389 -2.109) 2.877 14.710 ( -2.969 0.339 -0.194) 2.994 ======================= Grid point 185 (76/124) ======================= q-point: ( 0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.276 -0.372 -2.011) 2.064 1.355 ( 1.038 2.906 -5.687) 6.470 1.692 ( 1.907 -1.283 3.733) 4.383 1.713 ( 1.734 -0.498 2.706) 3.252 1.803 ( 0.548 0.167 1.276) 1.399 1.844 ( -1.273 0.655 2.198) 2.623 2.277 ( 7.043 -0.216 -3.901) 8.054 2.326 ( -0.321 -1.493 -2.232) 2.705 2.383 ( 4.257 -0.236 -0.876) 4.353 2.517 ( -4.662 -1.890 -0.333) 5.042 2.685 ( -0.240 -1.294 0.560) 1.430 2.800 ( 1.701 -0.124 3.369) 3.776 2.819 ( 0.443 -0.992 0.391) 1.155 2.912 ( -1.150 1.529 -2.154) 2.880 3.076 ( 0.932 -2.193 -4.567) 5.152 3.201 ( -0.582 2.548 -3.674) 4.509 3.502 ( 0.826 -0.647 -20.803) 20.830 3.566 ( -3.859 -0.287 -17.393) 17.818 4.615 ( 7.658 0.514 -1.700) 7.862 4.745 ( -5.368 0.335 -0.696) 5.423 5.369 ( 0.208 -0.462 2.838) 2.883 5.408 ( -0.594 0.893 3.983) 4.124 6.072 ( 0.485 -0.387 4.931) 4.970 6.094 ( -0.127 0.237 7.170) 7.175 6.253 ( -0.277 -0.331 1.984) 2.030 6.272 ( -0.409 0.454 1.512) 1.631 6.914 ( 0.454 -0.380 -1.910) 2.000 6.926 ( 0.535 0.117 -1.984) 2.058 7.372 ( 1.270 -0.026 -2.008) 2.376 7.407 ( -2.135 0.038 -1.874) 2.841 8.064 ( 0.096 -0.212 -0.112) 0.259 8.074 ( -0.365 0.101 -0.260) 0.459 8.454 ( 1.254 -0.020 0.230) 1.275 8.470 ( -0.150 0.098 0.357) 0.400 9.114 ( 3.699 0.004 0.068) 3.699 9.135 ( 1.066 0.036 0.666) 1.258 9.197 ( 0.560 0.068 -1.101) 1.237 9.262 ( -5.244 0.086 -0.573) 5.275 9.408 ( -0.244 -0.243 0.336) 0.482 9.420 ( -1.213 -0.153 -1.037) 1.603 11.903 ( 0.736 0.102 -1.022) 1.264 11.924 ( -1.219 0.081 -0.904) 1.520 13.546 ( -0.366 -0.108 -0.643) 0.748 13.556 ( -1.329 -0.063 -0.932) 1.625 13.935 ( 2.037 0.556 -0.856) 2.279 13.963 ( -0.450 0.334 -0.875) 1.039 14.637 ( -0.560 0.077 -1.767) 1.856 14.662 ( -1.544 0.589 -0.976) 1.919 ======================= Grid point 189 (77/124) ======================= q-point: ( 0.00 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.000 -4.132 -14.299) 14.883 1.054 ( 0.000 -11.407 -9.913) 15.113 1.316 ( 0.000 3.736 -7.067) 7.994 1.548 ( 0.000 5.559 -0.890) 5.630 1.783 ( 0.000 -2.773 1.451) 3.130 1.856 ( 0.000 2.859 -20.643) 20.840 2.005 ( 0.000 0.841 7.761) 7.807 2.171 ( 0.000 -0.240 -11.697) 11.699 2.365 ( 0.000 -1.637 -1.900) 2.507 2.492 ( 0.000 -5.669 -4.444) 7.203 2.638 ( 0.000 -1.514 1.716) 2.288 2.687 ( 0.000 -2.657 2.175) 3.434 2.761 ( 0.000 0.674 5.965) 6.003 2.836 ( 0.000 -1.028 -9.357) 9.413 2.998 ( 0.000 -0.660 -2.684) 2.764 3.105 ( 0.000 2.687 -3.473) 4.392 3.310 ( 0.000 2.371 -3.588) 4.301 3.724 ( 0.000 0.909 -6.737) 6.799 4.190 ( 0.000 0.132 1.328) 1.334 4.924 ( 0.000 -0.325 1.824) 1.852 5.326 ( 0.000 -0.296 -0.658) 0.722 5.566 ( 0.000 0.348 3.444) 3.462 5.998 ( 0.000 0.271 -0.725) 0.774 6.232 ( 0.000 -0.346 3.920) 3.935 6.326 ( 0.000 -1.138 3.627) 3.802 6.425 ( 0.000 0.868 5.104) 5.178 6.819 ( 0.000 -0.276 -2.163) 2.180 6.840 ( 0.000 0.230 -2.341) 2.352 7.313 ( 0.000 -0.310 -2.487) 2.506 7.472 ( 0.000 0.259 -1.826) 1.845 8.066 ( 0.000 -0.401 -0.006) 0.401 8.096 ( 0.000 0.642 -0.067) 0.645 8.350 ( 0.000 -0.015 -0.123) 0.124 8.471 ( 0.000 -0.103 0.823) 0.829 8.977 ( 0.000 0.034 0.182) 0.185 9.116 ( 0.000 0.252 2.521) 2.533 9.147 ( 0.000 -0.106 -2.562) 2.564 9.413 ( 0.000 0.101 -3.795) 3.796 9.477 ( 0.000 -0.047 -0.360) 0.363 9.513 ( 0.000 -0.260 2.386) 2.400 11.872 ( 0.000 0.308 -1.146) 1.186 11.967 ( 0.000 -0.234 -0.866) 0.897 13.614 ( 0.000 -0.918 0.187) 0.936 13.671 ( 0.000 1.352 -0.973) 1.666 13.782 ( 0.000 0.890 -0.699) 1.132 13.884 ( 0.000 -1.139 -1.417) 1.817 14.671 ( 0.000 1.192 -3.576) 3.770 14.820 ( 0.000 0.951 1.371) 1.668 ======================= Grid point 190 (78/124) ======================= q-point: ( 0.14 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 12.143 -1.464 -12.085) 17.195 1.051 ( 0.623 -8.372 -10.072) 13.111 1.392 ( 7.431 2.012 -6.795) 10.269 1.611 ( 5.622 4.191 0.169) 7.014 1.808 ( 2.140 -1.482 -4.417) 5.128 1.882 ( 3.358 2.282 -11.662) 12.349 1.999 ( -0.655 1.815 9.022) 9.226 2.193 ( 1.708 -1.074 -12.147) 12.314 2.339 ( -2.400 -0.794 -3.100) 4.000 2.493 ( -0.015 -5.473 -5.857) 8.016 2.600 ( -2.235 -2.718 0.869) 3.625 2.726 ( 2.528 -1.781 2.829) 4.191 2.799 ( 1.928 -0.089 5.140) 5.491 2.831 ( 1.351 -0.443 -8.694) 8.809 2.991 ( -0.680 -1.359 -2.161) 2.642 3.120 ( 1.267 2.706 -3.452) 4.566 3.290 ( -1.815 2.100 -3.949) 4.827 3.647 ( -6.681 0.442 -5.951) 8.958 4.271 ( 7.105 0.472 0.465) 7.136 4.902 ( -2.152 -0.183 1.415) 2.582 5.343 ( 1.590 -0.371 -0.109) 1.636 5.546 ( -1.819 0.517 3.240) 3.752 6.024 ( 2.307 0.321 -0.382) 2.361 6.224 ( -0.780 -0.320 3.289) 3.395 6.319 ( -0.644 -0.827 3.804) 3.946 6.409 ( -1.495 0.692 4.830) 5.103 6.831 ( 1.134 -0.248 -2.094) 2.394 6.849 ( 0.794 0.119 -2.266) 2.404 7.311 ( -0.167 -0.329 -2.537) 2.564 7.456 ( -1.531 0.253 -1.891) 2.446 8.064 ( -0.174 -0.377 -0.001) 0.415 8.091 ( -0.463 0.541 -0.106) 0.721 8.372 ( 2.044 -0.014 -0.026) 2.044 8.474 ( 0.235 -0.053 0.757) 0.795 8.991 ( 1.517 0.052 0.128) 1.523 9.122 ( 0.625 0.227 2.402) 2.492 9.148 ( 0.168 -0.101 -2.470) 2.477 9.398 ( -1.587 0.116 -3.343) 3.703 9.456 ( -1.919 -0.094 -0.606) 2.015 9.498 ( -1.493 -0.282 2.239) 2.706 11.872 ( -0.012 0.292 -1.126) 1.163 11.958 ( -0.948 -0.210 -0.868) 1.302 13.596 ( -1.673 -0.747 -0.052) 1.833 13.633 ( -2.973 0.629 -1.178) 3.259 13.815 ( 2.704 1.034 -0.786) 3.000 13.909 ( 2.038 -0.406 -0.702) 2.193 14.653 ( -1.620 1.149 -3.456) 3.986 14.783 ( -3.389 0.336 0.698) 3.476 ======================= Grid point 191 (79/124) ======================= q-point: ( 0.29 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 2.748 -4.641 -12.076) 13.226 1.141 ( 4.964 2.522 -10.057) 11.496 1.576 ( 9.382 -1.357 -4.763) 10.609 1.731 ( 5.632 1.705 1.509) 6.075 1.854 ( 2.495 -0.355 -5.241) 5.816 1.979 ( -1.328 1.547 10.986) 11.174 2.008 ( 8.536 2.970 -4.294) 10.006 2.215 ( -0.003 -0.027 -14.064) 14.064 2.289 ( -1.629 1.093 -5.548) 5.884 2.483 ( -1.171 -4.587 -7.734) 9.068 2.573 ( -0.365 -4.015 0.909) 4.133 2.751 ( -0.857 -1.418 -4.662) 4.947 2.813 ( 1.758 -1.717 3.123) 3.974 2.920 ( 5.327 -0.050 -0.169) 5.330 2.973 ( -0.954 -2.532 -1.189) 2.956 3.146 ( 1.144 2.753 -2.790) 4.084 3.252 ( -1.576 1.655 -4.672) 5.201 3.497 ( -7.868 -0.226 -5.399) 9.545 4.433 ( 8.734 0.678 -0.287) 8.765 4.841 ( -4.072 0.102 0.612) 4.119 5.380 ( 1.911 -0.410 1.002) 2.197 5.506 ( -2.002 0.765 2.893) 3.601 6.075 ( 2.492 0.283 0.118) 2.511 6.203 ( -1.328 -0.065 1.900) 2.319 6.308 ( -0.289 -0.281 4.269) 4.288 6.373 ( -1.998 0.393 4.439) 4.884 6.857 ( 1.247 -0.260 -1.998) 2.370 6.868 ( 1.074 -0.065 -2.177) 2.428 7.312 ( 0.392 -0.281 -2.508) 2.554 7.416 ( -2.367 0.202 -1.997) 3.103 8.061 ( -0.101 -0.307 0.001) 0.323 8.080 ( -0.575 0.284 -0.137) 0.656 8.419 ( 2.441 0.003 0.129) 2.444 8.479 ( 0.182 0.043 0.597) 0.625 9.038 ( 3.267 0.071 0.005) 3.268 9.138 ( 0.881 0.164 1.935) 2.132 9.156 ( 0.604 -0.047 -2.072) 2.158 9.344 ( -4.005 0.165 -1.728) 4.365 9.416 ( -1.680 -0.219 -1.499) 2.262 9.459 ( -2.260 -0.305 1.735) 2.865 11.874 ( 0.286 0.241 -1.069) 1.133 11.933 ( -1.402 -0.132 -0.884) 1.663 13.558 ( -1.866 -0.447 -0.456) 1.972 13.574 ( -2.706 0.056 -1.298) 3.002 13.873 ( 2.921 0.917 -0.834) 3.173 13.945 ( 1.287 0.542 -0.175) 1.407 14.618 ( -1.569 0.863 -2.938) 3.441 14.707 ( -3.878 -0.109 -0.372) 3.897 ======================= Grid point 192 (80/124) ======================= q-point: ( 0.43 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 2.869 -0.517 -11.185) 11.559 1.183 ( -0.146 2.012 -11.740) 11.912 1.719 ( 4.890 -2.427 -1.000) 5.550 1.799 ( 0.580 -0.452 2.894) 2.986 1.903 ( 2.466 -0.645 1.680) 3.053 1.948 ( -1.844 -0.404 8.550) 8.756 2.131 ( 2.819 3.342 -10.606) 11.471 2.187 ( -2.154 3.982 -14.153) 14.859 2.338 ( 6.176 1.563 -3.929) 7.485 2.441 ( -3.413 -1.864 -4.271) 5.777 2.586 ( 1.446 -4.316 -3.329) 5.640 2.707 ( -2.647 -2.189 -7.068) 7.858 2.863 ( 2.761 -4.017 3.685) 6.110 2.924 ( -2.401 -3.694 -0.229) 4.412 3.038 ( 4.271 1.768 1.847) 4.978 3.151 ( -0.818 2.644 -2.949) 4.045 3.249 ( 1.507 0.252 -5.225) 5.444 3.356 ( -5.720 -0.401 -5.656) 8.054 4.601 ( 7.934 0.551 -0.431) 7.965 4.740 ( -6.077 0.352 -0.090) 6.087 5.412 ( 1.076 -0.247 2.034) 2.315 5.473 ( -1.102 0.763 2.435) 2.779 6.115 ( 1.381 -0.026 0.404) 1.440 6.177 ( -1.027 0.528 1.003) 1.530 6.312 ( 0.710 0.021 4.447) 4.503 6.336 ( -1.631 0.192 4.310) 4.612 6.874 ( 0.463 -0.361 -1.940) 2.026 6.886 ( 0.553 -0.127 -2.178) 2.250 7.330 ( 1.456 -0.127 -2.326) 2.747 7.369 ( -2.303 0.068 -2.129) 3.137 8.061 ( 0.077 -0.200 -0.003) 0.215 8.071 ( -0.351 0.021 -0.131) 0.375 8.459 ( 1.425 0.037 0.287) 1.454 8.478 ( -0.329 0.103 0.400) 0.528 9.115 ( 3.833 0.024 -0.034) 3.833 9.150 ( -0.006 0.064 0.846) 0.848 9.175 ( 1.677 0.099 -1.246) 2.092 9.249 ( -5.120 0.180 -0.864) 5.196 9.398 ( -0.018 -0.297 -0.901) 0.949 9.417 ( -1.728 -0.303 0.629) 1.864 11.885 ( 0.794 0.128 -1.000) 1.283 11.906 ( -1.269 0.001 -0.933) 1.575 13.531 ( -0.722 -0.240 -0.849) 1.140 13.535 ( -1.142 -0.137 -1.156) 1.631 13.924 ( 2.018 0.854 -0.708) 2.302 13.953 ( -0.463 0.919 -0.411) 1.109 14.601 ( -0.149 0.259 -2.050) 2.072 14.644 ( -2.057 0.391 -1.270) 2.449 ======================= Grid point 196 (81/124) ======================= q-point: ( 0.00 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 0.000 -6.933 -11.757) 13.649 0.787 ( 0.000 -17.947 -10.620) 20.854 1.203 ( 0.000 -10.993 -36.058) 37.697 1.222 ( 0.000 6.293 -5.177) 8.149 1.562 ( 0.000 6.334 -0.860) 6.392 1.788 ( 0.000 -3.430 0.843) 3.533 1.947 ( 0.000 10.959 -16.343) 19.677 2.113 ( 0.000 -0.133 3.159) 3.162 2.349 ( 0.000 -3.444 1.882) 3.925 2.431 ( 0.000 -3.289 -0.064) 3.289 2.615 ( 0.000 -3.880 -1.410) 4.128 2.720 ( 0.000 -3.329 3.686) 4.967 2.802 ( 0.000 2.224 3.013) 3.745 2.864 ( 0.000 1.276 3.356) 3.590 2.944 ( 0.000 -0.818 -2.398) 2.534 3.099 ( 0.000 -0.095 1.818) 1.821 3.322 ( 0.000 1.170 1.799) 2.146 3.639 ( 0.000 1.908 -3.268) 3.784 4.211 ( 0.000 0.144 0.776) 0.789 4.952 ( 0.000 -0.255 1.307) 1.332 5.312 ( 0.000 -0.390 -0.552) 0.676 5.615 ( 0.000 0.185 1.671) 1.682 5.989 ( 0.000 0.326 -0.428) 0.538 6.264 ( 0.000 -0.863 1.296) 1.557 6.401 ( 0.000 -0.130 3.433) 3.436 6.496 ( 0.000 1.056 1.660) 1.968 6.783 ( 0.000 -0.269 -1.358) 1.384 6.805 ( 0.000 0.232 -1.469) 1.487 7.265 ( 0.000 -0.682 -2.272) 2.373 7.443 ( 0.000 0.595 -1.409) 1.529 8.065 ( 0.000 -0.249 0.070) 0.259 8.101 ( 0.000 0.482 0.176) 0.513 8.348 ( 0.000 -0.022 -0.054) 0.058 8.484 ( 0.000 -0.133 0.534) 0.551 8.979 ( 0.000 0.049 0.086) 0.099 9.106 ( 0.000 -0.298 -1.501) 1.530 9.175 ( 0.000 0.337 3.393) 3.410 9.338 ( 0.000 0.204 -4.121) 4.126 9.470 ( 0.000 -0.056 -0.246) 0.253 9.548 ( 0.000 -0.364 1.395) 1.442 11.857 ( 0.000 0.497 -0.701) 0.859 11.950 ( 0.000 -0.556 -0.623) 0.835 13.599 ( 0.000 -0.236 -1.407) 1.427 13.669 ( 0.000 0.994 -0.032) 0.994 13.773 ( 0.000 0.585 -0.667) 0.887 13.858 ( 0.000 -0.899 -0.640) 1.104 14.597 ( 0.000 1.968 -5.254) 5.610 14.847 ( 0.000 0.817 0.777) 1.127 ======================= Grid point 197 (82/124) ======================= q-point: ( 0.14 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 10.660 -6.350 -10.616) 16.330 0.826 ( 6.174 -10.084 -10.097) 15.548 1.159 ( 2.000 -3.395 -26.085) 26.381 1.394 ( 11.608 2.090 -11.286) 16.324 1.656 ( 7.205 5.287 0.012) 8.937 1.841 ( 4.806 -1.420 0.143) 5.014 1.938 ( -0.710 8.746 -15.179) 17.533 2.145 ( 2.607 -0.404 4.397) 5.128 2.327 ( -2.175 -2.570 2.667) 4.295 2.410 ( -1.815 -3.428 -1.080) 4.027 2.598 ( -0.850 -4.183 -0.351) 4.283 2.725 ( -1.525 -0.158 0.348) 1.573 2.798 ( 1.306 -0.243 3.460) 3.706 2.889 ( 1.995 0.303 2.531) 3.237 2.957 ( 0.986 -1.795 -0.209) 2.059 3.107 ( 0.840 0.501 0.996) 1.396 3.281 ( -3.258 0.046 -0.206) 3.265 3.570 ( -6.083 1.512 -2.906) 6.909 4.283 ( 6.459 0.417 0.395) 6.485 4.924 ( -2.719 -0.139 0.887) 2.864 5.339 ( 