----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:38:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.103961880088692 -1.892931380000000 0.000000000000000 b 6.103961880088692 1.892931380000000 0.000000000000000 c -1.993964117031843 0.000000000000000 6.194486599074119 Atomic positions (fractional): *1 O 0.64401607957072 0.64401607957072 0.20334853195621 15.999 2 O 0.35598392042928 0.35598392042928 0.79665146804379 15.999 *3 O 0.26341982705153 0.26341982705153 0.14148923966413 15.999 4 O 0.73658017294847 0.73658017294847 0.85851076033587 15.999 *5 O 0.14053451913166 0.14053451913166 0.52791629112455 15.999 6 O 0.85946548086834 0.85946548086834 0.47208370887545 15.999 *7 O 0.05771201301535 0.05771201301535 0.86347012756016 15.999 8 O 0.94228798698465 0.94228798698465 0.13652987243984 15.999 *9 Al 0.20204275358229 0.20204275358229 0.82436896264488 26.982 10 Al 0.79795724641771 0.79795724641771 0.17563103735512 26.982 *11 Nb 0.89498386095685 0.89498386095685 0.76402237845203 92.906 12 Nb 0.10501613904315 0.10501613904315 0.23597762154797 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.207923760177383 0.000000000000000 0.000000000000000 b 0.000000000000000 3.785862759999999 0.000000000000000 c -1.993964117031843 0.000000000000000 6.194486599074119 Atomic positions (fractional): *1 O 0.14401607957072 0.50000000000000 0.20334853195621 15.999 > 1 2 O 0.35598392042928 0.00000000000000 0.79665146804379 15.999 > 2 *3 O 0.26341982705153 0.00000000000000 0.14148923966413 15.999 > 3 4 O 0.23658017294847 0.50000000000000 0.85851076033587 15.999 > 4 *5 O 0.14053451913166 0.00000000000000 0.52791629112455 15.999 > 5 6 O 0.35946548086834 0.50000000000000 0.47208370887545 15.999 > 6 *7 O 0.05771201301535 0.00000000000000 0.86347012756016 15.999 > 7 8 O 0.44228798698465 0.50000000000000 0.13652987243984 15.999 > 8 9 O 0.64401607957072 0.00000000000000 0.20334853195621 15.999 > 1 10 O 0.85598392042928 0.50000000000000 0.79665146804379 15.999 > 2 11 O 0.76341982705153 0.50000000000000 0.14148923966413 15.999 > 3 12 O 0.73658017294847 0.00000000000000 0.85851076033587 15.999 > 4 13 O 0.64053451913166 0.50000000000000 0.52791629112455 15.999 > 5 14 O 0.85946548086834 0.00000000000000 0.47208370887545 15.999 > 6 15 O 0.55771201301535 0.50000000000000 0.86347012756016 15.999 > 7 16 O 0.94228798698465 0.00000000000000 0.13652987243984 15.999 > 8 *17 Al 0.20204275358229 0.00000000000000 0.82436896264488 26.982 > 9 18 Al 0.29795724641771 0.50000000000000 0.17563103735512 26.982 > 10 19 Al 0.70204275358229 0.50000000000000 0.82436896264488 26.982 > 9 20 Al 0.79795724641771 0.00000000000000 0.17563103735512 26.982 > 10 *21 Nb 0.39498386095685 0.50000000000000 0.76402237845203 92.906 > 11 22 Nb 0.10501613904315 0.00000000000000 0.23597762154797 92.906 > 12 23 Nb 0.89498386095685 0.00000000000000 0.76402237845203 92.906 > 11 24 Nb 0.60501613904315 0.50000000000000 0.23597762154797 92.906 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.207923760177383 0.000000000000000 0.000000000000000 b 0.000000000000000 11.357588279999998 0.000000000000000 c -3.987928234063686 0.000000000000000 12.388973198148237 Atomic positions (fractional): *1 O 0.14401607957072 0.16666666666667 0.10167426597811 15.999 > 1 2 O 0.14401607957072 0.50000000000000 0.10167426597811 15.999 > 1 3 O 0.14401607957072 0.83333333333333 0.10167426597811 15.999 > 1 4 O 0.14401607957072 0.16666666666667 0.60167426597811 15.999 > 1 5 O 0.14401607957072 0.50000000000000 0.60167426597811 15.999 > 1 6 O 0.14401607957072 0.83333333333333 0.60167426597811 15.999 > 1 7 O 0.35598392042928 0.00000000000000 0.39832573402189 15.999 > 2 8 O 0.35598392042928 0.33333333333333 0.39832573402189 15.999 > 2 9 O 0.35598392042928 0.66666666666667 0.39832573402189 15.999 > 2 10 O 0.35598392042928 0.00000000000000 0.89832573402189 15.999 > 2 11 O 0.35598392042928 0.33333333333333 0.89832573402189 15.999 > 2 12 O 0.35598392042928 0.66666666666667 0.89832573402189 15.999 > 2 *13 O 0.26341982705153 0.00000000000000 0.07074461983206 15.999 > 3 14 O 0.26341982705153 0.33333333333333 0.07074461983206 15.999 > 3 15 O 0.26341982705153 0.66666666666667 0.07074461983206 15.999 > 3 16 O 0.26341982705153 0.00000000000000 0.57074461983206 15.999 > 3 17 O 0.26341982705153 0.33333333333333 0.57074461983206 15.999 > 3 18 O 0.26341982705153 0.66666666666667 0.57074461983206 15.999 > 3 19 O 0.23658017294847 0.16666666666667 0.42925538016794 15.999 > 4 20 O 0.23658017294847 0.50000000000000 0.42925538016794 15.999 > 4 21 O 0.23658017294847 0.83333333333333 0.42925538016794 15.999 > 4 22 O 0.23658017294847 0.16666666666667 0.92925538016794 15.999 > 4 23 O 0.23658017294847 0.50000000000000 0.92925538016794 15.999 > 4 24 O 0.23658017294847 0.83333333333333 0.92925538016794 15.999 > 4 *25 O 0.14053451913166 0.00000000000000 0.26395814556227 15.999 > 5 26 O 0.14053451913166 0.33333333333333 0.26395814556227 15.999 > 5 27 O 0.14053451913166 0.66666666666667 0.26395814556227 15.999 > 5 28 O 0.14053451913166 0.00000000000000 0.76395814556227 15.999 > 5 29 O 0.14053451913166 0.33333333333333 0.76395814556227 15.999 > 5 30 O 0.14053451913166 0.66666666666667 0.76395814556227 15.999 > 5 31 O 0.35946548086834 0.16666666666667 0.23604185443773 15.999 > 6 32 O 0.35946548086834 0.50000000000000 0.23604185443773 15.999 > 6 33 O 0.35946548086834 0.83333333333333 0.23604185443773 15.999 > 6 34 O 0.35946548086834 0.16666666666667 0.73604185443773 15.999 > 6 35 O 0.35946548086834 0.50000000000000 0.73604185443773 15.999 > 6 36 O 0.35946548086834 0.83333333333333 0.73604185443773 15.999 > 6 *37 O 0.05771201301535 0.00000000000000 0.43173506378008 15.999 > 7 38 O 0.05771201301535 0.33333333333333 0.43173506378008 15.999 > 7 39 O 0.05771201301535 0.66666666666667 0.43173506378008 15.999 > 7 40 O 0.05771201301535 0.00000000000000 0.93173506378008 15.999 > 7 41 O 0.05771201301535 0.33333333333333 0.93173506378008 15.999 > 7 42 O 0.05771201301535 0.66666666666667 0.93173506378008 15.999 > 7 43 O 0.44228798698465 0.16666666666667 0.06826493621992 15.999 > 8 44 O 0.44228798698465 0.50000000000000 0.06826493621992 15.999 > 8 45 O 0.44228798698465 0.83333333333333 0.06826493621992 15.999 > 8 46 O 0.44228798698465 0.16666666666667 0.56826493621992 15.999 > 8 47 O 0.44228798698465 0.50000000000000 0.56826493621992 15.999 > 8 48 O 0.44228798698465 0.83333333333333 0.56826493621992 15.999 > 8 49 O 0.64401607957072 0.00000000000000 0.10167426597811 15.999 > 1 50 O 0.64401607957072 0.33333333333333 0.10167426597811 15.999 > 1 51 O 0.64401607957072 0.66666666666667 0.10167426597811 15.999 > 1 52 O 0.64401607957072 0.00000000000000 0.60167426597811 15.999 > 1 53 O 0.64401607957072 0.33333333333333 0.60167426597811 15.999 > 1 54 O 0.64401607957072 0.66666666666667 0.60167426597811 15.999 > 1 55 O 0.85598392042928 0.16666666666667 0.39832573402189 15.999 > 2 56 O 0.85598392042928 0.50000000000000 0.39832573402189 15.999 > 2 57 O 0.85598392042928 0.83333333333333 0.39832573402189 15.999 > 2 58 O 0.85598392042928 0.16666666666667 0.89832573402189 15.999 > 2 59 O 0.85598392042928 0.50000000000000 0.89832573402189 15.999 > 2 60 O 0.85598392042928 0.83333333333333 0.89832573402189 15.999 > 2 61 O 0.76341982705153 0.16666666666667 0.07074461983206 15.999 > 3 62 O 0.76341982705153 0.50000000000000 0.07074461983206 15.999 > 3 63 O 0.76341982705153 0.83333333333333 0.07074461983206 15.999 > 3 64 O 0.76341982705153 0.16666666666667 0.57074461983206 15.999 > 3 65 O 0.76341982705153 0.50000000000000 0.57074461983206 15.999 > 3 66 O 0.76341982705153 0.83333333333333 0.57074461983206 15.999 > 3 67 O 0.73658017294847 0.00000000000000 0.42925538016794 15.999 > 4 68 O 0.73658017294847 0.33333333333333 0.42925538016794 15.999 > 4 69 O 0.73658017294847 0.66666666666667 0.42925538016794 15.999 > 4 70 O 0.73658017294847 0.00000000000000 0.92925538016794 15.999 > 4 71 O 0.73658017294847 0.33333333333333 0.92925538016794 15.999 > 4 72 O 0.73658017294847 0.66666666666667 0.92925538016794 15.999 > 4 73 O 0.64053451913166 0.16666666666667 0.26395814556227 15.999 > 5 74 O 0.64053451913166 0.50000000000000 0.26395814556227 15.999 > 5 75 O 0.64053451913166 0.83333333333333 0.26395814556227 15.999 > 5 76 O 0.64053451913166 0.16666666666667 0.76395814556227 15.999 > 5 77 O 0.64053451913166 0.50000000000000 0.76395814556227 15.999 > 5 78 O 0.64053451913166 0.83333333333333 0.76395814556227 15.999 > 5 79 O 0.85946548086834 0.00000000000000 0.23604185443773 15.999 > 6 80 O 0.85946548086834 0.33333333333333 0.23604185443773 15.999 > 6 81 O 0.85946548086834 0.66666666666667 0.23604185443773 15.999 > 6 82 O 0.85946548086834 0.00000000000000 0.73604185443773 15.999 > 6 83 O 0.85946548086834 0.33333333333333 0.73604185443773 15.999 > 6 84 O 0.85946548086834 0.66666666666667 0.73604185443773 15.999 > 6 85 O 0.55771201301535 0.16666666666667 0.43173506378008 15.999 > 7 86 O 0.55771201301535 0.50000000000000 0.43173506378008 15.999 > 7 87 O 0.55771201301535 0.83333333333333 0.43173506378008 15.999 > 7 88 O 0.55771201301535 0.16666666666667 0.93173506378008 15.999 > 7 89 O 0.55771201301535 0.50000000000000 0.93173506378008 15.999 > 7 90 O 0.55771201301535 0.83333333333333 0.93173506378008 15.999 > 7 91 O 0.94228798698465 0.00000000000000 0.06826493621992 15.999 > 8 92 O 0.94228798698465 0.33333333333333 0.06826493621992 15.999 > 8 93 O 0.94228798698465 0.66666666666667 0.06826493621992 15.999 > 8 94 O 0.94228798698465 0.00000000000000 0.56826493621992 15.999 > 8 95 O 0.94228798698465 0.33333333333333 0.56826493621992 15.999 > 8 96 O 0.94228798698465 0.66666666666667 0.56826493621992 15.999 > 8 *97 Al 0.20204275358229 0.00000000000000 0.41218448132244 26.982 > 9 98 Al 0.20204275358229 0.33333333333333 0.41218448132244 26.982 > 9 99 Al 0.20204275358229 0.66666666666667 0.41218448132244 26.982 > 9 100 Al 0.20204275358229 0.00000000000000 0.91218448132244 26.982 > 9 101 Al 0.20204275358229 0.33333333333333 0.91218448132244 26.982 > 9 102 Al 0.20204275358229 0.66666666666667 0.91218448132244 26.982 > 9 103 Al 0.29795724641771 0.16666666666667 0.08781551867756 26.982 > 10 104 Al 0.29795724641771 0.50000000000000 0.08781551867756 26.982 > 10 105 Al 0.29795724641771 0.83333333333333 0.08781551867756 26.982 > 10 106 Al 0.29795724641771 0.16666666666667 0.58781551867756 26.982 > 10 107 Al 0.29795724641771 0.50000000000000 0.58781551867756 26.982 > 10 108 Al 0.29795724641771 0.83333333333333 0.58781551867756 26.982 > 10 109 Al 0.70204275358229 0.16666666666667 0.41218448132244 26.982 > 9 110 Al 0.70204275358229 0.50000000000000 0.41218448132244 26.982 > 9 111 Al 0.70204275358229 0.83333333333333 0.41218448132244 26.982 > 9 112 Al 0.70204275358229 0.16666666666667 0.91218448132244 26.982 > 9 113 Al 0.70204275358229 0.50000000000000 0.91218448132244 26.982 > 9 114 Al 0.70204275358229 0.83333333333333 0.91218448132244 26.982 > 9 115 Al 0.79795724641771 0.00000000000000 0.08781551867756 26.982 > 10 116 Al 0.79795724641771 0.33333333333333 0.08781551867756 26.982 > 10 117 Al 0.79795724641771 0.66666666666667 0.08781551867756 26.982 > 10 118 Al 0.79795724641771 0.00000000000000 0.58781551867756 26.982 > 10 119 Al 0.79795724641771 0.33333333333333 0.58781551867756 26.982 > 10 120 Al 0.79795724641771 0.66666666666667 0.58781551867756 26.982 > 10 *121 Nb 0.39498386095685 0.16666666666667 0.38201118922601 92.906 > 11 122 Nb 0.39498386095685 0.50000000000000 0.38201118922601 92.906 > 11 123 Nb 0.39498386095685 0.83333333333333 0.38201118922601 92.906 > 11 124 Nb 0.39498386095685 0.16666666666667 0.88201118922601 92.906 > 11 125 Nb 0.39498386095685 0.50000000000000 0.88201118922601 92.906 > 11 126 Nb 0.39498386095685 0.83333333333333 0.88201118922601 92.906 > 11 127 Nb 0.10501613904315 0.00000000000000 0.11798881077399 92.906 > 12 128 Nb 0.10501613904315 0.33333333333333 0.11798881077399 92.906 > 12 129 Nb 0.10501613904315 0.66666666666667 0.11798881077399 92.906 > 12 130 Nb 0.10501613904315 0.00000000000000 0.61798881077399 92.906 > 12 131 Nb 0.10501613904315 0.33333333333333 0.61798881077399 92.906 > 12 132 Nb 0.10501613904315 0.66666666666667 0.61798881077399 92.906 > 12 133 Nb 0.89498386095685 0.00000000000000 0.38201118922601 92.906 > 11 134 Nb 0.89498386095685 0.33333333333333 0.38201118922601 92.906 > 11 135 Nb 0.89498386095685 0.66666666666667 0.38201118922601 92.906 > 11 136 Nb 0.89498386095685 0.00000000000000 0.88201118922601 92.906 > 11 137 Nb 0.89498386095685 0.33333333333333 0.88201118922601 92.906 > 11 138 Nb 0.89498386095685 0.66666666666667 0.88201118922601 92.906 > 11 139 Nb 0.60501613904315 0.16666666666667 0.11798881077399 92.906 > 12 140 Nb 0.60501613904315 0.50000000000000 0.11798881077399 92.906 > 12 141 Nb 0.60501613904315 0.83333333333333 0.11798881077399 92.906 > 12 142 Nb 0.60501613904315 0.16666666666667 0.61798881077399 92.906 > 12 143 Nb 0.60501613904315 0.50000000000000 0.61798881077399 92.906 > 12 144 Nb 0.60501613904315 0.83333333333333 0.61798881077399 92.906 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0754761 0.0000000 0.1846762 0.0000000 4.5595941 0.0000000 0.1846730 0.0000000 4.2203153 -------------------------- Born effective charges -------------------------- 1 O -1.5276949 0.0000000 0.0826736 0.0000000 -5.2897240 0.0000000 -0.0650055 0.0000000 -0.9945235 2 O -1.5276949 0.0000000 0.0826736 0.0000000 -5.2897240 0.0000000 -0.0650055 0.0000000 -0.9945235 3 O -2.5072861 0.0000000 0.4757546 0.0000000 -2.3231890 0.0000000 0.1525190 0.0000000 -1.9359882 4 O -2.5072861 0.0000000 0.4757546 0.0000000 -2.3231890 0.0000000 0.1525190 0.0000000 -1.9359882 5 O -0.9587938 0.0000000 -0.1860348 0.0000000 -1.0603161 0.0000000 0.0046504 0.0000000 -3.8453422 6 O -0.9587938 0.0000000 -0.1860348 0.0000000 -1.0603161 0.0000000 0.0046504 0.0000000 -3.8453422 7 O -3.3556929 0.0000000 -0.8455237 0.0000000 -1.0232547 0.0000000 -0.6677889 0.0000000 -2.2010488 8 O -3.3556929 0.0000000 -0.8455237 0.0000000 -1.0232547 0.0000000 -0.6677889 0.0000000 -2.2010488 9 Al 3.8003478 0.0000000 -0.4497609 0.0000000 2.8806217 0.0000000 0.0920333 0.0000000 3.8381803 10 Al 3.8003478 0.0000000 -0.4497609 0.0000000 2.8806217 0.0000000 0.0920333 0.0000000 3.8381803 11 Nb 4.5491199 0.0000000 0.9228911 0.0000000 6.8158621 0.0000000 0.4835917 0.0000000 5.1387223 12 Nb 4.5491199 0.0000000 0.9228911 0.0000000 6.8158621 0.0000000 0.4835917 0.0000000 5.1387223 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2160 Number of blocks in projector: 2160 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2160, 2131), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 0.796 Solver_block: 200 / 400 - Time: 0.757 Solver_block: 300 / 400 - Time: 0.766 Solver_block: 400 / 400 - Time: 0.761 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.164 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2160 Number of blocks in projector: 2160 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2160, 2131), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:39:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:39:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.103961880088692 -1.892931380000000 0.000000000000000 b 6.103961880088692 1.892931380000000 0.000000000000000 c -1.993964117031843 0.000000000000000 6.194486599074119 Atomic positions (fractional): 1 O 0.64401607957072 0.64401607957072 0.20334853195621 15.999 2 O 0.35598392042928 0.35598392042928 0.79665146804379 15.999 3 O 0.26341982705153 0.26341982705153 0.14148923966413 15.999 4 O 0.73658017294847 0.73658017294847 0.85851076033587 15.999 5 O 0.14053451913166 0.14053451913166 0.52791629112455 15.999 6 O 0.85946548086834 0.85946548086834 0.47208370887545 15.999 7 O 0.05771201301535 0.05771201301535 0.86347012756016 15.999 8 O 0.94228798698465 0.94228798698465 0.13652987243984 15.999 9 Al 0.20204275358229 0.20204275358229 0.82436896264488 26.982 10 Al 0.79795724641771 0.79795724641771 0.17563103735512 26.982 11 Nb 0.89498386095685 0.89498386095685 0.76402237845203 92.906 12 Nb 0.10501613904315 0.10501613904315 0.23597762154797 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.207923760177383 0.000000000000000 0.000000000000000 b 0.000000000000000 11.357588279999998 0.000000000000000 c -3.987928234063686 0.000000000000000 12.388973198148237 Atomic positions (fractional): 1 O 0.14401607957072 0.16666666666667 0.10167426597811 15.999 > 1 2 O 0.14401607957072 0.50000000000000 0.10167426597811 15.999 > 1 3 O 0.14401607957072 0.83333333333333 0.10167426597811 15.999 > 1 4 O 0.14401607957072 0.16666666666667 0.60167426597811 15.999 > 1 5 O 0.14401607957072 0.50000000000000 0.60167426597811 15.999 > 1 6 O 0.14401607957072 0.83333333333333 0.60167426597811 15.999 > 1 7 O 0.35598392042928 0.00000000000000 0.39832573402189 15.999 > 7 8 O 0.35598392042928 0.33333333333333 0.39832573402189 15.999 > 7 9 O 0.35598392042928 0.66666666666667 0.39832573402189 15.999 > 7 10 O 0.35598392042928 0.00000000000000 0.89832573402189 15.999 > 7 11 O 0.35598392042928 0.33333333333333 0.89832573402189 15.999 > 7 12 O 0.35598392042928 0.66666666666667 0.89832573402189 15.999 > 7 13 O 0.26341982705153 0.00000000000000 0.07074461983206 15.999 > 13 14 O 0.26341982705153 0.33333333333333 0.07074461983206 15.999 > 13 15 O 0.26341982705153 0.66666666666667 0.07074461983206 15.999 > 13 16 O 0.26341982705153 0.00000000000000 0.57074461983206 15.999 > 13 17 O 0.26341982705153 0.33333333333333 0.57074461983206 15.999 > 13 18 O 0.26341982705153 0.66666666666667 0.57074461983206 15.999 > 13 19 O 0.23658017294847 0.16666666666667 0.42925538016794 15.999 > 19 20 O 0.23658017294847 0.50000000000000 0.42925538016794 15.999 > 19 21 O 0.23658017294847 0.83333333333333 0.42925538016794 15.999 > 19 22 O 0.23658017294847 0.16666666666667 0.92925538016794 15.999 > 19 23 O 0.23658017294847 0.50000000000000 0.92925538016794 15.999 > 19 24 O 0.23658017294847 0.83333333333333 0.92925538016794 15.999 > 19 25 O 0.14053451913166 0.00000000000000 0.26395814556227 15.999 > 25 26 O 0.14053451913166 0.33333333333333 0.26395814556227 15.999 > 25 27 O 0.14053451913166 0.66666666666667 0.26395814556227 15.999 > 25 28 O 0.14053451913166 0.00000000000000 0.76395814556227 15.999 > 25 29 O 0.14053451913166 0.33333333333333 0.76395814556227 15.999 > 25 30 O 0.14053451913166 0.66666666666667 0.76395814556227 15.999 > 25 31 O 0.35946548086834 0.16666666666667 0.23604185443773 15.999 > 31 32 O 0.35946548086834 0.50000000000000 0.23604185443773 15.999 > 31 33 O 0.35946548086834 0.83333333333333 0.23604185443773 15.999 > 31 34 O 0.35946548086834 0.16666666666667 0.73604185443773 15.999 > 31 35 O 0.35946548086834 0.50000000000000 0.73604185443773 15.999 > 31 36 O 0.35946548086834 0.83333333333333 0.73604185443773 15.999 > 31 37 O 0.05771201301535 0.00000000000000 0.43173506378008 15.999 > 37 38 O 0.05771201301535 0.33333333333333 0.43173506378008 15.999 > 37 39 O 0.05771201301535 0.66666666666667 0.43173506378008 15.999 > 37 40 O 0.05771201301535 0.00000000000000 0.93173506378008 15.999 > 37 41 O 0.05771201301535 0.33333333333333 0.93173506378008 15.999 > 37 42 O 0.05771201301535 0.66666666666667 0.93173506378008 15.999 > 37 43 O 0.44228798698465 0.16666666666667 0.06826493621992 15.999 > 43 44 O 0.44228798698465 0.50000000000000 0.06826493621992 15.999 > 43 45 O 0.44228798698465 0.83333333333333 0.06826493621992 15.999 > 43 46 O 0.44228798698465 0.16666666666667 0.56826493621992 15.999 > 43 47 O 0.44228798698465 0.50000000000000 0.56826493621992 15.999 > 43 48 O 0.44228798698465 0.83333333333333 0.56826493621992 15.999 > 43 49 O 0.64401607957072 0.00000000000000 0.10167426597811 15.999 > 1 50 O 0.64401607957072 0.33333333333333 0.10167426597811 15.999 > 1 51 O 0.64401607957072 0.66666666666667 0.10167426597811 15.999 > 1 52 O 0.64401607957072 0.00000000000000 0.60167426597811 15.999 > 1 53 O 0.64401607957072 0.33333333333333 0.60167426597811 15.999 > 1 54 O 0.64401607957072 0.66666666666667 0.60167426597811 15.999 > 1 55 O 0.85598392042928 0.16666666666667 0.39832573402189 15.999 > 7 56 O 0.85598392042928 0.50000000000000 0.39832573402189 15.999 > 7 57 O 0.85598392042928 0.83333333333333 0.39832573402189 15.999 > 7 58 O 0.85598392042928 0.16666666666667 0.89832573402189 15.999 > 7 59 O 0.85598392042928 0.50000000000000 0.89832573402189 15.999 > 7 60 O 0.85598392042928 0.83333333333333 0.89832573402189 15.999 > 7 61 O 0.76341982705153 0.16666666666667 0.07074461983206 15.999 > 13 62 O 0.76341982705153 0.50000000000000 0.07074461983206 15.999 > 13 63 O 0.76341982705153 0.83333333333333 0.07074461983206 15.999 > 13 64 O 0.76341982705153 0.16666666666667 0.57074461983206 15.999 > 13 65 O 0.76341982705153 0.50000000000000 0.57074461983206 15.999 > 13 66 O 0.76341982705153 0.83333333333333 0.57074461983206 15.999 > 13 67 O 0.73658017294847 0.00000000000000 0.42925538016794 15.999 > 19 68 O 0.73658017294847 0.33333333333333 0.42925538016794 15.999 > 19 69 O 0.73658017294847 0.66666666666667 0.42925538016794 15.999 > 19 70 O 0.73658017294847 0.00000000000000 0.92925538016794 15.999 > 19 71 O 0.73658017294847 0.33333333333333 0.92925538016794 15.999 > 19 72 O 0.73658017294847 0.66666666666667 0.92925538016794 15.999 > 19 73 O 0.64053451913166 0.16666666666667 0.26395814556227 15.999 > 25 74 O 0.64053451913166 0.50000000000000 0.26395814556227 15.999 > 25 75 O 0.64053451913166 0.83333333333333 0.26395814556227 15.999 > 25 76 O 0.64053451913166 0.16666666666667 0.76395814556227 15.999 > 25 77 O 0.64053451913166 0.50000000000000 0.76395814556227 15.999 > 25 78 O 0.64053451913166 0.83333333333333 0.76395814556227 15.999 > 25 79 O 0.85946548086834 0.00000000000000 0.23604185443773 15.999 > 31 80 O 0.85946548086834 0.33333333333333 0.23604185443773 15.999 > 31 81 O 0.85946548086834 0.66666666666667 0.23604185443773 15.999 > 31 82 O 0.85946548086834 0.00000000000000 0.73604185443773 15.999 > 31 83 O 0.85946548086834 0.33333333333333 0.73604185443773 15.999 > 31 84 O 0.85946548086834 0.66666666666667 0.73604185443773 15.999 > 31 85 O 0.55771201301535 0.16666666666667 0.43173506378008 15.999 > 37 86 O 0.55771201301535 0.50000000000000 0.43173506378008 15.999 > 37 87 O 0.55771201301535 0.83333333333333 0.43173506378008 15.999 > 37 88 O 0.55771201301535 0.16666666666667 0.93173506378008 15.999 > 37 89 O 0.55771201301535 0.50000000000000 0.93173506378008 15.999 > 37 90 O 0.55771201301535 0.83333333333333 0.93173506378008 15.999 > 37 91 O 0.94228798698465 0.00000000000000 0.06826493621992 15.999 > 43 92 O 0.94228798698465 0.33333333333333 0.06826493621992 15.999 > 43 93 O 0.94228798698465 0.66666666666667 0.06826493621992 15.999 > 43 94 O 0.94228798698465 0.00000000000000 0.56826493621992 15.999 > 43 95 O 0.94228798698465 0.33333333333333 0.56826493621992 15.999 > 43 96 O 0.94228798698465 0.66666666666667 0.56826493621992 15.999 > 43 97 Al 0.20204275358229 0.00000000000000 0.41218448132244 26.982 > 97 98 Al 0.20204275358229 0.33333333333333 0.41218448132244 26.982 > 97 99 Al 0.20204275358229 0.66666666666667 0.41218448132244 26.982 > 97 100 Al 0.20204275358229 0.00000000000000 0.91218448132244 26.982 > 97 101 Al 0.20204275358229 0.33333333333333 0.91218448132244 26.982 > 97 102 Al 0.20204275358229 0.66666666666667 0.91218448132244 26.982 > 97 103 Al 0.29795724641771 0.16666666666667 0.08781551867756 26.982 > 103 104 Al 0.29795724641771 0.50000000000000 0.08781551867756 26.982 > 103 105 Al 0.29795724641771 0.83333333333333 0.08781551867756 26.982 > 103 106 Al 0.29795724641771 0.16666666666667 0.58781551867756 26.982 > 103 107 Al 0.29795724641771 0.50000000000000 0.58781551867756 26.982 > 103 108 Al 0.29795724641771 0.83333333333333 0.58781551867756 26.982 > 103 109 Al 0.70204275358229 0.16666666666667 0.41218448132244 26.982 > 97 110 Al 0.70204275358229 0.50000000000000 0.41218448132244 26.982 > 97 111 Al 0.70204275358229 0.83333333333333 0.41218448132244 26.982 > 97 112 Al 0.70204275358229 0.16666666666667 0.91218448132244 26.982 > 97 113 Al 0.70204275358229 0.50000000000000 0.91218448132244 26.982 > 97 114 Al 0.70204275358229 0.83333333333333 0.91218448132244 26.982 > 97 115 Al 0.79795724641771 0.00000000000000 0.08781551867756 26.982 > 103 116 Al 0.79795724641771 0.33333333333333 0.08781551867756 26.982 > 103 117 Al 0.79795724641771 0.66666666666667 0.08781551867756 26.982 > 103 118 Al 0.79795724641771 0.00000000000000 0.58781551867756 26.982 > 103 119 Al 0.79795724641771 0.33333333333333 0.58781551867756 26.982 > 103 120 Al 0.79795724641771 0.66666666666667 0.58781551867756 26.982 > 103 121 Nb 0.39498386095685 0.16666666666667 0.38201118922601 92.906 > 121 122 Nb 0.39498386095685 0.50000000000000 0.38201118922601 92.906 > 121 123 Nb 0.39498386095685 0.83333333333333 0.38201118922601 92.906 > 121 124 Nb 0.39498386095685 0.16666666666667 0.88201118922601 92.906 > 121 125 Nb 0.39498386095685 0.50000000000000 0.88201118922601 92.906 > 121 126 Nb 0.39498386095685 0.83333333333333 0.88201118922601 92.906 > 121 127 Nb 0.10501613904315 0.00000000000000 0.11798881077399 92.906 > 127 128 Nb 0.10501613904315 0.33333333333333 0.11798881077399 92.906 > 127 129 Nb 0.10501613904315 0.66666666666667 0.11798881077399 92.906 > 127 130 Nb 0.10501613904315 0.00000000000000 0.61798881077399 92.906 > 127 131 Nb 0.10501613904315 0.33333333333333 0.61798881077399 92.906 > 127 132 Nb 0.10501613904315 0.66666666666667 0.61798881077399 92.906 > 127 133 Nb 0.89498386095685 0.00000000000000 0.38201118922601 92.906 > 121 134 Nb 0.89498386095685 0.33333333333333 0.38201118922601 92.906 > 121 135 Nb 0.89498386095685 0.66666666666667 0.38201118922601 92.906 > 121 136 Nb 0.89498386095685 0.00000000000000 0.88201118922601 92.906 > 121 137 Nb 0.89498386095685 0.33333333333333 0.88201118922601 92.906 > 121 138 Nb 0.89498386095685 0.66666666666667 0.88201118922601 92.906 > 121 139 Nb 0.60501613904315 0.16666666666667 0.11798881077399 92.906 > 127 140 Nb 0.60501613904315 0.50000000000000 0.11798881077399 92.906 > 127 141 Nb 0.60501613904315 0.83333333333333 0.11798881077399 92.906 > 127 142 Nb 0.60501613904315 0.16666666666667 0.61798881077399 92.906 > 127 143 Nb 0.60501613904315 0.50000000000000 0.61798881077399 92.906 > 127 144 Nb 0.60501613904315 0.83333333333333 0.61798881077399 92.906 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0754761 0.0000000 0.1846762 0.0000000 4.5595941 0.0000000 0.1846730 0.0000000 4.2203153 -------------------------- Born effective charges -------------------------- 1 O -1.5276949 0.0000000 0.0826736 0.0000000 -5.2897240 0.0000000 -0.0650055 0.0000000 -0.9945235 2 O -1.5276949 0.0000000 0.0826736 0.0000000 -5.2897240 0.0000000 -0.0650055 0.0000000 -0.9945235 3 O -2.5072861 0.0000000 0.4757546 0.0000000 -2.3231890 0.0000000 0.1525190 0.0000000 -1.9359882 4 O -2.5072861 0.0000000 0.4757546 0.0000000 -2.3231890 0.0000000 0.1525190 0.0000000 -1.9359882 5 O -0.9587938 0.0000000 -0.1860348 0.0000000 -1.0603161 0.0000000 0.0046504 0.0000000 -3.8453422 6 O -0.9587938 0.0000000 -0.1860348 0.0000000 -1.0603161 0.0000000 0.0046504 0.0000000 -3.8453422 7 O -3.3556929 0.0000000 -0.8455237 0.0000000 -1.0232547 0.0000000 -0.6677889 0.0000000 -2.2010488 8 O -3.3556929 0.0000000 -0.8455237 0.0000000 -1.0232547 0.0000000 -0.6677889 0.0000000 -2.2010488 9 Al 3.8003478 0.0000000 -0.4497609 0.0000000 2.8806217 0.0000000 0.0920333 0.0000000 3.8381803 10 Al 3.8003478 0.0000000 -0.4497609 0.0000000 2.8806217 0.0000000 0.0920333 0.0000000 3.8381803 11 Nb 4.5491199 0.0000000 0.9228911 0.0000000 6.8158621 0.0000000 0.4835917 0.0000000 5.1387223 12 Nb 4.5491199 0.0000000 0.9228911 0.0000000 6.8158621 0.0000000 0.4835917 0.0000000 5.1387223 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 13, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 37, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:39:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:39:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.103961880088692 -1.892931380000000 0.000000000000000 b 6.103961880088692 1.892931380000000 0.000000000000000 c -1.993964117031843 0.000000000000000 6.194486599074119 Atomic positions (fractional): 1 O 0.64401607957072 0.64401607957072 0.20334853195621 15.999 2 O 0.35598392042928 0.35598392042928 0.79665146804379 15.999 3 O 0.26341982705153 0.26341982705153 0.14148923966413 15.999 4 O 0.73658017294847 0.73658017294847 0.85851076033587 15.999 5 O 0.14053451913166 0.14053451913166 0.52791629112455 15.999 6 O 0.85946548086834 0.85946548086834 0.47208370887545 15.999 7 O 0.05771201301535 0.05771201301535 0.86347012756016 15.999 8 O 0.94228798698465 0.94228798698465 0.13652987243984 15.999 9 Al 0.20204275358229 0.20204275358229 0.82436896264488 26.982 10 Al 0.79795724641771 0.79795724641771 0.17563103735512 26.982 11 Nb 0.89498386095685 0.89498386095685 0.76402237845203 92.906 12 Nb 0.10501613904315 0.10501613904315 0.23597762154797 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.207923760177383 0.000000000000000 0.000000000000000 b 0.000000000000000 11.357588279999998 0.000000000000000 c -3.987928234063686 0.000000000000000 12.388973198148237 Atomic positions (fractional): 1 O 0.14401607957072 0.16666666666667 0.10167426597811 15.999 > 1 2 O 0.14401607957072 0.50000000000000 0.10167426597811 15.999 > 1 3 O 0.14401607957072 0.83333333333333 0.10167426597811 15.999 > 1 4 O 0.14401607957072 0.16666666666667 0.60167426597811 15.999 > 1 5 O 0.14401607957072 0.50000000000000 0.60167426597811 15.999 > 1 6 O 0.14401607957072 0.83333333333333 0.60167426597811 15.999 > 1 7 O 0.35598392042928 0.00000000000000 0.39832573402189 15.999 > 7 8 O 0.35598392042928 0.33333333333333 0.39832573402189 15.999 > 7 9 O 0.35598392042928 0.66666666666667 0.39832573402189 15.999 > 7 10 O 0.35598392042928 0.00000000000000 0.89832573402189 15.999 > 7 11 O 0.35598392042928 0.33333333333333 0.89832573402189 15.999 > 7 12 O 0.35598392042928 0.66666666666667 0.89832573402189 15.999 > 7 13 O 0.26341982705153 0.00000000000000 0.07074461983206 15.999 > 13 14 O 0.26341982705153 0.33333333333333 0.07074461983206 15.999 > 13 15 O 0.26341982705153 0.66666666666667 0.07074461983206 15.999 > 13 16 O 0.26341982705153 0.00000000000000 0.57074461983206 15.999 > 13 17 O 0.26341982705153 0.33333333333333 0.57074461983206 15.999 > 13 18 O 0.26341982705153 0.66666666666667 0.57074461983206 15.999 > 13 19 O 0.23658017294847 0.16666666666667 0.42925538016794 15.999 > 19 20 O 0.23658017294847 0.50000000000000 0.42925538016794 15.999 > 19 21 O 0.23658017294847 0.83333333333333 0.42925538016794 15.999 > 19 22 O 0.23658017294847 0.16666666666667 0.92925538016794 15.999 > 19 23 O 0.23658017294847 0.50000000000000 0.92925538016794 15.999 > 19 24 O 0.23658017294847 0.83333333333333 0.92925538016794 15.999 > 19 25 O 0.14053451913166 0.00000000000000 0.26395814556227 15.999 > 25 26 O 0.14053451913166 0.33333333333333 0.26395814556227 15.999 > 25 27 O 0.14053451913166 0.66666666666667 0.26395814556227 15.999 > 25 28 O 0.14053451913166 0.00000000000000 0.76395814556227 15.999 > 25 29 O 0.14053451913166 0.33333333333333 0.76395814556227 15.999 > 25 30 O 0.14053451913166 0.66666666666667 0.76395814556227 15.999 > 25 31 O 0.35946548086834 0.16666666666667 0.23604185443773 15.999 > 31 32 O 0.35946548086834 0.50000000000000 0.23604185443773 15.999 > 31 33 O 0.35946548086834 0.83333333333333 0.23604185443773 15.999 > 31 34 O 0.35946548086834 0.16666666666667 0.73604185443773 15.999 > 31 35 O 0.35946548086834 0.50000000000000 0.73604185443773 15.999 > 31 36 O 0.35946548086834 0.83333333333333 0.73604185443773 15.999 > 31 37 O 0.05771201301535 0.00000000000000 0.43173506378008 15.999 > 37 38 O 0.05771201301535 0.33333333333333 0.43173506378008 15.999 > 37 39 O 0.05771201301535 0.66666666666667 0.43173506378008 15.999 > 37 40 O 0.05771201301535 0.00000000000000 0.93173506378008 15.999 > 37 41 O 0.05771201301535 0.33333333333333 0.93173506378008 15.999 > 37 42 O 0.05771201301535 0.66666666666667 0.93173506378008 15.999 > 37 43 O 0.44228798698465 0.16666666666667 0.06826493621992 15.999 > 43 44 O 0.44228798698465 0.50000000000000 0.06826493621992 15.999 > 43 45 O 0.44228798698465 0.83333333333333 0.06826493621992 15.999 > 43 46 O 0.44228798698465 0.16666666666667 0.56826493621992 15.999 > 43 47 O 0.44228798698465 0.50000000000000 0.56826493621992 15.999 > 43 48 O 0.44228798698465 0.83333333333333 0.56826493621992 15.999 > 43 49 O 0.64401607957072 0.00000000000000 0.10167426597811 15.999 > 1 50 O 0.64401607957072 0.33333333333333 0.10167426597811 15.999 > 1 51 O 0.64401607957072 0.66666666666667 0.10167426597811 15.999 > 1 52 O 0.64401607957072 0.00000000000000 0.60167426597811 15.999 > 1 53 O 0.64401607957072 0.33333333333333 0.60167426597811 15.999 > 1 54 O 0.64401607957072 0.66666666666667 0.60167426597811 15.999 > 1 55 O 0.85598392042928 0.16666666666667 0.39832573402189 15.999 > 7 56 O 0.85598392042928 0.50000000000000 0.39832573402189 15.999 > 7 57 O 0.85598392042928 0.83333333333333 0.39832573402189 15.999 > 7 58 O 0.85598392042928 0.16666666666667 0.89832573402189 15.999 > 7 59 O 0.85598392042928 0.50000000000000 0.89832573402189 15.999 > 7 60 O 0.85598392042928 0.83333333333333 0.89832573402189 15.999 > 7 61 O 0.76341982705153 0.16666666666667 0.07074461983206 15.999 > 13 62 O 0.76341982705153 0.50000000000000 0.07074461983206 15.999 > 13 63 O 0.76341982705153 0.83333333333333 0.07074461983206 15.999 > 13 64 O 0.76341982705153 0.16666666666667 0.57074461983206 15.999 > 13 65 O 0.76341982705153 0.50000000000000 0.57074461983206 15.999 > 13 66 O 0.76341982705153 0.83333333333333 0.57074461983206 15.999 > 13 67 O 0.73658017294847 0.00000000000000 0.42925538016794 15.999 > 19 68 O 0.73658017294847 0.33333333333333 0.42925538016794 15.999 > 19 69 O 0.73658017294847 0.66666666666667 0.42925538016794 15.999 > 19 70 O 0.73658017294847 0.00000000000000 0.92925538016794 15.999 > 19 71 O 0.73658017294847 0.33333333333333 0.92925538016794 15.999 > 19 72 O 0.73658017294847 0.66666666666667 0.92925538016794 15.999 > 19 73 O 0.64053451913166 0.16666666666667 0.26395814556227 15.999 > 25 74 O 0.64053451913166 0.50000000000000 0.26395814556227 15.999 > 25 75 O 0.64053451913166 0.83333333333333 0.26395814556227 15.999 > 25 76 O 0.64053451913166 0.16666666666667 0.76395814556227 15.999 > 25 77 O 0.64053451913166 0.50000000000000 0.76395814556227 15.999 > 25 78 O 0.64053451913166 0.83333333333333 0.76395814556227 15.999 > 25 79 O 0.85946548086834 0.00000000000000 0.23604185443773 15.999 > 31 80 O 0.85946548086834 0.33333333333333 0.23604185443773 15.999 > 31 81 O 0.85946548086834 0.66666666666667 0.23604185443773 15.999 > 31 82 O 0.85946548086834 0.00000000000000 0.73604185443773 15.999 > 31 83 O 0.85946548086834 0.33333333333333 0.73604185443773 15.999 > 31 84 O 0.85946548086834 0.66666666666667 0.73604185443773 15.999 > 31 85 O 0.55771201301535 0.16666666666667 0.43173506378008 15.999 > 37 86 O 0.55771201301535 0.50000000000000 0.43173506378008 15.999 > 37 87 O 0.55771201301535 0.83333333333333 0.43173506378008 15.999 > 37 88 O 0.55771201301535 0.16666666666667 0.93173506378008 15.999 > 37 89 O 0.55771201301535 0.50000000000000 0.93173506378008 15.999 > 37 90 O 0.55771201301535 0.83333333333333 0.93173506378008 15.999 > 37 91 O 0.94228798698465 0.00000000000000 0.06826493621992 15.999 > 43 92 O 0.94228798698465 0.33333333333333 0.06826493621992 