# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/1aed501e-d054-4f8e-a0fd-db29acd61907/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for RbAuBr4 / P2_1/c (14) / materials id 30996](https://mdr.nims.go.jp/datasets/8d8c8935-384d-40e0-bd41-c350d4a7dec7) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 08:50:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 48------------------------------ primitive cell ------------------------------Lattice vectors: a 7.416301805749599 0.000000000000000 0.000000000000000 b 0.000000000000000 6.158005390000000 0.000000000000000 c -5.632548201047637 0.000000000000000 8.743649955231557Atomic positions (fractional): *1 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 2 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 *3 Rb 0.50000000000000 0.50000000000000 0.00000000000000 85.468 4 Rb 0.50000000000000 0.00000000000000 0.50000000000000 85.468 *5 Br 0.38721418495343 0.01428828077291 0.12098374131895 79.904 6 Br 0.61278581504657 0.51428828077291 0.37901625868105 79.904 7 Br 0.61278581504657 0.98571171922709 0.87901625868105 79.904 8 Br 0.38721418495343 0.48571171922709 0.62098374131895 79.904 *9 Br 0.04357587085352 0.70926536095461 0.17509812818104 79.904 10 Br 0.95642412914648 0.20926536095461 0.32490187181896 79.904 11 Br 0.95642412914648 0.29073463904539 0.82490187181896 79.904 12 Br 0.04357587085352 0.79073463904539 0.67509812818104 79.904-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.416301805749599 0.000000000000000 0.000000000000000 b 0.000000000000000 6.158005390000000 0.000000000000000 c -5.632548201047637 0.000000000000000 8.743649955231557Atomic positions (fractional): *1 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 > 1 2 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 > 2 *3 Rb 0.50000000000000 0.50000000000000 0.00000000000000 85.468 > 3 4 Rb 0.50000000000000 0.00000000000000 0.50000000000000 85.468 > 4 *5 Br 0.38721418495343 0.01428828077291 0.12098374131895 79.904 > 5 6 Br 0.61278581504657 0.51428828077291 0.37901625868105 79.904 > 6 7 Br 0.61278581504657 0.98571171922709 0.87901625868105 79.904 > 7 8 Br 0.38721418495343 0.48571171922709 0.62098374131895 79.904 > 8 *9 Br 0.04357587085352 0.70926536095461 0.17509812818104 79.904 > 9 10 Br 0.95642412914648 0.20926536095461 0.32490187181896 79.904 > 10 11 Br 0.95642412914648 0.29073463904539 0.82490187181896 79.904 > 11 12 Br 0.04357587085352 0.79073463904539 0.67509812818104 79.904 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 14.832603611499199 0.000000000000000 0.000000000000000 b 0.000000000000000 18.474016169999999 0.000000000000000 c -11.265096402095274 0.000000000000000 17.487299910463115Atomic positions (fractional): *1 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 > 1 2 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 > 1 3 Au 0.00000000000000 0.33333333333333 0.00000000000000 196.967 > 1 4 Au 0.50000000000000 0.33333333333333 0.00000000000000 196.967 > 1 5 Au 0.00000000000000 0.66666666666667 0.00000000000000 196.967 > 1 6 Au 0.50000000000000 0.66666666666667 0.00000000000000 196.967 > 1 7 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 1 8 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 1 9 Au 0.00000000000000 0.33333333333333 0.50000000000000 196.967 > 1 10 Au 0.50000000000000 0.33333333333333 0.50000000000000 196.967 > 1 11 Au 0.00000000000000 0.66666666666667 0.50000000000000 196.967 > 1 12 Au 0.50000000000000 0.66666666666667 0.50000000000000 196.967 > 1 13 Au 0.00000000000000 0.16666666666667 0.25000000000000 196.967 > 2 14 Au 0.50000000000000 0.16666666666667 0.25000000000000 196.967 > 2 15 Au 0.00000000000000 0.50000000000000 0.25000000000000 196.967 > 2 16 Au 0.50000000000000 0.50000000000000 0.25000000000000 196.967 > 2 17 Au 0.00000000000000 0.83333333333333 0.25000000000000 196.967 > 2 18 Au 0.50000000000000 0.83333333333333 0.25000000000000 196.967 > 2 19 Au 0.00000000000000 0.16666666666667 0.75000000000000 196.967 > 2 20 Au 0.50000000000000 0.16666666666667 0.75000000000000 196.967 > 2 21 Au 0.00000000000000 0.50000000000000 0.75000000000000 196.967 > 2 22 Au 0.50000000000000 0.50000000000000 0.75000000000000 196.967 > 2 23 Au 0.00000000000000 0.83333333333333 0.75000000000000 196.967 > 2 24 Au 0.50000000000000 0.83333333333333 0.75000000000000 196.967 > 2 *25 Rb 0.25000000000000 0.16666666666667 0.00000000000000 85.468 > 3 26 Rb 0.75000000000000 0.16666666666667 0.00000000000000 85.468 > 3 27 Rb 0.25000000000000 0.50000000000000 0.00000000000000 85.468 > 3 28 Rb 0.75000000000000 0.50000000000000 0.00000000000000 85.468 > 3 29 Rb 0.25000000000000 0.83333333333333 0.00000000000000 85.468 > 3 30 Rb 0.75000000000000 0.83333333333333 0.00000000000000 85.468 > 3 31 Rb 0.25000000000000 0.16666666666667 0.50000000000000 85.468 > 3 32 Rb 0.75000000000000 0.16666666666667 0.50000000000000 85.468 > 3 33 Rb 0.25000000000000 0.50000000000000 0.50000000000000 85.468 > 3 34 Rb 0.75000000000000 0.50000000000000 0.50000000000000 85.468 > 3 35 Rb 0.25000000000000 0.83333333333333 0.50000000000000 85.468 > 3 36 Rb 0.75000000000000 0.83333333333333 0.50000000000000 85.468 > 3 37 Rb 0.25000000000000 0.00000000000000 0.25000000000000 85.468 > 4 38 Rb 0.75000000000000 0.00000000000000 0.25000000000000 85.468 > 4 39 Rb 0.25000000000000 0.33333333333333 0.25000000000000 85.468 > 4 40 Rb 0.75000000000000 0.33333333333333 0.25000000000000 85.468 > 4 41 Rb 0.25000000000000 0.66666666666667 0.25000000000000 85.468 > 4 42 Rb 0.75000000000000 0.66666666666667 0.25000000000000 85.468 > 4 43 Rb 0.25000000000000 0.00000000000000 0.75000000000000 85.468 > 4 44 Rb 0.75000000000000 0.00000000000000 0.75000000000000 85.468 > 4 45 Rb 0.25000000000000 0.33333333333333 0.75000000000000 85.468 > 4 46 Rb 0.75000000000000 0.33333333333333 0.75000000000000 85.468 > 4 47 Rb 0.25000000000000 0.66666666666667 0.75000000000000 85.468 > 4 48 Rb 0.75000000000000 0.66666666666667 0.75000000000000 85.468 > 4 *49 Br 0.19360709247672 0.00476276025764 0.06049187065947 79.904 > 5 50 Br 0.69360709247672 0.00476276025764 0.06049187065947 79.904 > 5 51 Br 0.19360709247672 0.33809609359097 0.06049187065947 79.904 > 5 52 Br 0.69360709247672 0.33809609359097 0.06049187065947 79.904 > 5 53 Br 0.19360709247672 0.67142942692430 0.06049187065947 79.904 > 5 54 Br 0.69360709247672 0.67142942692430 0.06049187065947 79.904 > 5 55 Br 0.19360709247672 0.00476276025764 0.56049187065947 79.904 > 5 56 Br 0.69360709247672 0.00476276025764 0.56049187065947 79.904 > 5 57 Br 0.19360709247672 0.33809609359097 0.56049187065947 79.904 > 5 58 Br 0.69360709247672 0.33809609359097 0.56049187065947 79.904 > 5 59 Br 0.19360709247672 0.67142942692430 0.56049187065947 79.904 > 5 60 Br 0.69360709247672 0.67142942692430 0.56049187065947 79.904 > 5 61 Br 0.30639290752328 0.17142942692430 0.18950812934053 79.904 > 6 62 Br 0.80639290752328 0.17142942692430 0.18950812934053 79.904 > 6 63 Br 0.30639290752328 0.50476276025764 0.18950812934053 79.904 > 6 64 Br 0.80639290752328 0.50476276025764 0.18950812934053 79.904 > 6 65 Br 0.30639290752328 0.83809609359097 0.18950812934053 79.904 > 6 66 Br 0.80639290752328 0.83809609359097 0.18950812934053 79.904 > 6 67 Br 0.30639290752328 0.17142942692430 0.68950812934053 79.904 > 6 68 Br 0.80639290752328 0.17142942692430 0.68950812934053 79.904 > 6 69 Br 0.30639290752328 0.50476276025764 0.68950812934053 79.904 > 6 70 Br 0.80639290752328 0.50476276025764 0.68950812934053 79.904 > 6 71 Br 0.30639290752328 0.83809609359097 0.68950812934053 79.904 > 6 72 Br 0.80639290752328 0.83809609359097 0.68950812934053 79.904 > 6 73 Br 0.30639290752328 0.32857057307570 0.43950812934053 79.904 > 7 74 Br 0.80639290752328 0.32857057307570 0.43950812934053 79.904 > 7 75 Br 0.30639290752328 0.66190390640903 0.43950812934053 79.904 > 7 76 Br 0.80639290752328 0.66190390640903 0.43950812934053 79.904 > 7 77 Br 0.30639290752328 0.99523723974236 0.43950812934053 79.904 > 7 78 Br 0.80639290752328 0.99523723974236 0.43950812934053 79.904 > 7 79 Br 0.30639290752328 0.32857057307570 0.93950812934053 79.904 > 7 80 Br 0.80639290752328 0.32857057307570 0.93950812934053 79.904 > 7 81 Br 0.30639290752328 0.66190390640903 0.93950812934053 79.904 > 7 82 Br 0.80639290752328 0.66190390640903 0.93950812934053 79.904 > 7 83 Br 0.30639290752328 0.99523723974236 0.93950812934053 79.904 > 7 84 Br 0.80639290752328 0.99523723974236 0.93950812934053 79.904 > 7 85 Br 0.19360709247672 0.16190390640903 0.31049187065947 79.904 > 8 86 Br 0.69360709247672 0.16190390640903 0.31049187065947 79.904 > 8 87 Br 0.19360709247672 0.49523723974236 0.31049187065947 79.904 > 8 88 Br 0.69360709247672 0.49523723974236 0.31049187065947 79.904 > 8 89 Br 0.19360709247672 0.82857057307570 0.31049187065947 79.904 > 8 90 Br 0.69360709247672 0.82857057307570 0.31049187065947 79.904 > 8 91 Br 0.19360709247672 0.16190390640903 0.81049187065947 79.904 > 8 92 Br 0.69360709247672 0.16190390640903 0.81049187065947 79.904 > 8 93 Br 0.19360709247672 0.49523723974236 0.81049187065947 79.904 > 8 94 Br 0.69360709247672 0.49523723974236 0.81049187065947 79.904 > 8 95 Br 0.19360709247672 0.82857057307570 0.81049187065947 79.904 > 8 96 Br 0.69360709247672 0.82857057307570 0.81049187065947 79.904 > 8 *97 Br 0.02178793542676 0.23642178698487 0.08754906409052 79.904 > 9 98 Br 0.52178793542676 0.23642178698487 0.08754906409052 79.904 > 9 99 Br 0.02178793542676 0.56975512031820 0.08754906409052 79.904 > 9 100 Br 0.52178793542676 0.56975512031820 0.08754906409052 79.904 > 9 101 Br 0.02178793542676 0.90308845365154 0.08754906409052 79.904 > 9 102 Br 0.52178793542676 0.90308845365154 0.08754906409052 79.904 > 9 103 Br 0.02178793542676 0.23642178698487 0.58754906409052 79.904 > 9 104 Br 0.52178793542676 0.23642178698487 0.58754906409052 79.904 > 9 105 Br 0.02178793542676 0.56975512031820 0.58754906409052 79.904 > 9 106 Br 0.52178793542676 0.56975512031820 0.58754906409052 79.904 > 9 107 Br 0.02178793542676 0.90308845365154 0.58754906409052 79.904 > 9 108 Br 0.52178793542676 0.90308845365154 0.58754906409052 79.904 > 9 109 Br 0.47821206457324 0.06975512031820 0.16245093590948 79.904 > 10 110 Br 0.97821206457324 0.06975512031820 0.16245093590948 79.904 > 10 111 Br 0.47821206457324 0.40308845365154 0.16245093590948 79.904 > 10 112 Br 0.97821206457324 0.40308845365154 0.16245093590948 79.904 > 10 113 Br 0.47821206457324 0.73642178698487 0.16245093590948 79.904 > 10 114 Br 0.97821206457324 0.73642178698487 0.16245093590948 79.904 > 10 115 Br 0.47821206457324 0.06975512031820 0.66245093590948 79.904 > 10 116 Br 0.97821206457324 0.06975512031820 0.66245093590948 79.904 > 10 117 Br 0.47821206457324 0.40308845365154 0.66245093590948 79.904 > 10 118 Br 0.97821206457324 0.40308845365154 0.66245093590948 79.904 > 10 119 Br 0.47821206457324 0.73642178698487 0.66245093590948 79.904 > 10 120 Br 0.97821206457324 0.73642178698487 0.66245093590948 79.904 > 10 121 Br 0.47821206457324 0.09691154634846 0.41245093590948 79.904 > 11 122 Br 0.97821206457324 0.09691154634846 0.41245093590948 79.904 > 11 123 Br 0.47821206457324 0.43024487968180 0.41245093590948 79.904 > 11 124 Br 0.97821206457324 0.43024487968180 0.41245093590948 79.904 > 11 125 Br 0.47821206457324 0.76357821301513 0.41245093590948 79.904 > 11 126 Br 0.97821206457324 0.76357821301513 0.41245093590948 79.904 > 11 127 Br 0.47821206457324 0.09691154634846 0.91245093590948 79.904 > 11 128 Br 0.97821206457324 0.09691154634846 0.91245093590948 79.904 > 11 129 Br 0.47821206457324 0.43024487968180 0.91245093590948 79.904 > 11 130 Br 0.97821206457324 0.43024487968180 0.91245093590948 79.904 > 11 131 Br 0.47821206457324 0.76357821301513 0.91245093590948 79.904 > 11 132 Br 0.97821206457324 0.76357821301513 0.91245093590948 79.904 > 11 133 Br 0.02178793542676 0.26357821301513 0.33754906409052 79.904 > 12 134 Br 0.52178793542676 0.26357821301513 0.33754906409052 79.904 > 12 135 Br 0.02178793542676 0.59691154634846 0.33754906409052 79.904 > 12 136 Br 0.52178793542676 0.59691154634846 0.33754906409052 79.904 > 12 137 Br 0.02178793542676 0.93024487968180 0.33754906409052 79.904 > 12 138 Br 0.52178793542676 0.93024487968180 0.33754906409052 79.904 > 12 139 Br 0.02178793542676 0.26357821301513 0.83754906409052 79.904 > 12 140 Br 0.52178793542676 0.26357821301513 0.83754906409052 79.904 > 12 141 Br 0.02178793542676 0.59691154634846 0.83754906409052 79.904 > 12 142 Br 0.52178793542676 0.59691154634846 0.83754906409052 79.904 > 12 143 Br 0.02178793542676 0.93024487968180 0.83754906409052 79.904 > 12 144 Br 0.52178793542676 0.93024487968180 0.83754906409052 79.904 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.9823012 0.0000000 0.3904465 0.0000000 4.0680645 0.0000000 0.3904470 0.0000000 4.4166441-------------------------- Born effective charges -------------------------- 1 Au 1.2572592 0.2289172 0.3109468 0.1926150 0.6729067 -0.3652745 0.1987649 -0.8341365 1.1361325 2 Au 1.2572592 -0.2289172 0.3109468 -0.1926150 0.6729067 0.3652745 0.1987649 0.8341365 1.1361325 3 Rb 1.3002473 0.1123940 0.0241845 0.2310399 1.2934072 0.1471324 0.0197360 -0.0886002 1.3525106 4 Rb 1.3002473 -0.1123940 0.0241845 -0.2310399 1.2934072 -0.1471324 0.0197360 0.0886002 1.3525106 5 Br -0.9268572 0.1212433 -0.3280779 0.0750311 -0.2020003 -0.1042971 -0.2872971 -0.0573299 -0.3931601 6 Br -0.9268572 -0.1212433 -0.3280779 -0.0750311 -0.2020003 0.1042971 -0.2872971 0.0573299 -0.3931601 7 Br -0.9268572 0.1212433 -0.3280779 0.0750311 -0.2020003 -0.1042971 -0.2872971 -0.0573299 -0.3931601 8 Br -0.9268572 -0.1212433 -0.3280779 -0.0750311 -0.2020003 0.1042971 -0.2872971 0.0573299 -0.3931601 9 Br -0.3518961 0.1141274 0.1605123 0.1180869 -0.7811566 0.1962360 0.1780467 0.1913561 -0.8511615 10 Br -0.3518961 -0.1141274 0.1605123 -0.1180869 -0.7811566 -0.1962360 0.1780467 -0.1913561 -0.8511615 11 Br -0.3518961 0.1141274 0.1605123 0.1180869 -0.7811566 0.1962360 0.1780467 0.1913561 -0.8511615 12 Br -0.3518961 -0.1141274 0.1605123 -0.1180869 -0.7811566 -0.1962360 0.1780467 -0.1913561 -0.8511615----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 432/432Permutation basis: 8352/8352Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2052Number of blocks in projector: 2052Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 436Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 436Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 436Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 248Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 248Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 248Use standard eigh solver.Tree of FC basis block matrices:- (2052, 2017), data: False|-- (248, 244), data: True|-- (248, 244), data: True|-- (248, 244), data: True|-- (436, 429), data: True|-- (436, 428), data: True|-- (436, 428), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.006Solver_block: 100 / 400 - Time: 0.925Solver_block: 200 / 400 - Time: 0.948Solver_block: 300 / 400 - Time: 0.929Solver_block: 400 / 400 - Time: 0.973Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.870--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432Permutation basis: 8352/8352Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2052Number of blocks in projector: 2052Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 436Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 436Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 436Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 248Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 248Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 248Use standard eigh solver.Tree of FC basis block matrices:- (2052, 2017), data: False|-- (248, 244), data: True|-- (248, 244), data: True|-- (248, 244), data: True|-- (436, 429), data: True|-- (436, 428), data: True|-- (436, 428), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 08:50:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 08:50:30]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.416301805749599 0.000000000000000 0.000000000000000 b 0.000000000000000 6.158005390000000 0.000000000000000 c -5.632548201047637 0.000000000000000 8.743649955231557Atomic positions (fractional): 1 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 2 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 3 Rb 0.50000000000000 0.50000000000000 0.00000000000000 85.468 4 Rb 0.50000000000000 0.00000000000000 0.50000000000000 85.468 5 Br 0.38721418495343 0.01428828077291 0.12098374131895 79.904 6 Br 0.61278581504657 0.51428828077291 0.37901625868105 79.904 7 Br 0.61278581504657 0.98571171922709 0.87901625868105 79.904 8 Br 0.38721418495343 0.48571171922709 0.62098374131895 79.904 9 Br 0.04357587085352 0.70926536095461 0.17509812818104 79.904 10 Br 0.95642412914648 0.20926536095461 0.32490187181896 79.904 11 Br 0.95642412914648 0.29073463904539 0.82490187181896 79.904 12 Br 0.04357587085352 0.79073463904539 0.67509812818104 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 14.832603611499199 0.000000000000000 0.000000000000000 b 0.000000000000000 18.474016169999999 0.000000000000000 c -11.265096402095274 0.000000000000000 17.487299910463115Atomic positions (fractional): 1 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 > 1 2 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 > 1 3 Au 0.00000000000000 0.33333333333333 0.00000000000000 196.967 > 1 4 Au 0.50000000000000 0.33333333333333 0.00000000000000 196.967 > 1 5 Au 0.00000000000000 0.66666666666667 0.00000000000000 196.967 > 1 6 Au 0.50000000000000 0.66666666666667 0.00000000000000 196.967 > 1 7 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 1 8 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 1 9 Au 0.00000000000000 0.33333333333333 0.50000000000000 196.967 > 1 10 Au 0.50000000000000 0.33333333333333 0.50000000000000 196.967 > 1 11 Au 0.00000000000000 0.66666666666667 0.50000000000000 196.967 > 1 12 Au 0.50000000000000 0.66666666666667 0.50000000000000 196.967 > 1 13 Au 0.00000000000000 0.16666666666667 0.25000000000000 196.967 > 13 14 Au 0.50000000000000 0.16666666666667 0.25000000000000 196.967 > 13 15 Au 0.00000000000000 0.50000000000000 0.25000000000000 196.967 > 13 16 Au 0.50000000000000 0.50000000000000 0.25000000000000 196.967 > 13 17 Au 0.00000000000000 0.83333333333333 0.25000000000000 196.967 > 13 18 Au 0.50000000000000 0.83333333333333 0.25000000000000 196.967 > 13 19 Au 0.00000000000000 0.16666666666667 0.75000000000000 196.967 > 13 20 Au 0.50000000000000 0.16666666666667 0.75000000000000 196.967 > 13 21 Au 0.00000000000000 0.50000000000000 0.75000000000000 196.967 > 13 22 Au 0.50000000000000 0.50000000000000 0.75000000000000 196.967 > 13 23 Au 0.00000000000000 0.83333333333333 0.75000000000000 196.967 > 13 24 Au 0.50000000000000 0.83333333333333 0.75000000000000 196.967 > 13 25 Rb 0.25000000000000 0.16666666666667 0.00000000000000 85.468 > 25 26 Rb 0.75000000000000 0.16666666666667 0.00000000000000 85.468 > 25 27 Rb 0.25000000000000 0.50000000000000 0.00000000000000 85.468 > 25 28 Rb 0.75000000000000 0.50000000000000 0.00000000000000 85.468 > 25 29 Rb 0.25000000000000 0.83333333333333 0.00000000000000 85.468 > 25 30 Rb 0.75000000000000 0.83333333333333 0.00000000000000 85.468 > 25 31 Rb 0.25000000000000 0.16666666666667 0.50000000000000 85.468 > 25 32 Rb 0.75000000000000 0.16666666666667 0.50000000000000 85.468 > 25 33 Rb 0.25000000000000 0.50000000000000 0.50000000000000 85.468 > 25 34 Rb 0.75000000000000 0.50000000000000 0.50000000000000 85.468 > 25 35 Rb 0.25000000000000 0.83333333333333 0.50000000000000 85.468 > 25 36 Rb 0.75000000000000 0.83333333333333 0.50000000000000 85.468 > 25 37 Rb 0.25000000000000 0.00000000000000 0.25000000000000 85.468 > 37 38 Rb 0.75000000000000 0.00000000000000 0.25000000000000 85.468 > 37 39 Rb 0.25000000000000 0.33333333333333 0.25000000000000 85.468 > 37 40 Rb 0.75000000000000 0.33333333333333 0.25000000000000 85.468 > 37 41 Rb 0.25000000000000 0.66666666666667 0.25000000000000 85.468 > 37 42 Rb 0.75000000000000 0.66666666666667 0.25000000000000 85.468 > 37 43 Rb 0.25000000000000 0.00000000000000 0.75000000000000 85.468 > 37 44 Rb 0.75000000000000 0.00000000000000 0.75000000000000 85.468 > 37 45 Rb 0.25000000000000 0.33333333333333 0.75000000000000 85.468 > 37 46 Rb 0.75000000000000 0.33333333333333 0.75000000000000 85.468 > 37 47 Rb 0.25000000000000 0.66666666666667 0.75000000000000 85.468 > 37 48 Rb 0.75000000000000 0.66666666666667 0.75000000000000 85.468 > 37 49 Br 0.19360709247672 0.00476276025764 0.06049187065947 79.904 > 49 50 Br 0.69360709247672 0.00476276025764 0.06049187065947 79.904 > 49 51 Br 0.19360709247672 0.33809609359097 0.06049187065947 79.904 > 49 52 Br 0.69360709247672 0.33809609359097 0.06049187065947 79.904 > 49 53 Br 0.19360709247672 0.67142942692430 0.06049187065947 79.904 > 49 54 Br 0.69360709247672 0.67142942692430 0.06049187065947 79.904 > 49 55 Br 0.19360709247672 0.00476276025764 0.56049187065947 79.904 > 49 56 Br 0.69360709247672 0.00476276025764 0.56049187065947 79.904 > 49 57 Br 0.19360709247672 0.33809609359097 0.56049187065947 79.904 > 49 58 Br 0.69360709247672 0.33809609359097 0.56049187065947 79.904 > 49 59 Br 0.19360709247672 0.67142942692430 0.56049187065947 79.904 > 49 60 Br 0.69360709247672 0.67142942692430 0.56049187065947 79.904 > 49 61 Br 0.30639290752328 0.17142942692430 0.18950812934053 79.904 > 61 62 Br 0.80639290752328 0.17142942692430 0.18950812934053 79.904 > 61 63 Br 0.30639290752328 0.50476276025764 0.18950812934053 79.904 > 61 64 Br 0.80639290752328 0.50476276025764 0.18950812934053 79.904 > 61 65 Br 0.30639290752328 0.83809609359097 0.18950812934053 79.904 > 61 66 Br 0.80639290752328 0.83809609359097 0.18950812934053 79.904 > 61 67 Br 0.30639290752328 0.17142942692430 0.68950812934053 79.904 > 61 68 Br 0.80639290752328 0.17142942692430 0.68950812934053 79.904 > 61 69 Br 0.30639290752328 0.50476276025764 0.68950812934053 79.904 > 61 70 Br 0.80639290752328 0.50476276025764 0.68950812934053 79.904 > 61 71 Br 0.30639290752328 0.83809609359097 0.68950812934053 79.904 > 61 72 Br 0.80639290752328 0.83809609359097 0.68950812934053 79.904 > 61 73 Br 0.30639290752328 0.32857057307570 0.43950812934053 79.904 > 73 74 Br 0.80639290752328 0.32857057307570 0.43950812934053 79.904 > 73 75 Br 0.30639290752328 0.66190390640903 0.43950812934053 79.904 > 73 76 Br 0.80639290752328 0.66190390640903 0.43950812934053 79.904 > 73 77 Br 0.30639290752328 0.99523723974236 0.43950812934053 79.904 > 73 78 Br 0.80639290752328 0.99523723974236 0.43950812934053 79.904 > 73 79 Br 0.30639290752328 0.32857057307570 0.93950812934053 79.904 > 73 80 Br 0.80639290752328 0.32857057307570 0.93950812934053 79.904 > 73 81 Br 0.30639290752328 0.66190390640903 0.93950812934053 79.904 > 73 82 Br 0.80639290752328 0.66190390640903 0.93950812934053 79.904 > 73 83 Br 0.30639290752328 0.99523723974236 0.93950812934053 79.904 > 73 84 Br 0.80639290752328 0.99523723974236 0.93950812934053 79.904 > 73 85 Br 0.19360709247672 0.16190390640903 0.31049187065947 79.904 > 85 86 Br 0.69360709247672 0.16190390640903 0.31049187065947 79.904 > 85 87 Br 0.19360709247672 0.49523723974236 0.31049187065947 79.904 > 85 88 Br 0.69360709247672 0.49523723974236 0.31049187065947 79.904 > 85 89 Br 0.19360709247672 0.82857057307570 0.31049187065947 79.904 > 85 90 Br 0.69360709247672 0.82857057307570 0.31049187065947 79.904 > 85 91 Br 0.19360709247672 0.16190390640903 0.81049187065947 79.904 > 85 92 Br 0.69360709247672 0.16190390640903 0.81049187065947 79.904 > 85 93 Br 0.19360709247672 0.49523723974236 0.81049187065947 79.904 > 85 94 Br 0.69360709247672 0.49523723974236 0.81049187065947 79.904 > 85 95 Br 0.19360709247672 0.82857057307570 0.81049187065947 79.904 > 85 96 Br 0.69360709247672 0.82857057307570 0.81049187065947 79.904 > 85 97 Br 0.02178793542676 0.23642178698487 0.08754906409052 79.904 > 97 98 Br 0.52178793542676 0.23642178698487 0.08754906409052 79.904 > 97 99 Br 0.02178793542676 0.56975512031820 0.08754906409052 79.904 > 97 100 Br 0.52178793542676 0.56975512031820 0.08754906409052 79.904 > 97 101 Br 0.02178793542676 0.90308845365154 0.08754906409052 79.904 > 97 102 Br 0.52178793542676 0.90308845365154 0.08754906409052 79.904 > 97 103 Br 0.02178793542676 0.23642178698487 0.58754906409052 79.904 > 97 104 Br 0.52178793542676 0.23642178698487 0.58754906409052 79.904 > 97 105 Br 0.02178793542676 0.56975512031820 0.58754906409052 79.904 > 97 106 Br 0.52178793542676 0.56975512031820 0.58754906409052 79.904 > 97 107 Br 0.02178793542676 0.90308845365154 0.58754906409052 79.904 > 97 108 Br 0.52178793542676 0.90308845365154 0.58754906409052 79.904 > 97 109 Br 0.47821206457324 0.06975512031820 0.16245093590948 79.904 > 109 110 Br 0.97821206457324 0.06975512031820 0.16245093590948 79.904 > 109 111 Br 0.47821206457324 0.40308845365154 0.16245093590948 79.904 > 109 112 Br 0.97821206457324 0.40308845365154 0.16245093590948 79.904 > 109 113 Br 0.47821206457324 0.73642178698487 0.16245093590948 79.904 > 109 114 Br 0.97821206457324 0.73642178698487 0.16245093590948 79.904 > 109 115 Br 0.47821206457324 0.06975512031820 0.66245093590948 79.904 > 109 116 Br 0.97821206457324 0.06975512031820 0.66245093590948 79.904 > 109 117 Br 0.47821206457324 0.40308845365154 0.66245093590948 79.904 > 109 118 Br 0.97821206457324 0.40308845365154 0.66245093590948 79.904 > 109 119 Br 0.47821206457324 0.73642178698487 0.66245093590948 79.904 > 109 120 Br 0.97821206457324 0.73642178698487 0.66245093590948 79.904 > 109 121 Br 0.47821206457324 0.09691154634846 0.41245093590948 79.904 > 121 122 Br 0.97821206457324 0.09691154634846 0.41245093590948 79.904 > 121 123 Br 0.47821206457324 0.43024487968180 0.41245093590948 79.904 > 121 124 Br 0.97821206457324 0.43024487968180 0.41245093590948 79.904 > 121 125 Br 0.47821206457324 0.76357821301513 0.41245093590948 79.904 > 121 126 Br 0.97821206457324 0.76357821301513 0.41245093590948 79.904 > 121 127 Br 0.47821206457324 0.09691154634846 0.91245093590948 79.904 > 121 128 Br 0.97821206457324 0.09691154634846 0.91245093590948 79.904 > 121 129 Br 0.47821206457324 0.43024487968180 0.91245093590948 79.904 > 121 130 Br 0.97821206457324 0.43024487968180 0.91245093590948 79.904 > 121 131 Br 0.47821206457324 0.76357821301513 0.91245093590948 79.904 > 121 132 Br 0.97821206457324 0.76357821301513 0.91245093590948 79.904 > 121 133 Br 0.02178793542676 0.26357821301513 0.33754906409052 79.904 > 133 134 Br 0.52178793542676 0.26357821301513 0.33754906409052 79.904 > 133 135 Br 0.02178793542676 0.59691154634846 0.33754906409052 79.904 > 133 136 Br 0.52178793542676 0.59691154634846 0.33754906409052 79.904 > 133 137 Br 0.02178793542676 0.93024487968180 0.33754906409052 79.904 > 133 138 Br 0.52178793542676 0.93024487968180 0.33754906409052 79.904 > 133 139 Br 0.02178793542676 0.26357821301513 0.83754906409052 79.904 > 133 140 Br 0.52178793542676 0.26357821301513 0.83754906409052 79.904 > 133 141 Br 0.02178793542676 0.59691154634846 0.83754906409052 79.904 > 133 142 Br 0.52178793542676 0.59691154634846 0.83754906409052 79.904 > 133 143 Br 0.02178793542676 0.93024487968180 0.83754906409052 79.904 > 133 144 Br 0.52178793542676 0.93024487968180 0.83754906409052 79.904 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.9823012 0.0000000 0.3904465 0.0000000 4.0680645 0.0000000 0.3904470 0.0000000 4.4166441-------------------------- Born effective charges -------------------------- 1 Au 1.2572592 0.2289172 0.3109468 0.1926150 0.6729067 -0.3652745 0.1987649 -0.8341365 1.1361325 2 Au 1.2572592 -0.2289172 0.3109468 -0.1926150 0.6729067 0.3652745 0.1987649 0.8341365 1.1361325 3 Rb 1.3002473 0.1123940 0.0241845 0.2310399 1.2934072 0.1471324 0.0197360 -0.0886002 1.3525106 4 Rb 1.3002473 -0.1123940 0.0241845 -0.2310399 1.2934072 -0.1471324 0.0197360 0.0886002 1.3525106 5 Br -0.9268572 0.1212433 -0.3280779 0.0750311 -0.2020003 -0.1042971 -0.2872971 -0.0573299 -0.3931601 6 Br -0.9268572 -0.1212433 -0.3280779 -0.0750311 -0.2020003 0.1042971 -0.2872971 0.0573299 -0.3931601 7 Br -0.9268572 0.1212433 -0.3280779 0.0750311 -0.2020003 -0.1042971 -0.2872971 -0.0573299 -0.3931601 8 Br -0.9268572 -0.1212433 -0.3280779 -0.0750311 -0.2020003 0.1042971 -0.2872971 0.0573299 -0.3931601 9 Br -0.3518961 0.1141274 