2.398 -0.557 -0.040) 2.462 5.594 ( -1.906 0.323 1.652) 2.542 6.020 ( 2.663 0.873 -0.291) 2.817 6.244 ( -1.801 -0.666 0.389) 1.960 6.396 ( -0.425 -0.060 3.408) 3.435 6.476 ( -1.729 0.593 1.774) 2.548 6.797 ( 1.256 -0.184 -1.244) 1.777 6.814 ( 0.827 0.094 -1.403) 1.631 7.261 ( -0.202 -0.811 -2.296) 2.443 7.426 ( -1.589 0.532 -1.381) 2.172 8.063 ( -0.175 -0.256 0.044) 0.313 8.094 ( -0.597 0.417 0.091) 0.734 8.372 ( 2.176 -0.004 0.040) 2.176 8.486 ( 0.164 -0.068 0.491) 0.522 8.993 ( 1.437 0.084 0.040) 1.440 9.108 ( 0.348 -0.254 -1.487) 1.548 9.179 ( 0.308 0.306 3.260) 3.289 9.329 ( -0.865 0.189 -3.884) 3.984 9.447 ( -2.228 -0.094 -0.281) 2.247 9.530 ( -1.704 -0.387 1.339) 2.202 11.856 ( 0.012 0.456 -0.677) 0.816 11.941 ( -0.924 -0.523 -0.625) 1.233 13.579 ( -1.776 -0.247 -1.336) 2.236 13.619 ( -3.522 -0.363 -0.504) 3.577 13.804 ( 2.579 0.563 -0.766) 2.749 13.913 ( 3.693 1.531 0.969) 4.113 14.584 ( -1.125 1.564 -4.651) 5.034 14.789 ( -4.827 -0.980 -0.039) 4.926 ======================= Grid point 198 (83/124) ======================= q-point: ( 0.29 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 4.725 -6.622 -9.427) 12.452 0.962 ( 4.482 1.012 -12.194) 13.031 1.284 ( 8.563 0.237 -22.506) 24.081 1.639 ( 9.255 2.337 -7.004) 11.840 1.774 ( 5.099 1.877 -5.719) 7.888 1.909 ( 0.553 3.386 -9.630) 10.223 1.980 ( 7.039 2.214 0.086) 7.379 2.185 ( 0.828 -1.106 7.630) 7.754 2.284 ( -1.241 -0.073 3.227) 3.458 2.375 ( -1.316 -4.636 -2.212) 5.303 2.593 ( -0.047 -2.912 -1.330) 3.201 2.666 ( -3.648 0.236 0.207) 3.661 2.833 ( 1.330 -1.608 1.019) 2.322 2.935 ( 2.288 -1.768 1.347) 3.190 2.980 ( 1.878 -2.332 2.301) 3.776 3.130 ( 1.198 1.314 -0.331) 1.809 3.225 ( -1.936 0.105 -1.502) 2.453 3.432 ( -7.361 0.726 -1.970) 7.654 4.435 ( 8.375 0.565 -0.040) 8.394 4.851 ( -4.599 0.142 0.357) 4.615 5.393 ( 2.843 -0.721 0.688) 3.013 5.550 ( -2.342 0.398 1.418) 2.767 6.075 ( 2.607 1.299 -0.243) 2.923 6.204 ( -1.998 0.171 -0.700) 2.124 6.389 ( -0.233 -0.004 3.375) 3.383 6.439 ( -1.878 0.193 2.245) 2.933 6.824 ( 1.289 -0.212 -1.195) 1.770 6.833 ( 1.003 -0.161 -1.381) 1.714 7.264 ( 0.659 -0.660 -2.051) 2.253 7.385 ( -2.487 0.365 -1.372) 2.864 8.060 ( -0.079 -0.243 0.033) 0.257 8.081 ( -0.691 0.217 0.011) 0.725 8.422 ( 2.554 0.004 0.111) 2.556 8.489 ( 0.060 0.054 0.390) 0.398 9.038 ( 3.166 0.136 -0.049) 3.169 9.122 ( 1.128 -0.116 -1.257) 1.692 9.182 ( -0.165 0.228 2.450) 2.466 9.303 ( -2.082 0.234 -2.572) 3.317 9.395 ( -2.392 -0.256 -0.625) 2.485 9.485 ( -2.792 -0.382 1.101) 3.026 11.859 ( 0.295 0.331 -0.642) 0.780 11.917 ( -1.370 -0.389 -0.620) 1.553 13.540 ( -1.948 -0.254 -1.168) 2.286 13.555 ( -2.736 -0.550 -0.534) 2.841 13.862 ( 3.057 0.565 -0.667) 3.180 13.962 ( 1.106 2.441 1.072) 2.886 14.565 ( -0.564 0.868 -3.090) 3.259 14.692 ( -4.508 -1.406 -0.658) 4.768 ======================= Grid point 199 (84/124) ======================= q-point: ( 0.43 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 5.323 0.265 -8.731) 10.229 0.993 ( -1.351 3.692 -9.324) 10.119 1.454 ( 8.180 -1.144 -21.466) 23.000 1.636 ( -5.830 0.010 -19.980) 20.813 1.880 ( 3.333 1.683 1.313) 3.958 1.925 ( 0.474 2.337 -0.735) 2.495 2.138 ( 5.754 2.473 1.655) 6.478 2.182 ( -0.663 0.084 7.787) 7.816 2.304 ( 3.654 1.197 -1.287) 4.055 2.363 ( -0.217 -5.106 -1.514) 5.330 2.547 ( -4.559 0.110 -1.672) 4.857 2.620 ( -0.503 -5.180 -0.455) 5.224 2.850 ( 0.492 -1.440 0.632) 1.647 2.954 ( 0.068 -4.320 3.964) 5.864 3.048 ( 3.843 0.363 -2.229) 4.458 3.133 ( -1.267 1.070 -0.896) 1.885 3.221 ( 1.764 0.521 -0.279) 1.861 3.298 ( -5.632 -0.055 -0.785) 5.687 4.599 ( 7.941 0.467 -0.158) 7.956 4.742 ( -6.414 0.333 -0.009) 6.422 5.444 ( 2.029 -0.395 1.478) 2.542 5.506 ( -1.838 0.029 0.829) 2.017 6.117 ( 1.401 1.310 -0.111) 1.921 6.171 ( -1.187 1.084 -1.317) 2.078 6.390 ( 0.414 -0.020 3.174) 3.201 6.407 ( -1.282 0.023 2.764) 3.047 6.842 ( 0.468 -0.321 -1.135) 1.269 6.849 ( 0.500 -0.297 -1.480) 1.591 7.289 ( 1.798 -0.307 -1.714) 2.503 7.333 ( -2.551 0.061 -1.485) 2.953 8.061 ( 0.155 -0.170 0.060) 0.238 8.069 ( -0.461 -0.029 -0.038) 0.463 8.464 ( 1.598 0.071 0.197) 1.612 8.485 ( -0.507 0.113 0.261) 0.582 9.114 ( 3.970 0.111 -0.058) 3.972 9.155 ( 2.432 0.060 -0.825) 2.569 9.166 ( -1.489 0.093 0.785) 1.686 9.233 ( -4.641 0.249 -0.863) 4.727 9.383 ( 1.219 -0.351 -0.469) 1.352 9.427 ( -2.829 -0.355 0.531) 2.900 11.869 ( 0.783 0.109 -0.620) 1.004 11.890 ( -1.248 -0.155 -0.628) 1.406 13.512 ( -0.750 -0.274 -0.916) 1.215 13.516 ( -1.129 -0.357 -0.675) 1.363 13.919 ( 2.520 1.041 -0.348) 2.748 13.959 ( -1.216 1.825 0.188) 2.201 14.568 ( 0.830 0.257 -1.443) 1.684 14.619 ( -2.666 -0.358 -1.303) 2.989 ======================= Grid point 203 (85/124) ======================= q-point: ( 0.00 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 0.000 -11.273 -0.000) 11.273 0.427 ( 0.000 -18.077 -0.000) 18.077 0.728 ( 0.000 -29.728 -0.000) 29.728 1.210 ( 0.000 7.179 0.000) 7.179 1.591 ( 0.000 6.624 0.000) 6.624 1.776 ( 0.000 -3.559 -0.000) 3.559 1.829 ( 0.000 12.638 0.000) 12.638 2.134 ( 0.000 -1.258 -0.000) 1.258 2.343 ( 0.000 -5.814 -0.000) 5.814 2.432 ( 0.000 0.153 0.000) 0.153 2.576 ( 0.000 -4.544 -0.000) 4.544 2.755 ( 0.000 -2.993 -0.000) 2.993 2.867 ( 0.000 5.445 0.000) 5.445 2.879 ( 0.000 0.481 0.000) 0.481 2.929 ( 0.000 0.034 0.000) 0.034 3.132 ( 0.000 -1.393 -0.000) 1.393 3.367 ( 0.000 2.630 0.000) 2.630 3.622 ( 0.000 2.258 0.000) 2.258 4.219 ( 0.000 0.135 0.000) 0.135 4.967 ( 0.000 0.085 0.000) 0.085 5.304 ( 0.000 -0.399 -0.000) 0.399 5.632 ( 0.000 0.141 0.000) 0.141 5.987 ( 0.000 0.321 0.000) 0.321 6.289 ( 0.000 0.805 0.000) 0.805 6.434 ( 0.000 0.229 0.000) 0.229 6.503 ( 0.000 -0.038 -0.000) 0.038 6.768 ( 0.000 -0.223 -0.000) 0.223 6.791 ( 0.000 0.193 0.000) 0.193 7.229 ( 0.000 -1.638 -0.000) 1.638 7.431 ( 0.000 0.659 0.000) 0.659 8.065 ( 0.000 -0.177 -0.000) 0.177 8.106 ( 0.000 0.417 0.000) 0.417 8.347 ( 0.000 -0.024 -0.000) 0.024 8.488 ( 0.000 -0.136 -0.000) 0.136 8.981 ( 0.000 0.052 0.000) 0.052 9.089 ( 0.000 -0.362 -0.000) 0.362 9.230 ( 0.000 0.346 0.000) 0.346 9.279 ( 0.000 0.236 0.000) 0.236 9.468 ( 0.000 -0.055 -0.000) 0.055 9.559 ( 0.000 -0.447 -0.000) 0.447 11.853 ( 0.000 0.591 0.000) 0.591 11.941 ( 0.000 -0.655 -0.000) 0.655 13.573 ( 0.000 -0.390 -0.000) 0.390 13.673 ( 0.000 0.170 0.000) 0.170 13.768 ( 0.000 0.319 0.000) 0.319 13.849 ( 0.000 -0.636 -0.000) 0.636 14.522 ( 0.000 -0.513 -0.000) 0.513 14.856 ( 0.000 0.342 0.000) 0.342 ======================= Grid point 204 (86/124) ======================= q-point: ( 0.14 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 8.508 -11.673 -0.000) 14.444 0.534 ( 10.252 -11.925 -0.000) 15.726 0.847 ( 13.804 -13.323 -0.000) 19.185 1.358 ( 10.976 7.669 0.000) 13.390 1.670 ( 1.331 5.897 0.000) 6.045 1.831 ( 1.674 9.218 0.000) 9.368 1.874 ( 8.529 4.798 0.000) 9.786 2.177 ( 3.766 -1.373 -0.000) 4.009 2.324 ( -1.755 -5.210 -0.000) 5.498 2.405 ( -2.276 0.190 0.000) 2.284 2.566 ( -0.824 -3.875 -0.000) 3.962 2.741 ( -1.777 -1.758 -0.000) 2.500 2.840 ( -0.627 2.326 0.000) 2.409 2.905 ( 1.347 0.510 0.000) 1.440 2.959 ( 2.287 -1.198 -0.000) 2.582 3.134 ( 0.210 -1.330 -0.000) 1.346 3.257 ( -6.533 -3.598 -0.000) 7.458 3.554 ( -5.851 2.037 0.000) 6.196 4.288 ( 6.253 0.306 0.000) 6.261 4.932 ( -3.015 -0.123 -0.000) 3.017 5.336 ( 2.654 -0.657 -0.000) 2.734 5.611 ( -1.963 0.152 0.000) 1.969 6.026 ( 3.010 1.772 0.000) 3.493 6.247 ( -2.917 -0.672 -0.000) 2.993 6.429 ( -0.380 0.195 0.000) 0.427 6.489 ( -1.260 -0.011 -0.000) 1.260 6.785 ( 1.311 0.006 0.000) 1.311 6.801 ( 0.802 0.065 0.000) 0.805 7.227 ( 0.092 -1.401 -0.000) 1.404 7.416 ( -1.558 0.590 0.000) 1.666 8.062 ( -0.201 -0.185 -0.000) 0.273 8.097 ( -0.704 0.302 0.000) 0.767 8.373 ( 2.212 0.047 0.000) 2.213 8.490 ( 0.159 -0.069 -0.000) 0.173 8.994 ( 1.418 0.109 0.000) 1.422 9.092 ( 0.447 -0.275 -0.000) 0.525 9.234 ( 0.158 0.354 0.000) 0.388 9.271 ( -0.636 0.151 0.000) 0.654 9.444 ( -2.294 -0.091 -0.000) 2.296 9.541 ( -1.752 -0.430 -0.000) 1.804 11.853 ( 0.006 0.535 0.000) 0.535 11.931 ( -0.913 -0.674 -0.000) 1.135 13.558 ( -1.432 -0.376 -0.000) 1.480 13.608 ( -3.618 -1.464 -0.000) 3.903 13.798 ( 2.564 0.244 0.000) 2.576 13.952 ( 5.020 5.181 0.000) 7.214 14.523 ( 0.103 -0.315 -0.000) 0.331 14.773 ( -5.784 -3.207 -0.000) 6.614 ======================= Grid point 205 (87/124) ======================= q-point: ( 0.29 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( 8.475 -5.514 -0.000) 10.110 0.727 ( 12.007 -4.557 -0.000) 12.843 1.099 ( 8.305 2.573 0.000) 8.694 1.562 ( -1.821 5.469 0.000) 5.764 1.686 ( 11.681 1.155 0.000) 11.738 1.892 ( 4.026 1.303 0.000) 4.232 2.015 ( 5.389 6.043 0.000) 8.097 2.249 ( 2.491 -3.021 -0.000) 3.916 2.285 ( -1.815 -4.619 -0.000) 4.963 2.363 ( -1.492 1.455 0.000) 2.085 2.550 ( -0.706 -1.444 -0.000) 1.607 2.682 ( -4.159 -1.014 -0.000) 4.281 2.855 ( 1.991 0.324 0.000) 2.017 2.928 ( 0.878 -1.232 -0.000) 1.513 3.002 ( 1.934 -3.354 -0.000) 3.872 3.131 ( -1.112 -1.568 -0.000) 1.923 3.190 ( -0.113 -0.718 -0.000) 0.727 3.423 ( -6.877 1.341 0.000) 7.006 4.437 ( 8.244 0.423 0.000) 8.255 4.855 ( -4.747 0.161 0.000) 4.750 5.395 ( 3.175 -0.969 -0.000) 3.319 5.564 ( -2.633 0.085 0.000) 2.634 6.084 ( 2.653 2.052 0.000) 3.354 6.197 ( -2.116 0.214 0.000) 2.127 6.421 ( -0.280 0.125 0.000) 0.307 6.460 ( -1.533 0.029 0.000) 1.533 6.812 ( 1.266 -0.144 -0.000) 1.275 6.818 ( 0.889 -0.193 -0.000) 0.909 7.238 ( 1.049 -0.832 -0.000) 1.339 7.373 ( -2.590 0.370 0.000) 2.616 8.059 ( -0.071 -0.177 -0.000) 0.191 8.082 ( -0.781 0.155 0.000) 0.797 8.423 ( 2.586 0.006 0.000) 2.586 8.493 ( 0.035 0.053 0.000) 0.063 9.039 ( 3.145 0.193 0.000) 3.151 9.109 ( 1.329 -0.112 -0.000) 1.334 9.219 ( -1.753 0.246 0.000) 1.770 9.267 ( -0.116 0.208 0.000) 0.238 9.388 ( -2.745 -0.248 -0.000) 2.756 9.493 ( -2.960 -0.385 -0.000) 2.985 11.855 ( 0.243 0.365 0.000) 0.438 11.908 ( -1.304 -0.513 -0.000) 1.401 13.524 ( -1.693 -0.340 -0.000) 1.727 13.546 ( -2.650 -0.785 -0.000) 2.764 13.858 ( 3.281 0.422 0.000) 3.308 13.998 ( 0.107 4.087 0.000) 4.089 14.530 ( 0.712 0.041 0.000) 0.713 14.673 ( -4.300 -2.412 -0.000) 4.930 ======================= Grid point 206 (88/124) ======================= q-point: ( 0.43 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 7.591 1.790 0.000) 7.799 0.905 ( 3.210 3.602 0.000) 4.824 1.222 ( 7.020 0.600 0.000) 7.046 1.406 ( -10.121 1.826 0.000) 10.284 1.904 ( 5.753 2.375 0.000) 6.224 1.953 ( 0.572 2.992 0.000) 3.047 2.164 ( 10.568 0.399 0.000) 10.576 2.259 ( -0.392 -4.168 -0.000) 4.187 2.266 ( -0.374 -4.635 -0.000) 4.651 2.331 ( -3.603 0.463 0.000) 3.633 2.542 ( 0.210 0.323 0.000) 0.386 2.586 ( -4.556 -1.642 -0.000) 4.843 2.907 ( 2.593 0.408 0.000) 2.625 2.935 ( -0.306 -1.132 -0.000) 1.172 3.041 ( 2.279 -3.776 -0.000) 4.410 3.093 ( -2.572 -1.549 -0.000) 3.002 3.223 ( 2.838 0.646 0.000) 2.911 3.301 ( -5.154 0.697 0.000) 5.201 4.599 ( 7.941 0.379 0.000) 7.950 4.744 ( -6.524 0.310 0.000) 6.531 5.456 ( 2.908 -0.723 -0.000) 2.996 5.511 ( -2.696 -0.250 -0.000) 2.707 6.128 ( 1.855 1.873 0.000) 2.636 6.161 ( -1.601 1.323 0.000) 2.077 6.421 ( 0.256 0.017 0.000) 0.257 6.433 ( -1.043 -0.007 -0.000) 1.043 6.830 ( 0.532 -0.296 -0.000) 0.609 6.832 ( 0.369 -0.324 -0.000) 0.491 7.269 ( 2.114 -0.375 -0.000) 2.147 7.319 ( -2.774 0.025 0.000) 2.774 8.061 ( 0.227 -0.147 -0.000) 0.271 8.069 ( -0.565 -0.033 -0.000) 0.566 8.466 ( 1.686 0.072 0.000) 1.688 8.488 ( -0.583 0.113 0.000) 0.594 9.114 ( 4.046 0.206 0.000) 4.051 9.147 ( 2.691 -0.005 -0.000) 2.691 9.176 ( -2.447 0.103 0.000) 2.449 9.224 ( -4.164 0.250 0.000) 4.172 9.377 ( 1.745 -0.352 -0.000) 1.781 9.430 ( -3.209 -0.345 -0.000) 3.228 11.864 ( 0.712 0.091 0.000) 0.718 11.883 ( -1.174 -0.231 -0.000) 1.196 13.500 ( -0.558 -0.318 -0.000) 0.642 13.507 ( -1.225 -0.410 -0.000) 1.291 13.922 ( 3.065 1.092 0.000) 3.253 13.975 ( -2.138 2.284 0.000) 3.128 14.554 ( 1.766 0.024 0.000) 