15.999 > 43 93 O 0.94228798698465 0.66666666666667 0.06826493621992 15.999 > 43 94 O 0.94228798698465 0.00000000000000 0.56826493621992 15.999 > 43 95 O 0.94228798698465 0.33333333333333 0.56826493621992 15.999 > 43 96 O 0.94228798698465 0.66666666666667 0.56826493621992 15.999 > 43 97 Al 0.20204275358229 0.00000000000000 0.41218448132244 26.982 > 97 98 Al 0.20204275358229 0.33333333333333 0.41218448132244 26.982 > 97 99 Al 0.20204275358229 0.66666666666667 0.41218448132244 26.982 > 97 100 Al 0.20204275358229 0.00000000000000 0.91218448132244 26.982 > 97 101 Al 0.20204275358229 0.33333333333333 0.91218448132244 26.982 > 97 102 Al 0.20204275358229 0.66666666666667 0.91218448132244 26.982 > 97 103 Al 0.29795724641771 0.16666666666667 0.08781551867756 26.982 > 103 104 Al 0.29795724641771 0.50000000000000 0.08781551867756 26.982 > 103 105 Al 0.29795724641771 0.83333333333333 0.08781551867756 26.982 > 103 106 Al 0.29795724641771 0.16666666666667 0.58781551867756 26.982 > 103 107 Al 0.29795724641771 0.50000000000000 0.58781551867756 26.982 > 103 108 Al 0.29795724641771 0.83333333333333 0.58781551867756 26.982 > 103 109 Al 0.70204275358229 0.16666666666667 0.41218448132244 26.982 > 97 110 Al 0.70204275358229 0.50000000000000 0.41218448132244 26.982 > 97 111 Al 0.70204275358229 0.83333333333333 0.41218448132244 26.982 > 97 112 Al 0.70204275358229 0.16666666666667 0.91218448132244 26.982 > 97 113 Al 0.70204275358229 0.50000000000000 0.91218448132244 26.982 > 97 114 Al 0.70204275358229 0.83333333333333 0.91218448132244 26.982 > 97 115 Al 0.79795724641771 0.00000000000000 0.08781551867756 26.982 > 103 116 Al 0.79795724641771 0.33333333333333 0.08781551867756 26.982 > 103 117 Al 0.79795724641771 0.66666666666667 0.08781551867756 26.982 > 103 118 Al 0.79795724641771 0.00000000000000 0.58781551867756 26.982 > 103 119 Al 0.79795724641771 0.33333333333333 0.58781551867756 26.982 > 103 120 Al 0.79795724641771 0.66666666666667 0.58781551867756 26.982 > 103 121 Nb 0.39498386095685 0.16666666666667 0.38201118922601 92.906 > 121 122 Nb 0.39498386095685 0.50000000000000 0.38201118922601 92.906 > 121 123 Nb 0.39498386095685 0.83333333333333 0.38201118922601 92.906 > 121 124 Nb 0.39498386095685 0.16666666666667 0.88201118922601 92.906 > 121 125 Nb 0.39498386095685 0.50000000000000 0.88201118922601 92.906 > 121 126 Nb 0.39498386095685 0.83333333333333 0.88201118922601 92.906 > 121 127 Nb 0.10501613904315 0.00000000000000 0.11798881077399 92.906 > 127 128 Nb 0.10501613904315 0.33333333333333 0.11798881077399 92.906 > 127 129 Nb 0.10501613904315 0.66666666666667 0.11798881077399 92.906 > 127 130 Nb 0.10501613904315 0.00000000000000 0.61798881077399 92.906 > 127 131 Nb 0.10501613904315 0.33333333333333 0.61798881077399 92.906 > 127 132 Nb 0.10501613904315 0.66666666666667 0.61798881077399 92.906 > 127 133 Nb 0.89498386095685 0.00000000000000 0.38201118922601 92.906 > 121 134 Nb 0.89498386095685 0.33333333333333 0.38201118922601 92.906 > 121 135 Nb 0.89498386095685 0.66666666666667 0.38201118922601 92.906 > 121 136 Nb 0.89498386095685 0.00000000000000 0.88201118922601 92.906 > 121 137 Nb 0.89498386095685 0.33333333333333 0.88201118922601 92.906 > 121 138 Nb 0.89498386095685 0.66666666666667 0.88201118922601 92.906 > 121 139 Nb 0.60501613904315 0.16666666666667 0.11798881077399 92.906 > 127 140 Nb 0.60501613904315 0.50000000000000 0.11798881077399 92.906 > 127 141 Nb 0.60501613904315 0.83333333333333 0.11798881077399 92.906 > 127 142 Nb 0.60501613904315 0.16666666666667 0.61798881077399 92.906 > 127 143 Nb 0.60501613904315 0.50000000000000 0.61798881077399 92.906 > 127 144 Nb 0.60501613904315 0.83333333333333 0.61798881077399 92.906 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0754761 0.0000000 0.1846762 0.0000000 4.5595941 0.0000000 0.1846730 0.0000000 4.2203153 -------------------------- Born effective charges -------------------------- 1 O -1.5276949 0.0000000 0.0826736 0.0000000 -5.2897240 0.0000000 -0.0650055 0.0000000 -0.9945235 2 O -1.5276949 0.0000000 0.0826736 0.0000000 -5.2897240 0.0000000 -0.0650055 0.0000000 -0.9945235 3 O -2.5072861 0.0000000 0.4757546 0.0000000 -2.3231890 0.0000000 0.1525190 0.0000000 -1.9359882 4 O -2.5072861 0.0000000 0.4757546 0.0000000 -2.3231890 0.0000000 0.1525190 0.0000000 -1.9359882 5 O -0.9587938 0.0000000 -0.1860348 0.0000000 -1.0603161 0.0000000 0.0046504 0.0000000 -3.8453422 6 O -0.9587938 0.0000000 -0.1860348 0.0000000 -1.0603161 0.0000000 0.0046504 0.0000000 -3.8453422 7 O -3.3556929 0.0000000 -0.8455237 0.0000000 -1.0232547 0.0000000 -0.6677889 0.0000000 -2.2010488 8 O -3.3556929 0.0000000 -0.8455237 0.0000000 -1.0232547 0.0000000 -0.6677889 0.0000000 -2.2010488 9 Al 3.8003478 0.0000000 -0.4497609 0.0000000 2.8806217 0.0000000 0.0920333 0.0000000 3.8381803 10 Al 3.8003478 0.0000000 -0.4497609 0.0000000 2.8806217 0.0000000 0.0920333 0.0000000 3.8381803 11 Nb 4.5491199 0.0000000 0.9228911 0.0000000 6.8158621 0.0000000 0.4835917 0.0000000 5.1387223 12 Nb 4.5491199 0.0000000 0.9228911 0.0000000 6.8158621 0.0000000 0.4835917 0.0000000 5.1387223 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 14 14 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 291, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/429) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 6.473 ( 0.000 0.000 0.000) 0.000 6.603 ( 0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 0.000) 0.000 7.677 ( 0.000 0.000 0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.766 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.846 ( 0.000 0.000 0.000) 0.000 10.076 ( 0.000 0.000 0.000) 0.000 10.097 ( 0.000 0.000 0.000) 0.000 10.724 ( 0.000 0.000 0.000) 0.000 11.888 ( 0.000 0.000 0.000) 0.000 12.040 ( 0.000 0.000 0.000) 0.000 12.905 ( 0.000 0.000 0.000) 0.000 13.724 ( 0.000 0.000 0.000) 0.000 13.893 ( 0.000 0.000 0.000) 0.000 14.092 ( 0.000 0.000 0.000) 0.000 14.464 ( 0.000 0.000 0.000) 0.000 14.861 ( 0.000 0.000 0.000) 0.000 14.992 ( 0.000 0.000 0.000) 0.000 15.801 ( 0.000 0.000 0.000) 0.000 16.401 ( 0.000 0.000 0.000) 0.000 16.756 ( 0.000 0.000 0.000) 0.000 20.083 ( 0.000 0.000 0.000) 0.000 21.219 ( 0.000 0.000 0.000) 0.000 23.654 ( 0.000 0.000 0.000) 0.000 24.139 ( 0.000 0.000 0.000) 0.000 27.525 ( 0.000 0.000 0.000) 0.000 27.694 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/429) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 27.040 -33.266 5.832) 43.264 0.743 ( 14.650 -33.324 17.680) 40.468 1.637 ( 14.614 -80.074 2.748) 81.443 3.958 ( -0.008 -35.001 -0.564) 35.006 4.906 ( -0.688 0.102 1.807) 1.936 5.208 ( 5.493 0.134 -1.987) 5.843 6.426 ( -1.956 9.383 -1.954) 9.782 6.720 ( -1.193 -1.698 -1.545) 2.587 7.175 ( -7.231 -26.351 -4.517) 27.696 7.670 ( 3.241 9.132 5.871) 11.330 7.804 ( -1.891 10.913 2.359) 11.324 7.874 ( 6.804 -3.527 1.667) 7.843 9.034 ( 0.319 -22.294 -1.284) 22.333 9.749 ( -26.929 -5.299 -0.742) 27.455 9.934 ( 2.593 -5.882 -10.289) 12.132 10.075 ( 2.761 0.758 0.222) 2.872 10.431 ( 23.455 -2.292 14.450) 27.644 10.727 ( -6.175 -3.068 -4.958) 8.493 11.732 ( -13.013 10.019 -0.675) 16.437 12.068 ( 4.753 -0.130 7.861) 9.187 12.858 ( 5.994 7.291 -2.541) 9.774 13.735 ( -2.129 0.402 -1.259) 2.506 13.896 ( -4.494 -3.947 -2.349) 6.426 14.088 ( -2.529 0.162 2.654) 3.669 14.391 ( -4.189 4.741 -4.608) 7.827 15.003 ( 10.506 1.875 3.941) 11.377 15.635 ( -3.514 14.117 -0.778) 14.568 16.135 ( 12.253 28.049 5.344) 31.071 17.081 ( -5.353 -31.900 4.918) 32.718 18.408 ( 5.205 -21.785 -13.525) 26.164 21.196 ( -5.007 0.747 0.370) 5.075 23.638 ( -6.375 -1.473 -7.805) 10.185 23.748 ( -96.155 -41.324 -58.517) 119.907 26.324 ( 62.348 27.753 11.604) 69.225 27.514 ( -5.938 -2.680 -16.048) 17.320 27.758 ( -1.285 2.194 61.341) 61.394 ======================= Grid point 2 (3/429) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 20.934 -30.481 15.179) 39.972 1.581 ( 15.600 -42.886 5.778) 45.999 3.161 ( 14.252 -70.544 3.198) 72.041 4.684 ( -7.427 -37.113 -1.750) 37.889 4.915 ( -1.083 -2.018 5.881) 6.311 5.320 ( 16.115 -8.543 -4.150) 18.706 6.272 ( 0.219 6.067 -2.406) 6.530 6.741 ( -0.039 -0.778 -1.081) 1.332 7.408 ( -5.242 12.173 0.452) 13.261 7.566 ( 1.810 -14.569 -3.569) 15.108 7.710 ( -4.693 0.506 2.711) 5.443 8.142 ( 4.907 -20.877 7.658) 22.772 9.469 ( -0.238 -22.099 -8.131) 23.548 9.723 ( -14.769 -5.511 6.148) 16.920 10.013 ( 13.237 0.273 -10.118) 16.663 10.164 ( -5.100 -10.632 0.395) 11.799 10.599 ( -0.678 -5.236 -2.711) 5.935 10.817 ( -4.017 -11.768 -1.838) 12.570 11.455 ( -14.572 8.029 0.869) 16.660 12.127 ( 6.710 -0.687 10.939) 12.851 12.668 ( 6.036 16.080 -3.199) 17.471 13.603 ( -10.104 9.193 0.045) 13.660 13.981 ( -3.801 -1.125 -5.844) 7.062 14.100 ( -3.577 -8.498 6.908) 11.521 14.277 ( 3.302 5.582 -6.912) 9.479 15.045 ( 12.994 2.280 4.036) 13.796 15.280 ( -4.472 18.292 -4.384) 19.334 15.672 ( 13.532 27.560 8.388) 31.829 17.768 ( -8.116 -40.780 7.004) 42.165 18.854 ( -0.116 -24.463 -14.248) 28.310 21.149 ( -5.780 0.525 0.786) 5.857 23.606 ( -3.072 0.767 -4.718) 5.682 23.886 ( -44.754 -24.998 -26.984) 57.931 26.141 ( 34.289 23.626 13.884) 43.894 27.506 ( -5.872 -3.590 -18.208) 19.465 27.834 ( 4.307 0.485 32.649) 32.936 ======================= Grid point 3 (4/429) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 17.570 -28.566 14.627) 36.588 2.470 ( 13.592 -40.190 3.641) 42.582 4.367 ( 13.500 -40.969 4.483) 43.368 4.992 ( -1.947 -15.420 4.443) 16.165 5.164 ( -7.839 -17.059 -0.130) 18.774 5.688 ( 15.276 -13.543 -0.398) 20.419 6.200 ( 3.845 1.293 -5.936) 7.190 6.752 ( 0.635 -1.521 -1.488) 2.220 7.227 ( -13.157 0.842 -5.703) 14.365 7.733 ( -1.013 -6.798 7.175) 9.936 7.792 ( 6.942 -7.945 1.892) 10.719 8.662 ( -2.036 -29.041 6.289) 29.784 9.693 ( -5.651 -8.342 -12.104) 15.749 9.895 ( -7.911 -13.470 3.192) 15.944 10.059 ( 9.579 -0.793 -9.020) 13.181 10.379 ( -2.657 -13.771 0.387) 14.030 10.686 ( -5.021 -9.206 -7.707) 13.014 11.028 ( -7.885 -12.094 2.142) 14.596 11.364 ( -6.487 -6.536 0.721) 9.237 12.205 ( 8.012 0.897 11.154) 13.763 12.338 ( 4.568 18.736 -1.307) 19.329 13.314 ( -13.883 12.869 2.812) 19.138 13.862 ( 4.897 11.297 -3.403) 12.774 14.122 ( 6.761 14.229 -4.587) 16.407 14.366 ( -5.998 -17.768 0.670) 18.765 14.910 ( -0.930 12.108 -4.093) 12.815 15.118 ( 2.546 2.123 -0.500) 3.352 15.372 ( 12.308 9.962 10.226) 18.849 18.461 ( -11.009 -35.439 7.898) 37.941 19.229 ( -2.285 -18.006 -13.385) 22.551 21.126 ( -1.436 -0.435 0.899) 1.749 23.556 ( -2.283 1.971 -3.694) 4.769 24.046 ( -27.884 -18.341 -16.225) 37.110 25.908 ( 26.253 22.068 13.868) 36.994 27.515 ( -4.374 -3.822 -14.677) 15.785 27.905 ( 5.354 0.320 19.671) 20.390 ======================= Grid point 4 (5/429) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 13.101 -24.240 12.935) 30.439 3.243 ( 11.102 -33.126 2.429) 35.021 4.756 ( 8.635 -4.220 7.186) 12.000 5.346 ( -6.198 -5.769 -0.751) 8.501 5.474 ( 0.762 -18.791 1.880) 18.900 5.922 ( 11.803 -9.447 6.870) 16.606 6.243 ( 6.381 -3.853 -8.047) 10.969 6.795 ( -2.304 -2.495 -3.906) 5.176 7.149 ( -19.693 -2.974 -8.881) 21.807 7.878 ( 2.763 -5.325 0.095) 6.000 8.172 ( 9.720 -27.221 13.599) 31.943 9.182 ( -4.678 -26.631 5.187) 27.532 9.802 ( -1.615 -7.145 -9.603) 12.078 9.928 ( -14.273 -1.190 -13.858) 19.929 10.189 ( 8.211 -6.330 0.954) 10.412 10.602 ( -2.401 -9.657 1.253) 10.029 10.894 ( -2.332 -15.781 -7.230) 17.514 11.227 ( -8.509 -14.746 2.276) 17.176 11.575 ( -0.650 -15.312 0.686) 15.341 11.969 ( 4.488 15.838 -0.327) 16.465 12.336 ( 6.333 -2.326 12.738) 14.414 13.004 ( -11.198 12.114 3.176) 16.800 13.557 ( 10.251 24.669 -6.086) 27.398 13.865 ( 4.253 13.899 -2.810) 14.804 14.579 ( -7.008 -5.204 -3.039) 9.242 14.750 ( 0.821 4.646 1.452) 4.936 15.112 ( -0.302 -7.396 1.101) 7.484 15.489 ( 7.386 -9.458 5.362) 13.144 18.978 ( -12.463 -25.178 6.749) 28.894 19.442 ( -5.344 -9.337 -10.294) 14.890 21.154 ( 4.910 -1.092 0.481) 5.053 23.493 ( -1.733 2.712 -3.051) 4.434 24.174 ( -19.473 -12.210 -10.586) 25.305 25.686 ( 21.957 18.627 12.292) 31.307 27.542 ( -3.092 -3.773 -10.275) 11.374 27.956 ( 5.371 0.757 11.851) 13.033 ======================= Grid point 5 (6/429) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( 7.059 -17.313 10.434) 21.412 3.854 ( 9.059 -25.046 1.671) 26.686 4.891 ( 9.669 -4.124 6.935) 12.593 5.286 ( -6.227 6.566 1.637) 9.196 5.589 ( -1.264 0.496 -4.378) 4.584 6.212 ( 15.545 -6.713 9.180) 19.261 6.398 ( 1.372 -9.276 -4.130) 10.246 6.788 ( -6.045 -0.942 -4.737) 7.737 7.068 ( -19.587 -2.607 -7.387) 21.095 7.975 ( 4.062 -2.890 0.858) 5.059 8.867 ( 8.968 -34.920 10.266) 37.486 9.614 ( -1.938 -18.328 4.519) 18.976 9.825 ( -16.747 -2.402 -18.284) 24.911 9.881 ( 1.632 -2.593 0.202) 3.071 10.370 ( 7.092 -8.264 -6.722) 12.798 10.710 ( -2.622 -3.751 4.537) 6.444 11.160 ( -1.327 -13.694 -6.226) 15.101 11.436 ( -5.647 -8.653 1.221) 10.404 11.803 ( 2.799 2.611 0.958) 3.945 11.911 ( -1.550 -19.241 2.487) 19.463 12.400 ( 1.472 2.249 12.244) 12.536 12.779 ( -2.113 6.752 1.638) 7.262 13.128 ( 7.342 22.205 -6.796) 24.354 13.602 ( 4.869 17.339 -2.342) 18.161 14.538 ( -6.067 0.089 -5.112) 7.934 14.715 ( 2.296 1.944 5.217) 6.022 15.384 ( -2.632 -18.277 0.737) 18.481 15.730 ( 4.111 -10.183 2.884) 11.354 19.303 ( -11.392 -16.010 4.280) 20.110 19.496 ( -6.198 -2.398 -6.218) 9.101 21.212 ( 7.875 -0.558 0.021) 7.895 23.426 ( -1.145 2.759 -2.302) 3.771 24.235 ( -12.899 -6.107 -6.586) 15.718 25.519 ( 16.636 12.985 9.281) 23.055 27.578 ( -2.108 -3.270 -6.413) 7.501 27.983 ( 4.575 1.361 6.830) 8.333 ======================= Grid point 6 (7/429) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.555 ( 2.252 -8.782 6.312) 11.047 4.300 ( 6.878 -16.724 0.663) 18.095 5.026 ( 4.758 0.603 4.642) 6.674 5.123 ( -1.934 2.896 2.602) 4.347 5.517 ( -2.100 4.016 -5.953) 7.481 6.381 ( 13.230 -0.110 15.305) 20.231 6.504 ( -2.301 -3.831 -12.941) 13.691 6.773 ( -5.737 -1.993 -1.028) 6.160 7.003 ( -12.861 -1.890 -3.824) 13.550 8.039 ( 2.618 -1.621 0.858) 3.197 9.530 ( 2.580 -26.844 2.838) 27.116 9.705 ( 1.595 1.436 1.827) 2.819 9.842 ( -3.279 -3.278 -8.151) 9.377 9.994 ( -2.866 -7.717 3.483) 8.938 10.532 ( 0.498 -8.309 -11.873) 14.500 10.759 ( 1.989 0.136 7.720) 7.974 11.333 ( 0.432 -3.367 -3.455) 4.844 11.465 ( -5.322 -1.700 -1.347) 5.747 11.846 ( -0.272 -4.438 3.669) 5.765 12.267 ( -4.178 -10.215 6.722) 12.922 12.357 ( -0.370 -6.348 1.161) 6.464 12.652 ( 6.475 11.868 0.545) 13.530 12.895 ( 1.307 2.602 -3.210) 4.333 13.258 ( 3.934 20.496 -2.062) 20.972 14.534 ( -3.982 -3.084 -3.346) 6.047 14.710 ( 2.241 1.043 3.630) 4.392 15.690 ( -3.114 -14.696 0.233) 15.024 15.890 ( 2.989 -3.447 1.525) 4.811 19.458 ( -9.963 -3.375 -2.065) 10.720 19.491 ( -0.922 -4.326 1.228) 4.590 21.256 ( 5.583 0.153 -0.099) 5.586 23.373 ( -0.551 1.801 -1.272) 2.273 24.241 ( -6.342 -1.911 -3.123) 7.323 25.425 ( 8.964 6.428 4.966) 12.097 27.611 ( -1.163 -2.078 -3.147) 3.946 27.987 ( 2.745 1.332 3.234) 4.446 ======================= Grid point 7 (8/429) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 394 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( 0.000 -0.000 -0.000) 0.000 4.511 ( 0.000 -0.000 -0.000) 0.000 4.941 ( -0.000 -0.000 0.000) 0.000 5.180 ( 0.000 -0.000 0.000) 0.000 5.446 ( 0.000 -0.000 -0.000) 0.000 6.434 ( -0.000 -0.000 -0.000) 0.000 6.510 ( 0.000 -0.000 0.000) 0.000 6.779 ( -0.000 -0.000 0.000) 0.000 6.979 ( 0.000 -0.000 0.000) 0.000 8.064 ( 0.000 -0.000 -0.000) 0.000 9.648 ( 0.000 -0.000 0.000) 0.000 9.848 ( 0.000 -0.000 -0.000) 0.000 9.918 ( -0.000 -0.000 -0.000) 0.000 10.019 ( 0.000 -0.000 0.000) 0.000 10.627 ( -0.000 0.000 0.000) 0.000 10.744 ( -0.000 -0.000 -0.000) 0.000 11.312 ( 0.000 -0.000 0.000) 0.000 11.499 ( -0.000 -0.000 0.000) 0.000 11.901 ( -0.000 -0.000 -0.000) 0.000 12.275 ( 0.000 -0.000 0.000) 0.000 12.512 ( 0.000 -0.000 -0.000) 0.000 12.598 ( 0.000 -0.000 -0.000) 0.000 12.905 ( 0.000 -0.000 -0.000) 0.000 12.978 ( 0.000 -0.000 0.000) 0.000 14.557 ( -0.000 -0.000 -0.000) 0.000 14.711 ( 0.000 -0.000 0.000) 0.000 15.857 ( 0.000 -0.000 0.000) 0.000 15.901 ( -0.000 -0.000 -0.000) 0.000 19.442 ( -0.000 -0.000 -0.000) 0.000 19.544 ( 0.000 -0.000 0.000) 0.000 21.270 ( 0.000 -0.000 -0.000) 0.000 23.353 ( 0.000 -0.000 0.000) 0.000 24.235 ( 0.000 -0.000 0.000) 0.000 25.396 ( -0.000 -0.000 -0.000) 0.000 27.626 ( 0.000 -0.000 0.000) 0.000 27.984 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 16 (9/429) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 33.727 0.000 6.911) 34.428 0.508 ( 30.526 0.000 41.031) 51.141 1.003 ( 78.660 0.000 20.137) 81.196 3.594 ( 1.152 0.000 -0.738) 1.368 4.907 ( -1.751 -0.000 3.926) 4.299 5.272 ( 12.624 0.000 -2.956) 12.966 6.392 ( -8.327 -0.000 -7.648) 11.306 6.598 ( 0.385 0.000 -3.855) 3.874 6.795 ( 8.440 0.000 9.271) 12.537 7.817 ( -0.578 -0.000 0.975) 1.133 7.997 ( 0.008 0.000 -1.414) 1.414 8.008 ( 2.586 0.000 0.589) 2.653 8.842 ( -6.855 -0.000 19.253) 20.437 9.165 ( -2.521 -0.000 -2.254) 3.382 9.844 ( -0.765 -0.000 1.405) 1.599 10.106 ( 1.143 0.000 0.938) 1.479 10.595 ( -13.154 -0.000 -12.866) 18.400 11.064 ( -15.648 -0.000 16.028) 22.400 11.727 ( -30.904 -0.000 25.648) 40.161 12.182 ( 15.704 0.000 9.001) 18.101 12.987 ( 15.750 0.000 -11.288) 19.377 13.725 ( 0.360 0.000 -1.107) 1.164 13.830 ( -9.690 -0.000 -3.211) 10.208 14.083 ( 0.494 0.000 -2.963) 3.004 14.488 ( 1.499 0.000 5.893) 6.081 14.859 ( -0.325 -0.000 -0.023) 0.326 15.748 ( -1.488 -0.000 7.674) 7.817 16.428 ( 3.371 0.000 3.987) 5.221 16.756 ( -0.016 -0.000 -0.014) 0.021 18.963 ( 39.358 0.000 -109.372) 116.238 20.083 ( 0.018 0.000 -0.018) 0.026 21.219 ( -0.002 -0.000 -0.024) 0.024 23.644 ( -1.492 -0.000 -0.287) 1.519 27.140 ( 47.815 0.000 -156.256) 163.409 27.522 ( -0.189 -0.000 -1.444) 1.456 28.141 ( -81.951 -0.000 265.486) 277.846 ======================= Grid point 17 (10/429) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 25.718 -26.817 26.094) 45.404 1.172 ( 32.753 -27.401 13.240) 44.709 2.016 ( 45.390 -57.469 10.729) 74.014 3.957 ( 0.685 -32.894 -1.611) 32.940 4.900 ( -3.054 -0.201 5.889) 6.636 5.325 ( 16.723 -0.246 -5.183) 17.509 6.372 ( -4.467 4.133 -5.247) 8.035 6.681 ( -2.518 -5.308 -5.267) 7.890 7.110 ( -0.718 -24.110 1.842) 24.191 7.706 ( -0.095 15.214 2.726) 15.457 7.791 ( -1.839 10.214 1.976) 10.565 7.992 ( 7.614 -3.383 8.245) 11.722 9.030 ( 0.545 -20.545 -4.209) 20.978 9.463 ( -18.698 -15.036 -1.833) 24.063 9.921 ( -0.976 -8.254 -1.078) 8.381 10.106 ( 3.176 1.189 -1.756) 3.820 10.498 ( -15.881 -2.345 -15.070) 22.018 10.762 ( 10.831 8.338 9.105) 16.424 11.490 ( -27.984 7.075 6.916) 29.682 12.217 ( 12.581 2.839 14.682) 19.543 12.956 ( 13.005 9.904 -8.422) 18.389 13.665 ( -9.776 4.643 -2.464) 11.100 13.801 ( -7.192 -6.204 -2.945) 9.944 14.079 ( 0.868 0.521 1.283) 1.634 14.337 ( -1.671 4.276 -3.238) 5.618 15.153 ( 8.801 -4.321 4.677) 10.863 15.600 ( 0.113 15.026 -3.074) 15.338 16.359 ( 16.986 25.339 10.541) 32.276 17.006 ( -11.627 -30.761 10.805) 34.614 18.439 ( 14.671 -7.947 -30.558) 34.816 21.067 ( -17.520 -5.133 -0.406) 18.261 22.428 ( -61.134 -92.078 -51.361) 121.875 23.629 ( -2.167 0.406 -0.078) 2.206 26.879 ( 37.058 26.561 -35.323) 57.676 27.407 ( -8.607 2.298 6.265) 10.891 27.986 ( -8.227 7.110 80.070) 80.805 ======================= Grid point 18 (11/429) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 22.233 -31.500 24.050) 45.442 1.891 ( 32.023 -29.101 7.466) 43.910 3.419 ( 25.951 -63.201 6.814) 68.660 4.605 ( -3.479 -31.291 -3.353) 31.662 4.918 ( -3.790 -3.294 9.849) 11.055 5.522 ( 20.468 -11.007 -5.946) 23.988 6.260 ( 0.029 4.572 -5.361) 7.046 6.738 ( 0.979 -2.011 -2.488) 3.345 7.342 ( -5.762 16.337 0.113) 17.324 7.540 ( -3.281 -18.826 -2.986) 19.341 7.705 ( 0.829 0.252 5.743) 5.808 8.226 ( 2.807 -16.273 10.246) 19.434 9.402 ( -3.372 -17.223 -17.969) 25.117 9.596 ( -10.861 -12.351 7.854) 18.226 10.092 ( -1.113 -0.205 -3.221) 3.414 10.111 ( 2.481 -11.088 -6.534) 13.107 10.478 ( -9.995 -7.304 -12.393) 17.516 10.825 ( 0.311 -5.869 6.337) 8.643 11.249 ( -20.397 1.372 2.978) 20.659 12.281 ( 10.478 0.698 15.149) 18.433 12.736 ( 7.947 18.050 -6.432) 20.745 13.442 ( -16.311 9.500 0.974) 18.901 13.936 ( -0.977 -8.304 -7.653) 11.335 14.082 ( -0.664 -2.077 3.007) 3.714 14.282 ( 0.640 1.481 -2.887) 3.307 15.195 ( 0.222 7.193 0.369) 7.206 15.252 ( 11.346 17.674 -2.300) 21.128 15.900 ( 17.554 31.105 12.380) 37.801 17.662 ( -15.872 -41.285 10.791) 45.528 18.790 ( 2.321 -23.108 -24.122) 33.485 21.061 ( -9.538 -3.772 1.757) 10.406 23.234 ( -34.319 -39.954 -29.755) 60.494 23.611 ( -4.003 -1.077 0.691) 4.202 26.540 ( 25.980 25.658 4.608) 36.804 27.384 ( -5.313 -3.669 -11.325) 13.036 28.001 ( 2.648 2.314 33.732) 33.915 ======================= Grid point 19 (12/429) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 25.212 -22.698 20.548) 39.662 2.687 ( 20.252 -34.972 4.910) 40.710 4.566 ( 15.513 -34.370 6.553) 38.273 4.972 ( -3.510 -20.307 3.013) 20.827 5.123 ( -0.730 -16.019 3.267) 16.365 5.852 ( 12.889 -9.133 1.274) 15.848 6.215 ( 3.356 -1.423 -11.649) 12.205 6.749 ( -0.425 0.711 -3.326) 3.428 7.066 ( -9.879 6.586 -3.909) 12.500 7.727 ( -1.613 -9.424 4.855) 10.723 7.900 ( 7.179 -12.768 6.115) 15.873 8.647 ( -5.714 -25.732 7.852) 27.503 9.563 ( -6.469 -10.945 -19.534) 23.307 9.776 ( -11.777 -6.576 -2.266) 13.678 10.126 ( 5.089 -5.582 -4.709) 8.902 10.356 ( -1.460 -14.352 -0.272) 14.429 10.610 ( -0.549 -11.227 -8.518) 14.104 10.928 ( -12.460 -9.485 6.967) 17.139 11.299 ( -4.860 -12.712 0.293) 13.613 12.335 ( 5.554 10.789 6.212) 13.632 12.405 ( 8.024 10.386 4.199) 13.779 13.156 ( -14.032 11.038 2.702) 18.057 13.930 ( 9.088 8.705 -5.233) 13.629 14.130 ( -1.196 7.645 -8.779) 11.702 14.317 ( -3.817 -11.667 5.934) 13.634 14.874 ( -2.051 11.876 -5.183) 13.119 15.166 ( 4.855 7.624 0.963) 9.090 15.575 ( 15.090 12.797 11.101) 22.687 18.324 ( -17.730 -35.946 9.210) 41.125 19.142 ( -1.896 -17.248 -17.641) 24.745 21.117 ( -0.702 -4.858 1.664) 5.183 23.485 ( -6.442 -4.272 -10.033) 12.665 23.723 ( -17.427 -18.832 -7.424) 26.711 26.232 ( 20.569 22.934 10.236) 32.463 27.420 ( -3.290 -4.780 -11.834) 13.180 28.037 ( 4.764 1.648 18.503) 19.177 ======================= Grid point 20 (13/429) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 20.281 -17.432 17.026) 31.703 3.413 ( 15.801 -29.488 3.899) 33.682 4.867 ( 4.573 -4.915 7.857) 10.335 5.290 ( -3.933 -5.003 1.793) 6.612 5.488 ( 1.164 -13.699 -0.962) 13.782 6.097 ( 12.486 -12.980 10.981) 21.094 6.272 ( 3.924 -4.040 -12.844) 14.024 6.691 ( -14.053 -0.506 -8.054) 16.206 6.957 ( -5.119 0.431 -4.144) 6.601 7.913 ( 2.627 -6.651 2.242) 7.495 8.331 ( 8.956 -27.475 11.921) 31.260 9.112 ( -11.048 -26.927 2.812) 29.241 9.671 ( -8.522 -5.709 -26.854) 28.746 9.777 ( -6.459 -5.887 3.691) 9.487 10.273 ( 6.574 -5.867 -5.126) 10.194 10.587 ( -2.084 -9.377 6.006) 11.329 10.850 ( -0.163 -15.654 -8.209) 17.677 11.141 ( -7.903 -17.130 3.912) 19.267 11.570 ( -0.837 -16.235 0.791) 16.275 12.010 ( 2.622 15.714 -0.608) 15.943 12.463 ( 6.856 -0.200 13.360) 15.018 12.895 ( -8.542 9.201 1.228) 12.615 13.649 ( 8.933 25.702 -5.760) 27.813 13.904 ( 4.647 12.064 -3.766) 13.466 14.472 ( -8.835 -3.886 -3.710) 10.341 14.759 ( -0.940 0.923 3.293) 3.546 15.114 ( -0.035 -5.355 0.977) 5.443 15.614 ( 10.039 -4.448 6.058) 12.540 18.823 ( -17.827 -26.490 5.981) 32.485 19.343 ( -4.253 -9.157 -10.791) 14.778 21.223 ( 6.227 -3.639 0.864) 7.264 23.457 ( -1.951 1.650 -3.925) 4.684 23.946 ( -13.714 -14.737 -7.173) 21.371 25.957 ( 17.106 19.795 9.745) 27.919 27.475 ( -2.212 -4.699 -8.642) 10.083 28.060 ( 5.052 1.939 10.569) 11.874 ======================= Grid point 21 (14/429) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.438 ( 14.645 -10.600 14.691) 23.295 3.989 ( 12.395 -22.026 2.287) 25.378 5.004 ( 4.724 -5.511 6.693) 9.874 5.230 ( -5.136 7.000 3.589) 9.395 5.552 ( -1.111 1.757 -8.010) 8.275 6.354 ( -7.047 -6.024 -13.967) 16.764 6.407 ( 8.902 -6.735 14.384) 18.207 6.623 ( -15.316 -5.260 -3.709) 16.614 6.955 ( 4.935 -0.803 -2.729) 5.696 8.013 ( 1.489 -2.767 2.297) 3.893 8.990 ( 5.628 -32.215 7.208) 33.488 9.476 ( -18.386 -18.240 -17.114) 31.042 9.694 ( 1.963 -7.717 -0.249) 7.967 9.898 ( 0.424 -5.818 4.365) 7.286 10.401 ( 4.339 -5.430 -12.426) 14.238 10.725 ( -0.079 -5.606 10.281) 11.710 11.124 ( -0.932 -14.387 -6.428) 15.786 11.383 ( -4.139 -8.346 1.649) 9.461 11.829 ( 1.336 2.733 -0.253) 3.053 11.903 ( -1.792 -17.948 3.189) 18.317 12.456 ( 0.898 6.549 10.720) 12.595 12.775 ( 0.609 0.440 0.309) 0.812 13.180 ( 5.401 24.819 -5.193) 25.925 13.659 ( 6.429 17.807 -2.827) 19.142 14.429 ( -9.001 -1.736 -4.960) 10.423 14.756 ( 0.977 0.928 5.372) 5.538 15.358 ( -2.126 -17.346 0.630) 17.487 15.799 ( 5.615 -7.735 3.080) 10.042 19.148 ( -16.036 -17.911 2.031) 24.126 19.426 ( -2.705 -4.316 -4.491) 6.790 21.305 ( 7.832 -0.217 0.228) 7.838 23.405 ( -0.991 2.145 -2.275) 3.280 24.088 ( -8.623 -8.714 -4.594) 13.091 25.724 ( 12.835 15.919 7.438) 21.760 27.534 ( -1.577 -4.089 -5.357) 6.922 28.059 ( 4.282 2.745 5.851) 7.753 ======================= Grid point 22 (15/429) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( 11.039 -2.809 11.005) 15.838 4.390 ( 7.882 -13.282 0.258) 15.446 5.038 ( -2.659 8.831 3.077) 9.723 5.150 ( 1.987 -4.435 3.715) 6.117 5.461 ( -3.392 3.405 -7.037) 8.521 6.299 ( -20.425 -2.624 -19.368) 28.270 6.535 ( 1.192 -1.751 15.064) 15.212 6.712 ( -1.748 -6.747 0.930) 7.031 7.023 ( 14.674 -0.354 0.807) 14.701 8.052 ( -1.461 -0.944 2.118) 2.741 9.451 ( -9.958 -14.106 -7.248) 18.726 9.638 ( -5.895 -15.162 -18.250) 24.448 9.920 ( 8.131 -7.304 9.950) 14.781 10.020 ( 2.945 -4.051 14.125) 14.987 10.484 ( 0.669 -5.889 -11.910) 13.304 10.839 ( 4.787 -1.074 8.549) 9.857 11.317 ( -0.924 -2.867 -4.252) 5.211 11.407 ( -3.438 -3.782 -1.019) 5.212 11.844 ( -1.633 -3.647 1.782) 4.376 12.251 ( -2.740 -12.571 6.764) 14.536 12.368 ( 1.779 -2.353 -0.059) 2.950 12.729 ( 5.952 14.157 1.263) 15.409 12.882 ( -1.329 1.146 -3.197) 3.647 13.301 ( 4.426 22.105 -1.903) 22.624 14.453 ( -7.052 -5.975 -3.790) 9.990 14.752 ( 1.989 1.514 3.936) 4.663 15.658 ( -2.412 -14.481 0.084) 14.681 15.935 ( 3.601 -2.498 1.493) 4.630 19.325 ( -10.675 -9.582 -1.321) 14.405 19.493 ( 0.175 -4.303 0.350) 4.321 21.318 ( 4.907 2.765 -0.066) 5.632 23.364 ( -0.311 1.279 -1.002) 1.654 24.171 ( -3.790 -5.107 -2.251) 6.746 25.534 ( 6.705 11.351 3.983) 13.772 27.587 ( -1.046 -3.066 -2.620) 4.166 28.030 ( 2.575 3.234 2.734) 4.956 ======================= Grid point 23 (16/429) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 8.642 5.794 4.564) 11.361 4.503 ( -0.931 5.820 -0.265) 5.900 4.949 ( 1.021 -2.019 -0.914) 2.440 5.146 ( -4.275 4.418 -2.368) 6.588 5.449 ( -0.149 -4.463 1.915) 4.858 6.207 ( -20.221 -4.312 -17.087) 26.823 6.571 ( -0.716 0.594 11.139) 11.178 6.797 ( 2.310 -1.835 1.605) 3.359 7.137 ( 20.486 0.099 3.811) 20.838 8.040 ( -4.395 0.643 1.073) 4.569 9.569 ( -6.692 -7.749 -12.847) 16.428 9.778 ( -5.679 -5.555 -6.414) 10.210 9.910 ( -2.098 10.664 3.933) 11.558 10.140 ( 9.172 1.458 11.770) 14.992 10.640 ( 4.947 -8.678 -2.427) 10.280 10.771 ( 1.301 10.883 6.189) 12.587 11.294 ( -2.661 -2.529 -1.753) 4.068 11.517 ( 2.800 -2.847 0.387) 4.012 11.885 ( -2.009 -0.548 -2.054) 2.925 12.289 ( 2.274 -0.409 0.553) 2.376 12.509 ( -0.658 3.922 0.419) 3.998 12.615 ( 2.807 -2.316 -0.448) 3.667 12.884 ( -2.572 3.429 -1.184) 4.447 12.980 ( -0.465 1.456 1.165) 1.922 14.520 ( -4.681 -4.552 -2.214) 6.894 14.730 ( 1.872 2.673 1.985) 3.820 15.842 ( -1.530 -5.446 -0.758) 5.707 15.922 ( 2.546 5.871 0.609) 6.429 19.419 ( -2.939 -5.540 -0.470) 6.288 19.567 ( 2.953 -1.604 0.438) 3.389 21.268 ( -0.339 3.562 -0.068) 3.579 23.355 ( 0.219 -0.480 0.224) 0.573 24.245 ( 1.441 -3.906 0.265) 4.172 25.389 ( -1.070 6.155 -0.318) 6.255 27.624 ( -0.207 -1.415 0.031) 1.430 27.985 ( 0.151 2.435 -0.012) 2.440 ======================= Grid point 24 (17/429) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.556 ( 4.404 15.126 -2.020) 15.883 4.232 ( -3.836 18.897 -0.556) 19.290 4.901 ( -11.853 5.035 -5.465) 13.990 5.168 ( 5.597 -7.988 -0.709) 9.779 5.555 ( 1.392 -4.412 3.692) 5.919 6.141 ( -16.989 -1.895 -10.810) 20.226 6.537 ( -0.592 4.620 4.360) 6.380 6.833 ( 3.993 0.094 2.854) 4.909 7.256 ( 22.311 1.837 6.380) 23.278 7.986 ( -6.260 1.742 -0.069) 6.498 9.391 ( -10.807 24.107 -10.977) 28.608 9.732 ( 4.337 0.769 -1.754) 4.741 9.852 ( -4.310 -2.796 2.062) 5.535 10.097 ( 9.727 8.915 7.583) 15.218 10.537 ( -4.513 11.940 7.921) 15.022 10.764 ( 5.766 0.191 -2.000) 6.106 11.333 ( -1.381 0.924 1.642) 2.336 11.537 ( 5.505 1.679 3.500) 6.736 11.822 ( -1.397 4.567 -5.699) 7.436 12.295 ( 4.686 8.691 -6.257) 11.690 12.366 ( 2.177 11.909 -2.805) 12.427 12.580 ( -5.741 -11.230 1.529) 12.705 12.876 ( -3.610 -4.013 2.740) 6.053 13.227 ( -2.553 -19.287 1.767) 19.535 14.555 ( -1.925 -1.840 0.693) 2.752 14.690 ( 0.791 1.915 -1.036) 2.316 15.726 ( 3.073 14.830 -0.330) 15.148 15.856 ( -1.943 4.137 -1.193) 4.724 19.485 ( -0.223 -0.550 0.268) 0.651 19.585 ( 9.346 2.358 0.293) 9.644 21.192 ( -5.116 2.457 0.101) 5.676 23.385 ( 0.632 -2.282 1.211) 2.660 24.341 ( 8.293 -2.716 3.754) 9.499 25.292 ( -10.164 -0.122 -5.294) 11.460 27.637 ( 1.111 0.627 3.139) 3.388 27.944 ( -2.418 0.932 -3.190) 4.110 ======================= Grid point 25 (18/429) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( -1.901 23.762 -6.006) 24.583 3.769 ( -4.608 27.465 -0.683) 27.857 4.743 ( -10.526 2.708 -5.612) 12.232 5.364 ( 7.401 -7.125 0.487) 10.285 5.613 ( 1.091 0.390 0.699) 1.353 6.002 ( -14.939 5.802 -4.623) 16.680 6.389 ( -1.303 10.783 0.698) 10.884 6.851 ( 3.326 1.131 2.980) 4.606 7.351 ( 21.023 2.978 8.504) 22.872 7.910 ( -6.820 2.022 -0.652) 7.143 8.725 ( -7.890 35.620 -9.772) 37.769 9.612 ( 1.007 16.051 -3.730) 16.509 9.856 ( -2.810 -0.576 1.132) 3.083 10.070 ( 13.514 2.551 12.149) 18.350 10.307 ( -5.950 10.237 3.266) 12.282 10.742 ( 4.006 4.198 -0.821) 5.860 11.197 ( 1.147 12.460 4.692) 13.363 11.500 ( 5.243 8.412 0.611) 9.931 11.760 ( -3.323 -2.390 -1.697) 4.431 11.920 ( 1.230 20.554 -1.599) 20.652 12.330 ( -2.671 1.852 -10.819) 11.297 12.816 ( 5.705 -13.598 -3.409) 15.135 13.061 ( -8.723 -19.046 7.431) 22.228 13.564 ( -2.866 -16.798 1.476) 17.104 14.598 ( 0.550 -3.364 4.173) 5.388 14.678 ( -0.022 -0.990 -4.106) 4.224 15.411 ( 2.312 19.039 -0.563) 19.187 15.683 ( -2.240 11.962 -2.071) 12.345 19.379 ( 4.731 12.397 -2.851) 13.572 19.606 ( 8.020 3.072 3.998) 9.474 21.128 ( -6.135 0.598 0.104) 6.165 23.447 ( 0.932 -3.250 1.704) 3.786 24.440 ( 17.104 2.124 8.680) 19.298 25.268 ( -19.597 -8.690 -10.558) 23.896 27.631 ( 2.496 1.986 6.701) 7.421 27.904 ( -4.218 0.367 -6.975) 8.159 ======================= Grid point 26 (19/429) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( -6.219 29.773 -7.033) 31.218 3.138 ( -5.591 36.028 -1.049) 36.474 4.638 ( -6.752 4.078 -4.332) 9.000 5.435 ( 3.955 10.285 5.098) 12.141 5.469 ( 5.513 18.164 -5.395) 19.734 5.760 ( -12.783 5.454 -3.355) 14.297 6.204 ( -3.548 4.854 3.379) 6.896 6.822 ( 0.860 4.038 1.738) 4.480 7.417 ( 18.854 4.868 10.344) 22.049 7.829 ( -7.030 2.329 -1.136) 7.492 8.019 ( -6.757 28.687 -11.203) 31.529 9.202 ( 1.822 25.999 -3.243) 26.264 9.839 ( 0.805 2.524 3.779) 4.615 10.095 ( -7.077 7.110 13.874) 17.120 10.118 ( 9.891 5.105 -5.128) 12.256 10.626 ( 2.117 10.335 -0.429) 10.558 10.946 ( 2.087 14.542 4.370) 15.327 11.314 ( 6.336 13.131 0.243) 14.582 11.583 ( 0.996 14.331 -0.317) 14.369 11.915 ( -4.309 -15.463 0.083) 16.052 12.228 ( -4.510 3.203 -8.940) 10.513 13.123 ( 10.741 -13.975 -4.042) 18.083 13.462 ( -9.298 -25.361 5.583) 27.582 13.827 ( -3.205 -13.150 1.325) 13.600 14.653 ( 3.893 5.099 1.612) 6.614 14.734 ( -1.158 -7.921 -0.029) 8.005 15.113 ( 0.383 9.003 -0.805) 9.047 15.407 ( -3.757 13.722 -3.262) 14.596 19.064 ( 6.002 23.947 -4.101) 25.026 19.530 ( 3.865 10.213 5.912) 12.418 21.108 ( -2.683 -1.282 -0.175) 2.979 23.518 ( 0.986 -3.221 1.608) 3.733 24.469 ( 22.290 9.242 12.266) 27.068 25.365 ( -23.442 -17.125 -12.981) 31.801 27.623 ( 3.753 2.390 10.926) 11.797 27.849 ( -5.018 0.808 -11.812) 12.860 ======================= Grid point 27 (20/429) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -6.414 33.461 -5.418) 34.498 2.351 ( -4.848 43.447 -1.343) 43.738 4.242 ( -5.171 43.232 -1.590) 43.569 4.991 ( 0.300 13.315 -1.884) 13.451 5.296 ( 13.112 14.939 0.357) 19.880 5.503 ( -15.610 19.197 0.407) 24.747 6.184 ( -1.261 -2.838 1.640) 3.512 6.751 ( -0.182 1.979 0.480) 2.044 7.389 ( 9.189 6.743 5.231) 12.541 7.643 ( -6.732 3.291 -6.845) 10.149 7.776 ( 0.534 3.023 0.682) 3.145 8.658 ( 0.422 31.223 -2.389) 31.317 9.783 ( 3.252 7.004 6.226) 9.919 9.923 ( 2.117 8.806 -11.173) 14.383 10.005 ( -5.266 8.355 11.211) 14.940 10.409 ( 1.879 12.557 -0.131) 12.698 10.745 ( 1.575 8.626 2.216) 9.044 11.098 ( 3.601 13.764 1.144) 14.273 11.427 ( 3.527 1.644 -0.354) 3.907 12.099 ( -3.699 0.124 -5.065) 6.273 12.300 ( -2.076 -18.941 0.433) 19.059 13.434 ( 6.523 -13.396 -1.480) 14.973 13.846 ( 0.218 -16.303 1.393) 16.364 14.041 ( -6.469 -11.904 1.316) 13.612 14.423 ( 2.787 17.506 0.717) 17.741 14.926 ( 0.126 -10.481 1.395) 10.575 15.124 ( 2.306 1.009 3.635) 4.421 15.219 ( -7.649 -9.280 -7.393) 14.116 18.525 ( 3.614 35.249 -3.013) 35.561 19.284 ( 1.013 18.240 4.873) 18.907 21.138 ( 0.713 -2.206 -0.265) 2.334 23.581 ( 0.666 -2.561 0.984) 2.823 24.412 ( 19.446 11.476 11.456) 25.320 25.570 ( -18.228 -19.206 -10.000) 28.304 27.630 ( 5.022 2.215 16.739) 17.615 27.768 ( -5.366 1.570 -18.602) 19.424 ======================= Grid point 28 (21/429) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -0.000 36.150 0.000) 36.150 1.477 ( -0.000 45.629 0.000) 45.629 3.071 ( -0.000 72.730 0.000) 72.730 4.747 ( -0.000 43.716 0.000) 43.716 4.906 ( -0.000 0.518 0.000) 0.518 5.221 ( -0.000 4.026 0.000) 4.026 6.275 ( 0.000 -6.678 -0.000) 6.678 6.743 ( -0.000 0.327 0.000) 0.327 7.444 ( 0.000 -9.843 -0.000) 9.843 7.553 ( -0.000 8.646 0.000) 8.646 7.746 ( -0.000 0.755 0.000) 0.755 8.089 ( -0.000 24.705 0.000) 24.705 9.484 ( -0.000 23.123 0.000) 23.123 9.861 ( -0.000 1.043 0.000) 1.043 9.894 ( -0.000 0.639 0.000) 0.639 10.200 ( -0.000 9.818 0.000) 9.818 10.579 ( -0.000 11.204 0.000) 11.204 10.869 ( -0.000 10.050 0.000) 10.050 11.546 ( 0.000 -10.900 -0.000) 10.900 12.062 ( -0.000 1.133 0.000) 1.133 12.636 ( 0.000 -15.095 -0.000) 15.095 13.661 ( 0.000 -8.191 -0.000) 8.191 14.060 ( 0.000 -4.907 -0.000) 4.907 14.077 ( -0.000 11.133 0.000) 11.133 14.268 ( 0.000 -7.281 -0.000) 7.281 14.949 ( -0.000 1.262 0.000) 1.262 15.329 ( 0.000 -17.857 -0.000) 17.857 15.561 ( 0.000 -25.712 -0.000) 25.712 17.802 ( -0.000 40.515 0.000) 40.515 18.884 ( -0.000 24.550 0.000) 24.550 21.182 ( 0.000 -1.888 -0.000) 1.888 23.624 ( 0.000 -1.653 -0.000) 1.653 24.309 ( -0.000 8.267 0.000) 8.267 25.827 ( 0.000 -15.410 -0.000) 15.410 27.639 ( -0.000 4.384 0.000) 4.384 27.681 ( 0.000 -0.329 -0.000) 0.329 ======================= Grid point 31 (22/429) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 32.089 0.000 6.725) 32.786 1.026 ( 32.498 0.000 38.577) 50.441 1.986 ( 75.885 0.000 20.741) 78.669 3.608 ( 1.805 0.000 -1.445) 2.312 4.889 ( -5.374 -0.000 7.696) 9.387 5.470 ( 23.714 0.000 -6.130) 24.493 6.257 ( -9.197 -0.000 -7.807) 12.064 6.585 ( 1.089 0.000 -7.701) 7.778 6.942 ( 9.604 0.000 10.957) 14.571 7.812 ( -1.171 -0.000 1.805) 2.151 7.989 ( 0.047 0.000 -2.689) 2.689 8.047 ( 2.186 0.000 3.605) 4.216 8.834 ( -3.741 -0.000 9.920) 10.602 9.111 ( -4.507 -0.000 -4.040) 6.053 9.839 ( -1.341 -0.000 2.542) 2.874 10.129 ( 1.898 0.000 1.552) 2.451 10.319 ( -21.877 -0.000 -18.673) 28.762 10.935 ( -9.666 -0.000 -5.439) 11.091 11.410 ( -37.569 -0.000 22.987) 44.043 12.410 ( 12.775 