0.1605123 0.1180869 -0.7811566 0.1962360 0.1780467 0.1913561 -0.8511615 10 Br -0.3518961 -0.1141274 0.1605123 -0.1180869 -0.7811566 -0.1962360 0.1780467 -0.1913561 -0.8511615 11 Br -0.3518961 0.1141274 0.1605123 0.1180869 -0.7811566 0.1962360 0.1780467 0.1913561 -0.8511615 12 Br -0.3518961 -0.1141274 0.1605123 -0.1180869 -0.7811566 -0.1962360 0.1780467 -0.1913561 -0.8511615----------------------------------------------------------------------------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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084]Computing fc3[ 49, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084]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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 08:50:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 08:50:56]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 3 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.416301805749599 0.000000000000000 0.000000000000000 b 0.000000000000000 6.158005390000000 0.000000000000000 c -5.632548201047637 0.000000000000000 8.743649955231557Atomic positions (fractional): 1 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 2 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 3 Rb 0.50000000000000 0.50000000000000 0.00000000000000 85.468 4 Rb 0.50000000000000 0.00000000000000 0.50000000000000 85.468 5 Br 0.38721418495343 0.01428828077291 0.12098374131895 79.904 6 Br 0.61278581504657 0.51428828077291 0.37901625868105 79.904 7 Br 0.61278581504657 0.98571171922709 0.87901625868105 79.904 8 Br 0.38721418495343 0.48571171922709 0.62098374131895 79.904 9 Br 0.04357587085352 0.70926536095461 0.17509812818104 79.904 10 Br 0.95642412914648 0.20926536095461 0.32490187181896 79.904 11 Br 0.95642412914648 0.29073463904539 0.82490187181896 79.904 12 Br 0.04357587085352 0.79073463904539 0.67509812818104 79.904-------------------------------- supercell ---------------------------------Lattice vectors: a 14.832603611499199 0.000000000000000 0.000000000000000 b 0.000000000000000 18.474016169999999 0.000000000000000 c -11.265096402095274 0.000000000000000 17.487299910463115Atomic positions (fractional): 1 Au 0.00000000000000 0.00000000000000 0.00000000000000 196.967 > 1 2 Au 0.50000000000000 0.00000000000000 0.00000000000000 196.967 > 1 3 Au 0.00000000000000 0.33333333333333 0.00000000000000 196.967 > 1 4 Au 0.50000000000000 0.33333333333333 0.00000000000000 196.967 > 1 5 Au 0.00000000000000 0.66666666666667 0.00000000000000 196.967 > 1 6 Au 0.50000000000000 0.66666666666667 0.00000000000000 196.967 > 1 7 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 1 8 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 1 9 Au 0.00000000000000 0.33333333333333 0.50000000000000 196.967 > 1 10 Au 0.50000000000000 0.33333333333333 0.50000000000000 196.967 > 1 11 Au 0.00000000000000 0.66666666666667 0.50000000000000 196.967 > 1 12 Au 0.50000000000000 0.66666666666667 0.50000000000000 196.967 > 1 13 Au 0.00000000000000 0.16666666666667 0.25000000000000 196.967 > 13 14 Au 0.50000000000000 0.16666666666667 0.25000000000000 196.967 > 13 15 Au 0.00000000000000 0.50000000000000 0.25000000000000 196.967 > 13 16 Au 0.50000000000000 0.50000000000000 0.25000000000000 196.967 > 13 17 Au 0.00000000000000 0.83333333333333 0.25000000000000 196.967 > 13 18 Au 0.50000000000000 0.83333333333333 0.25000000000000 196.967 > 13 19 Au 0.00000000000000 0.16666666666667 0.75000000000000 196.967 > 13 20 Au 0.50000000000000 0.16666666666667 0.75000000000000 196.967 > 13 21 Au 0.00000000000000 0.50000000000000 0.75000000000000 196.967 > 13 22 Au 0.50000000000000 0.50000000000000 0.75000000000000 196.967 > 13 23 Au 0.00000000000000 0.83333333333333 0.75000000000000 196.967 > 13 24 Au 0.50000000000000 0.83333333333333 0.75000000000000 196.967 > 13 25 Rb 0.25000000000000 0.16666666666667 0.00000000000000 85.468 > 25 26 Rb 0.75000000000000 0.16666666666667 0.00000000000000 85.468 > 25 27 Rb 0.25000000000000 0.50000000000000 0.00000000000000 85.468 > 25 28 Rb 0.75000000000000 0.50000000000000 0.00000000000000 85.468 > 25 29 Rb 0.25000000000000 0.83333333333333 0.00000000000000 85.468 > 25 30 Rb 0.75000000000000 0.83333333333333 0.00000000000000 85.468 > 25 31 Rb 0.25000000000000 0.16666666666667 0.50000000000000 85.468 > 25 32 Rb 0.75000000000000 0.16666666666667 0.50000000000000 85.468 > 25 33 Rb 0.25000000000000 0.50000000000000 0.50000000000000 85.468 > 25 34 Rb 0.75000000000000 0.50000000000000 0.50000000000000 85.468 > 25 35 Rb 0.25000000000000 0.83333333333333 0.50000000000000 85.468 > 25 36 Rb 0.75000000000000 0.83333333333333 0.50000000000000 85.468 > 25 37 Rb 0.25000000000000 0.00000000000000 0.25000000000000 85.468 > 37 38 Rb 0.75000000000000 0.00000000000000 0.25000000000000 85.468 > 37 39 Rb 0.25000000000000 0.33333333333333 0.25000000000000 85.468 > 37 40 Rb 0.75000000000000 0.33333333333333 0.25000000000000 85.468 > 37 41 Rb 0.25000000000000 0.66666666666667 0.25000000000000 85.468 > 37 42 Rb 0.75000000000000 0.66666666666667 0.25000000000000 85.468 > 37 43 Rb 0.25000000000000 0.00000000000000 0.75000000000000 85.468 > 37 44 Rb 0.75000000000000 0.00000000000000 0.75000000000000 85.468 > 37 45 Rb 0.25000000000000 0.33333333333333 0.75000000000000 85.468 > 37 46 Rb 0.75000000000000 0.33333333333333 0.75000000000000 85.468 > 37 47 Rb 0.25000000000000 0.66666666666667 0.75000000000000 85.468 > 37 48 Rb 0.75000000000000 0.66666666666667 0.75000000000000 85.468 > 37 49 Br 0.19360709247672 0.00476276025764 0.06049187065947 79.904 > 49 50 Br 0.69360709247672 0.00476276025764 0.06049187065947 79.904 > 49 51 Br 0.19360709247672 0.33809609359097 0.06049187065947 79.904 > 49 52 Br 0.69360709247672 0.33809609359097 0.06049187065947 79.904 > 49 53 Br 0.19360709247672 0.67142942692430 0.06049187065947 79.904 > 49 54 Br 0.69360709247672 0.67142942692430 0.06049187065947 79.904 > 49 55 Br 0.19360709247672 0.00476276025764 0.56049187065947 79.904 > 49 56 Br 0.69360709247672 0.00476276025764 0.56049187065947 79.904 > 49 57 Br 0.19360709247672 0.33809609359097 0.56049187065947 79.904 > 49 58 Br 0.69360709247672 0.33809609359097 0.56049187065947 79.904 > 49 59 Br 0.19360709247672 0.67142942692430 0.56049187065947 79.904 > 49 60 Br 0.69360709247672 0.67142942692430 0.56049187065947 79.904 > 49 61 Br 0.30639290752328 0.17142942692430 0.18950812934053 79.904 > 61 62 Br 0.80639290752328 0.17142942692430 0.18950812934053 79.904 > 61 63 Br 0.30639290752328 0.50476276025764 0.18950812934053 79.904 > 61 64 Br 0.80639290752328 0.50476276025764 0.18950812934053 79.904 > 61 65 Br 0.30639290752328 0.83809609359097 0.18950812934053 79.904 > 61 66 Br 0.80639290752328 0.83809609359097 0.18950812934053 79.904 > 61 67 Br 0.30639290752328 0.17142942692430 0.68950812934053 79.904 > 61 68 Br 0.80639290752328 0.17142942692430 0.68950812934053 79.904 > 61 69 Br 0.30639290752328 0.50476276025764 0.68950812934053 79.904 > 61 70 Br 0.80639290752328 0.50476276025764 0.68950812934053 79.904 > 61 71 Br 0.30639290752328 0.83809609359097 0.68950812934053 79.904 > 61 72 Br 0.80639290752328 0.83809609359097 0.68950812934053 79.904 > 61 73 Br 0.30639290752328 0.32857057307570 0.43950812934053 79.904 > 73 74 Br 0.80639290752328 0.32857057307570 0.43950812934053 79.904 > 73 75 Br 0.30639290752328 0.66190390640903 0.43950812934053 79.904 > 73 76 Br 0.80639290752328 0.66190390640903 0.43950812934053 79.904 > 73 77 Br 0.30639290752328 0.99523723974236 0.43950812934053 79.904 > 73 78 Br 0.80639290752328 0.99523723974236 0.43950812934053 79.904 > 73 79 Br 0.30639290752328 0.32857057307570 0.93950812934053 79.904 > 73 80 Br 0.80639290752328 0.32857057307570 0.93950812934053 79.904 > 73 81 Br 0.30639290752328 0.66190390640903 0.93950812934053 79.904 > 73 82 Br 0.80639290752328 0.66190390640903 0.93950812934053 79.904 > 73 83 Br 0.30639290752328 0.99523723974236 0.93950812934053 79.904 > 73 84 Br 0.80639290752328 0.99523723974236 0.93950812934053 79.904 > 73 85 Br 0.19360709247672 0.16190390640903 0.31049187065947 79.904 > 85 86 Br 0.69360709247672 0.16190390640903 0.31049187065947 79.904 > 85 87 Br 0.19360709247672 0.49523723974236 0.31049187065947 79.904 > 85 88 Br 0.69360709247672 0.49523723974236 0.31049187065947 79.904 > 85 89 Br 0.19360709247672 0.82857057307570 0.31049187065947 79.904 > 85 90 Br 0.69360709247672 0.82857057307570 0.31049187065947 79.904 > 85 91 Br 0.19360709247672 0.16190390640903 0.81049187065947 79.904 > 85 92 Br 0.69360709247672 0.16190390640903 0.81049187065947 79.904 > 85 93 Br 0.19360709247672 0.49523723974236 0.81049187065947 79.904 > 85 94 Br 0.69360709247672 0.49523723974236 0.81049187065947 79.904 > 85 95 Br 0.19360709247672 0.82857057307570 0.81049187065947 79.904 > 85 96 Br 0.69360709247672 0.82857057307570 0.81049187065947 79.904 > 85 97 Br 0.02178793542676 0.23642178698487 0.08754906409052 79.904 > 97 98 Br 0.52178793542676 0.23642178698487 0.08754906409052 79.904 > 97 99 Br 0.02178793542676 0.56975512031820 0.08754906409052 79.904 > 97 100 Br 0.52178793542676 0.56975512031820 0.08754906409052 79.904 > 97 101 Br 0.02178793542676 0.90308845365154 0.08754906409052 79.904 > 97 102 Br 0.52178793542676 0.90308845365154 0.08754906409052 79.904 > 97 103 Br 0.02178793542676 0.23642178698487 0.58754906409052 79.904 > 97 104 Br 0.52178793542676 0.23642178698487 0.58754906409052 79.904 > 97 105 Br 0.02178793542676 0.56975512031820 0.58754906409052 79.904 > 97 106 Br 0.52178793542676 0.56975512031820 0.58754906409052 79.904 > 97 107 Br 0.02178793542676 0.90308845365154 0.58754906409052 79.904 > 97 108 Br 0.52178793542676 0.90308845365154 0.58754906409052 79.904 > 97 109 Br 0.47821206457324 0.06975512031820 0.16245093590948 79.904 > 109 110 Br 0.97821206457324 0.06975512031820 0.16245093590948 79.904 > 109 111 Br 0.47821206457324 0.40308845365154 0.16245093590948 79.904 > 109 112 Br 0.97821206457324 0.40308845365154 0.16245093590948 79.904 > 109 113 Br 0.47821206457324 0.73642178698487 0.16245093590948 79.904 > 109 114 Br 0.97821206457324 0.73642178698487 0.16245093590948 79.904 > 109 115 Br 0.47821206457324 0.06975512031820 0.66245093590948 79.904 > 109 116 Br 0.97821206457324 0.06975512031820 0.66245093590948 79.904 > 109 117 Br 0.47821206457324 0.40308845365154 0.66245093590948 79.904 > 109 118 Br 0.97821206457324 0.40308845365154 0.66245093590948 79.904 > 109 119 Br 0.47821206457324 0.73642178698487 0.66245093590948 79.904 > 109 120 Br 0.97821206457324 0.73642178698487 0.66245093590948 79.904 > 109 121 Br 0.47821206457324 0.09691154634846 0.41245093590948 79.904 > 121 122 Br 0.97821206457324 0.09691154634846 0.41245093590948 79.904 > 121 123 Br 0.47821206457324 0.43024487968180 0.41245093590948 79.904 > 121 124 Br 0.97821206457324 0.43024487968180 0.41245093590948 79.904 > 121 125 Br 0.47821206457324 0.76357821301513 0.41245093590948 79.904 > 121 126 Br 0.97821206457324 0.76357821301513 0.41245093590948 79.904 > 121 127 Br 0.47821206457324 0.09691154634846 0.91245093590948 79.904 > 121 128 Br 0.97821206457324 0.09691154634846 0.91245093590948 79.904 > 121 129 Br 0.47821206457324 0.43024487968180 0.91245093590948 79.904 > 121 130 Br 0.97821206457324 0.43024487968180 0.91245093590948 79.904 > 121 131 Br 0.47821206457324 0.76357821301513 0.91245093590948 79.904 > 121 132 Br 0.97821206457324 0.76357821301513 0.91245093590948 79.904 > 121 133 Br 0.02178793542676 0.26357821301513 0.33754906409052 79.904 > 133 134 Br 0.52178793542676 0.26357821301513 0.33754906409052 79.904 > 133 135 Br 0.02178793542676 0.59691154634846 0.33754906409052 79.904 > 133 136 Br 0.52178793542676 0.59691154634846 0.33754906409052 79.904 > 133 137 Br 0.02178793542676 0.93024487968180 0.33754906409052 79.904 > 133 138 Br 0.52178793542676 0.93024487968180 0.33754906409052 79.904 > 133 139 Br 0.02178793542676 0.26357821301513 0.83754906409052 79.904 > 133 140 Br 0.52178793542676 0.26357821301513 0.83754906409052 79.904 > 133 141 Br 0.02178793542676 0.59691154634846 0.83754906409052 79.904 > 133 142 Br 0.52178793542676 0.59691154634846 0.83754906409052 79.904 > 133 143 Br 0.02178793542676 0.93024487968180 0.83754906409052 79.904 > 133 144 Br 0.52178793542676 0.93024487968180 0.83754906409052 79.904 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.9823012 0.0000000 0.3904465 0.0000000 4.0680645 0.0000000 0.3904470 0.0000000 4.4166441-------------------------- Born effective charges -------------------------- 1 Au 1.2572592 0.2289172 0.3109468 0.1926150 0.6729067 -0.3652745 0.1987649 -0.8341365 1.1361325 2 Au 1.2572592 -0.2289172 0.3109468 -0.1926150 0.6729067 0.3652745 0.1987649 0.8341365 1.1361325 3 Rb 1.3002473 0.1123940 0.0241845 0.2310399 1.2934072 0.1471324 0.0197360 -0.0886002 1.3525106 4 Rb 1.3002473 -0.1123940 0.0241845 -0.2310399 1.2934072 -0.1471324 0.0197360 0.0886002 1.3525106 5 Br -0.9268572 0.1212433 -0.3280779 0.0750311 -0.2020003 -0.1042971 -0.2872971 -0.0573299 -0.3931601 6 Br -0.9268572 -0.1212433 -0.3280779 -0.0750311 -0.2020003 0.1042971 -0.2872971 0.0573299 -0.3931601 7 Br -0.9268572 0.1212433 -0.3280779 0.0750311 -0.2020003 -0.1042971 -0.2872971 -0.0573299 -0.3931601 8 Br -0.9268572 -0.1212433 -0.3280779 -0.0750311 -0.2020003 0.1042971 -0.2872971 0.0573299 -0.3931601 9 Br -0.3518961 0.1141274 0.1605123 0.1180869 -0.7811566 0.1962360 0.1780467 0.1913561 -0.8511615 10 Br -0.3518961 -0.1141274 0.1605123 -0.1180869 -0.7811566 -0.1962360 0.1780467 -0.1913561 -0.8511615 11 Br -0.3518961 0.1141274 0.1605123 0.1180869 -0.7811566 0.1962360 0.1780467 0.1913561 -0.8511615 12 Br -0.3518961 -0.1141274 0.1605123 -0.1180869 -0.7811566 -0.1962360 0.1780467 -0.1913561 -0.8511615----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz)Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 8 8 6 ]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: 0.56, Number of G-points: 303, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/130) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.567 ( 0.000 0.000 0.000) 0.000 0.946 ( 0.000 0.000 0.000) 0.000 1.016 ( 0.000 0.000 0.000) 0.000 1.052 ( 0.000 0.000 0.000) 0.000 1.090 ( 0.000 0.000 0.000) 0.000 1.129 ( 0.000 0.000 0.000) 0.000 1.375 ( 0.000 0.000 0.000) 0.000 1.400 ( 0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 0.000 0.000) 0.000 1.627 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 2.024 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 2.934 ( 0.000 0.000 0.000) 0.000 3.108 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.520 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.377 ( 0.000 0.000 0.000) 0.000 7.453 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/130) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.164 ( 5.416 0.000 6.768) 8.668 0.199 ( 7.203 0.000 5.774) 9.232 0.349 ( 17.934 0.000 1.648) 18.010 0.561 ( -1.899 0.000 2.430) 3.084 0.978 ( 2.770 0.000 -6.835) 7.375 1.011 ( -2.129 0.000 2.714) 3.449 1.049 ( -0.436 0.000 -2.448) 2.486 1.102 ( 1.403 0.000 -0.442) 1.471 1.177 ( 1.943 0.000 2.479) 3.150 1.286 ( -5.201 0.000 -6.520) 8.341 1.382 ( 1.711 0.000 -0.755) 1.870 1.457 ( -4.182 0.000 -3.291) 5.321 1.599 ( -3.071 0.000 -0.551) 3.120 1.615 ( 2.622 0.000 2.555) 3.661 1.746 ( -0.357 0.000 -0.730) 0.813 1.837 ( 4.381 0.000 3.141) 5.390 1.865 ( -1.345 0.000 1.502) 2.016 1.949 ( 0.844 0.000 1.682) 1.882 2.026 ( -0.226 0.000 0.257) 0.342 2.205 ( 1.149 0.000 1.360) 1.781 2.844 ( -0.208 0.000 0.328) 0.388 2.925 ( -0.772 0.000 -0.712) 1.050 3.124 ( 1.288 0.000 0.811) 1.522 3.127 ( -0.024 0.000 -0.655) 0.655 3.180 ( 1.897 0.000 0.592) 1.987 3.225 ( -2.024 0.000 0.278) 2.043 3.346 ( -0.150 0.000 0.635) 0.653 3.463 ( -1.422 0.000 -0.630) 1.555 5.468 ( 0.589 0.000 -0.139) 0.605 5.515 ( -0.703 0.000 0.238) 0.742 6.039 ( -0.473 0.000 -0.511) 0.696 6.083 ( -0.996 0.000 0.513) 1.120 7.191 ( -0.042 0.000 0.034) 0.054 7.192 ( -0.685 0.000 1.209) 1.390 7.453 ( 0.433 0.000 -0.708) 0.830 7.498 ( 1.443 0.000 -0.289) 1.472======================= Grid point 2 (3/130) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.329 ( 5.249 0.000 6.929) 8.693 0.348 ( 3.502 0.000 3.741) 5.124 0.574 ( -0.948 0.000 4.805) 4.897 0.615 ( 12.599 0.000 -1.131) 12.650 0.944 ( -0.425 0.000 -2.352) 2.390 1.014 ( -1.977 0.000 4.257) 4.694 1.025 ( 2.268 0.000 -4.636) 5.161 1.096 ( -3.457 0.000 -5.777) 6.732 1.137 ( 0.127 0.000 -2.994) 2.997 1.196 ( -3.353 0.000 2.242) 4.034 1.358 ( -1.743 0.000 -4.585) 4.906 1.428 ( 2.682 0.000 1.270) 2.968 1.565 ( -0.019 0.000 0.752) 0.752 1.643 ( -1.554 0.000 -0.752) 1.726 1.771 ( 1.169 0.000 4.390) 4.543 1.839 ( -1.288 0.000 -1.711) 2.142 1.919 ( 2.944 0.000 0.665) 3.018 1.989 ( 1.745 0.000 0.920) 1.973 2.029 ( -0.116 0.000 1.052) 1.058 2.251 ( 1.648 0.000 2.454) 2.956 2.844 ( -0.291 0.000 0.267) 0.395 2.892 ( -1.564 0.000 -1.474) 2.149 3.129 ( 0.764 0.000 -0.199) 0.790 3.165 ( 2.005 0.000 1.399) 2.444 3.184 ( -2.539 0.000 -0.312) 2.558 3.221 ( 2.433 0.000 0.222) 2.443 3.353 ( -0.102 0.000 0.981) 0.986 3.421 ( -2.230 0.000 -1.302) 2.582 5.478 ( 0.636 0.000 -0.235) 0.677 5.503 ( -1.088 0.000 0.309) 1.131 6.021 ( -0.710 0.000 -0.806) 1.074 6.067 ( -1.598 0.000 0.646) 1.723 7.191 ( -0.099 0.000 0.064) 0.118 7.194 ( -0.218 0.000 0.525) 0.569 7.454 ( 0.829 0.000 -1.007) 1.305 7.526 ( 1.804 0.000 0.069) 1.805======================= Grid point 3 (4/130) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.376 ( -2.441 0.000 0.477) 2.487 0.481 ( 4.032 0.000 5.906) 7.150 0.624 ( 0.542 0.000 3.761) 3.800 0.737 ( 4.704 0.000 -2.685) 5.417 0.924 ( 0.363 0.000 -1.596) 1.637 0.956 ( -2.136 0.000 -3.848) 4.401 1.028 ( 3.322 0.000 -3.515) 4.836 1.057 ( -0.922 0.000 4.313) 4.410 1.138 ( -4.638 0.000 1.219) 4.795 1.155 ( 3.809 0.000 -2.272) 4.435 1.291 ( -0.975 0.000 -4.024) 4.140 1.460 ( -0.151 0.000 1.011) 1.023 1.590 ( -3.013 0.000 -0.469) 3.049 1.625 ( 3.768 0.000 2.729) 4.652 1.790 ( -2.110 0.000 -1.936) 2.864 1.833 ( 0.572 0.000 3.364) 3.412 1.957 ( 1.513 0.000 -0.357) 1.555 2.020 ( 1.513 0.000 -0.325) 1.548 2.045 ( 0.285 0.000 1.277) 1.308 2.301 ( 1.002 0.000 2.106) 2.332 2.839 ( -0.345 0.000 -0.023) 0.346 2.849 ( -1.342 0.000 -1.376) 1.922 3.137 ( -1.992 0.000 -0.346) 2.022 3.141 ( 0.644 0.000 -0.040) 0.645 3.221 ( 2.347 0.000 1.625) 2.855 3.261 ( 1.802 0.000 0.082) 1.804 3.363 ( 0.073 0.000 0.731) 0.734 3.364 ( -2.439 0.000 -1.545) 2.887 5.483 ( 0.288 0.000 -0.208) 0.355 5.488 ( -0.834 0.000 0.204) 0.859 6.002 ( -0.509 0.000 -0.615) 0.799 6.047 ( -1.264 0.000 0.395) 1.325 7.190 ( -0.110 0.000 0.056) 0.124 7.195 ( -0.060 0.000 0.212) 0.220 7.458 ( 0.766 0.000 -0.706) 1.042 7.554 ( 1.254 0.000 0.138) 1.261======================= Grid point 4 (5/130) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 70Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.339 ( 0.000 0.000 0.000) 0.000 0.558 ( 0.000 0.000 0.000) 0.000 0.651 ( 0.000 0.000 0.000) 0.000 0.753 ( 0.000 0.000 0.000) 0.000 0.915 ( 0.000 0.000 0.000) 0.000 0.923 ( 0.000 0.000 0.000) 0.000 1.043 ( 0.000 0.000 0.000) 0.000 1.073 ( 0.000 0.000 0.000) 0.000 1.099 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.243 ( 0.000 0.000 -0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.557 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 -0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.368 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.484 ( 0.000 0.000 0.000) 0.000 5.994 ( 0.000 0.000 0.000) 0.000 6.038 ( 0.000 0.000 0.000) 0.000 7.189 ( 0.000 0.000 0.000) 0.000 7.196 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.566 ( 0.000 0.000 0.000) 0.000======================= Grid point 9 (6/130) =======================q-point: ( 0.00 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.197 ( 0.000 9.454 0.000) 9.454 0.233 ( 0.000 11.055 0.000) 11.055 0.325 ( 0.000 15.221 0.000) 15.221 0.659 ( 0.000 1.782 0.000) 1.782 0.896 ( 0.000 -4.290 0.000) 4.290 0.982 ( 0.000 -3.835 0.000) 3.835 1.028 ( 0.000 -0.759 0.000) 0.759 1.120 ( 0.000 -0.923 0.000) 0.923 1.133 ( 0.000 2.243 0.000) 2.243 1.319 ( 0.000 -4.313 0.000) 4.313 1.381 ( 0.000 -3.887 0.000) 3.887 1.482 ( 0.000 1.401 0.000) 1.401 1.616 ( 0.000 -1.736 0.000) 1.736 1.644 ( 0.000 0.500 0.000) 0.500 1.695 ( 0.000 -2.456 0.000) 2.456 1.707 ( 0.000 2.690 0.000) 2.690 1.911 ( 0.000 1.002 0.000) 1.002 1.968 ( 0.000 2.637 0.000) 2.637 2.034 ( 0.000 0.988 0.000) 0.988 2.240 ( 0.000 -0.417 0.000) 0.417 2.851 ( 0.000 0.618 0.000) 0.618 2.990 ( 0.000 -0.451 0.000) 0.451 3.111 ( 0.000 0.269 0.000) 0.269 3.149 ( 0.000 -0.093 0.000) 0.093 3.157 ( 0.000 1.143 0.000) 1.143 3.232 ( 0.000 0.081 0.000) 0.081 3.350 ( 0.000 -0.683 0.000) 0.683 3.466 ( 0.000 -1.149 0.000) 1.149 5.470 ( 0.000 0.509 0.000) 0.509 5.521 ( 0.000 0.004 0.000) 0.004 6.047 ( 0.000 0.026 0.000) 0.026 6.086 ( 0.000 -0.270 0.000) 0.270 7.188 ( 0.000 0.294 0.000) 0.294 7.240 ( 0.000 -0.143 0.000) 0.143 7.379 ( 0.000 0.252 0.000) 0.252 7.450 ( 0.000 -0.331 0.000) 0.331======================= Grid point 10 (7/130) =======================q-point: ( 0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.236 ( 6.675 8.105 -2.492) 10.791 0.310 ( 5.825 6.706 3.652) 9.604 0.460 ( 7.834 9.010 4.926) 12.915 0.616 ( -2.070 3.897 1.199) 4.573 0.901 ( 1.675 -5.222 -2.716) 6.120 0.967 ( -2.702 -3.757 2.012) 5.046 1.036 ( 0.211 -0.653 -1.139) 1.330 1.128 ( 0.912 -0.430 -0.265) 1.043 1.176 ( 2.743 0.967 1.209) 3.149 1.277 ( -3.807 -1.449 -7.185) 8.259 1.335 ( 1.960 -3.505 0.377) 4.033 1.480 ( -5.131 1.601 -3.998) 6.699 1.579 ( -1.513 -1.644 0.627) 2.321 1.598 ( 1.747 -1.371 1.011) 2.440 1.766 ( 3.921 -0.209 1.738) 4.294 1.803 ( 0.471 -1.276 3.358) 3.623 1.856 ( -0.679 0.730 -1.974) 2.212 1.988 ( 0.316 2.650 2.033) 3.354 2.035 ( 0.122 1.144 0.149) 1.160 2.225 ( -0.441 0.807 0.932) 1.309 2.850 ( -0.309 0.502 0.296) 0.660 2.949 ( -2.005 1.162 -1.206) 2.612 3.112 ( 0.227 -0.271 0.235) 0.425 3.153 ( 0.852 1.580 -0.218) 1.808 3.177 ( 1.785 -0.189 0.512) 1.867 3.222 ( -1.519 -0.131 -0.094) 1.527 3.344 ( -0.406 -0.367 0.446) 0.706 3.454 ( -1.077 -0.844 -0.566) 1.481 5.473 ( 0.440 0.420 -0.081) 0.614 5.512 ( -0.879 -0.174 0.282) 0.940 6.039 ( -0.483 0.013 -0.458) 0.666 6.081 ( -0.946 -0.233 0.495) 1.093 7.191 ( 0.057 0.235 0.286) 0.375 7.211 ( -1.130 1.016 -0.096) 1.523 7.450 ( 0.583 -0.280 -0.592) 0.877 7.457 ( 3.495 -2.312 1.068) 4.324======================= Grid point 11 (8/130) =======================q-point: ( 0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.354 ( 6.567 4.820 2.150) 8.424 0.442 ( 3.931 4.700 4.028) 7.333 0.587 ( 0.569 2.413 5.306) 5.857 0.668 ( 7.081 3.761 -1.645) 8.185 0.899 ( 0.519 -4.138 -0.451) 4.195 0.954 ( -0.494 -3.883 1.047) 4.052 1.021 ( -1.012 0.185 -0.094) 1.033 1.112 ( -4.340 -1.134 -4.249) 6.178 1.131 ( -2.361 0.178 -3.106) 3.906 1.209 ( 2.566 0.528 -2.676) 3.744 1.356 ( -2.761 0.119 -4.040) 4.894 1.408 ( 2.923 -1.113 3.130) 4.425 1.550 ( -0.538 -0.770 0.431) 1.034 1.637 ( -0.488 -1.600 -0.631) 1.788 1.785 ( -1.057 -0.556 2.580) 2.843 1.820 ( 1.255 0.487 0.239) 1.367 1.901 ( 2.332 -1.141 1.184) 2.853 2.005 ( 0.262 0.819 0.121) 0.868 2.047 ( 0.419 1.718 0.953) 2.009 2.250 ( 0.808 -0.248 2.290) 2.441 2.847 ( -0.382 0.367 0.315) 0.616 2.905 ( -1.686 0.957 -1.420) 2.403 3.123 ( 0.628 -0.378 0.269) 0.780 3.176 ( 0.275 0.504 0.536) 0.785 3.185 ( -1.115 0.342 -0.095) 1.170 3.219 ( 2.412 -0.216 0.224) 2.432 3.346 ( -0.158 -0.549 0.576) 0.811 3.422 ( -1.610 0.017 -1.002) 1.896 5.480 ( 0.471 0.209 -0.232) 0.565 5.499 ( -1.086 -0.290 0.397) 1.192 6.022 ( -0.660 0.101 -0.720) 0.982 6.065 ( -1.514 -0.157 0.589) 1.632 7.194 ( 0.055 0.264 0.203) 0.338 7.199 ( -0.457 0.560 0.099) 0.729 7.453 ( 0.895 -0.031 -0.911) 1.278 7.511 ( 2.304 -1.231 0.362) 2.637======================= Grid point 12 (9/130) =======================q-point: ( 0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.476 ( 4.476 6.160 0.779) 7.654 0.518 ( 0.200 4.770 4.778) 6.754 0.648 ( 0.503 1.986 4.074) 4.560 0.726 ( 3.183 -0.890 -3.474) 4.795 0.915 ( -0.027 -2.126 1.370) 2.529 0.966 ( 2.907 -2.565 -4.413) 5.874 0.975 ( -1.975 0.204 -2.735) 3.380 1.018 ( -1.183 -2.287 -0.135) 2.578 1.080 ( -3.432 -2.471 2.146) 4.743 1.228 ( 3.315 0.861 -3.228) 4.706 1.292 ( -1.105 1.228 -2.330) 2.856 1.444 ( -1.235 -0.599 1.673) 2.164 1.574 ( -0.609 -0.868 0.046) 1.061 1.630 ( 2.690 -0.505 1.918) 3.343 1.779 ( -1.737 -1.167 -0.705) 2.208 1.850 ( 0.761 1.791 1.904) 2.723 1.938 ( 1.012 -1.692 0.535) 2.043 2.009 ( 0.419 -0.935 -0.275) 1.061 2.062 ( 0.390 1.388 0.488) 1.522 2.287 ( 0.532 -1.353 1.938) 2.422 2.843 ( -0.412 0.478 0.193) 0.660 2.865 ( -1.118 1.207 -1.296) 2.094 3.122 ( -1.131 -0.902 -0.502) 1.532 3.154 ( -0.150 0.695 0.314) 0.777 3.218 ( 1.452 -0.484 1.307) 2.012 3.259 ( 1.781 -0.221 0.128) 1.799 3.345 ( -0.262 -0.452 -0.516) 0.734 3.387 ( -1.205 1.010 -0.349) 1.611 5.483 ( 0.170 0.000 -0.216) 0.275 5.486 ( -0.778 -0.203 0.251) 0.843 6.005 ( -0.495 0.213 -0.557) 0.775 6.046 ( -1.199 -0.084 0.343) 1.250 7.194 ( -0.142 0.430 -0.013) 0.453 7.198 ( -0.030 0.210 0.188) 0.283 7.460 ( 0.794 0.141 -0.635) 1.026 7.546 ( 1.368 -0.796 0.195) 1.595======================= Grid point 13 (10/130) =======================q-point: (-0.50 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.498 ( 0.000 12.537 0.000) 12.537 0.565 ( 0.000 0.816 0.000) 0.816 0.680 ( 0.000 2.521 0.000) 2.521 0.727 ( 0.000 -2.806 0.000) 2.806 0.921 ( 0.000 0.130 -0.000) 0.130 0.927 ( -0.000 0.191 0.000) 0.191 0.973 ( 0.000 -3.954 0.000) 3.954 1.018 ( 0.000 -5.876 0.000) 5.876 1.065 ( -0.000 -1.909 0.000) 1.909 1.243 ( 0.000 1.818 0.000) 1.818 1.267 ( 0.000 1.657 -0.000) 1.657 1.440 ( 0.000 -1.229 0.000) 1.229 1.556 ( 0.000 0.290 0.000) 0.290 1.717 ( 0.000 0.642 0.000) 0.642 1.718 ( 0.000 -1.474 0.000) 1.474 1.868 ( 0.000 1.370 0.000) 1.370 1.949 ( 0.000 -1.843 0.000) 1.843 2.011 ( 0.000 -1.783 0.000) 1.783 2.069 ( 0.000 1.098 0.000) 1.098 2.303 ( 0.000 -1.830 0.000) 1.830 2.843 ( -0.000 1.269 -0.000) 1.269 2.844 ( 0.000 0.780 0.000) 0.780 3.105 ( 0.000 -0.905 0.000) 0.905 3.158 ( 0.000 0.860 0.000) 0.860 3.242 ( 0.000 -1.765 0.000) 1.765 3.275 ( 0.000 -0.280 0.000) 0.280 3.333 ( 0.000 0.982 0.000) 0.982 3.377 ( 0.000 0.730 0.000) 0.730 5.480 ( 0.000 -0.169 0.000) 0.169 5.483 ( 0.000 -0.061 0.000) 0.061 5.997 ( 0.000 0.251 0.000) 0.251 6.037 ( 0.000 -0.056 0.000) 0.056 7.193 ( 0.000 0.382 0.000) 0.382 7.198 ( 0.000 0.223 0.000) 0.223 7.464 ( 0.000 0.201 0.000) 0.201 7.559 ( 0.000 -0.711 0.000) 0.711======================= Grid point 18 (11/130) =======================q-point: ( 0.00 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.378 ( 0.000 8.321 0.000) 8.321 0.441 ( 0.000 9.156 0.000) 9.156 0.587 ( 0.000 8.982 0.000) 8.982 0.715 ( 0.000 4.210 0.000) 4.210 0.809 ( 0.000 -3.316 0.000) 3.316 0.892 ( 0.000 -4.117 0.000) 4.117 1.021 ( 0.000 -0.092 0.000) 0.092 1.088 ( 0.000 -2.507 0.000) 2.507 1.167 ( 0.000 1.166 0.000) 1.166 1.242 ( 0.000 -2.628 0.000) 2.628 1.285 ( 0.000 -5.053 0.000) 5.053 1.487 ( 0.000 -3.067 0.000) 3.067 1.565 ( 0.000 -0.931 0.000) 0.931 1.644 ( 0.000 -0.722 0.000) 0.722 1.684 ( 0.000 1.179 0.000) 1.179 1.760 ( 0.000 2.278 0.000) 2.278 1.936 ( 0.000 1.457 0.000) 1.457 2.017 ( 0.000 1.872 0.000) 1.872 2.063 ( 0.000 1.743 0.000) 1.743 2.225 ( 0.000 -1.116 0.000) 1.116 2.868 ( 0.000 0.975 0.000) 0.975 2.976 ( 0.000 -0.951 0.000) 0.951 3.119 ( 0.000 0.533 0.000) 0.533 3.147 ( 0.000 -0.052 0.000) 0.052 3.187 ( 0.000 1.671 0.000) 1.671 3.233 ( 0.000 -0.001 0.000) 0.001 3.333 ( 0.000 -0.850 0.000) 0.850 3.434 ( 0.000 -1.974 0.000) 1.974 5.481 ( 0.000 0.538 0.000) 0.538 5.518 ( 0.000 -0.310 0.000) 0.310 6.047 ( 0.000 0.031 0.000) 0.031 6.078 ( 0.000 -0.547 0.000) 0.547 7.197 ( 0.000 0.636 0.000) 0.636 7.237 ( 0.000 -0.140 0.000) 0.140 7.387 ( 0.000 0.475 0.000) 0.475 7.440 ( 0.000 -0.583 0.000) 0.583======================= Grid point 19 (12/130) =======================q-point: ( 0.12 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.409 ( 4.883 7.737 -2.367) 9.450 0.455 ( 1.978 7.516 0.014) 7.772 0.616 ( -0.996 4.697 4.507) 6.585 0.705 ( 1.174 4.557 -1.250) 4.869 0.813 ( -0.315 -2.674 1.333) 3.004 0.886 ( -0.831 -3.167 0.836) 3.379 1.025 ( 0.301 -0.804 -0.862) 1.216 1.097 ( -0.299 -1.306 1.212) 1.807 1.163 ( 0.822 -3.129 -2.764) 4.255 1.248 ( -0.005 -1.142 -4.019) 4.178 1.286 ( 3.087 -0.627 2.750) 4.182 1.470 ( -3.265 -3.723 -4.665) 6.803 1.549 ( 