1.766 14.601 ( -2.999 -0.790 -0.000) 3.101 ======================= Grid point 238 (89/124) ======================= q-point: ( 0.00 -0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.000 -0.000 -8.353) 8.353 1.378 ( 0.000 0.000 5.426) 5.426 1.473 ( 0.000 -0.000 -1.330) 1.330 1.486 ( 0.000 -0.000 -8.392) 8.392 1.738 ( 0.000 0.000 1.738) 1.738 1.823 ( 0.000 -0.000 -2.376) 2.376 1.839 ( 0.000 0.000 5.361) 5.361 2.313 ( 0.000 0.000 1.491) 1.491 2.331 ( 0.000 0.000 5.535) 5.535 2.443 ( 0.000 0.000 6.555) 6.555 2.499 ( 0.000 0.000 2.331) 2.331 2.717 ( 0.000 0.000 0.425) 0.425 2.840 ( 0.000 -0.000 -2.589) 2.589 3.045 ( 0.000 -0.000 -1.801) 1.801 3.101 ( 0.000 -0.000 -1.652) 1.652 3.368 ( 0.000 -0.000 -5.451) 5.451 3.934 ( 0.000 -0.000 -17.738) 17.738 4.139 ( 0.000 0.000 0.884) 0.884 4.282 ( 0.000 -0.000 -21.524) 21.524 4.857 ( 0.000 0.000 1.615) 1.615 5.326 ( 0.000 0.000 9.426) 9.426 5.343 ( 0.000 -0.000 -0.083) 0.083 5.939 ( 0.000 0.000 7.590) 7.590 6.024 ( 0.000 -0.000 -0.568) 0.568 6.167 ( 0.000 0.000 5.513) 5.513 6.286 ( 0.000 0.000 1.266) 1.266 6.895 ( 0.000 -0.000 -1.191) 1.191 6.919 ( 0.000 -0.000 -1.438) 1.438 7.391 ( 0.000 -0.000 -1.209) 1.209 7.527 ( 0.000 -0.000 -0.841) 0.841 8.069 ( 0.000 0.000 0.118) 0.118 8.107 ( 0.000 -0.000 -0.647) 0.647 8.356 ( 0.000 -0.000 -0.138) 0.138 8.445 ( 0.000 0.000 0.465) 0.465 8.968 ( 0.000 0.000 0.178) 0.178 9.054 ( 0.000 0.000 0.674) 0.674 9.257 ( 0.000 -0.000 -2.745) 2.745 9.414 ( 0.000 0.000 2.570) 2.570 9.488 ( 0.000 -0.000 -0.161) 0.161 9.518 ( 0.000 -0.000 -1.527) 1.527 11.912 ( 0.000 -0.000 -0.807) 0.807 11.994 ( 0.000 -0.000 -0.448) 0.448 13.601 ( 0.000 0.000 0.465) 0.465 13.693 ( 0.000 -0.000 -0.362) 0.362 13.797 ( 0.000 -0.000 -0.736) 0.736 13.945 ( 0.000 -0.000 -0.524) 0.524 14.748 ( 0.000 -0.000 -1.016) 1.016 14.775 ( 0.000 0.000 0.188) 0.188 ======================= Grid point 240 (90/124) ======================= q-point: ( 0.14 -0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.653 -0.000 -4.792) 4.836 1.361 ( -2.538 0.000 4.711) 5.351 1.494 ( 2.382 -0.000 -5.002) 5.540 1.526 ( 7.164 -0.000 -1.968) 7.430 1.778 ( 3.165 -0.000 -1.359) 3.444 1.850 ( 1.345 0.000 2.763) 3.073 1.885 ( 6.449 -0.000 -2.586) 6.949 2.308 ( -0.190 0.000 1.843) 1.852 2.345 ( 1.275 0.000 5.208) 5.362 2.467 ( 1.954 0.000 7.518) 7.767 2.485 ( -1.155 0.000 3.545) 3.728 2.749 ( 2.733 0.000 0.838) 2.859 2.849 ( 0.919 -0.000 -2.729) 2.879 2.994 ( -3.876 -0.000 -2.114) 4.415 3.129 ( 1.639 -0.000 -1.733) 2.385 3.346 ( -2.147 -0.000 -4.800) 5.258 3.926 ( -0.708 -0.000 -17.903) 17.917 4.065 ( -4.919 -0.000 -8.112) 9.487 4.381 ( 7.402 -0.000 -13.043) 14.996 4.848 ( -0.864 0.000 1.259) 1.526 5.317 ( -0.781 0.000 9.105) 9.139 5.343 ( -0.134 0.000 0.351) 0.376 5.939 ( -0.038 0.000 7.527) 7.527 6.013 ( -1.001 0.000 1.166) 1.537 6.182 ( 1.351 0.000 4.001) 4.223 6.280 ( -0.576 0.000 1.072) 1.217 6.905 ( 0.974 -0.000 -1.167) 1.520 6.926 ( 0.625 -0.000 -1.380) 1.515 7.389 ( -0.146 -0.000 -1.209) 1.218 7.513 ( -1.346 -0.000 -0.880) 1.608 8.068 ( -0.150 0.000 0.086) 0.173 8.102 ( -0.477 -0.000 -0.573) 0.746 8.375 ( 1.791 -0.000 -0.095) 1.793 8.449 ( 0.425 0.000 0.414) 0.593 8.984 ( 1.661 0.000 0.150) 1.668 9.063 ( 0.915 0.000 0.654) 1.125 9.252 ( -0.497 -0.000 -2.491) 2.540 9.407 ( -0.632 0.000 2.296) 2.382 9.456 ( -3.035 -0.000 -0.302) 3.050 9.509 ( -1.001 -0.000 -1.310) 1.649 11.911 ( -0.076 -0.000 -0.797) 0.800 11.985 ( -0.885 -0.000 -0.470) 1.003 13.591 ( -0.977 0.000 0.301) 1.023 13.662 ( -2.497 -0.000 -0.382) 2.526 13.831 ( 2.802 -0.000 -0.783) 2.910 13.956 ( 0.961 -0.000 -0.516) 1.091 14.730 ( -1.689 -0.000 -1.081) 2.006 14.756 ( -1.809 0.000 0.043) 1.809 ======================= Grid point 242 (91/124) ======================= q-point: ( 0.29 -0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -3.020 0.000 4.310) 5.263 1.319 ( -2.876 0.000 1.103) 3.080 1.576 ( 5.004 -0.000 -1.451) 5.210 1.669 ( 4.895 -0.000 -1.511) 5.123 1.838 ( 2.676 -0.000 -5.064) 5.728 1.879 ( 1.355 -0.000 -3.263) 3.533 2.098 ( 13.950 -0.000 -2.549) 14.181 2.316 ( 1.240 0.000 2.029) 2.378 2.370 ( 0.764 0.000 2.400) 2.519 2.464 ( -0.835 0.000 7.390) 7.437 2.505 ( 1.896 0.000 9.358) 9.548 2.793 ( 0.342 0.000 2.482) 2.506 2.873 ( 1.344 -0.000 -2.400) 2.750 2.915 ( -3.342 -0.000 -3.215) 4.637 3.156 ( 1.182 -0.000 -1.965) 2.293 3.290 ( -3.198 -0.000 -3.541) 4.771 3.911 ( -0.698 -0.000 -18.145) 18.159 3.979 ( -3.607 -0.000 -13.460) 13.935 4.534 ( 7.722 -0.000 -8.492) 11.479 4.822 ( -1.908 0.000 0.041) 1.908 5.301 ( -0.651 0.000 8.178) 8.204 5.335 ( -0.743 0.000 1.720) 1.873 5.939 ( 0.161 0.000 7.264) 7.265 5.989 ( -1.312 0.000 3.758) 3.980 6.212 ( 1.484 0.000 1.905) 2.415 6.266 ( -0.728 0.000 0.657) 0.981 6.929 ( 1.255 -0.000 -1.118) 1.681 6.941 ( 0.785 -0.000 -1.254) 1.479 7.389 ( 0.239 -0.000 -1.194) 1.217 7.478 ( -2.131 -0.000 -0.967) 2.340 8.066 ( -0.013 0.000 0.012) 0.018 8.090 ( -0.680 -0.000 -0.404) 0.791 8.417 ( 2.154 -0.000 -0.005) 2.154 8.459 ( 0.462 0.000 0.300) 0.551 9.035 ( 3.462 0.000 0.090) 3.463 9.089 ( 1.704 0.000 0.571) 1.797 9.236 ( -1.175 -0.000 -1.631) 2.010 9.375 ( -5.000 -0.000 -0.300) 5.009 9.397 ( -0.202 0.000 1.368) 1.383 9.479 ( -1.954 -0.000 -1.072) 2.229 11.912 ( 0.154 -0.000 -0.758) 0.774 11.962 ( -1.288 -0.000 -0.528) 1.392 13.569 ( -1.052 -0.000 -0.042) 1.052 13.610 ( -2.544 -0.000 -0.438) 2.582 13.892 ( 3.153 -0.000 -0.852) 3.266 13.975 ( 0.710 -0.000 -0.567) 0.908 14.691 ( -1.939 -0.000 -1.159) 2.259 14.712 ( -2.370 -0.000 -0.320) 2.391 ======================= Grid point 244 (92/124) ======================= q-point: ( 0.43 -0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -0.722 0.000 4.548) 4.605 1.270 ( -1.717 0.000 3.706) 4.084 1.667 ( 3.763 0.000 0.161) 3.767 1.711 ( -0.353 0.000 0.564) 0.665 1.879 ( 1.442 -0.000 -7.137) 7.281 1.894 ( 0.008 -0.000 -7.155) 7.155 2.313 ( 4.488 -0.000 -0.074) 4.488 2.362 ( -1.487 -0.000 -0.403) 1.540 2.388 ( 6.495 0.000 1.845) 6.752 2.452 ( -0.804 0.000 9.188) 9.223 2.563 ( 5.327 0.000 7.894) 9.523 2.713 ( -7.555 0.000 2.033) 7.824 2.894 ( 0.571 -0.000 -1.268) 1.391 2.894 ( 0.316 -0.000 -1.328) 1.365 3.183 ( 1.757 -0.000 -2.348) 2.933 3.229 ( -2.830 -0.000 -2.735) 3.936 3.905 ( 0.262 -0.000 -17.856) 17.858 3.925 ( -1.835 -0.000 -16.433) 16.536 4.673 ( 6.049 -0.000 -5.290) 8.036 4.768 ( -3.638 -0.000 -2.261) 4.284 5.298 ( 0.387 0.000 6.466) 6.478 5.315 ( -1.131 0.000 3.996) 4.153 5.947 ( 0.620 0.000 6.642) 6.671 5.964 ( -1.103 0.000 5.539) 5.648 6.237 ( 0.973 0.000 0.741) 1.223 6.252 ( -0.682 0.000 0.417) 0.800 6.949 ( 0.650 -0.000 -1.097) 1.275 6.952 ( 0.277 -0.000 -1.144) 1.177 7.403 ( 1.174 -0.000 -1.142) 1.638 7.435 ( -2.030 -0.000 -1.060) 2.290 8.068 ( 0.297 -0.000 -0.091) 0.310 8.077 ( -0.582 -0.000 -0.229) 0.625 8.451 ( 1.205 0.000 0.089) 1.208 8.464 ( -0.098 0.000 0.185) 0.209 9.113 ( 3.586 0.000 0.084) 3.587 9.125 ( 1.609 0.000 0.351) 1.647 9.213 ( -0.415 -0.000 -0.587) 0.719 9.269 ( -5.252 -0.000 -0.273) 5.259 9.405 ( 1.131 0.000 0.141) 1.140 9.438 ( -2.031 -0.000 -0.663) 2.136 11.919 ( 0.653 -0.000 -0.690) 0.950 11.937 ( -1.136 -0.000 -0.606) 1.287 13.556 ( -0.079 -0.000 -0.333) 0.342 13.569 ( -1.423 -0.000 -0.458) 1.495 13.947 ( 2.255 -0.000 -0.834) 2.404 13.976 ( -0.668 -0.000 -0.708) 0.973 14.664 ( -0.558 -0.000 -1.059) 1.197 14.673 ( -1.338 -0.000 -0.741) 1.529 ======================= Grid point 252 (93/124) ======================= q-point: ( 0.00 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.000 -0.904 -13.819) 13.849 1.323 ( 0.000 -1.585 -8.113) 8.267 1.415 ( 0.000 -0.646 -5.000) 5.041 1.472 ( 0.000 2.426 2.135) 3.231 1.794 ( 0.000 -2.385 1.798) 2.986 1.832 ( 0.000 2.318 6.057) 6.485 1.925 ( 0.000 0.247 1.926) 1.942 2.333 ( 0.000 -2.683 -1.094) 2.897 2.366 ( 0.000 1.146 1.688) 2.040 2.586 ( 0.000 0.009 4.223) 4.223 2.587 ( 0.000 -0.033 8.157) 8.157 2.723 ( 0.000 -0.301 0.340) 0.454 2.753 ( 0.000 -0.108 -8.222) 8.222 2.988 ( 0.000 -0.515 -4.639) 4.668 3.058 ( 0.000 -0.274 -2.631) 2.645 3.207 ( 0.000 0.768 -10.519) 10.547 3.533 ( 0.000 0.358 -21.751) 21.754 3.910 ( 0.000 0.115 -15.182) 15.182 4.162 ( 0.000 0.037 1.397) 1.398 4.891 ( 0.000 -0.071 1.959) 1.960 5.339 ( 0.000 -0.065 -0.365) 0.371 5.474 ( 0.000 0.120 6.076) 6.077 6.010 ( 0.000 0.066 -0.808) 0.811 6.103 ( 0.000 0.026 8.760) 8.760 6.292 ( 0.000 -0.465 6.463) 6.480 6.311 ( 0.000 0.224 1.922) 1.935 6.863 ( 0.000 -0.088 -2.052) 2.054 6.883 ( 0.000 0.073 -2.336) 2.337 7.360 ( 0.000 -0.064 -2.032) 2.033 7.504 ( 0.000 0.028 -1.624) 1.624 8.072 ( 0.000 -0.220 0.216) 0.308 8.094 ( 0.000 0.278 -0.740) 0.791 8.353 ( 0.000 -0.003 -0.174) 0.174 8.457 ( 0.000 -0.022 0.783) 0.783 8.972 ( 0.000 0.006 0.236) 0.236 9.074 ( 0.000 0.060 1.553) 1.554 9.201 ( 0.000 0.008 -3.013) 3.013 9.466 ( 0.000 -0.105 2.764) 2.766 9.476 ( 0.000 0.043 -2.840) 2.840 9.484 ( 0.000 -0.011 -0.308) 0.308 11.893 ( 0.000 0.047 -1.238) 1.239 11.983 ( 0.000 0.010 -0.661) 0.662 13.613 ( 0.000 -0.187 0.797) 0.819 13.680 ( 0.000 0.212 -1.113) 1.133 13.784 ( 0.000 0.253 -0.689) 0.733 13.925 ( 0.000 -0.310 -1.396) 1.430 14.717 ( 0.000 0.166 -2.381) 2.387 14.786 ( 0.000 0.222 0.992) 1.017 ======================= Grid point 253 (94/124) ======================= q-point: ( 0.14 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 7.116 -0.270 -11.791) 13.774 1.308 ( -0.945 -1.434 -7.999) 8.181 1.484 ( 6.884 -0.492 -3.362) 7.677 1.524 ( 4.619 1.891 3.781) 6.262 1.809 ( -0.120 -1.320 5.147) 5.315 1.851 ( 3.755 1.091 0.198) 3.915 1.913 ( -0.474 0.473 2.079) 2.184 2.340 ( 0.418 -2.372 0.085) 2.410 2.361 ( -0.305 1.137 0.001) 1.177 2.590 ( 0.553 -1.137 4.558) 4.730 2.630 ( 3.463 0.298 8.628) 9.302 2.744 ( 1.110 -1.728 -3.693) 4.226 2.763 ( 1.947 1.370 -5.170) 5.692 2.946 ( -3.307 0.758 -3.611) 4.955 3.079 ( 1.290 -1.538 -3.043) 3.645 3.202 ( -0.420 1.120 -9.545) 9.619 3.522 ( -1.009 0.298 -21.962) 21.987 3.816 ( -7.093 -0.030 -13.187) 14.973 4.267 ( 8.287 0.161 -1.278) 8.386 4.876 ( -1.591 -0.035 1.555) 2.225 5.347 ( 0.737 -0.092 0.138) 0.756 5.458 ( -1.472 0.163 5.647) 5.838 6.025 ( 1.353 0.043 0.134) 1.360 6.101 ( -0.170 0.027 8.666) 8.668 6.286 ( -0.573 -0.541 5.620) 5.675 6.301 ( -0.949 0.354 1.846) 2.105 6.874 ( 1.032 -0.078 -2.015) 2.265 6.891 ( 0.755 0.044 -2.239) 2.363 7.358 ( -0.150 -0.057 -2.047) 2.053 7.489 ( -1.429 0.030 -1.679) 2.205 8.070 ( -0.220 -0.189 0.167) 0.335 8.090 ( -0.341 0.228 -0.663) 0.780 8.373 ( 1.896 -0.003 -0.094) 1.899 8.460 ( 0.315 -0.011 0.710) 0.777 8.988 ( 1.595 0.010 0.190) 1.606 9.083 ( 0.833 0.054 1.492) 1.710 9.201 ( -0.085 0.003 -2.859) 2.860 9.443 ( -2.904 -0.002 -1.332) 3.195 9.454 ( -1.131 -0.069 2.592) 2.829 9.478 ( -0.909 -0.013 -1.710) 1.937 11.892 ( -0.044 0.047 -1.218) 1.220 11.973 ( -0.936 0.011 -0.690) 1.163 13.598 ( -1.364 -0.148 0.495) 1.459 13.649 ( -2.524 0.114 -1.059) 2.739 13.817 ( 2.727 0.293 -0.756) 2.845 13.938 ( 1.079 -0.227 -1.247) 1.665 14.698 ( -1.737 0.169 -2.375) 2.947 14.763 ( -2.261 0.173 0.645) 2.358 ======================= Grid point 254 (95/124) ======================= q-point: ( 0.29 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 1.949 -0.893 -6.076) 6.444 1.301 ( 0.715 0.877 -6.693) 6.788 1.620 ( 5.270 -0.072 5.482) 7.604 1.640 ( 6.084 0.359 -0.168) 6.097 1.800 ( -0.258 -0.164 2.247) 2.267 1.872 ( -1.415 -0.050 2.099) 2.532 2.042 ( 12.537 0.475 -3.138) 12.932 2.342 ( 0.109 -1.143 0.143) 1.157 2.358 ( -0.190 0.419 -1.889) 1.944 2.593 ( -0.827 -1.459 2.963) 3.405 2.691 ( 1.919 -0.401 7.714) 7.959 2.773 ( 2.382 -2.432 -5.155) 6.178 2.808 ( 0.876 1.519 -3.451) 3.871 2.890 ( -1.153 2.159 0.445) 2.488 3.098 ( 0.650 -2.596 -3.565) 4.458 3.189 ( -0.946 1.867 -7.042) 7.347 3.502 ( -0.642 0.098 -22.044) 22.054 3.676 ( -6.586 -0.148 -14.359) 15.798 4.443 ( 9.033 0.227 -2.096) 9.276 4.828 ( -3.309 0.045 0.538) 3.353 5.363 ( 0.790 -0.192 1.366) 1.590 5.424 ( -1.673 0.309 4.810) 5.103 6.055 ( 1.395 -0.050 2.400) 2.777 6.097 ( -0.265 0.053 8.273) 8.277 6.272 ( -0.827 -0.706 3.012) 3.202 6.280 ( -0.976 0.650 2.226) 2.516 6.899 ( 1.293 -0.122 -1.939) 2.333 6.909 ( 0.950 0.048 -2.055) 2.265 7.358 ( 0.274 -0.037 -2.046) 2.065 7.451 ( -2.231 0.028 -1.786) 2.858 8.066 ( -0.119 -0.144 0.055) 0.195 8.082 ( -0.487 0.138 -0.473) 0.693 8.417 ( 2.279 -0.003 0.062) 2.280 8.467 ( 0.314 0.013 0.539) 0.624 9.037 ( 3.382 0.013 0.085) 3.383 9.106 ( 1.462 0.037 1.250) 1.924 9.198 ( -0.166 0.002 -2.252) 2.258 9.365 ( -4.857 0.020 -0.799) 4.922 9.428 ( -1.360 -0.090 1.849) 2.297 9.451 ( -1.618 -0.035 -1.773) 2.401 11.893 ( 0.229 0.046 -1.148) 1.172 11.950 ( -1.376 0.018 -0.770) 1.576 13.567 ( -1.501 -0.079 -0.100) 1.506 13.596 ( -2.571 0.010 -1.022) 2.766 13.876 ( 3.071 0.288 -0.841) 3.197 13.958 ( 0.744 -0.050 -1.065) 1.300 14.660 ( -1.837 0.126 -2.223) 2.887 14.707 ( -2.999 0.148 -0.156) 3.007 ======================= Grid point 255 (96/124) ======================= q-point: ( 0.43 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.208 -2.188 -2.552) 3.368 1.320 ( 0.520 3.154 -3.921) 5.059 1.703 ( 2.837 -0.512 5.432) 6.150 1.717 ( 1.787 -0.222 1.668) 2.455 1.803 ( 0.587 -0.163 0.141) 0.625 1.836 ( -2.003 0.538 1.918) 2.825 2.280 ( 7.732 -0.128 -4.272) 8.835 2.340 ( -1.086 -0.712 -2.616) 2.921 2.383 ( 5.350 0.140 -1.619) 5.592 2.531 ( -5.955 -0.578 -1.556) 6.182 2.711 ( 0.477 -2.904 3.251) 4.385 2.772 ( -1.367 3.324 2.420) 4.332 2.845 ( 2.734 -2.093 -0.950) 3.572 2.893 ( -0.130 1.447 0.902) 1.710 3.111 ( 0.736 -3.306 -4.236) 5.424 3.167 ( -1.081 3.128 -4.433) 5.532 3.508 ( 1.435 -0.328 -20.726) 20.778 3.567 ( -4.261 -0.018 -17.547) 18.057 4.611 ( 7.731 0.194 -1.697) 7.918 4.742 ( -5.458 0.130 -0.692) 5.504 5.376 ( 0.490 -0.637 2.797) 2.911 5.398 ( -0.905 0.801 3.861) 4.046 6.076 ( 0.759 -0.333 5.071) 5.139 6.091 ( -0.356 0.265 7.160) 7.173 6.259 ( -0.359 -0.570 1.633) 1.767 6.266 ( -0.406 0.633 1.644) 1.808 6.918 ( 0.552 -0.399 -1.891) 2.010 6.924 ( 0.455 0.294 -1.932) 2.007 7.372 ( 1.255 -0.015 -1.982) 2.346 7.407 ( -2.126 0.018 -1.885) 2.841 8.066 ( 0.133 -0.160 -0.087) 0.226 8.072 ( -0.380 0.118 -0.261) 0.476 8.454 ( 1.309 -0.024 0.212) 1.327 8.469 ( -0.217 0.053 0.358) 0.422 9.114 ( 3.722 0.002 0.066) 3.722 9.135 ( 1.095 0.014 0.658) 1.278 9.197 ( 0.527 0.024 -1.111) 1.230 9.261 ( -5.264 0.034 -0.599) 5.298 9.410 ( -0.223 -0.101 0.402) 0.471 9.421 ( -1.217 -0.050 -1.042) 1.603 11.903 ( 0.757 0.036 -1.030) 1.279 11.923 ( -1.243 0.033 -0.891) 1.530 13.547 ( -0.382 -0.042 -0.612) 0.722 13.556 ( -1.321 -0.023 -0.912) 1.605 13.930 ( 2.211 0.197 -0.947) 2.413 13.960 ( -0.679 0.141 -1.007) 1.223 14.637 ( -0.250 -0.091 -1.770) 1.790 14.657 ( -1.849 0.345 -1.026) 2.143 ======================= Grid point 259 (97/124) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.000 -1.929 -14.006) 14.138 1.165 ( 0.000 -7.518 -5.978) 9.605 1.285 ( 0.000 1.516 -8.066) 8.207 1.495 ( 0.000 3.580 -0.951) 3.705 1.813 ( 0.000 -2.182 1.700) 2.766 1.813 ( 0.000 3.792 -19.158) 19.529 1.993 ( 0.000 1.170 7.975) 8.061 2.191 ( 0.000 -2.441 -13.558) 13.776 2.375 ( 0.000 -0.118 -2.581) 2.583 2.554 ( 0.000 -5.040 -4.330) 6.644 2.643 ( 0.000 0.706 0.512) 0.872 2.714 ( 0.000 -2.077 3.576) 4.135 2.751 ( 0.000 1.099 4.696) 4.823 2.847 ( 0.000 -0.774 -8.294) 8.330 3.006 ( 0.000 -0.543 -2.617) 2.673 3.085 ( 0.000 0.780 -1.841) 1.999 3.273 ( 0.000 3.468 -5.426) 6.439 3.720 ( 0.000 0.015 -6.510) 6.510 4.188 ( 0.000 0.084 1.321) 1.324 4.927 ( 0.000 -0.162 1.791) 1.798 5.329 ( 0.000 -0.184 -0.613) 0.640 5.563 ( 0.000 0.145 3.567) 3.570 5.996 ( 0.000 0.169 -0.753) 0.771 6.234 ( 0.000 -0.046 4.240) 4.240 6.338 ( 0.000 -0.864 3.006) 3.128 6.416 ( 0.000 0.743 5.024) 5.078 6.822 ( 0.000 -0.230 -2.129) 2.142 6.838 ( 0.000 0.201 -2.379) 2.387 7.318 ( 0.000 -0.352 -2.231) 2.258 7.469 ( 0.000 0.243 -2.034) 2.049 8.072 ( 0.000 -0.601 -0.018) 0.602 8.088 ( 0.000 0.745 -0.061) 0.748 8.350 ( 0.000 -0.009 -0.120) 0.120 8.472 ( 0.000 -0.063 0.838) 0.840 8.976 ( 0.000 0.021 0.174) 0.176 9.113 ( 0.000 0.156 2.522) 2.526 9.148 ( 0.000 -0.079 -2.502) 2.503 9.412 ( 0.000 0.066 -3.849) 3.849 9.477 ( 0.000 -0.029 -0.356) 0.357 9.516 ( 0.000 -0.178 2.438) 2.444 11.869 ( 0.000 0.174 -1.216) 1.228 11.970 ( 0.000 -0.126 -0.729) 0.740 13.625 ( 0.000 -0.939 0.446) 1.040 13.656 ( 0.000 1.133 -1.359) 1.769 13.774 ( 0.000 0.457 -0.573) 0.733 13.894 ( 0.000 -0.611 -1.511) 1.630 14.660 ( 0.000 0.631 -3.872) 3.923 14.812 ( 0.000 0.471 1.439) 1.514 ======================= Grid point 260 (98/124) ======================= q-point: ( 0.14 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 10.390 0.017 -12.195) 16.021 1.135 ( -1.883 -5.870 -7.614) 9.797 1.378 ( 9.015 0.749 -7.400) 11.687 1.571 ( 6.649 2.501 0.259) 7.109 1.818 ( 1.387 0.456 -12.786) 12.869 1.860 ( 4.023 0.550 -2.401) 4.717 1.975 ( -1.286 1.980 7.597) 7.956 2.215 ( 1.595 -2.258 -11.946) 12.262 2.343 ( -2.954 0.043 -3.476) 4.562 2.550 ( -0.488 -4.205 -5.531) 6.965 2.620 ( -1.247 -0.804 0.282) 1.510 2.751 ( 2.802 -2.353 2.829) 4.626 2.794 ( 2.333 0.883 4.708) 5.328 2.831 ( 0.475 0.519 -7.414) 7.447 3.013 ( 0.319 -2.289 -2.024) 3.072 3.093 ( 0.810 1.959 -2.391) 3.195 3.258 ( -1.386 2.982 -5.417) 6.337 3.646 ( -6.434 -0.146 -5.845) 8.694 4.266 ( 6.916 0.262 0.510) 6.940 4.904 ( -2.268 -0.083 1.387) 2.660 5.347 ( 1.655 -0.242 -0.037) 1.673 5.541 ( -1.977 0.267 3.346) 3.896 6.022 ( 2.304 0.172 -0.508) 2.366 6.226 ( -0.819 -0.031 3.515) 3.609 6.327 ( -0.940 -0.608 3.248) 3.436 6.402 ( -1.308 0.554 4.847) 5.051 6.833 ( 1.106 -0.187 -2.084) 2.367 6.847 ( 0.897 0.107 -2.275) 2.448 7.315 ( -0.184 -0.333 -2.281) 2.312 7.453 ( -1.512 0.225 -2.070) 2.573 8.070 ( -0.219 -0.546 0.021) 0.589 8.084 ( -0.348 0.644 -0.134) 0.745 8.372 ( 2.043 -0.009 -0.024) 2.043 8.474 ( 0.191 -0.031 0.764) 0.788 8.991 ( 1.503 0.032 0.116) 1.508 9.120 ( 0.649 0.139 2.408) 2.498 9.149 ( 0.159 -0.077 -2.425) 2.431 9.397 ( -1.605 0.074 -3.383) 3.746 9.457 ( -1.872 -0.057 -0.612) 1.970 9.501 ( -1.482 -0.184 2.291) 2.735 11.869 ( 0.002 0.164 -1.185) 1.197 11.959 ( -0.970 -0.113 -0.736) 1.223 13.605 ( -1.860 -0.726 0.150) 2.003 13.626 ( -2.538 0.643 -1.320) 2.933 13.806 ( 2.682 0.570 -0.651) 2.818 13.912 ( 1.539 -0.237 -1.113) 1.914 14.643 ( -1.544 0.582 -3.658) 4.013 14.780 ( -3.052 0.226 0.951) 3.205 ======================= Grid point 261 (99/124) ======================= q-point: ( 0.29 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 3.269 -0.602 -11.435) 11.909 1.123 ( 1.798 -0.455 -10.248) 10.415 1.595 ( 10.598 -1.611 -4.550) 11.645 1.712 ( 6.637 1.527 1.700) 7.019 1.864 ( 2.949 -1.134 -6.533) 7.257 1.951 ( -0.261 2.657 8.400) 8.814 1.983 ( 7.239 1.546 -3.100) 8.025 2.220 ( -1.627 -0.600 -13.336) 13.448 2.279 ( -2.378 0.646 -5.629) 6.145 2.527 ( -2.094 -2.871 -5.505) 6.552 2.613 ( 0.571 -3.003 -0.786) 3.156 2.755 ( -1.795 0.470 -5.101) 5.428 2.841 ( 3.658 -2.868 4.471) 6.449 2.911 ( 5.049 1.558 1.188) 5.416 3.011 ( -0.463 -4.059 -1.662) 4.410 3.111 ( 0.709 3.516 -2.656) 4.463 3.231 ( -0.782 1.670 -5.564) 5.862 3.501 ( -7.719 -0.290 -5.410) 9.430 4.427 ( 8.725 0.398 -0.227) 8.737 4.839 ( -4.202 0.077 0.601) 4.245 5.385 ( 1.948 -0.364 1.113) 2.272 5.498 ( -2.158 0.552 2.985) 3.724 6.073 ( 2.615 0.064 -0.154) 2.620 6.202 ( -1.563 0.140 1.753) 2.353 6.311 ( -0.519 -0.194 4.038) 4.075 6.369 ( -1.850 0.266 4.557) 4.925 6.859 ( 1.317 -0.210 -2.011) 2.413 6.868 ( 1.104 0.008 -2.129) 2.398 7.315 ( 0.318 -0.246 -2.309) 2.343 7.414 ( -2.311 0.165 -2.110) 3.134 8.065 ( -0.174 -0.393 0.043) 0.432 8.076 ( -0.407 0.377 -0.175) 0.582 8.419 ( 2.428 -0.003 0.131) 2.432 8.478 ( 0.138 0.033 0.588) 0.605 9.038 ( 3.267 0.045 -0.017) 3.267 9.137 ( 0.917 0.099 1.935) 2.144 9.156 ( 0.561 -0.044 -2.051) 2.127 9.342 ( -4.017 0.100 -1.779) 4.395 9.418 ( -1.627 -0.132 -1.480) 2.203 9.462 ( -2.258 -0.189 1.775) 2.878 11.872 ( 0.322 0.135 -1.101) 1.155 11.935 ( -1.451 -0.070 -0.777) 1.648 13.563 ( -2.037 -0.367 -0.318) 2.094 13.573 ( -2.508 0.130 -1.312) 2.833 13.864 ( 2.969 0.556 -0.695) 3.099 13.940 ( 0.969 0.303 -0.759) 1.267 14.611 ( -1.357 0.397 -2.996) 3.313 14.707 ( -3.935 0.065 -0.049) 3.936 ======================= Grid point 262 (100/124) ======================= q-point: ( 0.43 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 1.285 -0.769 -11.297) 11.396 1.161 ( 0.625 1.835 -12.169) 12.323 1.748 ( 4.945 -2.389 0.013) 5.492 1.801 ( 1.556 0.130 2.397) 2.861 1.912 ( 1.704 -1.001 5.452) 5.799 1.946 ( -0.258 0.758 9.570) 9.604 2.094 ( 2.906 2.677 -15.031) 15.542 2.159 ( -3.759 1.213 -17.671) 18.107 2.322 ( 6.814 1.154 -4.126) 8.049 2.456 ( -5.339 -0.784 -3.317) 6.334 2.635 ( 1.255 -4.148 -3.091) 5.323 2.717 ( -1.632 0.394 -5.090) 5.360 2.909 ( 2.921 -3.714 4.577) 6.578 2.961 ( -1.020 -2.010 1.607) 2.769 3.026 ( 2.358 -0.523 0.021) 2.415 3.112 ( -0.529 4.114 -3.442) 5.390 3.249 ( 2.836 -0.239 -5.745) 6.412 3.357 ( -6.310 0.066 -5.605) 8.440 4.595 ( 8.031 0.336 -0.384) 8.047 4.737 ( -6.187 0.225 -0.070) 6.191 5.417 ( 1.209 -0.697 2.129) 2.546 5.462 ( -1.289 1.026 2.573) 3.056 6.118 ( 1.823 -0.450 0.057) 1.879 6.169 ( -1.547 0.773 0.530) 1.808 6.312 ( 0.622 0.004 4.488) 4.531 6.334 ( -1.557 0.115 4.455) 4.721 6.879 ( 0.525 -0.412 -1.950) 2.061 6.886 ( 0.536 0.110 -2.098) 2.168 7.331 ( 1.360 -0.107 -2.233) 2.617 7.368 ( -2.216 0.056 -2.147) 3.086 8.064 ( 0.015 -0.249 0.002) 0.250 8.070 ( -0.245 0.138 -0.119) 0.305 8.459 ( 1.437 0.001 0.267) 1.461 8.477 ( -0.367 0.087 0.396) 0.547 9.114 ( 3.888 0.017 -0.056) 3.888 9.149 ( 0.055 0.040 0.833) 0.836 9.174 ( 1.569 0.049 -1.234) 1.997 9.247 ( -5.130 0.110 -0.900) 5.209 9.401 ( 0.015 -0.185 -0.891) 0.910 9.420 ( -1.742 -0.181 0.665) 1.874 11.883 ( 0.868 0.069 -0.987) 1.316 11.906 ( -1.348 0.009 -0.869) 1.604 13.533 ( -0.797 -0.157 -0.773) 1.121 13.536 ( -1.083 -0.072 -1.130) 1.567 13.916 ( 2.074 0.497 -0.766) 2.266 13.944 ( -0.587 0.578 -0.764) 1.123 14.600 ( 0.325 -0.065 -2.023) 2.050 14.639 ( -2.545 0.479 -1.087) 2.808 ======================= Grid point 266 (101/124) ======================= q-point: ( 0.00 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 0.000 -3.928 -10.509) 11.219 0.980 ( 0.000 -16.055 -10.602) 19.240 1.161 ( 0.000 4.053 -5.972) 7.218 1.298 ( 0.000 -3.995 -25.344) 25.657 1.497 ( 0.000 4.882 -0.981) 4.979 1.825 ( 0.000 -2.992 1.063) 3.176 1.852 ( 0.000 4.955 -19.902) 20.510 2.109 ( 0.000 0.833 3.464) 3.563 2.373 ( 0.000 -0.757 2.657) 2.762 2.473 ( 0.000 -3.872 -1.681) 4.221 2.642 ( 0.000 -0.459 -1.629) 1.692 2.756 ( 0.000 -2.783 3.508) 4.478 2.775 ( 0.000 1.976 -0.549) 2.051 2.850 ( 0.000 1.283 3.442) 3.673 2.953 ( 0.000 -0.734 -2.455) 2.563 3.114 ( 0.000 -2.567 4.235) 4.952 3.284 ( 0.000 4.947 1.778) 5.257 3.625 ( 0.000 0.653 -3.952) 4.005 4.209 ( 0.000 0.119 0.775) 0.784 4.954 ( 0.000 -0.083 1.128) 1.131 5.316 ( 0.000 -0.318 -0.519) 0.608 5.614 ( 0.000 0.068 1.755) 1.756 5.985 ( 0.000 0.266 -0.444) 0.518 6.269 ( 0.000 -0.104 0.702) 0.709 6.402 ( 0.000 -0.073 3.003) 3.004 6.487 ( 0.000 0.637 2.033) 2.131 6.786 ( 0.000 -0.310 -1.352) 1.388 6.802 ( 0.000 0.280 -1.481) 1.507 7.276 ( 0.000 -1.024 -1.700) 1.984 7.436 ( 0.000 0.640 -1.606) 1.729 8.069 ( 0.000 -0.367 0.010) 0.367 8.095 ( 0.000 0.558 0.246) 0.610 8.348 ( 0.000 -0.018 -0.051) 0.054 8.485 ( 0.000 -0.108 0.544) 0.555 8.979 ( 0.000 0.040 0.080) 0.089 9.109 ( 0.000 -0.282 -1.418) 1.445 9.171 ( 0.000 0.293 3.375) 3.388 9.336 ( 0.000 0.172 -4.171) 4.174 9.471 ( 0.000 -0.045 -0.244) 0.248 9.552 ( 0.000 -0.329 1.465) 1.502 11.852 ( 0.000 0.355 -0.767) 0.845 11.956 ( 0.000 -0.386 -0.516) 0.644 13.603 ( 0.000 -0.299 -1.811) 1.835 13.660 ( 0.000 0.552 0.664) 0.864 13.767 ( 0.000 0.386 -0.422) 0.572 13.867 ( 0.000 -0.641 -0.864) 1.075 14.583 ( 0.000 0.721 -4.466) 4.523 14.840 ( 0.000 0.482 1.041) 1.147 ======================= Grid