0.000 18.648) 22.604 13.142 ( 18.336 0.000 -16.932) 24.958 13.651 ( -16.061 -0.000 -4.664) 16.724 13.730 ( -0.139 -0.000 0.360) 0.386 14.097 ( 3.738 0.000 -2.945) 4.759 14.527 ( 0.518 0.000 6.952) 6.972 14.853 ( -0.586 -0.000 -0.042) 0.587 15.756 ( 1.467 0.000 -4.094) 4.348 16.514 ( 7.764 0.000 7.127) 10.539 16.755 ( -0.029 -0.000 -0.025) 0.038 19.031 ( 23.826 0.000 -51.818) 57.033 20.083 ( 0.032 0.000 -0.033) 0.046 21.219 ( -0.004 -0.000 -0.043) 0.043 23.618 ( -2.554 -0.000 -0.528) 2.608 27.106 ( 18.136 0.000 -66.210) 68.649 27.505 ( -2.002 -0.000 -1.105) 2.286 28.198 ( -32.267 -0.000 118.462) 122.778 ======================= Grid point 32 (23/429) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 30.908 -19.849 29.477) 47.097 1.551 ( 26.356 -36.299 8.991) 45.750 2.700 ( 58.365 -30.324 16.998) 67.934 3.968 ( 2.671 -31.522 -2.295) 31.718 4.872 ( -6.944 -0.757 9.060) 11.440 5.544 ( 23.647 1.428 -7.228) 24.768 6.293 ( -4.748 -1.827 -6.565) 8.306 6.639 ( 0.006 -6.936 -8.827) 11.226 7.155 ( 4.324 -14.984 7.355) 17.243 7.705 ( -0.598 18.099 0.116) 18.110 7.776 ( -1.810 7.703 1.580) 8.069 8.088 ( 2.791 -4.138 9.504) 10.735 9.013 ( 0.356 -17.387 -8.037) 19.158 9.285 ( -12.272 -14.758 1.285) 19.237 9.903 ( -2.870 -6.986 2.444) 7.938 10.097 ( -6.750 1.550 -10.986) 12.987 10.251 ( -9.474 -7.052 -9.311) 15.039 10.828 ( -0.724 2.222 -2.628) 3.516 11.164 ( -33.294 4.587 13.331) 36.156 12.435 ( 12.072 5.056 17.975) 22.235 13.074 ( 13.644 12.959 -13.985) 23.445 13.489 ( -17.025 5.782 -0.371) 17.984 13.744 ( -1.814 -4.830 -1.568) 5.393 14.118 ( 5.596 0.309 -2.373) 6.086 14.318 ( -0.379 6.224 -1.329) 6.375 15.229 ( 1.570 -10.367 5.488) 11.835 15.611 ( 4.143 13.125 -7.106) 15.490 16.567 ( 11.484 13.196 9.935) 20.118 16.915 ( -10.301 -21.007 12.040) 26.313 18.526 ( 20.245 7.458 -32.404) 38.930 20.818 ( -21.584 -18.672 -0.754) 28.550 21.897 ( -14.815 -68.493 -22.903) 73.725 23.598 ( -2.816 0.364 -0.481) 2.880 27.037 ( 18.168 9.404 -40.236) 45.138 27.355 ( -6.953 8.152 12.782) 16.679 28.154 ( -8.041 5.488 61.143) 61.913 ======================= Grid point 33 (24/429) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 26.974 -29.733 21.809) 45.686 2.313 ( 32.277 -24.827 11.722) 42.374 3.792 ( 30.496 -50.366 10.240) 59.763 4.586 ( 2.830 -27.605 -4.214) 28.068 4.895 ( -7.054 -5.670 11.818) 14.885 5.736 ( 19.214 -9.335 -5.943) 22.173 6.230 ( -0.680 3.631 -7.946) 8.762 6.745 ( 2.301 -3.312 -5.644) 6.936 7.282 ( -4.006 19.397 -0.949) 19.830 7.503 ( -1.951 -15.417 2.673) 15.768 7.750 ( 2.944 -4.534 4.996) 7.361 8.270 ( -2.416 -12.761 10.176) 16.500 9.266 ( -6.327 -12.320 -21.032) 25.182 9.516 ( -8.140 -14.703 5.029) 17.543 9.989 ( -11.615 -5.711 -3.508) 13.410 10.108 ( 0.782 -9.952 -8.951) 13.408 10.394 ( 2.007 -11.019 -5.484) 12.471 10.801 ( -10.030 1.070 7.163) 12.371 11.035 ( -16.117 -8.819 1.623) 18.444 12.461 ( 8.384 2.449 15.782) 18.038 12.796 ( 7.307 19.584 -9.033) 22.771 13.262 ( -13.947 8.474 2.542) 16.516 13.887 ( -2.639 -11.433 -6.337) 13.336 14.119 ( 5.777 3.191 -1.783) 6.836 14.275 ( -0.556 -0.963 -0.091) 1.116 15.150 ( -3.509 15.308 -2.812) 15.954 15.410 ( 12.594 11.892 -0.576) 17.331 16.154 ( 16.405 32.347 14.336) 39.000 17.486 ( -20.054 -40.689 9.450) 46.336 18.742 ( 5.967 -19.214 -26.100) 32.955 20.955 ( -9.466 -10.008 2.977) 14.093 22.833 ( -18.450 -44.731 -19.907) 52.322 23.573 ( -3.144 0.201 -0.137) 3.154 26.783 ( 15.631 21.375 -2.669) 26.615 27.296 ( -4.238 -3.181 -6.180) 8.141 28.145 ( 1.441 3.070 29.345) 29.540 ======================= Grid point 34 (25/429) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 28.757 -19.855 24.109) 42.455 2.972 ( 25.489 -28.447 4.264) 38.434 4.731 ( 5.745 -20.578 7.528) 22.652 4.949 ( -1.509 -24.776 1.556) 24.871 5.160 ( 4.720 -18.272 4.600) 19.424 6.018 ( 13.898 -8.787 4.241) 16.981 6.167 ( -3.001 -1.402 -15.461) 15.811 6.695 ( -5.939 7.802 -4.932) 10.976 6.997 ( 0.553 6.543 -4.580) 8.006 7.750 ( 2.092 -12.261 6.941) 14.244 8.001 ( 6.240 -15.708 6.286) 18.033 8.574 ( -11.827 -21.644 5.960) 25.375 9.398 ( -6.930 -11.407 -24.649) 28.031 9.632 ( -10.990 -5.120 -0.357) 12.130 10.138 ( 0.852 -11.454 -4.498) 12.335 10.341 ( -1.455 -14.979 1.570) 15.131 10.621 ( 6.193 -9.239 -7.943) 13.667 10.794 ( -14.843 -11.320 8.707) 20.598 11.248 ( -4.180 -16.790 0.024) 17.303 12.358 ( -2.140 17.358 -1.073) 17.522 12.562 ( 12.071 4.684 10.616) 16.744 13.026 ( -9.007 9.697 2.052) 13.393 14.014 ( 6.172 3.315 -10.304) 12.460 14.066 ( -0.593 3.513 -4.588) 5.809 14.309 ( -2.445 -3.459 6.939) 8.129 14.824 ( -3.163 11.064 -4.898) 12.506 15.226 ( 4.132 12.658 1.399) 13.389 15.798 ( 15.454 15.581 10.708) 24.419 18.123 ( -21.016 -36.492 6.541) 42.616 19.061 ( -0.765 -15.945 -16.331) 22.836 21.125 ( 0.855 -9.610 2.267) 9.911 23.338 ( -9.065 -19.521 -12.552) 24.916 23.583 ( -6.574 -7.029 -0.424) 9.634 26.462 ( 13.652 21.570 6.316) 26.297 27.349 ( -2.159 -5.303 -8.988) 10.657 28.152 ( 3.894 2.456 15.714) 16.374 ======================= Grid point 35 (26/429) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.385 ( 26.542 -11.490 19.099) 34.659 3.636 ( 19.122 -25.494 4.984) 32.256 4.908 ( -2.859 -6.698 7.287) 10.302 5.258 ( -3.256 -4.636 2.705) 6.278 5.496 ( 1.721 -8.454 -3.425) 9.283 6.159 ( -12.179 -4.686 -19.181) 23.199 6.309 ( 10.469 -10.974 15.302) 21.545 6.497 ( -9.054 2.665 -4.092) 10.287 6.973 ( 8.599 -1.074 -5.448) 10.236 7.954 ( 1.911 -5.629 4.111) 7.228 8.470 ( 7.589 -27.449 10.063) 30.204 8.927 ( -18.946 -23.820 -6.367) 31.095 9.509 ( -3.957 -9.522 -18.321) 21.023 9.740 ( -2.206 -10.556 3.772) 11.425 10.303 ( 3.916 -6.129 -9.000) 11.571 10.592 ( -3.900 -10.019 11.999) 16.111 10.817 ( -0.471 -14.290 -9.864) 17.370 11.084 ( -3.547 -19.552 3.868) 20.244 11.559 ( -1.405 -17.021 0.800) 17.098 12.022 ( -0.229 14.458 -0.699) 14.477 12.593 ( 6.650 3.115 13.113) 15.029 12.821 ( -3.744 6.585 -1.353) 7.695 13.714 ( 5.547 26.289 -5.047) 27.338 13.949 ( 5.285 9.201 -3.950) 11.322 14.353 ( -8.412 -0.967 -3.979) 9.356 14.751 ( -2.837 -1.990 4.551) 5.720 15.117 ( -0.072 -3.645 0.749) 3.722 15.760 ( 10.659 0.059 5.691) 12.083 18.620 ( -19.030 -27.646 3.015) 33.698 19.266 ( -2.814 -9.732 -8.166) 13.012 21.301 ( 6.340 -5.571 1.135) 8.516 23.421 ( -1.553 0.240 -3.795) 4.107 23.795 ( -8.707 -15.832 -4.315) 18.576 26.158 ( 11.940 19.934 6.946) 24.252 27.425 ( -1.420 -5.274 -6.647) 8.603 28.151 ( 4.257 2.788 8.537) 9.939 ======================= Grid point 36 (27/429) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.716 ( 21.985 -4.873 18.042) 28.855 4.154 ( 14.094 -18.127 2.065) 23.054 5.041 ( -2.943 -7.715 5.748) 10.061 5.199 ( -1.892 7.651 4.285) 8.971 5.501 ( -2.039 3.619 -9.709) 10.560 6.065 ( -27.057 -2.933 -20.545) 34.100 6.496 ( -2.130 -5.505 11.264) 12.717 6.560 ( 2.707 -7.214 3.854) 8.615 7.099 ( 18.233 -2.927 -0.881) 18.487 8.022 ( -2.170 -1.630 3.712) 4.599 9.038 ( -1.341 -24.291 2.622) 24.469 9.201 ( -14.055 -20.729 -19.215) 31.566 9.717 ( -0.231 -14.523 -1.691) 14.623 9.960 ( 6.788 -9.567 11.220) 16.233 10.397 ( 3.820 -3.612 -12.222) 13.305 10.758 ( -2.408 -8.628 10.747) 13.991 11.085 ( -1.650 -15.349 -6.341) 16.689 11.358 ( -0.838 -6.727 1.360) 6.914 11.835 ( 0.465 2.003 -1.574) 2.589 11.892 ( -2.313 -16.699 3.726) 17.265 12.504 ( 1.182 8.935 8.212) 12.193 12.791 ( 1.921 -2.229 -0.876) 3.070 13.219 ( 4.079 26.358 -3.022) 26.843 13.725 ( 6.323 18.194 -2.799) 19.464 14.299 ( -9.814 -2.867 -4.405) 11.133 14.777 ( -0.704 -0.566 4.973) 5.054 15.339 ( -1.381 -16.556 0.368) 16.618 15.879 ( 5.813 -5.141 2.699) 8.216 18.967 ( -14.773 -19.737 0.124) 24.653 19.389 ( -1.613 -6.394 -2.568) 7.077 21.391 ( 6.507 0.378 0.375) 6.528 23.387 ( -0.695 1.569 -1.774) 2.468 23.995 ( -5.096 -10.438 -2.994) 11.995 25.875 ( 8.900 17.794 5.345) 20.601 27.501 ( -1.079 -4.573 -3.970) 6.151 28.124 ( 3.485 3.807 4.443) 6.810 ======================= Grid point 37 (28/429) ======================= q-point: ( 0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.888 ( 18.123 2.709 14.517) 23.378 4.479 ( 7.299 -8.668 -0.511) 11.344 5.016 ( -2.691 7.850 1.597) 8.451 5.171 ( -0.179 -2.179 2.467) 3.296 5.385 ( -5.586 1.495 -5.302) 7.845 5.943 ( -25.209 -5.423 -18.677) 31.839 6.568 ( -1.959 -2.009 8.989) 9.417 6.729 ( 2.276 -6.962 2.806) 7.844 7.253 ( 20.642 -1.253 2.698) 20.855 8.018 ( -6.101 -0.042 2.814) 6.719 9.306 ( -6.537 -13.200 -13.238) 19.804 9.514 ( -6.628 -16.532 -7.929) 19.496 9.918 ( -6.988 -6.560 1.465) 9.695 10.213 ( 13.611 -4.461 15.417) 21.044 10.489 ( 6.688 -8.109 -5.880) 12.044 10.910 ( 1.647 -3.347 6.567) 7.552 11.272 ( -3.689 1.435 -4.638) 6.097 11.382 ( -0.356 -8.003 -1.423) 8.137 11.826 ( -1.967 -2.245 0.534) 3.032 12.253 ( -1.156 -15.993 5.888) 17.082 12.394 ( 2.566 1.087 -0.464) 2.825 12.794 ( 3.594 19.475 -0.319) 19.806 12.850 ( -1.190 -2.669 -1.330) 3.210 13.343 ( 3.576 23.841 -1.450) 24.151 14.352 ( -7.358 -7.833 -3.195) 11.211 14.782 ( 0.871 0.987 3.179) 3.441 15.635 ( -1.494 -14.265 -0.036) 14.343 15.982 ( 3.274 -1.540 1.160) 3.800 19.207 ( -8.420 -13.441 -1.081) 15.897 19.496 ( 0.211 -5.796 0.217) 5.804 21.368 ( 3.548 4.987 -0.027) 6.120 23.359 ( -0.112 0.799 -0.618) 1.016 24.133 ( -1.737 -7.324 -1.425) 7.661 25.611 ( 4.287 14.986 2.725) 15.824 27.568 ( -0.799 -3.649 -1.835) 4.162 28.066 ( 1.986 4.651 1.945) 5.419 ======================= Grid point 38 (29/429) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( 12.930 11.700 7.032) 18.802 4.498 ( 0.729 9.239 -0.314) 9.273 4.914 ( -7.329 3.269 -4.289) 9.100 5.104 ( -0.118 0.900 -0.217) 0.934 5.454 ( -0.371 -7.258 2.162) 7.582 5.918 ( -17.613 -7.829 -12.857) 23.169 6.588 ( -0.974 0.617 5.011) 5.141 6.838 ( 2.788 -2.663 2.631) 4.668 7.401 ( 20.528 -0.795 3.965) 20.923 7.969 ( -8.571 0.998 1.272) 8.722 9.450 ( -3.867 -5.700 -13.511) 15.165 9.702 ( -4.654 -8.877 -1.161) 10.090 9.873 ( -5.924 6.298 2.338) 8.957 10.263 ( 6.540 4.443 4.056) 8.886 10.748 ( 11.459 -7.814 4.471) 14.572 10.803 ( 0.640 14.393 5.882) 15.562 11.234 ( -5.877 -5.233 -4.182) 8.911 11.560 ( 3.782 -5.853 0.975) 7.037 11.842 ( -3.349 -0.092 -2.953) 4.466 12.330 ( 4.062 -0.826 0.593) 4.188 12.500 ( -1.160 7.696 0.827) 7.827 12.647 ( 2.155 -8.083 -0.768) 8.400 12.855 ( -0.646 10.422 -1.434) 10.540 12.969 ( -2.294 1.669 1.429) 3.177 14.452 ( -4.887 -6.231 -2.023) 8.173 14.756 ( 1.296 2.888 1.714) 3.599 15.824 ( -0.950 -5.952 -0.633) 6.061 15.954 ( 2.193 6.665 0.448) 7.031 19.384 ( -2.490 -8.786 -0.408) 9.141 19.602 ( 2.512 -4.107 0.369) 4.828 21.263 ( -0.423 6.463 -0.085) 6.477 23.359 ( 0.265 -0.880 0.274) 0.959 24.266 ( 1.857 -7.417 0.350) 7.654 25.372 ( -1.390 11.461 -0.411) 11.552 27.622 ( -0.254 -2.507 0.038) 2.520 27.987 ( 0.185 4.345 -0.015) 4.349 ======================= Grid point 39 (30/429) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.616 ( 5.178 20.960 0.232) 21.591 4.212 ( 0.480 20.550 0.074) 20.556 4.737 ( -11.566 4.768 -4.198) 13.196 5.232 ( 4.877 -9.201 0.339) 10.419 5.578 ( 0.765 -4.617 1.441) 4.896 5.937 ( -11.419 -3.469 -5.872) 13.300 6.540 ( -0.419 5.125 1.169) 5.273 6.885 ( 2.831 -0.302 2.276) 3.645 7.525 ( 19.243 1.214 5.140) 19.954 7.890 ( -10.159 1.467 -0.639) 10.285 9.253 ( -6.081 22.678 -7.408) 24.620 9.762 ( 1.892 1.552 -1.812) 3.045 9.805 ( -3.991 -2.346 1.502) 4.867 10.214 ( 6.333 4.157 2.379) 7.940 10.510 ( -3.905 13.892 5.684) 15.510 10.851 ( 7.738 3.849 1.651) 8.799 11.308 ( -3.050 -2.661 -0.540) 4.083 11.619 ( 5.125 2.409 6.328) 8.492 11.772 ( -2.767 3.629 -7.281) 8.593 12.324 ( 3.604 7.235 -4.982) 9.495 12.375 ( 0.611 18.855 -2.308) 19.005 12.542 ( -1.929 -12.016 2.603) 12.445 12.839 ( -3.636 -5.293 1.703) 6.644 13.211 ( -1.130 -18.657 1.019) 18.719 14.519 ( -2.962 -4.092 -0.562) 5.083 14.706 ( 1.278 2.939 0.311) 3.220 15.755 ( 1.977 14.926 -0.290) 15.059 15.836 ( -0.946 4.440 -0.590) 4.578 19.484 ( -0.121 -1.494 0.064) 1.501 19.675 ( 5.397 -1.047 0.200) 5.501 21.143 ( -3.155 4.515 0.065) 5.509 23.396 ( 0.423 -2.625 0.741) 2.760 24.450 ( 7.256 -9.072 3.208) 12.052 25.161 ( -8.195 7.449 -4.076) 11.801 27.659 ( 0.757 -1.042 2.151) 2.507 27.910 ( -1.496 3.159 -2.173) 4.115 ======================= Grid point 40 (31/429) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( -0.141 27.836 -1.927) 27.903 3.737 ( -1.038 29.327 -0.067) 29.345 4.632 ( -4.785 1.147 -2.239) 5.406 5.449 ( 5.006 -9.632 1.283) 10.931 5.618 ( 0.064 1.496 -1.297) 1.981 5.852 ( -7.373 6.617 -1.090) 9.967 6.379 ( -0.458 11.534 -0.045) 11.543 6.888 ( 1.332 1.832 1.145) 2.538 7.597 ( 15.361 2.815 5.943) 16.710 7.804 ( -10.040 0.855 -2.484) 10.378 8.630 ( -3.142 36.283 -4.159) 36.655 9.610 ( 0.406 16.078 -1.395) 16.143 9.832 ( -1.437 -2.192 0.577) 2.683 10.210 ( 5.532 1.231 1.691) 5.914 10.267 ( -2.913 11.032 3.588) 11.961 10.784 ( 2.453 5.719 0.108) 6.224 11.216 ( 0.089 10.841 1.563) 10.953 11.552 ( 2.381 8.327 1.180) 8.741 11.724 ( -1.513 -2.495 -1.079) 3.111 11.927 ( 0.490 21.451 -0.540) 21.463 12.271 ( -1.651 4.124 -4.627) 6.414 12.880 ( 7.095 -20.325 -4.480) 21.989 12.985 ( -7.937 -14.181 5.993) 17.321 13.545 ( -0.935 -16.293 0.487) 16.327 14.593 ( -1.327 -5.548 0.700) 5.747 14.683 ( 1.077 -0.095 -0.653) 1.263 15.429 ( 0.933 19.424 -0.202) 19.447 15.661 ( -0.673 12.854 -0.757) 12.894 19.406 ( 1.305 10.419 -0.838) 10.534 19.687 ( 3.408 3.507 1.202) 5.035 21.077 ( -2.380 0.499 0.064) 2.432 23.459 ( 0.358 -3.509 0.624) 3.582 24.692 ( 19.312 -5.026 9.905) 22.278 24.991 ( -20.171 -1.381 -10.567) 22.813 27.680 ( 1.712 0.139 4.130) 4.473 27.840 ( -2.330 2.457 -4.225) 5.414 ======================= Grid point 41 (32/429) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( -0.000 31.906 0.000) 31.906 3.104 ( -0.000 37.215 0.000) 37.215 4.587 ( -0.000 4.009 0.000) 4.009 5.444 ( -0.000 21.344 0.000) 21.344 5.576 ( -0.000 15.444 0.000) 15.444 5.617 ( 0.000 -2.998 -0.000) 2.998 6.189 ( -0.000 5.204 0.000) 5.204 6.830 ( -0.000 4.696 0.000) 4.696 7.622 ( -0.000 1.023 0.000) 1.023 7.708 ( -0.000 8.611 0.000) 8.611 7.962 ( -0.000 26.152 0.000) 26.152 9.206 ( -0.000 25.832 0.000) 25.832 9.851 ( -0.000 0.191 0.000) 0.191 10.063 ( -0.000 9.745 0.000) 9.745 10.182 ( -0.000 5.190 0.000) 5.190 10.640 ( -0.000 10.625 0.000) 10.625 10.967 ( -0.000 13.950 0.000) 13.950 11.356 ( -0.000 12.457 0.000) 12.457 11.589 ( -0.000 13.824 0.000) 13.824 11.886 ( 0.000 -15.143 -0.000) 15.143 12.181 ( -0.000 3.263 0.000) 3.263 13.191 ( 0.000 -13.574 -0.000) 13.574 13.407 ( 0.000 -27.062 -0.000) 27.062 13.809 ( 0.000 -12.251 -0.000) 12.251 14.679 ( -0.000 4.624 0.000) 4.624 14.726 ( 0.000 -9.103 -0.000) 9.103 15.114 ( -0.000 9.614 0.000) 9.614 15.378 ( -0.000 15.454 0.000) 15.454 19.091 ( -0.000 23.468 0.000) 23.468 19.565 ( -0.000 10.689 0.000) 10.689 21.091 ( 0.000 -2.281 -0.000) 2.281 23.527 ( 0.000 -3.356 -0.000) 3.356 24.683 ( -0.000 10.615 0.000) 10.615 25.142 ( 0.000 -19.155 -0.000) 19.155 27.687 ( -0.000 0.441 0.000) 0.441 27.775 ( -0.000 2.825 0.000) 2.825 ======================= Grid point 46 (33/429) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 29.225 0.000 6.349) 29.906 1.558 ( 34.659 0.000 34.730) 49.065 2.926 ( 70.616 0.000 21.629) 73.854 3.622 ( 1.654 0.000 -2.057) 2.639 4.834 ( -9.769 -0.000 9.616) 13.708 5.764 ( 30.323 0.000 -8.274) 31.431 6.125 ( -8.552 -0.000 -6.674) 10.848 6.564 ( 1.568 0.000 -11.969) 12.072 7.097 ( 9.574 0.000 11.137) 14.687 7.802 ( -1.810 -0.000 2.270) 2.903 7.978 ( 0.135 0.000 -3.625) 3.627 8.074 ( -0.577 -0.000 4.197) 4.237 8.833 ( -2.033 -0.000 7.338) 7.614 9.033 ( -5.655 -0.000 -5.088) 7.607 9.826 ( -4.148 -0.000 3.224) 5.253 9.993 ( -18.802 -0.000 -18.799) 26.588 10.159 ( 2.136 0.000 1.737) 2.753 10.786 ( -11.046 -0.000 -11.988) 16.301 11.052 ( -35.727 -0.000 19.408) 40.658 12.586 ( 3.529 0.000 18.978) 19.303 13.268 ( 14.343 0.000 -19.608) 24.295 13.445 ( -15.881 -0.000 1.531) 15.955 13.736 ( 0.845 0.000 0.199) 0.868 14.144 ( 6.652 0.000 -5.346) 8.534 14.550 ( -0.570 -0.000 5.495) 5.525 14.845 ( -0.731 -0.000 -0.053) 0.733 15.748 ( 0.859 0.000 -7.611) 7.659 16.660 ( 11.774 0.000 8.527) 14.537 16.755 ( -0.037 -0.000 -0.031) 0.048 19.123 ( 18.462 0.000 -31.428) 36.449 20.084 ( 0.040 0.000 -0.041) 0.058 21.219 ( -0.005 -0.000 -0.054) 0.054 23.583 ( -2.941 -0.000 -0.675) 3.018 27.072 ( 8.986 0.000 -35.563) 36.681 27.466 ( -4.023 -0.000 -0.648) 4.075 28.271 ( -15.063 -0.000 66.929) 68.603 ======================= Grid point 47 (34/429) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 23.467 -37.913 8.187) 45.333 1.972 ( 34.155 -16.391 26.617) 46.300 3.424 ( 49.356 -14.094 17.837) 54.339 4.022 ( 10.228 -31.700 -0.617) 33.315 4.802 ( -11.003 -1.595 9.825) 14.837 5.789 ( 20.779 4.262 -7.689) 22.562 6.234 ( 0.519 -4.630 -6.379) 7.899 6.609 ( 1.603 -7.641 -13.686) 15.756 7.251 ( 6.150 -8.746 10.065) 14.684 7.694 ( -0.390 21.423 -3.076) 21.646 7.764 ( -1.332 3.183 2.540) 4.285 8.126 ( -2.424 -4.494 9.019) 10.364 8.973 ( -0.774 -11.628 -12.157) 16.840 9.173 ( -9.101 -15.840 4.305) 18.769 9.809 ( -16.052 -3.297 -4.534) 17.003 9.940 ( -1.758 -5.600 -8.898) 10.659 10.232 ( 2.156 -6.180 0.084) 6.546 10.748 ( -10.181 -6.100 -8.883) 14.824 10.839 ( -28.144 4.137 14.002) 31.706 12.581 ( -0.228 3.245 15.568) 15.904 13.152 ( 8.387 14.440 -14.776) 22.297 13.330 ( -8.391 5.038 3.854) 10.519 13.731 ( -0.031 -2.052 -0.873) 2.230 14.181 ( 7.321 -0.518 -5.234) 9.015 14.316 ( 0.888 8.133 -1.147) 8.261 15.248 ( -1.499 -12.110 6.620) 13.883 15.621 ( 2.359 6.979 -9.913) 12.351 16.702 ( 6.866 0.845 5.492) 8.833 16.871 ( -5.034 -4.466 13.389) 14.985 18.659 ( 21.193 17.176 -27.150) 38.488 20.600 ( -15.615 -22.765 1.839) 27.667 21.752 ( -2.418 -51.230 -11.438) 52.547 23.562 ( -2.880 0.324 -0.669) 2.974 27.059 ( 8.991 1.763 -27.753) 29.227 27.326 ( -5.188 9.441 8.004) 13.420 28.269 ( -5.234 3.446 41.796) 42.263 ======================= Grid point 48 (35/429) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( 29.402 -25.826 18.211) 43.163 2.720 ( 29.304 -28.915 12.384) 42.990 4.148 ( 20.353 -35.488 10.024) 42.121 4.636 ( 5.393 -19.959 -1.489) 20.728 4.861 ( -2.689 -12.619 11.370) 17.197 5.901 ( 10.908 -6.568 -6.331) 14.220 6.210 ( 4.543 4.419 -7.364) 9.716 6.733 ( 0.137 -3.251 -9.753) 10.282 7.241 ( -2.003 19.634 -2.598) 19.906 7.530 ( 3.692 -12.830 6.625) 14.904 7.807 ( 3.804 -7.615 4.197) 9.491 8.240 ( -8.780 -9.198 8.446) 15.266 9.114 ( -6.002 -9.621 -19.649) 22.686 9.421 ( -9.783 -11.557 -0.615) 15.154 9.858 ( -7.181 -12.985 -0.932) 14.867 10.091 ( 0.890 -10.767 -4.737) 11.796 10.415 ( 0.209 -12.240 0.143) 12.242 10.664 ( -14.062 2.236 4.434) 14.913 10.893 ( -9.105 -15.930 -1.371) 18.400 12.520 ( -8.036 4.790 7.695) 12.113 12.875 ( 11.308 16.264 -1.409) 19.859 13.167 ( -3.606 8.944 2.109) 9.872 13.835 ( -2.545 -9.357 -4.754) 10.800 14.184 ( 6.766 4.233 -4.914) 9.372 14.277 ( 0.886 -2.333 1.097) 2.726 15.101 ( -3.281 17.256 -2.112) 17.692 15.529 ( 8.372 11.552 -1.481) 14.343 16.378 ( 12.221 30.369 14.598) 35.844 17.283 ( -18.417 -37.479 5.107) 42.070 18.733 ( 7.746 -13.495 -21.912) 26.875 20.871 ( -6.821 -16.059 3.772) 17.851 22.625 ( -8.103 -42.946 -12.275) 45.395 23.536 ( -2.870 0.417 -0.555) 2.953 26.905 ( 8.582 16.420 -5.260) 19.259 27.237 ( -2.996 -2.515 -2.954) 4.901 28.255 ( 0.829 3.036 22.377) 22.598 ======================= Grid point 49 (36/429) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( 25.547 -26.329 12.030) 38.608 3.351 ( 32.549 -16.458 15.524) 39.639 4.729 ( -10.174 -11.513 6.705) 16.763 4.940 ( -1.213 -24.940 0.160) 24.970 5.269 ( 9.832 -17.169 4.716) 20.339 5.996 ( -11.315 -1.596 -16.084) 19.729 6.247 ( 16.574 -5.517 7.302) 18.933 6.607 ( -4.564 11.508 -4.419) 13.145 7.008 ( 4.236 3.341 -7.893) 9.560 7.821 ( 4.746 -11.828 7.005) 14.543 8.099 ( 6.467 -18.334 6.578) 20.523 8.411 ( -17.885 -16.634 0.915) 24.442 9.236 ( -5.191 -11.371 -21.175) 24.589 9.529 ( -6.439 -9.225 0.547) 11.263 10.138 ( 1.876 -13.537 -1.568) 13.756 10.329 ( -2.390 -15.037 3.160) 15.550 10.615 ( -7.675 -4.234 -4.462) 9.836 10.698 ( -1.376 -18.266 2.102) 18.438 11.207 ( -2.577 -19.457 0.841) 19.645 12.285 ( -8.918 13.474 -1.123) 16.197 12.747 ( 12.313 6.747 10.115) 17.304 12.969 ( -1.875 10.292 0.404) 10.470 13.949 ( -4.987 -2.683 -7.631) 9.502 14.138 ( 9.920 5.434 -6.341) 12.967 14.307 ( -2.104 1.494 6.600) 7.087 14.766 ( -3.831 10.175 -3.830) 11.527 15.268 ( 2.190 16.029 1.444) 16.242 16.007 ( 13.334 17.489 9.284) 23.871 17.900 ( -19.321 -36.672 2.768) 41.543 19.003 ( -0.101 -14.465 -11.957) 18.768 21.152 ( 1.987 -13.533 2.356) 13.879 23.212 ( -5.449 -25.096 -8.508) 27.053 23.525 ( -3.825 -2.713 -0.229) 4.695 26.606 ( 8.076 19.387 3.464) 21.285 27.300 ( -1.207 -5.507 -6.273) 8.434 28.244 ( 2.870 2.824 11.805) 12.472 ======================= Grid point 50 (37/429) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( 30.652 -7.770 18.646) 36.709 3.892 ( 20.819 -21.043 5.769) 30.158 4.847 ( -11.800 -9.421 5.338) 16.016 5.238 ( -2.003 -6.534 2.954) 7.445 5.500 ( 1.307 -2.935 -4.343) 5.402 5.839 ( -25.309 1.629 -20.339) 32.510 6.435 ( 1.878 1.425 2.077) 3.142 6.484 ( 4.220 -6.009 10.151) 12.529 7.100 ( 16.404 -7.005 -4.952) 18.512 7.978 ( -1.274 -3.038 4.992) 5.981 8.579 ( 4.867 -25.411 8.411) 27.206 8.659 ( -18.548 -21.784 -12.941) 31.401 9.421 ( -2.179 -14.336 -11.798) 18.693 9.763 ( 3.447 -15.378 5.076) 16.556 10.319 ( 4.693 -5.501 -7.612) 10.499 10.566 ( -8.835 -10.425 13.027) 18.879 10.754 ( -3.358 -15.415 -10.764) 19.099 11.088 ( 1.328 -20.755 2.648) 20.966 11.547 ( -0.955 -16.815 1.026) 16.874 11.999 ( -2.987 11.458 -0.636) 11.858 12.706 ( 3.243 8.502 12.360) 15.349 12.804 ( 3.240 3.823 -4.114) 6.483 13.748 ( 3.594 23.772 -3.527) 24.300 13.978 ( 0.819 8.041 -3.291) 8.727 14.263 ( -3.463 3.395 -4.155) 6.386 14.730 ( -3.654 -3.804 4.679) 7.051 15.118 ( -0.306 -2.748 0.506) 2.811 15.896 ( 8.911 3.569 4.490) 10.598 18.420 ( -15.591 -28.845 0.696) 32.796 19.215 ( -1.785 -10.350 -5.060) 11.658 21.374 ( 5.185 -6.716 1.103) 8.556 23.394 ( -0.915 -0.875 -2.786) 3.061 23.703 ( -5.084 -16.294 -2.468) 17.246 26.291 ( 7.352 19.484 4.364) 21.277 27.391 ( -0.803 -5.576 -4.481) 7.199 28.222 ( 3.074 3.331 5.973) 7.498 ======================= Grid point 51 (38/429) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.075 ( 26.128 -0.321 19.902) 32.846 4.326 ( 13.963 -13.318 0.570) 19.305 4.982 ( -8.806 -9.765 3.071) 13.503 5.223 ( 2.286 7.143 5.098) 9.068 5.423 ( -7.000 6.108 -7.756) 12.102 5.653 ( -27.058 -4.629 -20.740) 34.406 6.505 ( -0.539 -4.598 4.126) 6.201 6.613 ( 1.892 -6.458 6.006) 9.020 7.328 ( 19.496 -4.194 0.915) 19.963 7.983 ( -7.174 -0.103 3.733) 8.088 8.943 ( -7.141 -19.076 -14.953) 25.268 9.075 ( -4.015 -24.018 0.931) 24.369 9.675 ( -4.150 -13.987 -3.147) 14.925 10.133 ( 13.692 -15.650 12.122) 24.069 10.406 ( 4.264 -3.295 -8.409) 9.988 10.728 ( -8.204 -11.440 5.424) 15.087 11.040 ( -2.214 -16.761 -4.276) 17.439 11.370 ( 1.739 -4.095 1.081) 4.579 11.832 ( 0.547 0.918 -2.492) 2.712 11.876 ( -2.811 -16.306 3.739) 16.964 12.545 ( 1.265 9.289 5.441) 10.840 12.808 ( 1.722 -0.793 -1.674) 2.529 13.257 ( 3.717 26.773 -0.891) 27.044 13.777 ( 3.856 17.577 -2.198) 18.129 14.178 ( -7.665 -2.854 -3.223) 8.791 14.780 ( -1.293 -1.965 3.624) 4.320 15.328 ( -0.740 -16.068 0.144) 16.086 15.948 ( 4.353 -3.003 1.846) 5.601 18.818 ( -10.158 -21.641 -0.478) 23.911 19.367 ( -0.970 -7.665 -1.324) 7.839 21.457 ( 4.286 1.016 0.351) 4.419 23.375 ( -0.422 1.136 -1.080) 1.623 23.942 ( -2.528 -11.558 -1.702) 11.953 25.973 ( 5.171 18.870 3.193) 19.824 27.479 ( -0.629 -4.822 -2.425) 5.434 28.172 ( 2.276 4.527 2.769) 5.774 ======================= Grid point 52 (39/429) ======================= q-point: ( 0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.168 ( 18.261 8.230 14.118) 24.505 4.556 ( 6.610 -4.338 -0.815) 7.949 4.967 ( -6.264 6.966 -3.927) 10.158 5.173 ( -0.544 3.919 1.898) 4.388 5.295 ( -7.175 -5.883 -0.560) 9.295 5.627 ( -15.745 -8.926 -13.619) 22.651 6.572 ( -1.190 -2.438 3.683) 4.575 6.768 ( 2.073 -6.491 2.737) 7.343 7.489 ( 17.191 -1.972 1.942) 17.413 7.932 ( -9.693 0.604 1.995) 9.914 9.221 ( -0.160 -14.347 -10.953) 18.051 9.423 ( -5.972 -16.682 -0.612) 17.730 9.831 ( -6.509 -5.694 -0.568) 8.667 10.373 ( 6.565 1.450 3.878) 7.761 10.608 ( 13.147 -14.660 5.523) 20.451 10.907 ( -5.157 -9.123 0.950) 10.523 11.213 ( -2.885 6.998 -3.401) 8.298 11.379 ( 0.340 -10.037 -0.940) 10.087 11.807 ( -1.264 -0.690 0.039) 1.440 12.264 ( -0.239 -20.000 3.538) 20.312 12.420 ( 1.922 4.381 -0.214) 4.788 12.781 ( -2.171 11.336 -2.378) 11.785 12.877 ( 3.269 6.833 1.231) 7.674 13.370 ( 1.830 25.272 -0.808) 25.351 14.269 ( -4.824 -9.084 -1.863) 10.453 14.797 ( 0.211 0.438 1.773) 1.839 15.622 ( -0.682 -14.123 -0.059) 14.140 16.017 ( 1.943 -0.842 0.629) 2.209 19.126 ( -4.623 -15.972 -0.622) 16.639 19.499 ( 0.136 -6.878 0.114) 6.880 21.399 ( 1.844 6.490 -0.004) 6.747 23.356 ( -0.024 0.449 -0.277) 0.528 24.116 ( -0.552 -8.695 -0.684) 8.740 25.656 ( 2.051 17.264 1.373) 17.440 27.555 ( -0.436 -3.941 -0.937) 4.074 28.089 ( 1.079 5.525 1.005) 5.719 ======================= Grid point 53 (40/429) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.019 ( 7.013 17.018 4.031) 18.842 4.531 ( 4.466 10.612 0.739) 11.537 4.774 ( -10.087 6.713 -4.023) 12.767 5.125 ( 1.745 -2.894 0.608) 3.434 5.456 ( -0.299 -8.758 1.038) 8.824 5.733 ( -6.999 -10.181 -5.208) 13.408 6.592 ( -0.367 0.642 1.390) 1.574 6.871 ( 1.256 -3.007 1.266) 3.496 7.624 ( 14.350 -2.089 1.906) 14.626 7.855 ( -10.290 1.728 0.219) 10.436 9.388 ( -0.619 -3.206 -5.687) 6.558 9.663 ( -1.893 -10.984 0.679) 11.167 9.816 ( -3.392 3.092 0.179) 4.594 10.325 ( 2.626 5.194 0.511) 5.843 10.804 ( -0.235 14.708 1.776) 14.816 10.932 ( 11.651 -2.315 7.788) 14.205 11.124 ( -8.750 -9.219 -6.240) 14.159 11.603 ( 2.206 -9.249 0.826) 9.545 11.797 ( -2.134 1.958 -1.661) 3.339 12.376 ( 2.748 -1.620 0.148) 3.194 12.489 ( -0.998 11.015 0.643) 11.078 12.651 ( -0.401 -14.016 -0.551) 14.033 12.868 ( 2.810 21.391 -1.018) 21.599 12.939 ( -3.100 -3.322 1.069) 4.668 14.403 ( -2.049 -6.848 -0.784) 7.190 14.771 ( 0.414 2.715 0.637) 2.820 15.815 ( -0.298 -5.996 -0.240) 6.008 15.973 ( 0.842 6.832 0.159) 6.886 19.362 ( -0.928 -10.431 -0.154) 10.473 19.624 ( 0.939 -5.668 0.137) 5.747 21.259 ( -0.188 8.104 -0.038) 8.107 23.362 ( 0.115 -1.112 0.120) 1.125 24.285 ( 0.850 -9.663 0.163) 9.702 25.358 ( -0.641 14.698 -0.189) 14.713 27.619 ( -0.112 -3.086 0.017) 3.088 27.988 ( 0.082 5.377 -0.006) 5.378 ======================= Grid point 54 (41/429) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.651 ( -0.000 23.590 0.000) 23.590 4.224 ( -0.000 22.128 0.000) 22.128 4.649 ( -0.000 3.025 0.000) 3.025 5.266 ( 0.000 -9.762 -0.000) 9.762 5.585 ( 0.000 -4.607 -0.000) 4.607 5.854 ( 0.000 -3.909 -0.000) 3.909 6.539 ( -0.000 5.288 0.000) 5.288 6.907 ( 0.000 -0.397 -0.000) 0.397 7.732 ( 0.000 -2.284 -0.000) 2.284 7.745 ( -0.000 4.512 0.000) 4.512 9.202 ( -0.000 22.724 0.000) 22.724 9.771 ( -0.000 0.544 0.000) 0.544 9.780 ( 0.000 -1.614 -0.000) 1.614 10.257 ( -0.000 2.538 0.000) 2.538 10.496 ( -0.000 14.530 0.000) 14.530 10.911 ( -0.000 6.502 0.000) 6.502 11.281 ( 0.000 -5.044 -0.000) 5.044 11.693 ( -0.000 6.580 0.000) 6.580 11.711 ( 0.000 -0.917 -0.000) 0.917 12.337 ( -0.000 4.404 0.000) 4.404 12.371 ( -0.000 23.626 0.000) 23.626 12.540 ( 0.000 -11.804 -0.000) 11.804 12.818 ( 0.000 -5.826 -0.000) 5.826 13.207 ( 0.000 -18.500 -0.000) 18.500 14.499 ( 0.000 -4.474 -0.000) 4.474 14.714 ( -0.000 2.909 0.000) 2.909 15.767 ( -0.000 15.019 0.000) 15.019 15.829 ( -0.000 4.450 0.000) 4.450 19.483 ( 0.000 -1.901 -0.000) 1.901 19.707 ( 0.000 -2.270 -0.000) 2.270 21.124 ( -0.000 5.325 0.000) 5.325 23.400 ( 0.000 -2.749 -0.000) 2.749 24.506 ( 0.000 -13.428 -0.000) 13.428 25.099 ( -0.000 12.247 0.000) 12.247 27.668 ( 0.000 -1.906 -0.000) 1.906 27.896 ( -0.000 4.220 0.000) 4.220 ======================= Grid point 61 (42/429) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 24.890 0.000 5.659) 25.525 2.094 ( 36.011 0.000 29.630) 46.634 3.628 ( 0.765 0.000 -2.430) 2.548 3.783 ( 60.068 0.000 22.548) 64.161 4.736 ( -12.118 -0.000 8.855) 15.009 6.010 ( -7.134 -0.000 -5.153) 8.800 6.097 ( 31.105 0.000 -8.625) 32.279 6.525 ( 0.873 0.000 -17.172) 17.195 7.247 ( 9.126 0.000 10.543) 13.944 7.785 ( -2.543 -0.000 2.032) 3.255 7.966 ( 0.256 0.000 -3.925) 3.934 8.057 ( -4.944 -0.000 3.864) 6.274 8.837 ( -1.669 -0.000 4.771) 5.054 8.945 ( -5.823 -0.000 -5.260) 7.847 9.670 ( -15.755 -0.000 -6.761) 17.145 9.868 ( 0.659 0.000 -4.371) 4.420 10.190 ( 1.937 0.000 1.568) 2.492 10.553 ( -25.735 -0.000 1.422) 25.774 10.769 ( -18.215 -0.000 1.121) 18.249 12.602 ( -10.968 -0.000 11.460) 15.863 13.292 ( -1.580 -0.000 -2.070) 2.604 13.373 ( 4.487 0.000 -6.148) 7.612 13.752 ( 1.485 0.000 0.608) 1.605 14.205 ( 7.566 0.000 -7.326) 10.532 14.557 ( -0.884 -0.000 3.378) 3.492 14.836 ( -0.731 -0.000 -0.053) 0.733 15.722 ( -0.311 -0.000 -7.288) 7.295 16.754 ( -0.038 -0.000 -0.031) 0.049 16.841 ( 13.259 0.000 8.236) 15.609 19.219 ( 14.264 0.000 -20.247) 24.767 20.084 ( 0.040 0.000 -0.041) 0.058 21.219 ( -0.004 -0.000 -0.054) 0.054 23.547 ( -2.668 -0.000 -0.692) 2.756 27.049 ( 5.259 0.000 -20.584) 21.245 27.409 ( -4.995 -0.000 -0.626) 5.034 28.343 ( -7.380 -0.000 40.415) 41.084 ======================= Grid point 62 (43/429) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 19.949 -38.804 6.403) 44.099 2.472 ( 34.977 -12.876 22.519) 43.547 3.811 ( 9.749 -17.303 4.390) 20.340 4.313 ( 27.919 -17.439 12.817) 35.326 4.722 ( -2.439 -3.574 9.492) 10.431 5.915 ( 4.948 2.247 -6.336) 8.347 6.296 ( 12.811 0.381 -6.387) 14.320 6.568 ( 2.369 -8.642 -17.901) 20.019 7.369 ( 6.815 -5.197 11.105) 14.028 7.667 ( -1.502 21.409 -5.862) 22.248 7.767 ( 0.059 -0.123 2.429) 2.433 8.102 ( -6.580 -3.514 7.885) 10.854 8.907 ( -2.109 -6.128 -12.529) 14.106 9.088 ( -8.352 -16.214 2.520) 18.412 9.628 ( -9.370 -5.554 -2.749) 11.234 9.929 ( 1.877 -6.143 -4.191) 7.670 10.240 ( -4.175 -4.775 3.705) 7.346 10.519 ( -21.109 -10.881 9.158) 25.453 10.663 ( -8.490 0.528 -9.614) 12.837 12.524 ( -14.940 1.700 6.731) 16.474 13.192 ( 4.179 10.440 2.709) 11.567 13.320 ( 3.751 6.594 -4.381) 8.761 13.732 ( 0.556 0.142 -0.465) 0.739 14.243 ( 6.769 -1.069 -6.195) 9.238 14.329 ( 2.132 8.947 -1.492) 9.318 15.254 ( -1.665 -13.655 7.450) 15.644 15.587 ( -1.397 2.932 -10.648) 11.132 16.776 ( 4.671 -3.665 -0.596) 5.967 16.894 ( -0.942 7.557 15.009) 16.830 18.805 ( 18.515 21.828 -20.053) 34.948 20.459 ( -10.511 -22.464 3.376) 25.030 21.712 ( 0.379 -44.234 -6.465) 44.705 23.528 ( -2.402 0.362 -0.677) 2.521 27.055 ( 4.867 -0.375 -16.862) 17.555 27.292 ( -4.355 8.010 3.803) 9.879 28.350 ( -2.961 2.324 26.898) 27.160 ======================= Grid point 63 (44/429) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 26.077 -27.668 12.834) 40.128 3.095 ( 27.698 -30.420 11.311) 42.667 4.302 ( 1.761 -25.652 5.959) 26.394 4.593 ( -11.316 -10.802 0.934) 15.672 5.030 ( 20.293 -16.158 12.666) 28.867 5.920 ( -0.074 -0.021 -10.287) 10.287 6.297 ( 9.804 1.004 -3.498) 10.458 6.692 ( 1.656 -2.502 -9.251) 9.725 7.207 ( -2.239 18.778 -3.770) 19.283 7.621 ( 6.504 -12.023 5.750) 14.830 7.871 ( 4.645 -9.848 2.772) 11.236 8.134 ( -13.173 -4.749 6.151) 15.294 8.987 ( -4.144 -7.817 -15.375) 17.739 9.303 ( -8.120 -10.891 -2.574) 13.826 9.819 ( -1.378 -17.577 4.356) 18.161 10.091 ( 1.980 -10.302 -4.654) 11.476 10.353 ( -13.638 -11.907 12.394) 21.941 10.560 ( -2.728 -0.716 -11.220) 11.569 10.810 ( -4.231 -19.968 0.829) 20.428 12.380 ( -15.496 5.196 1.660) 16.428 13.023 ( 10.001 11.600 7.750) 17.165 13.169 ( 2.819 10.285 -2.702) 11.001 13.793 ( -1.992 -6.527 -3.332) 7.594 14.230 ( 4.050 3.705 -3.959) 6.768 14.307 ( 3.546 -2.465 -0.335) 4.332 15.059 ( -2.612 19.468 -1.091) 19.673 15.595 ( 4.035 10.181 -1.710) 11.084 16.545 ( 7.223 26.299 13.181) 30.291 17.110 ( -12.585 -31.701 0.676) 34.115 18.751 ( 6.867 -7.609 -15.162) 18.302 20.823 ( -3.900 -20.871 3.477) 21.515 22.527 ( -3.158 -40.697 -7.088) 41.430 23.503 ( -2.233 0.592 -0.636) 2.396 26.959 ( 4.192 12.726 -4.699) 14.199 27.201 ( -1.801 -2.064 -1.345) 3.052 28.333 ( 0.495 2.756 14.810) 15.072 ======================= Grid point 64 (45/429) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.628 ( 26.727 -22.830 7.692) 35.982 3.778 ( 29.120 -19.445 14.965) 38.079 4.569 ( -19.535 -11.096 3.579) 22.749 4.914 ( -3.372 -22.339 -0.772) 22.606 5.386 ( 5.102 -9.909 5.079) 12.248 5.800 ( -9.229 7.064 -15.553) 19.416 6.406 ( 2.604 -5.660 3.984) 7.395 6.604 ( 7.098 11.149 1.832) 13.343 7.040 ( 7.197 -3.719 -7.885) 11.305 7.893 ( 2.979 -8.738 4.755) 10.384 8.183 ( -18.463 -12.883 -3.906) 22.850 8.198 ( 5.565 -19.510 6.376) 21.266 9.124 ( -2.724 -12.254 -13.652) 18.546 9.488 ( -1.228 -14.040 1.028) 14.131 10.175 ( 3.855 -14.843 2.505) 15.538 10.304 ( -4.464 -12.837 4.305) 14.257 10.490 ( -8.496 -6.732 -4.998) 11.937 10.690 ( -1.210 -19.087 -2.778) 19.326 11.202 ( 0.820 -20.423 1.637) 20.505 12.166 ( -9.809 8.985 -0.615) 13.316 12.911 ( 7.763 8.367 11.454) 16.170 12.971 ( 3.095 11.178 -4.458) 12.425 13.870 ( -4.176 -2.633 -4.749) 6.850 14.218 ( 7.807 2.229 -6.883) 10.643 14.310 ( -1.499 6.849 5.939) 9.189 14.711 ( -3.404 9.208 -2.318) 10.087 15.289 ( 0.561 17.946 1.121) 17.989 16.171 ( 9.195 18.576 6.617) 21.758 17.710 ( -13.496 -36.558 0.321) 38.971 18.968 ( 0.064 -13.227 -7.023) 14.976 21.184 ( 1.956 -16.162 1.789) 16.377 23.142 ( -2.489 -26.809 -4.691) 27.330 23.487 ( -2.369 -1.346 -0.360) 2.748 26.685 ( 4.090 17.447 1.640) 17.995 27.272 ( -0.548 -5.526 -3.696) 6.671 28.307 ( 1.754 2.928 7.269) 8.031 ======================= Grid point 65 (46/429) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.156 ( 21.594 -15.992 2.146) 26.956 4.223 ( 28.636 -6.727 18.487) 34.743 4.684 ( -17.355 -13.427 1.975) 22.032 5.199 ( -9.635 -11.806 1.214) 15.287 5.461 ( -10.071 0.280 -12.700) 16.211 5.526 ( -6.696 11.864 -6.713) 15.187 6.467 ( 4.286 -0.510 -1.901) 4.717 6.536 ( -1.970 -1.845 8.129) 8.565 7.298 ( 17.332 -11.085 -0.700) 20.586 7.946 ( -7.112 -0.042 3.695) 8.015 8.437 ( -9.956 -23.581 -11.008) 27.863 8.646 ( 1.892 -22.079 5.310) 22.787 9.363 ( -1.635 -15.671 -6.383) 17.000 9.848 ( 6.820 -21.307 4.081) 22.741 10.354 ( 4.601 -3.714 -4.369) 7.352 10.489 ( -10.004 -9.037 7.404) 15.381 10.678 ( -3.256 -18.277 -6.445) 19.652 11.115 ( 1.439 -22.459 1.193) 22.537 11.547 ( 0.101 -15.270 0.967) 15.301 11.958 ( -3.059 8.167 -0.473) 8.734 12.750 ( -0.069 10.927 4.863) 11.960 12.859 ( 5.485 4.446 -0.584) 7.085 13.784 ( 4.551 19.385 -1.389) 19.960 13.932 ( -6.011 9.215 -2.137) 11.208 14.245 ( 1.748 7.030 -3.081) 7.872 14.706 ( -2.702 -4.771 3.177) 6.337 15.115 ( -0.315 -2.531 0.249) 2.562 15.993 ( 5.099 5.875 2.519) 8.177 18.275 ( -8.733 -29.863 -0.150) 31.114 19.185 ( -0.894 -10.731 -2.373) 11.027 21.426 ( 2.926 -7.245 0.687) 7.844 23.379 ( -0.402 -1.389 -1.417) 2.025 23.653 ( -2.346 -16.675 -1.169) 16.879 26.366 ( 3.462 18.975 2.084) 19.401 27.372 ( -0.352 -5.702 -2.249) 6.139 28.266 ( 1.610 3.621 3.069) 5.012 ======================= Grid point 66 (47/429) ======================= q-point: ( 0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.411 ( 12.437 1.628 12.046) 17.391 4.487 ( 15.356 -6.210 1.700) 16.651 4.893 ( -5.594 -13.478 0.072) 14.593 5.182 ( -18.976 5.109 -9.460) 21.810 5.288 ( 0.676 3.723 6.205) 7.268 5.415 ( -4.224 -1.671 -10.483) 11.425 6.513 ( -0.006 -2.936 1.266) 3.197 6.644 ( 0.669 -7.598 2.289) 7.964 7.527 ( 11.627 -4.023 0.804) 12.329 7.895 ( -7.616 0.717 1.445) 7.785 8.849 ( -1.428 -23.284 -7.381) 24.468 9.044 ( -2.203 -19.660 2.033) 19.887 9.624 ( -2.092 -12.752 -1.514) 13.011 10.334 ( 11.910 -20.428 8.215) 25.032 10.422 ( 1.862 -3.420 -4.240) 5.757 10.619 ( -9.756 -11.391 -0.909) 15.026 11.010 ( -0.960 -17.775 -1.099) 17.835 11.393 ( 1.082 -2.266 0.453) 2.551 11.832 ( 0.810 2.458 -1.955) 3.243 11.858 ( -1.878 -18.849 2.344) 19.087 12.571 ( 0.580 8.823 2.007) 9.067 12.816 ( 0.588 1.766 -0.941) 2.085 13.292 ( 1.908 26.918 0.039) 26.986 13.797 ( 0.786 15.211 -0.905) 15.258 14.108 ( -2.702 -1.294 -1.211) 3.231 14.777 ( -0.612 -2.830 1.341) 3.191 15.323 ( -0.231 -15.860 0.030) 15.861 15.989 ( 1.610 -1.794 0.657) 2.498 18.734 ( -3.608 -22.819 -0.254) 23.103 19.356 ( -0.329 -8.271 -0.409) 8.287 21.492 ( 1.496 1.428 0.143) 2.073 23.369 ( -0.148 0.900 -0.358) 0.980 23.919 ( -0.741 -12.129 -0.555) 12.164 26.021 ( 1.689 19.352 1.059) 19.454 27.468 ( -0.207 -4.921 -0.814) 4.992 28.197 ( 0.791 4.892 0.940) 5.044 ======================= Grid point 67 (48/429) ======================= q-point: ( 0.71 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.327 ( -0.000 11.751 0.000) 11.751 4.618 ( 0.000 -2.554 -0.000) 2.554 4.878 ( -0.000 8.055 0.000) 8.055 5.175 ( -0.000 6.500 0.000) 6.500 5.245 ( 0.000 -12.952 -0.000) 12.952 5.509 ( 0.000 -9.415 -0.000) 9.415 6.572 ( 0.000 -2.554 -0.000) 2.554 6.787 ( 0.000 -6.350 -0.000) 6.350 7.620 ( 0.000 -2.686 -0.000) 2.686 7.852 ( -0.000 1.250 0.000) 1.250 9.205 ( 0.000 -14.641 -0.000) 14.641 9.383 ( 0.000 -16.992 -0.000) 16.992 9.789 ( 0.000 -5.174 -0.000) 5.174 10.414 ( -0.000 2.472 0.000) 2.472 10.770 ( 0.000 -14.720 -0.000) 14.720 10.812 ( 0.000 -13.756 -0.000) 13.756 11.190 ( -0.000 10.140 0.000) 10.140 11.379 ( 0.000 -10.581 -0.000) 10.581 11.800 ( -0.000 0.005 0.000) 0.005 12.270 ( 0.000 -21.938 -0.000) 21.938 12.432 ( -0.000 5.924 0.000) 5.924 12.761 ( -0.000 9.673 0.000) 9.673 12.901 ( -0.000 9.036 0.000) 9.036 13.379 ( -0.000 25.845 0.000) 25.845 14.235 ( 0.000 -9.553 -0.000) 9.553 14.802 ( -0.000 0.220 0.000) 0.220 15.618 ( 0.000 -14.077 -0.000) 14.077 16.029 ( 0.000 -0.588 -0.000) 0.588 19.098 ( 0.000 -16.859 -0.000) 16.859 19.500 ( 0.000 -7.266 -0.000) 7.266 21.410 ( -0.000 7.023 0.000) 7.023 23.356 ( -0.000 0.319 0.000) 0.319 24.112 ( 0.000 -9.168 -0.000) 9.168 25.670 ( -0.000 18.046 0.000) 18.046 27.551 ( 0.000 -4.027 -0.000) 4.027 28.098 ( -0.000 5.820 0.000) 5.820 ======================= Grid point 77 (49/429) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 18.687 0.000 4.459) 19.211 2.615 ( 35.405 0.000 23.199) 42.329 3.622 ( -0.297 -0.000 -2.326) 2.345 4.333 ( 4.585 0.000 14.292) 15.009 4.770 ( 27.545 0.000 14.139) 30.962 5.922 ( -5.105 -0.000 -3.467) 6.171 6.377 ( 11.768 0.000 -8.195) 14.340 6.475 ( 11.939 0.000 -21.043) 24.194 7.387 ( 8.266 0.000 9.160) 12.338 7.756 ( -3.373 -0.000 0.788) 3.464 7.956 ( 0.330 0.000 -3.318) 3.334 7.991 ( -8.434 -0.000 3.744) 9.228 8.817 ( -3.487 -0.000 0.321) 3.502 8.863 ( -4.895 -0.000 -4.436) 6.606 9.529 ( -4.858 -0.000 -1.335) 5.038 9.874 ( 2.392 0.000 -4.486) 5.084 10.215 ( 1.439 0.000 1.159) 1.847 10.246 ( -29.110 -0.000 13.141) 31.939 10.602 ( -8.311 -0.000 -10.779) 13.611 12.453 ( -17.064 -0.000 4.601) 17.673 13.304 ( 0.104 0.000 10.743) 10.744 13.400 ( 5.126 0.000 -11.537) 12.625 13.774 ( 1.677 0.000 0.829) 1.871 14.259 ( 6.197 0.000 -7.056) 9.390 14.557 ( -0.618 -0.000 1.553) 1.671 14.828 ( -0.587 -0.000 -0.043) 0.588 15.690 ( -0.911 -0.000 -5.245) 5.324 16.754 ( -0.031 -0.000 -0.025) 0.039 17.017 ( 11.408 0.000 6.568) 13.164 19.299 ( 9.800 0.000 -12.483) 15.871 20.084 ( 0.032 0.000 -0.033) 0.046 21.218 ( -0.003 -0.000 -0.043) 0.043 23.518 ( -1.940 -0.000 -0.567) 2.021 27.038 ( 3.221 0.000 -11.755) 12.188 27.350 ( -4.507 -0.000 -0.566) 4.543 28.400 ( -3.641 -0.000 23.615) 23.894 ======================= Grid point 78 (50/429) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 13.914 -39.314 4.485) 41.944 2.944 ( 32.326 -10.412 15.805) 37.459 3.864 ( 1.104 -22.528 1.348) 22.595 4.349 ( -18.016 -5.457 3.913) 19.227 5.043 ( 34.988 -3.388 18.126) 39.550 5.914 ( 1.063 -1.251 -4.695) 4.974 6.331 ( -4.560 1.457 -14.261) 15.043 6.613 ( 15.946 -4.984 -9.998) 19.470 7.485 ( 5.460 -1.855 10.883) 12.316 7.615 ( -3.083 18.689 -6.709) 20.095 7.770 ( -0.948 -3.277 -0.060) 3.412 8.049 ( -5.934 -1.126 6.074) 8.566 8.841 ( -1.698 -3.482 -9.253) 10.031 8.997 ( -7.379 -15.085 -0.129) 16.794 9.577 ( -0.275 -7.302 2.129) 7.611 9.937 ( 2.237 -6.044 -6.253) 8.980 10.128 ( -17.504 -4.704 14.095) 22.961 10.415 ( -2.323 -15.828 2.469) 16.187 10.535 ( -6.028 -0.244 -11.709) 13.172 12.351 ( -15.201 1.551 2.432) 15.473 13.262 ( 2.290 7.007 11.411) 13.585 13.345 ( 4.531 6.270 -9.810) 12.493 13.738 ( 0.572 1.853 -0.175) 1.947 14.290 ( 4.728 -1.212 -4.851) 6.882 14.350 ( 2.186 8.653 -1.480) 9.047 15.271 ( -0.287 -17.962 7.630) 19.517 15.517 ( -3.494 5.030 -9.680) 11.455 16.817 ( 3.314 -2.685 -2.258) 4.826 16.943 ( 0.352 12.619 11.290) 16.936 18.930 ( 12.834 23.797 -12.415) 29.751 20.373 ( -6.500 -22.173 3.076) 23.310 21.701 ( 0.752 -41.392 -3.457) 41.542 23.502 ( -1.563 0.463 -0.505) 1.706 27.049 ( 2.571 -0.800 -9.162) 9.550 27.257 ( -3.103 6.400 1.663) 7.305 28.403 ( -1.492 1.763 15.078) 15.254 ======================= Grid point 79 (51/429) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( 14.821 -40.028 7.491) 43.337 3.450 ( 25.657 -22.699 6.302) 34.831 4.252 ( -13.803 -12.187 6.552) 19.544 4.470 ( -5.675 -21.526 -4.184) 22.651 5.303 ( 14.419 -4.496 13.072) 19.975 5.886 ( 2.732 5.831 -10.321) 12.165 6.304 ( -5.566 -4.896 -4.999) 8.941 6.773 ( 14.451 -3.270 -0.992) 14.850 7.152 ( -4.889 18.591 -4.282) 19.694 7.700 ( 3.721 -11.273 3.046) 12.256 7.908 ( -1.543 -10.998 -0.965) 11.147 8.023 ( -5.953 -0.938 5.357) 8.063 8.906 ( -1.906 -6.897 -8.522) 11.127 9.227 ( -3.522 -12.872 -1.337) 13.412 9.837 ( 0.800 -18.705 4.680) 19.298 10.087 ( -0.721 -9.867 -4.270) 10.776 10.265 ( -7.553 -13.777 14.081) 21.098 10.472 ( -3.756 -0.792 -14.293) 14.799 10.800 ( 0.699 -22.250 1.565) 22.316 12.223 ( -10.650 4.206 0.521) 11.462 13.141 ( 3.056 9.299 13.113) 16.364 13.193 ( 4.808 10.271 -9.797) 14.986 13.764 ( -1.175 -4.273 -1.756) 4.767 14.255 ( 2.072 3.073 -1.704) 4.079 14.343 ( 2.776 -2.332 -1.166) 3.808 15.033 ( -1.373 21.679 -0.329) 21.725 15.617 ( 1.028 8.045 -1.132) 8.190 16.645 ( 2.921 21.714 8.846) 23.628 17.000 ( -5.715 -25.163 -1.679) 25.859 18.772 ( 3.964 -3.217 -7.668) 9.212 20.802 ( -1.659 -24.026 2.073) 24.172 22.485 ( -1.019 -39.306 -3.265) 39.455 23.481 ( -1.230 0.755 -0.417) 1.503 26.977 ( 1.604 10.624 -2.591) 11.052 27.183 ( -0.798 -1.920 -0.576) 2.158 28.379 ( 0.238 2.510 7.331) 7.752 ======================= Grid point 80 (52/429) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.959 ( 24.359 -21.876 5.644) 33.224 4.088 ( 12.715 -26.767 4.162) 29.924 4.328 ( -20.239 -9.879 1.396) 22.565 4.858 ( -4.239 -17.803 -1.277) 18.345 5.401 ( -2.516 -0.981 1.092) 2.913 5.713 ( 0.356 10.377 -5.718) 11.854 6.395 ( -1.844 -6.315 -0.199) 6.582 6.696 ( 3.521 14.956 2.707) 15.601 7.117 ( 7.051 -13.918 -2.700) 15.834 7.913 ( -2.613 -1.620 2.877) 4.211 8.000 ( -6.534 -14.818 -3.840) 16.643 8.265 ( 2.289 -19.709 2.651) 20.018 9.069 ( -0.832 -12.745 -4.793) 13.642 9.494 ( 0.773 -17.587 0.584) 17.614 10.235 ( 2.988 -19.210 4.376) 19.927 10.266 ( -3.047 -10.193 2.077) 10.839 10.395 ( -3.558 -1.804 -5.828) 7.063 10.662 ( -1.450 -23.291 -1.090) 23.361 11.223 ( 1.149 -20.308 0.794) 20.356 12.077 ( -4.235 6.462 -0.201) 7.729 12.974 ( -0.214 11.711 3.933) 12.356 13.021 ( 4.745 8.748 -1.415) 10.052 13.822 ( -1.709 -2.255 -1.687) 3.295 14.264 ( 3.129 -2.012 -3.547) 5.140 14.315 ( -0.642 12.671 2.984) 13.033 14.675 ( -1.424 8.431 -0.740) 8.582 15.294 ( -0.012 18.755 0.430) 18.759 16.263 ( 3.345 19.142 2.468) 19.588 17.600 ( -4.876 -36.479 -0.210) 36.804 18.951 ( 0.034 -12.531 -2.297) 12.740 21.206 ( 0.804 -17.450 0.669) 17.482 23.113 ( -0.690 -27.377 -1.489) 27.426 23.467 ( -0.826 -0.844 -0.171) 1.194 26.719 ( 1.230 16.345 0.473) 16.398 27.259 ( -0.149 -5.493 -1.220) 5.629 28.340 ( 0.590 2.933 2.449) 3.866 ======================= Grid point 81 (53/429) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.351 ( 0.000 -7.479 -0.000) 7.479 4.489 ( 0.000 -8.618 -0.000) 8.618 4.521 ( 0.000 -21.576 -0.000) 21.576 5.059 ( 0.000 -7.273 -0.000) 7.273 5.371 ( -0.000 2.102 0.000) 2.102 5.505 ( -0.000 10.639 0.000) 10.639 6.511 ( 0.000 -6.559 -0.000) 6.559 6.517 ( -0.000 4.285 0.000) 4.285 7.423 ( 0.000 -12.064 -0.000) 12.064 7.887 ( -0.000 0.944 0.000) 0.944 8.359 ( 0.000 -24.269 -0.000) 24.269 8.666 ( 0.000 -20.648 -0.000) 20.648 9.341 ( 0.000 -15.771 -0.000) 15.771 9.907 ( 0.000 -24.839 -0.000) 24.839 10.377 ( 0.000 -2.174 -0.000) 2.174 10.432 ( 0.000 -7.242 -0.000) 7.242 10.644 ( 0.000 -20.215 -0.000) 20.215 11.126 ( 0.000 -23.496 -0.000) 23.496 11.551 ( 0.000 -14.262 -0.000) 14.262 11.937 ( -0.000 6.754 0.000) 6.754 12.758 ( -0.000 10.812 0.000) 10.812 12.893 ( -0.000 5.911 0.000) 5.911 13.847 ( -0.000 29.798 0.000) 29.798 13.850 ( 0.000 -2.102 -0.000) 2.102 14.254 ( -0.000 8.024 0.000) 8.024 14.695 ( 0.000 -5.097 -0.000) 5.097 15.113 ( 0.000 -2.540 -0.000) 2.540 16.029 ( -0.000 6.700 0.000) 6.700 18.223 ( 0.000 -30.275 -0.000) 30.275 19.175 ( 0.000 -10.856 -0.000) 10.856 21.445 ( 0.000 -7.387 -0.000) 7.387 23.374 ( 0.000 -1.503 -0.000) 1.503 23.637 ( 0.000 -16.857 -0.000) 16.857 26.390 ( -0.000 18.765 0.000) 18.765 27.365 ( 0.000 -5.733 -0.000) 5.733 28.282 ( -0.000 3.710 0.000) 3.710 ======================= Grid point 93 (54/429) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 10.250 0.000 2.544) 10.561 3.075 ( 29.317 0.000 14.697) 32.795 3.607 ( -0.655 -0.000 -1.492) 1.629 4.192 ( -20.385 -0.000 2.233) 20.507 5.283 ( 35.677 0.000 19.401) 40.611 5.867 ( -2.654 -0.000 -1.733) 3.169 6.267 ( -9.517 -0.000 -19.249) 21.473 6.665 ( 16.890 0.000 -7.193) 18.358 7.506 ( 6.609 0.000 6.669) 9.389 7.712 ( -3.955 -0.000 -1.138) 4.116 7.904 ( -7.605 -0.000 2.975) 8.166 7.949 ( 0.244 0.000 -1.872) 1.888 8.770 ( -3.292 -0.000 -1.540) 3.634 8.803 ( -2.843 -0.000 -2.582) 3.841 9.531 ( 3.700 0.000 1.017) 3.837 9.874 ( 0.135 0.000 -7.618) 7.619 10.009 ( -18.676 -0.000 15.932) 24.549 10.231 ( 0.761 0.000 0.611) 0.976 10.489 ( -4.204 -0.000 -9.348) 10.250 12.289 ( -11.451 -0.000 1.809) 11.593 13.351 ( -0.399 -0.000 13.159) 13.165 13.405 ( 3.422 0.000 -12.447) 12.908 13.794 ( 1.105 0.000 0.635) 1.274 14.294 ( 3.376 0.000 -4.315) 5.479 14.556 ( -0.242 -0.000 0.470) 0.528 14.823 ( -0.326 -0.000 -0.024) 0.327 15.665 ( -0.726 -0.000 -2.657) 2.755 16.754 ( -0.017 -0.000 -0.014) 0.022 17.144 ( 6.587 0.000 3.685) 7.547 19.351 ( 4.983 0.000 -6.039) 7.830 20.084 ( 0.018 0.000 -0.018) 0.026 21.218 ( -0.002 -0.000 -0.024) 0.024 23.499 ( -0.999 -0.000 -0.319) 1.049 27.034 ( 1.580 0.000 -5.480) 5.703 27.305 ( -2.654 -0.000 -0.300) 2.670 28.435 ( -1.540 -0.000 10.998) 11.105 ======================= Grid point 94 (55/429) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 5.093 -39.821 1.669) 40.180 3.301 ( 17.720 -8.863 6.054) 20.717 3.889 ( 2.832 -24.391 3.010) 24.739 4.122 ( -16.703 -4.549 -2.185) 17.449 5.429 ( 16.227 4.095 11.491) 20.301 5.954 ( 8.886 -4.781 1.647) 10.224 6.149 ( -14.326 -0.056 -14.173) 20.152 6.759 ( 9.266 -3.269 -2.772) 10.209 7.537 ( -3.055 21.190 2.739) 21.584 7.588 ( 3.260 -2.567 -0.179) 4.154 7.741 ( -2.496 -5.367 -1.297) 6.060 8.023 ( -1.411 0.191 2.303) 2.707 8.804 ( -0.453 -2.377 -3.576) 4.318 8.932 ( -2.991 -15.160 -0.117) 15.453 9.604 ( 2.137 -6.604 1.221) 7.048 9.911 ( -2.878 -6.375 -3.185) 7.686 10.033 ( -4.952 -8.067 8.053) 12.428 10.417 ( 0.609 -16.770 -0.116) 16.782 10.448 ( -2.660 0.467 -5.173) 5.836 12.226 ( -6.100 1.567 0.710) 6.338 13.320 ( -0.567 5.568 13.175) 14.315 13.347 ( 2.949 5.516 -12.330) 13.826 13.742 ( 0.237 2.834 -0.028) 2.844 14.315 ( 1.698 -1.370 -1.854) 2.864 14.365 ( 0.905 8.270 -0.600) 8.341 15.301 ( 0.774 -28.596 4.845) 29.014 15.448 ( -2.389 15.320 -5.520) 16.458 16.837 ( 1.201 -2.826 -0.994) 3.228 16.978 ( 0.287 15.825 4.071) 16.343 19.003 ( 4.642 24.576 -4.240) 25.367 20.330 ( -2.282 -22.283 1.243) 22.434 21.699 ( 0.321 -40.346 -1.099) 40.362 23.488 ( -0.539 0.551 -0.188) 0.793 27.046 ( 0.810 -0.801 -2.941) 3.154 27.236 ( -1.127 5.453 0.484) 5.589 28.429 ( -0.458 1.523 4.863) 5.116 ======================= Grid point 95 (56/429) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( 0.000 -45.689 -0.000) 45.689 3.652 ( 0.000 -20.682 -0.000) 20.682 4.136 ( 0.000 -5.133 -0.000) 5.133 4.433 ( 0.000 -26.592 -0.000) 26.592 5.416 ( -0.000 2.128 0.000) 2.128 5.898 ( -0.000 9.556 0.000) 9.556 6.234 ( 0.000 -9.844 -0.000) 9.844 6.901 ( 0.000 -9.089 -0.000) 9.089 7.086 ( -0.000 22.873 0.000) 22.873 7.729 ( 0.000 -10.287 -0.000) 10.287 7.870 ( 0.000 -6.776 -0.000) 6.776 8.019 ( 0.000 -4.030 -0.000) 4.030 8.879 ( 0.000 -6.624 -0.000) 6.624 9.205 ( 0.000 -14.065 -0.000) 14.065 9.855 ( 0.000 -18.762 -0.000) 18.762 10.063 ( 0.000 -10.195 -0.000) 10.195 10.265 ( 0.000 -16.805 -0.000) 16.805 10.408 ( -0.000 1.791 0.000) 1.791 10.811 ( 0.000 -22.739 -0.000) 22.739 12.158 ( -0.000 3.804 0.000) 3.804 13.186 ( -0.000 9.941 0.000) 9.941 13.202 ( -0.000 8.597 0.000) 8.597 13.754 ( 0.000 -3.378 -0.000) 3.378 14.264 ( -0.000 2.952 0.000) 2.952 14.358 ( 0.000 -2.413 -0.000) 2.413 15.025 ( -0.000 22.683 0.000) 22.683 15.620 ( -0.000 6.944 0.000) 6.944 16.679 ( -0.000 19.371 0.000) 19.371 16.964 ( 0.000 -21.914 -0.000) 21.914 18.782 ( 0.000 -1.593 -0.000) 1.593 20.797 ( 0.000 -25.138 -0.000) 25.138 22.473 ( 0.000 -38.856 -0.000) 38.856 23.473 ( -0.000 0.825 0.000) 0.825 26.981 ( -0.000 9.954 0.000) 9.954 27.177 ( 0.000 -1.904 -0.000) 1.904 28.394 ( -0.000 2.416 0.000) 2.416 ======================= Grid point 110 (57/429) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 0.000 0.000 0.000) 0.000 3.314 ( 0.000 0.000 -0.000) 0.000 3.600 ( 0.000 0.000 0.000) 0.000 4.035 ( -0.000 -0.000 -0.000) 0.000 5.582 ( -0.000 -0.000 -0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 6.128 ( 0.000 0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 7.570 ( -0.000 -0.000 -0.000) 0.000 7.674 ( 0.000 0.000 0.000) 0.000 7.860 ( 0.000 0.000 0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 8.745 ( 0.000 0.000 -0.000) 0.000 8.781 ( 0.000 0.000 -0.000) 0.000 9.570 ( -0.000 -0.000 0.000) 0.000 9.830 ( 0.000 0.000 0.000) 0.000 9.949 ( 0.000 0.000 -0.000) 0.000 10.237 ( 0.000 0.000 0.000) 0.000 10.444 ( 0.000 0.000 0.000) 0.000 12.222 ( 0.000 0.000 -0.000) 0.000 13.387 ( -0.000 -0.000 0.000) 0.000 13.388 ( 0.000 0.000 -0.000) 0.000 13.802 ( 0.000 0.000 0.000) 0.000 14.306 ( 0.000 0.000 -0.000) 0.000 14.555 ( 0.000 0.000 0.000) 0.000 14.821 ( 0.000 0.000 0.000) 0.000 15.655 ( 0.000 0.000 0.000) 0.000 16.753 ( 0.000 0.000 -0.000) 0.000 17.191 ( 0.000 0.000 -0.000) 0.000 19.369 ( 0.000 0.000 0.000) 0.000 20.084 ( 0.000 0.000 0.000) 0.000 21.218 ( 0.000 0.000 0.000) 0.000 23.492 ( 0.000 0.000 0.000) 0.000 27.033 ( 0.000 0.000 0.000) 0.000 27.289 ( 0.000 0.000 0.000) 0.000 28.447 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 205 (58/429) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( -5.118 -0.000 36.207) 36.567 0.782 ( 9.187 0.000 38.021) 39.116 1.806 ( 0.018 0.000 87.319) 87.319 3.574 ( -0.781 -0.000 -1.382) 1.587 4.954 ( 1.872 0.000 1.970) 2.717 5.158 ( -0.520 -0.000 -2.060) 2.125 6.361 ( -7.575 -0.000 -7.075) 10.365 6.391 ( 2.073 0.000 -18.724) 18.839 6.836 ( 9.785 0.000 8.012) 12.646 7.780 ( 2.537 0.000 -3.868) 4.625 7.819 ( 14.699 0.000 6.468) 16.060 7.969 ( -1.213 -0.000 -2.353) 2.647 9.043 ( 1.858 0.000 -0.791) 2.020 9.171 ( -3.125 -0.000 -1.142) 3.327 9.708 ( 13.676 0.000 -10.495) 17.239 10.121 ( 0.717 0.000 2.227) 2.340 10.325 ( 5.953 0.000 7.043) 9.222 10.614 ( -14.221 -0.000 -10.184) 17.491 12.142 ( 13.950 0.000 3.901) 14.486 12.489 ( 15.907 0.000 -13.855) 21.095 13.105 ( -28.360 -0.000 10.821) 30.354 13.718 ( -4.798 -0.000 -3.908) 6.188 13.956 ( 3.648 0.000 7.075) 7.960 14.460 ( -1.274 -0.000 -0.220) 1.293 14.842 ( -30.837 -0.000 0.396) 30.840 14.845 ( 0.421 0.000 -1.422) 1.483 15.541 ( 30.072 0.000 2.320) 30.162 16.408 ( 6.790 0.000 0.016) 6.790 16.765 ( -0.306 -0.000 0.881) 0.932 18.216 ( -59.760 -0.000 -6.239) 60.085 20.097 ( -0.448 -0.000 1.302) 1.377 21.208 ( 0.311 0.000 -1.085) 1.129 23.685 ( -6.251 -0.000 2.988) 6.928 24.578 ( 82.982 0.000 -7.266) 83.299 27.560 ( -5.723 -0.000 3.216) 6.564 30.598 ( -1.280 -0.000 -1.627) 2.070 ======================= Grid point 206 (59/429) ======================= q-point: ( 0.07 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 24.213 -18.100 29.827) 42.468 1.499 ( 3.617 -41.968 30.184) 51.821 2.306 ( 10.998 -38.481 63.146) 74.761 3.944 ( -1.860 -35.387 -0.606) 35.441 4.935 ( 3.645 0.143 -2.013) 4.166 5.154 ( 3.427 0.993 1.077) 3.727 6.213 ( 0.764 6.764 -15.474) 16.905 6.581 ( -5.594 -10.875 -11.713) 16.934 7.091 ( 7.113 -17.667 0.613) 19.055 7.682 ( 0.484 11.568 -3.576) 12.118 7.840 ( 0.450 3.386 3.274) 4.731 8.053 ( 7.081 -6.599 8.375) 12.799 8.926 ( -1.564 -9.471 -7.390) 12.115 9.568 ( -10.863 -20.257 -8.131) 24.381 9.733 ( 11.605 1.757 -11.226) 16.242 10.120 ( -1.020 -0.867 5.918) 6.068 10.410 ( -6.130 -3.091 -12.673) 14.413 10.620 ( -1.117 -9.286 -1.594) 9.488 12.140 ( -12.491 25.552 14.475) 31.914 12.235 ( 14.485 -0.085 4.793) 15.257 12.898 ( -9.484 8.256 9.479) 15.747 13.632 ( -2.130 2.471 -5.613) 6.492 13.895 ( -3.454 2.643 5.764) 7.221 14.283 ( -4.329 7.085 9.885) 12.909 14.349 ( -12.361 5.332 -0.393) 13.468 15.058 ( 13.731 0.567 0.756) 13.763 15.594 ( -5.101 13.582 -2.377) 14.701 16.233 ( 23.155 30.010 3.653) 38.080 17.045 ( 13.208 -36.314 -7.187) 39.304 18.248 ( -34.026 -25.548 -1.515) 42.577 21.191 ( -5.255 -0.420 -0.844) 5.339 21.819 ( -28.495 -101.036 -77.146) 130.276 23.679 ( -8.210 -2.956 1.898) 8.930 25.132 ( 77.117 -8.298 -30.438) 83.321 27.526 ( -6.755 0.341 2.674) 7.273 29.758 ( -18.625 53.304 49.248) 74.924 ======================= Grid point 207 (60/429) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 20.144 -31.085 19.796) 41.999 2.221 ( 8.548 -27.837 41.133) 50.397 3.477 ( 14.613 -59.450 28.362) 67.470 4.635 ( -9.958 -33.420 -2.709) 34.977 5.071 ( 7.970 -12.405 4.913) 15.541 5.189 ( 10.694 -3.658 -3.710) 11.896 6.078 ( 1.353 4.922 -13.897) 14.805 6.677 ( -2.094 -4.180 -6.254) 7.809 7.290 ( -0.535 9.658 -10.148) 14.020 7.564 ( 1.742 -11.723 3.876) 12.469 7.801 ( -2.126 -0.066 4.945) 5.383 8.358 ( 5.894 -19.092 11.964) 23.290 9.134 ( -6.053 -13.126 -21.139) 25.608 9.769 ( 8.472 -3.827 -9.344) 13.181 9.812 ( -9.451 -12.838 -0.875) 15.965 10.191 ( -2.984 -7.179 2.142) 8.064 10.400 ( -10.310 -6.315 -13.176) 17.882 10.854 ( 0.607 -13.869 1.758) 13.993 11.703 ( -16.430 14.026 18.814) 28.647 12.336 ( 12.690 -0.992 4.679) 13.561 12.669 ( -0.560 15.355 5.904) 16.460 13.550 ( -5.385 4.931 -5.227) 8.980 13.890 ( -7.607 -2.484 0.442) 8.014 14.137 ( -8.724 5.273 -1.984) 10.385 14.293 ( 5.733 -0.425 5.311) 7.826 15.071 ( 12.364 7.592 -2.211) 14.676 15.210 ( -5.885 17.046 -1.912) 18.134 15.817 ( 21.759 26.893 5.517) 35.030 17.868 ( 8.417 -41.424 1.170) 42.287 18.606 ( -27.038 -29.561 -7.559) 40.768 21.160 ( -3.981 0.261 0.395) 4.009 22.817 ( -17.274 -41.218 -55.268) 71.077 23.714 ( -12.618 -7.469 0.972) 14.696 25.551 ( 52.515 -1.385 -32.556) 61.803 27.484 ( -8.108 -0.325 3.230) 8.734 28.984 ( -11.056 30.736 52.469) 61.806 ======================= Grid point 208 (61/429) ======================= q-point: ( 0.21 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 15.945 -29.641 16.210) 37.357 2.873 ( 10.032 -28.069 34.134) 45.317 4.556 ( 12.767 -33.405 12.477) 37.876 5.054 ( -5.462 -26.819 0.375) 27.372 5.219 ( 3.422 -3.582 5.875) 7.685 5.636 ( 13.889 -22.010 -3.573) 26.270 6.010 ( 0.047 -0.995 -9.773) 9.824 6.695 ( -2.077 -0.334 -5.259) 5.664 7.060 ( -7.719 5.577 -9.925) 13.755 7.803 ( 0.779 -6.891 3.951) 7.982 7.928 ( 6.925 -14.512 7.077) 17.568 8.833 ( -1.352 -25.333 9.921) 27.240 9.233 ( -7.831 -8.218 -27.226) 29.498 9.850 ( 0.512 -3.294 -6.387) 7.205 10.026 ( -7.657 -13.775 3.110) 16.064 10.392 ( -1.415 -16.049 -2.423) 16.292 10.499 ( -3.490 -9.844 -8.504) 13.469 11.123 ( -3.421 -13.931 3.864) 14.856 11.513 ( -11.553 -0.052 14.620) 18.634 12.308 ( 2.392 18.023 -1.024) 18.210 12.469 ( 10.676 0.594 12.336) 16.325 13.343 ( -10.881 10.748 -0.456) 15.302 13.777 ( -0.001 11.948 -3.421) 12.428 14.010 ( 1.294 8.694 -5.730) 10.492 14.395 ( 1.161 -6.149 1.684) 6.480 14.867 ( -4.531 4.893 -0.492) 6.687 15.058 ( 6.199 6.517 -4.951) 10.268 15.570 ( 14.816 10.154 8.788) 19.996 18.625 ( 1.087 -33.374 6.739) 34.065 18.961 ( -19.806 -23.698 -10.788) 32.715 21.148 ( 0.088 -0.211 1.267) 1.287 23.164 ( -2.072 -13.226 -33.796) 36.350 23.830 ( -16.410 -13.751 -2.731) 21.583 25.696 ( 36.110 7.112 -21.444) 42.595 27.470 ( -7.782 -2.583 3.660) 8.979 28.587 ( -5.249 17.126 38.980) 42.898 ======================= Grid point 209 (62/429) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( 12.278 -22.269 17.024) 30.602 3.503 ( 8.819 -26.301 23.589) 36.413 4.904 ( 7.658 -5.183 6.153) 11.107 5.287 ( 2.311 -1.478 -3.861) 4.736 5.523 ( -5.595 -11.960 -0.716) 13.223 5.981 ( 16.155 -8.350 -2.295) 18.330 6.175 ( 1.411 -17.687 5.501) 18.576 6.675 ( -7.463 -2.748 -8.090) 11.344 6.959 ( -10.052 -0.879 -8.115) 12.949 7.934 ( 3.607 -5.132 4.523) 7.733 8.391 ( 8.595 -26.990 8.303) 29.518 9.181 ( -14.162 -13.890 -19.789) 28.020 9.399 ( 0.512 -18.076 -2.462) 18.250 9.913 ( -3.249 -5.693 2.883) 7.161 10.195 ( -7.903 -7.962 -0.428) 11.227 10.652 ( 1.417 -8.337 -1.666) 8.619 10.750 ( -0.023 -20.388 -4.708) 20.925 11.339 ( -7.472 -12.047 7.339) 15.963 11.624 ( -2.523 -11.715 5.280) 13.096 11.993 ( 3.652 13.812 2.705) 14.541 12.579 ( 8.359 -2.676 10.370) 13.586 13.050 ( -12.377 12.231 1.031) 17.432 13.434 ( 9.503 25.263 -5.675) 27.581 13.803 ( 1.736 12.038 -3.314) 12.606 14.441 ( -5.305 -0.494 -6.939) 8.749 14.849 ( 3.060 4.140 4.934) 7.130 15.070 ( -0.244 -12.553 -4.272) 13.262 15.629 ( 7.684 -5.639 7.756) 12.288 19.133 ( -9.736 -21.493 8.827) 25.193 19.217 ( -10.351 -15.179 -11.620) 21.739 21.176 ( 5.478 -0.615 1.691) 5.766 23.246 ( 2.822 -2.332 -21.213) 21.527 23.996 ( -14.272 -13.110 -4.799) 19.965 25.664 ( 25.685 11.294 -10.771) 30.054 27.505 ( -6.034 -4.484 3.765) 8.408 28.375 ( -1.991 10.563 26.719) 28.800 ======================= Grid point 210 (63/429) ======================= q-point: ( 0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( 8.976 -12.472 16.369) 22.451 4.034 ( 6.300 -21.050 15.848) 27.092 5.020 ( 9.289 -1.680 4.935) 10.652 5.267 ( -0.156 3.267 -3.730) 4.961 5.511 ( -10.127 2.114 -3.516) 10.926 6.189 ( 8.439 -6.567 -5.985) 12.254 6.461 ( 1.162 -6.678 -0.015) 6.779 6.735 ( -1.987 -7.401 4.461) 8.867 6.912 ( -10.107 -1.624 -6.302) 12.021 8.046 ( 4.108 -3.208 5.466) 7.553 9.002 ( 5.961 -29.565 1.994) 30.226 9.278 ( -16.103 -12.177 -24.747) 31.938 9.737 ( 1.523 -14.463 5.962) 15.717 10.052 ( 1.103 -7.915 11.372) 13.899 10.258 ( -6.496 -5.226 -4.063) 9.274 10.795 ( 2.546 -5.708 -0.667) 6.285 11.096 ( 0.872 -15.093 0.574) 15.129 11.502 ( -6.933 -6.221 5.151) 10.644 11.779 ( 1.728 -2.290 -2.632) 3.893 11.989 ( -0.149 -13.598 5.989) 14.859 12.641 ( -0.354 6.378 9.983) 11.852 12.811 ( -3.329 3.109 1.520) 4.801 13.007 ( 9.293 22.207 -5.139) 24.615 13.545 ( 2.613 16.642 -2.821) 17.080 14.406 ( -5.831 -2.260 -6.712) 9.174 14.783 ( 4.729 4.639 0.771) 6.669 15.388 ( -2.425 -18.992 -0.112) 19.147 15.820 ( 3.366 -8.080 5.617) 10.400 19.341 ( -15.378 -10.138 -5.512) 19.226 19.412 ( -2.696 -9.438 3.264) 10.344 21.230 ( 7.692 -0.293 1.820) 7.910 23.242 ( 3.729 0.505 -15.517) 15.967 24.121 ( -10.086 -8.401 -3.389) 13.557 25.559 ( 17.531 11.177 -4.732) 21.323 27.573 ( -4.438 -4.966 4.489) 8.032 28.243 ( -0.603 7.459 17.872) 19.376 ======================= Grid point 211 (64/429) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.754 ( 6.810 -0.584 12.476) 14.226 4.425 ( 3.234 -14.610 11.302) 18.753 5.090 ( 4.465 1.840 -0.253) 4.836 5.140 ( -2.403 6.555 -0.723) 7.019 5.449 ( -5.914 -2.531 -0.023) 6.433 6.238 ( -9.646 -1.314 -10.360) 14.216 6.596 ( 11.678 -5.489 -1.469) 12.987 6.811 ( -8.041 -0.936 4.523) 9.273 6.905 ( 3.600 -1.121 0.348) 3.787 8.115 ( 1.967 -0.838 5.512) 5.912 9.328 ( -13.491 -10.564 -22.655) 28.405 9.541 ( -1.132 -20.775 0.670) 20.817 9.957 ( 7.626 -3.951 6.425) 10.726 10.223 ( 3.601 -3.730 15.262) 16.118 10.358 ( -4.960 -11.283 -5.157) 13.360 10.885 ( 4.710 -1.068 1.659) 5.106 11.295 ( 0.204 -4.134 0.937) 4.244 11.501 ( -6.563 -0.366 4.052) 7.722 11.845 ( -0.499 -4.097 -3.406) 5.351 12.333 ( -1.743 -19.446 2.016) 19.628 12.434 ( -3.203 10.021 4.046) 11.271 12.671 ( 7.555 13.346 1.020) 15.370 12.904 ( -0.226 -4.112 3.979) 5.726 13.200 ( 2.463 20.126 -2.969) 20.492 14.447 ( -5.154 -6.093 -4.760) 9.292 14.733 ( 5.191 3.985 -1.153) 6.645 15.697 ( -3.047 -14.501 0.319) 14.821 15.946 ( 1.916 -1.873 3.655) 4.532 19.395 ( -7.888 -4.563 -3.523) 9.770 19.524 ( -2.602 -3.826 1.541) 4.877 21.274 ( 4.916 0.075 1.936) 5.284 23.227 ( 3.992 0.357 -12.793) 13.406 24.190 ( -5.385 -4.547 -1.116) 7.136 25.443 ( 9.496 8.418 -3.141) 13.073 27.651 ( -3.533 -4.571 6.129) 8.422 28.144 ( -0.766 5.681 11.774) 13.095 ======================= Grid point 212 (65/429) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.726 ( 5.465 8.649 7.535) 12.706 4.620 ( -4.046 -0.034 10.169) 10.944 4.932 ( -1.782 4.034 -1.853) 4.783 5.109 ( -1.295 1.929 -4.752) 5.290 5.524 ( -0.447 -5.623 5.696) 8.017 6.171 ( -12.204 -1.743 -10.174) 15.984 6.715 ( -1.184 0.790 -9.957) 10.058 6.776 ( 2.849 -1.002 9.107) 9.594 6.969 ( 14.141 0.286 5.326) 15.113 8.120 ( -1.569 1.268 3.971) 4.454 9.395 ( -9.905 -7.221 -17.491) 21.359 9.785 ( -3.042 -4.580 -0.564) 5.527 9.974 ( 6.419 6.060 5.770) 10.546 10.238 ( -0.112 4.794 9.454) 10.601 10.573 ( 3.213 -8.901 0.920) 9.507 10.891 ( 2.274 3.382 6.814) 7.939 11.295 ( -2.331 -1.423 -1.136) 2.958 11.533 ( 0.069 -2.080 2.493) 3.248 11.846 ( -1.198 3.674 -5.181) 6.463 12.256 ( 1.473 7.937 -1.436) 8.200 12.557 ( -0.607 -2.943 4.012) 5.013 12.628 ( -2.189 3.040 3.229) 4.946 12.922 ( -0.749 -0.449 -2.305) 2.465 12.986 ( 0.199 -5.255 4.969) 7.235 14.527 ( -3.999 -5.282 -2.743) 7.170 14.674 ( 5.427 5.406 -3.047) 8.244 15.867 ( -2.399 -2.694 0.818) 3.699 15.918 ( 1.433 4.529 1.347) 4.938 19.435 ( -0.998 -3.322 -0.658) 3.530 19.533 ( 1.482 2.584 -1.001) 3.142 21.291 ( -0.828 -0.233 2.159) 2.324 23.234 ( 4.146 -1.061 -11.547) 12.315 24.238 ( 0.137 -2.488 0.721) 2.594 25.346 ( 0.996 4.312 -4.610) 6.390 27.724 ( -2.871 -3.636 9.027) 10.146 28.064 ( -2.379 3.750 7.367) 8.602 ======================= Grid point 213 (66/429) ======================= q-point: (-0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( 2.750 14.666 5.443) 15.883 4.386 ( -10.191 17.317 8.067) 21.652 4.911 ( -6.886 3.162 -6.796) 10.178 5.095 ( 4.479 -4.390 0.876) 6.332 5.632 ( -0.496 -3.941 4.592) 6.072 6.130 ( -9.176 -1.741 -8.151) 12.396 6.592 ( -5.256 6.244 -6.388) 10.364 6.842 ( 4.434 -0.708 4.871) 6.624 7.079 ( 20.944 0.592 6.236) 21.860 8.072 ( -4.671 2.172 2.476) 5.715 9.258 ( -10.123 18.244 -16.715) 26.734 9.699 ( 4.347 5.600 4.281) 8.282 9.938 ( 4.213 6.359 0.454) 7.641 10.141 ( -2.881 3.370 10.685) 11.568 10.667 ( 5.364 2.290 -0.900) 5.901 10.804 ( -3.919 5.608 12.899) 14.601 11.350 ( -1.068 -1.013 -1.784) 2.313 11.558 ( 5.984 0.513 4.317) 7.397 11.711 ( -1.120 6.399 -7.221) 9.713 12.121 ( 5.180 9.726 -6.741) 12.918 12.365 ( -3.947 12.633 1.924) 13.375 12.670 ( -5.182 -7.534 2.251) 9.417 13.012 ( -3.576 -7.802 7.987) 11.724 13.279 ( -1.948 -20.860 0.401) 20.954 14.575 ( 3.464 1.808 0.766) 3.982 14.597 ( -0.182 0.404 -6.836) 6.851 15.691 ( 2.485 15.783 0.162) 15.979 15.880 ( -2.597 4.499 0.180) 5.198 19.432 ( 8.599 10.443 -2.766) 13.807 19.515 ( 2.183 -3.970 1.761) 4.861 21.279 ( -6.265 -0.211 2.383) 6.706 23.272 ( 4.307 -2.509 -11.358) 12.404 24.290 ( 7.229 -0.291 1.738) 7.440 25.278 ( -7.699 -0.551 -8.297) 11.332 27.788 ( -1.672 -2.344 13.715) 14.014 28.002 ( -5.354 1.590 3.905) 6.814 ======================= Grid point 214 (67/429) ======================= q-point: (-0.36 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.222 ( -2.857 20.445 6.895) 21.765 3.943 ( -10.887 24.991 9.429) 28.844 4.756 ( -8.146 4.640 -6.388) 11.345 5.248 ( 7.850 -5.512 -0.916) 9.636 5.650 ( -2.054 2.450 0.911) 3.325 6.052 ( -7.431 5.319 -4.261) 10.083 6.425 ( -5.900 5.895 -4.371) 9.416 6.875 ( 2.534 0.298 3.975) 4.724 7.199 ( 22.386 1.539 6.046) 23.239 8.001 ( -7.109 2.064 1.265) 7.510 8.618 ( -6.606 37.088 -11.532) 39.397 9.530 ( 2.917 19.076 -2.318) 19.436 9.832 ( 9.312 5.419 -0.821) 10.805 10.130 ( -9.358 -1.324 6.515) 11.480 10.525 ( 5.560 11.711 7.924) 15.193 10.778 ( -2.049 1.400 10.783) 11.065 11.215 ( -0.055 12.474 -3.587) 12.980 11.499 ( 4.937 11.141 7.558) 14.339 11.721 ( 0.093 -8.602 -6.091) 10.540 11.860 ( 3.358 16.847 -3.408) 17.513 12.230 ( -4.478 2.159 -2.972) 5.791 12.757 ( -1.341 -5.992 -0.257) 6.145 13.279 ( -6.306 -20.894 8.062) 23.266 13.638 ( -4.484 -18.086 1.484) 18.693 14.530 ( 7.420 2.728 -6.402) 10.173 14.654 ( -2.036 -5.879 0.321) 6.230 15.360 ( 3.114 19.814 -1.592) 20.120 15.701 ( -3.114 12.054 -0.203) 12.451 19.216 ( 11.566 18.198 -4.331) 21.993 19.605 ( 5.044 -1.859 4.534) 7.032 21.232 ( -8.441 1.033 2.259) 8.799 23.331 ( 4.526 -3.144 -12.069) 13.268 24.327 ( 16.031 4.312 2.058) 16.728 25.245 ( -15.489 -5.385 -14.747) 22.054 27.848 ( 0.872 -0.855 18.548) 18.588 27.953 ( -9.731 -0.677 3.346) 10.312 ======================= Grid point 215 (68/429) ======================= q-point: (-0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -8.594 25.714 11.284) 29.366 3.343 ( -12.484 33.279 11.387) 37.323 4.644 ( -4.775 3.049 -3.532) 6.676 5.304 ( 7.460 7.943 -3.042) 11.313 5.496 ( -3.225 14.053 0.890) 14.446 5.807 ( -5.629 11.651 -1.867) 13.074 6.317 ( -10.866 0.515 -2.513) 11.165 6.863 ( -0.395 2.942 3.097) 4.290 7.297 ( 23.043 4.221 6.292) 24.256 7.835 ( -11.602 22.142 -18.786) 31.270 7.956 ( -0.521 11.670 6.857) 13.545 9.101 ( 6.610 27.023 -1.844) 27.881 9.739 ( 5.545 9.052 -9.903) 14.518 10.058 ( -10.326 3.173 0.366) 10.809 10.423 ( 8.144 7.487 16.090) 19.526 10.665 ( -4.949 10.296 6.466) 13.127 10.930 ( 1.397 15.214 -5.626) 16.281 11.307 ( 7.446 13.172 9.987) 18.130 11.580 ( 1.321 13.244 1.354) 13.379 11.985 ( -3.570 -20.968 -0.341) 21.273 12.141 ( -3.627 3.769 -3.696) 6.405 12.941 ( 7.424 -11.615 -2.537) 14.016 13.666 ( -8.888 -20.251 4.323) 22.534 13.925 ( -6.237 -16.710 3.546) 18.185 14.516 ( 7.015 4.238 -5.572) 9.910 14.806 ( -1.122 -10.622 2.638) 11.002 15.041 ( 3.099 11.892 -4.954) 13.251 15.423 ( -4.618 13.764 -1.212) 14.569 18.854 ( 13.709 27.359 -5.663) 31.121 19.626 ( 1.789 4.048 7.865) 9.025 21.160 ( -5.305 2.210 1.276) 5.887 23.391 ( 4.748 -2.811 -13.771) 14.836 24.313 ( 24.613 10.256 2.178) 26.753 25.229 ( -19.888 -7.034 -26.147) 33.596 27.841 ( -3.593 3.232 4.441) 6.563 27.996 ( -6.636 -6.722 25.747) 27.425 ======================= Grid point 216 (69/429) ======================= q-point: (-0.21 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -11.979 29.178 17.088) 35.873 2.605 ( -13.311 38.569 16.921) 44.171 4.379 ( -10.587 32.987 4.833) 34.980 4.956 ( 2.964 17.131 1.533) 17.453 5.175 ( 5.171 18.972 0.558) 19.672 5.642 ( -9.645 8.057 -4.084) 13.214 6.183 ( -8.774 5.741 -7.066) 12.644 6.788 ( -2.043 2.550 1.431) 3.567 7.272 ( 14.388 7.890 -2.172) 16.552 7.529 ( -0.002 0.121 -9.678) 9.679 7.851 ( -2.571 4.275 5.803) 7.653 8.600 ( 6.232 29.736 0.707) 30.390 9.562 ( 6.418 9.550 -17.223) 20.713 9.878 ( -6.285 11.405 -0.686) 13.040 10.276 ( 0.294 13.129 7.439) 15.093 10.426 ( -5.509 10.859 4.027) 12.825 10.723 ( 1.162 6.765 -3.687) 7.792 11.152 ( 5.212 11.322 11.946) 17.264 11.418 ( 6.364 3.744 5.062) 8.952 12.055 ( 1.755 3.337 -2.448) 4.495 12.420 ( -9.454 -25.944 7.075) 28.505 13.246 ( 13.595 -14.085 -3.559) 19.897 13.888 ( -4.880 -8.831 -0.835) 10.124 14.175 ( -5.430 -4.597 2.254) 7.463 14.391 ( -0.034 4.013 1.817) 4.405 14.982 ( -0.737 -8.321 0.992) 8.413 15.085 ( 5.000 -8.652 -4.189) 10.835 15.198 ( -9.528 -1.742 -4.379) 10.629 18.315 ( 14.431 37.139 -6.557) 40.380 19.475 ( -6.456 12.700 10.923) 17.952 21.112 ( 2.028 1.549 -0.389) 2.581 23.433 ( 4.854 -1.500 -17.602) 18.321 24.249 ( 32.458 14.056 2.718) 35.475 25.125 ( -20.742 0.482 -45.751) 50.236 27.748 ( -6.710 3.551 1.779) 7.797 28.210 ( -3.716 -12.991 42.422) 44.522 ======================= Grid point 217 (70/429) ======================= q-point: (-0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -16.024 33.774 16.486) 40.856 1.893 ( -9.023 32.096 36.803) 49.659 3.315 ( -15.450 64.620 17.760) 68.773 4.697 ( 4.792 36.519 0.202) 36.833 4.878 ( 5.949 1.773 2.065) 6.542 5.319 ( -17.928 8.742 -3.719) 20.290 6.136 ( 1.542 -4.506 -13.646) 14.453 6.754 ( -1.711 1.317 -1.245) 2.492 7.284 ( 7.825 1.402 -9.942) 12.730 7.552 ( -1.667 -2.756 -3.532) 4.780 7.776 ( 4.722 5.230 6.717) 9.735 8.122 ( 2.913 20.318 5.736) 21.313 9.337 ( 2.272 16.783 -17.392) 24.276 9.634 ( 4.313 8.549 -3.453) 10.179 10.040 ( -1.277 11.994 -6.176) 13.551 10.229 ( -6.498 6.632 6.670) 11.432 10.593 ( -3.460 7.042 -1.527) 7.994 10.943 ( -4.430 11.140 5.672) 13.262 11.594 ( 14.933 -12.427 10.849) 22.251 12.032 ( 7.737 2.003 1.029) 8.058 12.811 ( -15.603 -20.405 12.325) 28.491 13.563 ( 9.707 -10.309 -3.803) 14.662 13.975 ( -0.580 4.530 -3.410) 5.700 14.035 ( 7.730 1.806 -0.009) 7.938 14.470 ( -10.331 -7.657 8.920) 15.650 14.953 ( -6.146 1.696 -3.946) 7.498 15.357 ( 4.405 -16.651 2.622) 17.422 15.498 ( -5.866 -26.886 -8.145) 28.698 17.621 ( 14.248 42.673 -7.218) 45.565 19.121 ( -16.553 19.098 11.747) 27.870 21.125 ( 7.512 0.173 -1.677) 7.699 23.411 ( 4.444 4.051 -32.563) 33.113 24.200 ( 43.192 14.381 3.777) 45.680 24.676 ( -23.040 25.812 -69.920) 78.012 27.652 ( -6.978 2.492 2.904) 7.959 28.657 ( -0.022 -27.575 60.816) 66.775 ======================= Grid point 218 (71/429) ======================= q-point: (-0.07 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -12.455 24.086 25.856) 37.468 1.391 ( -6.761 32.196 39.563) 51.454 2.092 ( -13.346 50.754 51.941) 73.837 3.964 ( -1.402 35.507 0.124) 35.535 4.903 ( 3.485 -0.659 1.857) 4.003 5.175 ( -7.599 -0.187 -3.727) 8.465 6.251 ( 2.730 -8.116 -15.756) 17.932 6.683 ( -4.622 5.494 -8.080) 10.809 7.020 ( 6.962 23.889 -6.784) 25.791 7.680 ( 2.063 -7.922 -0.886) 8.234 7.765 ( 8.778 1.391 3.842) 9.682 7.979 ( -0.225 -0.386 6.059) 6.076 8.965 ( -0.801 14.430 -6.171) 15.714 9.591 ( 15.053 6.073 -10.162) 19.151 9.734 ( -4.035 15.728 -14.813) 21.979 10.130 ( -5.025 1.833 6.492) 8.412 10.416 ( -3.357 8.754 5.670) 10.956 10.748 ( -10.466 4.874 -4.226) 12.295 12.041 ( 10.832 -16.393 13.349) 23.755 12.079 ( 18.879 -6.040 -0.597) 19.830 13.057 ( -24.219 -15.277 17.813) 33.723 13.671 ( -1.268 -2.622 -3.852) 4.829 13.887 ( 2.507 0.434 1.744) 3.084 14.187 ( 9.304 -9.048 4.081) 13.605 14.557 ( -13.806 -7.308 9.092) 18.074 14.937 ( 2.509 -1.776 -2.059) 3.700 15.619 ( 3.108 -5.801 -1.473) 6.744 16.054 ( 2.595 -32.712 -2.091) 32.881 16.923 ( 12.623 34.698 -8.165) 37.815 18.652 ( -33.837 15.219 8.026) 37.960 21.168 ( 8.373 0.510 -2.961) 8.896 22.601 ( -19.232 101.649 -128.569) 165.023 23.831 ( -13.677 18.150 -7.066) 23.800 24.265 ( 60.838 10.494 3.457) 61.834 27.590 ( -6.127 0.656 3.850) 7.266 29.597 ( 11.453 -57.885 62.085) 85.653 ======================= Grid point 220 (72/429) ======================= q-point: ( 0.07 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 11.225 0.000 32.258) 34.155 1.286 ( 42.324 0.000 32.020) 53.072 2.242 ( 20.548 0.000 79.981) 82.579 3.565 ( 0.333 0.000 -2.043) 2.070 4.989 ( 5.220 0.000 -1.194) 5.355 5.198 ( 6.187 0.000 0.927) 6.256 6.241 ( -8.310 -0.000 -6.302) 10.429 6.340 ( 1.472 0.000 -19.337) 19.393 6.987 ( 10.497 0.000 8.111) 13.266 7.795 ( 2.533 0.000 -3.519) 4.335 7.941 ( -1.884 -0.000 -2.970) 3.517 7.977 ( 8.988 0.000 2.685) 9.381 9.001 ( -5.709 -0.000 0.247) 5.714 9.117 ( -4.923 -0.000 -2.144) 5.370 9.795 ( 6.450 0.000 -6.711) 9.308 10.143 ( 1.418 0.000 2.526) 2.896 10.286 ( -16.997 -0.000 -17.896) 24.681 10.549 ( 11.110 0.000 -9.520) 14.630 12.235 ( -14.591 -0.000 -9.137) 17.216 12.467 ( 1.716 0.000 14.432) 14.533 12.947 ( -2.875 -0.000 6.127) 6.768 13.652 ( -3.475 -0.000 -6.268) 7.167 13.970 ( -8.386 -0.000 11.216) 14.005 14.265 ( -21.588 -0.000 5.295) 22.228 14.704 ( -2.458 -0.000 12.887) 13.119 14.843 ( 0.109 0.000 -1.430) 1.434 15.706 ( 2.212 0.000 -3.243) 3.926 16.479 ( 6.755 0.000 -0.037) 6.755 16.765 ( -0.325 -0.000 0.868) 0.926 18.035 ( 18.319 0.000 -11.898) 21.844 20.097 ( -0.421 -0.000 1.295) 1.362 21.208 ( 0.314 0.000 -1.100) 1.144 23.627 ( -4.474 -0.000 -0.235) 4.481 25.439 ( 71.572 0.000 -36.652) 80.411 27.500 ( -5.997 -0.000 1.773) 6.253 30.259 ( -48.530 -0.000 22.449) 53.471 ======================= Grid point 221 (73/429) ======================= q-point: ( 0.14 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 23.010 -22.700 24.255) 40.411 1.744 ( 21.336 -29.632 29.919) 47.207 2.790 ( 30.680 -29.018 60.227) 73.557 3.920 ( -1.166 -32.757 -1.798) 32.827 4.998 ( 7.607 -0.685 -1.369) 7.760 5.229 ( 8.436 0.601 1.164) 8.537 6.154 ( -1.054 4.519 -14.227) 14.964 6.475 ( -4.481 -13.048 -12.432) 18.571 7.187 ( 7.771 -12.452 3.487) 15.086 7.671 ( -0.155 13.973 -3.110) 14.315 7.835 ( -2.119 4.212 2.454) 5.315 8.154 ( 4.711 -9.649 5.250) 11.952 8.873 ( -2.181 -4.661 -8.770) 10.168 9.422 ( -10.181 -19.532 -1.923) 22.110 9.804 ( 6.973 0.838 -9.103) 11.498 10.110 ( -8.906 0.619 -1.695) 9.087 10.207 ( -8.467 -4.492 -10.274) 14.051 10.661 ( 4.376 -7.794 -6.884) 11.282 11.901 ( -32.983 15.244 14.176) 39.003 12.459 ( 18.941 4.940 6.690) 20.686 12.890 ( 1.201 7.064 4.144) 8.278 13.577 ( -4.307 3.362 -5.084) 7.463 13.836 ( -11.146 3.621 9.475) 15.071 14.163 ( -7.070 2.214 2.817) 7.926 14.346 ( -1.056 7.232 3.568) 8.133 15.215 ( 11.579 -4.881 1.280) 12.631 15.524 ( -4.368 16.227 -2.834) 17.042 16.508 ( 18.513 18.888 3.630) 26.696 17.165 ( 7.841 -35.894 1.106) 36.757 17.931 ( -11.852 -10.211 -13.801) 20.861 20.999 ( -20.177 -26.998 -7.682) 34.569 21.500 ( 2.321 -57.037 -30.045) 64.508 23.609 ( -4.842 -0.993 -0.883) 5.021 25.767 ( 54.686 -1.642 -39.030) 67.206 27.456 ( -6.635 0.964 2.293) 7.086 29.619 ( -31.888 34.058 45.713) 65.318 ======================= Grid point 222 (74/429) ======================= q-point: ( 0.21 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 26.545 -24.405 17.962) 40.285 2.498 ( 13.995 -28.984 35.024) 47.566 3.833 ( 25.121 -49.210 33.283) 64.502 4.525 ( -5.452 -28.685 -4.354) 29.522 5.152 ( 0.386 -9.123 11.061) 14.343 5.351 ( 19.668 -10.318 -8.675) 23.845 6.032 ( -0.084 4.622 -14.482) 15.202 6.628 ( -1.478 -6.454 -7.884) 10.295 7.239 ( -1.768 15.585 -8.787) 17.978 7.599 ( 0.839 -13.910 7.094) 15.637 7.808 ( 0.377 -2.284 4.417) 4.987 8.432 ( -0.452 -17.147 8.468) 19.129 8.978 ( -6.129 -8.848 -21.415) 23.968 9.691 ( -10.818 -14.406 1.317) 18.064 9.824 ( 5.635 -2.344 -10.987) 12.569 10.115 ( -8.005 -9.226 -5.073) 13.226 10.298 ( -0.346 -8.469 -3.996) 9.371 10.857 ( -1.208 -12.520 -1.846) 12.713 11.526 ( -24.627 8.135 19.156) 32.243 12.504 ( 14.388 3.089 0.374) 14.720 12.707 ( 1.267 13.100 8.542) 15.690 13.439 ( -10.634 6.763 -1.465) 12.688 13.804 ( -5.847 -3.106 -1.094) 6.710 14.078 ( -1.003 3.822 -2.571) 4.714 14.341 ( -0.341 -4.023 5.155) 6.548 15.121 ( -2.214 21.574 -5.071) 22.273 15.246 ( 12.424 7.117 -0.083) 14.318 16.105 ( 22.738 31.030 6.971) 39.096 17.922 ( -8.975 -39.780 14.709) 43.352 18.286 ( -11.706 -32.139 -23.974) 41.769 21.096 ( -7.124 -4.298 1.778) 8.508 22.493 ( -7.256 -46.424 -38.600) 60.810 23.610 ( -6.804 -3.215 -0.243) 7.529 25.963 ( 39.441 3.063 -33.043) 51.544 27.408 ( -7.250 -0.023 4.199) 8.378 29.010 ( -15.233 24.542 45.229) 53.666 ======================= Grid point 223 (75/429) ======================= q-point: ( 0.29 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 21.779 -25.273 13.267) 35.904 3.150 ( 15.257 -24.640 33.022) 43.936 4.739 ( 10.582 -19.217 5.715) 22.670 5.015 ( -2.364 -34.060 5.398) 34.566 5.296 ( 3.226 -4.617 10.493) 11.909 5.794 ( 16.674 -20.071 -6.664) 26.931 5.964 ( -1.544 -2.745 -9.415) 9.928 6.643 ( -2.954 2.932 -6.990) 8.135 6.953 ( -5.037 7.389 -5.873) 10.699 7.833 ( 1.758 -8.393 5.805) 10.355 8.029 ( 6.125 -17.634 5.385) 19.429 8.768 ( -13.996 -18.091 -2.190) 22.978 9.076 ( -2.566 -12.314 -17.344) 21.425 9.772 ( -9.822 -5.556 -1.102) 11.338 9.996 ( 1.703 -10.248 -3.346) 10.914 10.352 ( -1.405 -18.846 -7.225) 20.232 10.483 ( 2.802 -10.383 -2.001) 10.939 11.078 ( -7.217 -12.202 4.395) 14.842 11.424 ( -12.153 -6.211 13.837) 19.436 12.336 ( 2.547 17.778 -0.898) 17.982 12.633 ( 9.157 1.133 11.729) 14.923 13.199 ( -12.442 10.771 1.445) 16.520 13.786 ( 4.113 6.139 -6.648) 9.940 13.992 ( -0.321 5.934 -5.466) 8.074 14.410 ( -0.288 1.009 2.694) 2.891 14.813 ( -3.978 2.300 -1.571) 4.856 15.126 ( 7.496 10.616 -3.511) 13.462 15.783 ( 15.777 14.750 8.544) 23.226 18.528 ( -26.015 -32.258 8.962) 42.399 18.790 ( 2.937 -25.915 -14.235) 29.713 21.160 ( 0.815 -4.092 2.514) 4.871 23.029 ( 0.234 -20.489 -29.597) 35.998 23.673 ( -10.415 -9.546 -0.120) 14.128 25.992 ( 28.591 9.103 -22.599) 37.563 27.404 ( -6.233 -2.943 5.045) 8.542 28.653 ( -7.157 15.445 34.402) 38.383 ======================= Grid point 224 (76/429) ======================= q-point: ( 0.36 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.369 ( 18.306 -19.045 13.873) 29.838 3.725 ( 13.108 -21.221 25.353) 35.566 4.981 ( 3.335 -7.497 2.120) 8.475 5.323 ( 2.867 0.621 1.357) 3.232 5.430 ( -7.054 -5.241 -7.016) 11.244 6.054 ( -5.265 -9.104 -6.621) 12.427 6.287 ( 15.194 -15.739 3.049) 22.088 6.566 ( -4.982 -5.134 1.517) 7.313 6.863 ( -2.964 0.792 -3.561) 4.700 7.995 ( 3.631 -5.703 4.853) 8.323 8.507 ( 7.073 -26.494 4.242) 27.748 8.890 ( -19.556 -12.245 -24.016) 33.304 9.398 ( -1.545 -20.567 2.079) 20.729 9.881 ( -4.575 -10.386 6.736) 13.197 10.137 ( -0.383 -5.305 -5.297) 7.506 10.649 ( 0.597 -11.038 -8.105) 13.707 10.766 ( 2.944 -19.072 2.900) 19.515 11.271 ( -8.756 -12.829 8.144) 17.538 11.612 ( -2.594 -13.325 4.422) 14.277 12.036 ( 1.600 13.012 3.594) 13.594 12.706 ( 6.645 -1.515 9.373) 11.589 12.916 ( -10.157 11.938 1.342) 15.731 13.527 ( 9.697 23.708 -5.951) 26.297 13.818 ( 3.558 10.954 -4.505) 12.367 14.340 ( -7.460 1.046 -6.385) 9.875 14.895 ( 0.387 1.467 7.217) 7.375 15.050 ( 0.463 -10.209 -6.224) 11.966 15.756 ( 8.982 -1.027 7.103) 11.497 18.900 ( -23.734 -22.761 -1.427) 32.915 19.182 ( 0.616 -15.591 -1.503) 15.675 21.256 ( 6.650 -2.752 2.402) 7.587 23.210 ( 4.314 -4.297 -19.589) 20.514 23.840 ( -10.326 -13.487 -2.386) 17.153 25.890 ( 20.534 12.775 -12.858) 27.389 27.460 ( -4.420 -4.998 5.015) 8.346 28.440 ( -3.205 10.355 24.026) 26.358 ======================= Grid point 225 (77/429) ======================= q-point: ( 0.43 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( 16.397 -8.803 16.129) 24.627 4.185 ( 8.668 -16.392 16.637) 24.912 5.115 ( 4.567 -3.118 3.280) 6.429 5.262 ( 0.427 5.779 -2.231) 6.210 5.363 ( -10.547 1.015 -9.707) 14.370 6.093 ( -18.544 -3.837 -8.528) 20.769 6.488 ( 5.398 -8.218 -7.189) 12.179 6.746 ( -3.924 -2.786 10.186) 11.266 6.917 ( 13.081 -5.481 4.538) 14.892 8.100 ( 1.194 -2.667 5.006) 5.796 8.942 ( -12.964 -16.668 -26.959) 34.245 9.105 ( -0.380 -24.167 3.780) 24.464 9.769 ( -0.485 -18.104 5.279) 18.864 10.114 ( 1.743 -12.040 13.180) 17.937 10.199 ( 0.542 -3.363 -7.117) 7.890 10.817 ( 1.518 -7.853 -3.453) 8.712 11.120 ( 1.468 -14.757 4.493) 15.495 11.436 ( -6.852 -5.572 4.092) 9.733 11.781 ( 0.677 -2.714 -3.464) 4.452 12.006 ( -1.550 -11.444 7.873) 13.977 12.637 ( -3.846 12.230 4.670) 13.644 12.813 ( 0.739 -4.599 4.515) 6.487 13.096 ( 8.466 24.324 -2.994) 25.929 13.580 ( 5.625 17.049 -4.425) 18.490 14.298 ( -8.087 -3.599 -6.569) 11.023 14.829 ( 2.423 4.064 0.645) 4.775 15.359 ( -2.462 -18.729 -0.039) 18.890 15.885 ( 4.175 -5.625 4.835) 8.512 19.129 ( -16.800 -15.136 -4.086) 22.979 19.397 ( -1.810 -8.408 2.181) 8.872 21.329 ( 7.626 0.341 2.080) 7.912 23.234 ( 4.415 0.054 -14.198) 14.869 24.012 ( -6.834 -10.109 -2.102) 12.382 25.720 ( 13.783 13.515 -6.854) 20.484 27.547 ( -3.250 -5.300 5.515) 8.310 28.295 ( -1.531 7.953 16.245) 18.152 ======================= Grid point 226 (78/429) ======================= q-point: ( 0.50 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.934 ( 14.796 4.001 14.628) 21.188 4.508 ( 3.394 -11.108 11.004) 16.000 5.066 ( -6.051 10.556 -2.569) 12.436 5.134 ( 1.565 2.082 -5.878) 6.430 5.394 ( -3.497 -7.698 1.478) 8.583 6.010 ( -21.323 -2.916 -6.979) 22.625 6.642 ( -0.956 -5.135 -9.304) 10.670 6.768 ( 1.095 -2.199 6.903) 7.327 7.082 ( 17.969 -0.763 7.560) 19.510 8.122 ( -4.078 0.093 2.528) 4.799 9.113 ( -8.218 -13.640 -17.881) 23.944 9.520 ( -2.494 -18.026 1.084) 18.230 10.042 ( -0.652 -7.689 6.087) 9.828 10.225 ( -1.365 -1.649 -2.876) 3.585 10.416 ( 10.091 -12.510 10.394) 19.140 10.944 ( 4.003 -3.464 -0.477) 5.315 11.287 ( -2.636 0.918 0.959) 2.951 11.449 ( -4.472 -4.697 4.999) 8.188 11.820 ( -1.194 -2.601 -3.807) 4.763 12.321 ( -1.722 -17.816 2.495) 18.072 12.430 ( -0.351 7.889 4.272) 8.979 12.745 ( 4.513 15.888 0.366) 16.521 12.909 ( -1.536 -4.362 5.513) 7.196 13.230 ( 4.889 21.518 -4.447) 22.510 14.359 ( -6.488 -7.733 -4.809) 11.181 14.778 ( 3.006 3.375 -1.416) 4.736 15.666 ( -2.594 -14.390 0.638) 14.636 15.984 ( 2.303 -1.099 2.847) 3.823 19.278 ( -9.114 -9.974 -2.986) 13.837 19.512 ( -0.774 -4.525 1.365) 4.790 21.336 ( 4.310 2.883 1.926) 5.532 23.229 ( 4.261 0.184 -12.004) 12.739 24.137 ( -3.093 -6.914 -0.535) 7.593 25.527 ( 7.139 12.155 -4.468) 14.788 27.637 ( -2.927 -4.903 6.781) 8.865 28.175 ( -1.400 6.760 10.906) 12.907 ======================= Grid point 227 (79/429) ======================= q-point: (-0.43 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.866 ( 11.811 13.211 10.615) 20.656 4.597 ( -5.583 6.703 8.262) 12.015 4.895 ( -3.495 1.531 -5.342) 6.565 5.078 ( -0.535 1.363 -2.637) 3.016 5.535 ( -0.969 -6.909 5.322) 8.775 5.966 ( -16.314 -5.564 -5.283) 18.028 6.627 ( -4.131 1.671 -7.012) 8.308 6.853 ( 4.104 -2.207 4.167) 6.252 7.216 ( 20.588 -0.374 5.302) 21.263 8.072 ( -8.034 1.337 -0.386) 8.153 9.262 ( -2.266 -6.278 -11.678) 13.451 9.752 ( -2.680 -7.505 1.106) 8.046 10.041 ( -1.875 6.582 9.128) 11.409 10.208 ( -3.075 1.989 -2.544) 4.459 10.691 ( 12.036 -5.508 5.482) 14.327 10.938 ( 1.270 6.739 6.639) 9.545 11.240 ( -5.670 -4.495 -2.912) 7.799 11.559 ( 2.289 -4.198 2.883) 5.584 11.807 ( -1.850 3.078 -4.956) 6.121 12.281 ( 3.363 7.504 -1.072) 8.292 12.563 ( -1.121 0.372 4.393) 4.549 12.631 ( 0.927 1.447 2.242) 2.825 12.889 ( -3.750 4.087 0.084) 5.547 13.004 ( 0.124 -5.601 3.283) 6.493 14.460 ( -4.892 -6.652 -3.261) 8.878 14.717 ( 3.514 4.835 -2.847) 6.620 15.844 ( -1.832 -4.759 0.884) 5.176 15.945 ( 2.028 6.646 1.249) 7.060 19.405 ( -2.863 -7.682 -0.894) 8.247 19.563 ( 3.413 0.134 -0.750) 3.497 21.287 ( -1.100 3.324 2.107) 4.087 23.240 ( 4.133 -1.117 -11.421) 12.197 24.250 ( 1.304 -5.934 0.661) 6.112 25.335 ( 0.232 9.426 -4.619) 10.499 27.723 ( -3.090 -4.525 9.010) 10.545 28.065 ( -2.227 5.542 7.388) 9.501 ======================= Grid point 228 (80/429) ======================= q-point: (-0.36 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.629 ( 6.415 19.486 9.298) 22.523 4.319 ( -5.998 18.124 7.955) 20.681 4.781 ( -10.220 5.011 -6.281) 13.000 5.163 ( 5.677 -6.982 1.168) 9.074 5.639 ( -0.527 -3.115 3.927) 5.040 5.982 ( -11.168 -4.253 -4.167) 12.656 6.526 ( -1.699 5.817 -5.925) 8.475 6.903 ( 3.031 -0.287 3.731) 4.816 7.348 ( 20.316 0.223 3.380) 20.596 7.985 ( -10.315 1.723 -2.068) 10.660 9.139 ( -1.332 19.222 -9.286) 21.389 9.749 ( 2.203 5.695 2.360) 6.547 9.970 ( -2.188 1.421 8.731) 9.113 10.105 ( -3.812 5.025 -3.180) 7.064 10.766 ( 8.961 3.124 0.855) 9.528 10.794 ( -5.258 7.495 13.197) 16.062 11.318 ( -2.711 -1.991 -3.244) 4.673 11.635 ( 3.855 -1.843 -4.241) 6.020 11.689 ( 1.871 6.515 2.988) 7.408 12.165 ( 6.319 8.511 -6.065) 12.213 12.337 ( -1.212 16.430 -0.195) 16.476 12.629 ( -3.389 -5.688 3.332) 7.412 12.980 ( -6.655 -9.267 7.101) 13.438 13.263 ( -1.707 -18.830 2.040) 19.017 14.534 ( -3.815 -4.622 -2.557) 6.515 14.635 ( 4.369 4.793 -3.840) 7.537 15.721 ( 2.603 15.409 -0.281) 15.630 15.861 ( -1.155 5.086 1.393) 5.398 19.476 ( 1.349 3.246 -1.154) 3.699 19.585 ( 7.757 -2.166 -0.338) 8.061 21.216 ( -5.863 2.295 2.394) 6.736 23.277 ( 3.972 -2.548 -11.958) 12.856 24.387 ( 7.938 -5.535 0.892) 9.718 25.158 ( -7.272 5.939 -6.759) 11.569 27.807 ( -3.887 -4.410 12.331) 13.660 27.969 ( -2.958 4.270 5.524) 7.582 ======================= Grid point 229 (81/429) ======================= q-point: (-0.29 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( 0.342 24.864 11.827) 27.536 3.878 ( -6.684 26.822 10.688) 29.636 4.648 ( -5.945 2.088 -3.706) 7.310 5.337 ( 7.451 -6.193 -1.550) 9.811 5.636 ( -0.099 4.267 0.107) 4.269 5.938 ( -9.733 2.732 -0.701) 10.133 6.366 ( -1.235 9.044 -3.830) 9.899 6.912 ( 0.934 1.464 2.851) 3.338 7.453 ( 17.194 0.749 1.530) 17.278 7.880 ( -11.540 2.394 -4.326) 12.555 8.564 ( 2.169 36.470 -3.017) 36.658 9.561 ( 3.371 17.438 -0.331) 17.764 9.904 ( 4.662 7.188 -5.260) 10.053 10.016 ( -10.985 -0.073 2.416) 11.247 10.635 ( 3.562 8.542 14.072) 16.843 10.771 ( -3.673 1.971 5.482) 6.887 11.195 ( -0.728 11.710 -5.817) 13.095 11.549 ( 1.042 6.606 0.765) 6.731 11.730 ( 2.100 -3.330 1.948) 4.392 11.887 ( 2.797 18.102 -1.678) 18.393 12.201 ( 2.103 2.911 -1.344) 3.835 12.756 ( 1.978 -9.834 -2.107) 10.250 13.218 ( -9.290 -19.235 7.859) 22.761 13.597 ( -3.554 -16.828 2.038) 17.320 14.559 ( 1.785 0.173 -6.768) 7.002 14.643 ( 0.394 -5.263 0.079) 5.278 15.391 ( 3.000 20.043 -1.531) 20.324 15.683 ( -0.692 13.087 1.851) 13.235 19.315 ( 7.888 15.266 -3.401) 17.517 19.675 ( 4.015 -1.294 2.749) 5.035 21.149 ( -6.892 1.044 2.159) 7.297 23.332 ( 3.778 -3.196 -13.415) 14.298 24.543 ( 19.184 -1.638 0.706) 19.267 25.002 ( -16.657 1.098 -12.348) 20.764 27.853 ( -9.483 0.293 3.630) 10.158 27.931 ( 1.104 -1.902 18.869) 18.997 ======================= Grid point 230 (82/429) ======================= q-point: (-0.21 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -2.520 28.785 17.273) 33.664 3.273 ( -7.591 34.762 13.936) 38.213 4.602 ( -0.844 2.352 0.815) 2.628 5.377 ( 5.466 11.816 -3.919) 13.596 5.478 ( 2.057 11.756 -2.780) 12.254 5.743 ( -6.100 10.297 4.679) 12.850 6.202 ( -6.079 4.460 -3.801) 8.443 6.860 ( -1.886 4.403 1.631) 5.060 7.521 ( 5.255 0.158 -6.329) 8.228 7.666 ( 0.457 17.868 -6.788) 19.120 7.994 ( 2.781 18.316 7.414) 19.954 9.171 ( 5.707 25.612 0.960) 26.257 9.732 ( 1.603 9.332 -18.487) 20.771 9.957 ( -7.519 2.575 4.899) 9.336 10.527 ( -3.171 10.021 15.931) 19.086 10.623 ( -1.861 10.636 -0.057) 10.798 10.915 ( -0.262 14.115 -7.741) 16.101 11.401 ( 2.380 10.553 7.659) 13.255 11.597 ( 0.825 12.188 1.920) 12.366 11.937 ( -4.855 -19.035 1.571) 19.707 12.154 ( 6.542 4.308 2.315) 8.168 13.030 ( 9.812 -15.078 -4.587) 18.565 13.572 ( -10.329 -21.037 4.693) 23.901 13.861 ( -5.906 -14.349 2.278) 15.683 14.556 ( 3.627 2.641 -6.513) 7.908 14.792 ( -2.011 -10.284 1.112) 10.537 15.061 ( 3.068 12.690 -3.713) 13.573 15.402 ( 0.334 15.671 2.704) 15.906 18.978 ( 10.629 25.744 -4.359) 28.191 19.644 ( -3.285 6.523 5.218) 8.975 21.115 ( -3.038 -0.421 1.040) 3.239 23.383 ( 3.414 -2.722 -16.117) 16.698 24.612 ( 20.152 9.137 1.776) 22.198 24.911 ( -12.885 -5.710 -24.903) 28.615 27.763 ( -8.983 2.855 0.858) 9.465 28.074 ( -0.809 -7.633 30.530) 31.480 ======================= Grid point 231 (83/429) ======================= q-point: (-0.14 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -1.850 32.763 20.723) 38.810 2.575 ( -5.020 37.077 24.399) 44.668 4.323 ( -2.715 37.485 8.930) 38.630 5.008 ( 4.114 14.516 3.476) 15.483 5.251 ( 7.434 14.092 -5.266) 16.781 5.504 ( -10.566 18.884 1.061) 21.665 6.088 ( -2.368 2.025 -9.291) 9.800 6.766 ( -2.239 2.495 -0.338) 3.369 7.310 ( -2.692 5.548 -12.594) 14.022 7.588 ( 12.001 3.646 2.169) 12.729 7.846 ( -2.162 3.498 5.709) 7.036 8.683 ( 6.066 29.698 5.123) 30.741 9.536 ( 1.362 8.550 -23.209) 24.772 9.825 ( -1.920 8.748 0.195) 8.959 10.233 ( -10.148 14.524 6.784) 18.972 10.412 ( 0.322 12.430 -0.178) 12.435 10.696 ( -2.594 7.218 -7.474) 10.710 11.181 ( -4.199 14.440 5.492) 16.009 11.516 ( 4.397 -2.447 9.819) 11.034 12.137 ( 9.746 2.843 5.847) 11.715 12.340 ( -7.302 -23.737 4.742) 25.283 13.375 ( 9.823 -14.583 -4.008) 18.034 13.852 ( -1.311 -12.123 -1.097) 12.243 14.085 ( -10.537 -12.172 3.805) 16.542 14.384 ( 0.369 12.713 -3.907) 13.305 14.966 ( -2.721 -5.753 1.149) 6.467 15.060 ( -3.209 -9.956 -7.998) 13.168 15.215 ( 9.388 0.115 5.678) 10.972 18.447 ( 11.641 36.341 -4.421) 38.415 19.394 ( -12.858 16.055 5.873) 21.391 21.133 ( 1.452 -1.584 -0.167) 2.155 23.399 ( 2.190 -0.392 -22.902) 23.009 24.426 ( -14.793 11.013 -9.618) 20.799 24.940 ( 29.086 3.875 -31.286) 42.893 27.656 ( -9.053 2.741 1.299) 9.548 28.346 ( -1.987 -15.687 44.394) 47.126 ======================= Grid point 232 (84/429) ======================= q-point: (-0.07 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 4.150 36.889 19.922) 42.130 2.002 ( 0.985 28.753 43.111) 51.830 3.296 ( -0.409 64.772 22.474) 68.562 4.728 ( -2.104 39.315 -0.680) 39.377 4.961 ( 7.272 6.687 2.362) 10.158 5.158 ( -4.721 3.113 -3.254) 6.524 6.108 ( 2.221 -5.160 -13.774) 14.876 6.721 ( -2.144 2.245 -3.908) 4.990 7.315 ( 3.491 -1.507 -10.352) 11.028 7.538 ( 0.699 3.558 0.227) 3.633 7.810 ( -1.705 0.305 4.843) 5.143 8.225 ( 8.002 21.280 11.284) 25.381 9.264 ( -2.830 16.402 -19.002) 25.261 9.693 ( 9.071 4.252 -8.302) 13.012 9.942 ( -10.683 11.968 -2.276) 16.203 10.204 ( -2.063 8.007 3.707) 9.062 10.542 ( -4.489 5.528 -8.378) 10.996 10.873 ( -6.318 14.242 1.929) 15.700 11.737 ( -0.001 -15.795 16.033) 22.506 12.171 ( 12.157 1.584 5.146) 13.296 12.698 ( -9.202 -17.040 8.196) 21.029 13.600 ( 0.552 -5.895 -5.679) 8.204 13.951 ( -2.218 3.916 -2.250) 5.032 14.167 ( 11.748 -2.013 3.261) 12.357 14.304 ( -17.978 -8.551 2.105) 20.019 14.957 ( 6.592 0.299 -0.341) 6.607 15.308 ( -8.766 -19.096 -1.741) 21.084 15.574 ( 16.531 -23.391 1.307) 28.672 17.753 ( 12.122 42.398 -4.541) 44.330 18.916 ( -23.462 24.102 3.237) 33.791 21.175 ( 1.691 -1.570 -0.676) 2.405 23.225 ( -10.234 18.366 -55.183) 59.053 23.973 ( -31.632 17.006 -13.133) 38.240 24.983 ( 63.568 12.843 -30.646) 71.729 27.570 ( -8.261 1.169 2.596) 8.738 28.864 ( -4.377 -32.646 58.909) 67.492 ======================= Grid point 235 (85/429) ======================= q-point: ( 0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 18.387 0.000 26.692) 32.413 1.871 ( 34.464 0.000 35.091) 49.184 2.886 ( 42.359 0.000 63.150) 76.041 3.565 ( 1.043 0.000 -2.708) 2.902 5.052 ( 2.532 0.000 3.981) 4.718 5.310 ( 15.582 0.000 -5.425) 16.499 6.124 ( -7.943 -0.000 -4.903) 9.334 6.280 ( 0.873 0.000 -19.886) 19.905 7.138 ( 10.198 0.000 7.098) 12.425 7.812 ( 2.471 0.000 -2.980) 3.871 7.903 ( -2.499 -0.000 -3.799) 4.547 8.058 ( 4.151 0.000 0.617) 4.197 8.940 ( -4.694 -0.000 0.083) 4.694 9.044 ( -5.980 -0.000 -2.180) 6.365 9.826 ( 2.001 0.000 -3.874) 4.360 9.993 ( -19.402 -0.000 -13.845) 23.835 10.171 ( 1.678 0.000 2.407) 2.934 10.578 ( 1.108 0.000 -15.324) 15.364 11.841 ( -40.963 -0.000 7.469) 41.639 12.681 ( 20.234 0.000 3.682) 20.566 12.969 ( 0.430 0.000 2.120) 2.163 13.580 ( -6.084 -0.000 -2.999) 6.783 13.857 ( -13.952 -0.000 11.722) 18.223 14.157 ( -3.235 -0.000 4.640) 5.656 14.720 ( -4.191 -0.000 11.879) 12.597 14.837 ( -0.139 -0.000 -1.420) 1.427 15.682 ( -2.759 -0.000 -0.911) 2.906 16.594 ( 12.923 0.000 0.201) 12.925 16.764 ( -0.334 -0.000 0.852) 0.915 18.282 ( 30.556 0.000 -23.299) 38.425 20.097 ( -0.397 -0.000 1.300) 1.359 21.207 ( 0.323 0.000 -1.107) 1.153 23.575 ( -3.637 -0.000 -2.737) 4.552 25.979 ( 47.504 0.000 -39.984) 62.091 27.435 ( -5.900 -0.000 1.198) 6.021 29.809 ( -45.720 -0.000 37.727) 59.276 ======================= Grid point 236 (86/429) ======================= q-point: ( 0.21 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 17.878 -36.312 19.532) 44.941 2.170 ( 27.403 -10.134 32.376) 43.610 3.433 ( 40.344 -19.777 50.959) 67.938 3.917 ( 3.429 -30.767 -2.516) 31.060 5.057 ( -0.874 -1.377 5.820) 6.044 5.375 ( 18.555 0.635 -6.479) 19.664 6.084 ( -1.792 2.656 -13.252) 13.634 6.385 ( -2.781 -13.770 -12.561) 18.845 7.293 ( 7.967 -7.976 2.971) 11.658 7.656 ( -0.735 15.752 -1.514) 15.842 7.820 ( -1.715 2.606 2.042) 3.728 8.194 ( 0.225 -9.862 0.483) 9.876 8.812 ( -2.183 -0.849 -9.293) 9.584 9.311 ( -8.749 -18.890 0.138) 20.819 9.803 ( -5.158 -0.020 -10.229) 11.456 9.925 ( -7.425 -4.322 -4.699) 9.793 10.195 ( 1.940 -2.355 0.135) 3.054 10.633 ( -3.097 -8.694 -10.523) 13.997 11.540 ( -36.692 7.079 15.475) 40.446 12.710 ( 20.491 7.210 0.808) 21.737 12.900 ( -3.688 6.560 2.902) 8.066 13.494 ( -7.513 4.697 1.099) 8.929 13.753 ( -6.541 2.737 6.175) 9.403 14.145 ( 0.852 1.990 2.375) 3.214 14.329 ( -3.081 7.949 2.408) 8.859 15.328 ( 6.008 -12.033 3.361) 13.863 15.476 ( -1.607 16.403 -3.989) 16.957 16.668 ( 7.720 0.559 0.556) 7.760 17.210 ( -4.642 -29.441 15.009) 33.370 17.907 ( 19.345 16.319 -26.273) 36.480 20.771 ( -14.380 -32.699 -3.521) 35.894 21.481 ( 6.466 -38.088 -15.918) 41.784 23.552 ( -3.711 -0.425 -3.171) 4.899 26.154 ( 37.550 0.612 -37.482) 53.059 27.390 ( -6.180 1.138 2.641) 6.816 29.411 ( -30.843 20.030 42.317) 56.064 ======================= Grid point 237 (87/429) ======================= q-point: ( 0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 27.565 -21.252 16.270) 38.421 2.802 ( 17.170 -30.419 28.259) 44.930 4.253 ( 19.605 -37.564 31.102) 52.562 4.502 ( 7.511 -23.320 -2.850) 24.665 5.164 ( -5.737 -9.981 13.102) 17.441 5.559 ( 20.806 -10.992 -10.265) 25.673 5.973 ( 0.375 4.575 -14.792) 15.488 6.584 ( -0.999 -8.106 -8.401) 11.717 7.190 ( -1.442 18.948 -6.799) 20.183 7.642 ( 1.477 -12.877 8.904) 15.725 7.840 ( 2.336 -5.565 3.765) 7.113 8.395 ( -8.718 -13.084 -0.746) 15.740 8.850 ( -2.796 -6.459 -16.641) 18.068 9.552 ( -12.791 -11.303 -0.275) 17.072 9.828 ( 1.096 -8.145 -5.005) 9.622 10.037 ( -1.058 -11.154 -6.151) 12.781 10.309 ( 2.674 -8.429 -2.798) 9.275 10.805 ( -5.554 -12.710 -3.625) 14.337 11.299 ( -25.559 0.624 19.131) 31.932 12.642 ( 6.895 12.771 -7.363) 16.275 12.759 ( 3.172 4.670 12.782) 13.973 13.323 ( -8.361 8.673 4.074) 12.717 13.750 ( -2.265 -4.104 -3.144) 5.645 14.077 ( 2.284 5.146 -2.548) 6.180 14.341 ( -1.956 -6.431 4.285) 7.972 15.078 ( -1.897 21.435 -3.968) 21.882 15.387 ( 11.148 9.378 -1.180) 14.616 16.384 ( 19.807 32.330 7.364) 38.624 17.695 ( -31.134 -36.321 8.726) 48.628 18.249 ( 13.757 -30.596 -18.559) 38.338 21.020 ( -7.111 -10.164 3.509) 12.891 22.340 ( 0.997 -43.954 -26.502) 51.335 23.539 ( -4.656 -1.657 -2.455) 5.518 26.238 ( 28.959 4.506 -31.929) 43.340 27.348 ( -6.078 -0.227 5.504) 8.203 28.980 ( -16.491 18.097 38.447) 45.581 ======================= Grid point 238 (88/429) ======================= q-point: ( 0.36 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 24.848 -21.701 11.568) 34.960 3.468 ( 18.833 -23.043 28.256) 41.037 4.830 ( 4.513 -10.120 -1.886) 11.240 5.004 ( -5.953 -28.637 5.982) 29.855 5.373 ( 3.302 -7.068 12.163) 14.450 5.832 ( -6.691 -5.822 -12.681) 15.475 6.057 ( 23.225 -17.977 -1.080) 29.390 6.581 ( -2.970 5.718 -4.352) 7.775 6.899 ( -1.606 6.858 -3.264) 7.763 7.885 ( 2.881 -9.395 5.969) 11.498 8.118 ( 6.546 -19.470 3.992) 20.925 8.519 ( -20.357 -10.165 -15.593) 27.584 9.022 ( -0.869 -16.337 -6.342) 17.546 9.656 ( -9.559 -9.682 3.318) 14.004 10.018 ( 4.197 -7.940 -4.008) 9.835 10.316 ( 0.240 -18.983 -8.949) 20.988 10.512 ( 2.239 -11.762 -2.070) 12.151 10.993 ( -10.266 -11.970 7.282) 17.369 11.343 ( -9.683 -12.472 11.610) 19.598 12.345 ( -1.653 16.888 0.383) 16.973 12.758 ( 5.731 1.920 6.039) 8.544 13.100 ( -5.398 11.280 6.393) 14.045 13.804 ( 2.944 0.466 -8.448) 8.958 13.980 ( 2.165 6.067 -4.196) 7.688 14.409 ( -1.428 6.167 2.605) 6.846 14.763 ( -3.304 0.907 -2.216) 4.080 15.194 ( 5.803 14.049 -2.902) 15.475 15.995 ( 14.663 18.505 7.559) 24.790 18.209 ( -27.927 -33.849 -0.588) 43.887 18.818 ( 5.285 -23.943 -4.285) 24.891 21.186 ( 1.570 -8.356 3.643) 9.249 22.952 ( 3.464 -23.995 -23.593) 33.828 23.571 ( -7.041 -6.712 -0.802) 9.760 26.198 ( 21.680 9.757 -23.187) 33.209 27.362 ( -4.605 -3.429 6.576) 8.729 28.681 ( -8.600 13.063 29.609) 33.485 ======================= Grid point 239 (89/429) ======================= q-point: ( 0.43 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( 22.286 -17.249 10.840) 30.194 3.995 ( 16.664 -16.209 24.900) 34.065 4.999 ( -2.491 -8.468 0.606) 8.847 5.277 ( -7.402 -6.405 -4.677) 10.849 5.386 ( 2.926 5.941 -5.845) 8.832 5.850 ( -21.802 -5.828 -9.524) 24.495 6.404 ( 5.239 -2.144 -4.810) 7.429 6.662 ( 8.787 -11.786 19.489) 24.412 6.867 ( 8.412 -5.008 -2.377) 10.074 8.047 ( 1.759 -4.973 4.248) 6.773 8.503 ( -12.739 -14.893 -24.814) 31.620 8.657 ( -0.985 -23.425 2.733) 23.605 9.379 ( -2.407 -21.328 1.694) 21.530 9.868 ( -2.496 -15.095 8.921) 17.711 10.141 ( 4.300 -3.878 -5.644) 8.086 10.602 ( -2.850 -12.867 -10.010) 16.550 10.814 ( 1.796 -18.424 4.398) 19.027 11.208 ( -6.659 -14.109 8.302) 17.673 11.596 ( -2.699 -14.141 3.672) 14.858 12.053 ( -1.509 11.709 4.442) 12.614 12.754 ( -2.617 1.386 -2.479) 3.862 12.884 ( 2.246 10.577 11.983) 16.140 13.610 ( 7.947 21.993 -5.141) 23.943 13.855 ( 5.684 9.134 -4.957) 11.846 14.223 ( -8.114 3.708 -6.180) 10.853 14.907 ( -3.466 -2.716 8.400) 9.484 15.037 ( 1.728 -5.802 -7.923) 9.971 15.885 ( 8.504 2.896 5.693) 10.636 18.623 ( -21.180 -25.777 -3.336) 33.528 19.184 ( -0.195 -14.148 1.298) 14.209 21.343 ( 6.206 -4.477 2.944) 8.199 23.199 ( 5.574 -5.263 -17.259) 18.884 23.732 ( -7.044 -13.835 -1.485) 15.596 26.049 ( 15.456 13.472 -14.512) 25.119 27.439 ( -2.976 -5.301 6.462) 8.872 28.480 ( -4.528 9.630 21.005) 23.547 ======================= Grid point 240 (90/429) ======================= q-point: ( 0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.053 ( 21.861 -7.469 14.110) 27.070 4.356 ( 9.514 -9.982 17.168) 22.020 5.123 ( -10.596 -5.064 -1.323) 11.817 5.202 ( -0.817 5.959 -9.024) 10.845 5.281 ( 2.252 2.825 -5.378) 6.479 5.781 ( -27.369 -5.213 -5.449) 28.389 6.511 ( 2.048 -6.497 -4.382) 8.100 6.744 ( -1.809 -1.341 7.176) 7.521 7.152 ( 19.850 -5.795 8.427) 22.329 8.089 ( -6.283 -0.554 0.068) 6.308 8.713 ( -6.892 -20.036 -20.303) 29.346 9.129 ( 0.260 -22.456 3.557) 22.738 9.755 ( -4.471 -18.327 4.096) 19.304 10.201 ( 5.824 -12.603 9.625) 16.894 10.216 ( 5.439 -6.539 -3.888) 9.352 10.785 ( -4.461 -11.132 -5.387) 13.147 11.156 ( 0.370 -14.632 7.061) 16.251 11.385 ( -3.320 -3.664 2.071) 5.361 11.772 ( 0.210 -3.442 -3.690) 5.051 12.010 ( -3.351 -10.116 8.900) 13.884 12.605 ( -2.883 9.079 0.309) 9.531 12.846 ( 1.064 -0.525 6.920) 7.021 13.181 ( 7.158 24.583 -0.707) 25.614 13.639 ( 7.315 17.531 -5.117) 19.674 14.174 ( -8.488 -4.975 -6.424) 11.750 14.842 ( -0.394 3.165 0.066) 3.190 15.333 ( -1.853 -18.568 -0.246) 18.662 15.949 ( 3.829 -3.381 3.595) 6.247 18.932 ( -13.976 -18.864 -3.348) 23.715 19.386 ( -1.554 -8.266 2.299) 8.719 21.418 ( 6.042 1.062 2.264) 6.539 23.237 ( 4.661 -0.035 -12.823) 13.644 23.943 ( -3.832 -11.426 -1.448) 12.139 25.830 ( 9.926 14.996 -8.682) 19.969 27.538 ( -2.275 -5.304 6.761) 8.889 28.328 ( -2.695 8.037 14.340) 16.658 ======================= Grid point 241 (91/429) ======================= q-point: ( 0.57 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.191 ( 18.270 8.445 14.552) 24.837 4.578 ( 1.571 -7.014 9.637) 12.022 4.951 ( -9.039 7.788 -9.470) 15.233 5.118 ( 0.263 3.601 -7.128) 7.990 5.386 ( -0.545 -8.820 5.472) 10.394 5.735 ( -21.066 -6.336 -0.770) 22.012 6.585 ( -2.473 -2.419 -6.639) 7.487 6.816 ( 1.605 -4.233 4.877) 6.654 7.327 ( 18.843 -1.048 5.097) 19.548 8.026 ( -11.482 0.489 -4.480) 12.334 9.034 ( 3.287 -15.991 -7.577) 17.998 9.495 ( -3.151 -16.658 2.653) 17.160 9.977 ( -10.131 -8.352 4.322) 13.824 10.254 ( 5.959 0.834 -4.260) 7.373 10.590 ( 12.146 -14.398 9.119) 20.928 10.950 ( -2.849 -8.836 -2.568) 9.633 11.249 ( -2.966 8.763 0.192) 9.253 11.439 ( -1.497 -9.250 6.422) 11.360 11.793 ( -0.908 -0.906 -3.523) 3.750 12.307 ( -2.423 -17.142 2.001) 17.427 12.452 ( 0.977 5.132 4.514) 6.904 12.776 ( 0.772 14.478 0.141) 14.499 12.922 ( 0.018 0.224 6.622) 6.626 13.274 ( 5.300 23.030 -4.795) 24.114 14.268 ( -5.626 -9.241 -4.396) 11.678 14.792 ( 0.779 2.491 -2.258) 3.451 15.643 ( -1.750 -14.477 0.873) 14.609 16.018 ( 1.878 -0.491 1.923) 2.733 19.172 ( -6.972 -13.937 -2.214) 15.740 19.511 ( -0.410 -5.551 1.114) 5.676 21.386 ( 2.965 5.190 1.958) 6.289 23.235 ( 4.190 0.194 -11.376) 12.124 24.112 ( -1.146 -8.545 -0.201) 8.624 25.577 ( 4.736 14.647 -5.629) 16.390 27.633 ( -2.391 -4.802 7.630) 9.327 28.193 ( -2.233 7.301 9.825) 12.443 ======================= Grid point 242 (92/429) ======================= q-point: (-0.36 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.044 ( 9.303 17.004 10.167) 21.887 4.572 ( -1.578 9.159 5.598) 10.849 4.799 ( -8.393 3.758 -5.828) 10.887 5.085 ( 2.115 -2.730 -0.683) 3.520 5.549 ( -0.674 -7.052 6.724) 9.768 5.785 ( -11.071 -8.361 -0.592) 13.886 6.570 ( -1.616 1.116 -6.331) 6.629 6.897 ( 0.865 -2.513 2.825) 3.879 7.461 ( 18.731 -0.747 2.229) 18.878 7.932 ( -13.239 0.682 -5.939) 14.526 9.264 ( 6.900 -4.168 -2.522) 8.447 9.728 ( -2.869 -8.861 2.619) 9.675 9.983 ( -10.496 1.179 7.841) 13.154 10.208 ( 3.771 6.128 -4.735) 8.613 10.830 ( 6.750 -0.157 1.852) 7.002 10.983 ( 2.938 8.239 7.161) 11.305 11.145 ( -7.794 -9.350 -3.477) 12.660 11.598 ( 2.356 -5.470 2.032) 6.293 11.773 ( -0.802 1.972 -3.193) 3.837 12.321 ( 3.924 6.718 -1.248) 7.880 12.564 ( -1.780 3.330 4.733) 6.055 12.659 ( 1.851 -4.985 2.207) 5.758 12.845 ( -3.080 11.898 -0.257) 12.293 13.011 ( -1.394 -5.204 3.933) 6.670 14.398 ( -3.294 -7.343 -2.815) 8.526 14.734 ( 1.518 3.985 -3.612) 5.588 15.833 ( -0.851 -5.452 1.444) 5.704 15.971 ( 1.469 6.960 0.804) 7.158 19.372 ( -1.997 -10.039 -0.731) 10.262 19.597 ( 2.586 -2.848 -0.859) 3.942 21.282 ( -1.076 6.267 2.121) 6.703 23.243 ( 3.844 -0.972 -11.508) 12.172 24.269 ( 1.433 -8.499 0.368) 8.627 25.320 ( 0.297 12.969 -4.362) 13.686 27.720 ( -3.161 -4.462 8.990) 10.522 28.067 ( -2.190 6.182 7.405) 9.891 ======================= Grid point 243 (93/429) ======================= q-point: (-0.29 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.725 ( 2.323 21.904 10.050) 24.211 4.311 ( -1.126 19.496 8.879) 21.452 4.654 ( -6.279 3.360 -3.750) 8.048 5.223 ( 3.506 -8.133 0.257) 8.860 5.656 ( 0.247 -2.978 5.447) 6.213 5.863 ( -5.818 -3.919 -2.213) 7.356 6.503 ( 0.784 4.802 -4.349) 6.526 6.930 ( -0.612 -0.405 1.819) 1.961 7.563 ( 14.872 1.200 -2.690) 15.161 7.831 ( -12.169 0.593 -3.751) 12.748 9.151 ( 5.818 21.108 -0.826) 21.911 9.772 ( 0.419 3.509 2.477) 4.316 9.943 ( -7.480 -1.475 9.859) 12.463 10.070 ( 1.689 8.522 -8.979) 12.494 10.738 ( -8.894 4.035 9.061) 13.322 10.880 ( 5.459 7.859 1.301) 9.657 11.272 ( -1.966 -2.682 -3.680) 4.960 11.622 ( -0.460 3.071 -4.845) 5.755 11.763 ( 4.589 0.169 6.062) 7.604 12.226 ( 7.880 6.408 -4.870) 11.264 12.335 ( 1.095 19.276 -1.385) 19.357 12.614 ( -1.940 -4.849 4.389) 6.822 12.917 ( -7.737 -9.500 5.692) 13.509 13.252 ( -1.985 -17.624 3.209) 18.024 14.490 ( -1.795 -4.646 -2.018) 5.374 14.657 ( 2.262 3.634 -4.605) 6.288 15.747 ( 1.977 14.977 -0.521) 15.116 15.861 ( -0.326 5.068 2.658) 5.732 19.480 ( 0.221 -0.372 -0.388) 0.581 19.661 ( 5.216 -2.460 -1.463) 5.950 21.166 ( -3.980 4.408 2.360) 6.390 23.274 ( 3.453 -2.327 -12.733) 13.396 24.462 ( 3.979 -10.440 -1.260) 11.244 25.077 ( -2.120 11.386 -3.813) 12.193 27.788 ( -5.780 -2.866 8.656) 10.796 27.978 ( -0.622 3.112 9.382) 9.904 ======================= Grid point 244 (94/429) ======================= q-point: (-0.21 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.302 ( 0.202 25.689 14.583) 29.540 3.859 ( -4.119 28.146 11.662) 30.743 4.615 ( 2.063 -0.162 0.594) 2.153 5.384 ( 1.612 -6.262 -4.198) 7.709 5.673 ( 6.102 4.255 2.758) 7.934 5.832 ( -7.402 2.547 -0.601) 7.851 6.363 ( 1.898 10.879 -0.968) 11.085 6.910 ( -2.539 1.886 0.661) 3.231 7.540 ( -3.270 3.483 -13.430) 14.255 7.785 ( 1.413 0.888 3.350) 3.743 8.629 ( 7.630 34.843 4.389) 35.938 9.605 ( 3.475 16.228 1.801) 16.693 9.858 ( -4.342 8.143 -17.861) 20.104 9.961 ( -2.399 0.970 9.199) 9.556 10.644 ( -12.059 3.291 15.741) 20.100 10.772 ( 2.369 6.316 -1.450) 6.900 11.156 ( -1.187 11.471 -7.337) 13.668 11.558 ( 0.820 3.334 0.434) 3.461 11.750 ( -0.736 1.884 3.189) 3.776 11.911 ( 2.209 19.069 -0.686) 19.208 12.279 ( 9.521 1.970 4.163) 10.576 12.786 ( 4.929 -13.645 -3.894) 15.022 13.123 ( -11.528 -17.560 6.659) 22.036 13.569 ( -2.623 -15.820 2.015) 16.162 14.541 ( -0.181 -2.011 -5.034) 5.424 14.655 ( 1.964 -3.663 -1.992) 4.609 15.415 ( 1.904 19.986 -1.288) 20.118 15.695 ( 0.687 12.895 3.811) 13.464 19.376 ( 4.398 12.131 -2.035) 13.063 19.707 ( -0.316 0.939 0.763) 1.251 21.095 ( -3.282 0.934 1.918) 3.915 23.318 ( 3.019 -2.869 -14.895) 15.466 24.674 ( -6.620 -9.344 -10.729) 15.692 24.871 ( 11.227 8.905 0.465) 14.337 27.760 ( -8.466 1.953 3.157) 9.244 28.016 ( 0.886 -3.744 19.730) 20.102 ======================= Grid point 245 (95/429) ======================= q-point: (-0.14 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.827 ( 2.082 28.641 20.142) 35.076 3.272 ( -2.390 33.999 16.806) 38.001 4.642 ( 5.855 2.469 5.284) 8.265 5.368 ( -2.301 8.285 -6.320) 10.671 5.534 ( 7.074 18.328 -4.429) 20.139 5.719 ( -0.762 5.429 8.812) 10.378 6.150 ( -1.052 9.026 -2.546) 9.437 6.829 ( -3.580 4.640 -0.903) 5.930 7.362 ( -12.507 6.443 -18.632) 23.348 7.788 ( 9.023 3.698 4.640) 10.799 8.090 ( 8.330 25.081 9.644) 28.133 9.241 ( 4.334 24.402 3.992) 25.103 9.635 ( -3.561 8.133 -24.418) 25.982 9.924 ( -2.120 3.420 5.122) 6.513 10.459 ( -13.800 12.123 10.381) 21.099 10.635 ( 1.439 9.380 -0.222) 9.492 10.863 ( -2.510 14.628 -9.874) 17.827 11.417 ( -3.276 11.304 5.925) 13.177 11.621 ( 0.647 10.435 4.467) 11.369 11.906 ( -0.569 -17.105 1.505) 17.181 12.282 ( 10.429 4.222 7.815) 13.700 13.126 ( 9.043 -16.396 -4.973) 19.373 13.457 ( -11.427 -23.220 3.484) 26.113 13.816 ( -2.636 -11.957 0.592) 12.258 14.553 ( 0.446 1.523 -7.133) 7.308 14.780 ( -0.210 -7.976 0.985) 8.039 15.080 ( 2.053 12.894 -3.088) 13.417 15.442 ( 3.477 14.041 5.840) 15.599 19.069 ( 7.028 23.734 -2.204) 24.851 19.581 ( -9.732 9.962 1.740) 14.035 21.100 ( -0.122 -1.803 0.904) 2.020 23.350 ( 2.324 -1.847 -18.883) 19.114 24.496 ( -21.191 9.461 -13.006) 26.603 25.042 ( 30.752 -5.937 -7.744) 32.263 27.661 ( -8.869 3.172 1.752) 9.581 28.183 ( -0.347 -8.967 30.103) 31.413 ======================= Grid point 246 (96/429) ======================= q-point: (-0.07 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 7.788 32.930 19.539) 39.075 2.670 ( 3.189 32.715 30.989) 45.175 4.388 ( 6.821 38.329 12.063) 40.757 5.069 ( 2.579 15.830 4.821) 16.748 5.232 ( -5.177 8.771 -6.179) 11.913 5.500 ( 8.546 25.282 1.644) 26.738 6.043 ( 0.248 0.461 -9.689) 9.703 6.734 ( -2.178 1.860 -2.655) 3.906 7.194 ( -7.329 -1.258 -12.796) 14.800 7.740 ( 9.643 8.898 3.381) 13.550 7.850 ( -0.033 6.398 6.911) 9.418 8.773 ( 4.263 27.940 8.930) 29.641 9.417 ( -5.370 8.101 -26.002) 27.759 9.833 ( 3.563 6.037 -3.530) 7.849 10.127 ( -11.246 14.577 5.608) 19.246 10.408 ( -0.538 13.629 -1.078) 13.682 