0.994 -0.005 1.105) 1.486 1.581 ( -1.793 -0.623 -1.067) 2.178 1.742 ( 1.190 -0.657 1.951) 2.378 1.806 ( 0.504 0.753 4.256) 4.352 1.897 ( 0.214 2.667 -3.470) 4.382 2.028 ( -0.725 1.097 1.372) 1.900 2.069 ( 0.160 1.996 1.049) 2.260 2.225 ( -0.548 -0.737 1.285) 1.580 2.863 ( -0.466 0.827 0.134) 0.958 2.956 ( -1.637 -0.374 -0.627) 1.792 3.115 ( -0.251 0.497 0.381) 0.674 3.170 ( 1.759 -0.162 0.483) 1.831 3.187 ( 0.212 1.193 -0.238) 1.234 3.220 ( -1.154 -0.091 -0.663) 1.334 3.333 ( -0.058 -0.494 0.339) 0.602 3.430 ( -0.199 -1.493 -0.459) 1.575 5.482 ( 0.168 0.404 -0.048) 0.440 5.509 ( -1.002 -0.236 0.171) 1.044 6.040 ( -0.480 0.125 -0.354) 0.609 6.073 ( -0.760 -0.492 0.375) 0.980 7.199 ( 0.049 0.560 0.156) 0.583 7.225 ( -0.704 0.368 -0.382) 0.882 7.427 ( 3.027 -0.713 0.990) 3.264 7.444 ( 0.679 -0.409 -0.470) 0.922======================= Grid point 20 (13/130) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.485 ( 2.781 6.498 1.257) 7.179 0.503 ( 5.742 2.391 -0.005) 6.220 0.650 ( 0.110 2.188 3.365) 4.015 0.724 ( 3.863 1.322 -4.563) 6.123 0.829 ( -2.357 -2.650 5.973) 6.946 0.891 ( 0.880 -0.636 -0.268) 1.119 1.017 ( -1.238 -2.086 1.083) 2.657 1.086 ( -1.621 0.937 -1.271) 2.263 1.115 ( -0.958 -2.775 -4.947) 5.752 1.206 ( 0.005 -0.052 -3.801) 3.802 1.345 ( -2.527 -1.020 -2.132) 3.460 1.413 ( 5.019 0.659 2.096) 5.479 1.546 ( -1.665 0.176 0.954) 1.927 1.582 ( 1.306 -3.017 -1.297) 3.534 1.744 ( -1.205 -1.658 1.026) 2.292 1.853 ( -0.247 0.836 4.546) 4.629 1.903 ( 2.532 1.717 -2.165) 3.748 2.018 ( -1.345 0.557 0.360) 1.500 2.082 ( -0.143 1.447 0.912) 1.717 2.236 ( -0.526 -1.241 2.114) 2.507 2.858 ( -0.462 0.663 0.396) 0.900 2.918 ( -1.590 0.219 -0.932) 1.856 3.120 ( -0.074 0.115 0.575) 0.591 3.179 ( -1.326 0.125 -0.382) 1.386 3.193 ( -0.180 0.035 0.192) 0.265 3.213 ( 2.228 -0.389 0.346) 2.288 3.339 ( 0.498 0.065 -0.043) 0.504 3.418 ( -0.458 -0.446 -0.689) 0.940 5.484 ( 0.124 0.141 -0.160) 0.247 5.493 ( -1.060 -0.238 0.347) 1.140 6.026 ( -0.611 0.256 -0.540) 0.855 6.060 ( -1.259 -0.355 0.422) 1.375 7.202 ( 0.018 0.434 0.199) 0.478 7.212 ( -0.436 0.544 -0.249) 0.741 7.453 ( 1.097 -0.025 -0.655) 1.278 7.485 ( 2.644 -1.163 0.573) 2.945======================= Grid point 21 (14/130) =======================q-point: ( 0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.545 ( 2.030 1.699 2.625) 3.728 0.617 ( 5.488 0.772 0.333) 5.552 0.681 ( 2.456 1.442 -0.835) 2.968 0.736 ( 0.671 2.237 0.609) 2.414 0.863 ( -1.441 -2.677 5.425) 6.219 0.897 ( 1.385 -0.613 -2.305) 2.758 0.994 ( -2.990 -1.048 -2.699) 4.161 1.014 ( -2.263 0.285 -0.369) 2.311 1.036 ( -2.350 0.332 -3.627) 4.334 1.200 ( 2.572 -1.931 -1.178) 3.425 1.299 ( -0.625 -0.927 -1.632) 1.978 1.474 ( -1.915 2.590 1.850) 3.715 1.563 ( 2.287 -0.178 0.279) 2.311 1.605 ( 3.050 -1.233 1.351) 3.557 1.737 ( -0.764 -2.823 -0.297) 2.940 1.890 ( -1.366 -0.624 4.328) 4.581 1.911 ( 1.909 1.485 -2.874) 3.756 1.994 ( -1.734 -0.119 0.204) 1.750 2.086 ( 0.134 0.728 0.076) 0.744 2.248 ( -0.496 -2.476 1.557) 2.967 2.857 ( -0.280 0.819 0.657) 1.087 2.887 ( -0.875 0.796 -0.973) 1.532 3.107 ( -1.307 -0.463 -0.488) 1.470 3.169 ( 0.124 0.803 0.740) 1.099 3.198 ( -0.046 -1.416 0.514) 1.507 3.251 ( 1.592 -0.558 0.197) 1.699 3.348 ( 0.957 0.711 -0.502) 1.294 3.401 ( -0.706 0.358 -0.402) 0.887 5.481 ( -0.710 -0.197 0.261) 0.782 5.483 ( -0.002 -0.038 -0.193) 0.197 6.011 ( -0.476 0.377 -0.423) 0.739 6.043 ( -1.014 -0.216 0.213) 1.058 7.203 ( -0.016 0.351 0.091) 0.362 7.205 ( -0.159 0.526 -0.071) 0.554 7.464 ( 0.885 0.295 -0.450) 1.036 7.525 ( 1.504 -1.124 0.254) 1.895======================= Grid point 22 (15/130) =======================q-point: (-0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 106Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.583 ( -0.000 0.400 0.000) 0.400 0.651 ( 0.000 -3.948 0.000) 3.948 0.734 ( -0.000 6.645 0.000) 6.645 0.743 ( 0.000 3.464 0.000) 3.464 0.882 ( 0.000 1.057 -0.000) 1.057 0.894 ( 0.000 -5.164 0.000) 5.164 0.927 ( 0.000 -0.680 0.000) 0.680 0.982 ( 0.000 2.552 0.000) 2.552 1.007 ( -0.000 -3.215 0.000) 3.215 1.224 ( 0.000 -3.180 0.000) 3.180 1.286 ( 0.000 0.098 0.000) 0.098 1.456 ( -0.000 2.720 0.000) 2.720 1.581 ( 0.000 2.298 0.000) 2.298 1.675 ( 0.000 -3.045 0.000) 3.045 1.707 ( 0.000 -1.669 0.000) 1.669 1.898 ( -0.000 -3.050 0.000) 3.050 1.915 ( 0.000 2.929 -0.000) 2.929 1.976 ( 0.000 -0.993 0.000) 0.993 2.088 ( 0.000 0.557 0.000) 0.557 2.252 ( 0.000 -3.105 0.000) 3.105 2.863 ( 0.000 0.963 -0.000) 0.963 2.870 ( 0.000 1.139 0.000) 1.139 3.090 ( 0.000 -0.443 0.000) 0.443 3.178 ( 0.000 1.117 0.000) 1.117 3.200 ( 0.000 -2.280 0.000) 2.280 3.266 ( 0.000 -0.652 0.000) 0.652 3.356 ( 0.000 1.166 0.000) 1.166 3.391 ( 0.000 0.486 0.000) 0.486 5.477 ( 0.000 -0.146 0.000) 0.146 5.482 ( 0.000 -0.109 0.000) 0.109 6.004 ( 0.000 0.423 0.000) 0.423 6.035 ( 0.000 -0.158 0.000) 0.158 7.202 ( -0.000 0.504 0.000) 0.504 7.204 ( 0.000 0.334 0.000) 0.334 7.470 ( 0.000 0.408 0.000) 0.408 7.540 ( 0.000 -1.102 0.000) 1.102======================= Grid point 27 (16/130) =======================q-point: ( 0.00 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.529 ( 0.000 6.405 0.000) 6.405 0.594 ( 0.000 5.718 0.000) 5.718 0.664 ( 0.000 0.448 0.000) 0.448 0.749 ( 0.000 -2.835 0.000) 2.835 0.792 ( 0.000 2.018 0.000) 2.018 0.902 ( 0.000 3.778 0.000) 3.778 1.023 ( 0.000 0.372 0.000) 0.372 1.026 ( 0.000 -2.261 0.000) 2.261 1.179 ( 0.000 -0.159 0.000) 0.159 1.181 ( 0.000 -3.689 0.000) 3.689 1.238 ( 0.000 1.171 0.000) 1.171 1.384 ( 0.000 -5.484 0.000) 5.484 1.566 ( 0.000 0.209 0.000) 0.209 1.615 ( 0.000 -1.897 0.000) 1.897 1.730 ( 0.000 2.851 0.000) 2.851 1.791 ( 0.000 0.575 0.000) 0.575 1.971 ( 0.000 1.935 0.000) 1.935 2.034 ( 0.000 -0.242 0.000) 0.242 2.105 ( 0.000 2.359 0.000) 2.359 2.195 ( 0.000 -1.791 0.000) 1.791 2.890 ( 0.000 1.256 0.000) 1.256 2.951 ( 0.000 -1.493 0.000) 1.493 3.132 ( 0.000 0.664 0.000) 0.664 3.146 ( 0.000 -0.035 0.000) 0.035 3.218 ( 0.000 1.104 0.000) 1.104 3.232 ( 0.000 -0.112 0.000) 0.112 3.324 ( 0.000 0.225 0.000) 0.225 3.390 ( 0.000 -2.275 0.000) 2.275 5.490 ( 0.000 0.371 0.000) 0.371 5.509 ( 0.000 -0.557 0.000) 0.557 6.049 ( 0.000 0.142 0.000) 0.142 6.065 ( 0.000 -0.625 0.000) 0.625 7.212 ( 0.000 0.766 0.000) 0.766 7.233 ( 0.000 -0.221 0.000) 0.221 7.398 ( 0.000 0.642 0.000) 0.642 7.427 ( 0.000 -0.717 0.000) 0.717======================= Grid point 28 (17/130) =======================q-point: ( 0.12 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.536 ( 1.156 5.027 -1.144) 5.284 0.589 ( 0.390 4.446 -1.600) 4.741 0.668 ( -0.301 1.513 1.819) 2.385 0.746 ( 1.368 -0.152 -2.428) 2.791 0.782 ( -1.422 0.241 0.985) 1.747 0.901 ( -1.004 3.348 2.479) 4.286 0.976 ( -0.438 -3.737 -2.409) 4.467 1.077 ( -1.764 -4.309 -0.718) 4.711 1.120 ( 1.624 2.990 0.607) 3.457 1.229 ( 0.996 -0.846 -1.921) 2.323 1.287 ( 3.637 0.200 2.777) 4.580 1.380 ( 0.259 -4.242 -1.107) 4.392 1.545 ( -0.926 -0.484 -1.888) 2.158 1.565 ( -1.967 -0.979 -2.036) 2.996 1.758 ( -0.083 2.024 2.198) 2.989 1.817 ( 0.477 0.083 2.949) 2.988 1.953 ( 0.497 2.676 -2.418) 3.641 2.032 ( -0.672 -0.688 0.342) 1.021 2.111 ( -0.800 2.124 1.862) 2.936 2.199 ( -0.820 -1.789 1.744) 2.629 2.883 ( -0.682 1.127 0.025) 1.318 2.938 ( -1.241 -1.277 -0.214) 1.794 3.131 ( -0.286 1.041 0.602) 1.236 3.164 ( 1.487 -0.346 0.476) 1.599 3.203 ( -1.105 0.398 -0.267) 1.205 3.217 ( -1.310 -0.325 -0.764) 1.551 3.334 ( 0.987 0.688 0.015) 1.203 3.396 ( 0.792 -1.813 -0.385) 2.016 5.489 ( -0.124 0.251 -0.025) 0.281 5.502 ( -0.751 -0.395 0.102) 0.854 6.044 ( -0.410 0.241 -0.180) 0.508 6.062 ( -0.532 -0.594 0.199) 0.822 7.212 ( -0.054 0.668 0.027) 0.671 7.228 ( -0.347 -0.029 -0.255) 0.431 7.421 ( 2.095 0.049 0.502) 2.155 7.435 ( 0.989 -0.461 -0.214) 1.111======================= Grid point 29 (18/130) =======================q-point: ( 0.25 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.534 ( 0.436 1.805 -0.881) 2.055 0.587 ( 1.547 1.440 -1.564) 2.629 0.682 ( 0.668 2.470 -0.263) 2.572 0.766 ( 3.783 3.631 -2.573) 5.841 0.777 ( -2.050 -2.084 4.576) 5.430 0.917 ( 0.102 1.716 1.010) 1.994 0.949 ( -1.177 -3.847 -0.165) 4.026 1.035 ( -0.835 -4.436 -0.894) 4.601 1.136 ( -1.128 2.914 -1.191) 3.344 1.209 ( 0.092 -0.074 -2.963) 2.965 1.334 ( -0.681 0.247 -1.036) 1.265 1.402 ( 4.085 -1.661 0.788) 4.480 1.528 ( 0.527 -1.063 0.435) 1.264 1.548 ( 1.232 -1.051 0.325) 1.652 1.749 ( -2.482 2.057 0.462) 3.256 1.847 ( -1.193 -1.275 2.937) 3.417 1.952 ( 2.004 2.655 -1.977) 3.870 2.024 ( -0.613 -0.223 0.386) 0.758 2.108 ( -1.832 1.432 1.524) 2.780 2.200 ( -1.687 -2.277 2.106) 3.531 2.874 ( -0.620 0.861 0.438) 1.148 2.912 ( -1.296 -0.753 -0.242) 1.518 3.130 ( -1.003 0.912 0.601) 1.483 3.182 ( -1.918 -0.861 0.049) 2.103 3.185 ( -0.032 0.113 -0.287) 0.310 3.203 ( 1.939 -0.582 0.281) 2.044 3.352 ( 1.349 1.110 -0.451) 1.805 3.403 ( 0.594 -1.012 -0.616) 1.325 5.485 ( -0.274 0.018 -0.022) 0.276 5.490 ( -0.777 -0.164 0.155) 0.809 6.032 ( -0.598 0.379 -0.315) 0.775 6.051 ( -0.927 -0.493 0.188) 1.066 7.211 ( -0.077 0.476 0.048) 0.485 7.219 ( -0.323 0.193 -0.228) 0.439 7.453 ( 1.433 0.070 -0.308) 1.468 7.466 ( 2.363 -0.691 0.405) 2.495======================= Grid point 30 (19/130) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.550 ( 1.781 -0.388 -0.037) 1.823 0.590 ( 0.858 -1.834 -1.622) 2.594 0.705 ( 2.003 0.770 0.188) 2.154 0.774 ( -2.109 -0.408 3.310) 3.946 0.826 ( 2.825 1.737 0.111) 3.319 0.922 ( 0.008 0.923 -0.181) 0.941 0.933 ( -0.566 -3.130 -0.068) 3.182 1.020 ( -0.944 -1.550 -0.286) 1.837 1.079 ( -1.446 3.283 -2.958) 4.650 1.175 ( -1.216 -1.027 -1.250) 2.024 1.306 ( 0.233 2.953 -1.607) 3.370 1.491 ( 3.805 -1.738 1.510) 4.447 1.545 ( 0.054 -0.571 1.975) 2.056 1.607 ( 3.570 -0.503 0.926) 3.722 1.700 ( -2.689 0.819 -0.933) 2.962 1.838 ( -2.161 -3.469 1.186) 4.255 1.968 ( 1.474 2.885 -0.909) 3.365 2.012 ( -1.797 1.534 0.681) 2.459 2.091 ( -0.818 0.051 0.194) 0.842 2.188 ( -1.592 -3.341 1.172) 3.882 2.873 ( -0.262 0.718 0.815) 1.118 2.894 ( -0.613 -0.115 -0.260) 0.675 3.107 ( -1.399 0.526 -0.321) 1.529 3.160 ( -1.038 -1.699 0.474) 2.047 3.193 ( 0.692 1.002 0.315) 1.258 3.236 ( 1.379 -0.914 0.246) 1.673 3.368 ( 1.161 1.081 -0.505) 1.664 3.401 ( -0.014 -0.353 -0.523) 0.632 5.479 ( -0.492 -0.049 0.138) 0.513 5.482 ( -0.236 -0.100 -0.079) 0.268 6.019 ( -0.484 0.462 -0.268) 0.721 6.037 ( -0.771 -0.366 0.054) 0.855 7.211 ( -0.020 0.331 0.011) 0.332 7.213 ( -0.180 0.282 -0.079) 0.344 7.472 ( 1.049 0.493 -0.212) 1.178 7.503 ( 1.452 -1.026 0.192) 1.789======================= Grid point 31 (20/130) =======================q-point: (-0.50 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.570 ( 0.000 -1.202 0.000) 1.202 0.587 ( -0.000 -2.244 0.000) 2.244 0.732 ( 0.000 -1.724 0.000) 1.724 0.770 ( 0.000 -2.355 0.000) 2.355 0.858 ( 0.000 2.769 -0.000) 2.769 0.920 ( 0.000 0.431 -0.000) 0.431 0.923 ( -0.000 -2.067 0.000) 2.067 1.002 ( 0.000 1.645 0.000) 1.645 1.052 ( 0.000 4.258 0.000) 4.258 1.155 ( 0.000 -2.955 0.000) 2.955 1.305 ( 0.000 3.479 0.000) 3.479 1.521 ( 0.000 3.107 0.000) 3.107 1.585 ( 0.000 -5.663 0.000) 5.663 1.644 ( -0.000 3.061 0.000) 3.061 1.659 ( -0.000 -2.230 -0.000) 2.230 1.822 ( 0.000 -4.396 0.000) 4.396 1.976 ( 0.000 2.950 -0.000) 2.950 1.993 ( 0.000 2.426 0.000) 2.426 2.087 ( 0.000 -0.573 0.000) 0.573 2.179 ( 0.000 -3.980 0.000) 3.980 2.879 ( 0.000 0.562 -0.000) 0.562 2.885 ( 0.000 0.346 0.000) 0.346 3.092 ( 0.000 0.652 0.000) 0.652 3.154 ( 0.000 -2.152 0.000) 2.152 3.202 ( 0.000 1.236 0.000) 1.236 3.249 ( 0.000 -0.965 0.000) 0.965 3.377 ( 0.000 0.863 0.000) 0.863 3.396 ( 0.000 -0.012 0.000) 0.012 5.475 ( 0.000 0.001 -0.000) 0.001 5.479 ( 0.000 -0.137 0.000) 0.137 6.013 ( 0.000 0.486 0.000) 0.486 6.031 ( 0.000 -0.305 0.000) 0.305 7.211 ( -0.000 0.272 0.000) 0.272 7.211 ( 0.000 0.311 -0.000) 0.311 7.480 ( 0.000 0.639 0.000) 0.639 7.517 ( 0.000 -1.113 0.000) 1.113======================= Grid point 36 (21/130) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 78Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.634 ( 0.000 -3.596 0.000) 3.596 0.634 ( 0.000 3.596 0.000) 3.596 0.680 ( 0.000 -3.402 0.000) 3.402 0.680 ( 0.000 3.402 0.000) 3.402 0.871 ( 0.000 -4.631 0.000) 4.631 0.871 ( 0.000 4.631 0.000) 4.631 1.033 ( 0.000 -0.068 0.000) 0.068 1.033 ( 0.000 0.068 0.000) 0.068 1.155 ( 0.000 -1.403 0.000) 1.403 1.155 ( 0.000 1.403 0.000) 1.403 1.290 ( 0.000 -3.631 0.000) 3.631 1.290 ( 0.000 3.631 0.000) 3.631 1.579 ( 0.000 -1.313 0.000) 1.313 1.579 ( 0.000 1.313 0.000) 1.313 1.779 ( 0.000 -1.679 0.000) 1.679 1.779 ( 0.000 1.679 0.000) 1.679 2.011 ( 0.000 -1.829 0.000) 1.829 2.011 ( 0.000 1.829 0.000) 1.829 2.153 ( 0.000 -2.289 0.000) 2.289 2.153 ( 0.000 2.289 0.000) 2.289 2.919 ( 0.000 -1.568 0.000) 1.568 2.919 ( 0.000 1.568 0.000) 1.568 3.143 ( 0.000 -0.378 0.000) 0.378 3.143 ( 0.000 0.378 0.000) 0.378 3.229 ( 0.000 -0.194 0.000) 0.194 3.229 ( 0.000 0.194 0.000) 0.194 3.346 ( 0.000 -1.824 0.000) 1.824 3.346 ( 0.000 1.824 0.000) 1.824 5.498 ( 0.000 -0.451 0.000) 0.451 5.498 ( 0.000 0.451 0.000) 0.451 6.054 ( 0.000 -0.412 0.000) 0.412 6.054 ( 0.000 0.412 0.000) 0.412 7.226 ( 0.000 -0.530 0.000) 0.530 7.226 ( 0.000 0.530 0.000) 0.530 7.412 ( 0.000 -0.731 0.000) 0.731 7.412 ( 0.000 0.731 0.000) 0.731======================= Grid point 38 (22/130) =======================q-point: ( 0.12 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.611 ( -0.991 -1.907 -1.867) 2.847 0.611 ( -0.991 1.907 -1.867) 2.847 0.704 ( 1.344 -2.378 1.388) 3.064 0.704 ( 1.344 2.378 1.388) 3.064 0.864 ( 0.464 -5.470 -1.723) 5.754 0.864 ( 0.464 5.470 -1.723) 5.754 0.990 ( -2.981 -3.979 -0.150) 4.974 0.990 ( -2.981 3.979 -0.150) 4.974 1.191 ( 1.903 -3.089 -0.118) 3.630 1.191 ( 1.903 3.089 -0.118) 3.630 1.311 ( 1.741 -2.451 1.380) 3.308 1.311 ( 1.741 2.451 1.380) 3.308 1.546 ( -1.387 -0.679 -2.252) 2.731 1.546 ( -1.387 0.679 -2.252) 2.731 1.801 ( 0.248 -1.697 2.067) 2.686 1.801 ( 0.248 1.697 2.067) 2.686 2.002 ( -0.072 -2.114 -0.940) 2.315 2.002 ( -0.072 2.114 -0.940) 2.315 2.156 ( -1.184 -2.280 2.036) 3.278 2.156 ( -1.184 2.280 2.036) 3.278 2.909 ( -0.955 -1.434 -0.036) 1.723 2.909 ( -0.955 1.434 -0.036) 1.723 3.152 ( 0.534 -0.909 0.645) 1.236 3.152 ( 0.534 0.909 0.645) 1.236 3.209 ( -1.594 -0.321 -0.553) 1.718 3.209 ( -1.594 0.321 -0.553) 1.718 3.359 ( 1.388 -1.675 -0.281) 2.194 3.359 ( 1.388 1.675 -0.281) 2.194 5.494 ( -0.415 -0.319 0.037) 0.525 5.494 ( -0.415 0.319 0.037) 0.525 6.051 ( -0.400 -0.452 0.012) 0.603 6.051 ( -0.400 0.452 0.012) 0.603 7.224 ( -0.181 -0.424 -0.106) 0.473 7.224 ( -0.181 0.424 -0.106) 0.473 7.426 ( 1.441 -0.362 0.104) 1.489 7.426 ( 1.441 0.362 0.104) 1.489======================= Grid point 40 (23/130) =======================q-point: ( 0.25 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.574 ( -0.285 -1.806 -2.380) 3.001 0.574 ( -0.285 1.806 -2.380) 3.001 0.735 ( -0.308 -2.342 1.887) 3.023 0.735 ( -0.308 2.342 1.887) 3.023 0.862 ( 1.831 -4.833 -1.749) 5.456 0.862 ( 1.831 4.833 -1.749) 5.456 0.958 ( -1.481 -2.740 1.149) 3.320 0.958 ( -1.481 2.740 1.149) 3.320 1.188 ( -0.688 -2.011 -2.062) 2.961 1.188 ( -0.688 2.011 -2.062) 2.961 1.360 ( 2.492 -2.048 0.242) 3.235 1.360 ( 2.492 2.048 0.242) 3.235 1.527 ( 0.873 -0.710 0.569) 1.261 1.527 ( 0.873 0.710 0.569) 1.261 1.804 ( -2.179 -2.806 1.040) 3.702 1.804 ( -2.179 2.806 1.040) 3.702 2.001 ( 1.080 -1.959 -0.691) 2.341 2.001 ( 1.080 1.959 -0.691) 2.341 2.149 ( -2.520 -2.493 2.112) 4.126 2.149 ( -2.520 2.493 2.112) 4.126 2.893 ( -0.945 -1.023 0.262) 1.417 2.893 ( -0.945 1.023 0.262) 1.417 3.155 ( -1.720 -1.422 0.461) 2.279 3.155 ( -1.720 1.422 0.461) 2.279 3.192 ( 0.944 -0.453 -0.159) 1.059 3.192 ( 0.944 0.453 -0.159) 1.059 3.378 ( 1.289 -1.344 -0.597) 1.955 3.378 ( 1.289 1.344 -0.597) 1.955 5.487 ( -0.516 -0.120 0.058) 0.533 5.487 ( -0.516 0.120 0.058) 0.533 6.041 ( -0.682 -0.482 -0.065) 0.838 6.041 ( -0.682 0.482 -0.065) 0.838 7.219 ( -0.205 -0.232 -0.102) 0.326 7.219 ( -0.205 0.232 -0.102) 0.326 7.457 ( 1.879 -0.304 0.066) 1.905 7.457 ( 1.879 0.304 0.066) 1.905======================= Grid point 42 (24/130) =======================q-point: ( 0.38 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.557 ( 0.650 -1.214 -1.259) 1.866 0.557 ( 0.650 1.214 -1.259) 1.866 0.734 ( -1.491 -2.159 1.285) 2.921 0.734 ( -1.491 2.159 1.285) 2.921 0.882 ( 1.528 -2.175 -0.538) 2.712 0.882 ( 1.528 2.175 -0.538) 2.712 0.961 ( 0.445 -3.291 0.779) 3.411 0.961 ( 0.445 3.291 0.779) 3.411 1.139 ( -1.857 -2.452 -1.974) 3.655 1.139 ( -1.857 2.452 -1.974) 3.655 1.406 ( 3.098 -5.546 -0.368) 6.363 1.406 ( 3.098 5.546 -0.368) 6.363 1.568 ( 1.449 -2.181 1.906) 3.238 1.568 ( 1.449 2.181 1.906) 3.238 1.761 ( -2.943 -3.872 -0.071) 4.864 1.761 ( -2.943 3.872 -0.071) 4.864 2.016 ( 0.975 -1.554 -0.211) 1.847 2.016 ( 0.975 1.554 -0.211) 1.847 2.120 ( -2.506 -2.996 0.878) 4.003 2.120 ( -2.506 2.996 0.878) 4.003 2.886 ( -0.399 -0.545 0.465) 0.820 2.886 ( -0.399 0.545 0.465) 0.820 3.127 ( -1.339 -1.395 -0.027) 1.934 3.127 ( -1.339 1.395 -0.027) 1.934 3.215 ( 1.088 -1.110 0.347) 1.593 3.215 ( 1.088 1.110 0.347) 1.593 3.388 ( 0.684 -0.873 -0.559) 1.242 3.388 ( 0.684 0.873 -0.559) 1.242 5.479 ( -0.352 -0.093 0.026) 0.365 5.479 ( -0.352 0.093 0.026) 0.365 6.029 ( -0.574 -0.461 -0.108) 0.744 6.029 ( -0.574 0.461 -0.108) 0.744 7.215 ( -0.111 -0.092 -0.046) 0.151 7.215 ( -0.111 0.092 -0.046) 0.151 7.485 ( 1.262 -0.755 0.018) 1.471 7.485 ( 1.262 0.755 0.018) 1.471======================= Grid point 44 (25/130) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.559 ( 0.000 -0.418 0.000) 0.418 0.559 ( -0.000 0.418 0.000) 0.418 0.726 ( 0.000 -1.149 0.000) 1.149 0.726 ( 0.000 1.149 -0.000) 1.149 0.892 ( 0.000 -0.826 0.000) 0.826 0.892 ( 0.000 0.826 0.000) 0.826 0.974 ( -0.000 -3.590 0.000) 3.590 0.974 ( 0.000 3.590 0.000) 3.590 1.107 ( 0.000 -2.008 0.000) 2.008 1.107 ( 0.000 2.008 0.000) 2.008 1.437 ( -0.000 -7.847 0.000) 7.847 1.437 ( 0.000 7.847 0.000) 7.847 1.593 ( 0.000 -3.240 0.000) 3.240 1.593 ( 0.000 3.240 0.000) 3.240 1.730 ( -0.000 -4.445 0.000) 4.445 1.730 ( 0.000 4.445 0.000) 4.445 2.023 ( 0.000 -1.052 0.000) 1.052 2.023 ( 0.000 1.052 0.000) 1.052 2.100 ( 0.000 -3.119 0.000) 3.119 2.100 ( 0.000 3.119 0.000) 3.119 2.886 ( 0.000 -0.161 0.000) 0.161 2.886 ( 0.000 0.161 0.000) 0.161 3.115 ( 0.000 -1.611 0.000) 1.611 3.115 ( 0.000 1.611 0.000) 1.611 3.227 ( 0.000 -1.190 0.000) 1.190 3.227 ( 0.000 1.190 0.000) 1.190 3.391 ( 0.000 -0.455 0.000) 0.455 3.391 ( 0.000 0.455 0.000) 0.455 5.476 ( 0.000 -0.112 0.000) 0.112 5.476 ( 0.000 0.112 0.000) 0.112 6.023 ( 0.000 -0.438 0.000) 0.438 6.023 ( 0.000 0.438 0.000) 0.438 7.214 ( 0.000 -0.023 0.000) 0.023 7.214 ( 0.000 0.023 0.000) 0.023 7.496 ( 0.000 -0.899 0.000) 0.899 7.496 ( 0.000 0.899 0.000) 0.899======================= Grid point 81 (26/130) =======================q-point: ( 0.00 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.161 ( -6.053 0.000 8.332) 10.298 0.215 ( -0.960 0.000 11.122) 11.163 0.317 ( -3.179 0.000 16.059) 16.371 0.559 ( 3.156 0.000 -0.939) 3.292 0.931 ( -2.340 0.000 -4.244) 4.846 1.025 ( 2.270 0.000 0.660) 2.364 1.026 ( -3.754 0.000 -1.338) 3.985 1.069 ( 1.064 0.000 -1.947) 2.219 1.159 ( 3.006 0.000 2.001) 3.611 1.307 ( -2.753 0.000 -6.273) 6.851 1.366 ( -0.691 0.000 -1.324) 1.494 1.510 ( -3.340 0.000 -0.887) 3.455 1.599 ( -0.474 0.000 0.258) 0.540 1.631 ( -1.264 0.000 -0.184) 1.277 1.710 ( 2.554 0.000 -0.516) 2.606 1.753 ( 8.689 0.000 -0.595) 8.709 1.844 ( -0.057 0.000 5.298) 5.299 2.025 ( -1.405 0.000 0.170) 1.415 2.087 ( -5.025 0.000 1.580) 5.267 2.176 ( 2.256 0.000 -1.114) 2.517 2.887 ( -2.770 0.000 -0.047) 2.771 2.929 ( -0.307 0.000 -0.557) 0.637 3.112 ( 0.676 0.000 0.426) 0.799 3.134 ( -1.473 0.000 -0.302) 1.504 3.167 ( 0.698 0.000 1.234) 1.418 3.246 ( 0.086 0.000 -0.498) 0.505 3.351 ( 0.315 0.000 0.690) 0.758 3.478 ( -0.778 0.000 -1.269) 1.488 5.468 ( -0.418 0.000 0.401) 0.579 5.516 ( 0.433 0.000 -0.377) 0.574 6.048 ( -0.798 0.000 0.154) 0.813 6.084 ( 0.927 0.000 -0.437) 1.024 7.196 ( -0.219 0.000 0.434) 0.486 7.244 ( -3.120 0.000 -0.332) 3.137 7.412 ( 6.282 0.000 0.261) 6.288 7.450 ( -0.651 0.000 -0.331) 0.730======================= Grid point 82 (27/130) =======================q-point: ( 0.12 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.303 ( 8.591 0.000 4.002) 9.477 0.342 ( 2.378 0.000 8.357) 8.688 0.470 ( 2.508 0.000 11.461) 11.732 0.607 ( 1.840 0.000 2.112) 2.801 0.890 ( 2.293 0.000 -4.439) 4.996 0.987 ( -1.106 0.000 -2.205) 2.467 1.042 ( 1.472 0.000 -2.489) 2.892 1.082 ( 0.002 0.000 0.591) 0.591 1.169 ( -6.214 0.000 -4.903) 7.916 1.234 ( 0.685 0.000 0.531) 0.867 1.367 ( -4.050 0.000 -5.112) 6.522 1.378 ( 4.213 0.000 1.571) 4.496 1.594 ( -2.611 0.000 0.299) 2.628 1.650 ( 0.576 0.000 0.986) 1.142 1.747 ( 3.158 0.000 0.253) 3.168 1.809 ( 2.168 0.000 -3.078) 3.765 1.909 ( 0.885 0.000 4.250) 4.341 1.995 ( -1.578 0.000 0.820) 1.778 2.053 ( -1.566 0.000 1.542) 2.198 2.221 ( 3.344 0.000 0.352) 3.363 2.864 ( -1.194 0.000 1.154) 1.660 2.906 ( -1.296 0.000 -1.062) 1.676 3.119 ( 0.065 0.000 -0.220) 0.229 3.142 ( 1.854 0.000 1.064) 2.137 3.194 ( 1.157 0.000 0.849) 1.435 3.221 ( -1.920 0.000 -0.573) 2.004 3.364 ( -0.010 0.000 1.225) 1.225 3.442 ( -1.622 0.000 -1.608) 2.285 5.469 ( 0.134 0.000 0.173) 0.219 5.515 ( -0.206 0.000 -0.228) 0.308 6.031 ( -1.054 0.000 -0.346) 1.109 6.088 ( -0.280 0.000 0.007) 0.280 7.197 ( -0.294 0.000 0.526) 0.603 7.212 ( -1.298 0.000 0.670) 1.461 7.437 ( 0.050 0.000 -0.883) 0.884 7.481 ( 3.204 0.000 -0.802) 3.303======================= Grid point 83 (28/130) =======================q-point: ( 0.25 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.438 ( -1.374 0.000 5.581) 5.748 0.470 ( 6.237 0.000 3.024) 6.932 0.621 ( 4.561 0.000 5.130) 6.864 0.660 ( 0.414 0.000 3.343) 3.368 0.907 ( 5.250 0.000 -5.108) 7.325 0.930 ( -2.534 0.000 -1.533) 2.962 0.973 ( -5.040 0.000 -4.884) 7.018 1.048 ( 4.483 0.000 -5.221) 6.882 1.120 ( -1.631 0.000 4.057) 4.373 1.205 ( -1.777 0.000 -1.273) 2.186 1.288 ( -1.367 0.000 -2.206) 2.595 1.477 ( 0.189 0.000 3.358) 3.364 1.588 ( 2.632 0.000 1.814) 3.197 1.634 ( -2.133 0.000 -0.079) 2.135 1.791 ( -0.247 0.000 -2.900) 2.910 1.803 ( 3.047 0.000 -1.327) 3.323 1.959 ( 0.334 0.000 3.306) 3.322 1.997 ( 0.786 0.000 0.450) 0.905 2.049 ( -0.118 0.000 0.212) 0.242 2.281 ( 2.677 0.000 0.399) 2.706 2.857 ( -1.126 0.000 1.018) 1.518 2.867 ( -1.792 0.000 -0.858) 1.986 3.127 ( 0.910 0.000 -0.088) 0.914 3.176 ( -2.549 0.000 -0.406) 2.581 3.194 ( 2.464 0.000 1.393) 2.830 3.225 ( 1.900 0.000 0.138) 1.905 3.375 ( -0.377 0.000 1.327) 1.380 3.390 ( -2.186 0.000 -1.805) 2.835 5.473 ( 0.366 0.000 -0.206) 0.420 5.505 ( -0.764 0.000 -0.039) 0.765 6.008 ( -0.895 0.000 -0.501) 1.025 6.075 ( -1.342 0.000 0.153) 1.350 7.197 ( -0.416 0.000 0.581) 0.714 7.204 ( -0.576 0.000 0.410) 0.707 7.436 ( 0.961 0.000 -0.814) 1.259 7.522 ( 2.420 0.000 -0.356) 2.446======================= Grid point 84 (29/130) =======================q-point: ( 0.38 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.402 ( -5.885 0.000 2.145) 6.264 0.561 ( 2.518 0.000 -0.577) 2.583 0.679 ( -1.578 0.000 1.775) 2.375 0.736 ( 1.888 0.000 4.248) 4.649 0.878 ( 2.133 0.000 -2.420) 3.225 0.914 ( 0.605 0.000 -0.070) 0.610 0.954 ( 4.036 0.000 -3.921) 5.627 1.056 ( 2.212 0.000 -5.013) 5.479 1.170 ( 2.309 0.000 4.393) 4.963 1.170 ( -2.517 0.000 1.910) 3.160 1.258 ( -1.218 0.000 0.707) 1.409 1.467 ( -1.303 0.000 -0.441) 1.376 1.592 ( -2.812 0.000 0.546) 2.865 1.685 ( 3.309 0.000 3.376) 4.727 1.741 ( -1.658 0.000 -3.158) 3.567 1.812 ( 1.850 0.000 -4.404) 4.776 1.993 ( -0.479 0.000 2.935) 2.974 2.022 ( 1.222 0.000 0.580) 1.352 2.050 ( 0.349 0.000 -0.798) 0.871 2.305 ( 1.045 0.000 -1.861) 2.134 2.839 ( -1.001 0.000 0.483) 1.112 2.849 ( -1.023 0.000 0.980) 1.417 3.135 ( -1.811 0.000 0.083) 1.813 3.141 ( 0.680 0.000 -0.003) 0.680 3.249 ( 2.047 0.000 1.052) 2.301 3.257 ( 1.840 0.000 -0.561) 1.924 3.335 ( -1.899 0.000 -1.344) 2.326 3.378 ( -0.715 0.000 0.884) 1.137 5.477 ( 0.470 0.000 -0.458) 0.656 5.491 ( -0.825 0.000 0.053) 0.826 5.994 ( -0.221 0.000 -0.197) 0.296 6.051 ( -1.357 0.000 0.027) 1.357 7.195 ( -0.474 0.000 0.480) 0.674 7.200 ( -0.307 0.000 0.222) 0.379 7.451 ( 1.192 0.000 -0.044) 1.193 7.552 ( 1.480 0.000 -0.380) 1.528======================= Grid point 85 (30/130) =======================q-point: (-0.50 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.369 ( -0.873 0.000 3.179) 3.297 0.534 ( -4.021 0.000 -1.424) 4.265 0.641 ( -3.446 0.000 -0.987) 3.584 0.775 ( 1.032 0.000 1.894) 2.157 0.940 ( 0.485 0.000 -5.330) 5.352 0.950 ( 1.490 0.000 2.426) 2.847 0.974 ( 6.324 0.000 2.957) 6.981 1.022 ( 0.090 0.000 -3.405) 3.406 1.158 ( -2.814 0.000 3.276) 4.319 1.213 ( -1.860 0.000 1.397) 2.326 1.304 ( 2.637 0.000 4.688) 5.378 1.446 ( 0.237 0.000 -1.545) 1.563 1.569 ( -0.443 0.000 1.401) 1.469 1.663 ( -3.147 0.000 -3.071) 4.397 1.761 ( 2.463 0.000 1.360) 2.813 1.777 ( 1.379 0.000 -6.663) 6.804 2.002 ( -1.767 0.000 2.131) 2.768 2.035 ( 0.059 0.000 -1.107) 1.108 2.043 ( -0.449 0.000 0.405) 0.604 2.282 ( 0.238 0.000 -3.789) 3.796 2.847 ( 0.397 0.000 1.607) 1.655 2.847 ( -0.599 0.000 1.086) 1.240 3.124 ( 0.074 0.000 0.621) 0.625 3.147 ( 0.008 0.000 0.065) 0.066 3.246 ( -1.966 0.000 -1.357) 2.389 3.269 ( 0.485 0.000 -0.850) 0.979 3.336 ( 2.057 0.000 1.102) 2.333 3.369 ( -0.989 0.000 0.097) 0.994 5.481 ( 0.508 0.000 -0.292) 0.586 5.481 ( -0.214 0.000 -0.102) 0.237 5.998 ( 0.504 0.000 0.347) 0.612 6.035 ( -0.277 0.000 -0.276) 0.391 7.193 ( -0.312 0.000 0.350) 0.469 7.197 ( -0.250 0.000 0.107) 0.272 7.469 ( 0.328 0.000 0.754) 0.823 7.560 ( 0.162 0.000 -0.613) 0.634======================= Grid point 86 (31/130) =======================q-point: (-0.38 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.387 ( -2.405 0.000 1.485) 2.827 0.427 ( -7.691 0.000 1.002) 7.756 0.554 ( -3.271 0.000 -2.922) 4.386 0.783 ( -5.403 0.000 0.918) 5.480 0.907 ( 3.853 0.000 -2.506) 4.597 0.954 ( 0.597 0.000 -3.835) 3.881 1.074 ( 4.363 0.000 5.857) 7.303 1.096 ( 1.939 0.000 3.567) 4.059 1.135 ( -1.301 0.000 0.739) 1.497 1.180 ( -2.785 0.000 0.256) 2.797 1.381 ( 0.470 0.000 4.739) 4.763 1.439 ( 0.171 0.000 -0.584) 0.609 1.578 ( -2.617 0.000 -2.487) 3.610 1.612 ( 2.667 0.000 1.319) 2.975 1.722 ( 1.109 0.000 -6.439) 6.534 1.805 ( 2.492 0.000 -0.994) 2.683 1.978 ( -3.163 0.000 0.965) 3.307 2.013 ( -1.080 0.000 -0.980) 1.458 2.036 ( -1.221 0.000 1.051) 1.611 2.239 ( -0.193 0.000 -3.960) 3.965 2.849 ( -0.473 0.000 0.895) 1.012 2.880 ( 1.267 0.000 1.584) 2.028 3.143 ( -0.590 0.000 0.123) 0.603 3.148 ( 1.737 0.000 0.786) 1.906 3.192 ( -2.360 0.000 -1.360) 2.724 3.255 ( -1.256 0.000 -0.472) 1.342 3.350 ( -0.745 0.000 -0.603) 0.958 3.390 ( 2.517 0.000 1.088) 2.742 5.482 ( 0.668 0.000 -0.494) 0.831 5.485 ( 0.076 0.000 0.059) 0.096 6.016 ( 0.810 0.000 0.737) 1.095 6.036 ( 1.008 0.000 -0.712) 1.234 7.192 ( -0.153 0.000 0.299) 0.336 7.194 ( -0.272 0.000 0.075) 0.282 7.476 ( -0.639 0.000 1.123) 1.292 7.545 ( -0.964 0.000 -0.906) 1.323======================= Grid point 87 (32/130) =======================q-point: (-0.25 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.296 ( -6.583 0.000 -1.790) 6.822 0.313 ( -9.372 0.000 5.339) 10.786 0.504 ( 0.300 0.000 -1.731) 1.757 0.621 ( -12.912 0.000 -0.418) 12.919 0.941 ( 2.518 0.000 -3.017) 3.930 0.985 ( 5.239 0.000 -1.343) 5.408 1.062 ( -3.191 0.000 0.752) 3.278 1.130 ( -2.350 0.000 -0.795) 2.481 1.187 ( 1.555 0.000 2.504) 2.948 1.241 ( 6.321 0.000 6.169) 8.832 1.429 ( -2.162 0.000 1.616) 2.699 1.436 ( 1.263 0.000 2.538) 2.835 1.549 ( 1.961 0.000 -1.571) 2.513 1.615 ( -0.166 0.000 -3.986) 3.990 1.725 ( 2.128 0.000 1.149) 2.418 1.803 ( 0.374 0.000 -5.822) 5.834 1.912 ( -5.122 0.000 -0.319) 5.132 1.995 ( -1.207 0.000 3.095) 3.322 2.032 ( -0.534 0.000 0.927) 1.070 2.195 ( -0.178 0.000 -3.260) 3.265 2.853 ( -0.200 0.000 1.286) 1.301 2.915 ( 1.096 0.000 0.762) 1.335 3.136 ( -0.418 0.000 0.508) 0.658 3.143 ( -1.859 0.000 -0.906) 2.068 3.189 ( 2.053 0.000 0.343) 2.082 3.219 ( -2.595 0.000 -0.034) 2.595 3.338 ( 0.139 0.000 -0.654) 0.668 3.439 ( 2.093 0.000 0.655) 2.193 5.483 ( -0.595 0.000 0.319) 0.675 5.491 ( 1.261 0.000 -0.885) 1.541 6.036 ( 0.576 0.000 0.740) 0.937 6.051 ( 1.709 0.000 -1.021) 1.991 7.191 ( -0.283 0.000 0.465) 0.544 7.193 ( -0.116 0.000 0.298) 0.320 7.473 ( -1.044 0.000 1.003) 1.448 7.510 ( -1.446 0.000 -1.788) 2.300======================= Grid point 88 (33/130) =======================q-point: (-0.12 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.186 ( -6.869 0.000 5.047) 8.524 0.252 ( -8.184 0.000 11.842) 14.395 0.362 ( -18.214 0.000 3.060) 18.469 0.518 ( 3.401 0.000 -2.037) 3.964 0.972 ( 3.650 0.000 -1.111) 3.816 0.983 ( 1.987 0.000 -5.881) 6.207 1.088 ( -0.846 0.000 -1.668) 1.871 1.089 ( 2.445 0.000 0.208) 2.453 1.240 ( 0.028 0.000 0.032) 0.042 1.375 ( 2.932 0.000 -0.842) 3.051 1.405 ( -2.904 0.000 0.548) 2.956 1.457 ( 1.242 0.000 0.619) 1.387 1.580 ( 3.234 0.000 -0.729) 3.315 1.614 ( 1.722 0.000 2.405) 2.958 1.683 ( -4.466 0.000 -4.371) 6.249 1.740 ( -1.991 0.000 -2.858) 3.484 1.823 ( -4.137 0.000 2.754) 4.970 2.030 ( -0.224 0.000 0.883) 0.911 2.064 ( 2.027 0.000 6.227) 6.548 2.169 ( 0.821 0.000 -2.305) 2.446 2.884 ( 1.656 0.000 2.768) 3.226 2.931 ( 0.404 0.000 -0.047) 0.407 3.113 ( -0.796 0.000 -0.375) 0.880 3.144 ( 0.235 0.000 1.088) 1.114 3.173 ( -2.515 0.000 -0.125) 2.518 3.220 ( 1.408 0.000 0.412) 1.467 3.340 ( 0.489 0.000 -0.030) 0.490 3.474 ( 1.467 0.000 0.347) 1.508 5.474 ( -0.824 0.000 0.441) 0.935 5.504 ( 1.347 0.000 -0.681) 1.509 6.049 ( 0.052 0.000 0.618) 0.620 6.069 ( 1.650 0.000 -0.904) 1.882 7.195 ( -0.152 0.000 0.348) 0.380 7.208 ( 1.272 0.000 3.154) 3.400 7.441 ( -3.458 0.000 -5.080) 6.145 7.464 ( -0.998 0.000 0.432) 1.088======================= Grid point 89 (34/130) =======================q-point: ( 0.00 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.207 ( -0.803 6.025 4.402) 7.505 0.255 ( -3.498 6.850 5.095) 9.226 0.499 ( -1.264 11.105 11.723) 16.197 0.614 ( 2.749 3.510 -3.069) 5.413 0.879 ( -1.358 -3.858 -2.872) 4.998 0.991 ( 1.727 -3.130 1.335) 3.816 1.010 ( -0.943 -1.056 -1.243) 1.884 1.097 ( 0.304 1.352 -1.870) 2.328 1.148 ( 2.980 -0.765 1.302) 3.341 1.288 ( -3.059 -1.770 -6.556) 7.448 1.331 ( -1.148 -2.794 0.393) 3.046 1.524 ( -2.005 0.930 -0.880) 2.379 1.571 ( -1.363 -2.879 -0.881) 3.305 1.626 ( -2.325 -0.605 -0.512) 2.457 1.690 ( 5.153 -0.046 1.049) 5.259 1.783 ( 5.285 0.454 1.304) 5.462 1.852 ( -1.870 1.913 0.737) 2.774 2.032 ( -0.504 0.616 -0.098) 0.802 2.058 ( -2.331 0.244 4.210) 4.818 2.216 ( 1.448 1.380 -1.561) 2.537 2.868 ( -0.804 -0.329 1.000) 1.324 2.963 ( -0.688 1.009 -2.024) 2.364 3.115 ( -0.009 0.315 0.431) 0.534 3.144 ( -0.506 0.903 -0.221) 1.058 3.166 ( 0.346 -0.012 0.870) 0.937 3.236 ( -0.037 -0.469 -0.070) 0.475 3.350 ( 0.244 -0.364 0.336) 0.552 3.461 ( -0.319 -1.376 -0.861) 1.655 5.475 ( -0.479 0.550 0.455) 0.860 5.517 ( 0.353 0.031 -0.340) 0.491 6.048 ( -0.751 0.033 0.162) 0.769 6.083 ( 0.789 -0.171 -0.333) 0.873 7.194 ( -0.075 -0.000 0.475) 0.481 7.237 ( -1.343 -0.400 -0.268) 1.426 7.397 ( 3.215 -0.571 1.107) 3.448 7.447 ( -0.584 -0.309 -0.318) 0.733======================= Grid point 90 (35/130) =======================q-point: ( 0.12 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.302 ( 3.342 1.408 7.780) 8.584 0.355 ( 7.719 3.854 1.362) 8.734 0.599 ( -0.291 7.332 7.552) 10.530 0.638 ( 1.676 2.618 1.754) 3.570 0.847 ( 1.832 -2.449 -3.284) 4.487 0.980 ( -0.855 -0.632 -0.567) 1.205 1.041 ( 0.141 -2.214 2.396) 3.265 1.092 ( 2.156 1.354 -3.379) 4.231 1.150 ( -5.142 -1.014 -5.752) 7.782 1.200 ( -0.729 -2.463 0.391) 2.598 1.359 ( 3.067 -0.947 1.107) 3.395 1.379 ( -2.748 -0.050 -4.364) 5.157 1.586 ( -2.854 -0.262 0.544) 2.917 1.626 ( 1.569 -2.732 1.108) 3.339 1.770 ( 3.614 0.844 -0.593) 3.759 1.795 ( 0.227 0.020 -2.269) 2.281 1.894 ( 1.259 -0.742 4.183) 4.431 2.017 ( -0.990 1.134 0.182) 1.516 2.062 ( -1.216 1.659 2.149) 2.975 2.238 ( 2.045 1.104 0.363) 2.352 2.865 ( -0.849 0.120 0.980) 1.302 2.920 ( -1.573 0.975 -1.628) 2.464 3.118 ( 0.140 0.078 0.282) 0.324 3.157 ( 1.595 1.229 0.527) 2.082 3.191 ( 1.251 -0.279 0.875) 1.552 3.215 ( -1.752 -0.486 -0.641) 1.928 3.357 ( -0.256 -0.632 0.956) 1.175 3.435 ( -1.113 -0.673 -1.427) 1.931 5.474 ( -0.043 0.464 0.164) 0.494 5.514 ( -0.364 -0.091 -0.084) 0.385 6.032 ( -1.039 0.123 -0.256) 1.077 6.086 ( -0.344 -0.229 0.027) 0.414 7.197 ( -0.107 0.121 0.452) 0.480 7.215 ( -1.050 0.159 0.208) 1.083 7.436 ( 0.161 -0.111 -0.816) 0.839 7.464 ( 3.306 -1.276 0.019) 3.544======================= Grid point 91 (36/130) =======================q-point: ( 0.25 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.439 ( 2.888 2.330 5.745) 6.839 0.489 ( 7.592 -0.034 -1.285) 7.700 0.661 ( 1.201 1.378 3.453) 3.907 0.689 ( 0.074 2.889 3.912) 4.864 0.859 ( 2.731 -1.527 -3.100) 4.404 0.947 ( -2.245 1.646 -2.347) 3.641 0.995 ( -3.908 1.688 -3.364) 5.426 1.062 ( -1.743 -4.674 3.198) 5.925 1.097 ( 3.016 2.491 -3.961) 5.567 1.171 ( -0.823 -2.504 0.031) 2.636 1.290 ( -0.897 -0.312 -2.702) 2.864 1.483 ( 0.651 0.426 3.947) 4.022 1.557 ( 1.297 -1.757 0.712) 2.297 1.629 ( -0.897 -1.598 0.008) 1.832 1.782 ( 0.141 -1.322 -1.916) 2.332 1.809 ( 2.798 1.270 -2.003) 3.668 1.950 ( 0.502 -0.566 3.278) 3.364 2.009 ( -0.318 0.606 0.297) 0.746 2.062 ( -0.267 1.431 0.375) 1.503 2.279 ( 1.708 -0.273 0.426) 1.782 2.859 ( -0.964 0.268 0.865) 1.323 2.878 ( -1.536 0.850 -1.140) 2.093 3.126 ( 0.327 -0.041 0.020) 0.330 3.174 ( -1.928 -0.101 -0.298) 1.954 3.199 ( 2.054 0.346 1.036) 2.326 3.224 ( 1.901 -0.043 0.311) 1.927 3.355 ( -1.035 -1.251 0.092) 1.626 3.403 ( -1.001 0.506 -0.686) 1.315 5.476 ( 0.199 0.229 -0.189) 0.357 5.504 ( -0.845 -0.134 0.095) 0.861 6.011 ( -0.872 0.246 -0.419) 0.998 6.072 ( -1.304 -0.228 0.135) 1.330 7.199 ( -0.257 0.251 0.414) 0.548 7.204 ( -0.512 0.072 0.248) 0.573 7.437 ( 1.027 0.124 -0.743) 1.274 7.512 ( 2.518 -0.858 -0.147) 2.664======================= Grid point 92 (37/130) =======================q-point: ( 0.38 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.494 ( -0.181 6.091 0.764) 6.141 0.568 ( 3.383 1.189 -1.876) 4.046 0.693 ( -0.848 0.639 0.383) 1.129 0.734 ( -1.119 0.723 5.729) 5.882 0.874 ( 4.713 -3.800 -4.047) 7.282 0.885 ( 0.743 0.866 -2.682) 2.914 0.954 ( -0.902 1.996 0.909) 2.371 1.060 ( -0.914 -2.714 0.034) 2.864 1.106 ( -1.291 -2.334 1.984) 3.324 1.198 ( 2.880 0.046 1.000) 3.049 1.272 ( 0.201 1.156 0.401) 1.240 1.458 ( -2.428 -0.175 -0.196) 2.442 1.580 ( -1.790 -0.922 0.449) 2.064 1.673 ( 3.915 -1.227 2.180) 4.646 1.742 ( -1.839 -0.321 -2.795) 3.361 1.821 ( 2.308 0.955 -3.780) 4.531 1.979 ( -0.824 -1.201 2.368) 2.780 2.013 ( 0.143 -0.747 0.659) 1.007 2.064 ( 0.319 1.161 -0.235) 1.227 2.292 ( 0.532 -1.313 -1.655) 2.179 2.849 ( -0.935 0.733 -0.204) 1.205 2.855 ( -0.612 0.651 0.985) 1.330 3.115 ( -1.000 -0.995 -0.159) 1.419 3.160 ( -0.192 1.017 0.325) 1.085 3.238 ( 1.102 -1.052 0.499) 1.603 3.258 ( 1.619 -0.076 -0.217) 1.635 3.331 ( -0.479 0.018 -0.684) 0.835 3.388 ( -0.823 0.675 0.403) 1.138 5.477 ( 0.356 0.060 -0.393) 0.534 5.490 ( -0.877 -0.122 0.127) 0.894 5.997 ( -0.252 0.297 -0.162) 0.422 6.050 ( -1.281 -0.130 0.033) 1.288 7.197 ( -0.350 0.220 0.291) 0.506 7.201 ( -0.236 0.157 0.205) 0.350 7.453 ( 1.183 0.204 -0.053) 1.202 7.544 ( 1.493 -0.695 -0.314) 1.677======================= Grid point 93 (38/130) =======================q-point: (-0.50 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.491 ( 0.042 7.797 -0.464) 7.811 0.559 ( -3.131 3.865 0.015) 4.974 0.653 ( -2.808 0.880 -1.867) 3.486 0.755 ( 0.503 -1.695 1.746) 2.486 0.884 ( 1.443 -3.618 -4.781) 6.167 0.938 ( 3.792 -0.805 2.346) 4.531 1.002 ( 2.979 1.848 4.334) 5.575 1.032 ( -0.614 -0.236 -2.022) 2.126 1.081 ( -5.100 -4.748 3.724) 7.901 1.258 ( 2.076 0.974 1.121) 2.552 1.303 ( 0.597 0.252 3.354) 3.416 1.423 ( -0.502 -1.309 -1.490) 2.046 1.567 ( -0.086 0.124 1.096) 1.106 1.664 ( -3.190 -0.321 -3.265) 4.576 1.737 ( 2.677 -1.201 -1.381) 3.243 1.808 ( 1.537 1.783 -3.822) 4.489 1.974 ( -1.876 -1.732 1.208) 2.825 2.023 ( -0.297 -1.603 1.078) 1.954 2.063 ( -0.145 1.557 -0.329) 1.598 2.267 ( 0.180 -1.439 -3.421) 3.715 2.842 ( -0.149 0.077 0.527) 0.553 2.863 ( 0.232 1.007 1.168) 1.560 3.111 ( 0.407 -0.867 0.636) 1.150 3.157 ( -0.480 0.683 -0.094) 0.840 3.231 ( -1.293 -1.353 -0.923) 2.086 3.267 ( 0.377 -0.182 -0.781) 0.886 3.344 ( 1.136 0.780 0.947) 1.672 3.378 ( -0.459 0.738 0.077) 0.872 5.480 ( -0.228 -0.116 -0.071) 0.265 5.481 ( 0.415 -0.021 -0.214) 0.467 6.000 ( 0.448 0.233 0.331) 0.604 6.035 ( -0.250 -0.006 -0.221) 0.334 7.196 ( -0.178 0.292 0.258) 0.428 7.199 ( -0.217 0.187 0.067) 0.294 7.470 ( 0.305 0.121 0.666) 0.742 7.553 ( 0.105 -0.678 -0.577) 0.896======================= Grid point 94 (39/130) =======================q-point: (-0.38 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.453 ( -4.480 3.226 -0.269) 5.528 0.492 ( -5.110 7.497 0.819) 9.110 0.569 ( -3.116 1.382 -3.296) 4.742 0.794 ( -2.633 0.738 3.265) 4.259 0.839 ( 2.343 -4.541 -4.902) 7.081 0.977 ( -0.045 0.377 -1.525) 1.572 1.022 ( -2.615 -5.068 -0.143) 5.705 1.065 ( 2.934 -0.779 3.546) 4.668 1.121 ( 3.610 1.849 6.324) 7.513 1.273 ( -1.698 2.133 0.969) 2.894 1.354 ( 1.017 -1.275 3.821) 4.155 1.413 ( 0.146 -1.411 -0.531) 1.515 1.557 ( -2.187 -1.420 -2.375) 3.527 1.620 ( 1.546 0.073 0.758) 1.723 1.727 ( 1.703 -0.127 -5.506) 5.765 1.804 ( 1.245 0.112 -2.173) 2.507 1.947 ( -2.648 -1.180 0.858) 3.024 2.024 ( -1.097 -0.945 1.321) 1.960 2.051 ( -0.659 1.961 -0.551) 2.140 2.231 ( 0.154 -0.835 -3.566) 3.666 2.847 ( -0.156 -0.066 0.569) 0.593 2.889 ( 1.331 0.611 1.000) 1.773 3.131 ( -0.134 -0.851 0.295) 0.911 3.152 ( 1.112 0.261 0.296) 1.180 3.196 ( -1.418 0.133 -0.895) 1.682 3.253 ( -1.323 -0.244 -0.474) 1.426 3.349 ( -0.854 0.046 -0.073) 0.858 3.399 ( 1.899 0.656 0.669) 2.118 5.479 ( 0.540 -0.200 -0.459) 0.736 5.486 ( 0.152 0.052 0.125) 0.204 6.017 ( 0.755 0.118 0.698) 1.035 6.037 ( 0.948 0.037 -0.633) 1.140 7.195 ( -0.191 0.219 -0.021) 0.291 7.198 ( -0.013 0.417 0.303) 0.516 7.476 ( -0.671 -0.033 1.008) 1.212 7.536 ( -1.210 -0.824 -0.886) 1.711======================= Grid point 95 (40/130) =======================q-point: (-0.25 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.364 ( -5.812 5.497 -1.202) 8.090 0.398 ( -6.018 7.044 2.651) 9.637 0.496 ( -1.565 0.187 -2.774) 3.190 0.687 ( -8.880 4.906 0.320) 10.150 0.885 ( 3.962 -4.084 -1.520) 5.889 0.962 ( -2.914 -5.451 1.163) 6.289 0.997 ( 3.263 0.230 -2.088) 3.880 1.127 ( 0.847 -2.360 0.481) 2.553 1.227 ( -2.640 4.010 0.364) 4.815 1.272 ( 3.830 0.035 6.050) 7.161 1.387 ( -3.168 -3.272 1.444) 4.778 1.432 ( 3.346 0.353 3.018) 4.520 1.532 ( 2.166 -1.040 -1.528) 2.848 1.614 ( -0.772 -0.272 -2.952) 3.063 1.747 ( 3.610 0.061 -0.111) 3.612 1.775 ( -0.560 -1.883 -4.771) 5.160 1.899 ( -4.060 0.606 0.790) 4.180 2.016 ( -1.568 0.688 2.021) 2.649 2.039 ( -0.276 1.046 -0.037) 1.082 2.201 ( 0.529 0.275 -2.727) 2.791 2.851 ( -0.049 -0.022 0.753) 0.755 2.924 ( 1.750 0.514 0.456) 1.880 3.118 ( -0.664 -0.726 -0.244) 1.014 3.169 ( -0.963 1.312 0.002) 1.627 3.190 ( 1.779 0.158 0.353) 1.820 3.217 ( -2.230 -0.153 0.071) 2.237 3.336 ( -0.062 -0.122 -0.505) 0.523 3.436 ( 1.611 -0.305 0.466) 1.705 5.484 ( 0.019 0.011 -0.089) 0.092 5.490 ( 0.695 0.003 -0.262) 0.743 6.036 ( 0.528 -0.004 0.687) 0.866 6.051 ( 1.599 0.003 -0.867) 1.819 7.192 ( -0.194 0.187 0.040) 0.273 7.204 ( 0.282 0.739 0.529) 0.952 7.471 ( -1.086 -0.213 0.904) 1.429 7.493 ( -2.318 -1.323 -1.603) 3.114======================= Grid point 96 (41/130) =======================q-point: (-0.12 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.244 ( -5.097 7.296 -1.471) 9.021 0.349 ( -8.824 5.380 5.891) 11.896 0.443 ( -4.049 7.133 3.708) 9.002 0.591 ( 0.344 5.528 -0.848) 5.604 0.923 ( 0.465 -3.311 -1.964) 3.878 0.939 ( 2.608 -4.577 -0.853) 5.337 1.038 ( 1.459 -1.925 -0.122) 2.418 1.122 ( -0.301 -2.162 -0.714) 2.297 1.158 ( -4.446 1.151 -1.160) 4.737 1.344 ( -1.280 -3.925 0.362) 4.144 1.382 ( -0.427 -2.297 0.198) 2.345 1.473 ( 1.283 1.485 0.230) 1.976 1.589 ( 3.766 0.727 0.251) 3.844 1.629 ( 2.309 -1.974 3.817) 4.878 1.690 ( -0.820 1.443 -3.724) 4.077 1.733 ( -3.923 -1.700 -4.041) 5.883 1.870 ( -0.357 4.102 0.656) 4.170 2.034 ( -1.029 -0.599 5.054) 5.193 2.036 ( -0.125 0.488 0.069) 0.508 2.199 ( 2.325 1.137 -1.770) 3.135 2.863 ( -0.084 -0.403 1.352) 1.414 2.959 ( 2.282 0.668 -0.353) 2.404 3.111 ( -0.062 -0.074 0.095) 0.135 3.162 ( -0.324 1.236 0.424) 1.346 3.172 ( -2.262 -0.069 -0.015) 2.263 3.223 ( 1.020 0.312 0.213) 1.088 3.339 ( 0.788 -0.336 -0.122) 0.865 3.460 ( 0.886 -1.126 0.023) 1.433 5.480 ( -0.641 0.414 0.556) 0.944 5.505 ( 1.387 0.044 -0.437) 1.455 6.049 ( 0.121 -0.019 0.599) 0.612 6.069 ( 1.498 -0.075 -0.715) 1.662 7.191 ( -0.136 0.070 0.349) 0.381 7.225 ( 1.299 0.668 1.143) 1.855 7.417 ( -3.793 -1.114 -2.354) 4.601 7.460 ( -1.003 -0.338 0.382) 1.125======================= Grid point 97 (42/130) =======================q-point: ( 0.00 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.381 ( -1.452 9.083 -1.201) 9.277 0.408 ( 0.208 7.916 1.243) 8.016 0.644 ( 3.725 2.552 -0.024) 4.515 0.697 ( -2.412 1.960 1.041) 3.278 0.839 ( -0.663 3.303 2.792) 4.376 0.914 ( -0.247 -4.083 2.738) 4.922 0.989 ( 0.783 -1.266 -2.302) 2.741 1.097 ( 0.697 -0.831 -0.564) 1.222 1.134 ( 0.661 -1.055 -1.274) 1.782 1.245 ( -1.685 -2.171 -3.243) 4.251 1.277 ( -0.621 -2.057 1.778) 2.789 1.484 ( -2.528 -5.218 -2.239) 6.215 1.543 ( 0.053 0.741 -0.302) 0.802 1.607 ( -2.314 -1.216 -1.959) 3.267 1.705 ( 4.125 1.446 1.262) 4.549 1.798 ( 3.142 1.197 2.404) 4.133 1.900 ( -2.393 2.408 -1.378) 3.664 2.045 ( -0.056 0.367 -0.451) 0.584 2.089 ( -0.403 2.310 4.106) 4.728 2.229 ( 1.044 0.083 0.454) 1.142 2.872 ( -0.239 0.558 0.341) 0.696 2.964 ( -0.041 -0.602 -1.255) 1.392 3.125 ( -0.270 0.610 0.579) 0.883 3.154 ( 0.357 -0.041 0.727) 0.810 3.180 ( 0.084 1.468 -0.582) 1.582 3.230 ( -0.592 -0.139 -0.351) 0.702 3.337 ( 0.287 -0.794 0.410) 0.939 3.427 ( -0.068 -1.992 -0.788) 2.143 5.486 ( -0.375 0.402 0.400) 0.680 5.515 ( 0.280 -0.278 -0.272) 0.479 6.049 ( -0.561 0.031 0.168) 0.586 6.076 ( 0.550 -0.494 -0.152) 0.755 7.199 ( 0.088 0.470 0.155) 0.503 7.232 ( -0.366 -0.181 -0.445) 0.604 7.395 ( 1.243 0.180 0.700) 1.438 7.438 ( -0.417 -0.536 -0.253) 0.725======================= Grid point 98 (43/130) =======================q-point: ( 0.12 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.398 ( 3.090 6.079 1.666) 7.020 0.453 ( 3.612 5.830 -0.535) 6.879 0.651 ( -0.581 -0.719 -2.331) 2.507 0.688 ( 0.904 1.144 1.483) 2.079 0.873 ( -0.006 3.972 2.843) 4.885 0.930 ( -1.994 -3.949 4.731) 6.477 1.012 ( 2.066 -0.561 0.076) 2.143 1.074 ( -0.125 -2.117 -3.587) 4.167 1.126 ( -1.596 -1.648 -1.157) 2.569 1.190 ( -1.404 1.227 -1.953) 2.700 1.336 ( 5.173 -1.279 2.416) 5.851 1.367 ( -3.583 -0.948 -5.846) 6.922 1.557 ( 0.462 -3.016 -0.131) 3.054 1.581 ( -0.973 -1.001 1.155) 1.811 1.758 ( 0.590 0.068 -0.044) 0.595 1.839 ( 1.688 2.609 -2.478) 3.974 1.891 ( 0.399 0.377 4.305) 4.340 2.032 ( -0.344 0.371 -0.854) 0.993 2.111 ( -1.615 2.700 2.813) 4.220 2.252 ( 0.476 0.217 1.316) 1.416 2.870 ( -0.457 0.432 0.480) 0.791 2.933 ( -1.325 0.132 -1.684) 2.147 3.126 ( -0.086 0.735 0.712) 1.026 3.182 ( 0.734 0.368 0.007) 0.821 3.186 ( 1.454 0.493 0.995) 1.829 3.205 ( -1.384 -0.435 -0.970) 1.745 3.341 ( -0.374 -0.799 0.507) 1.017 3.415 ( -0.049 -1.312 -1.088) 1.705 5.484 ( -0.213 0.365 0.126) 0.441 5.510 ( -0.543 -0.286 0.010) 0.614 6.036 ( -0.929 0.249 -0.134) 0.971 6.078 ( -0.385 -0.566 0.058) 0.686 7.203 ( 0.079 0.379 0.238) 0.454 7.218 ( -0.559 0.177 -0.336) 0.676 7.433 ( 0.468 -0.186 -0.619) 0.797 7.442 ( 2.832 -0.840 0.552) 3.005======================= Grid point 99 (44/130) =======================q-point: ( 0.25 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.467 ( 5.911 -1.750 -5.346) 8.160 0.536 ( 4.974 6.352 3.882) 8.953 0.647 ( 1.170 -1.418 0.966) 2.077 0.723 ( 1.569 0.452 0.399) 1.681 0.887 ( -0.721 1.975 1.158) 2.401 0.952 ( -2.180 -4.095 5.030) 6.842 0.994 ( -2.250 1.610 -3.343) 4.340 1.051 ( -1.497 2.776 -0.542) 3.200 1.074 ( -2.481 -3.553 0.036) 4.334 1.149 ( 0.881 0.083 -1.920) 2.114 1.285 ( -0.075 0.083 -3.501) 3.503 1.474 ( 5.643 -1.924 3.640) 6.985 1.545 ( -1.067 0.669 -0.499) 1.354 1.584 ( 0.048 -1.856 0.970) 2.095 1.742 ( -0.690 -1.763 -1.255) 2.272 1.852 ( 2.227 2.351 -2.617) 4.164 1.936 ( -0.383 -0.807 3.275) 3.394 2.022 ( -0.389 0.719 0.014) 0.818 2.099 ( -1.866 1.916 0.851) 2.807 2.266 ( -0.365 -1.049 0.697) 1.311 2.868 ( -0.445 0.542 0.591) 0.917 2.894 ( -1.113 0.639 -1.369) 1.876 3.127 ( -1.015 0.142 0.046) 1.025 3.175 ( -0.407 0.202 -0.035) 0.456 3.198 ( 0.713 -0.482 0.280) 0.905 3.224 ( 1.575 -0.110 0.752) 1.749 3.336 ( -0.134 -0.344 -0.273) 0.459 3.405 ( -0.095 -0.304 -0.518) 0.608 5.481 ( -0.084 0.197 -0.164) 0.270 5.499 ( -0.911 -0.289 0.229) 0.983 6.018 ( -0.816 0.420 -0.278) 0.959 6.065 ( -1.144 -0.496 0.073) 1.249 7.206 ( -0.060 0.267 0.236) 0.361 7.208 ( -0.312 0.334 -0.155) 0.482 7.441 ( 1.216 0.236 -0.554) 1.357 7.492 ( 2.522 -1.067 0.123) 2.741======================= Grid point 100 (45/130) =======================q-point: ( 0.38 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.503 ( 5.982 -2.519 -5.626) 8.589 0.657 ( 1.787 2.508 3.067) 4.347 0.695 ( 2.945 1.891 1.798) 3.935 0.742 ( 1.485 -1.279 -1.539) 2.492 0.873 ( -2.447 3.621 1.025) 4.489 0.906 ( -0.579 0.490 -4.398) 4.463 0.979 ( -3.032 -2.148 5.870) 6.947 1.000 ( -1.348 1.690 0.974) 2.371 1.047 ( -2.872 -3.857 1.275) 4.975 1.184 ( 3.277 -1.244 -0.956) 3.633 1.275 ( 1.249 -0.695 -0.027) 1.430 1.492 ( -3.534 3.068 -0.197) 4.684 1.568 ( 1.635 0.260 0.539) 1.741 1.637 ( 4.087 -2.310 1.489) 4.925 1.710 ( -0.919 -2.553 -2.470) 3.669 1.848 ( 1.487 1.071 -3.653) 4.086 1.954 ( -0.863 -0.922 2.284) 2.610 2.006 ( -2.189 0.437 0.998) 2.445 2.086 ( -0.034 0.798 -0.006) 0.798 2.253 ( -0.691 -2.412 -1.161) 2.765 2.863 ( -0.597 0.657 -0.793) 1.190 2.874 ( -0.148 0.960 0.402) 1.051 3.101 ( -1.198 -0.369 -0.117) 1.259 3.180 ( 0.004 0.933 0.307) 0.982 3.206 ( -0.308 -1.905 0.310) 1.954 3.251 ( 1.259 -0.509 -0.228) 1.378 3.342 ( 1.177 0.970 -0.030) 1.525 3.398 ( -0.477 0.204 0.073) 0.524 5.478 ( 0.121 0.014 -0.301) 0.325 5.486 ( -0.869 -0.192 0.227) 0.918 6.005 ( -0.312 0.475 -0.101) 0.577 6.045 ( -1.057 -0.306 0.020) 1.101 7.203 ( -0.080 0.296 -0.060) 0.312 7.206 ( -0.158 0.328 0.159) 0.397 7.459 ( 1.178 0.403 -0.065) 1.247 7.526 ( 1.482 -1.059 -0.186) 1.831======================= Grid point 101 (46/130) =======================q-point: (-0.50 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.538 ( 2.292 -0.416 -2.161) 3.177 0.652 ( -1.275 -0.735 -1.197) 1.898 0.709 ( -0.162 4.316 -3.518) 5.570 0.738 ( -2.129 0.219 -0.587) 2.219 0.847 ( -1.213 1.633 1.058) 2.293 0.925 ( 4.129 -0.535 0.777) 4.235 0.985 ( -2.389 -2.475 4.595) 5.740 1.008 ( -2.536 -2.601 0.491) 3.665 1.046 ( 1.812 2.112 5.347) 6.028 1.215 ( 1.820 -3.953 -0.606) 4.393 1.309 ( -0.127 -0.148 2.032) 2.042 1.437 ( -0.314 2.559 -1.551) 3.008 1.585 ( -0.437 1.423 -0.199) 1.502 1.640 ( -2.300 -1.844 -2.303) 3.741 1.712 ( 2.318 -1.683 -0.640) 2.935 1.827 ( 1.339 -0.375 -4.579) 4.786 1.960 ( -1.282 0.659 2.141) 2.581 1.988 ( -0.824 -1.148 1.217) 1.865 2.087 ( 0.013 0.664 -0.138) 0.678 2.226 ( 0.072 -2.576 -2.542) 3.620 2.848 ( 0.035 0.482 -0.596) 0.767 2.881 ( 0.395 0.625 0.323) 0.807 3.097 ( 0.406 -0.441 0.675) 0.903 3.170 ( -0.749 0.271 -0.828) 1.149 3.200 ( -0.540 -1.333 0.079) 1.440 3.261 ( 0.222 -0.504 -0.532) 0.766 3.364 ( 0.273 1.086 0.755) 1.351 3.393 ( 0.115 0.600 0.183) 0.638 5.477 ( -0.287 -0.149 0.002) 0.323 5.480 ( 0.328 -0.054 -0.126) 0.355 6.007 ( 0.327 0.386 0.278) 0.577 6.034 ( -0.161 -0.111 -0.119) 0.229 7.203 ( 0.107 0.369 0.040) 0.387 7.204 ( -0.181 0.332 0.014) 0.378 7.474 ( 0.235 0.287 0.449) 0.582 7.535 ( 0.008 -1.033 -0.465) 1.133======================= Grid point 102 (47/130) =======================q-point: (-0.38 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.513 ( -3.090 2.290 0.221) 3.852 0.606 ( -2.710 1.936 -1.429) 3.624 0.631 ( -3.743 4.868 -3.693) 7.166 0.731 ( 3.409 -4.075 -2.658) 5.941 0.839 ( -3.064 2.179 3.604) 5.208 0.929 ( -2.932 -2.244 0.931) 3.808 0.983 ( 0.420 -1.559 -1.376) 2.121 1.059 ( 3.144 0.105 2.702) 4.147 1.145 ( 1.742 -0.394 5.536) 5.816 1.232 ( -0.008 -2.159 2.150) 3.047 1.322 ( 1.329 -1.925 1.203) 2.630 1.450 ( 0.226 2.858 0.008) 2.867 1.524 ( -1.803 -1.815 -3.333) 4.202 1.614 ( -1.014 -0.214 1.542) 1.858 1.715 ( 0.713 -0.942 -2.746) 2.989 1.796 ( 1.326 -0.671 -5.018) 5.233 1.958 ( -1.724 1.983 2.107) 3.368 2.001 ( 0.478 -0.995 1.031) 1.511 2.080 ( -0.383 0.838 -0.600) 1.099 2.205 ( 0.807 -1.773 -2.653) 3.291 2.849 ( 0.340 0.247 -0.159) 0.449 2.897 ( 1.357 0.028 -0.036) 1.358 3.116 ( 0.232 -0.571 0.276) 0.675 3.157 ( 1.059 0.148 -0.323) 1.117 3.192 ( -0.403 -0.379 0.002) 0.554 3.245 ( -1.419 -0.549 -0.460) 1.589 3.358 ( -1.330 0.868 0.416) 1.641 3.410 ( 0.998 0.383 0.411) 1.145 5.476 ( 0.409 -0.108 -0.318) 0.529 5.486 ( 0.267 -0.073 0.153) 0.317 6.020 ( 0.653 0.213 0.563) 0.889 6.037 ( 0.812 -0.039 -0.445) 0.926 7.201 ( -0.125 0.374 -0.104) 0.408 7.207 ( 0.287 0.456 0.172) 0.566 7.476 ( -0.783 0.015 0.710) 1.057 7.516 ( -1.512 -1.033 -0.747) 1.978======================= Grid point 103 (48/130) =======================q-point: (-0.25 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.476 ( -2.174 4.305 0.370) 4.837 0.536 ( -5.640 5.204 3.045) 8.256 0.538 ( 0.837 4.977 -7.299) 8.874 0.740 ( -0.231 -1.725 -1.886) 2.566 0.834 ( -2.265 1.309 4.396) 5.116 0.891 ( -2.007 -1.791 0.334) 2.711 0.995 ( 2.575 -0.448 -1.198) 2.875 1.088 ( -0.263 -0.825 -1.098) 1.398 1.196 ( -0.030 -5.855 3.075) 6.614 1.288 ( 0.299 1.052 3.012) 3.205 1.335 ( -3.986 -1.510 -0.102) 4.264 1.440 ( 3.314 -1.045 3.437) 4.888 1.528 ( 2.156 0.978 -1.018) 2.577 1.595 ( -2.120 -1.574 -0.533) 2.694 1.713 ( 1.812 -1.387 -1.782) 2.895 1.763 ( 1.074 0.411 -4.361) 4.511 1.944 ( -2.151 2.874 1.864) 4.045 2.018 ( 0.215 -0.190 0.858) 0.904 2.065 ( -0.298 1.244 -0.715) 1.466 2.197 ( 1.169 -0.757 -1.770) 2.252 2.855 ( 0.496 0.402 0.137) 0.653 2.926 ( 2.061 -0.392 -0.175) 2.105 3.110 ( -0.106 -0.015 -0.365) 0.380 3.186 ( -0.287 0.317 0.201) 0.473 3.194 ( 1.620 0.032 0.294) 1.647 3.211 ( -1.557 -0.448 0.134) 1.625 3.338 ( -0.995 0.530 -0.145) 1.137 3.427 ( 0.528 -0.595 0.219) 0.825 5.483 ( 0.768 -0.028 -0.322) 0.833 5.491 ( 0.185 0.023 0.228) 0.295 6.037 ( 0.499 0.055 0.531) 0.731 6.050 ( 1.308 -0.120 -0.602) 1.445 7.198 ( -0.060 0.471 -0.110) 0.488 7.217 ( 0.554 0.452 0.285) 0.770 7.465 ( -1.239 -0.331 0.625) 1.426 7.469 ( -2.752 -0.917 -1.093) 3.100======================= Grid point 104 (49/130) =======================q-point: (-0.12 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.419 ( -1.762 8.701 -2.246) 9.157 0.462 ( -4.834 5.899 -0.054) 7.626 0.565 ( 4.625 4.270 -0.001) 6.295 0.709 ( -2.068 3.976 1.696) 4.792 0.843 ( -1.771 -1.442 2.166) 3.148 0.882 ( 0.779 -1.948 0.695) 2.210 1.019 ( 0.608 0.114 -1.812) 1.915 1.071 ( 0.917 -2.577 -0.570) 2.794 1.185 ( -3.345 0.184 -1.471) 3.659 1.255 ( -0.368 -4.341 0.096) 4.357 1.317 ( -2.922 -3.248 2.061) 4.831 1.507 ( -1.508 -1.627 -0.286) 2.237 1.552 ( 2.148 -1.618 0.964) 2.857 1.607 ( 3.613 0.912 1.578) 4.047 1.686 ( -1.178 -1.112 -3.533) 3.886 1.747 ( 0.800 2.193 -1.152) 2.603 1.938 ( -0.691 2.579 0.049) 2.671 2.034 ( -0.001 0.271 2.319) 2.335 2.060 ( 0.029 1.741 0.531) 1.820 2.207 ( 1.518 -0.274 -0.598) 1.654 2.867 ( 0.349 0.584 0.443) 0.812 2.956 ( 1.840 -0.688 -0.546) 2.039 3.113 ( 0.553 0.321 0.220) 0.676 3.167 ( -1.767 -0.230 0.198) 1.793 3.188 ( -0.254 1.042 -0.253) 1.102 3.230 ( 0.683 0.280 0.395) 0.837 3.329 ( 0.197 -0.434 -0.153) 0.501 3.432 ( 0.115 -1.584 -0.227) 1.604 5.487 ( -0.324 0.288 0.450) 0.625 5.504 ( 1.221 -0.143 -0.281) 1.261 6.048 ( 0.190 -0.036 0.442) 0.482 6.065 ( 1.123 -0.301 -0.457) 1.249 7.197 ( -0.000 0.530 -0.001) 0.530 7.231 ( 0.635 0.045 0.141) 0.652 7.408 ( -2.547 0.012 -0.821) 2.677 7.451 ( -1.042 -0.579 0.267) 1.221======================= Grid point 105 (50/130) =======================q-point: ( 0.00 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.532 ( -1.950 5.868 -0.362) 6.194 0.568 ( 1.045 6.538 -1.327) 6.752 0.676 ( 1.407 0.389 0.376) 1.507 0.686 ( 0.705 1.156 -3.591) 3.838 0.827 ( -1.464 -4.109 1.971) 4.787 0.934 ( 1.799 -3.927 -1.852) 4.700 0.970 ( -3.194 5.385 2.896) 6.898 1.091 ( 1.424 -1.014 1.939) 2.611 1.101 ( -1.499 -0.006 -4.111) 4.376 1.208 ( 1.730 -1.680 0.369) 2.440 1.261 ( 0.612 0.558 1.258) 1.506 1.377 ( -1.286 -4.866 -0.850) 5.104 1.549 ( -1.177 -0.065 -1.444) 1.864 1.579 ( -1.909 -1.444 -2.701) 3.609 1.749 ( 2.832 2.695 1.579) 4.216 1.817 ( 1.791 0.242 2.201) 2.848 1.950 ( -1.613 2.635 -1.184) 3.308 2.039 ( -0.195 -1.000 -0.415) 1.100 2.140 ( 0.083 2.551 3.682) 4.481 2.220 ( 0.450 -1.019 2.262) 2.521 2.889 ( -0.069 1.091 -0.143) 1.103 2.944 ( 0.146 -1.298 -0.788) 1.526 3.137 ( 0.297 0.589 0.594) 0.887 3.152 ( 0.201 -0.132 0.569) 0.617 3.210 ( 0.404 1.204 -0.662) 1.433 3.229 ( -1.216 0.024 -0.335) 1.261 3.326 ( 0.248 -0.016 0.196) 0.317 3.383 ( -0.023 -2.202 -0.665) 2.300 5.492 ( -0.147 0.219 0.133) 0.295 5.506 ( 0.224 -0.521 -0.207) 0.603 6.050 ( -0.295 0.123 0.143) 0.350 6.065 ( 0.270 -0.577 -0.025) 0.638 7.211 ( 0.117 0.654 -0.115) 0.675 7.229 ( -0.044 -0.174 -0.437) 0.473 7.402 ( 0.490 0.477 0.342) 0.765 7.426 ( -0.188 -0.637 -0.124) 0.675======================= Grid point 106 (51/130) =======================q-point: ( 0.12 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.488 ( -0.529 3.504 -3.717) 5.135 0.583 ( 1.214 4.235 0.510) 4.435 0.664 ( 0.233 3.707 -1.323) 3.943 0.700 ( 1.902 0.904 -0.664) 2.209 0.834 ( -0.517 -4.349 2.743) 5.168 0.921 ( 0.621 -1.897 -1.248) 2.354 0.980 ( -2.057 -1.089 3.058) 3.843 1.030 ( -0.725 -2.185 -2.791) 3.617 1.145 ( 0.903 2.873 0.795) 3.115 1.202 ( -1.596 -0.135 -0.875) 1.825 1.309 ( 2.923 -0.815 0.031) 3.035 1.351 ( 0.795 -0.917 -2.389) 2.680 1.514 ( -0.242 -1.049 -0.702) 1.285 1.550 ( 0.207 -1.850 0.263) 1.880 1.787 ( -0.819 2.392 0.894) 2.682 1.867 ( 1.249 -0.354 0.945) 1.606 1.922 ( -0.260 2.861 0.305) 2.889 2.026 ( -0.131 -1.137 -0.890) 1.450 2.164 ( -2.057 2.492 3.269) 4.597 2.244 ( -1.007 -1.056 2.516) 2.908 2.883 ( -0.321 0.892 -0.021) 0.948 2.926 ( -0.849 -0.795 -1.093) 1.596 3.146 ( -0.045 1.202 0.949) 1.532 3.177 ( 1.344 -0.316 0.693) 1.545 3.194 ( -1.611 -0.099 -0.792) 1.798 3.204 ( -0.554 0.083 -0.276) 0.625 3.333 ( 0.455 0.205 -0.029) 0.500 3.384 ( 0.896 -1.654 -0.786) 2.039 5.489 ( -0.253 0.202 0.009) 0.324 5.503 ( -0.453 -0.448 -0.023) 0.637 6.042 ( -0.711 0.370 -0.045) 0.802 6.064 ( -0.400 -0.702 0.047) 0.809 7.212 ( 0.054 0.466 -0.038) 0.471 7.221 ( -0.202 0.076 -0.440) 0.490 7.429 ( 1.191 -0.184 -0.147) 1.214 7.431 ( 1.790 -0.286 0.231) 1.827======================= Grid point 107 (52/130) =======================q-point: ( 0.25 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.455 ( 3.467 1.497 -5.974) 7.067 0.608 ( -0.560 -2.083 2.550) 3.340 0.674 ( 1.813 5.009 0.284) 5.335 0.740 ( 3.873 3.051 -0.880) 5.008 0.860 ( -1.062 -3.726 3.666) 5.334 0.923 ( -0.008 0.250 -0.351) 0.431 0.958 ( -2.239 -4.393 0.795) 4.994 1.014 ( 0.605 -2.128 -0.702) 2.321 1.110 ( -3.727 2.637 -1.390) 4.773 1.176 ( -0.190 1.346 -0.866) 1.612 1.293 ( -0.598 1.264 -2.584) 2.938 1.415 ( 5.593 -3.433 1.169) 6.666 1.549 ( 3.094 -0.186 1.263) 3.347 1.569 ( 0.468 -0.515 1.183) 1.373 1.744 ( -3.371 2.280 -0.945) 4.178 1.868 ( -0.855 -1.550 -1.060) 2.063 1.942 ( 0.914 2.148 1.201) 2.625 2.027 ( 0.615 -0.537 0.087) 0.821 2.139 ( -3.736 2.170 1.529) 4.583 2.235 ( -2.471 -2.042 1.159) 3.408 2.881 ( -0.151 0.674 0.217) 0.724 2.901 ( -0.714 -0.046 -0.848) 1.109 3.135 ( -1.991 0.713 -0.180) 2.123 3.179 ( -0.164 -0.679 -0.374) 0.792 3.185 ( 0.104 0.128 0.535) 0.559 3.215 ( 1.126 -0.769 0.799) 1.580 3.344 ( 1.122 0.944 -0.355) 1.508 3.391 ( 0.699 -0.974 -0.470) 1.288 5.483 ( -0.285 0.099 -0.139) 0.332 5.493 ( -0.736 -0.321 0.148) 0.816 6.027 ( -0.748 0.534 -0.176) 0.936 6.053 ( -0.905 -0.659 -0.020) 1.120 7.211 ( -0.070 0.287 -0.081) 0.306 7.215 ( -0.093 0.241 -0.198) 0.325 7.447 ( 1.509 0.376 -0.298) 1.583 7.472 ( 2.257 -0.867 0.140) 2.422======================= Grid point 108 (53/130) =======================q-point: ( 0.38 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.479 ( 5.453 0.933 -4.055) 6.859 0.623 ( -0.645 -3.675 1.583) 4.053 0.700 ( 1.351 0.390 -0.809) 1.622 0.811 ( 2.393 4.592 1.729) 5.459 0.849 ( -2.432 -4.330 0.368) 4.980 0.907 ( -0.493 0.586 -0.632) 0.993 0.948 ( -0.805 -3.132 1.711) 3.658 1.020 ( -0.980 -0.056 0.667) 1.186 1.055 ( -0.505 3.670 0.795) 3.789 1.150 ( -0.467 -2.010 -2.162) 2.989 1.292 ( 1.452 3.539 0.829) 3.914 1.518 ( 3.310 -2.622 1.137) 4.373 1.562 ( -0.271 -0.647 -0.244) 0.743 1.624 ( 2.983 