point 267 (102/124) ======================= q-point: ( 0.14 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 11.959 -0.995 -9.296) 15.179 0.954 ( -0.838 -11.706 -9.059) 14.826 1.184 ( 1.447 -0.807 -16.718) 16.800 1.384 ( 10.481 0.410 -15.233) 18.495 1.601 ( 8.049 4.278 -0.991) 9.169 1.836 ( 0.294 4.025 -14.424) 14.978 1.878 ( 3.167 -0.015 -3.281) 4.560 2.155 ( 3.704 -1.401 4.860) 6.269 2.346 ( -2.561 -0.852 3.452) 4.382 2.455 ( -1.399 -4.121 -2.337) 4.940 2.629 ( -0.778 -1.175 -1.167) 1.830 2.715 ( -3.346 1.464 -1.358) 3.897 2.808 ( 2.765 -1.285 2.475) 3.927 2.881 ( 2.715 1.018 2.343) 3.728 2.979 ( 1.905 -1.951 -0.546) 2.781 3.113 ( 0.019 -1.601 3.613) 3.952 3.257 ( -2.335 3.734 0.701) 4.459 3.559 ( -5.878 0.521 -3.709) 6.970 4.278 ( 6.292 0.300 0.458) 6.315 4.924 ( -2.825 -0.025 0.794) 2.934 5.344 ( 2.536 -0.412 0.002) 2.570 5.591 ( -2.027 0.169 1.816) 2.727 6.012 ( 2.352 0.544 -0.580) 2.483 6.247 ( -2.013 -0.014 0.019) 2.013 6.397 ( -0.472 -0.032 3.114) 3.150 6.471 ( -1.455 0.375 2.127) 2.604 6.799 ( 1.203 -0.213 -1.293) 1.779 6.812 ( 0.971 0.138 -1.410) 1.718 7.272 ( -0.237 -0.999 -1.767) 2.043 7.420 ( -1.522 0.582 -1.559) 2.255 8.067 ( -0.171 -0.391 0.006) 0.427 8.089 ( -0.525 0.518 0.147) 0.752 8.372 ( 2.175 -0.009 0.028) 2.175 8.487 ( 0.100 -0.052 0.496) 0.508 8.992 ( 1.408 0.063 0.027) 1.409 9.111 ( 0.297 -0.263 -1.406) 1.461 9.175 ( 0.340 0.267 3.237) 3.265 9.327 ( -0.858 0.163 -3.918) 4.014 9.448 ( -2.183 -0.072 -0.285) 2.203 9.535 ( -1.702 -0.329 1.391) 2.223 11.852 ( 0.054 0.324 -0.730) 0.800 11.946 ( -0.960 -0.366 -0.509) 1.147 13.583 ( -1.781 -0.287 -1.555) 2.381 13.622 ( -3.096 -0.138 0.180) 3.104 13.798 ( 2.640 0.492 -0.495) 2.730 13.901 ( 2.511 0.656 -0.132) 2.599 14.572 ( -0.895 0.612 -3.919) 4.066 14.795 ( -4.035 -0.261 0.575) 4.084 ======================= Grid point 268 (103/124) ======================= q-point: ( 0.29 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 2.751 -2.292 -10.514) 11.107 0.952 ( 0.330 -0.725 -8.006) 8.045 1.296 ( 8.889 -1.786 -23.825) 25.492 1.623 ( 8.693 0.269 -8.748) 12.336 1.742 ( 6.670 3.658 -6.810) 10.210 1.857 ( 2.289 4.679 -8.953) 10.358 1.965 ( 5.843 1.028 -0.416) 5.947 2.205 ( 0.423 -2.180 9.503) 9.759 2.292 ( -1.964 -1.046 4.561) 5.075 2.435 ( -0.481 -5.479 -2.760) 6.154 2.610 ( -2.011 -0.572 -3.725) 4.272 2.663 ( -0.833 0.681 -0.232) 1.100 2.856 ( 1.680 -2.228 0.377) 2.816 2.943 ( 3.275 0.507 0.392) 3.337 3.011 ( 1.310 -3.055 2.680) 4.270 3.119 ( 0.508 0.673 1.859) 2.041 3.213 ( -1.634 1.880 -0.479) 2.536 3.426 ( -7.024 0.309 -2.855) 7.588 4.429 ( 8.374 0.437 0.058) 8.386 4.849 ( -4.722 0.141 0.319) 4.735 5.401 ( 2.869 -0.604 0.838) 3.049 5.545 ( -2.343 0.349 1.720) 2.928 6.063 ( 2.519 0.815 -0.778) 2.760 6.200 ( -2.494 0.483 -0.983) 2.724 6.389 ( -0.232 -0.000 3.256) 3.264 6.437 ( -1.755 0.101 2.420) 2.991 6.826 ( 1.346 -0.188 -1.244) 1.843 6.834 ( 1.110 -0.093 -1.355) 1.754 7.273 ( 0.449 -0.732 -1.737) 1.937 7.380 ( -2.339 0.403 -1.481) 2.797 8.064 ( -0.115 -0.359 0.019) 0.377 8.078 ( -0.541 0.331 0.030) 0.634 8.422 ( 2.535 -0.003 0.112) 2.537 8.488 ( 0.001 0.054 0.383) 0.387 9.037 ( 3.147 0.102 -0.084) 3.150 9.124 ( 1.043 -0.152 -1.207) 1.602 9.180 ( -0.104 0.196 2.424) 2.434 9.300 ( -2.133 0.191 -2.583) 3.355 9.397 ( -2.278 -0.194 -0.630) 2.372 9.489 ( -2.809 -0.311 1.125) 3.042 11.856 ( 0.383 0.232 -0.661) 0.799 11.921 ( -1.463 -0.278 -0.512) 1.575 13.543 ( -1.962 -0.244 -1.187) 2.307 13.560 ( -2.788 -0.362 -0.272) 2.825 13.856 ( 2.954 0.481 -0.494) 3.034 13.939 ( 1.065 1.619 0.111) 1.941 14.558 ( -0.340 0.412 -2.666) 2.720 14.704 ( -4.763 -0.623 -0.153) 4.806 ======================= Grid point 269 (104/124) ======================= q-point: ( 0.43 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 2.258 0.294 -9.866) 10.126 0.952 ( -0.865 3.237 -10.076) 10.619 1.473 ( 8.080 -2.019 -22.858) 24.328 1.631 ( -4.424 0.767 -22.090) 22.542 1.866 ( 3.389 0.754 0.894) 3.585 1.898 ( 1.050 2.190 -0.793) 2.555 2.105 ( 6.106 2.766 2.429) 7.130 2.182 ( -1.794 0.119 10.166) 10.324 2.299 ( 3.051 -0.284 1.279) 3.321 2.407 ( -3.291 -2.023 -1.219) 4.051 2.567 ( -1.192 -3.895 -2.593) 4.829 2.666 ( 0.281 -2.504 -0.853) 2.660 2.873 ( 0.320 -2.824 -1.198) 3.084 2.990 ( 1.064 -1.046 0.525) 1.581 3.042 ( 1.857 -0.314 0.455) 1.937 3.117 ( -0.867 1.771 1.314) 2.369 3.215 ( 2.214 0.299 -0.102) 2.236 3.298 ( -5.499 0.041 -1.445) 5.686 4.594 ( 8.012 0.376 -0.096) 8.021 4.738 ( -6.490 0.278 0.002) 6.496 5.450 ( 1.906 -0.663 1.650) 2.607 5.504 ( -1.712 0.405 1.252) 2.159 6.105 ( 1.614 0.635 -0.787) 1.904 6.157 ( -1.663 1.289 -1.601) 2.644 6.390 ( 0.422 -0.023 3.160) 3.188 6.407 ( -1.238 -0.002 2.824) 3.083 6.846 ( 0.525 -0.339 -1.170) 1.327 6.851 ( 0.518 -0.136 -1.432) 1.529 7.293 ( 1.562 -0.319 -1.586) 2.249 7.333 ( -2.339 0.088 -1.483) 2.771 8.063 ( 0.073 -0.222 0.055) 0.240 8.069 ( -0.323 0.053 -0.031) 0.328 8.463 ( 1.563 0.044 0.188) 1.575 8.484 ( -0.514 0.108 0.256) 0.584 9.113 ( 4.035 0.088 -0.124) 4.038 9.155 ( 2.281 0.016 -0.767) 2.407 9.165 ( -1.418 0.081 0.767) 1.614 9.230 ( -4.603 0.195 -0.880) 4.690 9.387 ( 1.221 -0.273 -0.458) 1.332 9.431 ( -2.842 -0.283 0.538) 2.907 11.868 ( 0.918 0.070 -0.597) 1.097 11.892 ( -1.387 -0.110 -0.553) 1.497 13.515 ( -0.728 -0.229 -0.877) 1.163 13.519 ( -1.208 -0.269 -0.595) 1.373 13.908 ( 2.183 0.791 -0.413) 2.358 13.940 ( -0.834 1.411 -0.233) 1.655 14.566 ( 1.256 0.035 -1.360) 1.852 14.621 ( -3.280 -0.004 -0.925) 3.408 ======================= Grid point 273 (105/124) ======================= q-point: ( 0.00 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 0.000 -7.150 -0.000) 7.150 0.622 ( 0.000 -16.066 -0.000) 16.066 1.037 ( 0.000 -24.366 -0.000) 24.366 1.131 ( 0.000 6.175 0.000) 6.175 1.519 ( 0.000 5.917 0.000) 5.917 1.681 ( 0.000 12.969 0.000) 12.969 1.817 ( 0.000 -3.541 -0.000) 3.541 2.140 ( 0.000 0.145 0.000) 0.145 2.405 ( 0.000 -4.164 -0.000) 4.164 2.435 ( 0.000 -1.367 -0.000) 1.367 2.615 ( 0.000 -1.871 -0.000) 1.871 2.790 ( 0.000 -2.954 -0.000) 2.954 2.798 ( 0.000 6.212 0.000) 6.212 2.874 ( 0.000 0.351 0.000) 0.351 2.928 ( 0.000 0.115 0.000) 0.115 3.155 ( 0.000 -2.503 -0.000) 2.503 3.334 ( 0.000 3.088 0.000) 3.088 3.594 ( 0.000 2.526 0.000) 2.526 4.217 ( 0.000 0.138 0.000) 0.138 4.966 ( 0.000 0.092 0.000) 0.092 5.309 ( 0.000 -0.403 -0.000) 0.403 5.631 ( 0.000 0.105 0.000) 0.105 5.983 ( 0.000 0.325 0.000) 0.325 6.280 ( 0.000 0.804 0.000) 0.804 6.431 ( 0.000 0.209 0.000) 0.209 6.504 ( 0.000 -0.022 -0.000) 0.022 6.771 ( 0.000 -0.301 -0.000) 0.301 6.789 ( 0.000 0.272 0.000) 0.272 7.249 ( 0.000 -1.751 -0.000) 1.751 7.423 ( 0.000 0.794 0.000) 0.794 8.068 ( 0.000 -0.256 -0.000) 0.256 8.101 ( 0.000 0.498 0.000) 0.498 8.348 ( 0.000 -0.024 -0.000) 0.024 8.490 ( 0.000 -0.136 -0.000) 0.136 8.980 ( 0.000 0.052 0.000) 0.052 9.094 ( 0.000 -0.376 -0.000) 0.376 9.226 ( 0.000 0.350 0.000) 0.350 9.276 ( 0.000 0.241 0.000) 0.241 9.468 ( 0.000 -0.055 -0.000) 0.055 9.564 ( 0.000 -0.440 -0.000) 0.440 11.847 ( 0.000 0.499 0.000) 0.499 11.948 ( 0.000 -0.563 -0.000) 0.563 13.578 ( 0.000 -0.416 -0.000) 0.416 13.670 ( 0.000 0.195 0.000) 0.195 13.764 ( 0.000 0.265 0.000) 0.265 13.856 ( 0.000 -0.582 -0.000) 0.582 14.528 ( 0.000 -0.520 -0.000) 0.520 14.852 ( 0.000 0.350 0.000) 0.350 ======================= Grid point 274 (106/124) ======================= q-point: ( 0.14 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 5.995 -6.730 -0.000) 9.014 0.658 ( 10.490 -11.416 -0.000) 15.504 0.999 ( -0.813 -12.494 -0.000) 12.521 1.296 ( 13.733 3.152 0.000) 14.091 1.589 ( 1.615 7.632 0.000) 7.801 1.715 ( 6.315 9.420 0.000) 11.341 1.870 ( 4.465 -1.551 -0.000) 4.727 2.192 ( 4.738 -1.576 -0.000) 4.993 2.382 ( -2.023 -4.164 -0.000) 4.629 2.411 ( -2.196 -1.547 -0.000) 2.686 2.599 ( -1.631 -1.946 -0.000) 2.539 2.734 ( -3.172 3.800 0.000) 4.950 2.825 ( 1.443 -0.586 -0.000) 1.558 2.902 ( 2.119 0.124 0.000) 2.123 2.969 ( 3.247 -0.755 -0.000) 3.333 3.155 ( 0.117 -2.347 -0.000) 2.349 3.273 ( -4.946 0.340 0.000) 4.957 3.529 ( -5.634 2.295 0.000) 6.083 4.285 ( 6.125 0.301 0.000) 6.132 4.932 ( -3.074 0.032 0.000) 3.074 5.342 ( 2.905 -0.506 -0.000) 2.949 5.609 ( -1.971 0.104 0.000) 1.974 6.011 ( 2.419 1.022 0.000) 2.626 6.248 ( -2.720 0.282 0.000) 2.735 6.427 ( -0.360 0.169 0.000) 0.398 6.489 ( -1.284 -0.050 -0.000) 1.285 6.786 ( 1.276 -0.149 -0.000) 1.284 6.799 ( 0.952 0.138 0.000) 0.962 7.245 ( -0.177 -1.642 -0.000) 1.651 7.408 ( -1.481 0.748 0.000) 1.659 8.065 ( -0.194 -0.299 -0.000) 0.357 8.093 ( -0.636 0.433 0.000) 0.770 8.372 ( 2.228 0.010 0.000) 2.228 8.491 ( 0.087 -0.067 -0.000) 0.110 8.993 ( 1.372 0.087 0.000) 1.375 9.096 ( 0.353 -0.357 -0.000) 0.502 9.230 ( 0.147 0.358 0.000) 0.387 9.269 ( -0.570 0.182 0.000) 0.598 9.445 ( -2.248 -0.082 -0.000) 2.249 9.546 ( -1.772 -0.427 -0.000) 1.822 11.847 ( 0.067 0.451 0.000) 0.456 11.938 ( -0.944 -0.557 -0.000) 1.096 13.562 ( -1.451 -0.397 -0.000) 1.505 13.621 ( -3.576 -0.783 -0.000) 3.661 13.795 ( 2.605 0.316 0.000) 2.624 13.911 ( 3.607 2.300 0.000) 4.278 14.527 ( -0.107 -0.322 -0.000) 0.339 14.796 ( -4.793 -1.144 -0.000) 4.927 ======================= Grid point 275 (107/124) ======================= q-point: ( 0.29 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 6.063 -1.635 -0.000) 6.279 0.804 ( 4.214 -8.454 -0.000) 9.446 1.072 ( 6.797 1.791 0.000) 7.029 1.499 ( -1.976 5.409 0.000) 5.759 1.667 ( 14.035 2.000 0.000) 14.177 1.858 ( 5.645 4.401 0.000) 7.158 1.972 ( 6.022 1.939 0.000) 6.326 2.296 ( 4.694 -5.585 -0.000) 7.296 2.339 ( -2.008 -4.040 -0.000) 4.511 2.363 ( -2.214 -1.462 -0.000) 2.653 2.554 ( -2.507 0.437 0.000) 2.545 2.683 ( -2.318 1.304 0.000) 2.660 2.854 ( 1.680 -0.501 -0.000) 1.753 2.940 ( 1.321 -0.698 -0.000) 1.494 3.031 ( 2.761 -2.024 -0.000) 3.424 3.156 ( -1.074 -2.529 -0.000) 2.748 3.191 ( -1.652 0.494 0.000) 1.724 3.405 ( -6.358 1.707 0.000) 6.583 4.432 ( 8.235 0.423 0.000) 8.246 4.853 ( -4.868 0.192 0.000) 4.872 5.406 ( 3.227 -0.822 -0.000) 3.330 5.563 ( -2.533 0.059 0.000) 2.533 6.063 ( 2.555 1.644 0.000) 3.038 6.192 ( -2.713 0.640 0.000) 2.787 6.420 ( -0.219 0.102 0.000) 0.241 6.460 ( -1.533 -0.032 -0.000) 1.533 6.813 ( 1.351 -0.158 -0.000) 1.360 6.820 ( 1.024 -0.146 -0.000) 1.035 7.249 ( 0.701 -1.084 -0.000) 1.291 7.368 ( -2.398 0.509 0.000) 2.451 8.062 ( -0.088 -0.293 -0.000) 0.305 8.080 ( -0.654 0.257 0.000) 0.703 8.423 ( 2.570 -0.001 -0.000) 2.570 8.492 ( -0.030 0.064 0.000) 0.071 9.037 ( 3.106 0.161 0.000) 3.110 9.111 ( 1.251 -0.198 -0.000) 1.266 9.216 ( -1.641 0.259 0.000) 1.661 9.265 ( -0.228 0.219 0.000) 0.317 9.391 ( -2.609 -0.228 -0.000) 2.619 9.498 ( -2.989 -0.384 -0.000) 3.013 11.851 ( 0.368 0.306 0.000) 0.478 11.914 ( -1.426 -0.443 -0.000) 1.493 13.528 ( -1.721 -0.348 -0.000) 1.755 13.555 ( -2.912 -0.652 -0.000) 2.984 13.853 ( 3.055 0.402 0.000) 3.082 13.957 ( 0.819 3.073 0.000) 3.180 14.529 ( 0.552 0.039 0.000) 0.553 14.695 ( -4.972 -1.458 -0.000) 5.181 ======================= Grid point 276 (108/124) ======================= q-point: ( 0.43 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 4.334 2.499 0.000) 5.003 0.863 ( 0.547 3.355 0.000) 3.400 1.220 ( 8.168 -0.321 -0.000) 8.174 1.384 ( -7.795 1.923 0.000) 8.028 1.882 ( 5.304 1.483 0.000) 5.507 1.920 ( 0.729 2.578 0.000) 2.679 2.137 ( 10.128 3.306 0.000) 10.654 2.287 ( -4.258 -0.613 -0.000) 4.302 2.329 ( 0.341 -5.272 -0.000) 5.283 2.351 ( -0.906 -3.574 -0.000) 3.687 2.540 ( 2.179 -0.897 -0.000) 2.356 2.618 ( -4.382 -3.391 -0.000) 5.541 2.900 ( 2.765 0.893 0.000) 2.905 2.943 ( -1.138 -0.075 -0.000) 1.141 3.075 ( 1.798 -2.348 -0.000) 2.957 3.112 ( -2.125 -1.514 -0.000) 2.609 3.216 ( 2.804 0.417 0.000) 2.835 3.292 ( -4.874 0.780 0.000) 4.936 4.595 ( 7.982 0.384 0.000) 7.991 4.740 ( -6.572 0.314 0.000) 6.579 5.464 ( 2.671 -0.698 -0.000) 2.761 5.514 ( -2.431 -0.244 -0.000) 2.443 6.107 ( 1.967 1.766 0.000) 2.644 6.145 ( -2.026 1.416 0.000) 2.472 6.420 ( 0.304 0.003 0.000) 0.304 6.434 ( -1.037 -0.033 -0.000) 1.037 6.834 ( 0.590 -0.274 -0.000) 0.651 6.835 ( 0.401 -0.299 -0.000) 0.501 7.274 ( 1.818 -0.462 -0.000) 1.876 7.318 ( -2.516 0.074 0.000) 2.517 8.063 ( 0.167 -0.196 -0.000) 0.257 8.069 ( -0.447 0.002 0.000) 0.447 8.466 ( 1.638 0.067 0.000) 1.639 8.487 ( -0.584 0.122 0.000) 0.596 9.112 ( 4.101 0.181 0.000) 4.105 9.147 ( 2.552 -0.033 -0.000) 2.552 9.174 ( -2.401 0.110 0.000) 2.403 9.222 ( -4.075 0.244 0.000) 4.082 9.381 ( 1.730 -0.335 -0.000) 1.762 9.434 ( -3.226 -0.339 -0.000) 3.244 11.863 ( 0.883 0.069 0.000) 0.886 11.885 ( -1.347 -0.209 -0.000) 1.363 13.504 ( -0.554 -0.316 -0.000) 0.637 13.511 ( -1.333 -0.392 -0.000) 1.389 13.910 ( 2.529 1.027 0.000) 2.729 13.949 ( -1.361 2.090 0.000) 2.494 14.553 ( 1.960 0.064 0.000) 1.961 14.609 ( -3.636 -0.556 -0.000) 3.678 ======================= Grid point 322 (109/124) ======================= q-point: ( 0.00 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.000 -0.000 -13.972) 13.972 1.210 ( 0.000 -0.000 -4.083) 4.083 1.278 ( 0.000 -0.000 -8.488) 8.488 1.473 ( 0.000 -0.000 -0.875) 0.875 1.789 ( 0.000 -0.000 -19.802) 19.802 1.826 ( 0.000 0.000 1.661) 1.661 1.985 ( 0.000 0.000 8.151) 8.151 2.208 ( 0.000 -0.000 -13.139) 13.139 2.373 ( 0.000 -0.000 -3.075) 3.075 2.592 ( 0.000 -0.000 -4.168) 4.168 2.630 ( 0.000 -0.000 -0.619) 0.619 2.732 ( 0.000 0.000 6.877) 6.877 2.738 ( 0.000 0.000 1.453) 1.453 2.851 ( 0.000 -0.000 -7.645) 7.645 3.009 ( 0.000 -0.000 -2.597) 2.597 3.083 ( 0.000 -0.000 -0.583) 0.583 3.250 ( 0.000 -0.000 -6.696) 6.696 3.720 ( 0.000 -0.000 -6.421) 6.421 4.188 ( 0.000 0.000 1.319) 1.319 4.928 ( 0.000 0.000 1.772) 1.772 5.330 ( 0.000 -0.000 -0.595) 0.595 5.563 ( 0.000 0.000 3.614) 3.614 5.995 ( 0.000 -0.000 -0.763) 0.763 6.234 ( 0.000 0.000 4.321) 4.321 6.344 ( 0.000 0.000 2.701) 2.701 6.411 ( 0.000 0.000 5.088) 5.088 6.823 ( 0.000 -0.000 -2.101) 2.101 6.836 ( 0.000 -0.000 -2.408) 2.408 7.320 ( 0.000 -0.000 -2.107) 2.107 7.467 ( 0.000 -0.000 -2.124) 2.124 8.080 ( 0.000 0.000 0.456) 0.456 8.080 ( 0.000 -0.000 -0.538) 0.538 8.350 ( 0.000 -0.000 -0.119) 0.119 8.473 ( 0.000 0.000 0.844) 0.844 8.976 ( 0.000 0.000 0.172) 0.172 9.112 ( 0.000 0.000 2.523) 2.523 9.149 ( 0.000 -0.000 -2.480) 2.480 9.412 ( 0.000 -0.000 -3.870) 3.870 9.477 ( 0.000 -0.000 -0.354) 0.354 9.517 ( 0.000 0.000 2.460) 2.460 11.868 ( 0.000 -0.000 -1.242) 1.242 11.970 ( 0.000 -0.000 -0.679) 0.679 13.633 ( 0.000 0.000 1.180) 1.180 13.648 ( 0.000 -0.000 -2.123) 2.123 13.772 ( 0.000 -0.000 -0.530) 0.530 13.897 ( 0.000 -0.000 -1.542) 1.542 14.657 ( 0.000 -0.000 -3.927) 3.927 14.810 ( 0.000 0.000 1.460) 1.460 ======================= Grid point 324 (110/124) ======================= q-point: ( 0.14 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 9.546 -0.000 -12.392) 15.642 1.171 ( -2.769 -0.000 -6.334) 6.913 1.373 ( 9.639 -0.000 -7.851) 12.432 1.557 ( 7.020 0.000 0.596) 7.045 1.809 ( 2.164 -0.000 -16.508) 16.650 1.863 ( 3.661 0.000 0.793) 3.746 1.962 ( -1.701 0.000 7.169) 7.368 2.230 ( 1.272 -0.000 -11.182) 11.254 2.342 ( -2.997 -0.000 -3.727) 4.783 2.578 ( -1.208 -0.000 -5.034) 5.177 2.622 ( -0.210 -0.000 -0.669) 0.701 2.774 ( 1.948 0.000 1.375) 2.385 2.780 ( 4.018 0.000 6.462) 7.610 2.826 ( -0.592 -0.000 -7.258) 7.282 3.031 ( 1.582 -0.000 -2.247) 2.748 3.079 ( -0.312 -0.000 -1.240) 1.279 3.238 ( -1.045 -0.000 -6.440) 6.524 3.648 ( -6.379 -0.000 -5.797) 8.619 4.265 ( 6.848 0.000 0.525) 6.868 4.904 ( -2.309 0.000 1.373) 2.686 5.348 ( 1.687 -0.000 -0.014) 1.687 5.540 ( -2.047 0.000 3.391) 3.961 6.021 ( 2.313 -0.000 -0.553) 2.379 6.226 ( -0.835 0.000 3.567) 3.663 6.331 ( -1.079 0.000 2.991) 3.179 6.398 ( -1.204 0.000 4.921) 5.066 6.835 ( 1.086 -0.000 -2.074) 2.342 6.847 ( 0.947 -0.000 -2.285) 2.473 7.317 ( -0.200 -0.000 -2.162) 2.171 7.452 ( -1.500 -0.000 -2.149) 2.620 8.076 ( -0.356 0.000 0.360) 0.506 8.078 ( -0.185 -0.000 -0.476) 0.510 8.372 ( 2.042 -0.000 -0.023) 2.043 8.475 ( 0.173 0.000 0.766) 0.786 8.991 ( 1.498 0.000 0.112) 1.502 9.119 ( 0.658 0.000 2.411) 2.499 9.150 ( 0.155 -0.000 -2.407) 2.412 9.396 ( -1.611 -0.000 -3.400) 3.762 9.457 ( -1.855 -0.000 -0.614) 1.953 9.502 ( -1.480 0.000 2.312) 2.745 11.868 ( 0.008 -0.000 -1.207) 1.207 11.960 ( -0.978 -0.000 -0.688) 1.196 13.610 ( -2.018 0.000 0.685) 2.131 13.621 ( -2.295 -0.000 -1.832) 2.937 13.803 ( 2.660 -0.000 -0.612) 2.730 13.914 ( 1.367 -0.000 -1.238) 1.844 14.640 ( -1.512 -0.000 -3.692) 3.990 14.778 ( -2.957 0.000 1.022) 3.129 ======================= Grid point 326 (111/124) ======================= q-point: ( 0.29 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 4.777 -0.000 -11.742) 12.677 1.133 ( -0.718 -0.000 -9.812) 9.839 1.605 ( 11.257 -0.000 -4.652) 12.181 1.702 ( 6.804 0.000 2.088) 7.117 1.872 ( 3.953 -0.000 -7.761) 8.710 1.933 ( -1.112 0.000 8.283) 8.357 1.974 ( 7.207 -0.000 -3.277) 7.917 2.224 ( -2.224 -0.000 -12.763) 12.956 2.275 ( -2.666 -0.000 -5.462) 6.078 2.544 ( -2.574 -0.000 -4.592) 5.264 2.633 ( 1.234 -0.000 -1.601) 2.022 2.750 ( -2.219 -0.000 -4.789) 5.278 2.865 ( 4.158 0.000 6.267) 7.521 2.895 ( 4.997 -0.000 -0.081) 4.998 3.052 ( 0.319 -0.000 -1.740) 1.769 3.073 ( -0.218 -0.000 -2.549) 2.558 3.221 ( -0.176 -0.000 -6.057) 6.060 3.503 ( -7.727 -0.000 -5.409) 9.432 4.425 ( 8.718 -0.000 -0.205) 8.720 4.839 ( -4.249 0.000 0.596) 4.291 5.387 ( 2.008 0.000 1.140) 2.309 5.494 ( -2.273 0.000 3.033) 3.790 6.073 ( 2.690 -0.000 -0.251) 2.702 6.201 ( -1.669 0.000 1.676) 2.365 6.312 ( -0.615 0.000 3.937) 3.985 6.367 ( -1.780 0.000 4.629) 4.960 6.861 ( 1.371 -0.000 -2.027) 2.447 6.868 ( 1.088 -0.000 -2.103) 2.367 7.317 ( 0.278 -0.000 -2.220) 2.237 7.413 ( -2.284 -0.000 -2.161) 3.144 8.069 ( -0.273 0.000 0.190) 0.333 8.073 ( -0.272 -0.000 -0.321) 0.421 8.419 ( 2.425 0.000 0.131) 2.428 8.478 ( 0.120 0.000 0.584) 0.597 9.038 ( 3.266 -0.000 -0.025) 3.266 9.136 ( 0.931 0.000 1.937) 2.149 9.157 ( 0.544 -0.000 -2.043) 2.114 9.342 ( -4.022 -0.000 -1.798) 4.405 9.419 ( -1.607 -0.000 -1.475) 2.181 9.463 ( -2.258 0.000 1.792) 2.883 11.871 ( 0.335 -0.000 -1.112) 1.162 11.935 ( -1.469 -0.000 -0.738) 1.643 13.566 ( -2.159 -0.000 -0.113) 2.162 13.572 ( -2.376 -0.000 -1.472) 2.795 13.861 ( 2.982 -0.000 -0.658) 3.054 13.938 ( 0.846 -0.000 -0.952) 1.273 14.609 ( -1.277 -0.000 -3.005) 3.265 14.706 ( -3.966 0.000 0.054) 3.966 ======================= Grid point 328 (112/124) ======================= q-point: ( 0.43 -0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.864 -0.000 -11.720) 11.752 1.145 ( 0.748 -0.000 -11.966) 11.990 1.765 ( 4.976 0.000 0.740) 5.031 1.799 ( 2.059 0.000 1.913) 2.811 1.923 ( 0.478 0.000 11.029) 11.039 1.935 ( 1.134 0.000 5.787) 5.897 2.078 ( 2.917 -0.000 -16.928) 17.177 2.153 ( -4.387 -0.000 -18.777) 19.283 2.315 ( 7.110 -0.000 -4.046) 8.181 2.460 ( -6.094 -0.000 -3.202) 6.884 2.666 ( 2.039 -0.000 -2.856) 3.509 2.708 ( -2.088 -0.000 -4.304) 4.784 2.936 ( 2.879 0.000 5.630) 6.323 2.964 ( 0.899 0.000 3.560) 3.672 3.053 ( 0.452 -0.000 -2.992) 3.026 3.067 ( -0.525 -0.000 -3.385) 3.425 3.251 ( 3.538 -0.000 -5.957) 6.929 3.357 ( -6.739 -0.000 -5.583) 8.751 4.593 ( 8.067 -0.000 -0.366) 8.075 4.736 ( -6.229 -0.000 -0.061) 6.229 5.423 ( 1.621 0.000 2.110) 2.661 5.455 ( -1.728 0.000 2.677) 3.186 6.122 ( 2.268 -0.000 -0.060) 2.269 6.164 ( -2.014 0.000 0.333) 2.042 6.312 ( 0.590 0.000 4.502) 4.541 6.333 ( -1.529 0.000 4.521) 4.772 6.882 ( 0.660 -0.000 -2.004) 2.110 6.884 ( 0.418 -0.000 -2.020) 2.062 7.332 ( 1.318 -0.000 -2.194) 2.559 7.367 ( -2.179 -0.000 -2.156) 3.066 8.066 ( -0.004 0.000 0.029) 0.030 8.068 ( -0.210 -0.000 -0.139) 0.252 8.459 ( 1.452 0.000 0.256) 1.474 8.476 ( -0.392 0.000 0.398) 0.559 9.114 ( 3.910 -0.000 -0.065) 3.910 9.149 ( 0.077 0.000 0.828) 0.832 9.174 ( 1.526 -0.000 -1.228) 1.959 9.246 ( -5.133 -0.000 -0.914) 5.214 9.402 ( 0.030 -0.000 -0.891) 0.891 9.421 ( -1.750 0.000 0.682) 1.878 11.883 ( 0.897 -0.000 -0.982) 1.330 11.906 ( -1.379 -0.000 -0.844) 1.617 13.534 ( -0.835 -0.000 -0.724) 1.105 13.536 ( -1.051 -0.000 -1.140) 1.551 13.913 ( 2.112 -0.000 -0.790) 2.255 13.941 ( -0.654 -0.000 -0.890) 1.104 14.601 ( 0.630 -0.000 -2.036) 2.131 14.636 ( -2.855 -0.000 -0.999) 3.025 ======================= Grid point 336 (113/124) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 0.000 -0.987 -10.175) 10.223 1.133 ( 0.000 1.103 -6.367) 6.461 1.148 ( 0.000 -13.058 -8.473) 15.566 1.276 ( 0.000 7.128 -20.601) 21.799 1.458 ( 0.000 1.914 -1.037) 2.177 1.833 ( 0.000 -0.288 -23.156) 23.158 1.851 ( 0.000 -1.254 1.133) 1.690 2.099 ( 0.000 0.551 3.628) 3.670 2.373 ( 0.000 0.306 2.941) 2.957 2.510 ( 0.000 -2.125 -2.202) 3.060 2.631 ( 0.000 1.409 -2.052) 2.490 2.764 ( 0.000 0.199 -2.504) 2.512 2.780 ( 0.000 -1.260 3.244) 3.480 2.837 ( 0.000 0.733 3.771) 3.842 2.959 ( 0.000 -0.305 -2.569) 2.587 3.155 ( 0.000 -4.282 6.064) 7.423 3.223 ( 0.000 5.303 1.692) 5.567 3.621 ( 0.000 0.158 -4.664) 4.667 4.208 ( 0.000 0.046 0.775) 0.777 4.955 ( 0.000 -0.015 1.033) 1.033 5.319 ( 0.000 -0.122 -0.497) 0.512 5.613 ( 0.000 0.013 1.777) 1.777 5.983 ( 0.000 0.102 -0.454) 0.466 6.269 ( 0.000 0.037 0.367) 0.369 6.403 ( 0.000 -0.021 2.711) 2.711 6.482 ( 0.000 0.209 2.373) 2.382 6.789 ( 0.000 -0.194 -1.327) 1.341 6.799 ( 0.000 0.183 -1.510) 1.521 7.285 ( 0.000 -0.473 -1.377) 1.456 7.430 ( 0.000 0.289 -1.723) 1.747 8.073 ( 0.000 -0.251 -0.126) 0.280 8.090 ( 0.000 0.324 0.381) 0.501 8.348 ( 0.000 -0.007 -0.049) 0.049 8.486 ( 0.000 -0.041 0.551) 0.552 8.979 ( 0.000 0.015 0.076) 0.078 9.111 ( 0.000 -0.116 -1.382) 1.387 9.169 ( 0.000 0.117 3.374) 3.376 9.334 ( 0.000 0.067 -4.201) 4.201 9.471 ( 0.000 -0.017 -0.242) 0.243 9.555 ( 0.000 -0.130 1.498) 1.503 11.849 ( 0.000 0.127 -0.801) 0.811 11.959 ( 0.000 -0.137 -0.455) 0.475 13.605 ( 0.000 -0.140 -2.044) 2.048 13.656 ( 0.000 0.190 1.069) 1.086 13.764 ( 0.000 0.133 -0.299) 0.327 13.872 ( 0.000 -0.230 -0.974) 1.001 14.578 ( 0.000 0.168 -3.984) 3.988 14.836 ( 0.000 0.166 1.148) 1.160 ======================= Grid point 337 (114/124) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 10.442 0.353 -9.105) 13.859 1.076 ( -3.952 -9.006 -5.358) 11.200 1.169 ( 2.165 3.703 -15.079) 15.677 1.379 ( 11.713 0.163 -16.312) 20.083 1.561 ( 7.663 2.275 -1.354) 8.108 1.805 ( -1.334 1.043 -19.616) 19.689 1.883 ( 2.852 -0.247 0.625) 2.931 2.172 ( 5.198 -1.235 5.003) 7.320 2.349 ( -2.214 0.076 3.680) 4.295 2.493 ( -1.098 -2.092 -2.708) 3.594 2.628 ( -0.058 0.765 -1.525) 1.707 2.703 ( -4.333 0.486 -3.765) 5.761 2.821 ( 2.961 -0.858 2.215) 3.796 2.869 ( 2.850 0.748 2.969) 4.182 2.997 ( 2.787 -0.924 -1.290) 3.207 3.141 ( -1.341 -2.820 6.031) 6.791 3.209 ( -1.098 3.874 0.766) 4.099 3.556 ( -5.816 0.111 -4.417) 7.304 4.276 ( 6.195 0.109 0.487) 6.215 4.924 ( -2.874 0.004 0.738) 2.967 5.348 ( 2.611 -0.152 0.009) 2.615 5.590 ( -2.106 0.049 1.897) 2.835 6.008 ( 2.205 0.186 -0.710) 2.324 6.246 ( -2.113 0.072 -0.211) 2.125 6.397 ( -0.495 -0.007 2.925) 2.967 6.468 ( -1.313 0.124 2.382) 2.722 6.801 ( 1.132 -0.114 -1.305) 1.731 6.811 ( 1.093 0.085 -1.426) 1.798 7.281 ( -0.295 -0.453 -1.453) 1.551 7.414 ( -1.475 0.266 -1.678) 2.250 8.071 ( -0.139 -0.308 -0.109) 0.355 8.083 ( -0.507 0.356 0.269) 0.675 8.372 ( 2.174 -0.004 0.024) 2.174 8.487 ( 0.058 -0.019 0.499) 0.503 8.992 ( 1.392 0.023 0.022) 1.392 9.113 ( 0.273 -0.111 -1.363) 1.394 9.173 ( 0.360 0.106 3.228) 3.250 9.326 ( -0.854 0.064 -3.939) 4.031 9.449 ( -2.158 -0.027 -0.287) 2.177 9.537 ( -1.706 -0.128 1.417) 2.222 11.849 ( 0.078 0.116 -0.758) 0.771 11.949 ( -0.978 -0.130 -0.445) 1.082 13.585 ( -1.799 -0.127 -1.678) 2.464 13.622 ( -2.854 -0.023 0.518) 2.901 13.794 ( 2.630 0.189 -0.353) 2.660 13.896 ( 1.876 0.165 -0.569) 1.968 14.568 ( -0.846 0.152 -3.524) 3.628 14.797 ( -3.698 -0.035 0.797) 3.783 ======================= Grid point 338 (115/124) ======================= q-point: ( 