10.605 ( -6.341 8.206 -10.922) 15.061 11.145 ( -3.738 15.395 4.045) 16.350 11.561 ( -4.770 -3.305 13.456) 14.654 12.289 ( 7.596 -2.208 1.840) 8.122 12.305 ( 2.248 -17.165 9.734) 19.861 13.421 ( -0.422 -11.869 -2.842) 12.212 13.818 ( -4.486 -16.350 -0.817) 16.974 14.013 ( -1.152 -10.863 -1.618) 11.043 14.380 ( 1.080 12.843 -1.808) 13.015 14.922 ( -4.813 -7.674 0.473) 9.071 15.028 ( 2.285 -4.044 -6.379) 7.891 15.375 ( 12.935 -5.423 7.994) 16.144 18.553 ( 8.116 35.018 -0.676) 35.953 19.218 ( -18.786 19.906 -0.848) 27.384 21.143 ( 0.360 -2.005 0.335) 2.064 23.307 ( -0.734 4.348 -30.486) 30.803 24.097 ( -24.526 15.728 -11.601) 31.361 25.315 ( 41.836 -2.726 -20.602) 46.714 27.557 ( -8.924 2.465 2.375) 9.558 28.482 ( -3.177 -17.309 42.642) 46.130 ======================= Grid point 250 (97/429) ======================= q-point: ( 0.21 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 19.542 0.000 22.642) 29.909 2.361 ( 26.513 0.000 37.949) 46.293 3.567 ( 1.141 0.000 -3.306) 3.497 3.664 ( 52.521 0.000 47.929) 71.103 5.041 ( -8.722 -0.000 8.635) 12.273 5.531 ( 27.322 0.000 -12.746) 30.149 6.021 ( -6.939 -0.000 -3.342) 7.702 6.212 ( 0.257 0.000 -19.816) 19.817 7.276 ( 9.428 0.000 5.265) 10.798 7.830 ( 1.774 0.000 -1.241) 2.165 7.854 ( -2.498 -0.000 -5.832) 6.345 8.084 ( 0.618 0.000 -1.226) 1.373 8.887 ( -4.042 -0.000 -1.959) 4.492 8.966 ( -6.135 -0.000 -1.219) 6.255 9.703 ( -14.272 -0.000 -11.615) 18.401 9.874 ( -0.338 -0.000 2.436) 2.460 10.199 ( 1.550 0.000 1.997) 2.527 10.484 ( -5.617 -0.000 -16.346) 17.284 11.400 ( -40.144 -0.000 12.789) 42.132 12.903 ( 7.370 0.000 7.563) 10.561 12.926 ( 0.113 0.000 -11.895) 11.895 13.508 ( -5.393 -0.000 5.575) 7.756 13.789 ( -3.627 -0.000 6.031) 7.038 14.166 ( 0.776 0.000 5.415) 5.471 14.694 ( -6.582 -0.000 9.389) 11.466 14.830 ( -0.275 -0.000 -1.395) 1.422 15.654 ( -1.287 -0.000 -0.960) 1.606 16.764 ( -0.332 -0.000 0.837) 0.901 16.773 ( 16.036 0.000 2.914) 16.298 18.538 ( 28.583 0.000 -25.313) 38.180 20.097 ( -0.381 -0.000 1.317) 1.371 21.207 ( 0.335 0.000 -1.104) 1.154 23.523 ( -2.845 -0.000 -4.484) 5.311 26.294 ( 32.301 0.000 -36.694) 48.886 27.373 ( -5.604 -0.000 1.723) 5.863 29.478 ( -36.022 -0.000 38.743) 52.902 ======================= Grid point 251 (98/429) ======================= q-point: ( 0.29 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 17.452 -37.696 17.463) 45.062 2.597 ( 25.078 -5.624 30.469) 39.861 3.836 ( 3.400 -23.264 8.275) 24.925 4.215 ( 41.827 -17.280 29.768) 54.168 5.012 ( -10.281 -2.930 9.361) 14.210 5.595 ( 22.710 2.805 -10.441) 25.152 6.025 ( 1.125 1.564 -13.055) 13.197 6.315 ( -1.525 -14.743 -11.520) 18.772 7.390 ( 7.415 -3.245 -0.304) 8.099 7.645 ( -1.032 15.071 1.538) 15.184 7.812 ( -1.047 0.322 1.847) 2.147 8.165 ( -3.568 -7.240 -4.441) 9.213 8.756 ( -1.563 1.021 -8.648) 8.847 9.208 ( -9.151 -17.180 0.613) 19.475 9.657 ( -8.450 -5.540 -7.438) 12.546 9.907 ( 0.347 -3.422 0.946) 3.567 10.213 ( 1.454 -2.074 -2.838) 3.804 10.535 ( -5.484 -10.459 -10.169) 15.584 11.181 ( -34.581 1.166 16.922) 38.517 12.799 ( -14.468 4.798 0.519) 15.251 12.923 ( 16.306 6.434 -5.000) 18.229 13.447 ( -2.869 5.697 8.764) 10.840 13.729 ( -1.226 3.650 3.409) 5.143 14.180 ( 3.048 1.699 2.988) 4.594 14.306 ( -1.435 8.629 0.783) 8.782 15.382 ( 0.802 -19.180 4.889) 19.809 15.450 ( -0.430 15.799 -4.593) 16.459 16.714 ( 2.099 -7.056 -2.723) 7.849 17.208 ( -5.587 -12.674 18.453) 23.072 18.113 ( 30.135 23.990 -26.318) 46.651 20.626 ( -10.216 -29.603 0.783) 31.326 21.508 ( 6.542 -34.293 -11.603) 36.789 23.499 ( -2.610 -0.134 -4.756) 5.427 26.389 ( 26.681 1.320 -34.580) 43.696 27.334 ( -5.497 0.904 3.949) 6.828 29.226 ( -26.531 12.124 37.296) 47.349 ======================= Grid point 252 (99/429) ======================= q-point: ( 0.36 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 26.248 -22.348 14.909) 37.559 3.102 ( 17.371 -30.436 21.491) 41.109 4.387 ( 0.147 -30.364 5.174) 30.802 4.700 ( 7.030 -9.748 9.254) 15.169 5.187 ( 5.305 -15.561 21.271) 26.884 5.701 ( 7.264 -3.827 -11.315) 13.980 5.991 ( 14.911 -1.266 -12.149) 19.276 6.541 ( -1.081 -8.692 -7.232) 11.359 7.155 ( -0.904 20.048 -4.529) 20.573 7.698 ( 2.200 -11.626 7.742) 14.140 7.890 ( 3.686 -8.763 4.267) 10.420 8.238 ( -13.081 -6.167 -10.451) 17.843 8.785 ( -0.078 -6.801 -10.407) 12.432 9.412 ( -10.907 -10.942 1.971) 15.575 9.825 ( 0.772 -14.208 -2.623) 14.469 10.024 ( 1.208 -9.435 -4.007) 10.322 10.313 ( 0.591 -8.561 -7.511) 11.404 10.721 ( -6.319 -12.433 -0.234) 13.949 11.089 ( -21.756 -7.482 18.278) 29.383 12.575 ( -12.431 10.250 -0.639) 16.124 12.880 ( 10.331 5.815 -1.241) 11.919 13.301 ( -0.389 9.898 11.641) 15.285 13.721 ( -0.710 -3.430 -3.563) 4.996 14.107 ( 4.234 6.035 -2.684) 7.845 14.339 ( -0.556 -7.087 3.370) 7.867 15.047 ( -1.209 22.151 -3.065) 22.395 15.491 ( 7.565 9.994 -1.675) 12.646 16.613 ( 14.168 30.663 7.320) 34.562 17.366 ( -26.938 -32.447 1.249) 42.190 18.374 ( 15.707 -24.695 -10.396) 31.058 20.959 ( -6.018 -15.524 4.867) 17.346 22.293 ( 4.965 -40.951 -19.310) 45.547 23.482 ( -3.005 -0.831 -4.080) 5.135 26.412 ( 21.431 4.980 -30.660) 37.737 27.308 ( -4.783 -0.804 7.261) 8.732 28.920 ( -16.298 13.015 32.313) 38.459 ======================= Grid point 253 (100/429) ======================= q-point: ( 0.43 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.463 ( 25.315 -19.176 10.758) 33.530 3.790 ( 19.765 -24.057 20.804) 37.446 4.813 ( -10.871 -7.035 -0.957) 12.984 4.921 ( -4.607 -24.977 -2.039) 25.480 5.458 ( 2.436 -1.235 6.515) 7.064 5.681 ( -8.541 0.195 -7.426) 11.320 6.329 ( 17.921 -15.397 -2.584) 23.768 6.589 ( 8.131 -1.334 7.161) 10.917 6.876 ( -0.913 5.913 -2.900) 6.649 7.933 ( 1.785 -9.718 3.890) 10.618 8.186 ( -8.438 -7.554 -14.974) 18.775 8.239 ( -4.782 -18.257 -0.903) 18.894 8.998 ( 0.295 -16.882 -3.158) 17.178 9.584 ( -5.866 -13.317 6.280) 15.849 10.056 ( 4.157 -7.962 -3.829) 9.764 10.286 ( 0.766 -16.549 -9.957) 19.329 10.498 ( -3.087 -14.034 -3.004) 14.680 10.917 ( -8.173 -13.177 11.681) 19.413 11.287 ( -6.400 -16.806 8.644) 19.953 12.287 ( -8.668 13.010 1.692) 15.724 12.810 ( 3.252 5.368 -3.627) 7.249 13.132 ( 2.732 11.159 14.475) 18.480 13.788 ( -0.043 -2.629 -7.357) 7.812 14.015 ( 6.316 6.033 -4.824) 9.978 14.401 ( -1.378 10.549 2.464) 10.920 14.721 ( -2.446 0.013 -2.104) 3.226 15.234 ( 3.063 16.728 -3.246) 17.313 16.171 ( 10.750 20.836 5.705) 24.130 17.904 ( -22.142 -35.709 -3.003) 42.124 18.867 ( 4.398 -20.458 -0.066) 20.926 21.219 ( 1.378 -12.115 4.227) 12.905 22.927 ( 5.686 -25.420 -18.707) 32.069 23.499 ( -4.515 -5.013 -1.907) 7.011 26.330 ( 16.031 9.939 -23.457) 30.100 27.345 ( -3.097 -3.924 8.288) 9.679 28.676 ( -9.687 10.620 25.012) 28.849 ======================= Grid point 254 (101/429) ======================= q-point: ( 0.50 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.958 ( 22.438 -16.252 8.632) 29.019 4.295 ( 18.986 -12.501 21.170) 31.064 4.876 ( -16.795 -9.445 -5.311) 19.987 5.238 ( 4.166 -7.087 -5.096) 9.672 5.363 ( -7.577 3.023 -6.671) 10.538 5.551 ( -17.888 4.474 -5.609) 19.273 6.438 ( 2.816 -2.119 -0.452) 3.553 6.731 ( -3.894 0.579 9.792) 10.554 7.097 ( 23.721 -16.002 8.715) 29.912 8.028 ( -9.525 -0.690 -4.751) 10.666 8.253 ( -5.801 -18.356 -18.895) 26.975 8.705 ( 1.996 -23.734 3.590) 24.086 9.372 ( 0.102 -20.839 3.688) 21.163 9.890 ( 0.534 -19.171 8.250) 20.877 10.184 ( 5.988 -3.907 -5.673) 9.127 10.506 ( -7.000 -12.098 -8.673) 16.450 10.832 ( -1.303 -19.851 4.514) 20.400 11.185 ( -2.788 -15.346 7.785) 17.432 11.578 ( -2.400 -14.015 2.576) 14.451 12.033 ( -4.630 8.993 4.583) 11.104 12.705 ( -1.683 5.312 -5.515) 7.840 12.978 ( 3.561 9.413 13.899) 17.160 13.679 ( 7.072 18.561 -3.450) 20.160 13.902 ( 4.125 8.202 -4.114) 10.061 14.118 ( -4.568 7.501 -7.075) 11.277 14.882 ( -5.718 -4.289 7.945) 10.687 15.028 ( 1.990 -3.739 -8.472) 9.472 15.988 ( 5.756 5.570 3.620) 8.790 18.394 ( -15.359 -28.304 -3.158) 32.357 19.189 ( -0.185 -12.664 2.863) 12.985 21.417 ( 4.268 -5.682 3.104) 7.755 23.208 ( 6.144 -5.212 -15.096) 17.111 23.662 ( -4.026 -14.529 -1.166) 15.121 26.145 ( 10.860 13.793 -15.833) 23.641 27.438 ( -1.784 -5.373 8.106) 9.887 28.492 ( -5.935 8.599 17.917) 20.740 ======================= Grid point 255 (102/429) ======================= q-point: ( 0.57 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.355 ( 20.191 -9.660 9.547) 24.334 4.516 ( 4.843 0.066 13.082) 13.950 4.937 ( -9.970 -4.279 -9.779) 14.606 5.181 ( -1.068 3.917 -7.599) 8.616 5.295 ( -2.675 3.171 -0.058) 4.149 5.481 ( -16.332 -8.827 1.805) 18.652 6.506 ( -0.374 -3.257 -3.198) 4.580 6.745 ( -2.996 -3.509 6.107) 7.654 7.411 ( 18.723 -3.358 7.064) 20.291 7.941 ( -14.519 -0.201 -9.972) 17.615 8.668 ( 7.166 -24.209 -6.218) 26.001 9.125 ( -3.011 -20.583 2.627) 20.968 9.722 ( -3.515 -14.733 6.779) 16.594 10.258 ( 4.999 -3.481 -7.422) 9.602 10.329 ( 8.659 -19.990 7.785) 23.134 10.679 ( -9.607 -12.919 -3.947) 16.577 11.174 ( -1.964 -15.650 8.044) 17.706 11.375 ( 0.425 -1.501 0.037) 1.560 11.762 ( 0.618 -4.672 -3.568) 5.911 11.992 ( -5.287 -9.380 8.437) 13.679 12.574 ( -2.009 6.170 -1.973) 6.782 12.887 ( 0.742 4.035 8.498) 9.437 13.256 ( 5.340 25.010 0.800) 25.586 13.705 ( 6.793 17.966 -4.633) 19.758 14.064 ( -5.500 -6.241 -6.386) 10.487 14.823 ( -2.443 2.015 -0.820) 3.271 15.314 ( -0.971 -18.457 -0.606) 18.492 15.996 ( 2.031 -1.925 2.090) 3.492 18.786 ( -8.719 -21.550 -2.422) 23.373 19.380 ( -1.016 -8.039 2.555) 8.496 21.483 ( 3.474 1.597 2.286) 4.454 23.245 ( 4.580 0.138 -11.701) 12.566 23.909 ( -1.279 -12.349 -1.033) 12.458 25.888 ( 6.204 15.801 -10.245) 19.828 27.544 ( -1.486 -5.034 8.191) 9.729 28.339 ( -4.059 7.744 12.312) 15.101 ======================= Grid point 256 (103/429) ======================= q-point: ( 0.64 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.368 ( -2.044 11.480 2.779) 11.987 4.640 ( 6.415 -4.823 8.469) 11.668 4.843 ( -0.644 7.017 -4.239) 8.224 5.095 ( 0.510 2.817 -6.540) 7.139 5.375 ( -8.346 -10.618 6.698) 15.075 5.586 ( -2.190 -7.589 6.056) 9.953 6.536 ( -1.904 -1.872 -5.827) 6.409 6.827 ( -2.202 -4.904 2.514) 5.935 7.554 ( 17.188 -0.974 3.269) 17.523 7.838 ( -15.146 -0.116 -10.023) 18.163 9.120 ( 12.059 -16.452 2.061) 20.503 9.460 ( -4.803 -16.669 3.461) 17.689 9.896 ( -6.092 -5.622 6.539) 10.558 10.291 ( 3.185 0.780 -7.564) 8.245 10.744 ( 8.233 -14.281 3.662) 16.886 10.863 ( -8.412 -12.807 -1.337) 15.381 11.235 ( 0.084 12.358 0.429) 12.365 11.451 ( -0.934 -11.258 6.555) 13.061 11.776 ( 0.053 0.424 -2.930) 2.961 12.274 ( -4.044 -16.424 -0.033) 16.915 12.480 ( 0.430 1.028 4.935) 5.060 12.782 ( 0.412 13.378 1.953) 13.526 12.948 ( -0.267 4.652 6.010) 7.605 13.313 ( 4.197 24.649 -4.469) 25.399 14.206 ( -1.869 -10.329 -3.568) 11.086 14.782 ( -0.653 1.594 -3.348) 3.765 15.631 ( -0.905 -14.726 1.048) 14.791 16.039 ( 0.565 -0.267 1.005) 1.184 19.104 ( -3.195 -16.367 -1.479) 16.742 19.510 ( -0.375 -6.154 0.933) 6.236 21.418 ( 1.239 6.620 2.010) 7.028 23.241 ( 3.972 0.380 -11.006) 11.707 24.106 ( 0.116 -9.392 0.060) 9.393 25.596 ( 2.502 15.793 -6.612) 17.303 27.639 ( -1.877 -4.370 8.616) 9.842 28.196 ( -3.221 7.274 8.636) 11.741 ======================= Grid point 257 (104/429) ======================= q-point: (-0.29 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.087 ( -7.049 14.957 2.181) 16.678 4.630 ( 2.568 11.042 8.355) 14.083 4.708 ( 1.292 6.057 -1.602) 6.398 5.103 ( 0.766 -4.854 -0.553) 4.945 5.540 ( -5.686 -8.980 5.900) 12.156 5.752 ( 5.256 -6.870 4.707) 9.848 6.535 ( -0.709 0.007 -5.589) 5.633 6.891 ( -2.818 -2.931 0.452) 4.091 7.655 ( 10.481 1.321 -8.277) 13.421 7.747 ( -10.051 -1.725 -0.228) 10.201 9.384 ( 11.864 -1.446 4.354) 12.720 9.698 ( -3.750 -9.906 3.106) 11.038 9.913 ( -5.477 0.286 7.397) 9.209 10.220 ( 1.077 6.604 -6.941) 9.641 10.849 ( -2.653 6.787 0.169) 7.289 10.975 ( -8.995 1.532 -1.446) 9.238 11.127 ( 6.499 -8.024 3.640) 10.949 11.615 ( -0.536 -3.973 0.388) 4.028 11.776 ( 2.685 -1.170 -0.734) 3.019 12.354 ( 2.180 3.157 -1.964) 4.310 12.551 ( -3.436 5.397 4.488) 7.815 12.684 ( 0.627 -12.643 4.189) 13.334 12.829 ( 1.343 23.047 -2.759) 23.251 13.001 ( -3.260 -5.747 5.445) 8.562 14.372 ( 0.641 -7.508 -1.931) 7.779 14.727 ( 0.122 3.292 -4.553) 5.620 15.834 ( -0.122 -6.076 2.074) 6.421 15.983 ( 0.141 6.903 0.348) 6.913 19.355 ( -0.321 -11.024 -0.472) 11.038 19.614 ( 0.888 -4.661 -1.064) 4.863 21.279 ( -0.773 7.969 2.190) 8.301 23.243 ( 3.508 -0.629 -11.741) 12.270 24.281 ( 0.350 -9.321 0.050) 9.328 25.312 ( 1.213 13.890 -4.020) 14.511 27.718 ( -3.037 -3.530 8.982) 10.118 28.069 ( -2.293 5.612 7.404) 9.569 ======================= Grid point 258 (105/429) ======================= q-point: (-0.21 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.743 ( -4.768 18.784 8.169) 21.031 4.324 ( -3.650 20.910 9.519) 23.263 4.659 ( 8.651 2.638 1.146) 9.117 5.239 ( -0.553 -8.152 -0.535) 8.188 5.654 ( -5.031 -5.368 5.067) 8.933 5.872 ( 8.876 0.175 0.050) 8.878 6.505 ( 1.252 3.007 -2.162) 3.909 6.903 ( -4.050 -0.459 -0.596) 4.119 7.547 ( -11.165 3.881 -16.208) 20.060 7.814 ( 8.309 -1.292 6.356) 10.541 9.248 ( 8.861 22.694 4.194) 24.721 9.780 ( -0.468 0.609 1.939) 2.086 9.898 ( -4.030 1.019 2.659) 4.935 10.055 ( 0.077 8.414 -5.170) 9.876 10.654 ( -10.302 6.210 6.609) 13.725 10.891 ( -2.812 4.655 -0.850) 5.504 11.262 ( 2.108 0.084 -3.212) 3.843 11.602 ( -1.232 1.705 -0.126) 2.107 11.822 ( 2.452 1.665 3.029) 4.238 12.314 ( 9.410 6.914 -3.668) 12.239 12.348 ( 2.140 15.481 -0.508) 15.636 12.602 ( -4.132 -6.352 5.173) 9.175 12.859 ( -4.383 -6.743 3.952) 8.961 13.237 ( -2.694 -17.365 3.225) 17.866 14.483 ( 1.668 -3.834 -1.336) 4.389 14.657 ( 0.920 2.529 -5.178) 5.835 15.761 ( 0.636 14.939 -0.538) 14.962 15.871 ( -0.055 4.305 3.662) 5.653 19.480 ( -0.010 -1.523 -0.271) 1.547 19.688 ( 0.300 -2.633 -1.792) 3.199 21.146 ( -0.883 5.412 2.268) 5.934 23.262 ( 3.067 -1.868 -13.425) 13.897 24.454 ( -3.778 -9.102 -3.271) 10.383 25.096 ( 6.608 9.710 -1.060) 11.793 27.747 ( -5.753 0.008 6.533) 8.705 28.015 ( -0.023 0.324 11.607) 11.612 ======================= Grid point 259 (106/429) ======================= q-point: (-0.14 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.359 ( -0.014 22.622 15.580) 27.468 3.869 ( -1.699 27.282 12.821) 30.192 4.702 ( 10.449 -0.219 4.543) 11.396 5.353 ( -2.826 -4.043 -5.297) 7.238 5.712 ( -6.848 -3.284 4.872) 9.023 5.841 ( 13.850 8.834 -3.030) 16.705 6.394 ( 2.579 10.993 2.700) 11.609 6.860 ( -5.164 1.778 -1.997) 5.815 7.354 ( -14.356 5.040 -16.810) 22.673 7.875 ( 7.144 1.010 5.288) 8.945 8.756 ( 9.518 33.156 7.636) 35.330 9.653 ( 2.834 15.334 3.566) 15.996 9.723 ( -5.876 8.930 -22.303) 24.732 9.976 ( -0.823 2.220 8.106) 8.445 10.520 ( -15.591 3.266 8.636) 18.119 10.781 ( -0.259 6.003 -0.143) 6.010 11.119 ( -0.557 12.986 -6.549) 14.554 11.568 ( -0.941 3.836 3.558) 5.316 11.749 ( -0.013 2.983 0.890) 3.113 11.937 ( 2.085 18.384 1.065) 18.533 12.426 ( 10.361 1.546 8.401) 13.428 12.839 ( 6.744 -18.578 -5.152) 20.425 13.006 ( -11.503 -14.224 4.537) 18.847 13.549 ( -1.729 -15.667 1.065) 15.798 14.521 ( -0.348 -0.997 -5.478) 5.579 14.676 ( 3.068 -4.149 -1.359) 5.336 15.424 ( 0.178 19.721 -0.861) 19.740 15.724 ( 1.400 11.862 5.159) 13.011 19.406 ( 1.761 9.744 -0.991) 9.952 19.664 ( -7.115 4.048 -0.748) 8.220 21.092 ( 1.611 0.831 1.684) 2.474 23.292 ( 2.668 -2.178 -16.015) 16.381 24.472 ( -15.497 1.690 -8.923) 17.962 25.102 ( 21.809 -2.582 0.037) 21.961 27.680 ( -7.193 3.259 3.268) 8.546 28.099 ( 0.575 -5.288 19.722) 20.426 ======================= Grid point 260 (107/429) ======================= q-point: (-0.07 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 6.582 25.984 19.614) 33.215 3.348 ( 3.400 30.852 20.312) 37.094 4.766 ( 10.041 3.232 7.847) 13.147 5.310 ( -2.171 4.720 -7.108) 8.805 5.562 ( -1.049 19.377 0.752) 19.420 5.809 ( 11.609 4.547 2.506) 12.717 6.149 ( 1.115 13.372 0.977) 13.454 6.769 ( -4.877 3.809 -4.515) 7.661 7.145 ( -13.139 4.091 -15.143) 20.461 7.875 ( 4.092 3.448 4.033) 6.701 8.244 ( 10.386 26.874 10.224) 30.572 9.291 ( 0.088 22.903 4.346) 23.312 9.481 ( -5.435 8.871 -25.666) 27.695 9.926 ( -0.722 3.759 2.342) 4.487 10.319 ( -14.116 10.376 5.501) 18.363 10.643 ( 0.359 9.135 0.383) 9.150 10.794 ( -2.406 17.331 -9.514) 19.916 11.388 ( -5.372 12.011 6.271) 14.575 11.631 ( -2.118 10.111 5.798) 11.846 11.936 ( 3.960 -15.159 1.929) 15.786 12.435 ( 9.712 3.877 9.749) 14.297 13.162 ( -3.808 -13.119 -0.994) 13.697 13.376 ( 0.246 -26.553 -2.161) 26.642 13.801 ( 0.108 -11.833 -1.386) 11.914 14.514 ( -2.505 1.114 -7.314) 7.812 14.800 ( 2.430 -5.826 2.624) 6.836 15.083 ( 0.558 13.000 -3.233) 13.407 15.522 ( 5.683 10.263 7.446) 13.895 19.126 ( 3.146 21.658 0.871) 21.902 19.429 ( -15.814 13.490 -2.673) 20.957 21.120 ( 2.981 -1.266 1.114) 3.425 23.299 ( 2.008 -0.029 -20.995) 21.091 24.215 ( -18.717 11.756 -9.173) 23.930 25.373 ( 29.891 -8.743 -8.481) 32.277 27.573 ( -7.626 3.828 2.698) 8.950 28.287 ( -0.967 -10.090 28.812) 30.543 ======================= Grid point 265 (108/429) ======================= q-point: ( 0.29 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 16.855 0.000 19.796) 25.999 2.789 ( 23.122 0.000 35.484) 42.352 3.565 ( 0.861 0.000 -3.688) 3.788 4.402 ( 39.952 0.000 31.739) 51.025 4.947 ( -7.562 -0.000 13.077) 15.106 5.827 ( 31.465 0.000 -16.278) 35.427 5.938 ( -5.358 -0.000 -1.751) 5.637 6.139 ( -0.544 -0.000 -17.397) 17.405 7.395 ( 8.157 0.000 2.474) 8.524 7.793 ( -4.330 -0.000 -3.568) 5.611 7.852 ( 2.924 0.000 -3.627) 4.659 8.067 ( -2.417 -0.000 -2.102) 3.203 8.826 ( -4.418 -0.000 -3.589) 5.692 8.897 ( -5.288 -0.000 0.685) 5.332 9.536 ( -7.513 -0.000 -7.858) 10.872 9.872 ( -3.346 -0.000 3.542) 4.873 10.221 ( 1.137 0.000 1.428) 1.826 10.356 ( -4.533 -0.000 -15.103) 15.769 11.009 ( -35.404 -0.000 15.591) 38.685 12.737 ( -19.779 -0.000 1.521) 19.838 13.055 ( 12.348 0.000 -12.830) 17.807 13.507 ( -0.630 -0.000 10.935) 10.953 13.795 ( 0.488 0.000 4.120) 4.149 14.211 ( 3.060 0.000 6.372) 7.068 14.649 ( -5.790 -0.000 6.910) 9.015 14.821 ( -0.270 -0.000 -1.359) 1.386 15.643 ( -0.111 -0.000 -0.698) 0.707 16.763 ( -0.319 -0.000 0.826) 0.886 16.973 ( 14.529 0.000 5.476) 15.526 18.758 ( 25.124 0.000 -24.464) 35.067 20.098 ( -0.376 -0.000 1.341) 1.393 21.207 ( 0.349 0.000 -1.093) 1.147 23.477 ( -1.665 -0.000 -5.635) 5.876 26.482 ( 23.321 0.000 -33.794) 41.060 27.320 ( -5.030 -0.000 3.562) 6.163 29.242 ( -28.560 -0.000 34.773) 44.999 ======================= Grid point 266 (109/429) ======================= q-point: ( 0.36 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 13.955 -37.828 15.770) 43.294 2.981 ( 22.354 -3.846 25.127) 33.850 3.865 ( 1.117 -25.949 1.759) 26.033 4.601 ( -5.948 -3.883 6.568) 9.674 5.084 ( 24.545 -6.706 28.121) 37.924 5.768 ( 10.928 5.686 -6.940) 14.139 6.054 ( 13.343 0.878 -14.124) 19.450 6.266 ( 1.024 -15.979 -10.011) 18.884 7.452 ( 4.700 3.985 -5.640) 8.353 7.651 ( 0.006 9.649 5.563) 11.138 7.804 ( -1.801 -2.174 1.466) 3.181 8.090 ( -4.686 -2.829 -7.463) 9.255 8.714 ( -0.212 0.996 -7.120) 7.193 9.109 ( -8.233 -15.176 2.746) 17.482 9.572 ( -2.583 -9.124 -5.679) 11.053 9.893 ( -4.619 -4.621 0.669) 6.568 10.205 ( 1.001 -1.239 -7.216) 7.389 10.462 ( -1.485 -11.645 -4.421) 12.544 10.872 ( -29.038 -3.450 18.572) 34.641 12.594 ( -19.662 3.029 1.031) 19.921 13.045 ( 10.070 4.756 -11.800) 16.225 13.483 ( 0.875 5.283 13.398) 14.429 13.738 ( 0.309 5.134 3.040) 5.975 14.235 ( 4.112 2.100 3.214) 5.626 14.308 ( 1.605 8.342 0.472) 8.508 15.382 ( -2.521 -25.524 -1.510) 25.693 15.439 ( 0.010 16.510 2.848) 16.754 16.719 ( 1.633 -3.648 -4.727) 6.190 17.213 ( -5.443 -1.053 16.427) 17.338 18.378 ( 29.843 23.235 -21.886) 43.697 20.526 ( -8.404 -26.798 3.121) 28.258 21.543 ( 6.238 -34.049 -9.408) 35.872 23.457 ( -1.214 0.095 -5.740) 5.868 26.533 ( 20.006 1.664 -32.720) 38.387 27.293 ( -4.607 0.416 6.253) 7.778 29.069 ( -22.700 7.722 31.778) 39.809 ======================= Grid point 267 (110/429) ======================= q-point: ( 0.43 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 20.187 -32.374 13.571) 40.494 3.362 ( 16.143 -23.349 14.197) 31.738 4.401 ( 0.699 -27.456 2.220) 27.555 4.594 ( -21.276 -5.963 -2.595) 22.248 5.415 ( 9.520 -6.562 15.356) 19.223 5.723 ( 8.433 4.449 0.909) 9.578 6.175 ( 17.030 -8.627 -8.754) 21.002 6.528 ( 5.531 -10.693 -5.186) 13.109 7.131 ( -1.238 20.044 -1.734) 20.157 7.740 ( 0.995 -10.010 4.119) 10.870 7.933 ( -2.513 -11.351 0.919) 11.662 8.058 ( -6.242 -0.499 -10.298) 12.053 8.766 ( 2.583 -7.530 -6.705) 10.409 9.322 ( -6.617 -12.154 5.278) 14.811 9.818 ( 0.132 -16.360 -4.811) 17.053 10.011 ( -2.533 -11.320 -3.159) 12.022 10.275 ( 0.118 -6.712 -10.060) 12.094 10.675 ( -4.155 -10.695 8.384) 14.211 10.937 ( -14.380 -15.217 14.122) 25.254 12.399 ( -16.200 6.508 1.064) 17.491 12.960 ( 6.620 7.298 -8.863) 13.253 13.377 ( 2.629 9.399 16.743) 19.380 13.706 ( 0.406 -1.941 -3.114) 3.692 14.152 ( 5.012 6.037 -2.388) 8.201 14.357 ( 1.570 -6.139 2.801) 6.928 15.025 ( -0.762 22.914 -2.322) 23.044 15.553 ( 4.287 10.099 -1.865) 11.129 16.764 ( 6.566 29.444 6.895) 30.945 17.091 ( -18.749 -30.435 -2.834) 35.858 18.526 ( 15.036 -17.192 -5.332) 23.453 20.913 ( -5.307 -19.940 5.291) 21.302 22.299 ( 6.578 -39.004 -14.845) 42.249 23.440 ( -1.236 -0.279 -5.030) 5.187 26.517 ( 16.267 5.349 -29.914) 34.469 27.291 ( -3.513 -1.557 9.421) 10.174 28.844 ( -15.734 9.372 26.924) 32.562 ======================= Grid point 268 (111/429) ======================= q-point: ( 0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.789 ( 23.575 -17.346 9.530) 30.781 4.060 ( 13.966 -28.694 11.742) 34.004 4.578 ( -24.011 -8.124 -5.119) 25.860 4.886 ( -2.756 -22.453 -1.879) 22.699 5.393 ( -8.162 5.473 -7.737) 12.508 5.691 ( 6.772 8.412 7.399) 13.091 6.398 ( 0.932 -5.732 -3.198) 6.630 6.811 ( 3.223 6.874 15.055) 16.861 6.884 ( 16.816 -16.507 -3.071) 23.763 7.914 ( -14.950 -1.450 -20.501) 25.415 7.959 ( 0.784 -10.091 2.195) 10.357 8.294 ( 2.394 -20.143 2.332) 20.418 9.020 ( 4.731 -17.376 0.463) 18.014 9.562 ( -2.725 -15.742 7.490) 17.645 10.057 ( -1.288 -10.853 -8.511) 13.852 10.270 ( 2.716 -11.057 -7.128) 13.433 10.444 ( -3.239 -17.293 -1.206) 17.635 10.888 ( -5.945 -14.045 15.391) 21.667 11.257 ( -3.245 -18.991 4.884) 19.875 12.177 ( -10.125 8.626 1.932) 13.441 12.823 ( 2.701 8.036 -7.406) 11.257 13.227 ( 1.752 11.262 16.718) 20.233 13.764 ( 0.686 -3.112 -5.330) 6.210 14.078 ( 7.218 5.018 -5.351) 10.291 14.397 ( -0.857 14.066 2.504) 14.312 14.692 ( -1.181 -0.412 -1.413) 1.887 15.243 ( 0.903 18.821 -4.185) 19.302 16.277 ( 4.238 21.349 2.650) 21.926 17.683 ( -13.302 -36.747 -2.933) 39.190 18.921 ( 4.075 -16.895 2.888) 17.618 21.244 ( -0.014 -14.980 4.074) 15.524 22.938 ( 6.893 -25.915 -15.151) 30.800 23.452 ( -2.075 -3.972 -2.597) 5.180 26.401 ( 11.540 10.175 -23.780) 28.323 27.352 ( -1.804 -4.339 10.195) 11.226 28.644 ( -10.612 8.459 20.868) 24.893 ======================= Grid point 269 (112/429) ======================= q-point: ( 0.57 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.235 ( 19.243 -14.199 7.204) 24.977 4.518 ( -4.017 -5.447 2.418) 7.186 4.645 ( -8.126 -18.753 -2.060) 20.542 5.120 ( -19.121 -5.387 -3.210) 20.123 5.304 ( 8.498 -3.516 -3.273) 9.762 5.486 ( 2.317 14.282 0.089) 14.469 6.460 ( 0.892 -1.968 -1.001) 2.382 6.696 ( -7.277 1.290 7.944) 10.850 7.397 ( 18.719 -14.150 11.586) 26.170 7.808 ( -13.929 -1.221 -18.195) 22.947 8.250 ( 7.431 -20.733 -3.188) 22.254 8.704 ( -3.241 -22.180 0.429) 22.419 9.419 ( 3.902 -18.762 8.853) 21.110 9.925 ( -0.280 -22.049 4.369) 22.479 10.211 ( 2.489 -7.144 -10.233) 12.726 10.414 ( -2.909 -8.358 -1.337) 8.950 10.829 ( -1.678 -20.680 4.450) 21.219 11.188 ( -2.163 -16.419 7.588) 18.216 11.559 ( -2.013 -13.411 0.900) 13.591 11.991 ( -4.528 6.219 3.694) 8.534 12.674 ( -0.340 6.991 -5.953) 9.188 13.050 ( -0.566 9.968 13.306) 16.635 13.757 ( 8.173 13.760 -1.603) 16.084 13.891 ( -3.700 10.667 -1.819) 11.436 14.093 ( 5.092 9.907 -8.450) 13.981 14.836 ( -6.708 -2.739 6.703) 9.871 15.020 ( 2.230 -4.710 -8.465) 9.941 16.039 ( 1.214 6.576 1.088) 6.775 18.249 ( -7.416 -29.862 -2.292) 30.854 19.204 ( 0.507 -11.189 4.176) 11.953 21.462 ( 1.316 -6.533 2.853) 7.249 23.227 ( 6.204 -4.438 -13.394) 15.413 23.628 ( -1.098 -15.397 -0.877) 15.461 26.185 ( 6.703 14.031 -17.042) 23.070 27.457 ( -0.828 -5.224 9.955) 11.273 28.476 ( -7.399 7.446 14.980) 18.291 ======================= Grid point 270 (113/429) ======================= q-point: (-0.36 -0.71 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( -20.851 2.203 -12.063) 24.190 4.563 ( 8.938 -8.419 7.335) 14.303 4.946 ( 0.506 -10.152 5.811) 11.708 5.113 ( 0.731 -2.562 -2.731) 3.815 5.207 ( -1.595 9.492 0.372) 9.633 5.500 ( 9.013 -5.944 6.317) 12.509 6.480 ( -1.820 -1.379 -3.529) 4.203 6.710 ( -6.156 -4.912 3.927) 8.800 7.633 ( 12.018 -2.334 8.684) 15.010 7.719 ( -11.602 -0.505 -16.360) 20.062 8.794 ( 13.917 -26.339 2.157) 29.868 9.083 ( -5.002 -20.363 2.080) 21.071 9.737 ( 0.223 -11.162 11.401) 15.957 10.233 ( -4.402 -7.223 -13.971) 16.333 10.442 ( 6.299 -18.447 3.097) 19.738 10.584 ( -3.354 -12.121 2.452) 12.813 11.178 ( -2.190 -16.260 7.979) 18.244 11.380 ( 0.204 -1.000 -0.815) 1.306 11.762 ( 1.674 -6.092 -3.372) 7.161 11.952 ( -6.039 -8.222 5.932) 11.801 12.542 ( -2.113 4.955 -2.186) 5.814 12.923 ( -0.573 5.157 9.516) 10.839 13.301 ( 1.380 26.186 0.888) 26.238 13.759 ( 4.750 18.185 -3.160) 19.059 14.015 ( 1.588 -6.492 -5.891) 8.910 14.784 ( -3.092 0.792 -1.949) 3.740 15.305 ( -0.150 -18.366 -0.935) 18.390 16.008 ( -0.766 -1.631 0.539) 1.881 18.714 ( -2.156 -22.971 -1.613) 23.128 19.382 ( -0.243 -7.451 2.923) 8.008 21.515 ( 0.443 1.711 2.176) 2.803 23.255 ( 4.500 0.487 -10.930) 11.830 23.903 ( 0.764 -12.732 -0.592) 12.769 25.898 ( 2.610 16.025 -11.621) 19.966 27.565 ( -0.831 -4.551 9.779) 10.818 28.326 ( -5.533 7.122 10.304) 13.694 ======================= Grid point 271 (114/429) ======================= q-point: (-0.29 -0.71 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.183 ( -20.088 5.486 -10.808) 23.461 4.708 ( -2.658 -2.285 9.389) 10.022 4.936 ( 9.079 9.373 2.876) 13.362 5.094 ( 3.971 3.055 -3.399) 6.054 5.296 ( -4.052 -12.517 4.867) 14.028 5.697 ( 12.937 -6.419 10.946) 18.121 6.493 ( -2.005 -1.983 -5.633) 6.300 6.787 ( -4.885 -5.616 -0.012) 7.443 7.612 ( -15.810 -0.141 -12.508) 20.160 7.753 ( 14.365 -1.000 3.832) 14.901 9.301 ( 14.229 -15.899 7.213) 22.523 9.422 ( -2.778 -17.268 4.360) 18.026 9.888 ( -0.540 -3.180 8.801) 9.373 10.249 ( -4.588 -1.152 -13.678) 14.473 10.707 ( -8.806 -11.073 0.129) 14.148 10.872 ( 3.775 -12.345 2.502) 13.150 11.248 ( 1.744 10.926 0.695) 11.086 11.463 ( -0.981 -11.624 5.859) 13.054 11.772 ( 0.953 0.517 -2.524) 2.747 12.214 ( -4.781 -15.077 -3.156) 16.129 12.495 ( -1.441 -3.243 5.695) 6.711 12.809 ( 2.243 15.800 3.462) 16.330 12.949 ( -3.370 4.032 5.442) 7.565 13.337 ( 2.529 25.788 -3.944) 26.210 14.206 ( 3.788 -10.510 -2.311) 11.408 14.755 ( -1.223 0.932 -4.429) 4.688 15.629 ( -0.233 -15.053 1.157) 15.099 16.037 ( -1.252 -0.536 0.186) 1.374 19.088 ( 1.265 -17.153 -0.940) 17.225 19.509 ( -0.436 -6.010 0.823) 6.082 21.430 ( -0.623 6.981 2.079) 7.311 23.245 ( 3.839 0.750 -10.855) 11.539 24.113 ( 0.855 -9.344 0.389) 9.391 25.586 ( 0.400 15.478 -7.450) 17.182 27.654 ( -1.384 -3.687 9.696) 10.465 28.182 ( -4.263 6.670 7.427) 10.855 ======================= Grid point 272 (115/429) ======================= q-point: (-0.21 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.944 ( -14.346 7.880 -2.777) 16.601 4.611 ( -4.817 10.690 8.244) 14.333 4.857 ( 14.014 8.413 4.165) 16.868 5.097 ( -1.208 -4.647 -0.317) 4.812 5.492 ( -4.461 -9.039 3.863) 10.795 5.910 ( 16.171 -4.253 7.796) 18.449 6.505 ( -1.398 -1.381 -4.709) 5.103 6.845 ( -4.184 -3.079 -1.228) 5.338 7.484 ( -15.996 1.274 -14.417) 21.572 7.861 ( 11.570 -1.223 5.274) 12.774 9.542 ( 9.650 0.094 6.454) 11.609 9.691 ( 2.105 -8.765 3.711) 9.748 9.902 ( -1.549 1.314 6.006) 6.340 10.169 ( -4.645 4.336 -8.927) 10.958 10.784 ( -7.251 3.077 -2.517) 8.270 10.873 ( -6.980 3.606 3.154) 8.466 11.218 ( 6.146 -4.534 1.424) 7.769 11.596 ( -2.453 -2.015 0.446) 3.206 11.819 ( 4.266 -3.794 -0.582) 5.739 12.347 ( -2.104 -4.613 -2.318) 5.575 12.529 ( -2.168 9.015 3.859) 10.043 12.704 ( -0.725 -10.864 5.083) 12.016 12.846 ( 3.392 24.435 -3.540) 24.922 12.981 ( -3.461 -6.018 5.888) 9.103 14.401 ( 5.023 -7.108 -0.760) 8.737 14.704 ( -0.776 2.845 -5.434) 6.183 15.844 ( 0.301 -6.701 2.560) 7.180 15.976 ( -1.437 6.740 -0.032) 6.891 19.361 ( 1.489 -10.441 -0.250) 10.549 19.609 ( -0.985 -4.914 -1.274) 5.171 21.281 ( -0.420 8.050 2.263) 8.373 23.238 ( 3.363 -0.140 -11.949) 12.414 24.277 ( -1.090 -7.951 -0.032) 8.026 25.318 ( 2.261 11.714 -3.869) 12.542 27.717 ( -2.811 -1.958 8.992) 9.623 28.069 ( -2.456 3.989 7.387) 8.747 ======================= Grid point 273 (116/429) ======================= q-point: (-0.14 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.700 ( -6.266 12.320 7.614) 15.780 4.320 ( -2.277 19.194 10.416) 21.957 4.818 ( 14.560 4.513 3.594) 15.661 5.215 ( -2.952 -7.561 -0.064) 8.117 5.595 ( -6.621 -5.039 2.358) 8.648 6.037 ( 17.340 2.697 1.007) 17.578 6.508 ( -0.315 0.566 -0.053) 0.650 6.845 ( -4.446 0.135 -1.509) 4.697 7.317 ( -16.615 3.436 -14.721) 22.463 7.942 ( 8.451 0.184 5.665) 10.176 9.376 ( 9.550 23.440 4.529) 25.712 9.753 ( -4.620 1.566 -7.635) 9.060 9.865 ( -1.562 4.579 -1.417) 5.041 10.049 ( -0.033 4.351 6.339) 7.688 10.555 ( -9.134 9.176 2.267) 13.144 10.847 ( -3.269 1.232 1.041) 3.645 11.277 ( 1.978 3.481 -3.002) 5.004 11.588 ( -2.622 -0.334 3.153) 4.114 11.848 ( 1.288 4.172 0.003) 4.367 12.349 ( 0.574 22.782 -1.037) 22.813 12.440 ( 10.784 -5.953 -0.357) 12.323 12.549 ( -7.815 -9.392 5.177) 13.269 12.853 ( 0.731 -1.814 3.020) 3.598 13.215 ( -2.568 -17.803 1.805) 18.078 14.509 ( 2.702 -1.041 -1.420) 3.225 14.648 ( 1.532 0.216 -4.732) 4.978 15.756 ( -1.231 14.989 -0.387) 15.044 15.888 ( 0.428 3.344 4.218) 5.400 19.477 ( -0.287 -1.413 -0.567) 1.549 19.655 ( -4.687 -0.865 -1.591) 5.025 21.163 ( 2.289 4.774 2.132) 5.708 23.247 ( 3.072 -1.281 -13.726) 14.123 24.370 ( -7.528 -3.452 -3.113) 8.847 25.202 ( 11.037 2.913 -0.738) 11.438 27.707 ( -5.050 2.211 5.797) 8.000 28.060 ( -0.063 -2.113 12.351) 12.531 ======================= Grid point 274 (117/429) ======================= q-point: (-0.07 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.431 ( 2.750 17.507 15.980) 23.862 3.924 ( 2.456 24.663 14.499) 28.714 4.866 ( 12.778 0.686 5.988) 14.128 5.299 ( -2.511 -2.705 -4.689) 5.967 5.627 ( -8.726 -2.564 0.441) 9.105 6.028 ( 17.939 7.793 -2.691) 19.743 6.436 ( 1.477 9.511 5.515) 11.093 6.785 ( -5.336 2.615 -3.434) 6.863 7.115 ( -16.064 4.349 -13.066) 21.158 7.969 ( 5.619 2.468 5.184) 8.033 8.895 ( 8.817 31.716 6.998) 33.654 9.537 ( -10.584 11.076 -26.389) 30.513 9.697 ( 1.817 13.441 4.935) 14.434 10.005 ( 0.197 4.084 9.419) 10.269 10.372 ( -12.266 4.924 2.174) 13.395 10.778 ( 0.271 5.287 0.392) 5.308 11.096 ( 0.022 14.485 -3.499) 14.902 11.552 ( -4.680 5.671 5.169) 8.988 11.762 ( 2.072 2.260 -1.192) 3.290 11.965 ( 1.156 16.215 3.571) 16.644 12.564 ( 6.417 0.907 10.511) 12.348 12.871 ( -4.810 -20.697 0.778) 21.263 12.931 ( 4.221 -11.969 -4.227) 13.377 13.538 ( -0.116 -16.130 -0.763) 16.148 14.482 ( -2.767 0.806 -6.456) 7.070 14.722 ( 4.918 -4.757 0.124) 6.844 15.413 ( -1.492 19.350 -0.422) 19.412 15.766 ( 2.243 10.232 5.761) 11.955 19.412 ( 0.034 8.127 -0.857) 8.172 19.537 ( -13.511 7.957 -1.261) 15.730 21.143 ( 5.709 0.673 1.643) 5.979 23.263 ( 2.969 -1.290 -16.258) 16.577 24.274 ( -13.281 5.925 -5.672) 15.610 25.348 ( 20.581 -7.724 -2.381) 22.112 27.617 ( -5.793 4.279 3.726) 8.109 28.176 ( 0.090 -6.556 19.073) 20.168 ======================= Grid point 280 (118/429) ======================= q-point: ( 0.36 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 10.870 0.000 17.474) 20.579 3.166 ( 19.809 0.000 29.853) 35.827 3.561 ( 0.914 0.000 -3.598) 3.713 4.477 ( -23.593 -0.000 -1.633) 23.649 5.296 ( 37.297 0.000 33.272) 49.981 5.884 ( -3.263 -0.000 -0.196) 3.269 6.064 ( 2.701 0.000 -12.409) 12.700 6.134 ( 26.741 0.000 -17.393) 31.900 7.480 ( 5.821 0.000 -1.918) 6.129 7.727 ( -4.404 -0.000 -3.335) 5.525 7.874 ( 2.891 0.000 -2.946) 4.127 8.013 ( -5.251 -0.000 -2.019) 5.626 8.767 ( -3.237 -0.000 -2.701) 4.216 8.852 ( -3.478 -0.000 3.253) 4.762 9.460 ( -1.010 -0.000 -7.486) 7.554 9.801 ( -8.958 -0.000 -2.964) 9.436 10.236 ( 0.540 0.000 0.803) 0.967 10.287 ( -0.932 -0.000 -6.464) 6.531 10.707 ( -25.379 -0.000 17.448) 30.798 12.503 ( -19.929 -0.000 1.280) 19.970 13.110 ( 6.895 0.000 -16.118) 17.531 13.557 ( 0.722 0.000 13.297) 13.316 13.818 ( 0.566 0.000 3.397) 3.444 14.280 ( 4.211 0.000 6.900) 8.083 14.618 ( -3.516 -0.000 6.057) 7.004 14.814 ( -0.126 -0.000 -1.320) 1.326 15.645 ( 0.681 0.000 0.159) 0.699 16.762 ( -0.297 -0.000 0.821) 0.873 17.136 ( 8.986 0.000 6.014) 10.813 18.944 ( 21.651 0.000 -22.244) 31.041 20.098 ( -0.383 -0.000 1.369) 1.421 21.207 ( 0.361 0.000 -1.075) 1.134 23.443 ( -0.227 -0.000 -6.287) 6.292 26.598 ( 18.158 0.000 -32.540) 37.264 27.284 ( -4.234 -0.000 6.446) 7.712 29.060 ( -23.602 -0.000 29.734) 37.963 ======================= Grid point 281 (119/429) ======================= q-point: ( 0.43 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 6.628 -37.719 13.613) 40.644 3.297 ( 17.062 -3.583 17.373) 24.612 3.895 ( 2.560 -26.575 3.037) 26.870 4.347 ( -28.151 -3.492 -5.410) 28.878 5.478 ( 13.703 3.458 13.966) 19.869 5.899 ( 17.594 1.857 11.724) 21.223 6.111 ( -1.066 -4.973 -4.758) 6.965 6.340 ( 21.236 -9.534 -16.859) 28.742 7.457 ( 0.985 9.731 -7.910) 12.579 7.682 ( 0.929 4.948 5.944) 7.790 7.767 ( -4.941 -3.354 -0.736) 6.017 8.020 ( -2.359 -0.463 -6.658) 7.079 8.703 ( 2.429 -0.074 -5.099) 5.649 9.047 ( -5.066 -14.371 6.107) 16.416 9.541 ( 0.927 -10.120 -6.619) 12.128 9.795 ( -9.422 -6.283 -6.229) 12.925 10.195 ( 0.592 -0.991 -4.146) 4.303 10.462 ( 1.379 -13.320 1.064) 13.434 10.660 ( -18.074 -5.299 19.373) 27.020 12.377 ( -16.944 2.022 1.076) 17.098 13.081 ( 5.232 3.625 -14.865) 16.171 13.548 ( 0.534 4.239 14.886) 15.487 13.753 ( 0.054 5.647 2.900) 6.349 14.293 ( 3.959 4.509 1.473) 6.179 14.348 ( 3.775 5.908 3.447) 7.813 15.322 ( -4.870 -18.468 -4.993) 19.741 15.472 ( 2.031 7.049 7.511) 10.499 16.721 ( 2.211 1.376 -6.297) 6.814 17.194 ( -7.506 5.837 12.532) 15.731 18.634 ( 25.766 20.938 -16.457) 37.056 20.447 ( -7.421 -24.855 4.040) 26.252 21.581 ( 5.797 -34.973 -7.862) 36.312 23.429 ( 0.333 0.265 -6.222) 6.237 26.620 ( 16.077 2.044 -32.292) 36.131 27.274 ( -3.681 -0.167 9.182) 9.894 28.930 ( -19.915 5.177 26.719) 33.724 ======================= Grid point 282 (120/429) ======================= q-point: ( 0.50 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.415 ( 1.864 -43.454 7.482) 44.133 3.618 ( 18.103 -15.726 11.036) 26.398 4.270 ( -27.771 -7.107 -7.500) 29.631 4.435 ( 3.178 -25.998 2.397) 26.301 5.425 ( -5.712 4.098 -2.902) 7.606 5.942 ( 15.759 8.561 15.002) 23.382 6.240 ( 0.612 -8.814 -3.427) 9.476 6.663 ( 17.261 -14.746 -6.793) 23.696 7.120 ( -0.152 19.239 3.381) 19.535 7.751 ( -0.973 -9.080 1.427) 9.243 7.808 ( -7.664 -1.873 -12.473) 14.759 8.048 ( 0.308 -7.332 1.735) 7.541 8.801 ( 6.740 -8.881 -3.723) 11.754 9.295 ( -2.451 -13.096 7.994) 15.537 9.783 ( -2.649 -13.844 -7.902) 16.159 9.944 ( -3.608 -17.273 -6.171) 18.694 10.263 ( 1.983 -5.448 -4.789) 7.519 10.682 ( -2.782 -7.810 16.991) 18.906 10.858 ( -6.363 -20.604 6.641) 22.564 12.235 ( -11.503 4.309 1.127) 12.335 12.975 ( 2.803 7.271 -11.329) 13.751 13.456 ( -0.953 8.673 16.602) 18.755 13.712 ( 2.242 -1.091 -1.170) 2.754 14.201 ( 4.318 5.606 -1.736) 7.286 14.394 ( 2.535 -4.097 