0.634 0.728) 3.135 1.674 ( -2.640 1.005 -1.843) 3.373 1.829 ( -1.462 -2.970 -1.853) 3.794 1.968 ( 0.712 2.281 0.769) 2.510 2.027 ( -1.753 0.991 0.764) 2.153 2.096 ( -1.632 0.588 0.404) 1.781 2.195 ( -2.101 -3.219 -0.575) 3.887 2.876 ( -0.290 0.618 -0.890) 1.122 2.887 ( -0.169 0.297 -0.018) 0.342 3.103 ( -1.246 0.613 -0.074) 1.390 3.163 ( -0.937 -2.054 -0.154) 2.263 3.202 ( 0.342 0.969 0.467) 1.128 3.238 ( 1.083 -0.750 -0.039) 1.318 3.364 ( 1.362 1.085 0.179) 1.750 3.396 ( 0.162 -0.371 0.036) 0.406 5.478 ( -0.138 -0.017 -0.196) 0.240 5.483 ( -0.604 -0.170 0.131) 0.641 6.016 ( -0.375 0.543 -0.070) 0.664 6.038 ( -0.753 -0.467 -0.026) 0.887 7.209 ( 0.044 0.294 -0.161) 0.338 7.213 ( -0.088 0.204 -0.014) 0.223 7.469 ( 1.212 0.614 -0.065) 1.361 7.504 ( 1.404 -1.056 -0.094) 1.759======================= Grid point 109 (54/130) =======================q-point: (-0.50 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.530 ( 2.999 0.451 -0.835) 3.145 0.618 ( -0.521 -2.721 -0.025) 2.770 0.701 ( 0.753 -0.587 -2.285) 2.477 0.766 ( -3.557 -0.897 -1.162) 3.848 0.863 ( -1.048 0.857 1.259) 1.849 0.910 ( 1.626 -0.969 -0.545) 1.970 0.955 ( -1.413 -1.516 2.161) 2.994 1.011 ( -0.327 1.270 0.832) 1.553 1.088 ( 0.815 1.568 2.742) 3.262 1.153 ( 2.492 -1.449 1.103) 3.086 1.324 ( -0.201 3.096 1.439) 3.420 1.502 ( -0.883 3.492 -1.498) 3.901 1.556 ( -2.190 -4.388 -2.923) 5.709 1.646 ( -0.770 0.817 0.026) 1.123 1.664 ( 2.318 -1.336 0.513) 2.724 1.793 ( 0.644 -2.862 -2.918) 4.137 1.980 ( 0.061 1.850 0.561) 1.935 2.007 ( -1.018 2.105 1.166) 2.613 2.090 ( -0.208 -0.297 0.226) 0.427 2.164 ( -0.069 -3.441 -1.516) 3.761 2.861 ( 0.088 0.711 -1.143) 1.349 2.886 ( 0.199 -0.211 -0.447) 0.533 3.097 ( 0.226 0.452 0.455) 0.680 3.148 ( -0.237 -1.773 -0.630) 1.896 3.202 ( -0.502 1.010 0.104) 1.133 3.247 ( -0.024 -0.894 -0.305) 0.944 3.385 ( 0.052 0.857 0.696) 1.106 3.401 ( 0.314 0.128 0.440) 0.556 5.475 ( -0.097 -0.032 -0.039) 0.109 5.478 ( 0.127 -0.128 -0.070) 0.193 6.015 ( 0.208 0.432 0.180) 0.512 6.030 ( -0.029 -0.268 -0.032) 0.271 7.210 ( 0.150 0.268 -0.097) 0.322 7.211 ( -0.004 0.246 -0.052) 0.252 7.482 ( 0.130 0.515 0.189) 0.564 7.514 ( -0.025 -1.017 -0.285) 1.056======================= Grid point 110 (55/130) =======================q-point: (-0.38 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.541 ( -0.952 1.006 0.580) 1.502 0.621 ( 0.033 -0.732 0.343) 0.810 0.682 ( 0.173 0.985 -2.568) 2.756 0.712 ( 0.177 1.417 -2.508) 2.886 0.857 ( -2.543 0.520 2.934) 3.918 0.918 ( -0.141 -0.109 -0.331) 0.376 0.943 ( -0.768 -1.859 0.679) 2.123 1.017 ( 0.826 -4.268 -0.541) 4.381 1.144 ( 0.649 1.926 3.436) 3.992 1.230 ( 1.596 -0.389 4.586) 4.872 1.318 ( 0.678 2.323 -0.869) 2.571 1.456 ( -3.908 -2.356 -2.889) 5.401 1.509 ( 1.260 0.941 -0.372) 1.616 1.599 ( -3.611 -2.004 0.228) 4.136 1.709 ( 1.961 1.132 -0.067) 2.265 1.786 ( 2.559 -0.841 -3.926) 4.761 1.991 ( 0.099 1.162 1.012) 1.544 2.009 ( -0.362 1.675 0.626) 1.825 2.088 ( -0.004 0.153 -0.142) 0.209 2.158 ( 1.327 -2.764 -1.747) 3.529 2.857 ( 0.656 0.587 -0.683) 1.114 2.889 ( 1.123 -0.707 -0.674) 1.489 3.112 ( 0.740 0.256 0.112) 0.790 3.148 ( 1.429 -1.037 -0.576) 1.858 3.194 ( -0.670 0.640 0.400) 1.009 3.230 ( -1.367 -0.852 -0.322) 1.643 3.380 ( -1.267 1.157 0.606) 1.820 3.412 ( 0.096 -0.230 0.475) 0.536 5.475 ( 0.364 0.060 -0.189) 0.415 5.483 ( 0.344 -0.223 0.054) 0.414 6.025 ( 0.578 0.256 0.328) 0.712 6.035 ( 0.670 -0.172 -0.215) 0.724 7.209 ( 0.045 0.378 -0.117) 0.399 7.214 ( 0.355 0.200 0.010) 0.408 7.477 ( -0.989 0.182 0.323) 1.057 7.497 ( -1.494 -0.807 -0.455) 1.758======================= Grid point 111 (56/130) =======================q-point: (-0.25 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.543 ( 0.636 3.028 0.676) 3.167 0.614 ( -0.259 1.997 -0.352) 2.044 0.645 ( -0.897 4.402 -2.977) 5.389 0.713 ( 1.464 0.440 -1.310) 2.013 0.843 ( -2.864 -0.470 3.534) 4.573 0.896 ( -1.415 1.631 -0.035) 2.160 0.967 ( 1.585 -2.129 1.645) 3.123 1.043 ( 2.579 -6.334 -0.213) 6.843 1.141 ( -1.782 3.306 -0.946) 3.874 1.279 ( -1.389 -1.414 3.493) 4.016 1.323 ( -3.010 -0.187 -2.390) 3.848 1.385 ( 0.766 -3.632 0.590) 3.759 1.542 ( 1.366 0.092 1.417) 1.970 1.564 ( -0.766 -1.267 1.474) 2.089 1.725 ( 1.162 2.255 -1.996) 3.228 1.783 ( 1.663 0.871 -3.303) 3.799 1.993 ( -1.711 1.780 1.735) 3.018 2.014 ( 1.010 -0.057 -0.109) 1.017 2.089 ( 0.502 1.201 -0.364) 1.352 2.168 ( 1.535 -2.065 -0.988) 2.756 2.867 ( 1.024 0.769 -0.165) 1.291 2.910 ( 1.886 -1.081 -0.433) 2.216 3.119 ( 0.543 0.884 -0.476) 1.142 3.176 ( 0.849 -1.359 -0.381) 1.647 3.194 ( 0.769 0.216 0.601) 1.000 3.204 ( -1.000 -0.229 0.306) 1.070 3.358 ( -1.681 1.326 0.151) 2.147 3.411 ( -0.616 -0.997 0.167) 1.184 5.483 ( 0.748 0.032 -0.209) 0.778 5.489 ( 0.317 -0.198 0.111) 0.390 6.038 ( 0.527 0.111 0.267) 0.601 6.046 ( 0.950 -0.228 -0.327) 1.031 7.209 ( 0.129 0.561 -0.136) 0.592 7.222 ( 0.483 0.049 0.037) 0.487 7.457 ( -2.402 -0.314 -0.576) 2.490 7.459 ( -1.490 -0.291 0.294) 1.547======================= Grid point 112 (57/130) =======================q-point: (-0.12 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.554 ( -1.243 4.755 1.253) 5.072 0.594 ( 0.030 5.833 -4.244) 7.214 0.630 ( 2.521 2.613 -0.134) 3.633 0.716 ( -0.081 -0.338 -1.072) 1.127 0.834 ( -1.750 -2.024 1.782) 3.215 0.896 ( 0.322 2.285 2.316) 3.269 1.015 ( 1.083 -2.307 0.515) 2.600 1.045 ( -0.860 1.562 -1.124) 2.108 1.144 ( 2.813 -2.538 1.418) 4.046 1.207 ( -3.689 -1.120 -4.904) 6.238 1.273 ( -3.060 -0.659 2.156) 3.800 1.401 ( -1.189 -5.692 0.968) 5.895 1.567 ( 0.220 0.563 0.129) 0.618 1.606 ( 1.666 -1.246 1.317) 2.462 1.708 ( 0.850 3.190 -2.402) 4.083 1.781 ( 1.021 0.808 -0.377) 1.356 1.981 ( -0.993 1.797 -0.158) 2.059 2.034 ( 0.507 -0.466 0.910) 1.142 2.102 ( 0.734 2.269 1.255) 2.695 2.189 ( 1.184 -1.515 0.678) 2.038 2.884 ( 0.758 1.025 0.076) 1.277 2.936 ( 1.513 -1.287 -0.447) 2.036 3.125 ( 0.562 0.831 -0.027) 1.004 3.160 ( -1.130 -0.546 -0.022) 1.255 3.204 ( 0.625 0.656 -0.153) 0.919 3.229 ( 1.189 -0.412 0.544) 1.370 3.332 ( -1.125 0.881 -0.178) 1.440 3.397 ( -0.836 -1.823 -0.249) 2.021 5.491 ( 0.091 0.084 0.162) 0.205 5.499 ( 0.835 -0.334 -0.200) 0.921 6.048 ( 0.268 0.040 0.223) 0.351 6.058 ( 0.727 -0.394 -0.221) 0.856 7.210 ( 0.138 0.691 -0.143) 0.720 7.229 ( 0.360 -0.182 -0.149) 0.430 7.413 ( -1.789 0.447 -0.297) 1.868 7.438 ( -1.152 -0.674 0.119) 1.340======================= Grid point 113 (58/130) =======================q-point: ( 0.00 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.617 ( -1.082 -2.065 -1.559) 2.804 0.617 ( -1.082 2.065 -1.559) 2.804 0.697 ( 0.670 -2.778 1.831) 3.394 0.697 ( 0.670 2.778 1.831) 3.394 0.827 ( 0.774 -5.284 -3.852) 6.585 0.827 ( 0.774 5.284 -3.852) 6.585 1.044 ( -3.015 -2.454 0.148) 3.891 1.044 ( -3.015 2.454 0.148) 3.891 1.157 ( 2.774 -3.405 0.642) 4.439 1.157 ( 2.774 3.405 0.642) 4.439 1.298 ( 0.302 -2.916 0.481) 2.971 1.298 ( 0.302 2.916 0.481) 2.971 1.554 ( -1.802 -0.823 -2.161) 2.931 1.554 ( -1.802 0.823 -2.161) 2.931 1.800 ( 1.706 -1.903 1.914) 3.193 1.800 ( 1.706 1.903 1.914) 3.193 2.004 ( -0.734 -2.406 -0.675) 2.604 2.004 ( -0.734 2.406 -0.675) 2.604 2.188 ( 0.167 -2.074 3.243) 3.853 2.188 ( 0.167 2.074 3.243) 3.853 2.915 ( 0.062 -1.437 -0.434) 1.502 2.915 ( 0.062 1.437 -0.434) 1.502 3.147 ( 0.436 -0.374 0.472) 0.744 3.147 ( 0.436 0.374 0.472) 0.744 3.226 ( -0.502 -0.444 -0.316) 0.741 3.226 ( -0.502 0.444 -0.316) 0.741 3.343 ( 0.045 -1.610 -0.358) 1.650 3.343 ( 0.045 1.610 -0.358) 1.650 5.497 ( 0.088 -0.365 -0.095) 0.387 5.497 ( 0.088 0.365 -0.095) 0.387 6.055 ( -0.015 -0.375 0.076) 0.383 6.055 ( -0.015 0.375 0.076) 0.383 7.223 ( 0.076 -0.448 -0.309) 0.550 7.223 ( 0.076 0.448 -0.309) 0.550 7.413 ( 0.092 -0.614 0.075) 0.626 7.413 ( 0.092 0.614 0.075) 0.626======================= Grid point 115 (59/130) =======================q-point: ( 0.12 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( -1.787 -3.790 -2.447) 4.853 0.566 ( -1.787 3.790 -2.447) 4.853 0.740 ( 1.322 -3.633 2.235) 4.466 0.740 ( 1.322 3.633 2.235) 4.466 0.815 ( 2.249 -6.649 -2.605) 7.487 0.815 ( 2.249 6.649 -2.605) 7.487 0.993 ( -2.394 -1.436 -0.392) 2.819 0.993 ( -2.394 1.436 -0.392) 2.819 1.189 ( -0.085 -1.174 0.441) 1.257 1.189 ( -0.085 1.174 0.441) 1.257 1.321 ( 1.756 -1.665 -0.849) 2.564 1.321 ( 1.756 1.665 -0.849) 2.564 1.517 ( 0.282 -1.156 -0.440) 1.269 1.517 ( 0.282 1.156 -0.440) 1.269 1.838 ( -0.348 -2.259 1.606) 2.793 1.838 ( -0.348 2.259 1.606) 2.793 1.984 ( -0.036 -2.845 -0.763) 2.946 1.984 ( -0.036 2.845 -0.763) 2.946 2.211 ( -1.931 -2.066 3.207) 4.276 2.211 ( -1.931 2.066 3.207) 4.276 2.905 ( -0.497 -1.146 -0.472) 1.335 2.905 ( -0.497 1.146 -0.472) 1.335 3.168 ( 0.970 -0.746 0.899) 1.518 3.168 ( 0.970 0.746 0.899) 1.518 3.197 ( -1.937 -0.462 -0.609) 2.082 3.197 ( -1.937 0.462 -0.609) 2.082 3.351 ( 1.233 -1.414 -0.491) 1.939 3.351 ( 1.233 1.414 -0.491) 1.939 5.494 ( -0.299 -0.345 -0.057) 0.460 5.494 ( -0.299 0.345 -0.057) 0.460 6.051 ( -0.502 -0.569 0.012) 0.759 6.051 ( -0.502 0.569 0.012) 0.759 7.219 ( -0.040 -0.254 -0.288) 0.386 7.219 ( -0.040 0.254 -0.288) 0.386 7.428 ( 1.429 -0.040 0.047) 1.430 7.428 ( 1.429 0.040 0.047) 1.430======================= Grid point 117 (60/130) =======================q-point: ( 0.25 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.527 ( 0.583 -4.795 -2.155) 5.289 0.527 ( 0.583 4.795 -2.155) 5.289 0.772 ( -0.713 -4.763 1.713) 5.111 0.772 ( -0.713 4.763 1.713) 5.111 0.842 ( 2.540 -5.486 -0.444) 6.062 0.842 ( 2.540 5.486 -0.444) 6.062 0.963 ( -0.409 -2.410 -0.128) 2.448 0.963 ( -0.409 2.410 -0.128) 2.448 1.162 ( -2.453 -2.161 -1.182) 3.476 1.162 ( -2.453 2.161 -1.182) 3.476 1.345 ( 3.077 -3.305 -0.694) 4.568 1.345 ( 3.077 3.305 -0.694) 4.568 1.553 ( 2.227 -0.650 1.497) 2.761 1.553 ( 2.227 0.650 1.497) 2.761 1.811 ( -3.116 -3.571 -0.383) 4.755 1.811 ( -3.116 3.571 -0.383) 4.755 1.995 ( 1.304 -2.426 0.223) 2.764 1.995 ( 1.304 2.426 0.223) 2.764 2.187 ( -3.859 -2.472 1.558) 4.841 2.187 ( -3.859 2.472 1.558) 4.841 2.894 ( -0.343 -0.567 -0.194) 0.691 2.894 ( -0.343 0.567 -0.194) 0.691 3.155 ( -1.984 -1.222 -0.391) 2.362 3.155 ( -1.984 1.222 -0.391) 2.362 3.198 ( 1.245 -0.804 0.696) 1.637 3.198 ( 1.245 0.804 0.696) 1.637 3.368 ( 1.233 -1.274 -0.406) 1.819 3.368 ( 1.233 1.274 -0.406) 1.819 5.487 ( -0.471 -0.247 -0.032) 0.533 5.487 ( -0.471 0.247 -0.032) 0.533 6.039 ( -0.751 -0.641 -0.103) 0.993 6.039 ( -0.751 0.641 -0.103) 0.993 7.216 ( -0.063 -0.121 -0.190) 0.234 7.216 ( -0.063 0.121 -0.190) 0.234 7.457 ( 1.875 -0.591 -0.040) 1.966 7.457 ( 1.875 0.591 -0.040) 1.966======================= Grid point 119 (61/130) =======================q-point: ( 0.38 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.537 ( 1.965 -4.196 -0.724) 4.689 0.537 ( 1.965 4.196 -0.724) 4.689 0.752 ( -2.412 -4.269 0.367) 4.917 0.752 ( -2.412 4.269 0.367) 4.917 0.875 ( 1.585 -2.166 -0.316) 2.702 0.875 ( 1.585 2.166 -0.316) 2.702 0.978 ( 0.544 -3.637 1.510) 3.976 0.978 ( 0.544 3.637 1.510) 3.976 1.109 ( -1.101 -2.070 -1.458) 2.760 1.109 ( -1.101 2.070 -1.458) 2.760 1.406 ( 3.364 -6.527 0.609) 7.368 1.406 ( 3.364 6.527 0.609) 7.368 1.591 ( 0.578 -2.250 0.272) 2.339 1.591 ( 0.578 2.250 0.272) 2.339 1.750 ( -2.533 -4.417 -0.979) 5.185 1.750 ( -2.533 4.417 -0.979) 5.185 2.018 ( 0.714 -1.948 0.312) 2.098 2.018 ( 0.714 1.948 0.312) 2.098 2.131 ( -3.266 -2.807 0.198) 4.311 2.131 ( -3.266 2.807 0.198) 4.311 2.886 ( -0.250 -0.348 -0.457) 0.626 2.886 ( -0.250 0.348 -0.457) 0.626 3.125 ( -1.151 -1.541 -0.144) 1.929 3.125 ( -1.151 1.541 -0.144) 1.929 3.221 ( 0.758 -0.920 0.209) 1.210 3.221 ( 0.758 0.920 0.209) 1.210 3.384 ( 0.858 -0.801 0.142) 1.183 3.384 ( 0.858 0.801 0.142) 1.183 5.479 ( -0.339 -0.148 -0.055) 0.374 5.479 ( -0.339 0.148 -0.055) 0.374 6.027 ( -0.504 -0.545 -0.059) 0.745 6.027 ( -0.504 0.545 -0.059) 0.745 7.213 ( -0.002 -0.112 -0.129) 0.171 7.213 ( -0.002 0.112 -0.129) 0.171 7.484 ( 1.296 -0.852 -0.063) 1.553 7.484 ( 1.296 0.852 -0.063) 1.553======================= Grid point 121 (62/130) =======================q-point: (-0.50 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.561 ( 0.956 -2.381 0.346) 2.589 0.561 ( 0.956 2.381 0.346) 2.589 0.719 ( -0.877 -2.160 -0.608) 2.410 0.719 ( -0.877 2.160 -0.608) 2.410 0.887 ( 0.672 -1.148 -0.685) 1.496 0.887 ( 0.672 1.148 -0.685) 1.496 0.979 ( -1.810 -3.067 0.322) 3.576 0.979 ( -1.810 3.067 0.322) 3.576 1.123 ( 2.231 -1.873 1.979) 3.522 1.123 ( 2.231 1.873 1.979) 3.522 1.438 ( -0.483 -6.606 -0.430) 6.637 1.438 ( -0.483 6.606 -0.430) 6.637 1.580 ( -1.119 -3.866 -0.783) 4.100 1.580 ( -1.119 3.866 -0.783) 4.100 1.722 ( 0.751 -3.722 -0.852) 3.891 1.722 ( 0.751 3.722 -0.852) 3.891 2.025 ( 0.061 -1.300 0.016) 1.301 2.025 ( 0.061 1.300 0.016) 1.301 2.099 ( -0.535 -2.217 -0.015) 2.281 2.099 ( -0.535 2.217 -0.015) 2.281 2.876 ( 0.038 -0.685 -0.961) 1.180 2.876 ( 0.038 0.685 -0.961) 1.180 3.115 ( 0.065 -1.325 -0.039) 1.327 3.115 ( 0.065 1.325 -0.039) 1.327 3.225 ( -0.299 -1.160 -0.153) 1.207 3.225 ( -0.299 1.160 -0.153) 1.207 3.398 ( 0.190 -0.405 0.639) 0.780 3.398 ( 0.190 0.405 0.639) 0.780 5.476 ( 0.030 -0.116 -0.073) 0.140 5.476 ( 0.030 0.116 -0.073) 0.140 6.024 ( 0.098 -0.387 0.063) 0.404 6.024 ( 0.098 0.387 0.063) 0.404 7.213 ( 0.107 -0.051 -0.106) 0.159 7.213 ( 0.107 0.051 -0.106) 0.159 7.495 ( 0.028 -0.786 -0.062) 0.789 7.495 ( 0.028 0.786 -0.062) 0.789======================= Grid point 123 (63/130) =======================q-point: (-0.38 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.580 ( 0.594 -2.717 1.046) 2.972 0.580 ( 0.594 2.717 1.046) 2.972 0.710 ( 0.611 -1.212 -1.001) 1.687 0.710 ( 0.611 1.212 -1.001) 1.687 0.895 ( 1.021 -2.145 -0.021) 2.376 0.895 ( 1.021 2.145 -0.021) 2.376 0.939 ( -2.241 -2.361 -0.662) 3.322 0.939 ( -2.241 2.361 -0.662) 3.322 1.195 ( 1.648 -2.524 3.939) 4.960 1.195 ( 1.648 2.524 3.939) 4.960 1.391 ( -2.224 -3.821 -2.756) 5.210 1.391 ( -2.224 3.821 -2.756) 5.210 1.547 ( -2.003 -2.573 0.402) 3.286 1.547 ( -2.003 2.573 0.402) 3.286 1.751 ( 3.038 -2.390 -1.160) 4.036 1.751 ( 3.038 2.390 -1.160) 4.036 2.021 ( -0.569 -0.897 0.140) 1.072 2.021 ( -0.569 0.897 0.140) 1.072 2.104 ( 1.172 -1.986 -0.524) 2.365 2.104 ( 1.172 1.986 -0.524) 2.365 2.872 ( 0.843 -0.848 -0.831) 1.456 2.872 ( 0.843 0.848 -0.831) 1.456 3.125 ( 1.231 -1.010 -0.187) 1.603 3.125 ( 1.231 1.010 -0.187) 1.603 3.211 ( -1.069 -0.975 -0.009) 1.447 3.211 ( -1.069 0.975 -0.009) 1.447 3.401 ( -0.709 -0.840 0.603) 1.254 3.401 ( -0.709 0.840 0.603) 1.254 5.478 ( 0.359 -0.207 -0.084) 0.423 5.478 ( 0.359 0.207 -0.084) 0.423 6.030 ( 0.579 -0.250 0.048) 0.633 6.030 ( 0.579 0.250 0.048) 0.633 7.215 ( 0.241 -0.147 -0.083) 0.294 7.215 ( 0.241 0.147 -0.083) 0.294 7.484 ( -1.260 -0.467 -0.080) 1.346 7.484 ( -1.260 0.467 -0.080) 1.346======================= Grid point 125 (64/130) =======================q-point: (-0.25 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.605 ( 1.143 -2.634 0.668) 2.948 0.605 ( 1.143 2.634 0.668) 2.948 0.707 ( -0.088 -2.038 -0.868) 2.217 0.707 ( -0.088 2.038 -0.868) 2.217 0.888 ( -1.750 -4.270 -0.455) 4.637 0.888 ( -1.750 4.270 -0.455) 4.637 0.943 ( 2.890 -2.097 1.377) 3.826 0.943 ( 2.890 2.097 1.377) 3.826 1.227 ( -1.801 -4.042 0.480) 4.451 1.227 ( -1.801 4.042 0.480) 4.451 1.329 ( -1.630 -1.264 -1.368) 2.475 1.329 ( -1.630 1.264 -1.368) 2.475 1.546 ( 0.483 -0.512 2.031) 2.150 1.546 ( 0.483 0.512 2.031) 2.150 1.774 ( 1.466 -1.836 -2.003) 3.088 1.774 ( 1.466 1.836 -2.003) 3.088 2.014 ( -0.517 -0.285 0.498) 0.772 2.014 ( -0.517 0.285 0.498) 0.772 2.122 ( 1.511 -2.148 -0.413) 2.659 2.122 ( 1.511 2.148 -0.413) 2.659 2.886 ( 1.487 -1.109 -0.339) 1.886 2.886 ( 1.487 1.109 -0.339) 1.886 3.144 ( 0.999 -1.543 -0.508) 1.907 3.144 ( 0.999 1.543 -0.508) 1.907 3.199 ( -0.183 -0.258 0.482) 0.577 3.199 ( -0.183 0.258 0.482) 0.577 3.387 ( -1.447 -1.358 0.209) 1.995 3.387 ( -1.447 1.358 0.209) 1.995 5.485 ( 0.532 -0.184 -0.081) 0.568 5.485 ( 0.532 0.184 -0.081) 0.568 6.042 ( 0.665 -0.203 -0.037) 0.696 6.042 ( 0.665 0.203 -0.037) 0.696 7.219 ( 0.326 -0.338 -0.090) 0.478 7.219 ( 0.326 0.338 -0.090) 0.478 7.455 ( -1.897 -0.082 -0.111) 1.902 7.455 ( -1.897 0.082 -0.111) 1.902======================= Grid point 127 (65/130) =======================q-point: (-0.12 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( 1.009 -2.046 -0.429) 2.321 0.627 ( 1.009 2.046 -0.429) 2.321 0.691 ( -0.937 -2.980 0.101) 3.125 0.691 ( -0.937 2.980 0.101) 3.125 0.858 ( -0.470 -4.240 -1.947) 4.690 0.858 ( -0.470 4.240 -1.947) 4.690 1.025 ( 2.986 -2.408 3.152) 4.966 1.025 ( 2.986 2.408 3.152) 4.966 1.163 ( -2.281 -2.927 -3.111) 4.843 1.163 ( -2.281 2.927 -3.111) 4.843 1.304 ( -1.500 -3.508 0.843) 3.908 1.304 ( -1.500 3.508 0.843) 3.908 1.580 ( 0.395 -0.990 0.769) 1.315 1.580 ( 0.395 0.990 0.769) 1.315 1.769 ( 0.749 -2.101 -0.841) 2.384 1.769 ( 0.749 2.101 -0.841) 2.384 2.014 ( -0.195 -1.397 0.187) 1.423 2.014 ( -0.195 1.397 0.187) 1.423 2.149 ( 1.185 -2.285 1.368) 2.915 2.149 ( 1.185 2.285 1.368) 2.915 2.908 ( 1.145 -1.342 -0.170) 1.772 2.908 ( 1.145 1.342 -0.170) 1.772 3.144 ( -0.121 -0.980 -0.196) 1.006 3.144 ( -0.121 0.980 -0.196) 1.006 3.217 ( 1.208 -0.657 0.307) 1.409 3.217 ( 1.208 0.657 0.307) 1.409 3.360 ( -1.485 -1.732 -0.204) 2.290 3.360 ( -1.485 1.732 -0.204) 2.290 5.493 ( 0.461 -0.198 -0.081) 0.508 5.493 ( 0.461 0.198 -0.081) 0.508 6.051 ( 0.430 -0.249 0.002) 0.497 6.051 ( 0.430 0.249 0.002) 0.497 7.223 ( 0.251 -0.486 -0.193) 0.580 7.223 ( 0.251 0.486 -0.193) 0.580 7.424 ( -1.380 -0.629 -0.051) 1.517 7.424 ( -1.380 0.629 -0.051) 1.517======================= Grid point 153 (66/130) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.313 ( -6.973 0.000 7.439) 10.196 0.418 ( -2.487 0.000 9.646) 9.962 0.529 ( 7.085 0.000 -1.921) 7.341 0.598 ( -2.035 0.000 12.602) 12.765 0.814 ( 1.250 0.000 -6.944) 7.055 0.981 ( 1.048 0.000 -5.244) 5.348 1.030 ( -3.909 0.000 1.563) 4.210 1.076 ( 2.432 0.000 2.444) 3.448 1.186 ( 4.917 0.000 0.224) 4.922 1.191 ( -0.407 0.000 -5.603) 5.618 1.327 ( 1.125 0.000 -1.700) 2.039 1.430 ( -8.846 0.000 -5.312) 10.319 1.641 ( 2.644 0.000 2.389) 3.563 1.644 ( -2.278 0.000 1.312) 2.629 1.707 ( 0.915 0.000 -0.059) 0.917 1.736 ( 3.914 0.000 -1.178) 4.088 1.942 ( -0.099 0.000 4.691) 4.692 2.027 ( -1.085 0.000 -0.066) 1.087 2.113 ( -4.193 0.000 0.908) 4.290 2.150 ( 4.203 0.000 -1.498) 4.462 2.888 ( -0.617 0.000 0.294) 0.683 2.915 ( -0.506 0.000 -0.857) 0.996 3.122 ( 1.259 0.000 0.495) 1.353 3.131 ( -1.709 0.000 -0.047) 1.710 3.191 ( 0.491 0.000 1.250) 1.343 3.232 ( -0.222 0.000 -0.871) 0.899 3.371 ( 0.516 0.000 1.466) 1.554 3.446 ( -0.559 0.000 -2.035) 2.110 5.478 ( -0.725 0.000 0.681) 0.994 5.506 ( 0.739 0.000 -0.658) 0.990 6.053 ( -1.417 0.000 0.359) 1.462 6.073 ( 1.544 0.000 -0.640) 1.672 7.207 ( -0.224 0.000 0.715) 0.750 7.235 ( -0.938 0.000 -0.620) 1.124 7.420 ( 3.053 0.000 0.483) 3.091 7.441 ( -1.272 0.000 -0.549) 1.385======================= Grid point 154 (67/130) =======================q-point: ( 0.12 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.355 ( 3.585 0.000 2.278) 4.247 0.500 ( 1.208 0.000 7.686) 7.780 0.625 ( 4.381 0.000 -0.529) 4.412 0.672 ( -0.061 0.000 3.928) 3.929 0.800 ( 2.546 0.000 -0.065) 2.547 0.934 ( 2.274 0.000 -7.572) 7.906 0.988 ( -4.208 0.000 1.570) 4.492 1.057 ( -6.954 0.000 -2.305) 7.326 1.156 ( 0.525 0.000 1.447) 1.540 1.186 ( 0.430 0.000 -3.858) 3.882 1.289 ( -1.326 0.000 -2.121) 2.502 1.453 ( 7.789 0.000 5.188) 9.359 1.601 ( -3.376 0.000 0.137) 3.378 1.665 ( -1.613 0.000 0.663) 1.744 1.735 ( 3.212 0.000 -1.594) 3.586 1.757 ( 1.303 0.000 -2.511) 2.829 1.985 ( -0.042 0.000 3.341) 3.341 2.008 ( -1.062 0.000 0.516) 1.181 2.060 ( -1.968 0.000 -0.548) 2.042 2.218 ( 4.542 0.000 -0.682) 4.593 2.885 ( -0.874 0.000 1.136) 1.433 2.889 ( -1.362 0.000 -0.598) 1.488 3.116 ( 0.017 0.000 -0.112) 0.113 3.161 ( 2.408 0.000 0.763) 2.526 3.207 ( -1.524 0.000 -0.840) 1.740 3.210 ( 0.444 0.000 0.788) 0.904 3.393 ( -0.118 0.000 1.770) 1.774 3.406 ( -1.452 0.000 -2.037) 2.502 5.475 ( -0.473 0.000 0.407) 0.624 5.508 ( 0.198 0.000 -0.492) 0.530 6.028 ( -1.658 0.000 0.115) 1.662 6.084 ( 0.259 0.000 -0.376) 0.456 7.211 ( -0.410 0.000 0.936) 1.022 7.218 ( -0.723 0.000 -0.063) 0.726 7.420 ( -0.104 0.000 -0.946) 0.952 7.472 ( 2.942 0.000 -0.202) 2.948======================= Grid point 155 (68/130) =======================q-point: ( 0.25 0.00 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.431 ( 6.623 0.000 -4.444) 7.976 0.541 ( -6.657 0.000 3.821) 7.675 0.680 ( 3.924 0.000 0.189) 3.929 0.727 ( 6.155 0.000 -2.477) 6.635 0.858 ( -1.921 0.000 6.327) 6.612 0.901 ( 3.067 0.000 -6.578) 7.257 0.919 ( -2.636 0.000 -0.640) 2.712 0.956 ( -0.921 0.000 0.258) 0.957 1.179 ( 1.601 0.000 -0.638) 1.723 1.188 ( 0.904 0.000 2.422) 2.585 1.289 ( -0.634 0.000 2.515) 2.594 1.516 ( -4.424 0.000 0.151) 4.426 1.633 ( -1.905 0.000 -0.270) 1.924 1.643 ( 5.651 0.000 3.824) 6.823 1.732 ( -0.462 0.000 -3.215) 3.249 1.748 ( 1.533 0.000 -3.747) 4.049 2.009 ( 0.694 0.000 -0.128) 0.706 2.016 ( 0.152 0.000 2.312) 2.317 2.037 ( -0.082 0.000 -0.376) 0.385 2.260 ( 2.079 0.000 -2.584) 3.317 2.865 ( -1.310 0.000 0.538) 1.416 2.880 ( -1.305 0.000 1.299) 1.841 3.125 ( 1.029 0.000 -0.101) 1.034 3.168 ( -1.915 0.000 -0.421) 1.961 3.216 ( 2.726 0.000 0.832) 2.851 3.225 ( 1.003 0.000 -0.191) 1.021 3.356 ( -1.900 0.000 -1.622) 2.498 3.403 ( -0.889 0.000 1.523) 1.763 5.470 ( -0.220 0.000 -0.164) 0.275 5.502 ( -0.393 0.000 -0.221) 0.451 6.004 ( -1.154 0.000 0.109) 1.159 6.073 ( -1.050 0.000 -0.287) 1.088 7.208 ( -0.437 0.000 0.055) 0.440 7.211 ( -0.756 0.000 0.813) 1.110 7.425 ( 1.569 0.000 -0.323) 1.602 7.514 ( 2.400 0.000 -0.436) 2.440======================= Grid point 156 (69/130) =======================q-point: ( 0.38 0.00 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.456 ( -5.107 0.000 3.554) 6.222 0.494 ( 6.611 0.000 -4.461) 7.975 0.691 ( -2.436 0.000 -0.497) 2.486 0.797 ( 6.703 0.000 -6.498) 9.336 0.815 ( -4.492 0.000 2.090) 4.954 0.947 ( 4.354 0.000 1.632) 4.650 0.965 ( 1.263 0.000 -2.213) 2.548 0.966 ( 1.816 0.000 5.966) 6.236 1.208 ( 0.129 0.000 2.159) 2.163 1.240 ( 1.122 0.000 2.329) 2.585 1.308 ( -0.435 0.000 4.234) 4.257 1.443 ( -2.259 0.000 -1.976) 3.002 1.608 ( -1.312 0.000 1.145) 1.741 1.672 ( -1.586 0.000 -3.955) 4.261 1.706 ( -0.044 0.000 -6.092) 6.092 1.742 ( 1.753 0.000 2.194) 2.808 2.014 ( 1.112 0.000 -1.938) 2.234 2.036 ( -0.422 0.000 1.403) 1.465 2.051 ( 0.391 0.000 1.722) 1.765 2.238 ( 0.663 0.000 -4.787) 4.833 2.860 ( -0.453 0.000 1.265) 1.344 2.873 ( -1.166 0.000 1.430) 1.845 3.139 ( -1.184 0.000 0.315) 1.226 3.142 ( 0.756 0.000 0.144) 0.770 3.239 ( 1.504 0.000 -1.261) 1.963 3.255 ( 0.509 0.000 -0.329) 0.606 3.321 ( -0.062 0.000 -0.019) 0.065 3.395 ( -1.524 0.000 0.803) 1.723 5.467 ( 0.428 0.000 -0.428) 0.606 5.491 ( -0.746 0.000 -0.056) 0.748 5.995 ( -0.119 0.000 0.323) 0.344 6.048 ( -1.307 0.000 -0.300) 1.341 7.203 ( -0.279 0.000 0.093) 0.294 7.204 ( -0.692 0.000 0.398) 0.798 7.458 ( 1.686 0.000 0.880) 1.901 7.540 ( 1.419 0.000 -0.786) 1.622======================= Grid point 157 (70/130) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.463 ( -2.429 0.000 6.570) 7.004 0.533 ( -0.854 0.000 1.360) 1.606 0.614 ( -4.742 0.000 -1.808) 5.075 0.787 ( 3.623 0.000 -8.431) 9.177 0.820 ( 1.082 0.000 2.127) 2.386 0.932 ( -1.020 0.000 -3.293) 3.447 1.049 ( 3.718 0.000 4.915) 6.163 1.073 ( 2.901 0.000 5.501) 6.219 1.200 ( -3.223 0.000 0.649) 3.288 1.229 ( -2.733 0.000 -0.354) 2.756 1.395 ( 2.779 0.000 4.800) 5.546 1.423 ( 1.305 0.000 0.065) 1.306 1.593 ( -2.306 0.000 -4.213) 4.803 1.604 ( -1.810 0.000 -0.761) 1.963 1.646 ( 2.338 0.000 -3.551) 4.252 1.762 ( 0.744 0.000 -1.680) 1.837 2.013 ( 0.429 0.000 -0.296) 0.521 2.028 ( -1.825 0.000 0.499) 1.892 2.069 ( -0.829 0.000 1.869) 2.045 2.197 ( 0.845 0.000 -4.683) 4.758 2.870 ( -0.943 0.000 1.170) 1.503 2.875 ( 0.662 0.000 1.128) 1.308 3.139 ( 0.326 0.000 0.876) 0.934 3.150 ( -0.082 0.000 0.144) 0.165 3.224 ( -2.335 0.000 -0.784) 2.463 3.247 ( 1.129 0.000 -1.376) 1.780 3.356 ( 2.411 0.000 0.840) 2.553 3.371 ( -1.813 0.000 -0.012) 1.813 5.475 ( 0.837 0.000 -0.201) 0.861 5.478 ( -0.515 0.000 -0.211) 0.557 6.007 ( 0.776 0.000 0.543) 0.948 6.028 ( -0.545 0.000 -0.484) 0.729 7.199 ( -0.337 0.000 0.283) 0.440 7.200 ( -0.261 0.000 0.157) 0.305 7.489 ( 0.380 0.000 1.342) 1.395 7.543 ( 0.143 0.000 -1.172) 1.180======================= Grid point 158 (71/130) =======================q-point: (-0.38 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.410 ( -8.926 0.000 0.442) 8.937 0.499 ( -6.556 0.000 5.158) 8.341 0.551 ( -3.246 0.000 3.387) 4.691 0.723 ( -1.105 0.000 -5.943) 6.044 0.890 ( 0.669 0.000 -2.787) 2.867 0.893 ( 3.598 0.000 0.667) 3.659 1.114 ( -3.158 0.000 -2.516) 4.037 1.159 ( -0.799 0.000 -1.559) 1.752 1.181 ( 1.458 0.000 4.088) 4.341 1.192 ( 3.406 0.000 4.802) 5.887 1.446 ( -0.781 0.000 0.435) 0.894 1.465 ( 0.776 0.000 3.395) 3.483 1.515 ( -1.135 0.000 -4.304) 4.451 1.564 ( 2.052 0.000 -3.006) 3.640 1.702 ( 2.484 0.000 2.976) 3.877 1.746 ( 1.365 0.000 -4.448) 4.653 1.985 ( -3.462 0.000 -0.071) 3.463 2.025 ( 0.117 0.000 1.711) 1.715 2.066 ( -1.785 0.000 2.435) 3.019 2.163 ( 0.475 0.000 -3.893) 3.922 2.868 ( -0.496 0.000 0.906) 1.033 2.901 ( 1.134 0.000 0.446) 1.218 3.145 ( -0.348 0.000 0.103) 0.362 3.158 ( 0.379 0.000 -0.322) 0.498 3.182 ( -1.578 0.000 0.859) 1.797 3.246 ( -0.300 0.000 -0.337) 0.451 3.339 ( -1.211 0.000 -0.573) 1.340 3.405 ( 2.440 0.000 0.441) 2.480 5.471 ( 0.216 0.000 -0.598) 0.636 5.486 ( 0.421 0.000 0.098) 0.433 6.021 ( 0.631 0.000 -0.849) 1.058 6.029 ( 0.996 0.000 0.647) 1.188 7.199 ( -0.157 0.000 0.314) 0.350 7.199 ( -0.136 0.000 0.449) 0.469 7.499 ( -0.812 0.000 1.253) 1.493 7.519 ( -1.172 0.000 -1.729) 2.089======================= Grid point 159 (72/130) =======================q-point: (-0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 130Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.283 ( -3.950 0.000 0.939) 4.060 0.452 ( -5.917 0.000 6.831) 9.037 0.523 ( -4.599 0.000 3.529) 5.797 0.627 ( -8.694 0.000 2.483) 9.042 0.891 ( 0.512 0.000 -6.447) 6.468 0.904 ( 3.224 0.000 -0.895) 3.346 1.059 ( 0.778 0.000 -1.983) 2.130 1.097 ( -1.946 0.000 -2.537) 3.198 1.235 ( 0.454 0.000 1.014) 1.111 1.299 ( 3.431 0.000 -2.566) 4.284 1.437 ( 2.102 0.000 0.933) 2.299 1.450 ( -2.020 0.000 -3.392) 3.948 1.528 ( 2.599 0.000 3.276) 4.182 1.604 ( 1.960 0.000 2.653) 3.298 1.704 ( -1.208 0.000 -3.044) 3.275 1.750 ( -0.293 0.000 0.144) 0.326 1.917 ( -4.554 0.000 1.318) 4.741 2.041 ( -0.222 0.000 0.719) 0.752 2.091 ( 0.271 0.000 5.237) 5.244 2.131 ( 0.687 0.000 -3.388) 3.457 2.879 ( 0.696 0.000 0.877) 1.120 2.919 ( 0.884 0.000 -0.344) 0.949 3.130 ( -1.581 0.000 -0.498) 1.657 3.148 ( 0.238 0.000 0.658) 0.700 3.201 ( 1.134 0.000 0.888) 1.440 3.221 ( -2.625 0.000 0.217) 2.634 3.329 ( 0.560 0.000 -0.186) 0.590 3.444 ( 2.006 0.000 -0.215) 2.017 5.475 ( 1.146 0.000 -0.656) 1.321 5.490 ( -0.358 0.000 0.384) 0.524 6.030 ( 1.634 0.000 -1.069) 1.952 6.051 ( 0.583 0.000 0.759) 0.957 7.200 ( -0.105 0.000 0.373) 0.388 7.210 ( 0.620 0.000 1.170) 1.324 7.463 ( -2.714 0.000 -2.586) 3.748 7.491 ( -1.484 0.000 0.829) 1.700======================= Grid point 160 (73/130) =======================q-point: (-0.12 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.328 ( 1.458 0.000 7.811) 7.946 0.421 ( -10.624 0.000 6.077) 12.239 0.489 ( -0.738 0.000 -0.404) 0.841 0.519 ( -7.528 0.000 11.880) 14.064 0.853 ( 3.637 0.000 -7.234) 8.097 0.968 ( 4.108 0.000 0.174) 4.111 1.048 ( -0.492 0.000 -2.191) 2.245 1.069 ( 2.061 0.000 -1.551) 2.579 1.168 ( -5.400 0.000 -2.736) 6.053 1.260 ( 0.870 0.000 -7.695) 7.744 1.377 ( -2.064 0.000 -2.760) 3.446 1.527 ( 2.762 0.000 3.853) 4.740 1.629 ( 3.838 0.000 2.793) 4.746 1.647 ( -4.776 0.000 -1.791) 5.101 1.673 ( 0.062 0.000 0.849) 0.852 1.679 ( 0.388 0.000 -0.443) 0.589 1.901 ( -1.561 0.000 4.656) 4.911 2.040 ( -0.449 0.000 0.109) 0.462 2.120 ( 2.151 0.000 -2.774) 3.510 2.145 ( -0.974 0.000 3.091) 3.241 2.897 ( 0.456 0.000 -0.538) 0.706 2.924 ( 0.377 0.000 -0.685) 0.782 3.110 ( -0.291 0.000 0.067) 0.298 3.164 ( -0.261 0.000 0.839) 0.879 3.175 ( -2.016 0.000 0.419) 2.059 3.228 ( 1.230 0.000 0.064) 1.232 3.346 ( 0.901 0.000 0.759) 1.178 3.463 ( 0.973 0.000 -1.380) 1.688 5.485 ( -0.812 0.000 0.624) 1.025 5.494 ( 1.560 0.000 -0.520) 1.645 6.051 ( 2.024 0.000 -0.949) 2.236 6.062 ( -0.294 0.000 0.701) 0.760 7.203 ( -0.114 0.000 0.508) 0.520 7.243 ( 