0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 3.526 0.896 -11.670) 12.224 0.977 ( -4.295 -1.938 -5.145) 6.976 1.313 ( 9.664 -0.809 -24.257) 26.124 1.639 ( 6.682 -3.086 -10.828) 13.093 1.692 ( 9.455 4.835 -7.949) 13.265 1.819 ( 3.062 1.700 -7.087) 7.905 1.955 ( 4.580 0.502 -0.215) 4.613 2.226 ( -0.554 -1.090 10.094) 10.168 2.302 ( -1.907 -0.518 5.395) 5.746 2.486 ( -0.461 -2.838 -1.939) 3.468 2.619 ( -1.768 -1.348 -5.167) 5.625 2.645 ( 0.571 2.224 -1.901) 2.981 2.880 ( 2.574 -1.643 -0.370) 3.076 2.930 ( 2.867 1.210 0.958) 3.256 3.044 ( 1.711 -2.191 1.308) 3.072 3.111 ( -1.385 0.815 4.159) 4.459 3.193 ( -0.227 1.144 0.267) 1.197 3.424 ( -6.959 0.085 -3.521) 7.800 4.425 ( 8.365 0.162 0.110) 8.367 4.848 ( -4.787 0.059 0.297) 4.796 5.406 ( 2.944 -0.239 0.867) 3.078 5.542 ( -2.419 0.142 1.939) 3.103 6.057 ( 2.489 0.270 -1.113) 2.740 6.195 ( -2.772 0.246 -1.116) 2.998 6.389 ( -0.228 0.000 3.188) 3.196 6.436 ( -1.689 0.028 2.529) 3.041 6.828 ( 1.384 -0.078 -1.286) 1.890 6.835 ( 1.170 -0.025 -1.333) 1.774 7.279 ( 0.277 -0.330 -1.525) 1.584 7.377 ( -2.226 0.188 -1.567) 2.729 8.068 ( -0.166 -0.364 -0.041) 0.403 8.074 ( -0.419 0.352 0.095) 0.555 8.422 ( 2.525 -0.003 0.112) 2.527 8.488 ( -0.038 0.023 0.379) 0.382 9.036 ( 3.135 0.037 -0.100) 3.137 9.125 ( 0.984 -0.070 -1.175) 1.534 9.178 ( -0.064 0.078 2.410) 2.412 9.299 ( -2.160 0.073 -2.592) 3.375 9.399 ( -2.212 -0.071 -0.633) 2.302 9.491 ( -2.821 -0.119 1.139) 3.045 11.854 ( 0.433 0.082 -0.671) 0.803 11.923 ( -1.515 -0.100 -0.451) 1.583 13.545 ( -1.985 -0.099 -1.199) 2.322 13.563 ( -2.790 -0.123 -0.130) 2.795 13.852 ( 2.918 0.191 -0.370) 2.947 13.927 ( 0.926 0.549 -0.380) 1.142 14.555 ( -0.268 0.119 -2.479) 2.496 14.708 ( -4.841 -0.158 0.103) 4.845 ======================= Grid point 339 (116/124) ======================= q-point: ( 0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 1.015 0.528 -11.514) 11.570 0.928 ( -1.017 0.892 -9.632) 9.727 1.493 ( 8.014 -1.177 -24.077) 25.403 1.622 ( -4.153 0.633 -22.948) 23.329 1.863 ( 3.590 -0.190 0.375) 3.615 1.878 ( 1.786 1.256 -0.022) 2.184 2.082 ( 7.079 1.083 2.476) 7.577 2.180 ( -3.236 0.142 10.623) 11.106 2.304 ( 2.967 -0.355 3.376) 4.509 2.415 ( -6.034 -0.026 -1.659) 6.258 2.623 ( 1.069 -5.080 -1.998) 5.562 2.669 ( 0.988 2.077 -0.691) 2.401 2.915 ( 0.899 -4.141 -3.131) 5.269 2.970 ( 0.966 3.561 -2.842) 4.657 3.063 ( 0.465 -2.575 3.241) 4.165 3.093 ( -0.439 2.302 2.794) 3.647 3.214 ( 2.631 -0.001 0.064) 2.632 3.297 ( -5.522 0.084 -1.701) 5.779 4.591 ( 8.055 0.143 -0.061) 8.056 4.736 ( -6.536 0.108 0.011) 6.537 5.457 ( 2.133 -0.403 1.537) 2.660 5.499 ( -1.943 0.314 1.736) 2.624 6.102 ( 2.005 0.107 -1.389) 2.441 6.145 ( -2.196 0.623 -1.586) 2.779 6.390 ( 0.432 -0.011 3.153) 3.183 6.407 ( -1.221 -0.004 2.858) 3.108 6.849 ( 0.614 -0.197 -1.262) 1.418 6.852 ( 0.474 0.022 -1.339) 1.421 7.295 ( 1.379 -0.142 -1.501) 2.043 7.332 ( -2.180 0.046 -1.489) 2.641 8.066 ( -0.037 -0.213 0.025) 0.217 8.068 ( -0.178 0.146 0.002) 0.231 8.463 ( 1.546 0.013 0.176) 1.556 8.483 ( -0.523 0.045 0.258) 0.585 9.112 ( 4.074 0.033 -0.160) 4.078 9.154 ( 2.188 -0.002 -0.734) 2.308 9.164 ( -1.379 0.033 0.759) 1.575 9.229 ( -4.578 0.073 -0.890) 4.664 9.389 ( 1.226 -0.102 -0.453) 1.311 9.433 ( -2.853 -0.107 0.543) 2.906 11.868 ( 0.998 0.024 -0.584) 1.156 11.893 ( -1.468 -0.040 -0.506) 1.553 13.516 ( -0.716 -0.088 -0.856) 1.119 13.522 ( -1.252 -0.099 -0.545) 1.369 13.902 ( 2.008 0.288 -0.445) 2.077 13.929 ( -0.664 0.528 -0.466) 0.968 14.566 ( 1.579 -0.018 -1.409) 2.116 14.620 ( -3.694 0.054 -0.634) 3.749 ======================= Grid point 343 (117/124) ======================= q-point: ( 0.00 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 0.000 -2.653 -0.000) 2.653 0.780 ( 0.000 -11.047 -0.000) 11.047 1.080 ( 0.000 2.808 0.000) 2.808 1.264 ( 0.000 -14.652 -0.000) 14.652 1.463 ( 0.000 3.649 0.000) 3.649 1.548 ( 0.000 9.603 0.000) 9.603 1.851 ( 0.000 -2.347 -0.000) 2.347 2.134 ( 0.000 0.698 0.000) 0.698 2.422 ( 0.000 -0.257 -0.000) 0.257 2.473 ( 0.000 -3.764 -0.000) 3.764 2.609 ( 0.000 2.812 0.000) 2.812 2.746 ( 0.000 2.299 0.000) 2.299 2.817 ( 0.000 -1.701 -0.000) 1.701 2.872 ( 0.000 0.028 0.000) 0.028 2.927 ( 0.000 0.148 0.000) 0.148 3.185 ( 0.000 -2.425 -0.000) 2.425 3.301 ( 0.000 2.493 0.000) 2.493 3.569 ( 0.000 1.765 0.000) 1.765 4.216 ( 0.000 0.087 0.000) 0.087 4.965 ( 0.000 0.060 0.000) 0.060 5.312 ( 0.000 -0.251 -0.000) 0.251 5.630 ( 0.000 0.046 0.000) 0.046 5.980 ( 0.000 0.203 0.000) 0.203 6.272 ( 0.000 0.497 0.000) 0.497 6.429 ( 0.000 0.120 0.000) 0.120 6.504 ( 0.000 -0.007 -0.000) 0.007 6.775 ( 0.000 -0.309 -0.000) 0.309 6.785 ( 0.000 0.291 0.000) 0.291 7.266 ( 0.000 -1.178 -0.000) 1.178 7.415 ( 0.000 0.596 0.000) 0.596 8.071 ( 0.000 -0.241 -0.000) 0.241 8.095 ( 0.000 0.392 0.000) 0.392 8.348 ( 0.000 -0.015 -0.000) 0.015 8.491 ( 0.000 -0.084 -0.000) 0.084 8.979 ( 0.000 0.032 0.000) 0.032 9.097 ( 0.000 -0.241 -0.000) 0.241 9.223 ( 0.000 0.218 0.000) 0.218 9.274 ( 0.000 0.152 0.000) 0.152 9.469 ( 0.000 -0.034 -0.000) 0.034 9.568 ( 0.000 -0.269 -0.000) 0.269 11.842 ( 0.000 0.276 0.000) 0.276 11.953 ( 0.000 -0.316 -0.000) 0.316 13.582 ( 0.000 -0.273 -0.000) 0.273 13.668 ( 0.000 0.136 0.000) 0.136 13.762 ( 0.000 0.144 0.000) 0.144 13.861 ( 0.000 -0.340 -0.000) 0.340 14.533 ( 0.000 -0.326 -0.000) 0.326 14.849 ( 0.000 0.220 0.000) 0.220 ======================= Grid point 344 (118/124) ======================= q-point: ( 0.14 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 7.872 -0.564 -0.000) 7.892 0.784 ( 6.167 -9.352 -0.000) 11.203 1.118 ( -7.812 -8.143 -0.000) 11.285 1.274 ( 13.947 1.444 0.000) 14.022 1.506 ( 0.069 6.644 0.000) 6.644 1.636 ( 9.366 4.075 0.000) 10.214 1.887 ( 3.071 -1.079 -0.000) 3.255 2.216 ( 7.197 -2.358 -0.000) 7.573 2.403 ( -1.694 -0.592 -0.000) 1.794 2.447 ( -2.295 -3.599 -0.000) 4.268 2.605 ( -0.601 1.241 0.000) 1.379 2.680 ( -4.493 3.837 0.000) 5.908 2.841 ( 1.676 -1.544 -0.000) 2.279 2.900 ( 2.338 0.219 0.000) 2.349 2.977 ( 3.904 -0.637 -0.000) 3.956 3.183 ( -0.104 -2.216 -0.000) 2.219 3.260 ( -3.725 1.450 0.000) 3.997 3.506 ( -5.500 1.650 0.000) 5.742 4.282 ( 6.024 0.184 0.000) 6.026 4.932 ( -3.100 0.053 0.000) 3.101 5.347 ( 3.029 -0.282 -0.000) 3.042 5.609 ( -1.973 0.046 0.000) 1.973 6.002 ( 2.022 0.495 0.000) 2.082 6.244 ( -2.609 0.352 0.000) 2.632 6.425 ( -0.335 0.094 0.000) 0.348 6.490 ( -1.275 -0.035 -0.000) 1.275 6.788 ( 1.190 -0.173 -0.000) 1.202 6.798 ( 1.097 0.149 0.000) 1.107 7.261 ( -0.325 -1.137 -0.000) 1.183 7.400 ( -1.426 0.574 0.000) 1.537 8.069 ( -0.157 -0.306 -0.000) 0.344 8.088 ( -0.599 0.392 0.000) 0.716 8.372 ( 2.228 -0.002 -0.000) 2.228 8.492 ( 0.027 -0.041 -0.000) 0.049 8.992 ( 1.344 0.049 0.000) 1.345 9.099 ( 0.313 -0.243 -0.000) 0.396 9.226 ( 0.142 0.224 0.000) 0.265 9.267 ( -0.527 0.122 0.000) 0.541 9.446 ( -2.216 -0.049 -0.000) 2.217 9.550 ( -1.785 -0.261 -0.000) 1.804 11.843 ( 0.110 0.250 0.000) 0.273 11.943 ( -0.964 -0.309 -0.000) 1.012 13.566 ( -1.472 -0.257 -0.000) 1.495 13.627 ( -3.355 -0.302 -0.000) 3.369 13.792 ( 2.620 0.221 0.000) 2.629 13.895 ( 2.423 0.826 0.000) 2.560 14.530 ( -0.276 -0.203 -0.000) 0.343 14.804 ( -4.160 -0.323 -0.000) 4.173 ======================= Grid point 345 (119/124) ======================= q-point: ( 0.29 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 3.648 0.726 0.000) 3.719 0.900 ( -2.456 -7.770 -0.000) 8.149 1.058 ( 7.063 1.247 0.000) 7.172 1.447 ( -2.083 3.316 0.000) 3.916 1.643 ( 16.518 2.153 0.000) 16.658 1.811 ( 7.036 3.138 0.000) 7.704 1.958 ( 4.285 0.821 0.000) 4.363 2.362 ( 4.794 -4.267 -0.000) 6.417 2.366 ( -1.938 -1.499 -0.000) 2.450 2.400 ( -0.974 -4.938 -0.000) 5.033 2.548 ( -3.877 0.486 0.000) 3.908 2.649 ( 0.785 4.398 0.000) 4.468 2.867 ( 0.854 -1.559 -0.000) 1.777 2.943 ( 1.370 0.136 0.000) 1.377 3.050 ( 3.155 -1.316 -0.000) 3.418 3.177 ( -3.849 0.167 0.000) 3.852 3.186 ( 0.477 -1.029 -0.000) 1.134 3.387 ( -5.930 1.369 0.000) 6.086 4.428 ( 8.224 0.261 0.000) 8.228 4.851 ( -4.943 0.130 0.000) 4.945 5.413 ( 3.316 -0.455 -0.000) 3.348 5.562 ( -2.469 0.024 0.000) 2.469 6.048 ( 2.355 0.901 0.000) 2.521 6.184 ( -3.046 0.516 0.000) 3.089 6.419 ( -0.173 0.048 0.000) 0.180 6.460 ( -1.540 -0.036 -0.000) 1.540 6.815 ( 1.385 -0.105 -0.000) 1.389 6.821 ( 1.149 -0.070 -0.000) 1.151 7.260 ( 0.370 -0.805 -0.000) 0.886 7.363 ( -2.213 0.413 0.000) 2.251 8.066 ( -0.123 -0.335 -0.000) 0.357 8.077 ( -0.527 0.308 0.000) 0.610 8.423 ( 2.558 -0.004 -0.000) 2.558 8.491 ( -0.086 0.045 0.000) 0.097 9.035 ( 3.075 0.087 0.000) 3.076 9.113 ( 1.168 -0.156 -0.000) 1.179 9.213 ( -1.554 0.166 0.000) 1.562 9.263 ( -0.303 0.140 0.000) 0.334 9.393 ( -2.505 -0.133 -0.000) 2.508 9.501 ( -3.013 -0.236 -0.000) 3.022 11.848 ( 0.457 0.169 0.000) 0.487 11.918 ( -1.508 -0.250 -0.000) 1.528 13.532 ( -1.748 -0.219 -0.000) 1.762 13.560 ( -3.032 -0.349 -0.000) 3.052 13.850 ( 2.921 0.236 0.000) 2.931 13.930 ( 0.913 1.579 0.000) 1.824 14.529 ( 0.416 0.024 0.000) 0.417 14.706 ( -5.174 -0.603 -0.000) 5.209 ======================= Grid point 346 (120/124) ======================= q-point: ( 0.43 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 3.001 2.593 0.000) 3.966 0.837 ( -2.537 1.251 0.000) 2.829 1.226 ( 8.137 -0.651 -0.000) 8.163 1.365 ( -5.746 1.288 0.000) 5.889 1.872 ( 4.930 0.382 0.000) 4.945 1.896 ( 1.563 1.663 0.000) 2.282 2.103 ( 10.643 2.384 0.000) 10.907 2.291 ( -6.808 -0.304 -0.000) 6.814 2.363 ( 0.108 -1.147 -0.000) 1.152 2.389 ( -2.603 -2.275 -0.000) 3.457 2.573 ( 5.076 -4.676 -0.000) 6.902 2.650 ( -1.765 -1.540 -0.000) 2.342 2.889 ( 1.914 0.663 0.000) 2.025 2.936 ( -2.002 1.155 0.000) 2.311 3.096 ( 1.481 -1.314 -0.000) 1.980 3.121 ( -1.631 -0.219 -0.000) 1.646 3.216 ( 2.482 -0.273 -0.000) 2.497 3.284 ( -4.375 0.605 0.000) 4.416 4.591 ( 8.015 0.239 0.000) 8.019 4.737 ( -6.608 0.196 0.000) 6.611 5.471 ( 2.504 -0.422 -0.000) 2.540 5.516 ( -2.220 -0.149 -0.000) 2.224 6.091 ( 1.984 1.058 0.000) 2.248 6.131 ( -2.294 0.905 0.000) 2.466 6.420 ( 0.339 -0.007 -0.000) 0.339 6.434 ( -1.040 -0.029 -0.000) 1.040 6.836 ( 0.634 -0.159 -0.000) 0.654 6.838 ( 0.430 -0.173 -0.000) 0.463 7.279 ( 1.505 -0.338 -0.000) 1.542 7.317 ( -2.250 0.081 0.000) 2.251 8.065 ( 0.061 -0.191 -0.000) 0.201 8.068 ( -0.295 0.065 0.000) 0.302 8.465 ( 1.594 0.039 0.000) 1.595 8.486 ( -0.579 0.080 0.000) 0.585 9.110 ( 4.136 0.102 0.000) 4.137 9.147 ( 2.435 -0.036 -0.000) 2.436 9.173 ( -2.364 0.072 0.000) 2.365 9.219 ( -4.003 0.148 0.000) 4.006 9.384 ( 1.724 -0.199 -0.000) 1.736 9.438 ( -3.242 -0.207 -0.000) 3.249 11.862 ( 1.006 0.035 0.000) 1.007 11.887 ( -1.471 -0.122 -0.000) 1.476 13.507 ( -0.553 -0.194 -0.000) 0.586 13.515 ( -1.406 -0.234 -0.000) 1.426 13.900 ( 2.100 0.592 0.000) 2.182 13.930 ( -0.847 1.227 0.000) 1.491 14.553 ( 2.083 0.058 0.000) 2.084 14.613 ( -4.014 -0.248 -0.000) 4.022 ======================= Grid point 413 (121/124) ======================= q-point: ( 0.00 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.000 -0.000 -0.000) 0.000 0.848 ( 0.000 -0.000 -0.000) 0.000 1.065 ( 0.000 -0.000 -0.000) 0.000 1.350 ( 0.000 -0.000 -0.000) 0.000 1.441 ( 0.000 -0.000 -0.000) 0.000 1.488 ( 0.000 -0.000 -0.000) 0.000 1.865 ( 0.000 -0.000 -0.000) 0.000 2.130 ( 0.000 -0.000 -0.000) 0.000 2.423 ( 0.000 -0.000 -0.000) 0.000 2.499 ( 0.000 -0.000 -0.000) 0.000 2.583 ( 0.000 -0.000 -0.000) 0.000 2.737 ( 0.000 -0.000 -0.000) 0.000 2.827 ( 0.000 -0.000 -0.000) 0.000 2.872 ( 0.000 -0.000 -0.000) 0.000 2.926 ( 0.000 -0.000 -0.000) 0.000 3.201 ( 0.000 -0.000 -0.000) 0.000 3.285 ( 0.000 -0.000 -0.000) 0.000 3.558 ( 0.000 -0.000 -0.000) 0.000 4.216 ( 0.000 -0.000 -0.000) 0.000 4.964 ( 0.000 -0.000 -0.000) 0.000 5.314 ( 0.000 -0.000 -0.000) 0.000 5.630 ( 0.000 -0.000 -0.000) 0.000 5.979 ( 0.000 -0.000 -0.000) 0.000 6.270 ( 0.000 -0.000 -0.000) 0.000 6.428 ( 0.000 -0.000 -0.000) 0.000 6.504 ( 0.000 -0.000 -0.000) 0.000 6.777 ( 0.000 0.000 0.000) 0.000 6.783 ( 0.000 -0.000 -0.000) 0.000 7.273 ( 0.000 -0.000 -0.000) 0.000 7.411 ( 0.000 -0.000 -0.000) 0.000 8.072 ( 0.000 -0.000 -0.000) 0.000 8.093 ( 0.000 -0.000 -0.000) 0.000 8.348 ( 0.000 -0.000 -0.000) 0.000 8.492 ( 0.000 -0.000 -0.000) 0.000 8.979 ( 0.000 -0.000 -0.000) 0.000 9.099 ( 0.000 -0.000 -0.000) 0.000 9.222 ( 0.000 -0.000 -0.000) 0.000 9.273 ( 0.000 -0.000 -0.000) 0.000 9.469 ( 0.000 -0.000 -0.000) 0.000 9.570 ( 0.000 -0.000 -0.000) 0.000 11.841 ( 0.000 -0.000 -0.000) 0.000 11.955 ( 0.000 -0.000 -0.000) 0.000 13.584 ( 0.000 -0.000 -0.000) 0.000 13.668 ( 0.000 -0.000 -0.000) 0.000 13.761 ( 0.000 -0.000 -0.000) 0.000 13.863 ( 0.000 -0.000 -0.000) 0.000 14.535 ( 0.000 -0.000 -0.000) 0.000 14.848 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 415 (122/124) ======================= q-point: ( 0.14 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 7.683 -0.000 -0.000) 7.683 0.842 ( 5.456 0.000 0.000) 5.456 1.169 ( -11.795 -0.000 -0.000) 11.795 1.263 ( 16.461 0.000 0.000) 16.461 1.461 ( -0.940 -0.000 -0.000) 0.940 1.616 ( 9.881 -0.000 -0.000) 9.881 1.893 ( 2.504 -0.000 -0.000) 2.504 2.233 ( 8.796 -0.000 -0.000) 8.796 2.406 ( -1.510 -0.000 -0.000) 1.510 2.472 ( -2.371 -0.000 -0.000) 2.371 2.587 ( 0.582 -0.000 -0.000) 0.582 2.662 ( -5.910 -0.000 -0.000) 5.910 2.851 ( 1.823 -0.000 -0.000) 1.823 2.899 ( 2.315 0.000 0.000) 2.315 2.981 ( 4.169 -0.000 -0.000) 4.169 3.198 ( -0.243 -0.000 -0.000) 0.243 3.250 ( -3.319 0.000 0.000) 3.319 3.496 ( -5.466 0.000 0.000) 5.466 4.281 ( 5.986 0.000 0.000) 5.986 4.931 ( -3.111 -0.000 -0.000) 3.111 5.348 ( 3.063 -0.000 -0.000) 3.063 5.608 ( -1.973 -0.000 -0.000) 1.973 5.999 ( 1.890 -0.000 -0.000) 1.890 6.242 ( -2.585 -0.000 -0.000) 2.585 6.424 ( -0.324 -0.000 -0.000) 0.324 6.490 ( -1.266 0.000 0.000) 1.266 6.789 ( 1.124 0.000 0.000) 1.124 6.797 ( 1.182 -0.000 -0.000) 1.182 7.268 ( -0.371 0.000 0.000) 0.371 7.396 ( -1.406 -0.000 -0.000) 1.406 8.071 ( -0.116 0.000 0.000) 0.116 8.086 ( -0.609 -0.000 -0.000) 0.609 8.372 ( 2.227 0.000 0.000) 2.227 8.492 ( 0.004 -0.000 -0.000) 0.004 8.992 ( 1.335 -0.000 -0.000) 1.335 9.101 ( 0.304 0.000 0.000) 0.304 9.225 ( 0.140 -0.000 -0.000) 0.140 9.266 ( -0.512 -0.000 -0.000) 0.512 9.446 ( -2.205 -0.000 -0.000) 2.205 9.552 ( -1.790 -0.000 -0.000) 1.790 11.842 ( 0.125 -0.000 -0.000) 0.125 11.945 ( -0.971 -0.000 -0.000) 0.971 13.568 ( -1.482 -0.000 -0.000) 1.482 13.628 ( -3.258 -0.000 -0.000) 3.258 13.790 ( 2.614 -0.000 -0.000) 2.614 13.890 ( 2.016 0.000 0.000) 2.016 14.531 ( -0.341 -0.000 -0.000) 0.341 14.805 ( -3.967 -0.000 -0.000) 3.967 ======================= Grid point 417 (123/124) ======================= q-point: ( 0.29 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 2.914 -0.000 -0.000) 2.914 0.955 ( -8.906 -0.000 -0.000) 8.906 1.044 ( 10.928 -0.000 -0.000) 10.928 1.429 ( -2.449 -0.000 -0.000) 2.449 1.628 ( 18.183 -0.000 -0.000) 18.183 1.793 ( 7.177 0.000 0.000) 7.177 1.953 ( 3.676 -0.000 -0.000) 3.676 2.376 ( -1.230 0.000 0.000) 1.230 2.381 ( 0.621 -0.000 -0.000) 0.621 2.444 ( 2.743 0.000 0.000) 2.743 2.545 ( -4.094 -0.000 -0.000) 4.094 2.612 ( 1.963 -0.000 -0.000) 1.963 2.879 ( 0.722 -0.000 -0.000) 0.722 2.941 ( 1.237 0.000 0.000) 1.237 3.059 ( 3.299 -0.000 -0.000) 3.299 3.172 ( -3.888 0.000 0.000) 3.888 3.196 ( 0.282 -0.000 -0.000) 0.282 3.378 ( -5.773 -0.000 -0.000) 5.773 4.426 ( 8.218 0.000 0.000) 8.218 4.850 ( -4.968 -0.000 -0.000) 4.968 5.416 ( 3.357 -0.000 -0.000) 3.357 5.562 ( -2.449 -0.000 -0.000) 2.449 6.043 ( 2.264 -0.000 -0.000) 2.264 6.181 ( -3.153 -0.000 -0.000) 3.153 6.419 ( -0.156 -0.000 -0.000) 0.156 6.461 ( -1.543 0.000 0.000) 1.543 6.816 ( 1.389 -0.000 -0.000) 1.389 6.822 ( 1.202 -0.000 -0.000) 1.202 7.265 ( 0.233 0.000 0.000) 0.233 7.360 ( -2.133 -0.000 -0.000) 2.133 8.068 ( -0.128 0.000 0.000) 0.128 8.074 ( -0.485 -0.000 -0.000) 0.485 8.423 ( 2.554 0.000 0.000) 2.554 8.491 ( -0.108 -0.000 -0.000) 0.108 9.035 ( 3.064 -0.000 -0.000) 3.064 9.114 ( 1.135 0.000 0.000) 1.135 9.212 ( -1.521 -0.000 -0.000) 1.521 9.262 ( -0.329 -0.000 -0.000) 0.329 9.393 ( -2.467 -0.000 -0.000) 2.467 9.503 ( -3.022 -0.000 -0.000) 3.022 11.847 ( 0.489 -0.000 -0.000) 0.489 11.919 ( -1.535 -0.000 -0.000) 1.535 13.533 ( -1.760 -0.000 -0.000) 1.760 13.562 ( -3.060 -0.000 -0.000) 3.060 13.848 ( 2.886 -0.000 -0.000) 2.886 13.921 ( 0.873 0.000 0.000) 0.873 14.529 ( 0.362 -0.000 -0.000) 0.362 14.710 ( -5.209 -0.000 -0.000) 5.209 ======================= Grid point 419 (124/124) ======================= q-point: ( 0.43 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 9.55e-07 9.55e-07 2.11e-04 2.11e-04 2.11e-04 2.11e-04 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 2.823 -0.000 -0.000) 2.823 0.831 ( -3.983 0.000 0.000) 3.983 1.231 ( 7.913 -0.000 -0.000) 7.913 1.357 ( -4.917 -0.000 -0.000) 4.917 1.871 ( 4.701 -0.000 -0.000) 4.701 1.885 ( 2.116 0.000 0.000) 2.116 2.089 ( 10.906 -0.000 -0.000) 10.906 2.293 ( -8.044 0.000 0.000) 8.044 2.367 ( 0.454 -0.000 -0.000) 0.454 2.401 ( -3.355 0.000 0.000) 3.355 2.615 ( 5.003 0.000 0.000) 5.003 2.650 ( 1.052 0.000 0.000) 1.052 2.887 ( 0.787 -0.000 -0.000) 0.787 2.926 ( -2.445 0.000 0.000) 2.445 3.104 ( 1.266 -0.000 -0.000) 1.266 3.121 ( -1.139 0.000 0.000) 1.139 3.218 ( 2.116 -0.000 -0.000) 2.116 3.280 ( -4.084 -0.000 -0.000) 4.084 4.590 ( 8.028 -0.000 -0.000) 8.028 4.736 ( -6.622 -0.000 -0.000) 6.622 5.473 ( 2.446 -0.000 -0.000) 2.446 5.517 ( -2.139 -0.000 -0.000) 2.139 6.084 ( 1.978 -0.000 -0.000) 1.978 6.126 ( -2.383 -0.000 -0.000) 2.383 6.421 ( 0.351 -0.000 -0.000) 0.351 6.434 ( -1.042 -0.000 -0.000) 1.042 6.837 ( 0.650 -0.000 -0.000) 0.650 6.839 ( 0.441 -0.000 -0.000) 0.441 7.281 ( 1.364 0.000 0.000) 1.364 7.317 ( -2.130 -0.000 -0.000) 2.130 8.066 ( -0.038 0.000 0.000) 0.038 8.068 ( -0.178 -0.000 -0.000) 0.178 8.465 ( 1.577 0.000 0.000) 1.577 8.485 ( -0.576 -0.000 -0.000) 0.576 9.110 ( 4.147 -0.000 -0.000) 4.147 9.148 ( 2.391 0.000 0.000) 2.391 9.173 ( -2.351 -0.000 -0.000) 2.351 9.218 ( -3.975 -0.000 -0.000) 3.975 9.385 ( 1.724 -0.000 -0.000) 1.724 9.439 ( -3.249 -0.000 -0.000) 3.249 11.862 ( 1.051 -0.000 -0.000) 1.051 11.888 ( -1.515 -0.000 -0.000) 1.515 13.508 ( -0.554 -0.000 -0.000) 0.554 13.516 ( -1.431 -0.000 -0.000) 1.431 13.897 ( 1.933 -0.000 -0.000) 1.933 13.923 ( -0.666 0.000 0.000) 0.666 14.552 ( 2.123 -0.000 -0.000) 2.123 14.615 ( -4.134 -0.000 -0.000) 4.134 =================== 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 3/33600 10.0 26.068 103.400 56.258 0.000 -0.000 -0.000 3/33600 20.0 5.893 11.290 21.716 0.000 -0.000 -0.000 3/33600 30.0 3.369 4.406 12.740 0.000 0.000 -0.000 3/33600 40.0 2.497 2.645 9.185 0.000 0.000 -0.000 3/33600 50.0 2.042 1.901 7.294 0.000 0.000 -0.000 3/33600 60.0 1.747 1.492 6.086 0.000 0.000 -0.000 3/33600 70.0 1.532 1.233 5.228 0.000 0.000 -0.000 3/33600 80.0 1.366 1.053 4.582 0.000 0.000 -0.000 3/33600 90.0 1.233 0.920 4.076 0.000 0.000 -0.000 3/33600 100.0 1.124 0.818 3.669 0.000 0.000 -0.000 3/33600 110.0 1.032 0.736 3.335 0.000 0.000 -0.000 3/33600 120.0 0.955 0.670 3.057 0.000 0.000 -0.000 3/33600 130.0 0.889 0.615 2.821 0.000 0.000 -0.000 3/33600 140.0 0.831 0.569 2.618 0.000 0.000 -0.000 3/33600 150.0 0.781 0.529 2.443 0.000 0.000 -0.000 3/33600 160.0 0.737 0.494 2.290 0.000 0.000 -0.000 3/33600 170.0 0.698 0.464 2.155 0.000 0.000 -0.000 3/33600 180.0 0.662 0.438 2.035 0.000 0.000 -0.000 3/33600 190.0 0.630 0.414 1.927 0.000 0.000 -0.000 3/33600 200.0 0.602 0.393 1.831 0.000 0.000 -0.000 3/33600 210.0 0.576 0.374 1.744 0.000 0.000 -0.000 3/33600 220.0 0.552 0.357 1.664 0.000 0.000 -0.000 3/33600 230.0 0.530 0.341 1.592 0.000 0.000 -0.000 3/33600 240.0 0.509 0.327 1.526 0.000 0.000 -0.000 3/33600 250.0 0.491 0.314 1.465 0.000 0.000 -0.000 3/33600 260.0 0.473 0.301 1.409 0.000 0.000 -0.000 3/33600 270.0 0.457 0.290 1.357 0.000 0.000 -0.000 3/33600 280.0 0.442 0.280 1.308 0.000 0.000 -0.000 3/33600 290.0 0.428 0.270 1.263 0.000 0.000 -0.000 3/33600 300.0 0.415 0.261 1.221 0.000 0.000 -0.000 3/33600 310.0 0.402 0.253 1.182 0.000 0.000 -0.000 3/33600 320.0 0.391 0.245 1.145 0.000 0.000 -0.000 3/33600 330.0 0.380 0.237 1.111 0.000 0.000 -0.000 3/33600 340.0 0.369 0.230 1.078 0.000 0.000 -0.000 3/33600 350.0 0.359 0.224 1.048 0.000 0.000 -0.000 3/33600 360.0 0.350 0.218 1.019 0.000 0.000 -0.000 3/33600 370.0 0.341 0.212 0.991 0.000 0.000 -0.000 3/33600 380.0 0.333 0.206 0.965 0.000 0.000 -0.000 3/33600 390.0 0.325 0.201 0.941 0.000 0.000 -0.000 3/33600 400.0 0.317 0.196 0.917 0.000 0.000 -0.000 3/33600 410.0 0.310 0.191 0.895 0.000 0.000 -0.000 3/33600 420.0 0.303 0.187 0.874 0.000 0.000 -0.000 3/33600 430.0 0.296 0.182 0.854 0.000 0.000 -0.000 3/33600 440.0 0.290 0.178 0.834 0.000 0.000 -0.000 3/33600 450.0 0.284 0.174 0.816 0.000 0.000 -0.000 3/33600 460.0 0.278 0.171 0.798 0.000 0.000 -0.000 3/33600 470.0 0.272 0.167 0.781 0.000 0.000 -0.000 3/33600 480.0 0.267 0.164 0.765 0.000 0.000 -0.000 3/33600 490.0 0.262 0.160 0.750 0.000 0.000 -0.000 3/33600 500.0 0.257 0.157 0.735 0.000 0.000 -0.000 3/33600 510.0 0.252 0.154 0.720 0.000 0.000 -0.000 3/33600 520.0 0.248 0.151 0.707 0.000 0.000 -0.000 3/33600 530.0 0.243 0.148 0.693 0.000 0.000 -0.000 3/33600 540.0 0.239 0.145 0.681 0.000 0.000 -0.000 3/33600 550.0 0.235 0.143 0.668 0.000 0.000 -0.000 3/33600 560.0 0.231 0.140 0.656 0.000 0.000 -0.000 3/33600 570.0 0.227 0.138 0.645 0.000 0.000 -0.000 3/33600 580.0 0.223 0.135 0.634 0.000 0.000 -0.000 3/33600 590.0 0.219 0.133 0.623 0.000 0.000 -0.000 3/33600 600.0 0.216 0.131 0.613 0.000 0.000 -0.000 3/33600 610.0 0.213 0.129 0.603 0.000 0.000 -0.000 3/33600 620.0 0.209 0.127 0.593 0.000 0.000 -0.000 3/33600 630.0 0.206 0.125 0.584 0.000 0.000 -0.000 3/33600 640.0 0.203 0.123 0.575 0.000 0.000 -0.000 3/33600 650.0 0.200 0.121 0.566 0.000 0.000 -0.000 3/33600 660.0 0.197 0.119 0.557 0.000 0.000 -0.000 3/33600 670.0 0.194 0.117 0.549 0.000 0.000 -0.000 3/33600 680.0 0.192 0.116 0.541 0.000 0.000 -0.000 3/33600 690.0 0.189 0.114 0.533 0.000 0.000 -0.000 3/33600 700.0 0.186 0.112 0.526 0.000 0.000 -0.000 3/33600 710.0 0.184 0.111 0.518 0.000 0.000 -0.000 3/33600 720.0 0.181 0.109 0.511 0.000 0.000 -0.000 3/33600 730.0 0.179 0.108 0.504 0.000 0.000 -0.000 3/33600 740.0 0.177 0.106 0.497 0.000 0.000 -0.000 3/33600 750.0 0.174 0.105 0.491 0.000 0.000 -0.000 3/33600 760.0 0.172 0.104 0.484 0.000 0.000 -0.000 3/33600 770.0 0.170 0.102 0.478 0.000 0.000 -0.000 3/33600 780.0 0.168 0.101 0.472 0.000 0.000 -0.000 3/33600 790.0 0.166 0.100 0.466 0.000 0.000 -0.000 3/33600 800.0 0.164 0.098 0.460 0.000 0.000 -0.000 3/33600 810.0 0.162 0.097 0.455 0.000 0.000 -0.000 3/33600 820.0 0.160 0.096 0.449 0.000 0.000 -0.000 3/33600 830.0 0.158 0.095 0.444 0.000 0.000 -0.000 3/33600 840.0 0.156 0.094 0.438 0.000 0.000 -0.000 3/33600 850.0 0.154 0.093 0.433 0.000 0.000 -0.000 3/33600 860.0 0.153 0.092 0.428 0.000 0.000 -0.000 3/33600 870.0 0.151 0.091 0.423 0.000 0.000 -0.000 3/33600 880.0 0.149 0.090 0.419 0.000 0.000 -0.000 3/33600 890.0 0.148 0.089 0.414 0.000 0.000 -0.000 3/33600 900.0 0.146 0.088 0.409 0.000 0.000 -0.000 3/33600 910.0 0.145 0.087 0.405 0.000 0.000 -0.000 3/33600 920.0 0.143 0.086 0.400 0.000 0.000 -0.000 3/33600 930.0 0.142 0.085 0.396 0.000 0.000 -0.000 3/33600 940.0 0.140 0.084 0.392 0.000 0.000 -0.000 3/33600 950.0 0.139 0.083 0.388 0.000 0.000 -0.000 3/33600 960.0 0.137 0.082 0.384 0.000 0.000 -0.000 3/33600 970.0 0.136 0.081 0.380 0.000 0.000 -0.000 3/33600 980.0 0.135 0.080 0.376 0.000 0.000 -0.000 3/33600 990.0 0.133 0.080 0.372 0.000 0.000 -0.000 3/33600 1000.0 0.132 0.079 0.369 0.000 0.000 -0.000 3/33600 Thermal conductivity related properties were written into "kappa-m71010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:36:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|