2.958) 5.653 15.010 ( -0.364 22.737 -2.206) 22.847 15.584 ( 2.546 10.833 -1.490) 11.227 16.776 ( -9.477 23.965 2.061) 25.853 16.949 ( -1.627 -25.279 -2.594) 25.464 18.681 ( 13.167 -10.330 -0.647) 16.748 20.872 ( -5.059 -23.175 4.678) 24.178 22.330 ( 7.258 -38.042 -11.755) 40.473 23.416 ( 0.602 0.052 -5.411) 5.445 26.573 ( 12.657 5.990 -30.046) 33.149 27.297 ( -2.351 -2.350 11.831) 12.289 28.756 ( -15.251 6.880 22.475) 28.019 ======================= Grid point 283 (121/429) ======================= q-point: (-0.43 -0.64 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.050 ( 7.666 -22.403 1.411) 23.721 4.158 ( 1.884 -25.769 6.504) 26.644 4.258 ( -23.878 -10.084 -7.992) 27.124 4.858 ( 0.334 -15.903 1.559) 15.983 5.322 ( 0.949 1.332 -4.782) 5.054 5.803 ( 6.427 14.636 7.382) 17.607 6.382 ( -1.429 -6.217 -3.500) 7.276 6.780 ( -6.326 9.459 2.366) 11.623 7.137 ( 13.047 -19.225 10.193) 25.372 7.735 ( -1.483 1.263 -16.144) 16.261 7.977 ( 1.496 -13.501 0.503) 13.593 8.287 ( -3.837 -17.835 -0.659) 18.255 9.112 ( 8.908 -18.250 4.639) 20.832 9.563 ( -2.599 -15.617 7.823) 17.659 9.980 ( -2.886 -12.449 -11.982) 17.517 10.290 ( 3.053 -12.007 -3.357) 12.835 10.431 ( 1.276 -16.783 -0.162) 16.832 10.889 ( -4.508 -13.368 17.698) 22.633 11.238 ( -2.433 -19.579 1.516) 19.787 12.091 ( -4.623 5.947 1.535) 7.687 12.813 ( 0.482 8.483 -8.567) 12.066 13.271 ( -4.989 11.691 14.879) 19.569 13.779 ( 4.555 -2.860 -1.852) 5.688 14.136 ( 5.767 4.423 -5.160) 8.913 14.397 ( -1.166 14.982 2.767) 15.280 14.685 ( 0.742 0.733 -0.575) 1.191 15.229 ( 0.173 20.385 -5.307) 21.065 16.285 ( -3.392 19.716 -1.354) 20.052 17.577 ( -3.271 -36.627 -1.947) 36.825 18.986 ( 4.342 -13.673 5.655) 15.420 21.246 ( -2.085 -16.826 3.295) 17.272 22.971 ( 7.715 -25.830 -12.596) 29.755 23.431 ( 0.277 -3.459 -2.773) 4.442 26.423 ( 7.694 10.718 -24.581) 27.898 27.379 ( -0.687 -4.625 12.335) 13.191 28.586 ( -11.498 6.725 17.386) 21.902 ======================= Grid point 284 (122/429) ======================= q-point: (-0.36 -0.64 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.214 ( -26.789 -5.437 -15.334) 31.343 4.461 ( 7.767 -9.132 6.645) 13.707 4.535 ( -16.004 -22.449 0.834) 27.582 5.071 ( 7.084 -6.625 -0.870) 9.738 5.435 ( 15.339 -5.791 1.119) 16.434 5.549 ( 6.907 15.309 5.421) 17.648 6.439 ( -2.768 -2.207 -5.635) 6.655 6.630 ( -8.456 1.722 7.665) 11.543 7.489 ( -11.303 -10.743 1.167) 15.637 7.733 ( 12.764 -0.655 -5.994) 14.116 8.357 ( 11.202 -25.252 -0.601) 27.632 8.647 ( -5.496 -22.517 -0.997) 23.200 9.523 ( 6.180 -16.088 14.317) 22.405 9.874 ( -8.938 -18.776 -2.825) 20.986 10.201 ( 4.680 -13.716 -9.650) 17.412 10.433 ( 3.265 -5.110 4.207) 7.381 10.834 ( 0.115 -20.624 3.620) 20.940 11.183 ( -3.811 -16.233 7.539) 18.300 11.538 ( -1.564 -13.726 -0.330) 13.819 11.968 ( -1.052 5.753 2.107) 6.216 12.643 ( -1.469 7.502 -5.961) 9.694 13.056 ( -6.639 8.805 11.566) 15.980 13.839 ( -2.799 23.427 -0.272) 23.595 13.860 ( 9.028 1.945 0.190) 9.237 14.137 ( 6.461 10.110 -7.687) 14.249 14.781 ( -6.142 -0.646 4.921) 7.897 15.018 ( 2.653 -6.168 -8.007) 10.450 16.023 ( -3.898 5.781 -1.428) 7.117 18.205 ( 1.061 -30.374 -1.667) 30.438 19.235 ( 1.691 -9.593 5.551) 11.211 21.468 ( -1.907 -7.173 2.364) 7.790 23.251 ( 6.181 -3.309 -12.174) 14.049 23.629 ( 1.681 -16.074 -0.434) 16.167 26.174 ( 2.694 14.285 -18.383) 23.436 27.494 ( -0.034 -4.861 12.017) 12.963 28.432 ( -8.865 6.300 12.379) 16.478 ======================= Grid point 285 (123/429) ======================= q-point: (-0.29 -0.64 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.069 ( -25.720 0.010 -15.939) 30.258 4.586 ( -11.997 -8.377 9.589) 17.494 4.890 ( -0.690 -16.329 0.356) 16.348 5.119 ( 0.156 3.993 -8.387) 9.290 5.382 ( 18.501 9.619 9.202) 22.792 5.683 ( 18.221 -7.289 8.680) 21.459 6.435 ( -3.223 -1.337 -4.843) 5.970 6.640 ( -7.020 -5.503 2.381) 9.233 7.484 ( -15.851 -1.499 -9.230) 18.404 7.826 ( 12.615 -0.622 2.334) 12.844 8.981 ( 14.743 -28.682 4.150) 32.515 9.043 ( -2.564 -21.215 2.900) 21.565 9.807 ( 2.824 -8.569 15.466) 17.905 10.057 ( -13.438 -9.491 -16.643) 23.402 10.505 ( 4.104 -10.288 1.267) 11.149 10.606 ( 2.221 -14.569 3.914) 15.249 11.188 ( -0.747 -16.064 6.866) 17.486 11.370 ( -1.422 -2.558 -0.325) 2.944 11.775 ( 2.432 -6.774 -3.366) 7.946 11.901 ( -4.843 -6.051 1.853) 7.969 12.505 ( -3.196 4.257 -1.227) 5.463 12.936 ( -3.715 2.718 9.177) 10.266 13.300 ( -1.316 27.067 0.892) 27.113 13.790 ( 1.985 19.566 -2.164) 19.785 14.059 ( 8.741 -6.030 -4.041) 11.362 14.741 ( -2.328 -0.063 -3.061) 3.846 15.303 ( 0.469 -18.327 -1.173) 18.370 15.981 ( -3.706 -2.560 -0.807) 4.576 18.723 ( 4.462 -23.173 -1.317) 23.635 19.397 ( 0.707 -6.317 3.452) 7.233 21.510 ( -2.558 1.343 2.049) 3.542 23.268 ( 4.577 0.980 -10.505) 11.501 23.922 ( 2.574 -12.498 -0.016) 12.761 25.862 ( -0.986 15.655 -12.876) 20.293 27.598 ( -0.272 -3.891 11.498) 12.142 28.288 ( -6.985 6.223 8.436) 12.597 ======================= Grid point 286 (124/429) ======================= q-point: (-0.21 -0.64 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.900 ( -19.842 0.573 -10.424) 22.421 4.678 ( -8.609 -4.016 10.847) 14.419 4.967 ( -0.181 3.740 -2.482) 4.492 5.123 ( 0.300 -2.658 -1.794) 3.220 5.376 ( 11.056 0.789 6.673) 12.937 5.944 ( 21.620 -5.626 10.145) 24.536 6.445 ( -2.653 -2.257 -4.901) 6.013 6.729 ( -4.207 -6.333 -0.748) 7.640 7.375 ( -16.951 0.433 -11.480) 20.478 7.915 ( 10.545 -1.052 3.971) 11.317 9.402 ( 1.537 -15.468 6.485) 16.843 9.534 ( 14.892 -17.913 7.678) 24.527 9.932 ( 1.524 -0.313 6.866) 7.040 10.078 ( -13.605 -5.853 -15.453) 21.405 10.640 ( -3.798 -5.928 4.011) 8.103 10.889 ( -1.961 -8.516 1.107) 8.809 11.281 ( 3.273 7.062 0.607) 7.807 11.471 ( -1.184 -10.370 4.756) 11.470 11.775 ( 1.110 -0.975 -3.013) 3.355 12.148 ( -3.159 -13.333 -5.853) 14.900 12.488 ( -3.610 -6.154 6.123) 9.402 12.840 ( -0.650 20.568 2.070) 20.682 12.928 ( -2.330 -1.149 7.229) 7.681 13.342 ( 0.682 25.860 -3.355) 26.086 14.273 ( 8.352 -9.731 -1.061) 12.868 14.722 ( -1.310 0.760 -5.232) 5.447 15.634 ( 0.326 -15.384 1.144) 15.429 16.011 ( -2.955 -1.270 -0.434) 3.246 19.126 ( 5.558 -16.396 -0.751) 17.328 19.506 ( -0.488 -4.987 0.803) 5.075 21.420 ( -2.464 6.299 2.164) 7.101 23.249 ( 3.890 1.257 -10.834) 11.579 24.129 ( 1.616 -8.356 0.837) 8.552 25.549 ( -1.720 13.682 -8.151) 16.018 27.679 ( -0.967 -2.774 10.835) 11.226 28.152 ( -5.216 5.499 6.266) 9.834 ======================= Grid point 287 (125/429) ======================= q-point: (-0.14 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.779 ( -11.281 1.702 -1.137) 11.465 4.604 ( -2.559 9.951 9.651) 14.096 4.978 ( 2.462 -1.843 2.600) 4.028 5.096 ( 2.804 1.596 -0.943) 3.361 5.476 ( -0.830 -4.587 4.359) 6.382 6.160 ( 21.011 -1.730 3.808) 21.423 6.467 ( -2.258 -2.440 -1.654) 3.714 6.800 ( -2.439 -2.975 -0.557) 3.887 7.233 ( -17.791 1.429 -12.460) 21.767 7.997 ( 8.096 -0.716 5.245) 9.673 9.624 ( 2.181 -4.080 2.179) 5.114 9.785 ( 9.110 3.041 1.636) 9.743 9.892 ( -3.102 1.740 -2.648) 4.434 10.080 ( -4.535 -2.522 2.914) 5.951 10.688 ( -6.831 2.461 -2.689) 7.742 10.833 ( -3.067 4.514 5.816) 7.976 11.277 ( 3.562 -2.541 0.090) 4.376 11.567 ( -2.955 -1.112 1.190) 3.374 11.858 ( 3.007 -4.369 -2.171) 5.731 12.300 ( -3.646 -8.709 -2.096) 9.671 12.532 ( -0.112 9.511 3.503) 10.137 12.694 ( -4.059 -4.989 4.421) 7.804 12.881 ( 4.384 16.469 -2.600) 17.240 12.969 ( -2.157 -3.882 5.257) 6.882 14.474 ( 7.048 -5.926 0.384) 9.216 14.670 ( -1.205 2.422 -6.208) 6.772 15.859 ( 0.576 -7.237 2.752) 7.764 15.951 ( -2.595 6.506 -0.265) 7.009 19.387 ( 2.871 -8.179 -0.135) 8.669 19.583 ( -2.422 -3.786 -1.426) 4.715 21.286 ( -0.283 6.517 2.283) 6.911 23.233 ( 3.515 0.383 -11.976) 12.487 24.259 ( -1.743 -4.947 0.187) 5.248 25.333 ( 2.594 7.152 -4.026) 8.608 27.720 ( -2.649 -0.012 9.012) 9.394 28.067 ( -2.561 1.591 7.367) 7.960 ======================= Grid point 288 (126/429) ======================= q-point: (-0.07 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.682 ( -1.382 5.978 9.592) 11.387 4.355 ( 1.176 17.259 11.175) 20.594 4.988 ( 11.582 3.379 2.258) 12.275 5.177 ( -3.490 -7.468 0.684) 8.271 5.523 ( -6.583 -2.379 0.634) 7.028 6.240 ( 15.008 4.219 -5.032) 16.381 6.502 ( 0.321 -0.813 2.733) 2.869 6.808 ( -1.025 1.047 1.802) 2.322 7.065 ( -17.235 2.987 -11.087) 20.710 8.047 ( 5.656 0.978 5.808) 8.166 9.479 ( 4.896 21.471 -3.603) 22.315 9.601 ( -11.324 9.149 -14.145) 20.298 9.872 ( 2.571 2.872 3.877) 5.467 10.114 ( 3.767 2.640 14.187) 14.914 10.457 ( -7.730 10.729 -2.681) 13.492 10.840 ( 1.038 0.276 2.530) 2.749 11.286 ( 1.129 4.955 -1.109) 5.201 11.557 ( -5.131 -0.957 4.066) 6.616 11.855 ( 0.611 4.911 -2.140) 5.391 12.345 ( -1.072 21.402 0.779) 21.443 12.477 ( -6.594 -11.227 4.023) 13.628 12.564 ( 9.815 -9.468 0.961) 13.671 12.882 ( 1.572 1.758 3.145) 3.931 13.197 ( -0.660 -18.774 -0.568) 18.794 14.507 ( -1.890 3.770 -3.652) 5.579 14.675 ( 5.174 -3.440 -2.229) 6.601 15.731 ( -2.653 14.762 -0.056) 14.998 15.913 ( 1.165 2.610 4.176) 5.060 19.463 ( -1.982 -0.211 -1.878) 2.738 19.578 ( -6.850 2.540 -0.268) 7.311 21.211 ( 4.341 2.708 2.006) 5.495 23.233 ( 3.477 -0.733 -13.472) 13.933 24.271 ( -7.287 1.245 -2.049) 7.671 25.330 ( 11.210 -3.425 -1.770) 11.855 27.674 ( -4.251 3.702 5.756) 8.056 28.105 ( -0.328 -4.115 12.309) 12.983 ======================= Grid point 295 (127/429) ======================= q-point: ( 0.43 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 1.910 0.000 15.136) 15.256 3.446 ( 8.035 0.000 21.631) 23.075 3.564 ( 1.923 0.000 -2.758) 3.363 4.138 ( -25.581 -0.000 -7.313) 26.606 5.655 ( 0.697 0.000 8.838) 8.865 5.862 ( -0.782 -0.000 1.296) 1.513 6.149 ( 17.864 0.000 14.021) 22.709 6.385 ( 26.885 0.000 -18.895) 32.861 7.500 ( 0.145 0.000 -8.629) 8.630 7.681 ( -1.473 -0.000 -0.370) 1.519 7.897 ( 2.930 0.000 -2.670) 3.964 7.932 ( -7.100 -0.000 -2.193) 7.431 8.740 ( -0.237 -0.000 -0.445) 0.504 8.842 ( -1.063 -0.000 5.861) 5.956 9.449 ( 4.378 0.000 -8.709) 9.747 9.662 ( -9.448 -0.000 -9.052) 13.085 10.235 ( -9.059 -0.000 4.788) 10.246 10.240 ( -0.157 -0.000 0.195) 0.251 10.590 ( -4.787 -0.000 16.061) 16.759 12.304 ( -13.744 -0.000 0.617) 13.758 13.107 ( 3.856 0.000 -17.287) 17.712 13.616 ( 0.094 0.000 14.782) 14.782 13.828 ( -0.711 -0.000 2.525) 2.623 14.353 ( 3.588 0.000 6.185) 7.150 14.612 ( -1.927 -0.000 7.070) 7.328 14.809 ( 0.129 0.000 -1.284) 1.291 15.662 ( 1.721 0.000 1.476) 2.267 16.762 ( -0.271 -0.000 0.822) 0.866 17.216 ( 1.110 0.000 4.069) 4.218 19.099 ( 18.074 0.000 -18.752) 26.044 20.099 ( -0.401 -0.000 1.394) 1.450 21.207 ( 0.369 0.000 -1.054) 1.116 23.424 ( 1.207 0.000 -6.566) 6.676 26.669 ( 15.391 0.000 -33.049) 36.457 27.269 ( -3.472 -0.000 9.799) 10.396 28.908 ( -20.330 -0.000 25.257) 32.423 ======================= Grid point 296 (128/429) ======================= q-point: (-0.50 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -3.529 -36.672 10.536) 38.319 3.467 ( -1.076 -6.754 9.497) 11.703 3.884 ( -12.034 -20.712 -4.654) 24.402 4.075 ( -3.157 -8.701 0.678) 9.281 5.490 ( -10.309 7.561 -1.212) 12.842 6.036 ( -5.668 -11.085 1.507) 12.541 6.225 ( 18.160 5.765 14.072) 23.686 6.556 ( 22.790 -5.498 -10.120) 25.535 7.425 ( -1.191 8.442 -8.516) 12.050 7.687 ( -4.163 6.562 3.550) 8.544 7.726 ( 1.434 -2.908 -1.430) 3.544 7.971 ( -3.210 -1.096 -5.679) 6.614 8.736 ( 5.877 -1.847 -3.408) 7.040 9.038 ( -1.511 -14.546 9.360) 17.363 9.541 ( 3.035 -8.127 -7.142) 11.237 9.666 ( -5.045 -7.827 -9.438) 13.259 10.171 ( -3.916 -2.648 1.400) 4.930 10.454 ( -4.260 -17.330 3.274) 18.143 10.633 ( 0.668 -2.146 17.263) 17.408 12.227 ( -8.358 1.327 0.105) 8.463 13.066 ( 2.470 3.260 -15.641) 16.167 13.600 ( -1.432 4.622 15.438) 16.178 13.760 ( -0.609 4.614 2.562) 5.313 14.334 ( 2.512 6.125 0.069) 6.620 14.413 ( 3.479 4.099 6.785) 8.657 15.241 ( -5.178 -14.553 -5.784) 16.494 15.540 ( 4.233 2.790 9.224) 10.526 16.721 ( 2.159 5.216 -7.777) 9.610 17.128 ( -10.342 9.261 7.845) 15.946 18.850 ( 19.624 18.883 -10.440) 29.166 20.383 ( -6.003 -23.418 3.753) 24.465 21.619 ( 5.311 -36.461 -6.536) 37.421 23.418 ( 1.800 0.322 -6.367) 6.625 26.670 ( 13.652 2.657 -33.603) 36.367 27.276 ( -2.820 -0.795 12.373) 12.715 28.802 ( -17.971 3.708 22.833) 29.293 ======================= Grid point 297 (129/429) ======================= q-point: (-0.43 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( -12.664 -39.430 0.438) 41.416 3.708 ( -20.166 -21.175 3.031) 29.397 4.034 ( 4.353 -9.247 -4.284) 11.082 4.497 ( 4.563 -23.882 4.431) 24.715 5.324 ( -9.691 2.155 -2.577) 10.257 6.069 ( -1.936 6.025 7.550) 9.851 6.272 ( 7.482 -2.009 -2.765) 8.225 6.772 ( 4.559 -6.855 -4.892) 9.576 7.174 ( 4.727 12.495 7.552) 15.346 7.721 ( -1.296 -9.929 -1.333) 10.102 7.742 ( 2.071 0.652 -11.838) 12.036 8.023 ( -5.771 -8.683 1.882) 10.594 8.891 ( 10.031 -10.674 -1.745) 14.751 9.322 ( 0.716 -12.704 11.290) 17.011 9.711 ( -2.666 -11.684 -8.252) 14.551 9.919 ( 3.721 -19.802 -7.394) 21.462 10.263 ( -0.996 -7.528 0.664) 7.623 10.739 ( 0.586 -5.157 19.227) 19.916 10.820 ( -3.514 -22.121 1.722) 22.465 12.158 ( -1.459 2.920 0.222) 3.272 12.946 ( -0.198 7.241 -11.880) 13.915 13.470 ( -6.086 9.774 13.503) 17.746 13.749 ( 3.403 -2.311 2.591) 4.862 14.236 ( 2.499 5.085 -0.927) 5.741 14.430 ( 1.049 -1.516 3.798) 4.222 15.000 ( 0.490 20.588 -3.006) 20.812 15.608 ( 2.211 13.385 -0.581) 13.578 16.629 ( -12.278 13.648 -5.041) 19.037 16.964 ( 2.751 -16.670 -0.660) 16.908 18.827 ( 10.468 -5.727 4.415) 12.723 20.830 ( -4.572 -24.876 3.224) 25.497 22.379 ( 7.904 -37.881 -9.385) 39.818 23.413 ( 2.244 0.145 -5.462) 5.907 26.587 ( 9.542 7.043 -31.602) 33.754 27.325 ( -1.182 -3.128 14.448) 14.830 28.657 ( -14.967 5.319 19.282) 24.981 ======================= Grid point 298 (130/429) ======================= q-point: (-0.36 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( -29.818 -19.305 -10.747) 37.111 3.971 ( -25.282 -23.072 -3.269) 34.383 4.346 ( 16.005 -12.319 4.681) 20.733 4.905 ( 4.228 -15.628 3.143) 16.492 5.355 ( 4.622 -8.079 -1.498) 9.428 5.898 ( 5.937 13.164 7.432) 16.241 6.330 ( -3.408 -4.076 -10.312) 11.600 6.706 ( -7.125 7.924 3.038) 11.081 7.223 ( -2.271 -9.503 9.094) 13.348 7.752 ( 8.142 -2.508 -10.676) 13.659 8.011 ( 5.628 -18.171 -1.096) 19.055 8.216 ( -6.381 -16.545 -1.240) 17.776 9.247 ( 10.101 -19.280 5.784) 22.522 9.557 ( -3.288 -10.942 9.957) 15.155 9.941 ( 3.872 -14.060 -10.247) 17.824 10.309 ( 2.306 -15.239 -1.734) 15.510 10.459 ( 2.903 -15.873 0.550) 16.145 10.912 ( -3.159 -10.461 16.527) 19.813 11.208 ( -2.881 -19.875 0.119) 20.083 12.093 ( 4.055 5.472 0.961) 6.879 12.766 ( -2.903 8.154 -9.260) 12.675 13.225 ( -10.811 12.262 11.870) 20.203 13.853 ( 7.490 -3.190 2.229) 8.441 14.172 ( 3.572 4.340 -4.511) 7.207 14.382 ( -3.679 12.668 2.933) 13.514 14.708 ( 3.368 3.942 -0.008) 5.185 15.212 ( 0.586 21.325 -6.115) 22.192 16.194 ( -9.623 16.863 -5.058) 20.064 17.585 ( 5.297 -36.116 -1.635) 36.539 19.067 ( 4.961 -11.044 8.584) 14.841 21.221 ( -3.880 -17.580 2.220) 18.139 23.024 ( 8.894 -25.123 -10.799) 28.755 23.436 ( 2.248 -3.556 -2.565) 4.928 26.395 ( 3.793 11.539 -26.325) 28.992 27.429 ( 0.375 -4.717 14.741) 15.482 28.507 ( -12.383 5.483 14.803) 20.063 ======================= Grid point 299 (131/429) ======================= q-point: (-0.29 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.822 ( -29.140 -6.668 -15.369) 33.612 4.220 ( -27.616 -19.143 4.926) 33.961 4.647 ( 11.626 -12.031 0.162) 16.731 5.130 ( 4.473 -3.932 -4.838) 7.673 5.572 ( 4.417 -5.727 4.007) 8.268 5.765 ( 24.897 6.606 6.947) 26.679 6.357 ( -5.480 -3.711 -9.751) 11.785 6.566 ( -7.094 2.161 7.675) 10.672 7.326 ( -13.713 -4.722 -1.849) 14.620 7.864 ( 8.365 -3.203 0.227) 8.961 8.465 ( 4.260 -28.032 -5.150) 28.818 8.612 ( 3.811 -25.257 1.901) 25.614 9.667 ( 7.507 -13.719 18.829) 24.476 9.741 ( -9.264 -12.467 -4.769) 16.248 10.238 ( 6.368 -16.199 -8.676) 19.449 10.493 ( 3.061 -5.458 7.017) 9.402 10.860 ( 2.571 -20.258 1.428) 20.470 11.153 ( -5.791 -14.745 6.915) 17.285 11.526 ( -0.184 -15.172 -0.520) 15.182 11.982 ( 2.433 8.495 0.576) 8.855 12.588 ( -4.228 6.643 -6.269) 10.065 12.992 ( -10.141 6.607 9.300) 15.264 13.819 ( -0.966 24.390 1.969) 24.488 13.973 ( 8.366 3.087 1.720) 9.082 14.175 ( 4.793 8.842 -6.798) 12.139 14.739 ( -3.289 1.063 3.214) 4.720 15.021 ( 2.796 -6.944 -7.470) 10.575 15.941 ( -8.236 3.503 -3.400) 9.574 18.256 ( 8.396 -30.193 -1.951) 31.399 19.287 ( 3.156 -7.786 7.080) 10.987 21.437 ( -4.651 -7.567 1.896) 9.082 23.280 ( 6.322 -2.003 -11.416) 13.203 23.665 ( 4.459 -16.384 0.165) 16.981 26.109 ( -1.518 14.435 -20.039) 24.743 27.547 ( 0.672 -4.263 14.255) 14.894 28.363 ( -10.241 5.244 10.282) 15.430 ======================= Grid point 300 (132/429) ======================= q-point: (-0.21 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.723 ( -23.358 -3.462 -12.284) 26.618 4.418 ( -19.456 -15.409 8.415) 26.207 4.926 ( 4.108 -11.681 -1.453) 12.467 5.093 ( 1.038 5.939 -6.706) 9.018 5.573 ( 8.748 6.143 7.371) 12.984 5.984 ( 26.252 -6.203 3.496) 27.200 6.380 ( -1.992 -2.650 -2.834) 4.361 6.580 ( -4.663 -5.513 3.371) 7.968 7.265 ( -16.161 0.011 -7.628) 17.870 7.952 ( 7.167 -1.510 3.181) 7.986 9.016 ( -2.606 -28.113 0.294) 28.235 9.183 ( 15.565 -26.997 3.805) 31.394 9.829 ( -12.643 -7.097 -8.846) 16.984 9.924 ( 4.350 -4.717 13.333) 14.796 10.551 ( 3.676 -9.568 -3.387) 10.795 10.636 ( -0.543 -11.128 7.924) 13.672 11.210 ( 0.547 -15.099 4.444) 15.749 11.352 ( -1.678 -5.778 1.422) 6.183 11.789 ( 2.151 -5.229 -3.591) 6.698 11.856 ( -2.481 -4.783 -2.495) 5.937 12.456 ( -4.821 3.243 -0.585) 5.840 12.903 ( -6.741 0.070 6.806) 9.579 13.294 ( -0.582 26.883 2.956) 27.051 13.785 ( -1.565 20.629 -1.573) 20.748 14.174 ( 12.352 -5.322 -2.454) 13.672 14.709 ( -0.920 0.062 -3.632) 3.747 15.307 ( 0.969 -18.428 -1.361) 18.503 15.919 ( -5.901 -4.497 -1.730) 7.618 18.803 ( 9.932 -22.502 -1.770) 24.660 19.426 ( 1.786 -4.531 4.147) 6.396 21.472 ( -5.158 0.637 2.012) 5.573 23.284 ( 4.765 1.577 -10.392) 11.541 23.965 ( 4.692 -11.647 0.687) 12.576 25.778 ( -4.707 14.586 -14.010) 20.765 27.645 ( 0.200 -3.054 13.308) 13.655 28.227 ( -8.266 5.097 6.790) 11.849 ======================= Grid point 301 (133/429) ======================= q-point: (-0.14 -0.57 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.667 ( -13.863 -4.244 -5.897) 15.651 4.595 ( -11.927 -10.180 10.155) 18.682 4.963 ( 1.558 5.519 -2.766) 6.367 5.104 ( -1.550 -5.542 -3.162) 6.566 5.520 ( 7.715 5.214 7.254) 11.803 6.224 ( 17.682 -4.290 -5.040) 18.880 6.431 ( 5.413 -1.823 6.736) 8.832 6.692 ( -1.890 -6.855 0.492) 7.128 7.135 ( -16.690 1.416 -9.158) 19.090 8.026 ( 5.710 -1.537 4.411) 7.378 9.470 ( 5.076 -17.252 7.333) 19.421 9.725 ( 12.715 -18.432 2.166) 22.496 9.801 ( -14.730 -2.721 -20.192) 25.142 10.014 ( 0.391 -0.972 15.166) 15.202 10.635 ( -0.184 -1.777 3.452) 3.887 10.848 ( -5.573 -6.543 3.197) 9.170 11.324 ( 3.473 4.151 0.485) 5.434 11.473 ( -0.937 -8.254 3.776) 9.125 11.770 ( 0.450 -3.116 -4.754) 5.702 12.104 ( 0.080 -11.702 -7.135) 13.706 12.457 ( -5.271 -8.011 5.538) 11.074 12.797 ( -5.981 14.521 1.200) 15.751 12.962 ( 1.467 3.364 8.377) 9.146 13.329 ( -0.967 24.846 -2.475) 24.988 14.381 ( 9.961 -8.424 -0.427) 13.053 14.685 ( -1.492 1.206 -5.536) 5.859 15.645 ( 0.963 -15.669 0.959) 15.727 15.968 ( -3.927 -2.335 -0.731) 4.627 19.208 ( 8.936 -14.474 -0.995) 17.040 19.504 ( -0.465 -3.062 0.907) 3.227 21.389 ( -4.164 4.768 2.256) 6.721 23.255 ( 4.096 1.793 -10.880) 11.763 24.159 ( 2.947 -6.462 1.344) 7.228 25.484 ( -3.945 10.505 -8.652) 14.169 27.713 ( -0.733 -1.578 11.990) 12.116 28.108 ( -5.903 3.765 5.204) 8.724 ======================= Grid point 302 (134/429) ======================= q-point: (-0.07 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( -3.474 -3.704 3.089) 5.943 4.616 ( -2.155 6.594 10.325) 12.440 4.965 ( -3.215 -7.025 0.526) 7.744 5.125 ( 1.858 1.269 -3.611) 4.255 5.499 ( 0.793 1.887 5.912) 6.257 6.297 ( 0.083 -0.607 -12.381) 12.396 6.546 ( 16.404 -0.269 9.736) 19.077 6.789 ( -0.474 -3.560 2.567) 4.414 6.994 ( -14.269 1.885 -8.669) 16.802 8.087 ( 3.754 -0.824 5.310) 6.555 9.577 ( -8.220 4.783 -12.981) 16.092 9.825 ( -3.071 0.158 -3.072) 4.347 9.878 ( 6.908 0.630 0.746) 6.976 10.138 ( 5.131 -6.357 16.974) 18.838 10.605 ( -5.289 6.776 -3.331) 9.219 10.844 ( 0.674 0.388 7.042) 7.085 11.304 ( 1.016 -0.615 -0.175) 1.200 11.540 ( -2.374 0.083 1.745) 2.947 11.868 ( 0.614 -4.134 -4.050) 5.819 12.261 ( -1.338 -8.702 -1.841) 8.994 12.546 ( -0.007 6.418 3.695) 7.406 12.656 ( -4.598 -2.993 4.009) 6.795 12.918 ( 3.471 8.586 -4.140) 10.145 12.970 ( -1.446 0.067 6.575) 6.732 14.546 ( 3.087 -1.156 0.648) 3.360 14.640 ( 1.464 -0.884 -6.314) 6.542 15.876 ( 0.239 -6.406 2.454) 6.864 15.919 ( -2.200 5.009 -0.129) 5.472 19.422 ( 2.846 -3.825 -0.189) 4.772 19.547 ( -2.405 -2.391 -1.432) 3.681 21.290 ( -0.464 3.727 2.237) 4.371 23.231 ( 3.865 0.810 -11.796) 12.440 24.242 ( -1.186 -1.262 0.518) 1.808 25.345 ( 2.018 1.472 -4.353) 5.019 27.723 ( -2.674 1.989 9.028) 9.623 28.065 ( -2.529 -1.176 7.358) 7.869 ======================= Grid point 310 (135/429) ======================= q-point: (-0.50 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -8.401 -0.000 12.794) 15.306 3.355 ( -32.374 -0.000 2.969) 32.510 3.587 ( 3.164 0.000 -1.323) 3.429 4.009 ( 6.836 0.000 0.928) 6.899 5.488 ( -25.875 -0.000 -0.837) 25.889 5.876 ( 1.924 0.000 2.730) 3.339 6.377 ( 10.603 0.000 -0.800) 10.633 6.661 ( 22.986 0.000 5.811) 23.709 7.425 ( -5.317 -0.000 -11.775) 12.920 7.685 ( 1.515 0.000 -0.251) 1.536 7.840 ( -5.565 -0.000 -5.483) 7.812 7.922 ( 2.889 0.000 -2.406) 3.760 8.753 ( 1.801 0.000 1.056) 2.087 8.870 ( 1.322 0.000 7.763) 7.874 9.493 ( 4.832 0.000 -6.432) 8.045 9.558 ( 2.981 0.000 -9.851) 10.292 10.136 ( -10.753 -0.000 9.140) 14.113 10.233 ( -0.874 -0.000 -0.331) 0.935 10.666 ( 4.843 0.000 15.463) 16.204 12.202 ( -3.063 -0.000 -1.214) 3.295 13.077 ( 2.362 0.000 -17.142) 17.304 13.669 ( -1.085 -0.000 16.568) 16.603 13.820 ( -1.951 -0.000 1.573) 2.506 14.406 ( 1.964 0.000 4.732) 5.124 14.618 ( -2.464 -0.000 8.311) 8.668 14.807 ( 0.443 0.000 -1.260) 1.336 15.699 ( 3.114 0.000 3.217) 4.477 16.762 ( -0.245 -0.000 0.830) 0.865 17.190 ( -6.840 -0.000 0.437) 6.854 19.225 ( 14.147 0.000 -14.331) 20.138 20.099 ( -0.425 -0.000 1.412) 1.475 21.207 ( 0.371 0.000 -1.034) 1.099 23.421 ( 2.472 0.000 -6.639) 7.084 26.709 ( 13.562 0.000 -35.990) 38.460 27.277 ( -2.729 -0.000 13.391) 13.666 28.773 ( -18.056 -0.000 22.346) 28.729 ======================= Grid point 311 (136/429) ======================= q-point: (-0.43 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -13.424 -34.521 7.262) 37.744 3.228 ( -36.883 -10.828 -1.045) 38.454 3.807 ( 3.359 -16.773 -3.510) 17.463 4.173 ( 10.593 -12.117 4.442) 16.696 5.269 ( -26.381 2.824 -0.401) 26.535 5.995 ( -2.267 -7.379 3.930) 8.662 6.375 ( 5.770 3.853 -7.837) 10.467 6.768 ( 11.884 0.985 9.220) 15.074 7.359 ( -4.104 2.512 -10.316) 11.383 7.691 ( 2.950 7.460 4.171) 9.041 7.748 ( 3.719 -2.459 -3.868) 5.902 7.882 ( -7.732 0.797 -7.700) 10.941 8.809 ( 8.305 -4.303 -3.219) 9.892 9.075 ( 0.455 -15.684 11.854) 19.665 9.531 ( -0.002 -4.530 -1.933) 4.925 9.679 ( 13.546 -8.435 -10.448) 19.074 10.125 ( -5.569 -4.534 5.514) 9.054 10.419 ( -3.051 -17.216 1.635) 17.561 10.735 ( 4.216 -1.251 16.150) 16.738 12.193 ( 3.107 0.651 -2.011) 3.758 13.027 ( 1.149 3.586 -15.095) 15.558 13.628 ( -3.799 7.166 15.617) 17.597 13.760 ( -1.019 2.199 2.946) 3.814 14.353 ( 0.646 6.349 0.356) 6.392 14.467 ( 0.371 3.739 8.356) 9.162 15.165 ( -3.474 -11.875 -6.780) 14.108 15.636 ( 5.525 0.442 10.458) 11.836 16.710 ( 1.343 8.723 -9.310) 12.828 17.013 ( -12.479 9.057 3.087) 15.726 19.010 ( 12.194 17.032 -3.541) 21.245 20.340 ( -3.078 -22.198 2.215) 22.519 21.657 ( 5.009 -38.506 -5.286) 39.188 23.422 ( 3.035 0.258 -6.384) 7.074 26.683 ( 11.180 3.557 -37.558) 39.347 27.302 ( -1.748 -1.489 15.772) 15.938 28.682 ( -16.546 3.012 20.857) 26.793 ======================= Grid point 312 (137/429) ======================= q-point: (-0.36 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( -25.022 -31.131 -4.431) 40.186 3.347 ( -32.918 -23.938 -2.517) 40.780 4.171 ( 11.954 -17.139 0.147) 20.896 4.562 ( 3.206 -20.599 5.097) 21.461 5.169 ( -16.492 -7.758 0.683) 18.238 6.050 ( -3.065 0.704 4.755) 5.701 6.294 ( -0.329 3.583 -12.405) 12.916 6.799 ( 2.463 3.412 3.843) 5.698 7.241 ( 2.204 6.513 5.005) 8.504 7.657 ( -8.286 -4.211 -5.135) 10.619 7.783 ( 8.874 -6.153 -11.712) 15.930 7.957 ( -4.115 -9.857 3.692) 11.301 9.011 ( 11.177 -11.848 -2.144) 16.429 9.396 ( 3.202 -11.893 15.499) 19.797 9.687 ( 2.962 -12.272 -4.507) 13.405 9.974 ( 10.960 -16.587 -8.644) 21.679 10.253 ( -1.960 -9.804 5.571) 11.445 10.773 ( -5.097 -17.493 1.872) 18.316 10.833 ( 3.069 -7.434 14.734) 16.786 12.202 ( 8.581 1.970 -1.428) 8.920 12.886 ( -2.052 8.241 -11.327) 14.157 13.424 ( -9.579 12.485 11.880) 19.717 13.801 ( 2.890 -5.054 4.589) 7.413 14.254 ( 0.960 4.502 0.258) 4.610 14.436 ( -3.010 1.223 4.436) 5.498 15.004 ( 2.696 16.701 -4.184) 17.427 15.628 ( 0.883 17.254 0.441) 17.282 16.463 ( -11.666 16.679 -9.218) 22.344 17.000 ( 4.615 -22.726 -1.875) 23.265 18.959 ( 7.404 -4.049 9.970) 13.063 20.793 ( -2.908 -24.720 1.262) 24.923 22.447 ( 9.387 -38.471 -7.443) 40.293 23.426 ( 3.466 0.049 -5.444) 6.454 26.553 ( 5.756 8.311 -35.338) 36.755 27.379 ( 0.212 -3.792 17.241) 17.654 28.552 ( -14.826 4.622 17.850) 23.660 ======================= Grid point 313 (138/429) ======================= q-point: (-0.29 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( -32.005 -17.903 -10.770) 38.221 3.637 ( -29.486 -24.079 -0.496) 38.072 4.517 ( 11.505 -10.570 -0.237) 15.625 4.952 ( 1.459 -17.822 2.863) 18.109 5.370 ( -3.456 -15.752 2.549) 16.327 6.009 ( 8.020 3.915 1.968) 9.139 6.231 ( -3.980 -1.837 -10.426) 11.310 6.659 ( -2.549 9.323 4.064) 10.485 7.202 ( -5.982 -0.477 6.629) 8.942 7.745 ( -2.930 -10.768 -8.896) 14.271 8.057 ( -0.873 -15.701 -5.868) 16.784 8.204 ( 8.390 -19.218 1.617) 21.032 9.367 ( 7.632 -18.810 -0.051) 20.299 9.603 ( 3.585 -6.060 18.135) 19.454 9.979 ( 7.018 -14.871 -7.183) 17.944 10.339 ( 3.743 -15.197 -0.648) 15.664 10.503 ( 4.147 -16.737 2.517) 17.426 10.915 ( -6.267 -8.010 11.428) 15.298 11.191 ( 0.331 -19.583 1.215) 19.623 12.183 ( 10.081 7.074 0.650) 12.333 12.673 ( -6.875 8.509 -9.734) 14.643 13.128 ( -11.920 12.541 9.936) 19.952 13.960 ( 8.353 -5.117 4.349) 10.718 14.190 ( 2.292 4.590 -3.182) 6.037 14.327 ( -7.583 10.043 2.658) 12.862 14.762 ( 5.596 7.043 0.166) 8.997 15.197 ( 0.642 21.317 -6.247) 22.223 16.031 ( -13.688 14.255 -7.640) 21.188 17.677 ( 11.388 -36.330 -2.697) 38.169 19.167 ( 5.541 -9.190 11.593) 15.797 21.177 ( -4.545 -17.098 1.177) 17.731 23.101 ( 11.113 -23.358 -9.795) 27.660 23.463 ( 3.783 -4.608 -1.974) 6.280 26.309 ( -0.808 12.299 -29.367) 31.849 27.500 ( 1.464 -4.518 17.277) 17.917 28.409 ( -13.220 4.794 13.469) 19.472 ======================= Grid point 314 (139/429) ======================= q-point: (-0.21 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( -27.561 -9.449 -10.915) 31.113 3.929 ( -25.204 -23.277 5.579) 34.759 4.746 ( 6.086 -9.604 -3.380) 11.862 5.157 ( 3.808 -1.574 -4.606) 6.180 5.603 ( -1.889 -7.916 5.973) 10.095 6.047 ( 14.706 -1.613 -9.002) 17.318 6.306 ( 7.050 -5.370 3.735) 9.617 6.529 ( -3.932 2.353 6.795) 8.196 7.160 ( -13.574 -0.355 -1.664) 13.680 7.924 ( 1.944 -6.614 1.763) 7.116 8.394 ( -8.249 -28.019 -9.140) 30.605 8.754 ( 15.006 -28.200 0.554) 31.949 9.650 ( -3.048 -7.426 -3.657) 8.821 9.838 ( 8.270 -11.174 22.754) 26.664 10.269 ( 4.128 -14.363 -8.717) 17.301 10.558 ( 2.761 -6.491 9.146) 11.550 10.900 ( 3.889 -19.425 -0.665) 19.822 11.107 ( -5.855 -14.545 6.525) 16.982 11.530 ( 1.243 -15.801 -0.719) 15.867 12.019 ( 3.108 13.575 -0.207) 13.928 12.493 ( -7.566 4.116 -7.005) 11.102 12.911 ( -8.122 5.281 7.040) 11.976 13.821 ( -1.007 27.026 3.531) 27.274 14.038 ( 0.145 6.825 2.740) 7.356 14.222 ( 8.673 1.484 -5.764) 10.519 14.733 ( 0.401 3.109 2.430) 3.966 15.025 ( 2.537 -7.431 -7.099) 10.585 15.812 ( -10.962 0.188 -4.576) 11.880 18.377 ( 13.470 -29.771 -3.193) 32.832 19.362 ( 4.578 -5.835 8.589) 11.348 21.378 ( -6.443 -7.493 1.608) 10.012 23.313 ( 6.560 -0.499 -11.121) 12.921 23.738 ( 7.826 -16.325 0.877) 18.125 25.985 ( -6.174 14.162 -22.031) 26.908 27.616 ( 1.320 -3.401 16.501) 16.900 28.272 ( -11.422 4.340 8.881) 15.105 ======================= Grid point 315 (140/429) ======================= q-point: (-0.14 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( -17.318 -8.360 -6.353) 20.253 4.226 ( -18.079 -19.949 7.854) 28.045 4.934 ( -1.282 -8.980 -4.994) 10.355 5.107 ( 4.751 6.375 -3.536) 8.701 5.656 ( 1.597 2.323 5.868) 6.510 6.176 ( 6.139 -6.043 -13.798) 16.266 6.481 ( 18.695 -3.142 6.699) 20.106 6.560 ( -1.420 -5.165 9.415) 10.833 7.060 ( -13.680 1.339 -5.246) 14.712 8.020 ( 2.324 -2.604 3.981) 5.294 8.943 ( -8.555 -34.331 -6.600) 35.991 9.376 ( 15.280 -26.776 0.419) 30.832 9.688 ( -4.347 -0.639 -5.866) 7.329 10.043 ( 3.947 -1.958 19.760) 20.246 10.544 ( -1.011 -13.703 -8.179) 15.990 10.676 ( 0.720 -3.740 13.254) 13.790 11.227 ( 0.198 -13.813 1.758) 13.926 11.354 ( 0.873 -9.189 3.989) 10.055 11.789 ( -0.060 3.960 -4.615) 6.082 11.831 ( 1.020 -11.722 -5.239) 12.880 12.388 ( -6.184 1.698 -0.982) 6.488 12.842 ( -6.560 0.107 4.018) 7.693 13.304 ( -0.913 25.214 5.570) 25.838 13.745 ( -4.191 20.214 -0.610) 20.653 14.314 ( 12.659 -4.410 -2.501) 13.637 14.691 ( -0.221 1.436 -3.166) 3.483 15.316 ( 1.576 -18.764 -1.515) 18.891 15.837 ( -6.639 -7.082 -2.059) 9.924 18.933 ( 13.264 -21.416 -2.870) 25.354 19.470 ( 2.966 -2.147 4.874) 6.096 21.407 ( -7.144 -0.143 2.089) 7.444 23.301 ( 4.950 2.210 -10.577) 11.885 24.040 ( 7.632 -10.156 1.421) 12.783 25.646 ( -8.560 12.653 -14.906) 21.344 27.703 ( 0.568 -2.014 15.138) 15.282 28.147 ( -9.232 3.787 5.411) 11.351 ======================= Grid point 316 (141/429) ======================= q-point: (-0.07 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.543 ( -5.301 -9.394 -0.086) 10.787 4.487 ( -12.160 -14.908 8.842) 21.173 4.971 ( 0.514 4.416 -4.070) 6.027 5.073 ( -0.869 -3.361 -2.079) 4.046 5.604 ( 2.327 4.914 6.259) 8.290 6.239 ( -2.426 -1.686 -12.274) 12.625 6.648 ( 9.751 -4.664 -5.198) 11.994 6.697 ( 7.750 -3.416 15.587) 17.739 6.956 ( -5.932 1.625 -3.556) 7.104 8.081 ( 0.756 -2.092 4.346) 4.882 9.469 ( -11.821 -23.890 -14.280) 30.239 9.628 ( 2.701 1.433 0.639) 3.123 9.867 ( 9.302 -13.621 -2.674) 16.710 10.088 ( 0.788 -0.934 18.779) 18.819 10.645 ( 0.909 0.206 -1.620) 1.869 10.806 ( -4.820 -6.583 9.736) 12.703 11.355 ( 1.209 2.156 -0.292) 2.489 11.491 ( 2.279 -4.981 3.967) 6.764 11.748 ( -0.463 -4.822 -6.866) 8.403 12.097 ( 3.201 -10.593 -7.174) 13.188 12.410 ( -5.494 -9.829 4.011) 11.953 12.730 ( -6.139 10.231 1.533) 12.030 13.003 ( -0.311 6.059 8.364) 10.333 13.304 ( -1.891 23.054 -1.189) 23.162 14.492 ( 8.906 -6.835 -0.528) 11.239 14.644 ( -2.176 2.065 -5.363) 6.145 15.664 ( 1.772 -15.843 0.612) 15.953 15.919 ( -3.770 -3.506 -0.563) 5.179 19.321 ( 10.716 -12.134 -1.696) 16.277 19.503 ( -0.220 -0.147 1.210) 1.239 21.340 ( -5.542 2.655 2.336) 6.574 23.263 ( 4.310 2.239 -11.021) 12.043 24.211 ( 5.003 -3.644 1.738) 6.429 25.392 ( -6.127 6.095 -8.791) 12.327 27.751 ( -0.845 0.056 13.072) 13.099 28.055 ( -6.095 1.427 4.310) 7.600 ======================= Grid point 325 (142/429) ======================= q-point: (-0.43 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -17.564 -0.000 11.180) 20.820 2.883 ( -43.871 -0.000 -2.934) 43.969 3.623 ( 3.065 0.000 -0.046) 3.065 4.137 ( 9.753 0.000 0.053) 9.753 5.098 ( -39.136 -0.000 1.631) 39.170 5.928 ( 4.648 0.000 4.104) 6.201 6.413 ( 1.279 0.000 -12.899) 12.962 6.869 ( 2.773 0.000 17.388) 17.608 7.303 ( -7.514 -0.000 -12.249) 14.370 7.702 ( 1.973 0.000 -1.782) 2.659 7.776 ( 1.471 0.000 -14.128) 14.205 7.946 ( 2.662 0.000 -2.083) 3.380 8.774 ( 0.686 0.000 0.921) 1.148 8.928 ( 3.107 0.000 8.544) 9.091 9.503 ( 3.701 0.000 3.057) 4.800 9.706 ( 23.513 0.000 -10.594) 25.789 10.069 ( -6.360 -0.000 10.417) 12.205 10.217 ( -1.529 -0.000 -0.713) 1.687 10.780 ( 4.080 0.000 14.873) 15.423 12.222 ( 7.460 0.000 -4.184) 8.553 13.041 ( 2.683 0.000 -15.659) 15.887 13.715 ( -2.506 -0.000 18.792) 18.958 13.797 ( -2.552 -0.000 0.873) 2.698 14.435 ( 0.150 0.000 4.067) 4.069 14.607 ( -4.860 -0.000 7.609) 9.029 14.809 ( 0.756 0.000 -1.252) 1.463 15.758 ( 4.206 0.000 5.194) 6.683 16.763 ( -0.225 -0.000 0.843) 0.872 17.066 ( -13.014 -0.000 -3.672) 13.522 19.322 ( 10.166 0.000 -9.551) 13.949 20.100 ( -0.452 -0.000 1.419) 1.489 21.208 ( 0.368 0.000 -1.019) 1.083 23.432 ( 3.530 0.000 -6.679) 7.555 26.707 ( 10.793 0.000 -42.690) 44.033 27.309 ( -1.548 -0.000 17.229) 17.299 28.655 ( -16.156 -0.000 22.058) 27.342 ======================= Grid point 326 (143/429) ======================= q-point: (-0.36 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -21.173 -31.517 4.667) 38.255 2.747 ( -41.912 -14.224 -1.193) 44.276 3.834 ( 0.579 -18.208 -1.034) 18.246 4.293 ( 5.991 -12.435 0.483) 13.812 4.900 ( -34.736 -3.916 3.455) 35.127 6.009 ( 1.134 -3.159 4.810) 5.865 6.338 ( -3.073 4.027 -14.777) 15.621 6.879 ( -0.617 0.988 13.989) 14.038 7.260 ( -5.627 -2.516 -10.129) 11.857 7.721 ( -2.313 -0.569 -9.214) 9.517 7.746 ( -2.584 13.339 -9.150) 16.381 7.820 ( 7.301 -3.497 2.363) 8.433 8.895 ( 8.539 -7.925 -5.096) 12.716 9.127 ( 0.209 -16.771 12.889) 21.153 9.580 ( 7.555 -3.452 4.903) 9.645 9.861 ( 22.013 -4.292 -9.320) 24.286 10.101 ( -1.879 -5.323 9.203) 10.796 10.397 ( -1.033 -16.588 0.704) 16.635 10.832 ( 2.176 -0.692 13.956) 14.141 12.265 ( 9.982 -0.007 -5.497) 11.395 12.994 ( 3.097 4.617 -12.699) 13.863 13.630 ( -5.899 11.132 15.499) 19.973 13.758 ( -1.708 -0.483 4.301) 4.653 14.355 ( -0.659 6.254 1.190) 6.401 14.475 ( -4.702 3.797 8.609) 10.518 15.115 ( -0.228 -10.729 -7.789) 13.260 15.739 ( 4.599 0.193 11.110) 12.026 16.678 ( -0.399 13.054 -11.092) 17.134 16.869 ( -12.216 4.605 -1.114) 13.102 19.109 ( 4.380 14.807 4.403) 16.056 20.335 ( 1.997 -21.177 -0.410) 21.275 21.699 ( 5.381 -41.564 -4.076) 42.108 23.439 ( 3.986 0.143 -6.461) 7.593 26.637 ( 6.973 4.476 -45.252) 46.005 27.356 ( -0.118 -2.174 19.116) 19.240 28.575 ( -15.131 3.105 21.850) 26.758 ======================= Grid point 327 (144/429) ======================= q-point: (-0.29 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -33.071 -24.768 -4.205) 41.531 2.971 ( -30.712 -27.956 -1.147) 41.547 4.245 ( -1.286 -25.297 0.211) 25.331 4.612 ( 2.957 -14.092 3.847) 14.904 4.954 ( -20.296 -20.116 3.870) 28.837 6.025 ( -4.504 0.247 -1.413) 4.727 6.226 ( -0.591 2.301 -9.208) 9.510 6.849 ( 2.150 6.621 4.189) 8.124 7.270 ( 0.086 4.650 2.468) 5.265 7.504 ( -10.514 -3.012 -10.520) 15.175 7.780 ( -2.308 -10.086 -5.289) 11.620 8.004 ( 8.048 -9.470 -0.256) 12.430 9.128 ( 11.028 -11.946 -5.046) 17.023 9.502 ( 3.314 -15.626 17.116) 23.412 9.742 ( 7.884 -9.462 -0.710) 12.336 10.099 ( 14.121 -11.147 -7.206) 19.380 10.285 ( 3.977 -11.201 10.399) 15.793 10.713 ( -5.772 -14.438 2.380) 15.730 10.920 ( 3.513 -7.650 10.038) 13.100 12.308 ( 8.784 0.606 -5.127) 10.189 12.836 ( 1.706 11.733 -8.006) 14.306 13.343 ( -11.722 15.141 11.993) 22.594 13.848 ( 2.182 -8.265 4.025) 9.448 14.267 ( 0.658 3.748 2.253) 4.422 14.390 ( -7.252 3.343 3.994) 8.929 15.034 ( 5.185 12.700 -4.859) 14.553 15.620 ( -3.258 20.129 1.133) 20.423 16.282 ( -12.306 21.810 -12.437) 27.961 17.066 ( 8.616 -30.833 -3.670) 32.224 19.075 ( 4.178 -5.095 15.556) 16.894 20.778 ( 0.617 -22.464 -0.797) 22.486 22.550 ( 12.951 -39.793 -5.867) 42.256 23.451 ( 4.206 -0.142 -5.498) 6.924 26.446 ( 0.287 9.190 -41.860) 42.858 