1.473 0.000 0.085) 1.475 7.392 ( -1.931 0.000 -0.268) 1.949 7.469 ( -1.662 0.000 0.154) 1.669======================= Grid point 161 (74/130) =======================q-point: ( 0.00 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.347 ( -3.020 2.331 7.244) 8.187 0.385 ( -3.927 0.343 9.051) 9.873 0.549 ( 6.092 1.919 -3.713) 7.388 0.693 ( -1.331 3.658 3.447) 5.199 0.803 ( 0.429 2.393 -0.113) 2.434 1.005 ( 0.110 -1.701 0.691) 1.839 1.019 ( -0.256 0.976 -0.771) 1.270 1.070 ( -0.174 -0.018 1.250) 1.262 1.162 ( -1.164 -1.643 -5.838) 6.175 1.176 ( 4.292 -1.240 0.220) 4.473 1.317 ( 1.340 -1.113 -1.286) 2.165 1.429 ( -8.176 -0.436 -5.794) 10.030 1.615 ( 1.441 -2.268 2.555) 3.708 1.634 ( -1.604 -1.304 1.089) 2.336 1.705 ( 3.768 0.237 0.561) 3.817 1.758 ( 1.276 1.925 -1.964) 3.031 1.924 ( -0.444 -0.875 4.236) 4.348 2.022 ( -0.085 -0.386 -1.007) 1.082 2.121 ( -2.522 1.762 2.620) 4.041 2.191 ( 2.511 2.520 -1.241) 3.768 2.882 ( -0.229 -0.336 0.638) 0.756 2.926 ( -0.591 0.662 -1.721) 1.936 3.126 ( 0.076 0.440 0.634) 0.775 3.141 ( -0.428 0.928 -0.154) 1.033 3.187 ( 0.551 -0.443 1.170) 1.367 3.227 ( -0.424 -0.434 -0.780) 0.989 3.366 ( 0.453 -0.537 1.297) 1.475 3.434 ( -0.395 -1.086 -1.838) 2.171 5.485 ( -0.740 0.526 0.567) 1.070 5.508 ( 0.674 0.137 -0.561) 0.888 6.053 ( -1.301 0.045 0.371) 1.354 6.074 ( 1.376 -0.015 -0.607) 1.504 7.204 ( -0.127 -0.176 0.636) 0.672 7.229 ( -0.618 -0.448 -0.555) 0.944 7.414 ( 2.435 -0.388 0.726) 2.570 7.438 ( -1.143 -0.272 -0.538) 1.293======================= Grid point 162 (75/130) =======================q-point: ( 0.12 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.373 ( 1.510 1.271 0.629) 2.072 0.469 ( 0.955 -0.767 8.768) 8.853 0.621 ( 4.852 -0.384 -1.855) 5.209 0.676 ( 2.722 -1.068 -4.205) 5.121 0.861 ( -0.752 6.411 7.321) 9.761 0.980 ( -2.451 -0.197 -0.077) 2.460 0.999 ( 1.354 4.186 -5.277) 6.870 1.060 ( -4.530 0.158 -2.452) 5.153 1.104 ( -0.645 -3.265 1.980) 3.873 1.182 ( -0.158 -1.512 -1.799) 2.356 1.279 ( -1.750 -1.018 -3.356) 3.919 1.436 ( 7.693 -1.562 4.818) 9.211 1.598 ( -3.722 -0.336 0.502) 3.770 1.643 ( -0.460 -2.554 0.557) 2.654 1.747 ( 1.338 0.724 -2.791) 3.178 1.752 ( 1.923 0.424 -1.169) 2.290 1.966 ( 0.443 -0.651 3.056) 3.156 2.010 ( 0.107 -0.456 -1.096) 1.192 2.093 ( -2.709 2.937 1.252) 4.187 2.235 ( 3.254 1.378 -0.799) 3.623 2.884 ( -0.838 -0.075 1.052) 1.346 2.894 ( -1.206 0.327 -0.960) 1.575 3.122 ( -0.052 0.549 0.099) 0.560 3.168 ( 2.252 0.672 0.488) 2.400 3.199 ( -1.290 -0.636 -0.740) 1.617 3.210 ( 0.465 -0.099 0.784) 0.917 3.377 ( -1.092 -1.245 0.578) 1.754 3.407 ( -0.289 -0.167 -0.913) 0.973 5.479 ( -0.564 0.396 0.342) 0.769 5.510 ( 0.083 0.109 -0.346) 0.372 6.031 ( -1.589 0.221 0.161) 1.612 6.082 ( 0.158 -0.191 -0.361) 0.438 7.209 ( -0.257 -0.116 0.757) 0.808 7.215 ( -0.574 -0.214 -0.168) 0.636 7.420 ( 0.049 0.013 -0.881) 0.882 7.464 ( 2.832 -0.667 0.038) 2.909======================= Grid point 163 (76/130) =======================q-point: ( 0.25 0.12 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.404 ( 5.798 -2.628 -5.657) 8.516 0.564 ( -1.672 2.290 6.011) 6.647 0.675 ( 5.012 -1.083 -2.148) 5.559 0.701 ( 5.003 -1.252 -3.933) 6.486 0.885 ( -3.112 1.595 -1.344) 3.746 0.903 ( -5.455 2.875 5.906) 8.538 0.975 ( -0.067 1.903 -1.050) 2.174 1.004 ( 1.815 4.301 -2.530) 5.310 1.129 ( 1.347 -2.324 3.014) 4.038 1.189 ( 1.025 -1.763 0.643) 2.139 1.272 ( 0.486 -1.614 1.656) 2.363 1.522 ( -4.818 0.616 0.127) 4.859 1.596 ( 2.262 -2.341 2.296) 3.983 1.633 ( 1.489 -1.851 0.954) 2.560 1.733 ( 0.369 -1.357 -3.346) 3.629 1.753 ( 1.421 1.847 -3.145) 3.915 1.998 ( 0.256 -1.146 0.805) 1.423 2.008 ( 0.896 0.265 -0.019) 0.934 2.070 ( -1.245 2.212 0.917) 2.699 2.258 ( 1.340 -0.173 -2.588) 2.920 2.867 ( -1.065 0.244 0.062) 1.094 2.880 ( -1.259 -0.011 1.162) 1.714 3.124 ( -0.044 -0.126 -0.272) 0.303 3.170 ( -0.809 0.239 -0.095) 0.849 3.213 ( 1.893 -0.313 0.302) 1.942 3.231 ( 1.428 0.461 0.295) 1.529 3.343 ( -1.627 -0.984 -1.018) 2.156 3.406 ( -0.570 0.123 0.885) 1.060 5.473 ( -0.311 0.262 -0.137) 0.429 5.504 ( -0.522 0.061 -0.098) 0.535 6.008 ( -1.136 0.334 0.139) 1.193 6.071 ( -1.025 -0.226 -0.262) 1.082 7.206 ( -0.389 -0.162 -0.010) 0.421 7.211 ( -0.499 -0.006 0.628) 0.802 7.427 ( 1.572 0.210 -0.311) 1.616 7.507 ( 2.382 -0.627 -0.335) 2.486======================= Grid point 164 (77/130) =======================q-point: ( 0.38 0.12 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.458 ( 6.373 -1.977 -3.911) 7.735 0.551 ( -1.203 6.675 1.118) 6.874 0.689 ( -1.946 -0.233 -1.560) 2.505 0.762 ( 4.861 -2.998 -3.686) 6.798 0.832 ( -2.536 1.533 0.604) 3.024 0.906 ( 1.377 -0.692 4.111) 4.391 0.991 ( 1.683 2.251 -1.975) 3.435 1.032 ( 0.626 2.657 4.212) 5.019 1.178 ( -1.680 -2.682 3.892) 5.017 1.223 ( 2.144 -2.053 0.651) 3.039 1.312 ( 1.055 0.319 3.720) 3.880 1.443 ( -3.273 0.394 -1.225) 3.517 1.586 ( -0.916 -1.476 0.285) 1.761 1.678 ( -0.264 -0.289 -2.768) 2.795 1.681 ( -0.332 -1.377 -3.895) 4.144 1.759 ( 2.010 0.925 -1.057) 2.452 1.999 ( -0.067 -1.037 -0.271) 1.074 2.027 ( 0.480 -0.447 0.736) 0.985 2.069 ( -0.427 1.180 1.060) 1.643 2.230 ( 0.323 -0.783 -4.420) 4.500 2.856 ( -0.714 -0.316 0.716) 1.059 2.876 ( -0.644 0.222 1.058) 1.258 3.116 ( -0.297 -1.020 0.187) 1.079 3.166 ( -0.415 1.039 0.237) 1.143 3.235 ( 1.197 -0.606 -0.712) 1.519 3.249 ( -0.007 -0.556 -0.733) 0.920 3.327 ( 0.912 0.680 0.277) 1.171 3.399 ( -1.263 0.295 0.611) 1.434 5.469 ( 0.330 0.163 -0.376) 0.526 5.491 ( -0.847 0.009 0.029) 0.847 5.999 ( -0.172 0.321 0.321) 0.485 6.048 ( -1.219 -0.082 -0.253) 1.247 7.201 ( -0.206 -0.079 0.066) 0.230 7.206 ( -0.524 0.138 0.291) 0.615 7.459 ( 1.643 0.090 0.749) 1.808 7.534 ( 1.398 -0.579 -0.716) 1.674======================= Grid point 165 (78/130) =======================q-point: (-0.50 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.500 ( -0.602 2.490 1.741) 3.098 0.578 ( -0.072 3.520 1.619) 3.875 0.613 ( -3.490 0.319 -1.911) 3.991 0.748 ( 1.114 -2.841 -4.340) 5.305 0.833 ( 0.355 1.713 1.672) 2.419 0.960 ( -0.742 1.772 -2.984) 3.549 1.011 ( 3.856 -2.031 3.766) 5.759 1.115 ( 2.227 2.035 5.163) 5.980 1.137 ( -5.449 -3.445 1.698) 6.666 1.265 ( 1.978 -0.031 -0.692) 2.096 1.381 ( 0.504 -1.102 4.386) 4.550 1.404 ( 0.433 -0.802 0.591) 1.086 1.570 ( -1.800 -1.518 -2.945) 3.770 1.615 ( -0.872 0.693 -2.575) 2.806 1.652 ( 1.775 0.348 -2.788) 3.323 1.765 ( 0.738 0.015 -2.336) 2.450 1.991 ( -1.354 -0.842 1.053) 1.911 2.039 ( 0.346 -0.367 -0.086) 0.512 2.070 ( -1.218 0.526 1.495) 1.999 2.190 ( 0.773 -0.759 -4.295) 4.430 2.859 ( -0.293 -0.738 1.038) 1.307 2.879 ( 0.296 0.082 0.363) 0.476 3.127 ( 0.880 -0.803 0.944) 1.520 3.154 ( -0.892 0.126 -0.280) 0.944 3.218 ( -1.705 -0.551 -0.290) 1.815 3.248 ( 0.940 0.028 -1.242) 1.558 3.362 ( 1.302 0.668 0.848) 1.691 3.379 ( -0.860 0.728 -0.060) 1.128 5.476 ( 0.657 0.084 -0.160) 0.681 5.478 ( -0.457 -0.029 -0.140) 0.479 6.009 ( 0.694 0.201 0.531) 0.897 6.029 ( -0.494 0.093 -0.431) 0.662 7.201 ( -0.054 0.116 0.191) 0.230 7.201 ( -0.365 0.119 0.121) 0.403 7.488 ( 0.374 -0.095 1.197) 1.258 7.537 ( 0.062 -0.565 -1.086) 1.226======================= Grid point 166 (79/130) =======================q-point: (-0.38 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.434 ( -7.023 2.602 -2.663) 7.949 0.518 ( -4.951 0.816 3.519) 6.128 0.581 ( -4.838 3.093 2.926) 6.445 0.739 ( 2.448 -0.309 -4.333) 4.986 0.857 ( -1.033 0.730 2.597) 2.889 0.929 ( 1.423 1.167 -2.953) 3.480 1.029 ( -4.208 -5.068 0.119) 6.588 1.115 ( 1.569 -1.885 1.626) 2.943 1.228 ( 4.007 1.910 4.065) 6.019 1.263 ( 0.150 2.626 -1.855) 3.219 1.421 ( 0.504 -1.488 2.842) 3.248 1.451 ( -0.804 -1.279 3.651) 3.951 1.491 ( -0.617 -1.611 -4.268) 4.604 1.575 ( 1.542 0.927 -3.755) 4.164 1.695 ( 2.317 -0.801 1.190) 2.726 1.743 ( 0.722 -0.574 -3.267) 3.395 1.970 ( -3.027 -0.247 1.397) 3.343 2.039 ( 0.193 0.332 -0.408) 0.560 2.064 ( -1.772 0.009 2.663) 3.198 2.164 ( 0.951 -0.002 -3.255) 3.391 2.861 ( -0.370 -0.575 0.699) 0.977 2.898 ( 1.464 -0.287 -0.003) 1.492 3.130 ( -0.954 -0.938 -0.357) 1.385 3.164 ( 1.665 0.086 0.590) 1.769 3.191 ( -1.445 0.642 0.557) 1.676 3.243 ( -0.433 -0.331 -0.475) 0.723 3.344 ( -1.475 0.554 -0.337) 1.611 3.408 ( 1.999 0.307 0.280) 2.042 5.470 ( 0.129 -0.029 -0.445) 0.464 5.488 ( 0.507 0.127 0.126) 0.537 6.023 ( 0.595 0.172 -0.776) 0.993 6.030 ( 0.942 0.064 0.628) 1.134 7.197 ( -0.277 0.026 0.189) 0.336 7.204 ( 0.182 0.316 0.344) 0.502 7.497 ( -0.825 -0.248 1.137) 1.426 7.512 ( -1.397 -0.633 -1.545) 2.177======================= Grid point 167 (80/130) =======================q-point: (-0.25 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.299 ( -3.247 2.372 -2.799) 4.899 0.487 ( -4.138 0.434 4.578) 6.187 0.516 ( -6.028 2.923 3.527) 7.571 0.712 ( -5.502 5.661 3.303) 8.557 0.851 ( 1.016 -1.606 -3.261) 3.774 0.902 ( 1.050 -1.102 -2.949) 3.318 1.018 ( 1.449 -2.171 0.558) 2.669 1.126 ( -0.929 -1.552 -0.154) 1.816 1.218 ( -3.127 1.592 -1.022) 3.655 1.302 ( 2.685 -0.590 -4.349) 5.145 1.410 ( -1.787 -2.029 -2.560) 3.723 1.464 ( 1.650 0.525 3.174) 3.616 1.524 ( 3.523 -0.129 2.226) 4.170 1.612 ( 2.953 0.704 2.838) 4.155 1.681 ( -1.085 -2.095 -3.714) 4.400 1.745 ( -0.583 -1.068 -0.921) 1.526 1.925 ( -3.519 1.369 1.846) 4.203 2.038 ( -0.080 -0.210 -0.166) 0.279 2.081 ( -0.450 -0.384 4.002) 4.046 2.153 ( 1.334 1.341 -1.859) 2.652 2.869 ( 0.361 -0.643 0.738) 1.043 2.921 ( 1.682 0.008 -0.651) 1.803 3.116 ( -0.410 -0.683 0.008) 0.796 3.171 ( -0.487 1.307 0.012) 1.394 3.200 ( 0.445 -0.073 0.657) 0.797 3.223 ( -1.581 0.096 0.459) 1.649 3.328 ( 0.180 -0.042 -0.271) 0.328 3.438 ( 1.483 -0.513 -0.258) 1.590 5.475 ( 1.102 0.090 -0.396) 1.175 5.494 ( -0.156 0.303 0.353) 0.490 6.032 ( 1.540 0.157 -0.926) 1.803 6.051 ( 0.602 -0.016 0.685) 0.912 7.196 ( -0.141 -0.134 0.379) 0.426 7.216 ( 0.694 0.342 0.581) 0.967 7.456 ( -2.903 -0.573 -1.970) 3.555 7.487 ( -1.489 -0.373 0.751) 1.709======================= Grid point 168 (81/130) =======================q-point: (-0.12 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.292 ( -0.412 -0.638 5.560) 5.611 0.428 ( -7.064 1.394 3.620) 8.059 0.512 ( 0.361 2.953 1.718) 3.435 0.657 ( -5.222 8.712 7.550) 12.656 0.837 ( 2.115 -0.444 -5.814) 6.202 0.933 ( 3.923 -2.998 0.518) 4.964 1.051 ( 0.366 -1.155 1.135) 1.661 1.102 ( 0.067 1.589 -1.456) 2.156 1.127 ( -4.557 -1.506 -1.321) 4.978 1.250 ( 0.405 -0.628 -8.193) 8.228 1.354 ( -1.626 -2.087 -2.161) 3.416 1.539 ( 1.415 0.249 3.735) 4.002 1.605 ( 0.382 -1.976 -0.178) 2.020 1.632 ( -0.264 -1.152 0.220) 1.203 1.660 ( -2.919 -1.200 -2.652) 4.123 1.712 ( 3.854 2.232 2.164) 4.952 1.906 ( -2.192 0.943 3.029) 3.856 2.032 ( -0.050 -0.345 -0.586) 0.682 2.114 ( -0.321 0.268 2.500) 2.535 2.172 ( 1.596 1.634 -0.248) 2.298 2.880 ( 0.099 -0.722 0.281) 0.781 2.939 ( 1.369 0.502 -1.460) 2.063 3.115 ( 0.109 0.405 0.310) 0.522 3.167 ( -0.575 0.344 0.277) 0.725 3.177 ( -1.914 0.027 0.385) 1.953 3.228 ( 0.665 0.141 0.074) 0.684 3.342 ( 1.015 -0.474 0.564) 1.255 3.449 ( 0.631 -1.144 -1.138) 1.733 5.491 ( -0.543 0.444 0.581) 0.910 5.496 ( 1.381 0.191 -0.457) 1.467 6.052 ( 1.838 0.080 -0.782) 1.999 6.062 ( -0.168 -0.034 0.572) 0.597 7.200 ( -0.072 -0.214 0.522) 0.569 7.236 ( 0.807 -0.503 -0.149) 0.963 7.394 ( -1.666 0.214 -0.057) 1.681 7.465 ( -1.615 -0.404 0.120) 1.669======================= Grid point 169 (82/130) =======================q-point: ( 0.00 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.405 ( 2.632 4.699 4.097) 6.767 0.459 ( -4.915 4.703 3.167) 7.504 0.593 ( 3.598 2.306 -3.056) 5.253 0.675 ( -0.786 -1.962 -4.612) 5.073 0.940 ( -2.890 4.964 6.124) 8.396 0.965 ( 2.250 0.269 1.211) 2.569 0.991 ( 0.770 -3.518 4.755) 5.965 1.047 ( -0.779 -2.040 -3.576) 4.190 1.131 ( 0.308 -2.291 -0.636) 2.398 1.183 ( 0.460 2.284 -3.312) 4.050 1.286 ( 1.849 -1.662 -0.325) 2.507 1.399 ( -5.971 -2.460 -5.247) 8.321 1.563 ( -0.361 -2.408 1.477) 2.848 1.592 ( 0.290 -2.581 -0.013) 2.597 1.729 ( 2.842 2.072 1.418) 3.792 1.802 ( 0.923 2.354 -1.559) 2.971 1.924 ( -0.720 0.781 3.091) 3.268 2.022 ( 0.065 0.216 -1.668) 1.684 2.170 ( -1.535 2.618 3.759) 4.831 2.237 ( 1.938 1.934 0.086) 2.739 2.879 ( -0.093 0.062 0.505) 0.517 2.931 ( -0.172 -0.191 -1.997) 2.013 3.139 ( -0.548 0.789 0.861) 1.290 3.166 ( 0.659 1.477 -0.282) 1.642 3.176 ( 0.652 -0.531 0.874) 1.213 3.219 ( -1.085 -0.296 -0.869) 1.421 3.350 ( 0.405 -0.940 1.028) 1.451 3.404 ( -0.190 -1.763 -1.473) 2.306 5.493 ( -0.601 0.211 0.397) 0.751 5.509 ( 0.533 -0.179 -0.394) 0.686 6.054 ( -0.967 0.007 0.354) 1.030 6.071 ( 0.975 -0.290 -0.414) 1.099 7.204 ( 0.077 0.133 0.344) 0.376 7.222 ( -0.262 -0.240 -0.552) 0.656 7.409 ( 1.425 -0.113 0.712) 1.597 7.431 ( -0.813 -0.419 -0.453) 1.020======================= Grid point 170 (83/130) =======================q-point: ( 0.12 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.386 ( -2.930 0.057 -3.042) 4.224 0.508 ( 2.439 4.376 6.139) 7.923 0.609 ( 3.379 0.576 -2.221) 4.085 0.675 ( 3.582 0.472 -2.369) 4.321 0.936 ( -2.239 -0.412 3.427) 4.114 0.983 ( -1.724 -3.865 -1.954) 4.662 1.040 ( 0.121 5.417 3.921) 6.688 1.060 ( 0.095 -1.967 3.007) 3.594 1.085 ( -0.725 -1.186 -2.444) 2.812 1.153 ( -1.042 1.273 -2.691) 3.154 1.260 ( -2.454 -0.141 -4.496) 5.124 1.393 ( 6.870 -2.653 3.787) 8.281 1.561 ( -0.965 -2.939 0.502) 3.134 1.601 ( -0.190 -1.701 0.345) 1.746 1.746 ( -1.239 0.990 -1.370) 2.096 1.799 ( 1.855 2.684 -1.611) 3.638 1.961 ( 0.172 -0.111 2.680) 2.688 2.008 ( 0.782 0.242 -1.468) 1.681 2.158 ( -3.191 3.215 1.855) 4.895 2.263 ( 1.028 1.178 -0.500) 1.641 2.883 ( -0.514 -0.043 0.941) 1.073 2.900 ( -0.878 0.260 -1.507) 1.763 3.138 ( -0.320 1.034 0.442) 1.169 3.182 ( 1.291 0.428 -0.031) 1.361 3.185 ( -1.221 -0.648 -1.001) 1.707 3.209 ( 1.265 0.157 1.200) 1.751 3.349 ( -1.311 -1.289 0.095) 1.841 3.396 ( 0.642 -0.936 -0.541) 1.258 5.487 ( -0.592 0.241 0.194) 0.668 5.509 ( -0.100 -0.220 -0.148) 0.284 6.036 ( -1.364 0.298 0.193) 1.410 6.075 ( -0.059 -0.499 -0.280) 0.575 7.209 ( 0.015 0.089 0.411) 0.421 7.212 ( -0.323 -0.055 -0.346) 0.476 7.421 ( 0.416 0.063 -0.678) 0.798 7.449 ( 2.450 -0.742 0.285) 2.576======================= Grid point 171 (84/130) =======================q-point: ( 0.25 0.25 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.343 ( 4.717 -2.133 -5.947) 7.884 0.619 ( 5.044 2.048 2.571) 6.020 0.668 ( 2.592 2.388 1.541) 3.846 0.694 ( 1.778 -0.791 -2.531) 3.192 0.881 ( -2.666 -0.541 -3.987) 4.826 0.973 ( -3.154 0.605 4.984) 5.929 1.032 ( -0.794 2.341 -0.339) 2.495 1.043 ( -1.693 1.436 -0.213) 2.230 1.100 ( -0.952 -3.042 3.816) 4.972 1.135 ( 1.042 -1.796 -0.636) 2.172 1.246 ( 2.180 0.243 0.962) 2.396 1.535 ( 3.650 -3.171 1.866) 5.182 1.549 ( -1.956 1.415 1.110) 2.657 1.591 ( 1.211 -1.859 0.024) 2.218 1.698 ( -0.893 -1.282 -3.311) 3.661 1.801 ( 0.835 2.515 -2.635) 3.737 1.973 ( -0.066 -1.118 0.514) 1.232 2.023 ( 0.973 0.950 0.354) 1.405 2.116 ( -3.097 2.246 0.945) 3.940 2.251 ( -0.546 -0.590 -2.325) 2.460 2.873 ( -1.108 0.290 -0.522) 1.259 2.882 ( -0.512 0.297 0.649) 0.878 3.122 ( -1.403 -0.005 -0.478) 1.482 3.177 ( 0.659 0.352 0.212) 0.777 3.202 ( 0.896 -0.672 0.122) 1.127 3.236 ( 0.618 -0.110 0.332) 0.710 3.329 ( -0.112 -0.109 -0.341) 0.375 3.403 ( 0.093 -0.428 0.369) 0.573 5.478 ( -0.430 0.190 -0.133) 0.489 5.502 ( -0.655 -0.224 0.079) 0.697 6.016 ( -1.052 0.469 0.150) 1.161 6.063 ( -0.939 -0.507 -0.206) 1.087 7.204 ( -0.183 0.034 -0.190) 0.266 7.212 ( -0.195 0.113 0.362) 0.427 7.433 ( 1.607 0.385 -0.265) 1.674 7.491 ( 2.285 -0.927 -0.163) 2.471======================= Grid point 172 (85/130) =======================q-point: ( 0.38 0.25 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.415 ( 8.394 -1.102 -2.708) 8.889 0.665 ( -0.628 -0.279 -2.098) 2.207 0.683 ( 1.750 0.002 -3.400) 3.823 0.733 ( 0.260 3.827 1.211) 4.022 0.846 ( 3.964 -0.664 -0.442) 4.043 0.925 ( -4.809 2.011 2.259) 5.681 1.028 ( -0.477 0.190 -0.667) 0.841 1.068 ( 0.681 1.771 4.865) 5.222 1.105 ( -4.223 -4.327 4.401) 7.478 1.157 ( 3.008 -3.654 -0.296) 4.742 1.316 ( 2.038 0.147 3.925) 4.425 1.472 ( -4.694 2.224 -1.818) 5.503 1.577 ( 1.146 1.230 0.330) 1.713 1.638 ( -0.049 -3.712 -2.972) 4.756 1.659 ( 2.183 -0.949 -1.448) 2.786 1.778 ( 0.632 0.855 -3.371) 3.535 1.982 ( 0.170 -0.517 0.953) 1.098 2.026 ( -1.387 0.455 0.901) 1.715 2.090 ( -0.832 0.865 0.503) 1.302 2.206 ( -0.615 -1.617 -3.585) 3.980 2.851 ( -0.847 0.010 -0.156) 0.861 2.881 ( -0.197 0.215 0.132) 0.320 3.102 ( -0.463 -0.323 0.198) 0.599 3.180 ( -0.830 0.112 -0.321) 0.897 3.211 ( -0.210 -1.233 0.269) 1.279 3.241 ( 0.918 -0.280 -0.829) 1.268 3.348 ( 1.739 1.252 0.536) 2.209 3.404 ( -0.606 0.113 0.450) 0.763 5.472 ( 0.130 0.102 -0.287) 0.332 5.490 ( -0.903 -0.161 0.141) 0.928 6.007 ( -0.258 0.465 0.282) 0.602 6.044 ( -0.977 -0.276 -0.157) 1.028 7.202 ( 0.043 0.123 -0.072) 0.149 7.210 ( -0.353 0.174 0.160) 0.425 7.463 ( 1.532 0.261 0.465) 1.622 7.519 ( 1.351 -0.905 -0.540) 1.713======================= Grid point 173 (86/130) =======================q-point: (-0.50 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.529 ( 4.792 0.493 1.025) 4.926 0.615 ( -2.685 0.541 -2.814) 3.927 0.650 ( -0.654 2.378 -1.299) 2.788 0.702 ( -1.811 -1.610 -2.673) 3.608 0.894 ( -0.715 3.318 2.980) 4.517 0.955 ( 2.359 -2.228 1.831) 3.726 0.997 ( -1.831 0.156 -0.408) 1.883 1.060 ( -2.463 -3.639 0.937) 4.493 1.143 ( 2.318 0.114 4.201) 4.799 1.228 ( 2.271 -1.438 2.193) 3.469 1.341 ( -2.367 -2.121 1.362) 3.458 1.434 ( 1.589 2.797 2.181) 3.887 1.536 ( -2.579 -2.081 -4.381) 5.493 1.630 ( 0.391 0.857 -0.718) 1.184 1.663 ( 1.700 0.877 -2.799) 3.390 1.750 ( 0.148 -1.541 -3.198) 3.553 1.995 ( -0.683 1.156 1.642) 2.122 2.017 ( -0.705 -1.243 1.451) 2.036 2.084 ( -0.564 0.631 0.023) 0.847 2.166 ( 0.695 -1.585 -3.446) 3.856 2.846 ( -0.004 -0.384 0.381) 0.541 2.877 ( 0.361 -0.255 -0.684) 0.814 3.112 ( 0.810 -0.578 0.901) 1.342 3.150 ( -1.085 -0.531 -1.084) 1.623 3.207 ( -0.817 -0.307 0.711) 1.126 3.246 ( 0.508 -0.224 -0.982) 1.129 3.380 ( 0.232 1.001 0.798) 1.301 3.395 ( 0.086 0.800 0.018) 0.805 5.476 ( -0.232 -0.116 -0.023) 0.260 5.478 ( 0.269 0.017 -0.110) 0.291 6.014 ( 0.508 0.289 0.455) 0.741 6.030 ( -0.343 0.009 -0.301) 0.457 7.204 ( 0.138 0.191 0.037) 0.239 7.205 ( -0.220 0.241 0.012) 0.326 7.487 ( 0.318 -0.039 0.835) 0.895 7.522 ( -0.062 -0.817 -0.841) 1.174======================= Grid point 174 (87/130) =======================q-point: (-0.38 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.505 ( -4.199 3.300 -5.266) 7.500 0.548 ( -3.606 3.095 1.863) 5.104 0.629 ( -3.259 0.767 0.619) 3.405 0.697 ( 3.820 -2.348 0.025) 4.484 0.913 ( -3.369 2.850 3.251) 5.482 0.944 ( -2.771 -2.240 0.505) 3.599 0.953 ( 0.636 0.316 -1.215) 1.407 1.079 ( 0.967 -1.912 -0.475) 2.195 1.212 ( 0.189 -4.483 0.918) 4.580 1.264 ( 3.799 0.684 1.077) 4.008 1.392 ( 0.966 -1.776 6.023) 6.354 1.441 ( -2.143 -2.471 -3.132) 4.529 1.485 ( 1.149 3.044 0.621) 3.313 1.599 ( 0.541 1.217 -3.284) 3.544 1.683 ( 0.507 0.089 0.059) 0.518 1.714 ( 0.497 -1.799 -2.836) 3.395 1.990 ( -1.726 1.722 1.161) 2.701 2.028 ( -0.029 -0.939 1.155) 1.489 2.073 ( -0.818 0.675 0.572) 1.205 2.156 ( 1.726 -0.835 -2.258) 2.962 2.851 ( 0.111 -0.281 0.304) 0.428 2.888 ( 1.789 -0.654 -0.643) 2.010 3.114 ( -0.756 -0.528 -0.337) 0.982 3.160 ( 2.294 -0.510 0.462) 2.395 3.200 ( -0.963 0.255 0.778) 1.264 3.234 ( -0.785 -0.482 -0.614) 1.107 3.362 ( -1.758 1.157 0.015) 2.104 3.415 ( 1.059 0.279 0.055) 1.097 5.470 ( 0.102 0.057 -0.225) 0.253 5.489 ( 0.579 -0.107 0.145) 0.606 6.027 ( 0.517 0.164 -0.583) 0.796 6.031 ( 0.807 0.038 0.499) 0.949 7.200 ( -0.198 0.269 -0.021) 0.334 7.210 ( 0.427 0.250 0.130) 0.512 7.490 ( -0.892 -0.340 0.828) 1.263 7.498 ( -1.627 -0.683 -1.100) 2.079======================= Grid point 175 (88/130) =======================q-point: (-0.25 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.389 ( -0.333 5.993 -7.434) 9.555 0.506 ( -3.599 2.552 2.670) 5.157 0.587 ( -3.251 2.503 2.283) 4.695 0.757 ( 0.782 -1.504 2.808) 3.280 0.856 ( -1.088 1.719 -1.739) 2.677 0.919 ( -3.220 3.068 1.499) 4.694 0.984 ( 2.305 -0.781 0.843) 2.576 1.067 ( -0.791 -3.162 -0.302) 3.273 1.223 ( -0.791 -3.946 -0.800) 4.103 1.255 ( -1.498 -2.231 -3.541) 4.445 1.383 ( -2.951 -1.343 -0.321) 3.258 1.494 ( 2.004 3.153 -0.216) 3.742 1.514 ( 4.310 -1.839 4.269) 6.339 1.599 ( -1.179 -1.521 0.735) 2.060 1.653 ( 1.243 -0.249 -3.607) 3.824 1.728 ( 0.716 0.351 0.178) 0.817 1.965 ( -1.956 1.941 0.462) 2.794 2.036 ( 0.178 0.051 -0.060) 0.195 2.083 ( -0.169 0.620 3.327) 3.389 2.171 ( 1.988 0.272 -0.930) 2.212 2.862 ( 0.654 0.017 0.437) 0.787 2.915 ( 2.129 -0.611 -0.844) 2.370 3.107 ( 0.219 -0.088 0.082) 0.250 3.186 ( -0.392 0.032 -0.125) 0.413 3.199 ( -0.334 0.094 0.202) 0.402 3.220 ( 0.343 -0.409 0.715) 0.893 3.334 ( -1.134 0.738 -0.326) 1.392 3.426 ( 0.406 -0.718 -0.346) 0.895 5.478 ( 1.038 0.111 -0.181) 1.059 5.497 ( 0.067 -0.043 0.321) 0.331 6.035 ( 1.245 0.126 -0.648) 1.409 6.049 ( 0.629 -0.153 0.476) 0.803 7.198 ( -0.062 0.285 0.066) 0.299 7.221 ( 0.611 0.102 0.060) 0.622 7.447 ( -2.738 -0.234 -1.060) 2.946 7.477 ( -1.530 -0.596 0.547) 1.731======================= Grid point 176 (89/130) =======================q-point: (-0.12 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.351 ( 2.599 5.881 -2.977) 7.085 0.487 ( -2.381 4.355 2.325) 5.481 0.572 ( -0.633 2.636 1.256) 2.988 0.750 ( -2.522 -1.263 -1.109) 3.031 0.888 ( 0.738 2.118 2.987) 3.736 0.895 ( 1.832 3.912 2.061) 4.787 1.002 ( -2.486 -3.289 1.221) 4.300 1.076 ( 2.072 -1.278 0.671) 2.525 1.131 ( -3.155 -0.984 -3.638) 4.915 1.232 ( -0.149 -2.347 -3.236) 4.000 1.312 ( -2.217 -1.287 -2.299) 3.443 1.520 ( -2.485 -4.755 -0.332) 5.375 1.544 ( -0.401 -0.216 0.669) 0.809 1.620 ( -1.254 -1.738 -3.140) 3.802 1.645 ( 4.137 1.644 2.476) 5.094 1.763 ( 2.558 2.577 1.752) 4.032 1.936 ( -2.099 1.604 0.425) 2.675 2.034 ( 0.200 0.392 -0.918) 1.018 2.132 ( 0.205 1.351 4.563) 4.763 2.202 ( 2.089 1.195 0.075) 2.408 2.875 ( 0.248 0.183 0.284) 0.419 2.937 ( 1.686 -0.545 -1.399) 2.257 3.123 ( 0.923 0.322 0.757) 1.236 3.173 ( -1.086 -0.336 0.149) 1.147 3.180 ( -0.971 0.790 -0.305) 1.288 3.235 ( -0.072 0.404 -0.000) 0.411 3.329 ( 0.718 -0.609 0.295) 0.986 3.421 ( -0.114 -1.563 -0.888) 1.802 5.496 ( 0.576 -0.018 0.135) 0.592 5.499 ( 0.276 0.037 0.002) 0.279 6.052 ( 1.265 -0.086 -0.353) 1.316 6.060 ( 0.182 -0.175 0.271) 0.370 7.199 ( 0.037 0.219 0.221) 0.314 7.228 ( 0.305 -0.293 -0.398) 0.581 7.401 ( -1.403 0.432 0.095) 1.471 7.454 ( -1.500 -0.666 0.058) 1.642======================= Grid point 177 (90/130) =======================q-point: ( 0.00 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.512 ( 1.707 4.462 -0.725) 4.832 0.552 ( -3.206 4.948 -1.378) 6.055 0.646 ( 1.206 3.347 -0.301) 3.571 0.674 ( 0.884 1.803 -0.548) 2.081 0.863 ( -1.470 -6.473 1.073) 6.724 0.895 ( 0.629 -5.615 -0.220) 5.655 1.019 ( -0.736 -0.590 -3.278) 3.411 1.037 ( -1.578 -0.594 1.213) 2.077 1.130 ( 1.886 3.420 2.809) 4.811 1.212 ( 1.421 0.172 0.082) 1.434 1.266 ( 1.035 0.140 -0.394) 1.116 1.342 ( -2.618 -2.844 -3.028) 4.911 1.527 ( -1.631 -1.162 -0.538) 2.074 1.543 ( -0.102 -2.001 -1.068) 2.271 1.785 ( 2.250 3.188 2.114) 4.438 1.847 ( 1.069 1.482 0.210) 1.839 1.947 ( -1.103 1.512 1.165) 2.205 2.019 ( -0.357 -0.732 -1.506) 1.712 2.220 ( -0.683 2.204 3.949) 4.573 2.263 ( 1.045 0.489 1.748) 2.094 2.886 ( -0.094 0.619 -0.032) 0.627 2.921 ( 0.140 -0.780 -1.529) 1.722 3.153 ( 0.154 0.490 0.961) 1.090 3.166 ( 0.741 -0.360 0.803) 1.150 3.197 ( 0.562 1.401 -0.549) 1.606 3.218 ( -1.726 0.199 -0.856) 1.937 3.333 ( 0.333 -0.590 0.549) 0.872 3.366 ( -0.114 -1.873 -1.035) 2.143 5.494 ( -0.283 -0.059 0.140) 0.322 5.502 ( 0.367 -0.427 -0.264) 0.622 6.054 ( -0.504 0.038 0.254) 0.566 6.063 ( 0.483 -0.400 -0.158) 0.647 7.209 ( 0.140 0.380 -0.007) 0.405 7.219 ( -0.054 -0.078 -0.490) 0.499 7.409 ( 0.655 0.159 0.416) 0.792 7.422 ( -0.386 -0.429 -0.243) 0.626======================= Grid point 178 (91/130) =======================q-point: ( 0.12 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.415 ( -4.368 3.824 -3.024) 6.546 0.607 ( 3.565 2.105 2.027) 4.610 0.659 ( 0.253 4.207 0.295) 4.225 0.679 ( 1.837 1.794 -1.746) 3.105 0.883 ( 0.760 -4.971 2.138) 5.464 0.906 ( 1.530 -3.815 -0.082) 4.111 0.992 ( -1.151 -2.904 -1.676) 3.545 1.017 ( -0.799 -2.864 1.424) 3.297 1.154 ( -2.043 3.785 0.142) 4.303 1.189 ( -2.311 1.297 -0.845) 2.781 1.277 ( -0.123 1.025 -2.915) 3.093 1.336 ( 4.977 -2.574 1.805) 5.887 1.518 ( 1.015 -0.898 0.850) 1.599 1.558 ( 1.629 -2.193 0.260) 2.744 1.792 ( -2.853 3.154 -0.721) 4.314 1.852 ( 1.046 2.078 -1.065) 2.559 1.958 ( -0.657 0.102 1.832) 1.949 2.008 ( 1.094 -0.566 -0.603) 1.371 2.217 ( -3.331 2.544 1.915) 4.608 2.275 ( -1.189 -0.094 0.327) 1.237 2.885 ( -0.219 0.326 0.364) 0.535 2.902 ( -0.366 -0.137 -1.178) 1.241 3.162 ( -0.518 1.180 0.370) 1.341 3.175 ( -1.071 -0.286 -1.038) 1.518 3.183 ( 0.401 -0.012 0.144) 0.426 3.213 ( 0.647 -0.119 0.993) 1.191 3.332 ( -0.202 -0.188 -0.141) 0.310 3.371 ( 1.220 -1.386 -0.332) 1.876 5.489 ( -0.430 0.064 0.014) 0.435 5.501 ( -0.153 -0.480 -0.101) 0.514 6.043 ( -1.011 0.357 0.128) 1.079 6.063 ( -0.316 -0.640 -0.147) 0.729 7.211 ( -0.018 0.174 -0.042) 0.180 7.213 ( -0.000 0.149 -0.232) 0.276 7.423 ( 0.867 0.159 -0.377) 0.958 7.436 ( 1.907 -0.539 0.215) 1.993======================= Grid point 179 (92/130) =======================q-point: ( 0.25 0.38 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.369 ( 2.656 4.919 -1.935) 5.916 0.632 ( -0.170 -4.774 -0.576) 4.811 0.675 ( 1.063 4.100 -0.753) 4.302 0.747 ( 5.333 3.786 1.638) 6.742 0.882 ( -1.346 -0.454 -1.738) 2.245 0.936 ( -1.502 -2.258 1.509) 3.104 0.970 ( 1.033 -6.101 2.300) 6.602 1.045 ( -0.352 -2.549 3.353) 4.226 1.081 ( -2.931 2.337 -1.509) 4.041 1.139 ( -1.233 0.432 -3.553) 3.786 1.282 ( 1.157 2.820 1.896) 3.590 1.448 ( 5.297 -4.824 1.861) 7.402 1.567 ( 1.499 -0.289 0.140) 1.533 1.580 ( 1.664 0.341 0.456) 1.758 1.712 ( -3.840 2.978 -2.366) 5.405 1.834 ( -1.126 -0.057 -2.164) 2.440 1.966 ( 0.327 0.979 0.897) 1.368 2.033 ( 1.100 -0.284 0.555) 1.264 2.160 ( -4.471 2.050 0.531) 4.947 2.232 ( -2.801 -1.368 -1.586) 3.497 2.879 ( -0.804 0.384 -0.342) 0.955 2.889 ( -0.175 0.240 -0.185) 0.350 3.127 ( -1.746 0.570 -0.551) 1.918 3.172 ( -0.057 -1.112 -0.340) 1.164 3.197 ( 0.662 0.431 0.573) 0.976 3.226 ( 0.105 -0.755 0.241) 0.800 3.341 ( 1.370 1.081 0.138) 1.751 3.389 ( 0.809 -0.953 0.243) 1.274 5.481 ( -0.436 0.130 -0.142) 0.477 5.495 ( -0.567 -0.462 0.054) 0.733 6.026 ( -0.906 0.523 0.078) 1.049 6.051 ( -0.827 -0.663 -0.136) 1.069 7.208 ( -0.068 0.269 -0.199) 0.342 7.214 ( -0.056 0.062 0.093) 0.125 7.442 ( 1.709 0.549 -0.188) 1.805 7.472 ( 2.095 -0.906 -0.082) 2.284======================= Grid point 180 (93/130) =======================q-point: ( 0.38 0.38 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.445 ( 5.953 3.878 0.760) 7.145 0.617 ( -0.244 -3.310 -1.243) 3.544 0.678 ( 0.655 0.976 -1.514) 1.917 0.801 ( -1.272 -0.614 -3.979) 4.223 0.858 ( 1.761 2.566 2.713) 4.128 0.921 ( -2.257 -2.930 0.671) 3.758 0.994 ( -1.597 -3.050 2.009) 3.987 1.032 ( -0.689 -0.192 1.061) 1.279 1.091 ( 0.482 -0.600 -1.214) 1.437 1.122 ( 2.576 -0.253 3.818) 4.613 1.335 ( 0.973 2.384 2.969) 3.930 1.517 ( -0.768 0.880 -1.188) 1.667 1.543 ( 0.453 -3.770 -1.937) 4.263 1.633 ( 1.781 -1.788 -0.635) 2.602 1.641 ( -0.289 4.328 -0.201) 4.343 1.778 ( -1.741 -1.180 -3.216) 3.843 1.986 ( 0.598 1.152 1.015) 1.648 2.039 ( -1.248 0.323 0.459) 1.368 2.105 ( -1.942 0.754 0.416) 2.124 2.166 ( -1.880 -2.138 -2.348) 3.690 2.858 ( -0.783 0.608 -0.690) 1.208 2.882 ( -0.317 -0.186 -0.580) 0.687 3.103 ( -0.655 0.503 0.097) 0.832 3.157 ( -1.147 -1.830 -0.425) 2.201 3.208 ( 0.061 0.568 0.263) 0.628 3.234 ( 0.929 -0.468 -0.440) 1.130 3.373 ( 1.626 1.154 0.654) 2.099 3.402 ( 0.228 -0.255 0.535) 0.635 5.474 ( -0.083 0.092 -0.187) 0.224 5.485 ( -0.673 -0.333 0.068) 0.754 6.017 ( -0.324 0.488 0.180) 0.613 6.037 ( -0.674 -0.445 -0.063) 0.811 7.206 ( 0.092 0.283 -0.117) 0.320 7.212 ( -0.180 0.060 0.010) 0.190 7.470 ( 1.409 0.489 0.173) 1.501 7.500 ( 1.316 -0.919 -0.318) 1.636======================= Grid point 181 (94/130) =======================q-point: (-0.50 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.550 ( 3.190 1.611 2.399) 4.304 0.602 ( 0.248 -1.548 -0.816) 1.768 0.662 ( -0.451 0.417 -1.470) 1.593 0.722 ( -2.678 1.894 -3.009) 4.451 0.893 ( -0.486 -2.714 0.943) 2.914 0.899 ( 0.752 -3.157 -0.413) 3.271 0.984 ( -1.901 -0.923 0.861) 2.282 1.014 ( -0.775 -1.331 -0.694) 1.689 1.146 ( 3.092 1.287 4.226) 5.392 1.231 ( 3.189 -0.426 5.834) 6.662 1.322 ( -2.949 1.505 -2.250) 4.003 1.477 ( -2.558 -3.281 -5.243) 6.693 1.505 ( 0.224 3.782 2.677) 4.640 1.646 ( -1.232 -0.168 -0.214) 1.261 1.672 ( 2.919 -0.123 0.121) 2.924 1.719 ( 0.082 -0.976 -4.400) 4.508 1.999 ( -0.613 0.055 1.321) 1.458 2.027 ( -0.349 1.144 0.667) 1.369 2.093 ( -0.427 0.273 0.133) 0.524 2.128 ( 0.241 -1.921 -2.024) 2.801 2.846 ( 0.069 0.322 -0.298) 0.444 2.869 ( 0.175 -0.534 -1.090) 1.226 3.106 ( 0.418 -0.000 0.528) 0.674 3.133 ( -0.490 -1.069 -0.855) 1.454 3.209 ( -0.488 0.500 0.631) 0.942 3.238 ( 0.075 -0.597 -0.622) 0.865 3.399 ( -0.026 0.797 0.719) 1.074 3.408 ( 0.347 0.407 0.277) 0.603 5.474 ( -0.054 -0.084 -0.006) 0.100 5.477 ( 0.078 -0.123 -0.108) 0.181 6.020 ( 0.303 0.275 0.282) 0.497 6.029 ( -0.125 -0.143 -0.136) 0.234 7.208 ( 0.170 0.205 -0.052) 0.272 7.209 ( -0.025 0.174 -0.098) 0.201 7.488 ( 0.188 0.170 0.389) 0.464 7.506 ( -0.077 -0.730 -0.480) 0.878======================= Grid point 182 (95/130) =======================q-point: (-0.38 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.550 ( -1.972 1.831 -1.084) 2.901 0.618 ( -0.239 -0.844 -0.032) 0.878 0.641 ( -1.382 4.221 -1.614) 4.726 0.685 ( 1.871 1.510 0.586) 2.475 0.880 ( -0.729 -3.266 -0.025) 3.347 0.943 ( 2.899 -2.605 0.250) 3.905 0.954 ( -2.663 0.794 2.483) 3.727 1.009 ( 0.584 -4.338 -0.121) 4.379 1.177 ( -3.658 2.215 -1.202) 4.442 1.290 ( 2.141 1.545 0.441) 2.677 1.349 ( 2.014 -2.627 5.905) 6.769 1.375 ( -1.817 -3.347 -4.321) 5.759 1.539 ( -0.152 1.992 2.073) 2.878 1.605 ( -2.622 -0.966 -0.097) 2.796 1.691 ( 1.340 0.859 -2.448) 2.920 1.714 ( 2.922 1.462 -1.865) 3.762 2.004 ( -0.116 -0.073 0.492) 0.511 2.029 ( -0.625 0.658 1.041) 1.381 2.088 ( -0.254 0.818 0.365) 0.931 2.130 ( 1.860 -1.601 -1.080) 2.681 2.851 ( 0.652 0.256 0.009) 0.700 2.874 ( 1.595 -0.741 -0.729) 1.904 3.110 ( -0.015 0.192 -0.228) 0.299 3.143 ( 2.005 -1.057 0.057) 2.267 3.205 ( -0.844 0.338 0.704) 1.150 3.224 ( -0.894 -0.512 -0.325) 1.081 3.387 ( -1.517 1.215 0.149) 1.949 3.417 ( 0.040 -0.133 0.016) 0.140 5.472 ( 0.198 0.142 -0.122) 0.272 5.484 ( 0.520 -0.353 0.062) 0.631 6.029 ( 0.472 0.078 -0.322) 0.577 6.031 ( 0.644 -0.024 0.226) 0.683 7.207 ( 0.015 0.358 -0.126) 0.380 7.214 ( 0.431 0.069 -0.049) 0.440 7.484 ( -1.052 -0.230 0.408) 1.151 7.486 ( -1.543 -0.388 -0.574) 1.691======================= Grid point 183 (96/130) =======================q-point: (-0.25 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.505 ( 1.345 4.935 -5.523) 7.527 0.602 ( -1.955 4.739 1.546) 5.354 0.614 ( -0.068 2.212 -0.742) 2.334 0.726 ( 0.448 -0.950 1.507) 1.837 0.869 ( -1.274 -1.953 1.092) 2.575 0.934 ( -1.637 -0.389 1.509) 2.260 1.006 ( 1.515 -1.024 2.055) 2.751 1.023 ( 1.357 -0.461 -0.834) 1.658 1.116 ( 0.173 -2.208 -1.483) 2.665 1.225 ( -3.298 -1.689 -5.608) 6.722 1.351 ( -3.050 -1.290 1.673) 3.711 1.428 ( -0.121 -5.105 2.972) 5.908 1.553 ( 1.184 1.794 -0.507) 2.208 1.592 ( 0.794 -0.329 1.533) 1.758 1.678 ( 0.275 3.184 -2.523) 4.072 1.751 ( 2.388 1.098 0.522) 2.680 1.993 ( -0.839 1.047 -0.675) 1.502 2.037 ( -0.080 -0.222 0.967) 0.995 2.105 ( 0.808 1.385 2.370) 2.862 2.162 ( 2.437 -1.028 0.299) 2.662 2.868 ( 1.119 0.556 0.242) 1.272 2.899 ( 2.002 -0.852 -0.571) 2.249 3.114 ( 0.627 0.765 -0.027) 0.990 3.170 ( 0.315 -1.465 -0.228) 1.516 3.203 ( -0.040 0.220 0.253) 0.338 3.212 ( 0.292 -0.225 0.573) 0.681 3.357 ( -1.868 1.398 -0.308) 2.353 3.409 ( -0.718 -0.982 -0.382) 1.276 5.480 ( 0.796 0.113 -0.116) 0.813 5.492 ( 0.273 -0.402 0.163) 0.512 6.037 ( 0.919 0.104 -0.371) 0.997 6.045 ( 0.648 -0.247 0.186) 0.718 7.207 ( 0.121 0.507 -0.131) 0.537 7.221 ( 0.449 -0.103 -0.156) 0.487 7.446 ( -2.293 0.177 -0.448) 2.343 7.464 ( -1.655 -0.614 0.275) 1.786======================= Grid point 184 (97/130) =======================q-point: (-0.12 0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.485 ( 3.876 6.341 -5.776) 9.413 0.596 ( -2.025 4.421 2.562) 5.497 0.621 ( 1.724 3.824 -0.174) 4.199 0.709 ( -2.986 -1.247 -0.730) 3.317 0.866 ( -1.004 -4.078 2.264) 4.771 0.913 ( -0.987 -3.507 -1.664) 4.005 1.026 ( -0.425 4.296 2.818) 5.155 1.061 ( 2.198 0.287 0.646) 2.309 1.106 ( -2.484 -1.117 -4.504) 5.263 1.160 ( 3.647 -3.570 -0.221) 5.108 1.296 ( -3.384 -0.243 -0.109) 3.394 1.408 ( -2.802 -5.399 -0.411) 6.097 1.557 ( -0.512 0.644 -0.590) 1.013 1.587 ( -1.750 -1.254 -2.579) 3.360 1.706 ( 3.613 3.987 2.008) 5.743 1.802 ( 1.922 0.754 2.023) 2.890 1.969 ( -1.201 1.853 -0.594) 2.286 2.037 ( -0.203 -0.440 -0.562) 0.742 2.164 ( 1.263 1.758 4.429) 4.929 2.214 ( 2.226 -0.101 1.647) 2.770 2.885 ( 0.456 0.738 0.021) 0.868 2.922 ( 1.444 -0.916 -1.007) 1.984 3.131 ( 0.953 0.547 0.657) 1.280 3.162 ( -0.564 -0.721 0.160) 0.929 3.199 ( -0.004 1.032 -0.378) 1.099 3.236 ( 0.543 -0.420 0.086) 0.692 3.328 ( -0.729 0.655 -0.159) 0.993 3.388 ( -0.972 -1.731 -0.693) 2.102 5.493 ( 0.695 -0.183 -0.078) 0.723 5.496 ( 0.114 -0.275 0.063) 0.304 6.050 ( 0.815 -0.061 -0.100) 0.823 6.055 ( 0.403 -0.270 0.099) 0.495 7.208 ( 0.138 0.522 -0.094) 0.548 7.223 ( 0.194 -0.211 -0.406) 0.497 7.411 ( -1.307 0.585 0.098) 1.436 7.439 ( -1.379 -0.747 0.030) 1.568======================= Grid point 185 (98/130) =======================q-point: ( 0.00 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.588 ( -0.882 -2.426 -1.150) 2.826 0.588 ( -0.882 2.426 -1.150) 2.826 0.735 ( 0.569 -5.095 -0.236) 5.132 0.735 ( 0.569 5.095 -0.236) 5.132 0.762 ( 0.355 -6.692 -0.327) 6.709 0.762 ( 0.355 6.692 -0.327) 6.709 1.018 ( -1.529 -0.543 -2.517) 2.995 1.018 ( -1.529 0.543 -2.517) 2.995 1.191 ( 1.823 -2.083 2.635) 3.822 1.191 ( 1.823 2.083 2.635) 3.822 1.292 ( 0.079 -2.047 -1.284) 2.418 1.292 ( 0.079 2.047 -1.284) 2.418 1.518 ( -1.405 -0.371 -1.335) 1.973 1.518 ( -1.405 0.371 -1.335) 1.973 1.842 ( 1.545 -1.936 2.156) 3.284 1.842 ( 1.545 1.936 2.156) 3.284 1.988 ( -0.943 -2.189 -0.875) 2.539 1.988 ( -0.943 2.189 -0.875) 2.539 2.255 ( 0.136 -1.190 3.169) 3.388 2.255 ( 0.136 1.190 3.169) 3.388 2.903 ( 0.063 -0.941 -0.774) 1.220 2.903 ( 0.063 0.941 -0.774) 1.220 3.160 ( 0.673 -0.292 0.777) 1.069 3.160 ( 0.673 0.292 0.777) 1.069 3.218 ( -0.742 -0.483 -0.548) 1.041 3.218 ( -0.742 0.483 -0.548) 1.041 3.335 ( 0.055 -0.953 -0.340) 1.013 3.335 ( 0.055 0.953 -0.340) 1.013 5.495 ( 0.090 -0.184 -0.108) 0.231 5.495 ( 0.090 0.184 -0.108) 0.231 6.057 ( -0.014 -0.237 0.075) 0.248 6.057 ( -0.014 0.237 0.075) 0.248 7.216 ( 0.078 -0.249 -0.295) 0.394 7.216 ( 0.078 0.249 -0.295) 0.394 7.414 ( 0.088 -0.336 0.066) 0.353 7.414 ( 0.088 0.336 0.066) 0.353======================= Grid point 187 (99/130) =======================q-point: ( 0.12 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.531 ( -2.996 -6.411 -0.898) 7.133 0.531 ( -2.996 6.411 -0.898) 7.133 0.766 ( 3.290 -4.383 -0.315) 5.490 0.766 ( 3.290 4.383 -0.315) 5.490 0.794 ( 1.712 -5.355 0.734) 5.669 0.794 ( 1.712 5.355 0.734) 5.669 0.977 ( -1.089 -0.873 -0.440) 1.463 0.977 ( -1.089 0.873 -0.440) 1.463 1.198 ( -2.622 -0.804 -0.489) 2.786 1.198 ( -2.622 0.804 -0.489) 2.786 1.297 ( 2.217 -1.356 -0.554) 2.658 1.297 ( 2.217 1.356 -0.554) 2.658 1.523 ( 2.136 -1.132 0.740) 2.528 1.523 ( 2.136 1.132 0.740) 2.528 1.852 ( -1.894 -2.132 -0.382) 2.877 1.852 ( -1.894 2.132 -0.382) 2.877 1.981 ( 0.718 -1.847 0.467) 2.035 1.981 ( 0.718 1.847 0.467) 2.035 2.259 ( -2.729 -1.490 1.302) 3.371 2.259 ( -2.729 1.490 1.302) 3.371 2.895 ( -0.116 -0.504 -0.415) 0.663 2.895 ( -0.116 0.504 -0.415) 0.663 3.172 ( -0.253 -0.078 -0.657) 0.708 3.172 ( -0.253 0.078 -0.657) 0.708 3.198 ( -0.657 -1.182 0.834) 1.589 3.198 ( -0.657 1.182 0.834) 1.589 3.344 ( 1.144 -1.173 -0.216) 1.653 3.344 ( 1.144 1.173 -0.216) 1.653 5.492 ( -0.228 -0.322 -0.095) 0.406 5.492 ( -0.228 0.322 -0.095) 0.406 6.051 ( -0.634 -0.520 -0.000) 0.820 6.051 ( -0.634 0.520 -0.000) 0.820 7.214 ( 0.024 -0.076 -0.186) 0.202 7.214 ( 0.024 0.076 -0.186) 0.202 7.427 ( 1.364 -0.319 -0.050) 1.401 7.427 ( 1.364 0.319 -0.050) 1.401======================= Grid point 189 (100/130) =======================q-point: ( 0.25 -0.50 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.504 ( 0.544 -7.251 0.064) 7.272 0.504 ( 0.544 7.251 0.064) 7.272 0.784 ( -0.791 -5.079 -0.863) 5.212 0.784 ( -0.791 5.079 -0.863) 5.212 0.839 ( 2.672 -3.755 0.280) 4.617 0.839 ( 2.672 3.755 0.280) 4.617 0.984 ( 0.415 -3.427 2.791) 4.439 0.984 ( 0.415 3.427 2.791) 4.439 1.124 ( -2.728 -1.650 -2.781) 4.230 1.124 ( -2.728 1.650 -2.781) 4.230 1.354 ( 3.476 -4.199 1.283) 5.600 1.354 ( 3.476 4.199 1.283) 5.600 1.572 ( 2.001 -0.636 0.514) 2.162 1.572 ( 2.001 0.636 0.514) 2.162 1.790 ( -3.269 -3.730 -1.693) 5.241 1.790 ( -3.269 3.730 -1.693) 5.241 2.007 ( 1.043 -2.184 0.759) 2.537 2.007 ( 1.043 2.184 0.759) 2.537 2.199 ( -4.355 -1.795 -0.472) 4.734 2.199 ( -4.355 1.795 -0.472) 4.734 2.888 ( -0.371 -0.338 -0.343) 0.608 2.888 ( -0.371 0.338 -0.343) 0.608 3.146 ( -1.352 -1.237 -0.518) 1.904 3.146 ( -1.352 1.237 -0.518) 1.904 3.210 ( 0.596 -0.743 0.436) 1.048 3.210 ( 0.596 0.743 0.436) 1.048 3.366 ( 1.387 -1.248 0.255) 1.883 3.366 ( 1.387 1.248 0.255) 1.883 5.486 ( -0.441 -0.383 -0.079) 0.589 5.486 ( -0.441 0.383 -0.079) 0.589 6.038 ( -0.803 -0.618 -0.036) 1.014 6.038 ( -0.803 0.618 -0.036) 1.014 7.213 ( -0.041 -0.189 -0.093) 0.214 7.213 ( -0.041 0.189 -0.093) 0.214 7.455 ( 1.882 -0.735 -0.109) 2.023 7.455 ( 1.882 0.735 -0.109) 2.023======================= Grid point 191 (101/130) =======================q-point: ( 0.38 -0.50 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.536 ( 2.022 -4.464 0.798) 4.965 0.536 ( 2.022 4.464 0.798) 4.965 0.745 ( -2.077 -4.723 -0.946) 5.245 0.745 ( -2.077 4.723 -0.946) 5.245 0.866 ( 0.708 -1.329 -0.785) 1.698 0.866 ( 0.708 1.329 -0.785) 1.698 1.012 ( -1.284 -2.504 0.967) 2.976 1.012 ( -1.284 2.504 0.967) 2.976 1.098 ( 2.128 -1.525 1.509) 3.022 1.098 ( 2.128 1.525 1.509) 3.022 1.419 ( 2.270 -5.420 0.131) 5.878 1.419 ( 2.270 5.420 0.131) 5.878 1.585 ( -0.088 -2.879 -0.474) 2.919 1.585 ( -0.088 2.879 -0.474) 2.919 1.726 ( -2.005 -3.711 -1.384) 4.439 1.726 ( -2.005 3.711 -1.384) 4.439 2.022 ( 0.184 -1.847 0.076) 1.858 2.022 ( 0.184 1.847 0.076) 1.858 2.127 ( -2.737 -1.515 -0.494) 3.167 2.127 ( -2.737 1.515 -0.494) 3.167 2.872 ( -0.604 -0.692 -0.818) 1.230 2.872 ( -0.604 0.692 -0.818) 1.230 3.123 ( -0.921 -1.373 -0.118) 1.658 3.123 ( -0.921 1.373 -0.118) 1.658 3.222 ( 0.509 -0.674 -0.122) 0.853 3.222 ( 0.509 0.674 -0.122) 0.853 3.393 ( 1.035 -0.712 0.659) 1.419 3.393 ( 1.035 0.712 0.659) 1.419 5.478 ( -0.339 -0.298 -0.079) 0.458 5.478 ( -0.339 0.298 -0.079) 0.458 6.027 ( -0.441 -0.493 0.048) 0.663 6.027 ( -0.441 0.493 0.048) 0.663 7.211 ( -0.023 -0.184 -0.083) 0.203 7.211 ( -0.023 0.184 -0.083) 0.203 7.483 ( 1.330 -0.735 -0.083) 1.522 7.483 ( 1.330 0.735 -0.083) 1.522======================= Grid point 193 (102/130) =======================q-point: (-0.50 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.574 ( 1.115 -0.949 0.902) 1.719 0.574 ( 1.115 0.949 0.902) 1.719 0.709 ( -1.094 -3.065 -0.183) 3.259 0.709 ( -1.094 3.065 -0.183) 3.259 0.858 ( 0.919 -0.472 -2.296) 2.518 0.858 ( 0.919 0.472 -2.296) 2.518 0.986 ( -2.048 -1.129 0.423) 2.377 0.986 ( -2.048 1.129 0.423) 2.377 1.190 ( 3.315 -2.594 4.879) 6.443 1.190 ( 3.315 2.594 4.879) 6.443 1.395 ( -2.036 -4.390 -4.148) 6.373 1.395 ( -2.036 4.390 -4.148) 6.373 1.591 ( -0.954 -4.070 2.022) 4.644 1.591 ( -0.954 4.070 2.022) 4.644 1.695 ( 1.084 -1.584 -2.035) 2.798 1.695 ( 1.084 1.584 -2.035) 2.798 2.020 ( 0.103 -1.557 -0.414) 1.614 2.020 ( 0.103 1.557 -0.414) 1.614 2.101 ( -0.552 -0.723 0.176) 0.927 2.101 ( -0.552 0.723 0.176) 0.927 2.857 ( 0.030 -0.660 -0.833) 1.063 2.857 ( 0.030 0.660 -0.833) 1.063 3.113 ( 0.036 -0.713 -0.105) 0.721 3.113 ( 0.036 0.713 -0.105) 0.721 3.223 ( -0.252 -0.772 -0.055) 0.814 3.223 ( -0.252 0.772 -0.055) 0.814 3.410 ( 0.165 -0.234 0.552) 0.622 3.410 ( 0.165 0.234 0.552) 0.622 5.474 ( 0.027 -0.084 -0.076) 0.116 5.474 ( 0.027 0.084 -0.076) 0.116 6.025 ( 0.097 -0.232 0.063) 0.259 6.025 ( 0.097 0.232 0.063) 0.259 7.211 ( 0.107 -0.048 -0.106) 0.158 7.211 ( 0.107 0.048 -0.106) 0.158 7.494 ( 0.030 -0.462 -0.060) 0.467 7.494 ( 0.030 0.462 -0.060) 0.467======================= Grid point 195 (103/130) =======================q-point: (-0.38 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.590 ( 0.492 -1.979 -0.366) 2.072 0.590 ( 0.492 1.979 -0.366) 2.072 0.704 ( -0.033 -2.046 0.573) 2.125 0.704 ( -0.033 2.046 0.573) 2.125 0.862 ( 2.275 -3.190 -2.059) 4.427 0.862 ( 2.275 3.190 -2.059) 4.427 0.963 ( -1.784 -0.708 2.142) 2.876 0.963 ( -1.784 0.708 2.142) 2.876 1.258 ( -2.063 -4.700 -0.484) 5.156 1.258 ( -2.063 4.700 -0.484) 5.156 1.330 ( 1.019 -1.448 -0.170) 1.779 1.330 ( 1.019 1.448 -0.170) 1.779 1.574 ( -2.274 -1.680 1.720) 3.309 1.574 ( -2.274 1.680 1.720) 3.309 1.719 ( 3.083 -1.116 -1.784) 3.733 1.719 ( 3.083 1.116 -1.784) 3.733 2.020 ( 0.119 -1.285 -0.151) 1.299 2.020 ( 0.119 1.285 -0.151) 1.299 2.104 ( 0.552 -0.836 0.426) 1.089 2.104 ( 0.552 0.836 0.426) 1.089 2.860 ( 1.119 -0.592 -0.353) 1.315 2.860 ( 1.119 0.592 -0.353) 1.315 3.122 ( 1.029 -0.900 -0.139) 1.374 3.122 ( 1.029 0.900 -0.139) 1.374 3.214 ( -0.829 -0.481 0.215) 0.982 3.214 ( -0.829 0.481 0.215) 0.982 3.408 ( -0.864 -0.748 0.105) 1.148 3.408 ( -0.864 0.748 0.105) 1.148 5.477 ( 0.359 -0.310 -0.053) 0.478 5.477 ( 0.359 0.310 -0.053) 0.478 6.030 ( 0.515 -0.046 -0.059) 0.521 6.030 ( 0.515 0.046 -0.059) 0.521 7.213 ( 0.262 -0.193 -0.129) 0.350 7.213 ( 0.262 0.193 -0.129) 0.350 7.482 ( -1.295 -0.039 -0.065) 1.298 7.482 ( -1.295 0.039 -0.065) 1.298======================= Grid point 197 (104/130) =======================q-point: (-0.25 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 122Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.590 ( 1.408 -2.991 -2.372) 4.069 0.590 ( 1.408 2.991 -2.372) 4.069 0.709 ( -0.653 -2.661 1.218) 2.999 0.709 ( -0.653 2.661 1.218) 2.999 0.864 ( -0.690 -4.375 -1.078) 4.559 0.864 ( -0.690 4.375 -1.078) 4.559 0.996 ( 2.513 -0.814 3.165) 4.122 0.996 ( 2.513 0.814 3.165) 4.122 1.170 ( -2.472 -3.881 -4.941) 6.752 1.170 ( -2.472 3.881 -4.941) 6.752 1.351 ( -2.041 -1.813 2.173) 3.489 1.351 ( -2.041 1.813 2.173) 3.489 1.578 ( 0.477 -0.878 0.870) 1.325 1.578 ( 0.477 0.878 0.870) 1.325 1.742 ( 1.633 -2.206 -0.713) 2.836 1.742 ( 1.633 2.206 -0.713) 2.836 2.019 ( -0.233 -1.396 0.105) 1.419 2.019 ( -0.233 1.396 0.105) 1.419 2.135 ( 1.908 -1.522 1.599) 2.918 2.135 ( 1.908 1.522 1.599) 2.918 2.882 ( 1.576 -0.792 -0.076) 1.765 2.882 ( 1.576 0.792 -0.076) 1.765 3.138 ( 0.776 -1.508 -0.168) 1.704 3.138 ( 0.776 1.508 -0.168) 1.704 3.208 ( 0.021 -0.240 0.391) 0.460 3.208 ( 0.021 0.240 0.391) 0.460 3.385 ( -1.582 -1.318 -0.347) 2.088 3.385 ( -1.582 1.318 -0.347) 2.088 5.484 ( 0.506 -0.342 -0.021) 0.611 5.484 ( 0.506 0.342 -0.021) 0.611 6.040 ( 0.718 -0.187 -0.102) 0.749 6.040 ( 0.718 0.187 -0.102) 0.749 7.216 ( 0.300 -0.369 -0.194) 0.514 7.216 ( 0.300 0.369 -0.194) 0.514 7.453 ( -1.905 -0.460 -0.043) 1.961 7.453 ( -1.905 0.460 -0.043) 1.961======================= Grid point 199 (105/130) =======================q-point: (-0.12 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.590 ( 2.206 -3.589 -2.978) 5.159 0.590 ( 2.206 3.589 -2.978) 5.159 0.716 ( -0.624 -1.754 2.439) 3.068 0.716 ( -0.624 1.754 2.439) 3.068 0.815 ( -2.728 -3.921 -2.157) 5.241 0.815 ( -2.728 3.921 -2.157) 5.241 1.077 ( -1.420 -1.263 -1.288) 2.295 1.077 ( -1.420 1.263 -1.288) 2.295 1.103 ( 3.998 -2.192 0.487) 4.585 1.103 ( 3.998 2.192 0.487) 4.585 1.320 ( -2.499 -2.870 0.309) 3.818 1.320 ( -2.499 2.870 0.309) 3.818 1.568 ( -1.545 -0.671 -1.536) 2.280 1.568 ( -1.545 0.671 -1.536) 2.280 1.781 ( 2.269 -2.762 1.919) 4.058 1.781 ( 2.269 2.762 1.919) 4.058 2.011 ( -0.626 -1.979 -0.472) 2.129 2.011 ( -0.626 1.979 -0.472) 2.129 2.198 ( 2.005 -1.397 3.247) 4.064 2.198 ( 2.005 1.397 3.247) 4.064 2.902 ( 0.909 -0.948 -0.434) 1.383 2.902 ( 0.909 0.948 -0.434) 1.383 3.145 ( 0.297 -0.839 0.331) 0.949 3.145 ( 0.297 0.839 0.331) 0.949 3.220 ( 0.745 -1.009 -0.061) 1.256 3.220 ( 0.745 1.009 -0.061) 1.256 3.353 ( -1.449 -1.603 -0.497) 2.217 3.353 ( -1.449 1.603 -0.497) 2.217 5.492 ( 0.391 -0.108 -0.058) 0.410 5.492 ( 0.391 0.108 -0.058) 0.410 6.051 ( 0.562 -0.134 0.011) 0.577 6.051 ( 0.562 0.134 0.011) 0.577 7.217 ( 0.180 -0.403 -0.291) 0.529 7.217 ( 0.180 0.403 -0.291) 0.529 7.424 ( -1.307 -0.698 0.054) 1.482 7.424 ( -1.307 0.698 0.054) 1.482======================= Grid point 225 (106/130) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 65Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.436 ( 6.289 0.000 -5.139) 8.121 0.436 ( -6.289 0.000 5.139) 8.121 0.621 ( 0.249 0.000 -8.508) 8.512 0.621 ( -0.249 0.000 8.508) 8.512 0.846 ( 0.558 0.000 -8.732) 8.750 0.846 ( -0.558 0.000 8.732) 8.750 1.081 ( 2.937 0.000 -3.386) 4.482 1.081 ( -2.937 0.000 3.386) 4.482 1.152 ( 0.045 0.000 -2.779) 2.780 1.152 ( -0.045 0.000 2.779) 2.780 1.343 ( -7.857 0.000 -3.250) 8.503 1.343 ( 7.857 0.000 3.250) 8.503 1.664 ( -3.328 0.000 0.290) 3.340 1.664 ( 3.328 0.000 -0.290) 3.340 1.712 ( 2.016 0.000 -0.980) 2.242 1.712 ( -2.016 0.000 0.980) 2.242 2.010 ( -0.017 0.000 -2.150) 2.150 2.010 ( 0.017 0.000 2.150) 2.150 2.126 ( -5.088 0.000 0.820) 5.154 2.126 ( 5.088 0.000 -0.820) 5.154 2.899 ( -0.285 0.000 -0.750) 0.803 2.899 ( 0.285 0.000 0.750) 0.803 3.129 ( -1.634 0.000 -0.224) 1.649 3.129 ( 1.634 0.000 0.224) 1.649 3.214 ( -0.376 0.000 -1.086) 1.149 3.214 ( 0.376 0.000 1.086) 1.149 3.405 ( -0.559 0.000 -2.056) 2.131 3.405 ( 0.559 0.000 2.056) 2.131 5.492 ( 0.842 0.000 -0.771) 1.141 5.492 ( -0.842 0.000 0.771) 1.141 6.062 ( 1.703 0.000 -0.570) 1.796 6.062 ( -1.703 0.000 0.570) 1.796 7.222 ( -0.110 0.000 -0.773) 0.781 7.222 ( 0.110 0.000 0.773) 0.781 7.430 ( -1.948 0.000 -0.597) 2.037 7.430 ( 1.948 0.000 0.597) 2.037======================= Grid point 227 (107/130) =======================q-point: ( 0.12 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.391 ( -4.796 0.000 0.976) 4.895 0.533 ( 10.065 0.000 -4.816) 11.158 0.568 ( 6.013 0.000 -8.031) 10.032 0.663 ( -2.112 0.000 3.001) 3.670 0.781 ( 1.357 0.000 -5.900) 6.054 0.924 ( -0.239 0.000 6.017) 6.022 1.022 ( -5.911 0.000 1.165) 6.024 1.044 ( -5.295 0.000 0.752) 5.348 1.149 ( 0.997 0.000 1.924) 2.167 1.155 ( 2.967 0.000 -0.737) 3.058 1.310 ( 1.001 0.000 3.477) 3.618 1.550 ( 8.888 0.000 3.978) 9.738 1.593 ( -4.196 0.000 -0.422) 4.217 1.669 ( -3.115 0.000 -0.742) 3.203 1.695 ( 1.870 0.000 -1.982) 2.725 1.712 ( -0.050 0.000 -2.227) 2.228 1.982 ( 0.546 0.000 -3.438) 3.481 2.029 ( 0.135 0.000 1.335) 1.342 2.071 ( -2.859 0.000 2.033) 3.508 2.193 ( 3.592 0.000 -1.926) 4.076 2.886 ( -0.716 0.000 0.287) 0.771 2.907 ( -0.572 0.000 1.052) 1.197 3.113 ( 0.027 0.000 -0.190) 0.192 3.169 ( 2.548 0.000 0.135) 2.552 3.190 ( -0.790 0.000 -0.914) 1.208 3.223 ( -0.317 0.000 0.516) 0.606 3.369 ( -1.228 0.000 -1.632) 2.043 3.429 ( -0.440 0.000 1.951) 2.001 5.484 ( -1.107 0.000 0.524) 1.224 5.497 ( 0.575 0.000 -0.636) 0.858 6.035 ( -2.020 0.000 0.627) 2.115 6.075 ( 0.467 0.000 -0.582) 0.746 7.212 ( -0.195 0.000 -0.423) 0.465 7.230 ( -0.464 0.000 1.039) 1.138 7.402 ( 0.131 0.000 -0.878) 0.888 7.471 ( 2.335 0.000 -0.024) 2.335======================= Grid point 228 (108/130) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.339 ( 3.376 0.000 -4.524) 5.645 0.535 ( -1.315 0.000 -2.822) 3.113 0.620 ( 7.704 0.000 -6.093) 9.822 0.726 ( -2.092 0.000 -2.724) 3.435 0.779 ( 10.495 0.000 1.133) 10.556 0.903 ( -4.283 0.000 -0.607) 4.325 1.004 ( -2.253 0.000 3.275) 3.975 1.016 ( -0.568 0.000 6.723) 6.747 1.206 ( 1.414 0.000 3.981) 4.225 1.223 ( 2.795 0.000 1.543) 3.193 1.363 ( -0.488 0.000 4.574) 4.600 1.488 ( -4.621 0.000 -2.751) 5.378 1.607 ( -1.040 0.000 -3.119) 3.287 1.666 ( -1.468 0.000 -3.357) 3.664 1.689 ( -0.263 0.000 -1.460) 1.483 1.717 ( 4.184 0.000 3.138) 5.230 1.965 ( 2.025 0.000 -3.186) 3.775 2.043 ( 0.261 0.000 0.570) 0.627 2.070 ( -0.718 0.000 2.837) 2.927 2.188 ( 0.462 0.000 -4.681) 4.703 2.879 ( -0.846 0.000 0.674) 1.081 2.904 ( -1.058 0.000 1.117) 1.538 3.124 ( 1.264 0.000 0.075) 1.266 3.159 ( -1.089 0.000 -0.526) 1.209 3.217 ( -0.120 0.000 -0.677) 0.687 3.224 ( 2.771 0.000 0.038) 2.772 3.333 ( -1.306 0.000 -0.704) 1.483 3.430 ( -1.526 0.000 1.201) 1.942 5.468 ( -0.854 0.000 0.064) 0.856 5.497 ( 0.006 0.000 -0.346) 0.347 6.012 ( -1.423 0.000 0.720) 1.594 6.064 ( -0.797 0.000 -0.626) 1.014 7.206 ( -0.127 0.000 -0.226) 0.259 7.222 ( -1.105 0.000 0.085) 1.109 7.429 ( 2.614 0.000 0.922) 2.772 7.505 ( 1.999 0.000 -0.598) 2.086======================= Grid point 229 (109/130) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.428 ( 9.995 0.000 -2.102) 10.214 0.534 ( 1.108 0.000 3.424) 3.599 0.660 ( 4.740 0.000 -7.129) 8.561 0.661 ( -2.982 0.000 -1.450) 3.316 0.847 ( -2.240 0.000 1.773) 2.857 0.909 ( 2.284 0.000 -1.284) 2.620 1.036 ( 2.000 0.000 4.827) 5.225 1.089 ( 1.097 0.000 5.486) 5.595 1.244 ( -1.783 0.000 0.506) 1.853 1.245 ( -0.287 0.000 -1.911) 1.933 1.408 ( -0.000 0.000 5.878) 5.878 1.412 ( -0.495 0.000 0.129) 0.511 1.567 ( 0.943 0.000 -5.960) 6.034 1.595 ( -2.125 0.000 -3.867) 4.413 1.668 ( -2.140 0.000 3.019) 3.701 1.752 ( -0.650 0.000 -1.411) 1.553 1.986 ( 2.549 0.000 -0.570) 2.612 2.046 ( -0.361 0.000 -0.306) 0.473 2.096 ( -0.298 0.000 2.984) 2.999 2.140 ( 0.977 0.000 -4.981) 5.076 2.876 ( -0.012 0.000 0.234) 0.234 2.897 ( -1.106 0.000 0.837) 1.387 3.145 ( -0.296 0.000 0.189) 0.351 3.148 ( 0.726 0.000 0.481) 0.871 3.210 ( 1.069 0.000 -1.695) 2.004 3.246 ( -0.328 0.000 -0.362) 0.489 3.328 ( 1.182 0.000 0.558) 1.307 3.406 ( -2.154 0.000 0.290) 2.174 5.463 ( 0.222 0.000 0.086) 0.238 5.489 ( -0.628 0.000 -0.129) 0.641 6.006 ( -0.279 0.000 0.715) 0.768 6.040 ( -1.158 0.000 -0.524) 1.271 7.203 ( -0.057 0.000 -0.117) 0.130 7.207 ( -0.448 0.000 -0.207) 0.494 7.484 ( 1.708 0.000 1.743) 2.440 7.522 ( 1.140 0.000 -1.104) 1.587======================= Grid point 230 (110/130) =======================q-point: (-0.50 0.00 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 65Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.570 ( -5.538 0.000 -1.724) 5.800 0.570 ( 5.538 0.000 1.724) 5.800 0.617 ( 1.046 0.000 -8.285) 8.351 0.617 ( -1.046 0.000 8.285) 8.351 0.872 ( -1.446 0.000 -2.951) 3.286 0.872 ( 1.446 0.000 2.951) 3.286 1.134 ( -2.306 0.000 -2.026) 3.070 1.134 ( 2.306 0.000 2.026) 3.070 1.197 ( -0.558 0.000 -1.750) 1.836 1.197 ( 0.558 0.000 1.750) 1.836 1.462 ( -1.364 0.000 -1.281) 1.871 1.462 ( 1.364 0.000 1.281) 1.871 1.520 ( -1.778 0.000 -0.756) 1.932 1.520 ( 1.778 0.000 0.756) 1.932 1.701 ( -0.725 0.000 -4.155) 4.217 1.701 ( 0.725 0.000 4.155) 4.217 2.023 ( -1.436 0.000 -0.817) 1.653 2.023 ( 1.436 0.000 0.817) 1.653 2.118 ( 1.254 0.000 -3.416) 3.639 2.118 ( -1.254 0.000 3.416) 3.639 2.884 ( -0.897 0.000 0.194) 0.918 2.884 ( 0.897 0.000 -0.194) 0.918 3.150 ( -0.383 0.000 -0.204) 0.434 3.150 ( 0.383 0.000 0.204) 0.434 3.223 ( 1.997 0.000 -0.806) 2.154 3.223 ( -1.997 0.000 0.806) 2.154 3.367 ( -2.300 0.000 -0.373) 2.330 3.367 ( 2.300 0.000 0.373) 2.330 5.475 ( -0.816 0.000 -0.109) 0.823 5.475 ( 0.816 0.000 0.109) 0.823 6.017 ( -0.752 0.000 -0.577) 0.948 6.017 ( 0.752 0.000 0.577) 0.948 7.202 ( -0.035 0.000 -0.014) 0.038 7.202 ( 0.035 0.000 0.014) 0.038 7.517 ( -0.120 0.000 -1.493) 1.498 7.517 ( 0.120 0.000 1.493) 1.498======================= Grid point 235 (111/130) =======================q-point: ( 0.00 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.462 ( 5.289 2.367 -5.097) 7.717 0.462 ( -5.289 2.367 5.097) 7.717 0.574 ( 0.532 -2.914 -9.556) 10.005 0.574 ( -0.532 -2.914 9.556) 10.005 0.932 ( -0.152 6.677 -7.086) 9.738 0.932 ( 0.152 6.677 7.086) 9.738 1.053 ( 1.314 -2.361 -4.105) 4.914 1.053 ( -1.314 -2.361 4.105) 4.914 1.141 ( 0.839 -1.358 -3.953) 4.263 1.141 ( -0.839 -1.358 3.953) 4.263 1.335 ( -7.587 -0.746 -3.544) 8.407 1.335 ( 7.587 -0.746 3.544) 8.407 1.646 ( -1.035 -2.152 -0.403) 2.421 1.646 ( 1.035 -2.152 0.403) 2.421 1.723 ( -1.024 1.340 -1.552) 2.292 1.723 ( 1.024 1.340 1.552) 2.292 1.989 ( 0.347 -1.090 -2.565) 2.808 1.989 ( -0.347 -1.090 2.565) 2.808 2.163 ( -0.326 2.825 -1.226) 3.096 2.163 ( 0.326 2.825 1.226) 3.096 2.899 ( -0.369 -0.031 -1.151) 1.209 2.899 ( 0.369 -0.031 1.151) 1.209 3.136 ( -1.280 0.685 -0.289) 1.480 3.136 ( 1.280 0.685 0.289) 1.480 3.209 ( -0.630 -0.454 -1.102) 1.349 3.209 ( 0.630 -0.454 1.102) 1.349 3.397 ( -0.576 -0.795 -1.882) 2.123 3.397 ( 0.576 -0.795 1.882) 2.123 5.497 ( 0.805 0.329 -0.633) 1.076 5.497 ( -0.805 0.329 0.633) 1.076 6.062 ( 0.704 0.043 -0.332) 0.780 6.062 ( -0.704 0.043 0.332) 0.780 7.217 ( -0.084 -0.345 -0.682) 0.769 7.217 ( 0.084 -0.345 0.682) 0.769 7.427 ( -1.712 -0.269 -0.644) 1.849 7.427 ( 1.712 -0.269 0.644) 1.849======================= Grid point 237 (112/130) =======================q-point: ( 0.12 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.373 ( -6.223 -2.066 -1.403) 6.705 0.509 ( 7.538 -0.998 -5.418) 9.337 0.575 ( 6.800 1.784 -4.595) 8.398 0.658 ( -1.474 -0.468 6.955) 7.125 0.860 ( 1.743 6.748 -7.475) 10.220 0.952 ( -3.645 -0.686 -1.051) 3.855 1.038 ( -1.103 3.946 5.400) 6.779 1.064 ( -4.215 1.050 2.351) 4.939 1.116 ( 0.248 -2.128 0.766) 2.276 1.143 ( 2.847 -1.833 -1.185) 3.587 1.289 ( 0.338 -1.898 3.585) 4.070 1.532 ( 8.077 -1.889 4.759) 9.563 1.597 ( -3.480 0.074 -0.866) 3.587 1.638 ( -1.486 -2.912 -0.815) 3.369 1.688 ( 0.330 -0.032 -3.199) 3.216 1.735 ( -0.563 1.825 -0.656) 2.020 1.969 ( 1.130 -0.828 -3.076) 3.380 2.011 ( 0.097 -0.645 1.711) 1.831 2.115 ( -2.704 3.069 1.080) 4.230 2.205 ( 2.469 1.001 -2.294) 3.516 2.881 ( -0.631 -0.258 -0.158) 0.700 2.910 ( -0.854 0.114 1.450) 1.687 3.121 ( -0.170 0.692 -0.212) 0.744 3.172 ( 1.963 0.204 -0.096) 1.976 3.185 ( -0.233 -0.409 -0.559) 0.730 3.223 ( 0.046 0.095 0.518) 0.528 3.361 ( -1.410 -0.806 -1.330) 2.099 3.422 ( -0.109 -0.715 1.580) 1.737 5.487 ( -1.091 0.276 0.457) 1.215 5.501 ( 0.449 0.332 -0.495) 0.746 6.038 ( -1.919 0.231 0.617) 2.029 6.073 ( 0.372 -0.144 -0.554) 0.683 7.209 ( -0.161 -0.280 -0.430) 0.538 7.225 ( -0.322 -0.419 0.843) 0.995 7.404 ( 0.310 0.152 -0.791) 0.863 7.465 ( 2.244 -0.472 0.042) 2.293======================= Grid point 238 (113/130) =======================q-point: ( 0.25 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.306 ( 3.433 -2.460 -3.575) 5.533 0.579 ( 0.655 3.439 -3.119) 4.689 0.587 ( 7.253 -1.570 -5.767) 9.399 0.736 ( -0.486 -0.331 6.275) 6.303 0.811 ( 3.192 3.215 -5.040) 6.776 0.905 ( 0.230 1.068 -2.247) 2.498 0.998 ( -3.536 0.109 2.008) 4.068 1.091 ( -0.957 4.156 5.919) 7.295 1.186 ( 3.197 -1.188 3.021) 4.557 1.196 ( 1.881 -2.197 2.002) 3.518 1.341 ( 0.169 -2.001 4.347) 4.788 1.507 ( -4.868 1.513 -1.529) 5.322 1.589 ( -0.784 -1.557 -2.334) 2.913 1.656 ( -0.910 -1.347 -1.952) 2.540 1.673 ( 0.493 -1.975 -1.320) 2.426 1.716 ( 2.618 0.741 0.625) 2.791 1.966 ( 2.063 0.217 -2.342) 3.129 2.029 ( 0.284 -0.565 0.877) 1.081 2.096 ( -1.372 1.709 1.564) 2.692 2.188 ( 0.238 -0.013 -4.345) 4.352 2.873 ( -0.673 -0.453 0.274) 0.857 2.903 ( -1.434 -0.159 1.176) 1.861 3.118 ( 0.043 -0.413 -0.252) 0.486 3.170 ( 0.021 0.773 0.038) 0.775 3.211 ( 0.849 -0.394 -0.402) 1.019 3.231 ( 1.360 0.446 -0.297) 1.462 3.328 ( -0.931 -0.365 -0.405) 1.079 3.426 ( -1.076 -0.392 0.990) 1.514 5.471 ( -0.872 0.260 0.028) 0.911 5.500 ( -0.154 0.234 -0.257) 0.381 6.016 ( -1.397 0.313 0.681) 1.585 6.063 ( -0.771 -0.145 -0.563) 0.966 7.203 ( -0.090 -0.239 -0.274) 0.375 7.220 ( -0.820 -0.108 0.222) 0.857 7.429 ( 2.493 0.086 0.699) 2.591 7.499 ( 1.977 -0.497 -0.532) 2.107======================= Grid point 239 (114/130) =======================q-point: ( 0.38 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.408 ( 9.508 -1.020 -0.650) 9.584 0.583 ( 1.833 3.611 1.114) 4.200 0.616 ( 1.834 -1.172 -4.436) 4.941 0.712 ( -1.514 1.219 -1.439) 2.419 0.864 ( -1.158 1.312 2.437) 3.000 0.918 ( 4.301 1.937 -2.738) 5.455 0.993 ( 0.601 -2.359 3.313) 4.111 1.132 ( 0.156 0.547 2.139) 2.214 1.216 ( -1.809 -1.171 1.511) 2.632 1.250 ( -0.336 -0.162 1.850) 1.887 1.397 ( 1.135 -0.376 4.473) 4.630 1.425 ( -2.243 0.447 0.441) 2.329 1.552 ( 0.670 -1.272 -5.400) 5.588 1.590 ( -2.381 -0.027 -3.852) 4.528 1.657 ( -0.625 -0.937 2.146) 2.424 1.748 ( -0.257 -0.579 -1.182) 1.341 1.989 ( 2.274 0.302 -0.565) 2.363 2.035 ( -0.297 -0.647 0.049) 0.714 2.099 ( -0.345 0.177 1.570) 1.617 2.144 ( 0.209 0.115 -3.672) 3.680 2.867 ( -0.093 -0.732 0.209) 0.767 2.892 ( -1.162 -0.450 0.603) 1.384 3.122 ( 0.491 -1.007 0.405) 1.192 3.168 ( -0.803 0.696 0.016) 1.062 3.213 ( 1.271 0.254 -1.419) 1.922 3.239 ( -0.483 -0.694 -0.140) 0.857 3.336 ( 1.600 0.779 0.512) 1.852 3.408 ( -1.768 0.175 0.284) 1.799 5.465 ( 0.185 0.160 0.010) 0.244 5.491 ( -0.737 0.117 -0.083) 0.751 6.009 ( -0.307 0.277 0.675) 0.791 6.041 ( -1.080 0.004 -0.483) 1.183 7.200 ( 0.066 -0.121 -0.141) 0.197 7.209 ( -0.497 0.148 -0.071) 0.524 7.481 ( 1.750 -0.239 1.502) 2.318 7.518 ( 1.127 -0.436 -1.014) 1.578======================= Grid point 240 (115/130) =======================q-point: (-0.50 0.12 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.550 ( -3.986 -0.487 -2.768) 4.877 0.550 ( 3.986 -0.487 2.768) 4.877 0.652 ( -1.284 1.471 -4.499) 4.904 0.652 ( 1.284 1.471 4.499) 4.904 0.893 ( -0.543 2.303 -3.642) 4.343 0.893 ( 0.543 2.303 3.642) 4.343 1.094 ( -3.533 -2.892 -4.035) 6.093 1.094 ( 3.533 -2.892 4.035) 6.093 1.220 ( 0.133 0.844 -4.081) 4.170 1.220 ( -0.133 0.844 4.081) 4.170 1.446 ( -0.332 -1.196 -1.566) 1.998 1.446 ( 0.332 -1.196 1.566) 1.998 1.517 ( 0.304 -0.053 -1.896) 1.921 1.517 ( -0.304 -0.053 1.896) 1.921 1.701 ( -0.884 -0.087 -3.894) 3.994 1.701 ( 0.884 -0.087 3.894) 3.994 2.019 ( 0.165 -0.178 -1.520) 1.539 2.019 ( -0.165 -0.178 1.520) 1.539 2.116 ( 1.157 -0.225 -3.192) 3.403 2.116 ( -1.157 -0.225 3.192) 3.403 2.876 ( -0.191 -0.732 -0.552) 0.936 2.876 ( 0.191 -0.732 0.552) 0.936 3.144 ( -1.210 -0.561 -0.726) 1.518 3.144 ( 1.210 -0.561 0.726) 1.518 3.225 ( 1.487 0.079 -0.968) 1.776 3.225 ( -1.487 0.079 0.968) 1.776 3.375 ( -2.000 0.690 -0.339) 2.143 3.375 ( 2.000 0.690 0.339) 2.143 5.476 ( -0.843 0.077 -0.062) 0.848 5.476 ( 0.843 0.077 0.062) 0.848 6.019 ( -0.680 0.165 -0.556) 0.893 6.019 ( 0.680 0.165 0.556) 0.893 7.202 ( -0.242 0.058 -0.008) 0.249 7.202 ( 0.242 0.058 0.008) 0.249 7.513 ( -0.168 -0.358 -1.356) 1.413 7.513 ( 0.168 -0.358 1.356) 1.413======================= Grid point 245 (116/130) =======================q-point: ( 0.00 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.490 ( -6.911 -0.011 -1.904) 7.169 0.490 ( 6.911 -0.011 1.904) 7.169 0.575 ( 3.557 3.531 -3.554) 6.144 0.575 ( -3.557 3.531 3.554) 6.144 0.981 ( -0.911 -3.419 -2.462) 4.311 0.981 ( 0.911 -3.419 2.462) 4.311 1.077 ( -2.054 2.058 -4.152) 5.069 1.077 ( 2.054 2.058 4.152) 5.069 1.095 ( 1.487 0.611 -5.774) 5.994 1.095 ( -1.487 0.611 5.774) 5.994 1.312 ( -6.213 -1.520 -3.441) 7.263 1.312 ( 6.213 -1.520 3.441) 7.263 1.587 ( 0.879 -3.244 -0.734) 3.440 1.587 ( -0.879 -3.244 0.734) 3.440 1.764 ( -1.236 2.624 -2.122) 3.594 1.764 ( 1.236 2.624 2.122) 3.594 1.982 ( -0.077 0.178 -2.595) 2.603 1.982 ( 0.077 0.178 2.595) 2.603 2.223 ( 1.233 2.873 -1.546) 3.488 2.223 ( -1.233 2.873 1.546) 3.488 2.897 ( -0.150 -0.133 -1.436) 1.450 2.897 ( 0.150 -0.133 1.436) 1.450 3.155 ( -0.153 1.063 -0.618) 1.239 3.155 ( 0.153 1.063 0.618) 1.239 3.198 ( -1.235 -0.430 -1.218) 1.787 3.198 ( 1.235 -0.430 1.218) 1.787 3.375 ( -0.726 -1.334 -1.445) 2.096 3.375 ( 0.726 -1.334 1.445) 2.096 5.501 ( 0.652 0.001 -0.396) 0.763 5.501 ( -0.652 0.001 0.396) 0.763 6.062 ( 0.619 -0.091 -0.352) 0.718 6.062 ( -0.619 -0.091 0.352) 0.718 7.212 ( -0.112 -0.143 -0.496) 0.528 7.212 ( 0.112 -0.143 0.496) 0.528 7.421 ( -1.172 -0.275 -0.595) 1.342 7.421 ( 1.172 -0.275 0.595) 1.342======================= Grid point 247 (117/130) =======================q-point: ( 0.12 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.336 ( -6.754 0.016 -1.420) 6.901 0.541 ( 2.999 3.793 -3.043) 5.714 0.618 ( 4.175 1.917 -2.642) 5.300 0.657 ( 3.059 0.250 6.382) 7.082 0.918 ( -4.170 -1.481 -2.166) 4.927 0.996 ( -0.628 4.046 -4.630) 6.181 1.038 ( 1.471 -2.105 3.679) 4.486 1.067 ( 2.323 -2.916 -4.046) 5.502 1.094 ( -2.614 -0.304 0.197) 2.639 1.152 ( 0.688 2.543 4.631) 5.328 1.248 ( -0.584 -0.938 3.091) 3.282 1.471 ( 6.284 -4.038 3.828) 8.394 1.575 ( -0.361 -2.681 0.843) 2.833 1.586 ( -0.255 -1.292 -1.455) 1.963 1.700 ( -2.573 1.602 -3.072) 4.316 1.784 ( -0.423 2.824 -0.414) 2.886 1.961 ( 0.885 -0.050 -1.856) 2.057 2.012 ( 0.661 0.555 1.410) 1.653 2.178 ( -3.137 2.959 0.093) 4.313 2.229 ( 0.533 1.287 -2.733) 3.068 2.881 ( -0.390 0.180 -0.517) 0.672 2.907 ( -1.060 -0.341 1.560) 1.917 3.137 ( -1.013 0.802 -0.566) 1.411 3.171 ( -0.074 -0.270 -0.170) 0.327 3.181 ( 1.527 0.121 -0.137) 1.538 3.228 ( 0.844 0.332 0.717) 1.157 3.340 ( -1.397 -1.058 -0.779) 1.918 3.402 ( 0.596 -1.194 0.955) 1.641 5.491 ( -0.963 0.063 0.288) 1.007 5.505 ( 0.234 -0.073 -0.285) 0.376 6.043 ( -1.601 0.197 0.484) 1.684 6.068 ( 0.115 -0.368 -0.440) 0.585 7.205 ( -0.135 -0.048 -0.338) 0.368 7.218 ( -0.084 -0.197 0.559) 0.599 7.408 ( 0.646 0.304 -0.583) 0.922 7.453 ( 1.989 -0.696 0.121) 2.111======================= Grid point 248 (118/130) =======================q-point: ( 0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.292 ( 2.475 2.292 1.544) 3.710 0.574 ( 4.954 0.877 -4.047) 6.457 0.638 ( 2.142 1.122 -3.104) 3.935 0.767 ( 2.275 2.996 6.074) 7.145 0.814 ( -3.875 -1.058 -2.849) 4.925 0.974 ( 2.769 3.094 -3.188) 5.235 1.010 ( -3.144 1.474 -1.783) 3.903 1.077 ( 1.033 -3.735 -0.427) 3.899 1.144 ( 2.236 -2.607 5.766) 6.712 1.191 ( -1.786 -2.185 3.781) 4.718 1.313 ( 2.270 0.751 4.754) 5.321 1.531 ( -2.960 -0.092 -2.591) 3.935 1.567 ( 1.094 -0.351 2.302) 2.573 1.602 ( 0.388 -2.911 -2.523) 3.872 1.631 ( -0.077 -1.025 -1.077) 1.489 1.753 ( -0.586 2.319 -2.280) 3.305 1.971 ( 1.436 0.122 -0.303) 1.472 2.031 ( 0.483 0.722 0.325) 0.927 2.130 ( -2.478 1.504 -0.004) 2.899 2.188 ( -0.925 -0.058 -3.499) 3.619 2.868 ( -0.860 0.050 -0.185) 0.881 2.897 ( -1.464 -0.349 0.926) 1.767 3.112 ( -0.842 -0.085 -0.426) 0.947 3.182 ( 0.628 0.186 0.285) 0.714 3.202 ( 0.927 -0.363 -0.101) 1.001 3.233 ( -0.384 -0.316 -0.581) 0.764 3.328 ( 0.720 0.518 0.187) 0.907 3.415 ( -0.151 -0.674 0.711) 0.991 5.476 ( -0.824 0.169 -0.023) 0.842 5.502 ( -0.343 -0.133 -0.128) 0.390 6.023 ( -1.239 0.359 0.533) 1.396 6.058 ( -0.723 -0.380 -0.396) 0.907 7.200 ( -0.030 0.056 -0.181) 0.192 7.218 ( -0.441 -0.063 0.280) 0.526 7.433 ( 2.232 0.292 0.341) 2.277 7.486 ( 1.924 -0.788 -0.381) 2.113======================= Grid point 249 (119/130) =======================q-point: ( 0.38 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.417 ( 7.666 2.404 2.919) 8.548 0.602 ( 2.710 -0.082 -3.424) 4.367 0.643 ( 1.394 1.099 -1.250) 2.171 0.719 ( -3.750 0.251 -1.608) 4.088 0.889 ( 4.417 1.284 3.536) 5.801 0.953 ( -1.462 -1.033 0.554) 1.874 0.987 ( 1.493 2.817 -3.161) 4.489 1.081 ( 0.200 -4.053 -1.151) 4.218 1.184 ( -2.646 -3.637 3.323) 5.592 1.236 ( 0.543 -0.525 5.046) 5.102 1.392 ( -0.610 -1.223 2.435) 2.793 1.447 ( -1.763 3.010 1.173) 3.680 1.522 ( -0.825 -1.761 -5.941) 6.251 1.607 ( -1.392 1.475 -2.457) 3.186 1.636 ( 2.175 -0.932 1.942) 3.061 1.730 ( -0.144 -0.883 -1.908) 2.107 1.997 ( 1.402 0.353 0.479) 1.523 2.034 ( -0.305 0.611 -0.009) 0.683 2.102 ( -0.591 0.076 -0.155) 0.616 2.138 ( -1.121 -0.643 -2.086) 2.454 2.854 ( -0.447 -0.407 0.152) 0.623 2.881 ( -1.210 -0.572 0.046) 1.339 3.107 ( 0.333 -0.410 0.343) 0.630 3.170 ( -1.846 -0.550 -0.583) 2.012 3.215 ( 1.003 -0.220 -0.325) 1.078 3.226 ( 0.220 -0.249 -0.200) 0.388 3.358 ( 1.940 1.302 0.427) 2.375 3.412 ( -0.894 0.154 0.344) 0.970 5.469 ( 0.067 0.148 -0.063) 0.174 5.491 ( -0.813 -0.134 -0.029) 0.824 6.015 ( -0.340 0.350 0.551) 0.736 6.039 ( -0.875 -0.142 -0.351) 0.954 7.200 ( 0.160 0.127 -0.051) 0.210 7.212 ( -0.476 0.111 0.021) 0.489 7.477 ( 1.715 -0.155 0.983) 1.983 7.506 ( 1.123 -0.665 -0.769) 1.514======================= Grid point 250 (120/130) =======================q-point: (-0.50 0.25 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.564 ( -4.802 1.608 -2.329) 5.574 0.564 ( 4.802 1.608 2.329) 5.574 0.657 ( -0.661 -0.527 -1.639) 1.844 0.657 ( 0.661 -0.527 1.639) 1.844 0.947 ( -1.108 1.434 -2.263) 2.899 0.947 ( 1.108 1.434 2.263) 2.899 1.028 ( -2.817 -3.184 -2.611) 4.989 1.028 ( 2.817 -3.184 2.611) 4.989 1.217 ( -2.010 -0.319 -3.184) 3.779 1.217 ( 2.010 -0.319 3.184) 3.779 1.417 ( -0.921 -2.001 -5.575) 5.994 1.417 ( 0.921 -2.001 5.575) 5.994 1.534 ( -0.529 2.028 -5.438) 5.827 1.534 ( 0.529 2.028 5.438) 5.827 1.693 ( -0.978 -0.730 -2.877) 3.126 1.693 ( 0.978 -0.730 2.877) 3.126 2.022 ( -0.124 0.412 -0.933) 1.028 2.022 ( 0.124 0.412 0.933) 1.028 2.107 ( 1.065 -0.648 -2.426) 2.727 2.107 ( -1.065 -0.648 2.426) 2.727 2.860 ( -0.119 -0.702 -0.910) 1.156 2.860 ( 0.119 -0.702 0.910) 1.156 3.130 ( -1.381 -0.709 -0.950) 1.821 3.130 ( 1.381 -0.709 0.950) 1.821 3.225 ( 0.707 -0.043 -1.114) 1.321 3.225 ( -0.707 -0.043 1.114) 1.321 3.392 ( -1.328 0.933 -0.242) 1.641 3.392 ( 1.328 0.933 0.242) 1.641 5.476 ( -0.773 -0.022 -0.007) 0.774 5.476 ( 0.773 -0.022 0.007) 0.774 6.023 ( -0.494 0.155 -0.455) 0.689 6.023 ( 0.494 0.155 0.455) 0.689 7.205 ( -0.330 0.150 -0.029) 0.364 7.205 ( 0.330 0.150 0.029) 0.364 7.504 ( -0.216 -0.458 -0.996) 1.117 7.504 ( 0.216 -0.458 0.996) 1.117======================= Grid point 255 (121/130) =======================q-point: ( 0.00 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.520 ( -7.326 3.282 -1.218) 8.120 0.520 ( 7.326 3.282 1.218) 8.120 0.658 ( -0.160 3.784 -1.049) 3.930 0.658 ( 0.160 3.784 1.049) 3.930 0.884 ( -0.681 -6.054 -1.660) 6.314 0.884 ( 0.681 -6.054 1.660) 6.314 1.013 ( -1.317 -2.834 -2.141) 3.788 1.013 ( 1.317 -2.834 2.141) 3.788 1.194 ( 0.105 3.815 -2.556) 4.593 1.194 ( -0.105 3.815 2.556) 4.593 1.279 ( -3.555 -1.469 -2.533) 4.606 1.279 ( 3.555 -1.469 2.533) 4.606 1.529 ( -0.309 -2.175 -0.281) 2.215 1.529 ( 0.309 -2.175 0.281) 2.215 1.826 ( -1.335 3.155 -1.912) 3.923 1.826 ( 1.335 3.155 1.912) 3.923 1.984 ( -0.443 -0.197 -2.127) 2.182 1.984 ( 0.443 -0.197 2.127) 2.182 2.271 ( 1.003 1.705 -1.119) 2.273 2.271 ( -1.003 1.705 1.119) 2.273 2.894 ( 0.107 -0.089 -1.005) 1.015 2.894 ( -0.107 -0.089 1.005) 1.015 3.170 ( 0.100 0.193 -0.612) 0.649 3.170 ( -0.100 0.193 0.612) 0.649 3.200 ( -1.651 0.666 -0.860) 1.977 3.200 ( 1.651 0.666 0.860) 1.977 3.347 ( -0.788 -1.274 -0.841) 1.718 3.347 ( 0.788 -1.274 0.841) 1.718 5.497 ( 0.352 -0.281 -0.185) 0.487 5.497 ( -0.352 -0.281 0.185) 0.487 6.059 ( 0.305 -0.151 -0.202) 0.396 6.059 ( -0.305 -0.151 0.202) 0.396 7.212 ( -0.095 0.099 -0.265) 0.299 7.212 ( 0.095 0.099 0.265) 0.299 7.417 ( -0.572 -0.152 -0.349) 0.687 7.417 ( 0.572 -0.152 0.349) 0.687======================= Grid point 257 (122/130) =======================q-point: ( 0.12 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.403 ( -5.750 6.066 2.087) 8.614 0.628 ( 0.514 -1.904 -0.689) 2.089 0.643 ( 1.836 5.803 -1.902) 6.377 0.678 ( 3.458 2.959 2.084) 5.005 0.883 ( 0.396 -3.573 0.238) 3.603 0.922 ( 2.102 -6.720 -2.511) 7.475 0.988 ( -0.482 -0.689 4.173) 4.257 1.059 ( 1.439 -2.978 1.889) 3.809 1.123 ( -2.910 2.877 -4.001) 5.723 1.158 ( -4.105 0.352 -0.775) 4.193 1.272 ( 1.883 1.659 1.741) 3.055 1.382 ( 4.396 -4.305 2.268) 6.557 1.541 ( 1.567 -0.648 1.525) 2.280 1.558 ( 1.622 -1.245 -0.067) 2.045 1.755 ( -3.507 3.578 -2.673) 5.679 1.836 ( -0.865 1.605 -1.152) 2.157 1.966 ( 0.307 0.768 -0.272) 0.870 2.019 ( 1.075 -0.212 1.200) 1.625 2.228 ( -3.272 1.851 -1.035) 3.900 2.250 ( -1.417 0.643 -2.532) 2.972 2.887 ( -0.163 0.371 -0.349) 0.535 2.900 ( -0.807 -0.345 1.109) 1.415 3.148 ( -1.471 0.351 -1.121) 1.882 3.166 ( 0.125 -0.378 -0.260) 0.476 3.191 ( 0.438 0.914 0.488) 1.125 3.231 ( 0.359 -0.313 0.671) 0.823 3.328 ( -0.040 0.094 -0.181) 0.208 3.374 ( 1.202 -1.484 0.560) 1.990 5.490 ( -0.660 -0.088 0.115) 0.676 5.499 ( 0.027 -0.434 -0.143) 0.458 6.046 ( -1.137 0.179 0.242) 1.176 6.059 ( -0.243 -0.462 -0.243) 0.576 7.208 ( -0.108 0.283 -0.130) 0.329 7.216 ( 0.001 -0.066 0.317) 0.324 7.416 ( 0.976 0.436 -0.335) 1.120 7.439 ( 1.649 -0.687 0.073) 1.788======================= Grid point 258 (123/130) =======================q-point: ( 0.25 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.398 ( 0.713 6.956 4.522) 8.327 0.612 ( -0.231 -0.408 -0.781) 0.911 0.645 ( 1.474 2.961 -2.199) 3.972 0.756 ( 2.378 -1.051 -1.281) 2.898 0.875 ( -0.504 2.664 1.054) 2.909 0.933 ( 1.072 -5.206 -0.216) 5.319 1.040 ( -1.702 0.303 -1.507) 2.293 1.052 ( 1.371 -0.281 0.035) 1.400 1.071 ( -3.468 -2.923 0.434) 4.556 1.124 ( 1.855 -2.114 4.376) 5.202 1.336 ( 2.198 0.887 2.799) 3.668 1.465 ( 3.878 -5.381 -0.436) 6.647 1.553 ( -1.122 1.048 -0.814) 1.738 1.601 ( 1.866 -0.812 1.140) 2.333 1.665 ( -3.131 4.620 -1.848) 5.879 1.788 ( -2.012 0.440 -2.596) 3.314 1.980 ( 0.815 1.161 0.680) 1.573 2.042 ( 0.648 -0.138 0.209) 0.695 2.156 ( -3.195 1.050 -1.403) 3.644 2.183 ( -2.667 -0.412 -2.571) 3.727 2.874 ( -1.131 0.440 -0.262) 1.241 2.890 ( -1.117 -0.317 0.298) 1.198 3.117 ( -1.061 0.628 -0.376) 1.289 3.168 ( -0.094 -1.370 -0.049) 1.374 3.204 ( 0.554 0.395 0.147) 0.696 3.223 ( -0.552 -0.541 -0.448) 0.894 3.348 ( 1.780 1.309 0.511) 2.268 3.398 ( 0.808 -0.974 0.627) 1.412 5.479 ( -0.642 0.137 -0.033) 0.657 5.495 ( -0.395 -0.514 -0.072) 0.652 6.030 ( -0.988 0.355 0.310) 1.094 6.048 ( -0.706 -0.511 -0.174) 0.889 7.205 ( -0.075 0.372 -0.022) 0.380 7.217 ( -0.245 -0.106 0.201) 0.335 7.441 ( 2.010 0.505 0.094) 2.074 7.469 ( 1.879 -0.826 -0.218) 2.064======================= Grid point 259 (124/130) =======================q-point: ( 0.38 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.494 ( 4.340 4.176 3.664) 7.050 0.608 ( -0.237 -0.279 0.524) 0.639 0.647 ( 1.258 1.487 -1.554) 2.491 0.727 ( -1.371 0.584 -3.392) 3.705 0.889 ( 0.252 -2.477 -0.211) 2.499 0.927 ( -2.114 -2.746 0.836) 3.564 1.001 ( -0.348 -0.775 -0.988) 1.303 1.017 ( -0.623 -1.699 -1.676) 2.467 1.121 ( 3.113 0.034 3.573) 4.738 1.227 ( 2.892 -1.158 5.971) 6.734 1.362 ( -2.436 -0.641 -0.842) 2.656 1.465 ( -0.615 -3.818 -5.424) 6.662 1.525 ( -0.433 3.846 2.268) 4.486 1.615 ( 2.149 -0.692 -1.086) 2.505 1.656 ( -0.236 2.631 1.124) 2.871 1.720 ( -2.450 -0.230 -2.219) 3.314 2.003 ( 0.981 0.416 0.627) 1.236 2.042 ( -0.593 -0.352 -0.233) 0.728 2.106 ( -1.077 0.404 -0.850) 1.430 2.124 ( -1.746 -0.574 -1.027) 2.105 2.852 ( -0.861 0.231 -0.024) 0.891 2.870 ( -1.123 -0.480 -0.431) 1.295 3.106 ( -0.138 0.331 0.182) 0.402 3.148 ( -1.698 -1.426 -0.413) 2.255 3.213 ( 0.622 0.131 0.128) 0.649 3.223 ( 0.667 -0.172 -0.483) 0.841 3.385 ( 1.683 1.208 0.427) 2.115 3.412 ( 0.106 -0.143 0.444) 0.478 5.471 ( -0.104 0.158 -0.044) 0.194 5.485 ( -0.646 -0.412 -0.026) 0.766 6.022 ( -0.365 0.317 0.350) 0.597 6.035 ( -0.629 -0.286 -0.140) 0.705 7.205 ( 0.054 0.308 0.026) 0.314 7.213 ( -0.344 -0.001 0.042) 0.346 7.476 ( 1.538 0.115 0.450) 1.606 7.492 ( 1.184 -0.629 -0.423) 1.406======================= Grid point 260 (125/130) =======================q-point: (-0.50 0.38 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 104Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.589 ( -2.692 0.171 -0.987) 2.872 0.589 ( 2.692 0.171 0.987) 2.872 0.666 ( -1.114 2.231 -2.193) 3.321 0.666 ( 1.114 2.231 2.193) 3.321 0.896 ( -1.729 -4.763 0.343) 5.079 0.896 ( 1.729 -4.763 -0.343) 5.079 0.999 ( 0.672 -0.601 -0.788) 1.197 0.999 ( -0.672 -0.601 0.788) 1.197 1.237 ( -4.128 2.239 -4.631) 6.595 1.237 ( 4.128 2.239 4.631) 6.595 1.363 ( -2.539 -3.176 -6.393) 7.577 1.363 ( 2.539 -3.176 6.393) 7.577 1.590 ( -0.562 3.031 -5.113) 5.970 1.590 ( 0.562 3.031 5.113) 5.970 1.674 ( -1.636 -1.058 -0.499) 2.011 1.674 ( 1.636 -1.058 0.499) 2.011 2.024 ( -0.078 -0.445 -0.933) 1.037 2.024 ( 0.078 -0.445 0.933) 1.037 2.099 ( 0.193 0.111 -0.744) 0.777 2.099 ( -0.193 0.111 0.744) 0.777 2.850 ( -0.065 -0.257 -0.710) 0.758 2.850 ( 0.065 -0.257 0.710) 0.758 3.118 ( -0.836 -0.497 -0.655) 1.173 3.118 ( 0.836 -0.497 0.655) 1.173 3.224 ( 0.232 -0.081 -0.793) 0.830 3.224 ( -0.232 -0.081 0.793) 0.830 3.409 ( -0.612 0.649 -0.126) 0.901 3.409 ( 0.612 0.649 0.126) 0.901 5.475 ( -0.430 -0.115 -0.028) 0.446 5.475 ( 0.430 -0.115 0.028) 0.446 6.025 ( -0.252 0.059 -0.255) 0.363 6.025 ( 0.252 0.059 0.255) 0.363 7.208 ( -0.218 0.156 -0.036) 0.270 7.208 ( 0.218 0.156 0.036) 0.270 7.496 ( -0.152 -0.295 -0.516) 0.614 7.496 ( 0.152 -0.295 0.516) 0.614======================= Grid point 265 (126/130) =======================q-point: ( 0.00 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 65Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.578 ( -0.000 -0.000 0.000) 0.000 0.578 ( 0.000 0.000 0.000) 0.000 0.708 ( 0.000 0.000 0.000) 0.000 0.708 ( -0.000 0.000 0.000) 0.000 0.788 ( -0.000 -0.000 0.000) 0.000 0.788 ( -0.000 0.000 0.000) 0.000 0.983 ( -0.000 0.000 0.000) 0.000 0.983 ( -0.000 0.000 0.000) 0.000 1.234 ( -0.000 0.000 -0.000) 0.000 1.234 ( 0.000 0.000 0.000) 0.000 1.262 ( -0.000 0.000 0.000) 0.000 1.262 ( -0.000 0.000 0.000) 0.000 1.506 ( 0.000 0.000 0.000) 0.000 1.506 ( -0.000 0.000 0.000) 0.000 1.866 ( -0.000 -0.000 0.000) 0.000 1.866 ( -0.000 0.000 -0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 1.977 ( -0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.289 ( -0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 -0.000) 0.000 2.893 ( -0.000 0.000 0.000) 0.000 3.170 ( -0.000 0.000 -0.000) 0.000 3.170 ( -0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.210 ( -0.000 0.000 0.000) 0.000 3.332 ( 0.000 -0.000 0.000) 0.000 3.332 ( -0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 5.494 ( -0.000 0.000 0.000) 0.000 6.057 ( 0.000 0.000 0.000) 0.000 6.057 ( -0.000 0.000 0.000) 0.000 7.213 ( -0.000 0.000 0.000) 0.000 7.213 ( -0.000 0.000 0.000) 0.000 7.415 ( -0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000======================= Grid point 269 (127/130) =======================q-point: ( 0.12 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.539 ( -3.331 -6.331 1.783) 7.373 0.539 ( -3.331 6.331 1.783) 7.373 0.760 ( 2.201 -5.401 -0.982) 5.915 0.760 ( 2.201 5.401 -0.982) 5.915 0.790 ( 2.763 -5.808 -0.300) 6.439 0.790 ( 2.763 5.808 -0.300) 6.439 1.007 ( 0.400 -1.893 3.452) 3.957 1.007 ( 0.400 1.893 3.452) 3.957 1.158 ( -4.152 -0.868 -3.036) 5.216 1.158 ( -4.152 0.868 -3.036) 5.216 1.310 ( 2.853 -2.562 1.166) 4.008 1.310 ( 2.853 2.562 1.166) 4.008 1.540 ( 2.370 -0.453 1.185) 2.688 1.540 ( 2.370 0.453 1.185) 2.688 1.825 ( -2.617 -2.583 -2.208) 4.288 1.825 ( -2.617 2.583 -2.208) 4.288 1.997 ( 0.977 -1.813 0.955) 2.271 1.997 ( 0.977 1.813 0.955) 2.271 2.252 ( -2.767 -0.509 -1.931) 3.413 2.252 ( -2.767 0.509 -1.931) 3.413 2.894 ( -0.343 -0.294 0.319) 0.553 2.894 ( -0.343 0.294 0.319) 0.553 3.156 ( -0.642 -0.478 -0.801) 1.132 3.156 ( -0.642 0.478 -0.801) 1.132 3.214 ( -0.319 -1.175 0.623) 1.368 3.214 ( -0.319 1.175 0.623) 1.368 3.345 ( 1.265 -1.324 0.288) 1.854 3.345 ( 1.265 1.324 0.288) 1.854 5.491 ( -0.275 -0.243 -0.024) 0.368 5.491 ( -0.275 0.243 -0.024) 0.368 6.051 ( -0.664 -0.327 -0.010) 0.740 6.051 ( -0.664 0.327 -0.010) 0.740 7.213 ( -0.046 -0.221 0.094) 0.244 7.213 ( -0.046 0.221 0.094) 0.244 7.426 ( 1.303 -0.571 -0.098) 1.425 7.426 ( 1.303 0.571 -0.098) 1.425======================= Grid point 271 (128/130) =======================q-point: ( 0.25 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.533 ( -0.526 -5.843 2.775) 6.490 0.533 ( -0.526 5.843 2.775) 6.490 0.747 ( 0.193 -3.059 -2.418) 3.904 0.747 ( 0.193 3.059 -2.418) 3.904 0.850 ( 1.751 -1.308 0.618) 2.271 0.850 ( 1.751 1.308 0.618) 2.271 1.045 ( -2.544 -0.770 0.146) 2.662 1.045 ( -2.544 0.770 0.146) 2.662 1.084 ( 1.154 -1.739 1.723) 2.706 1.084 ( 1.154 1.739 1.723) 2.706 1.373 ( 3.235 -3.236 0.165) 4.579 1.373 ( 3.235 3.236 0.165) 4.579 1.579 ( 0.649 -1.274 0.336) 1.469 1.579 ( 0.649 1.274 0.336) 1.469 1.755 ( -2.583 -3.511 -1.675) 4.670 1.755 ( -2.583 3.511 -1.675) 4.670 2.018 ( 0.562 -2.040 0.312) 2.139 2.018 ( 0.562 2.040 0.312) 2.139 2.173 ( -3.407 -0.636 -2.012) 4.007 2.173 ( -3.407 0.636 -2.012) 4.007 2.883 ( -1.070 -0.439 -0.140) 1.165 2.883 ( -1.070 0.439 -0.140) 1.165 3.138 ( -0.885 -1.365 -0.223) 1.642 3.138 ( -0.885 1.365 -0.223) 1.642 3.213 ( 0.113 -0.471 -0.104) 0.495 3.213 ( 0.113 0.471 -0.104) 0.495 3.375 ( 1.577 -1.274 0.610) 2.117 3.375 ( 1.577 1.274 0.610) 2.117 5.484 ( -0.460 -0.428 -0.049) 0.630 5.484 ( -0.460 0.428 -0.049) 0.630 6.038 ( -0.787 -0.444 0.066) 0.906 6.038 ( -0.787 0.444 0.066) 0.906 7.213 ( -0.156 -0.311 0.100) 0.362 7.213 ( -0.156 0.312 0.100) 0.362 7.453 ( 1.895 -0.698 -0.071) 2.021 7.453 ( 1.895 0.698 -0.071) 2.021======================= Grid point 273 (129/130) =======================q-point: ( 0.38 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.565 ( 0.784 -3.006 1.868) 3.625 0.565 ( 0.784 3.006 1.868) 3.625 0.724 ( -0.503 -2.963 -1.131) 3.211 0.724 ( -0.503 2.963 -1.131) 3.211 0.848 ( -1.354 -1.585 -0.639) 2.180 0.848 ( -1.354 1.585 -0.639) 2.180 1.000 ( -0.309 -0.417 -1.571) 1.655 1.000 ( -0.309 0.417 -1.571) 1.655 1.174 ( 3.219 -3.644 5.382) 7.253 1.174 ( 3.219 3.644 5.382) 7.253 1.389 ( -0.475 -3.032 -3.277) 4.490 1.389 ( -0.475 3.032 -3.277) 4.490 1.587 ( 1.436 -2.181 0.398) 2.641 1.587 ( 1.436 2.181 0.398) 2.641 1.704 ( -2.521 -1.654 -0.529) 3.061 1.704 ( -2.521 1.654 -0.529) 3.061 2.020 ( -0.243 -1.297 -0.189) 1.333 2.020 ( -0.243 1.297 -0.189) 1.333 2.115 ( -1.358 -0.420 -0.678) 1.575 2.115 ( -1.358 0.420 -0.678) 1.575 2.860 ( -1.031 -0.482 -0.374) 1.198 2.860 ( -1.031 0.482 -0.374) 1.198 3.121 ( -0.899 -1.116 -0.036) 1.433 3.121 ( -0.899 1.116 -0.036) 1.433 3.218 ( 0.589 -0.317 -0.229) 0.707 3.218 ( 0.589 0.317 -0.229) 0.707 3.404 ( 1.016 -0.689 0.467) 1.313 3.404 ( 1.016 0.689 0.467) 1.313 5.477 ( -0.351 -0.359 -0.029) 0.503 5.477 ( -0.351 0.359 -0.029) 0.503 6.029 ( -0.446 -0.313 0.107) 0.555 6.029 ( -0.446 0.313 0.107) 0.555 7.211 ( -0.152 -0.213 0.046) 0.266 7.211 ( -0.152 0.213 0.046) 0.266 7.482 ( 1.332 -0.410 -0.016) 1.393 7.482 ( 1.332 0.410 -0.016) 1.393======================= Grid point 275 (130/130) =======================q-point: (-0.50 -0.50 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 65Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.585 ( 0.000 0.000 -0.000) 0.000 0.585 ( 0.000 0.000 0.000) 0.000 0.712 ( -0.000 -0.000 -0.000) 0.000 0.712 ( 0.000 0.000 -0.000) 0.000 0.826 ( 0.000 0.000 -0.000) 0.000 0.826 ( 0.000 0.000 -0.000) 0.000 0.991 ( 0.000 0.000 -0.000) 0.000 0.991 ( 0.000 0.000 -0.000) 0.000 1.288 ( 0.000 -0.000 0.000) 0.000 1.288 ( 0.000 0.000 0.000) 0.000 1.303 ( -0.000 -0.000 -0.000) 0.000 1.303 ( -0.000 0.000 -0.000) 0.000 1.635 ( 0.000 -0.000 -0.000) 0.000 1.635 ( 0.000 -0.000 0.000) 0.000 1.654 ( -0.000 0.000 -0.000) 0.000 1.654 ( -0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 -0.000) 0.000 2.103 ( 0.000 0.000 -0.000) 0.000 2.103 ( 0.000 0.000 -0.000) 0.000 2.848 ( 0.000 0.000 -0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 3.112 ( -0.000 -0.000 -0.000) 0.000 3.112 ( -0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 -0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.416 ( 0.000 0.000 -0.000) 0.000 3.416 ( 0.000 0.000 -0.000) 0.000 5.473 ( 0.000 0.000 -0.000) 0.000 5.473 ( 0.000 0.000 -0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 -0.000) 0.000 7.210 ( 0.000 0.000 -0.000) 0.000 7.210 ( 0.000 0.000 -0.000) 0.000 7.493 ( 0.000 0.000 -0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000=================== 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 3/13824 10.0 5.961 4.901 5.201 0.000 -1.175 0.000 3/13824 20.0 1.770 1.549 1.660 0.000 -0.343 0.000 3/13824 30.0 1.008 0.896 0.970 0.000 -0.179 0.000 3/13824 40.0 0.712 0.634 0.691 0.000 -0.120 0.000 3/13824 50.0 0.554 0.494 0.539 0.000 -0.090 0.000 3/13824 60.0 0.456 0.405 0.443 0.000 -0.072 0.000 3/13824 70.0 0.389 0.344 0.377 0.000 -0.061 0.000 3/13824 80.0 0.341 0.300 0.329 0.000 -0.052 0.000 3/13824 90.0 0.304 0.266 0.291 0.000 -0.046 0.000 3/13824 100.0 0.275 0.239 0.262 0.000 -0.041 0.000 3/13824 110.0 0.251 0.217 0.238 0.000 -0.036 0.000 3/13824 120.0 0.231 0.199 0.218 0.000 -0.033 0.000 3/13824 130.0 0.215 0.183 0.202 0.000 -0.030 0.000 3/13824 140.0 0.201 0.170 0.187 0.000 -0.028 0.000 3/13824 150.0 0.188 0.159 0.175 0.000 -0.026 0.000 3/13824 160.0 0.178 0.149 0.164 0.000 -0.024 0.000 3/13824 170.0 0.168 0.140 0.155 0.000 -0.023 0.000 3/13824 180.0 0.160 0.133 0.146 0.000 -0.021 0.000 3/13824 190.0 0.152 0.126 0.139 0.000 -0.020 0.000 3/13824 200.0 0.145 0.120 0.132 0.000 -0.019 0.000 3/13824 210.0 0.139 0.114 0.126 0.000 -0.018 0.000 3/13824 220.0 0.133 0.109 0.120 0.000 -0.017 0.000 3/13824 230.0 0.128 0.104 0.115 0.000 -0.016 0.000 3/13824 240.0 0.123 0.100 0.110 0.000 -0.016 0.000 3/13824 250.0 0.119 0.096 0.106 0.000 -0.015 0.000 3/13824 260.0 0.114 0.092 0.102 0.000 -0.014 0.000 3/13824 270.0 0.111 0.089 0.098 0.000 -0.014 0.000 3/13824 280.0 0.107 0.086 0.095 0.000 -0.013 0.000 3/13824 290.0 0.104 0.083 0.092 0.000 -0.013 0.000 3/13824 300.0 0.101 0.080 0.089 0.000 -0.012 0.000 3/13824 310.0 0.098 0.078 0.086 0.000 -0.012 0.000 3/13824 320.0 0.095 0.075 0.083 0.000 -0.011 0.000 3/13824 330.0 0.092 0.073 0.081 0.000 -0.011 0.000 3/13824 340.0 0.090 0.071 0.078 0.000 -0.011 0.000 3/13824 350.0 0.087 0.069 0.076 0.000 -0.010 0.000 3/13824 360.0 0.085 0.067 0.074 0.000 -0.010 0.000 3/13824 370.0 0.083 0.065 0.072 0.000 -0.010 0.000 3/13824 380.0 0.081 0.064 0.070 0.000 -0.009 0.000 3/13824 390.0 0.079 0.062 0.068 0.000 -0.009 0.000 3/13824 400.0 0.077 0.060 0.067 0.000 -0.009 0.000 3/13824 410.0 0.076 0.059 0.065 0.000 -0.009 0.000 3/13824 420.0 0.074 0.058 0.064 0.000 -0.008 0.000 3/13824 430.0 0.072 0.056 0.062 0.000 -0.008 0.000 3/13824 440.0 0.071 0.055 0.061 0.000 -0.008 0.000 3/13824 450.0 0.070 0.054 0.060 0.000 -0.008 0.000 3/13824 460.0 0.068 0.053 0.058 0.000 -0.008 0.000 3/13824 470.0 0.067 0.052 0.057 0.000 -0.007 0.000 3/13824 480.0 0.066 0.050 0.056 0.000 -0.007 0.000 3/13824 490.0 0.064 0.049 0.055 0.000 -0.007 0.000 3/13824 500.0 0.063 0.048 0.054 0.000 -0.007 0.000 3/13824 510.0 0.062 0.048 0.053 0.000 -0.007 0.000 3/13824 520.0 0.061 0.047 0.052 0.000 -0.007 0.000 3/13824 530.0 0.060 0.046 0.051 0.000 -0.007 0.000 3/13824 540.0 0.059 0.045 0.050 0.000 -0.006 0.000 3/13824 550.0 0.058 0.044 0.049 0.000 -0.006 0.000 3/13824 560.0 0.057 0.043 0.048 0.000 -0.006 0.000 3/13824 570.0 0.056 0.043 0.047 0.000 -0.006 0.000 3/13824 580.0 0.055 0.042 0.046 0.000 -0.006 0.000 3/13824 590.0 0.054 0.041 0.046 0.000 -0.006 0.000 3/13824 600.0 0.053 0.040 0.045 0.000 -0.006 0.000 3/13824 610.0 0.053 0.040 0.044 0.000 -0.006 0.000 3/13824 620.0 0.052 0.039 0.043 0.000 -0.006 0.000 3/13824 630.0 0.051 0.039 0.043 0.000 -0.005 0.000 3/13824 640.0 0.050 0.038 0.042 0.000 -0.005 0.000 3/13824 650.0 0.050 0.037 0.042 0.000 -0.005 0.000 3/13824 660.0 0.049 0.037 0.041 0.000 -0.005 0.000 3/13824 670.0 0.048 0.036 0.040 0.000 -0.005 0.000 3/13824 680.0 0.048 0.036 0.040 0.000 -0.005 0.000 3/13824 690.0 0.047 0.035 0.039 0.000 -0.005 0.000 3/13824 700.0 0.046 0.035 0.039 0.000 -0.005 0.000 3/13824 710.0 0.046 0.034 0.038 0.000 -0.005 0.000 3/13824 720.0 0.045 0.034 0.038 0.000 -0.005 0.000 3/13824 730.0 0.045 0.033 0.037 0.000 -0.005 0.000 3/13824 740.0 0.044 0.033 0.037 0.000 -0.005 0.000 3/13824 750.0 0.043 0.032 0.036 0.000 -0.005 0.000 3/13824 760.0 0.043 0.032 0.036 0.000 -0.004 0.000 3/13824 770.0 0.042 0.032 0.035 0.000 -0.004 0.000 3/13824 780.0 0.042 0.031 0.035 0.000 -0.004 0.000 3/13824 790.0 0.041 0.031 0.034 0.000 -0.004 0.000 3/13824 800.0 0.041 0.030 0.034 0.000 -0.004 0.000 3/13824 810.0 0.041 0.030 0.033 0.000 -0.004 0.000 3/13824 820.0 0.040 0.030 0.033 0.000 -0.004 0.000 3/13824 830.0 0.040 0.029 0.033 0.000 -0.004 0.000 3/13824 840.0 0.039 0.029 0.032 0.000 -0.004 0.000 3/13824 850.0 0.039 0.029 0.032 0.000 -0.004 0.000 3/13824 860.0 0.038 0.028 0.032 0.000 -0.004 0.000 3/13824 870.0 0.038 0.028 0.031 0.000 -0.004 0.000 3/13824 880.0 0.038 0.028 0.031 0.000 -0.004 0.000 3/13824 890.0 0.037 0.027 0.030 0.000 -0.004 0.000 3/13824 900.0 0.037 0.027 0.030 0.000 -0.004 0.000 3/13824 910.0 0.036 0.027 0.030 0.000 -0.004 0.000 3/13824 920.0 0.036 0.027 0.030 0.000 -0.004 0.000 3/13824 930.0 0.036 0.026 0.029 0.000 -0.004 0.000 3/13824 940.0 0.035 0.026 0.029 0.000 -0.004 0.000 3/13824 950.0 0.035 0.026 0.029 0.000 -0.004 0.000 3/13824 960.0 0.035 0.025 0.028 0.000 -0.003 0.000 3/13824 970.0 0.034 0.025 0.028 0.000 -0.003 0.000 3/13824 980.0 0.034 0.025 0.028 0.000 -0.003 0.000 3/13824 990.0 0.034 0.025 0.027 0.000 -0.003 0.000 3/13824 1000.0 0.033 0.024 0.027 0.000 -0.003 0.000 3/13824Thermal conductivity related properties were written into "kappa-m886.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 08:51:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|