27.461 ( 1.813 -4.192 19.728) 20.250 28.449 ( -14.555 4.958 19.083) 24.506 ======================= Grid point 328 (145/429) ======================= q-point: (-0.21 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -31.151 -18.615 -6.618) 36.888 3.296 ( -28.780 -26.967 2.358) 39.510 4.610 ( 5.578 -9.792 -4.002) 11.958 4.960 ( -1.694 -21.362 2.429) 21.567 5.297 ( -10.726 -20.709 5.964) 24.073 5.976 ( -6.791 -1.513 -14.400) 15.993 6.287 ( 10.875 -6.406 7.301) 14.581 6.679 ( 3.927 11.678 2.054) 12.491 7.122 ( -10.010 4.294 0.571) 10.908 7.664 ( -3.976 -15.804 -7.016) 17.743 7.991 ( -5.324 -12.193 -3.414) 13.735 8.342 ( 12.206 -22.145 -2.060) 25.369 9.433 ( 6.263 -14.284 -5.107) 16.411 9.768 ( 9.906 -6.886 23.134) 26.090 10.027 ( 4.589 -14.726 -6.168) 16.612 10.393 ( 5.251 -13.488 1.007) 14.509 10.591 ( 8.865 -15.016 5.661) 18.333 10.853 ( -9.420 -9.117 7.411) 15.059 11.223 ( 3.421 -17.061 1.715) 17.485 12.299 ( 7.063 6.503 -0.607) 9.620 12.545 ( -7.479 13.768 -7.771) 17.489 13.041 ( -7.785 11.137 7.523) 15.532 14.071 ( 7.688 -8.246 2.582) 11.565 14.207 ( 1.278 4.148 -0.022) 4.341 14.232 ( -8.869 10.236 3.084) 13.890 14.833 ( 6.253 8.706 0.057) 10.719 15.175 ( -0.636 19.898 -5.892) 20.762 15.824 ( -16.131 11.985 -9.113) 22.066 17.821 ( 15.228 -37.023 -4.610) 40.297 19.281 ( 5.406 -8.271 14.135) 17.247 21.130 ( -3.671 -15.132 0.343) 15.575 23.213 ( 14.288 -18.854 -10.267) 25.789 23.513 ( 5.860 -7.952 -0.414) 9.887 26.149 ( -6.530 12.358 -33.723) 36.505 27.592 ( 2.488 -3.996 19.256) 19.823 28.302 ( -13.849 4.825 14.076) 20.327 ======================= Grid point 329 (146/429) ======================= q-point: (-0.14 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( -22.810 -14.237 -4.262) 27.224 3.677 ( -21.578 -27.105 6.923) 35.330 4.765 ( 0.359 -7.090 -5.992) 9.290 5.191 ( 4.557 -2.080 -3.454) 6.085 5.581 ( -4.872 -11.315 4.905) 13.260 6.006 ( -5.462 -8.934 -13.710) 17.252 6.508 ( -3.538 -0.665 8.866) 9.569 6.582 ( 24.964 -1.886 7.540) 26.146 7.008 ( -9.686 1.553 -2.282) 10.072 7.938 ( -0.735 -10.315 3.520) 10.924 8.236 ( -11.265 -26.139 -12.619) 31.134 8.916 ( 12.523 -29.150 -2.490) 31.824 9.643 ( 3.578 -5.313 -3.163) 7.144 10.028 ( 8.514 -8.027 25.072) 27.668 10.260 ( -0.380 -11.221 -8.591) 14.138 10.624 ( 2.241 -7.269 9.339) 12.045 10.937 ( 2.171 -16.694 -1.292) 16.884 11.090 ( -0.029 -17.095 7.531) 18.680 11.545 ( 1.631 -15.216 -1.082) 15.341 12.041 ( 0.565 18.904 -0.514) 18.919 12.365 ( -9.146 0.444 -7.372) 11.756 12.868 ( -2.580 5.642 4.089) 7.430 13.807 ( -4.264 26.356 3.988) 26.995 14.014 ( -4.321 11.514 2.822) 12.617 14.326 ( 11.220 -4.218 -4.347) 12.750 14.760 ( 2.095 5.688 2.837) 6.692 15.027 ( 2.247 -8.392 -6.819) 11.044 15.660 ( -11.549 -4.013 -4.861) 13.158 18.536 ( 15.841 -29.252 -4.782) 33.608 19.455 ( 5.379 -4.097 9.571) 11.718 21.303 ( -7.125 -6.654 1.492) 9.862 23.348 ( 6.541 1.057 -11.345) 13.138 23.860 ( 12.555 -15.612 1.613) 20.099 25.796 ( -11.252 13.024 -24.107) 29.620 27.701 ( 1.875 -2.345 18.224) 18.470 28.165 ( -12.283 3.717 8.581) 15.438 ======================= Grid point 330 (147/429) ======================= q-point: (-0.07 -0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( -9.582 -14.363 0.439) 17.272 4.061 ( -14.977 -22.919 8.322) 28.615 4.867 ( -5.851 -6.574 -6.902) 11.184 5.167 ( 6.695 5.652 -1.636) 8.913 5.668 ( -1.818 -0.508 3.199) 3.715 6.137 ( -2.683 -6.756 -9.742) 12.155 6.510 ( -4.845 -4.713 -2.120) 7.084 6.791 ( 14.825 -1.048 10.763) 18.350 6.966 ( 5.242 -0.215 0.778) 5.303 8.039 ( -1.814 -2.798 4.244) 5.398 8.780 ( -11.574 -36.477 -12.820) 40.359 9.499 ( 5.758 -23.961 -3.490) 24.889 9.711 ( 9.341 -1.055 0.127) 9.402 10.143 ( -0.601 1.578 18.268) 18.346 10.494 ( -1.601 -14.143 -3.938) 14.768 10.738 ( 0.881 -1.875 12.531) 12.701 11.227 ( -0.381 -12.917 -0.967) 12.959 11.408 ( 4.577 -11.119 7.098) 13.964 11.757 ( -1.150 8.369 -7.183) 11.089 11.838 ( 2.929 -15.536 -4.685) 16.489 12.307 ( -6.452 -0.243 -2.079) 6.783 12.788 ( -4.322 2.416 1.715) 5.240 13.306 ( -3.233 23.021 7.307) 24.369 13.690 ( -4.978 19.184 0.519) 19.826 14.442 ( 10.806 -3.519 -4.010) 12.052 14.676 ( -0.997 3.671 -1.657) 4.149 15.333 ( 2.415 -19.308 -1.594) 19.524 15.756 ( -5.558 -9.836 -1.600) 11.410 19.081 ( 13.794 -20.121 -4.037) 24.727 19.532 ( 4.201 0.368 5.219) 6.710 21.324 ( -8.344 -0.744 2.208) 8.663 23.318 ( 4.934 2.777 -11.112) 12.471 24.158 ( 11.577 -7.847 1.997) 14.128 25.466 ( -12.331 9.662 -15.296) 21.895 27.771 ( 0.811 -0.739 16.893) 16.929 28.054 ( -9.761 2.327 4.302) 10.918 ======================= Grid point 340 (148/429) ======================= q-point: (-0.36 -0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -24.460 -0.000 10.928) 26.790 2.352 ( -45.049 -0.000 0.578) 45.053 3.652 ( 1.486 0.000 0.572) 1.592 4.115 ( -21.238 -0.000 -3.468) 21.519 4.690 ( -23.364 -0.000 4.541) 23.801 6.015 ( 7.110 0.000 5.358) 8.903 6.321 ( -8.564 -0.000 -13.233) 15.762 6.860 ( -12.555 -0.000 14.076) 18.862 7.162 ( -8.493 -0.000 -12.076) 14.763 7.717 ( 2.025 0.000 -2.925) 3.557 7.766 ( 7.804 0.000 -22.073) 23.412 7.968 ( 2.230 0.000 -1.767) 2.845 8.776 ( -0.768 -0.000 1.752) 1.912 9.002 ( 4.015 0.000 8.231) 9.158 9.611 ( 9.823 0.000 5.636) 11.325 9.950 ( 16.541 0.000 -1.767) 16.636 10.127 ( 16.238 0.000 9.153) 18.641 10.193 ( -2.022 -0.000 -0.880) 2.205 10.862 ( 0.980 0.000 11.956) 11.996 12.307 ( 8.928 0.000 -9.141) 12.778 13.045 ( 8.124 0.000 -11.570) 14.137 13.744 ( -4.527 -0.000 14.266) 14.967 13.778 ( -1.989 -0.000 7.958) 8.203 14.440 ( -2.517 -0.000 5.459) 6.011 14.559 ( -6.806 -0.000 3.809) 7.799 14.815 ( 1.003 0.000 -1.262) 1.612 15.831 ( 3.944 0.000 6.902) 7.949 16.763 ( -0.215 -0.000 0.858) 0.885 16.870 ( -16.320 -0.000 -7.567) 17.989 19.394 ( 7.077 0.000 -4.762) 8.530 20.099 ( -0.476 -0.000 1.414) 1.492 21.208 ( 0.359 0.000 -1.012) 1.074 23.453 ( 4.368 0.000 -6.848) 8.122 26.623 ( 5.115 0.000 -54.241) 54.481 27.372 ( 0.313 0.000 20.580) 20.583 28.569 ( -13.567 -0.000 25.941) 29.275 ======================= Grid point 341 (149/429) ======================= q-point: (-0.29 -0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -28.406 -25.776 3.473) 38.515 2.275 ( -38.630 -20.640 5.182) 44.104 3.754 ( -18.757 -14.052 0.462) 23.441 4.219 ( -19.474 -26.861 1.821) 33.227 4.642 ( -5.598 -2.532 2.360) 6.581 6.019 ( -5.105 3.193 2.930) 6.696 6.241 ( -1.982 0.705 -11.029) 11.228 6.858 ( -9.508 -4.008 8.163) 13.157 7.164 ( -4.869 -8.179 -7.864) 12.346 7.608 ( -1.484 11.211 -19.166) 22.254 7.738 ( 0.263 6.972 -2.182) 7.310 7.915 ( 6.950 -3.144 -0.394) 7.638 8.961 ( 6.510 -13.000 -7.038) 16.153 9.182 ( 1.279 -15.396 12.780) 20.050 9.706 ( 8.921 -3.313 2.436) 9.823 10.056 ( 12.998 -2.697 2.303) 13.473 10.191 ( 9.288 -4.510 8.360) 13.285 10.441 ( 12.101 -12.853 1.667) 17.731 10.887 ( -0.573 -0.822 9.854) 9.905 12.327 ( 3.586 0.009 -11.522) 12.067 13.041 ( 12.859 5.656 -7.258) 15.812 13.610 ( -8.043 15.977 17.472) 25.005 13.750 ( -2.569 -2.565 4.172) 5.530 14.353 ( -0.560 5.522 2.370) 6.035 14.420 ( -9.601 3.792 7.338) 12.665 15.100 ( 2.589 -10.846 -8.061) 13.759 15.812 ( 0.102 3.721 10.422) 11.067 16.608 ( -4.474 16.477 -12.509) 21.165 16.742 ( -6.481 -2.811 -4.684) 8.476 19.149 ( -2.670 11.906 12.486) 17.458 20.392 ( 9.291 -20.562 -3.188) 22.788 21.759 ( 7.553 -46.836 -3.013) 47.537 23.465 ( 4.610 0.066 -6.737) 8.164 26.487 ( -0.547 4.724 -57.379) 57.575 27.443 ( 1.763 -2.693 21.214) 21.457 28.502 ( -12.599 4.415 27.565) 30.627 ======================= Grid point 342 (150/429) ======================= q-point: (-0.21 -0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -32.776 -24.643 2.548) 41.086 2.605 ( -31.458 -27.726 -0.120) 41.932 4.115 ( -22.040 -36.902 4.548) 43.223 4.665 ( 3.981 -10.375 1.716) 11.244 4.769 ( -12.021 -25.059 3.183) 27.975 5.918 ( -9.918 0.869 -6.260) 11.761 6.230 ( 3.237 -2.079 -3.763) 5.381 6.855 ( -3.634 1.996 2.172) 4.680 7.230 ( -3.984 11.753 -7.868) 14.694 7.429 ( 3.505 -8.454 -3.153) 9.679 7.727 ( -3.863 -8.916 -2.462) 10.024 8.084 ( 5.710 -10.907 -2.913) 12.652 9.227 ( 10.295 -11.640 -9.107) 18.011 9.581 ( 0.238 -21.367 13.234) 25.135 9.851 ( 9.640 -5.959 -0.048) 11.333 10.225 ( 9.757 -7.936 0.940) 12.612 10.437 ( 12.114 -11.500 12.839) 21.068 10.678 ( -0.664 -5.713 3.923) 6.962 10.992 ( 4.311 -9.861 5.335) 12.012 12.304 ( -4.561 -0.489 -11.216) 12.118 12.910 ( 13.017 17.688 -0.501) 21.967 13.248 ( -11.284 15.249 11.413) 22.139 13.883 ( 2.185 -11.304 1.694) 11.637 14.260 ( -6.831 4.817 2.310) 8.672 14.335 ( -1.168 2.119 5.706) 6.197 15.083 ( 6.101 9.511 -5.197) 12.437 15.552 ( -9.061 20.481 1.049) 22.420 16.080 ( -13.639 26.645 -14.040) 33.061 17.175 ( 12.955 -37.132 -5.650) 39.731 19.170 ( 0.467 -8.025 19.834) 21.401 20.809 ( 5.826 -17.928 -2.365) 18.998 22.721 ( 20.507 -41.349 -5.076) 46.434 23.481 ( 4.532 -0.463 -5.511) 7.150 26.231 ( -7.704 8.612 -51.133) 52.422 27.566 ( 2.988 -4.311 20.134) 20.806 28.364 ( -13.383 6.915 24.811) 29.026 ======================= Grid point 343 (151/429) ======================= q-point: (-0.14 -0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -27.606 -20.719 0.566) 34.520 2.991 ( -25.492 -31.625 5.785) 41.030 4.610 ( -3.183 -13.608 -4.356) 14.638 4.938 ( -2.646 -24.320 1.964) 24.542 5.195 ( -9.375 -22.369 6.412) 25.087 5.846 ( -5.801 -0.456 -11.868) 13.218 6.396 ( 0.282 -11.456 5.734) 12.814 6.764 ( 7.729 6.573 1.949) 10.332 7.011 ( -4.013 4.982 -4.045) 7.569 7.613 ( -0.604 -12.796 -7.018) 14.606 7.921 ( -5.304 -9.644 -0.201) 11.008 8.454 ( 8.847 -24.927 -3.703) 26.709 9.486 ( 7.042 -11.692 -8.283) 15.966 9.967 ( 5.140 -12.905 21.472) 25.573 10.040 ( 5.303 -9.797 -6.780) 13.041 10.461 ( 4.048 -11.418 3.484) 12.606 10.725 ( 2.953 -5.576 3.689) 7.309 10.801 ( 2.888 -15.631 11.325) 19.517 11.273 ( 4.105 -14.427 1.354) 15.060 12.263 ( -8.905 -1.593 -8.666) 12.528 12.504 ( -0.018 26.551 3.318) 26.758 13.022 ( 1.876 9.215 2.904) 9.842 14.083 ( -8.312 7.407 -1.124) 11.190 14.177 ( 3.063 -12.320 -2.536) 12.946 14.266 ( 3.723 9.585 10.547) 14.731 14.903 ( 5.611 9.686 -0.119) 11.194 15.135 ( -2.444 16.295 -5.511) 17.375 15.593 ( -16.807 9.542 -9.494) 21.532 17.990 ( 16.835 -37.506 -6.412) 41.608 19.391 ( 3.559 -8.498 15.272) 17.836 21.099 ( -1.479 -11.472 -0.200) 11.569 23.342 ( 14.012 -8.084 -13.218) 20.890 23.620 ( 13.459 -16.327 2.789) 21.342 25.897 ( -13.328 10.810 -38.814) 42.438 27.697 ( 2.806 -3.491 18.389) 18.926 28.199 ( -13.665 6.104 18.589) 23.865 ======================= Grid point 344 (152/429) ======================= q-point: (-0.07 -0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( -15.913 -20.228 3.556) 25.982 3.479 ( -17.250 -30.514 8.959) 36.179 4.718 ( -3.882 -4.668 -6.123) 8.623 5.238 ( 5.648 -4.566 -2.809) 7.787 5.537 ( -4.845 -13.564 2.968) 14.706 5.893 ( -6.216 -11.759 -7.583) 15.311 6.447 ( -9.593 1.317 1.444) 9.791 6.839 ( 5.438 -2.328 6.093) 8.492 7.010 ( 17.402 -2.728 2.766) 17.830 7.940 ( -1.069 -15.181 3.864) 15.701 8.044 ( -12.215 -19.960 -14.759) 27.667 9.025 ( 8.469 -28.520 -3.383) 29.943 9.692 ( 6.609 -6.929 -5.157) 10.876 10.162 ( -6.248 -3.143 6.995) 9.891 10.253 ( 8.990 -10.328 9.913) 16.904 10.670 ( -0.594 -8.238 8.350) 11.744 10.937 ( 0.140 -15.856 -3.102) 16.157 11.174 ( 7.522 -16.470 10.034) 20.701 11.560 ( 1.614 -14.291 -0.393) 14.387 12.025 ( -2.472 21.456 -1.187) 21.631 12.236 ( -8.187 -2.312 -6.304) 10.588 12.881 ( 3.186 7.964 0.566) 8.596 13.749 ( -7.793 22.503 3.896) 24.131 13.974 ( -4.719 15.581 3.677) 16.690 14.435 ( 9.886 -5.278 -4.579) 12.106 14.793 ( 1.182 8.483 3.407) 9.218 15.029 ( 2.492 -10.136 -6.218) 12.150 15.517 ( -9.400 -9.028 -3.932) 13.613 18.702 ( 15.696 -28.505 -5.808) 33.055 19.552 ( 4.687 -3.266 9.405) 11.004 21.226 ( -6.714 -4.840 1.424) 8.398 23.377 ( 5.911 2.248 -12.191) 13.734 24.049 ( 18.722 -13.607 2.136) 23.243 25.541 ( -16.270 10.617 -25.710) 32.224 27.793 ( 1.982 -1.681 17.288) 17.482 28.055 ( -12.430 3.948 11.244) 17.220 ======================= Grid point 355 (153/429) ======================= q-point: (-0.29 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -29.197 -0.000 12.308) 31.685 1.854 ( -42.789 -0.000 10.748) 44.118 3.584 ( -61.137 -0.000 3.125) 61.217 3.660 ( -0.500 -0.000 0.604) 0.783 4.632 ( 4.627 0.000 -0.204) 4.631 6.113 ( -19.809 -0.000 -8.124) 21.410 6.132 ( 8.979 0.000 6.337) 10.990 6.735 ( -12.207 -0.000 2.438) 12.448 7.016 ( -8.861 -0.000 -11.419) 14.453 7.729 ( 2.126 0.000 -3.618) 4.197 7.773 ( 7.709 0.000 -24.396) 25.585 7.984 ( 1.643 0.000 -1.551) 2.259 8.777 ( -0.709 -0.000 3.666) 3.734 9.079 ( 3.994 0.000 7.039) 8.093 9.706 ( 4.200 0.000 -2.810) 5.053 10.139 ( 15.386 0.000 18.058) 23.724 10.165 ( -2.231 -0.000 -0.750) 2.354 10.487 ( 35.935 0.000 3.084) 36.067 10.890 ( -2.426 -0.000 7.164) 7.564 12.314 ( -0.547 -0.000 -15.451) 15.461 13.168 ( 18.145 0.000 -5.653) 19.005 13.716 ( -4.991 -0.000 4.596) 6.785 13.815 ( -2.464 -0.000 21.738) 21.877 14.403 ( -9.337 -0.000 9.164) 13.083 14.495 ( -3.239 -0.000 -2.780) 4.269 14.823 ( 1.138 0.000 -1.288) 1.718 15.891 ( 1.101 0.000 7.575) 7.654 16.642 ( -15.781 -0.000 -11.032) 19.254 16.764 ( -0.218 -0.000 0.873) 0.900 19.460 ( 6.166 0.000 -0.393) 6.178 20.099 ( -0.492 -0.000 1.397) 1.481 21.209 ( 0.347 0.000 -1.015) 1.072 23.480 ( 4.870 0.000 -7.299) 8.774 26.392 ( -5.732 -0.000 -70.926) 71.157 27.467 ( 1.984 0.000 21.435) 21.526 28.553 ( -7.823 -0.000 36.423) 37.254 ======================= Grid point 356 (154/429) ======================= q-point: (-0.21 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -33.116 -19.829 12.527) 40.581 1.891 ( -32.805 -26.812 8.271) 43.168 3.332 ( -51.577 -19.561 7.865) 55.719 4.058 ( -8.013 -33.416 2.684) 34.468 4.675 ( 6.675 -1.019 -1.514) 6.920 5.868 ( -19.139 4.763 -1.455) 19.777 6.244 ( 5.320 0.138 -5.400) 7.582 6.761 ( -7.975 -6.310 1.636) 10.300 7.083 ( -4.021 -15.088 -8.118) 17.599 7.559 ( 3.668 14.096 -15.134) 21.004 7.729 ( 0.183 6.054 -3.981) 7.248 7.972 ( 3.131 -2.455 -0.369) 3.995 8.994 ( 3.764 -17.083 -6.734) 18.744 9.255 ( 3.896 -13.426 9.681) 17.005 9.772 ( 3.762 -5.770 -4.835) 8.415 10.183 ( 2.970 -3.329 1.909) 4.852 10.341 ( 13.717 -6.865 18.150) 23.764 10.712 ( 24.547 0.021 3.964) 24.865 10.904 ( 2.475 -3.137 5.300) 6.637 12.250 ( -6.711 1.158 -15.705) 17.118 13.232 ( 21.127 5.288 -3.119) 22.001 13.571 ( -11.639 22.434 22.616) 33.915 13.733 ( -1.669 -4.724 1.178) 5.147 14.308 ( -11.226 5.052 2.798) 12.624 14.373 ( 0.358 2.102 6.652) 6.985 15.106 ( 3.108 -11.011 -7.708) 13.796 15.804 ( -7.347 10.766 6.858) 14.728 16.485 ( -8.091 16.822 -12.331) 22.372 16.693 ( 1.819 -10.079 -7.250) 12.548 19.143 ( -8.488 8.560 18.570) 22.139 20.537 ( 18.355 -19.602 -4.900) 27.297 21.871 ( 14.745 -57.066 -2.898) 59.011 23.495 ( 4.794 0.049 -7.281) 8.717 26.166 ( -13.547 3.003 -73.355) 74.656 27.548 ( 2.363 -2.952 19.399) 19.764 28.512 ( -6.402 8.150 40.672) 41.972 ======================= Grid point 357 (155/429) ======================= q-point: (-0.14 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -28.875 -24.436 12.240) 39.758 2.243 ( -30.798 -30.182 3.968) 43.304 3.814 ( -31.223 -49.590 9.896) 59.431 4.668 ( -4.540 -31.103 4.051) 31.693 4.741 ( 5.308 -3.172 -2.067) 6.520 5.759 ( -13.988 -3.345 -4.427) 15.048 6.229 ( -0.376 -1.840 -7.424) 7.657 6.803 ( -4.589 -1.834 1.244) 5.096 7.191 ( 4.019 10.778 -11.237) 16.080 7.506 ( 8.893 -6.391 0.367) 10.957 7.674 ( -3.939 -8.608 -0.381) 9.474 8.113 ( 1.410 -12.618 -2.833) 13.009 9.300 ( 9.235 -12.142 -12.883) 19.967 9.612 ( -1.333 -20.522 7.655) 21.944 9.948 ( 7.729 -9.183 -1.899) 12.152 10.310 ( 1.352 -7.589 3.790) 8.589 10.601 ( 6.299 -8.744 13.118) 16.977 10.753 ( 7.893 0.565 8.503) 11.615 11.098 ( 13.146 -8.118 4.076) 15.979 12.161 ( -10.023 -0.495 -12.564) 16.079 13.032 ( -3.711 27.458 12.792) 30.518 13.225 ( 9.070 8.457 0.812) 12.427 13.915 ( 3.188 -13.530 -1.002) 13.936 14.152 ( -10.238 5.352 -0.077) 11.553 14.389 ( 3.371 0.604 10.073) 10.640 15.128 ( 4.484 5.825 -5.952) 9.459 15.420 ( -13.095 20.288 0.081) 24.148 15.863 ( -14.321 29.314 -13.024) 35.128 17.319 ( 15.476 -40.696 -7.345) 44.154 19.227 ( -4.249 -11.672 20.911) 24.322 20.897 ( 10.576 -11.426 -2.884) 15.835 23.010 ( 33.432 -40.169 -7.563) 52.806 23.517 ( 5.170 -1.899 -4.195) 6.923 25.866 ( -18.732 4.757 -61.700) 64.656 27.666 ( 1.671 -4.371 14.920) 15.637 28.343 ( -9.404 11.574 37.823) 40.657 ======================= Grid point 358 (156/429) ======================= q-point: (-0.07 -0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -21.063 -24.474 9.322) 33.609 2.752 ( -20.298 -36.231 10.538) 42.846 4.508 ( -11.522 -24.321 -0.113) 26.913 4.930 ( 0.476 -21.339 1.108) 21.373 5.146 ( -2.116 -20.862 4.060) 21.358 5.748 ( -5.224 -1.896 -8.121) 9.841 6.328 ( -11.182 -9.161 -1.767) 14.563 6.804 ( -1.502 -1.665 2.420) 3.300 7.083 ( 15.850 1.122 -1.744) 15.985 7.579 ( -0.363 -6.631 -10.338) 12.287 7.871 ( -4.185 -6.919 3.885) 8.971 8.530 ( 6.652 -27.754 -2.677) 28.665 9.533 ( 7.424 -10.553 -11.942) 17.581 9.956 ( -5.768 -14.425 -0.816) 15.557 10.179 ( 9.238 -9.468 10.227) 16.721 10.481 ( -4.653 -10.248 6.086) 12.795 10.713 ( 0.589 -6.247 -0.763) 6.321 10.985 ( 12.803 -11.517 14.513) 22.521 11.334 ( 5.288 -10.625 2.819) 12.199 12.119 ( -7.725 -2.729 -8.910) 12.104 12.490 ( -6.430 27.664 7.507) 29.377 13.105 ( 11.123 10.952 -1.562) 15.688 13.972 ( -8.694 8.468 -0.696) 12.157 14.196 ( 1.216 -5.964 -2.482) 6.573 14.352 ( 2.941 3.649 9.972) 11.019 14.960 ( 3.845 11.031 0.274) 11.686 15.085 ( -1.817 9.326 -5.188) 10.825 15.371 ( -14.835 6.907 -8.399) 18.394 18.160 ( 16.373 -37.526 -7.214) 41.573 19.467 ( -0.612 -10.040 14.206) 17.406 21.095 ( 0.928 -6.475 -0.422) 6.555 23.419 ( 8.351 0.115 -15.167) 17.314 23.873 ( 27.207 -19.792 3.448) 33.821 25.545 ( -20.010 6.637 -43.339) 48.195 27.773 ( -0.389 -3.865 9.791) 10.533 28.146 ( -10.053 9.499 31.163) 34.094 ======================= Grid point 370 (157/429) ======================= q-point: (-0.21 -0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -31.785 -0.000 15.715) 35.458 1.455 ( -36.768 -0.000 27.763) 46.072 2.821 ( -71.823 -0.000 11.752) 72.778 3.646 ( -1.917 -0.000 0.292) 1.939 4.708 ( 7.999 0.000 -1.794) 8.197 5.815 ( -26.046 -0.000 -3.902) 26.337 6.268 ( 9.863 0.000 6.685) 11.914 6.613 ( -6.493 -0.000 -8.435) 10.645 6.872 ( -8.615 -0.000 -10.075) 13.256 7.740 ( 2.272 0.000 -3.986) 4.588 7.756 ( 4.520 0.000 -23.034) 23.473 7.994 ( 0.960 0.000 -1.490) 1.773 8.789 ( -0.164 -0.000 5.568) 5.570 9.144 ( 3.072 0.000 5.194) 6.034 9.710 ( 1.045 0.000 -7.810) 7.879 10.137 ( -2.024 -0.000 -0.260) 2.041 10.426 ( 18.665 0.000 20.303) 27.579 10.817 ( -4.192 -0.000 1.885) 4.596 10.985 ( 37.092 0.000 5.537) 37.503 12.197 ( -7.168 -0.000 -17.648) 19.048 13.387 ( 18.966 0.000 -1.291) 19.010 13.671 ( -5.072 -0.000 3.922) 6.412 13.876 ( -3.040 -0.000 25.944) 26.121 14.312 ( -8.886 -0.000 7.279) 11.487 14.465 ( -1.001 -0.000 -1.787) 2.049 14.832 ( 1.132 0.000 -1.324) 1.742 15.891 ( -6.548 -0.000 4.997) 8.237 16.442 ( -9.548 -0.000 -12.474) 15.709 16.765 ( -0.232 -0.000 0.884) 0.914 19.545 ( 8.354 0.000 0.943) 8.407 20.098 ( -0.497 -0.000 1.373) 1.460 21.209 ( 0.333 0.000 -1.026) 1.079 23.509 ( 4.819 0.000 -8.122) 9.444 25.915 ( -26.055 -0.000 -89.766) 93.471 27.565 ( 1.336 0.000 17.232) 17.283 28.704 ( 6.561 0.000 55.516) 55.903 ======================= Grid point 371 (158/429) ======================= q-point: (-0.14 -0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -27.157 -20.288 30.279) 45.452 1.539 ( -33.430 -24.364 8.453) 42.221 2.731 ( -55.679 -35.711 18.355) 68.647 4.006 ( -3.396 -32.779 1.560) 32.992 4.754 ( 7.462 -0.303 -1.432) 7.604 5.608 ( -22.854 1.214 -1.715) 22.951 6.275 ( 4.058 5.104 -9.472) 11.499 6.718 ( -0.324 -5.868 1.822) 6.153 7.011 ( -1.427 -22.253 -11.294) 24.996 7.567 ( 4.872 10.201 -8.220) 13.978 7.715 ( 0.533 5.850 -4.898) 7.648 7.989 ( -0.227 -0.719 1.130) 1.358 9.002 ( 1.743 -18.557 -5.941) 19.562 9.344 ( 6.767 -12.549 4.409) 14.924 9.784 ( 3.208 -8.884 -8.333) 12.596 10.183 ( -1.973 -5.513 1.586) 6.066 10.587 ( 11.821 -2.490 13.917) 18.428 10.763 ( -8.604 -0.662 5.924) 10.467 11.212 ( 36.729 2.248 6.841) 37.429 12.093 ( -8.571 1.823 -13.988) 16.506 13.404 ( -4.105 10.144 10.237) 14.985 13.561 ( 5.984 22.238 14.089) 26.997 13.729 ( 1.578 -6.698 -1.403) 7.023 14.186 ( -9.587 5.173 0.404) 10.901 14.427 ( 3.394 0.064 10.447) 10.984 15.102 ( 0.214 -9.044 -7.172) 11.545 15.704 ( -10.959 14.204 1.126) 17.976 16.327 ( -11.085 23.724 -11.497) 28.598 16.725 ( 8.062 -21.288 -7.471) 23.958 19.085 ( -14.425 4.667 20.258) 25.303 20.777 ( 24.801 -14.267 -5.670) 29.168 22.129 ( 36.022 -76.212 -9.308) 84.808 23.521 ( 4.562 -0.119 -7.538) 8.812 25.584 ( -35.258 -3.269 -87.357) 94.261 27.624 ( -0.311 -2.740 12.603) 12.901 28.695 ( 6.553 17.097 60.288) 63.008 ======================= Grid point 372 (159/429) ======================= q-point: (-0.07 -0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -25.899 -24.732 15.583) 39.055 1.962 ( -21.908 -35.190 19.279) 45.716 3.509 ( -27.051 -59.396 14.008) 66.753 4.656 ( 0.860 -33.064 1.822) 33.126 4.805 ( 6.023 -1.565 -0.337) 6.232 5.553 ( -18.603 -8.387 -3.049) 20.633 6.180 ( -0.711 1.943 -12.093) 12.269 6.773 ( -1.736 -1.607 0.847) 2.513 7.225 ( 8.092 3.783 -10.683) 13.925 7.583 ( 1.735 5.053 -5.982) 8.020 7.672 ( 4.657 -14.865 8.406) 17.701 8.107 ( -0.710 -15.427 -0.204) 15.444 9.343 ( 7.042 -14.228 -15.801) 22.399 9.617 ( -0.400 -15.123 2.165) 15.283 10.021 ( 6.286 -12.307 -4.055) 14.402 10.291 ( -6.445 -7.094 5.636) 11.118 10.643 ( -3.288 -2.675 1.490) 4.493 10.891 ( 6.052 -9.173 14.755) 18.398 11.335 ( 21.456 3.353 7.135) 22.859 12.025 ( -4.368 -1.379 -8.230) 9.419 12.947 ( -15.764 24.100 15.192) 32.560 13.407 ( 17.500 11.892 -2.449) 21.300 13.954 ( 4.593 -14.143 -2.573) 15.091 14.045 ( -6.662 5.056 -1.635) 8.521 14.467 ( 1.492 1.729 12.545) 12.751 15.093 ( -8.609 0.968 -7.381) 11.382 15.311 ( -1.678 20.875 0.297) 20.945 15.657 ( -13.068 28.574 -10.052) 32.989 17.474 ( 15.642 -42.247 -8.047) 45.763 19.219 ( -9.981 -15.249 17.944) 25.577 21.020 ( 11.315 -4.725 -2.493) 12.513 23.372 ( 26.804 -16.378 -24.852) 40.053 23.653 ( 28.514 -19.662 7.051) 35.347 25.324 ( -31.212 -5.184 -69.512) 76.374 27.698 ( -3.207 -3.884 6.469) 8.199 28.446 ( -2.600 19.083 53.660) 57.012 ======================= Grid point 385 (160/429) ======================= q-point: (-0.14 -0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -31.107 -0.000 21.975) 38.086 1.209 ( -29.462 -0.000 41.332) 50.758 2.049 ( -69.532 -0.000 30.854) 76.070 3.621 ( -2.345 -0.000 -0.189) 2.352 4.798 ( 8.009 0.000 -0.025) 8.009 5.503 ( -23.944 -0.000 -3.157) 24.152 6.401 ( 8.231 0.000 4.849) 9.553 6.518 ( -2.388 -0.000 -15.283) 15.468 6.748 ( -6.324 -0.000 -6.609) 9.147 7.704 ( 0.048 0.000 -17.392) 17.392 7.752 ( 2.405 0.000 -4.120) 4.771 7.995 ( 0.231 0.000 -1.606) 1.623 8.822 ( 2.025 0.000 8.472) 8.711 9.186 ( 1.353 0.000 2.945) 3.242 9.685 ( 0.828 0.000 -11.210) 11.241 10.118 ( -1.339 -0.000 0.561) 1.452 10.622 ( -8.063 -0.000 0.469) 8.076 10.719 ( -0.280 -0.000 11.882) 11.885 11.520 ( 46.964 0.000 6.986) 47.481 12.061 ( -3.767 -0.000 -12.378) 12.938 13.504 ( -6.155 -0.000 9.522) 11.338 13.683 ( 9.357 0.000 -0.299) 9.362 13.895 ( -8.357 -0.000 14.740) 16.944 14.328 ( 6.971 0.000 9.502) 11.785 14.474 ( 3.641 0.000 9.457) 10.134 14.839 ( 0.989 0.000 -1.363) 1.684 15.753 ( -17.446 -0.000 -3.815) 17.858 16.344 ( -0.570 -0.000 -8.690) 8.709 16.765 ( -0.255 -0.000 0.890) 0.926 19.632 ( 6.216 0.000 -14.646) 15.910 20.098 ( -0.491 -0.000 1.345) 1.432 21.209 ( 0.321 0.000 -1.044) 1.093 23.531 ( 4.540 0.000 -8.007) 9.205 25.076 ( -57.881 -0.000 -88.672) 105.891 27.614 ( -1.891 -0.000 10.389) 10.560 29.188 ( 36.891 0.000 73.339) 82.094 ======================= Grid point 386 (161/429) ======================= q-point: (-0.07 -0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -34.762 -20.678 13.118) 42.521 1.363 ( -16.327 -23.108 43.166) 51.613 2.249 ( -40.152 -51.524 33.128) 73.241 3.980 ( -1.829 -33.695 0.735) 33.752 4.836 ( 6.541 0.389 0.737) 6.593 5.349 ( -18.659 -0.562 -3.118) 18.926 6.271 ( 3.266 7.758 -14.000) 16.336 6.731 ( -0.471 -1.862 -0.040) 1.921 6.983 ( 4.920 -28.333 -12.778) 31.468 7.614 ( 5.801 2.457 1.672) 6.518 7.710 ( 2.105 6.029 -4.982) 8.099 7.982 ( -2.071 1.219 3.256) 4.047 8.991 ( 0.201 -17.759 -5.742) 18.665 9.452 ( 11.475 -10.687 -2.479) 15.876 9.785 ( 3.052 -13.032 -12.226) 18.128 10.163 ( -3.041 -4.408 3.191) 6.233 10.536 ( -16.498 -2.765 2.220) 16.875 10.799 ( 1.375 -4.424 8.801) 9.946 11.683 ( 36.634 11.646 8.178) 39.301 11.995 ( -0.386 1.339 -4.512) 4.723 13.272 ( -23.408 18.977 20.967) 36.711 13.678 ( 2.784 7.580 -0.372) 8.084 13.801 ( 10.988 -3.276 0.572) 11.480 14.117 ( -0.772 7.686 0.132) 7.726 14.528 ( 4.846 1.153 14.589) 15.416 15.032 ( -8.261 -1.573 -6.884) 10.868 15.606 ( -3.110 8.437 -2.090) 9.232 16.151 ( -11.466 30.678 -8.512) 33.839 16.812 ( 11.207 -29.796 -7.655) 32.741 18.940 ( -23.088 -2.026 16.380) 28.381 21.025 ( 19.108 -5.017 -5.431) 20.488 22.650 ( 64.805 -96.529 -56.842) 129.416 23.574 ( 11.969 -4.026 1.633) 12.733 24.699 ( -59.442 -13.717 -71.373) 93.892 27.633 ( -4.058 -1.829 6.644) 7.997 29.116 ( 20.430 36.092 72.202) 83.266 ======================= Grid point 400 (162/429) ======================= q-point: (-0.07 -0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -23.270 -0.000 31.059) 38.809 0.933 ( -42.216 -0.000 27.449) 50.355 1.633 ( -29.407 -0.000 76.932) 82.361 3.594 ( -1.842 -0.000 -0.758) 1.992 4.893 ( 6.566 0.000 3.496) 7.439 5.258 ( -14.374 -0.000 -4.155) 14.963 6.442 ( 0.423 0.000 -18.023) 18.028 6.450 ( -2.004 -0.000 -3.896) 4.381 6.720 ( 4.179 0.000 3.608) 5.521 7.671 ( 3.570 0.000 0.550) 3.612 7.765 ( 2.496 0.000 -4.071) 4.775 7.987 ( -0.503 -0.000 -1.897) 1.963 8.926 ( 10.464 0.000 9.007) 13.807 9.196 ( -0.875 -0.000 0.674) 1.105 9.651 ( 2.179 0.000 -11.975) 12.171 10.112 ( -0.310 -0.000 1.501) 1.532 10.392 ( -21.496 -0.000 8.145) 22.987 10.759 ( -4.675 -0.000 -0.236) 4.681 11.986 ( 15.388 0.000 -1.034) 15.423 12.161 ( 37.270 0.000 -3.327) 37.419 13.372 ( -21.017 -0.000 10.174) 23.350 13.784 ( -3.148 -0.000 5.377) 6.231 13.858 ( 5.875 0.000 0.795) 5.928 14.412 ( 5.313 0.000 -1.320) 5.475 14.783 ( 34.068 0.000 24.497) 41.961 14.844 ( 0.735 0.000 -1.398) 1.580 15.471 ( -24.727 -0.000 -6.157) 25.482 16.345 ( 4.163 0.000 -3.855) 5.673 16.765 ( -0.281 -0.000 0.889) 0.932 19.277 ( -59.589 -0.000 -57.437) 82.764 20.097 ( -0.473 -0.000 1.320) 1.402 21.208 ( 0.313 0.000 -1.065) 1.110 23.615 ( 15.712 0.000 5.678) 16.707 24.189 ( -34.309 -0.000 -18.515) 38.987 27.604 ( -4.552 -0.000 5.759) 7.341 30.077 ( 65.230 0.000 46.075) 79.861 ======================= Grid point 401 (163/429) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -3.698 -0.000 29.743) 29.972 1.514 ( 7.843 0.000 33.853) 34.750 3.469 ( -0.644 -0.000 75.691) 75.694 3.535 ( -1.318 -0.000 -2.316) 2.665 4.837 ( -5.346 -0.000 -11.741) 12.901 5.262 ( 5.810 0.000 10.231) 11.766 5.962 ( 4.573 0.000 -21.074) 21.564 6.257 ( -7.305 -0.000 -2.622) 7.761 6.934 ( 10.867 0.000 0.115) 10.868 7.690 ( 2.664 0.000 -3.445) 4.355 7.928 ( -1.239 -0.000 -1.625) 2.043 7.954 ( 9.267 0.000 6.312) 11.212 8.998 ( -0.997 -0.000 -4.021) 4.143 9.144 ( -4.134 -0.000 -1.470) 4.387 9.510 ( 11.322 0.000 -7.700) 13.692 10.098 ( -13.381 -0.000 -27.006) 30.139 10.175 ( 0.828 0.000 2.715) 2.839 10.661 ( -11.637 -0.000 11.690) 16.495 11.882 ( 10.178 0.000 -18.591) 21.195 12.637 ( 14.019 0.000 17.689) 22.571 13.356 ( -19.162 -0.000 13.815) 23.623 13.570 ( -9.630 -0.000 -9.104) 13.252 14.111 ( 5.169 0.000 6.874) 8.601 14.470 ( -5.439 -0.000 1.556) 5.657 14.809 ( 0.577 0.000 -1.950) 2.033 14.836 ( 1.579 0.000 -1.302) 2.047 15.605 ( 7.207 0.000 3.783) 8.139 16.370 ( 6.616 0.000 -4.331) 7.907 16.787 ( -0.415 -0.000 1.182) 1.253 18.049 ( -25.951 -0.000 -9.630) 27.680 20.131 ( -0.666 -0.000 1.944) 2.055 21.179 ( 0.471 0.000 -1.635) 1.701 23.765 ( -12.427 -0.000 4.696) 13.285 24.389 ( 48.456 0.000 -10.567) 49.595 27.639 ( -7.305 -0.000 4.175) 8.414 30.553 ( -0.666 -0.000 -2.620) 2.703 ======================= Grid point 402 (164/429) ======================= q-point: ( 0.07 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 17.465 -11.398 29.924) 36.475 2.031 ( 3.250 -46.319 24.451) 52.477 3.565 ( 8.898 -11.269 41.334) 43.757 4.030 ( -5.928 -33.960 21.308) 40.527 4.770 ( 2.177 0.791 -11.427) 11.660 5.304 ( 5.131 0.449 10.552) 11.742 5.879 ( 3.699 4.610 -15.837) 16.904 6.384 ( -6.193 -12.624 -5.743) 15.188 7.065 ( 9.496 -5.586 -5.654) 12.383 7.636 ( 1.599 5.517 0.305) 5.752 7.888 ( -1.479 0.706 0.988) 1.914 8.181 ( 4.900 -14.977 4.917) 16.507 8.785 ( -3.482 5.626 -6.387) 9.196 9.445 ( -4.383 -19.562 -5.888) 20.894 9.540 ( 11.101 1.138 -6.456) 12.892 10.003 ( -12.437 -4.176 -25.121) 28.341 10.234 ( -1.137 -4.027 3.948) 5.752 10.702 ( -8.590 -8.741 7.961) 14.614 11.926 ( 7.308 -2.209 -15.990) 17.719 12.607 ( 2.800 11.277 19.777) 22.938 13.180 ( -20.038 9.525 15.442) 27.032 13.500 ( 0.364 1.854 -6.772) 7.030 14.059 ( 2.047 7.983 7.376) 11.061 14.354 ( -9.489 4.076 1.271) 10.405 14.435 ( -7.489 13.241 4.889) 15.979 15.027 ( 15.531 1.282 -3.519) 15.976 15.569 ( -4.429 13.243 0.195) 13.965 16.271 ( 22.641 32.322 0.151) 39.463 16.863 ( 10.774 -38.471 -10.087) 41.205 18.285 ( -36.159 -28.721 3.775) 46.332 20.855 ( 0.621 -60.424 -26.676) 66.054 21.177 ( 0.297 0.228 -1.240) 1.295 23.732 ( -13.314 -3.493 3.262) 14.146 24.706 ( 48.563 -5.060 -16.561) 51.558 27.603 ( -7.070 0.125 4.548) 8.408 30.250 ( -8.481 24.941 9.967) 28.166 ======================= Grid point 403 (165/429) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 14.394 -25.227 24.027) 37.695 2.934 ( 4.900 -36.604 29.625) 47.345 4.136 ( 16.763 -31.573 26.384) 44.430 4.589 ( -10.885 -22.476 -2.160) 25.067 4.969 ( 11.875 -22.873 -2.443) 25.888 5.356 ( 4.771 -1.101 10.792) 11.851 5.816 ( 1.634 0.101 -9.652) 9.790 6.540 ( -3.220 -7.187 -4.848) 9.248 7.062 ( 2.320 9.000 -11.205) 14.558 7.672 ( 4.586 -9.075 5.569) 11.593 7.889 ( -2.347 -2.252 3.593) 4.846 8.569 ( -1.222 -21.712 5.194) 22.358 8.726 ( -4.194 -3.489 -14.881) 15.850 9.591 ( 6.448 -4.451 -6.034) 9.889 9.778 ( -3.243 -18.610 -5.315) 19.624 10.019 ( -10.899 -8.609 -17.421) 22.280 10.312 ( -1.220 -4.831 3.759) 6.242 10.902 ( -6.287 -15.035 3.619) 16.693 11.943 ( -2.082 1.740 -0.127) 2.716 12.419 ( -2.990 8.830 11.730) 14.983 12.901 ( -1.654 14.549 13.294) 19.778 13.451 ( -1.397 3.516 -2.927) 4.783 13.958 ( 0.509 4.579 1.635) 4.888 14.108 ( -17.465 10.318 0.823) 20.302 14.380 ( 5.559 -1.772 3.046) 6.582 14.961 ( 8.573 12.935 -7.523) 17.246 15.207 ( -1.090 15.727 1.186) 15.809 15.882 ( 22.988 22.792 0.748) 32.380 17.763 ( 11.717 -45.425 -10.333) 48.036 18.641 ( -35.559 -29.795 10.334) 47.529 21.168 ( -1.567 -0.336 0.451) 1.665 21.837 ( 4.098 -44.697 -39.592) 59.851 23.753 ( -14.471 -6.865 2.570) 16.221 25.039 ( 40.569 -5.209 -20.339) 45.680 27.575 ( -6.658 -0.620 5.383) 8.584 29.716 ( -9.268 26.896 22.743) 36.422 ======================= Grid point 404 (166/429) ======================= q-point: ( 0.21 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 10.415 -28.326 19.923) 36.163 3.574 ( 6.740 -23.292 32.813) 40.800 4.705 ( 1.155 -15.554 -0.995) 15.628 5.046 ( 11.223 -27.731 -1.497) 29.953 5.283 ( 8.687 2.634 -2.165) 9.332 5.607 ( 1.158 -21.895 0.673) 21.935 5.935 ( 0.543 -14.415 2.594) 14.656 6.575 ( -2.407 0.647 -2.575) 3.583 6.892 ( -0.447 3.948 -5.138) 6.495 7.897 ( 2.420 -6.977 4.716) 8.762 8.050 ( 3.350 -17.018 4.990) 18.048 8.656 ( -11.856 -4.949 -24.399) 27.575 9.095 ( -1.263 -25.582 11.478) 28.067 9.747 ( 1.514 -9.948 -3.080) 10.523 10.089 ( -10.273 -13.723 2.732) 17.359 10.148 ( -1.313 -16.952 -18.298) 24.978 10.443 ( 1.980 -8.978 -0.204) 9.196 11.178 ( -5.476 -16.570 2.541) 17.636 11.861 ( -10.515 2.737 16.488) 19.746 12.252 ( 2.051 11.670 -3.415) 12.331 12.728 ( 9.649 7.226 13.543) 18.131 13.302 ( -5.928 9.631 -2.475) 11.577 13.760 ( -4.210 17.148 0.696) 17.671 13.886 ( 0.337 7.082 -6.962) 9.936 14.451 ( -0.057 0.987 4.402) 4.512 14.777 ( -2.004 -1.367 -9.678) 9.978 15.016 ( 6.611 9.257 1.754) 11.509 15.704 ( 14.181 7.461 3.985) 16.512 18.541 ( 1.269 -33.374 -12.178) 35.549 19.016 ( -23.223 -25.311 14.022) 37.102 21.179 ( 2.014 -0.680 1.998) 2.917 22.436 ( 7.322 -23.764 -34.811) 42.780 23.836 ( -15.057 -10.550 1.974) 18.491 25.276 ( 31.062 -1.429 -19.141) 36.514 27.577 ( -5.685 -2.429 6.418) 8.911 29.251 ( -7.428 21.905 25.286) 34.270 ======================= Grid point 405 (167/429) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( 7.989 -23.363 18.127) 30.631 4.055 ( 7.475 -17.480 27.974) 33.823 4.947 ( 1.075 -10.972 -2.654) 11.339 5.199 ( 6.722 6.990 -5.063) 10.940 5.407 ( -4.897 -8.237 -8.740) 12.970 5.935 ( 10.379 -9.481 -3.661) 14.526 6.210 ( -6.943 -10.500 -7.856) 14.838 6.668 ( 5.987 -12.055 12.138) 18.125 6.868 ( -1.399 -0.460 -0.636) 1.605 8.040 ( 3.057 -6.162 6.191) 9.255 8.449 ( -5.131 -20.352 -9.339) 22.973 8.747 ( -5.640 -18.138 -8.040) 20.626 9.548 ( -4.126 -21.176 10.161) 23.847 9.956 ( 0.302 -11.314 0.561) 11.332 10.222 ( -11.555 -9.156 3.358) 15.120 10.466 ( 0.811 -15.390 -12.858) 20.071 10.705 ( 5.223 -17.257 -2.599) 18.217 11.444 ( -5.823 -13.627 2.791) 15.080 11.785 ( -5.974 3.900 7.723) 10.514 12.079 ( 6.229 4.926 5.577) 9.704 12.764 ( 7.375 -1.876 9.255) 11.982 13.037 ( -9.117 12.408 -1.970) 15.523 13.346 ( 6.675 25.763 -2.853) 26.766 13.732 ( -0.140 8.730 -3.804) 9.524 14.359 ( -6.469 3.695 -1.139) 7.536 14.826 ( 5.044 4.131 -6.820) 9.435 15.049 ( 0.325 -14.349 2.357) 14.545 15.764 ( 6.438 -5.078 4.754) 9.478 18.986 ( -11.249 -20.689 -10.650) 25.846 19.343 ( -10.048 -15.717 11.679) 22.009 21.226 ( 6.228 -0.975 3.476) 7.199 22.732 ( 8.838 -9.886 -27.242) 30.299 23.971 ( -13.514 -11.812 1.358) 18.000 25.386 ( 23.031 2.972 -14.932) 27.608 27.625 ( -4.372 -4.308 7.322) 9.554 28.894 ( -5.314 17.016 22.311) 28.558 ======================= Grid point 406 (168/429) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.898 ( 7.943 -11.446 17.571) 22.424 4.427 ( 5.196 -13.272 21.035) 25.409 5.027 ( 5.532 4.041 -4.734) 8.327 5.202 ( 0.013 -4.341 -2.820) 5.176 5.384 ( -14.126 -2.420 -8.661) 16.745 6.120 ( 8.463 -4.584 -2.275) 9.890 6.275 ( -6.878 -5.843 -11.827) 14.877 6.855 ( -2.927 -0.395 0.493) 2.994 6.945 ( 10.829 -5.244 9.997) 15.643 8.164 ( 1.846 -3.299 4.903) 6.192 8.721 ( -13.827 -20.692 -16.673) 29.956 9.192 ( -0.203 -24.742 7.421) 25.831 9.893 ( -0.301 -15.204 9.427) 17.892 10.128 ( -4.718 -8.132 -3.642) 10.083 10.357 ( -3.349 -8.746 12.850) 15.900 10.682 ( 3.104 -9.242 -9.364) 13.518 11.070 ( 5.234 -16.306 -4.619) 17.737 11.579 ( -5.993 -2.875 -0.694) 6.683 11.729 ( -0.935 -1.406 -0.564) 1.780 12.174 ( 3.045 -8.382 10.936) 14.112 12.732 ( -7.591 14.091 -1.453) 16.072 12.888 ( 1.337 -5.941 6.320) 8.776 12.935 ( 12.267 20.893 -0.465) 24.232 13.509 ( -1.295 14.479 -0.446) 14.544 14.300 ( -6.259 -2.674 -3.581) 7.690 14.749 ( 5.099 5.061 -3.364) 7.933 15.384 ( -1.150 -18.732 -0.494) 18.774 15.924 ( 1.711 -6.920 3.869) 8.111 19.207 ( -12.377 -12.752 -6.385) 18.884 19.515 ( -5.441 -5.990 5.800) 9.956 21.291 ( 7.259 -0.586 4.461) 8.541 22.850 ( 8.332 -3.153 -21.794) 23.545 24.108 ( -10.145 -9.314 1.682) 13.874 25.390 ( 15.964 5.796 -10.496) 19.965 27.710 ( -3.399 -5.429 8.201) 10.406 28.621 ( -3.708 13.267 17.514) 22.282 ======================= Grid point 407 (169/429) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.041 ( 8.899 4.407 15.963) 18.800 4.706 ( 1.977 -10.339 14.108) 17.602 4.993 ( 0.634 0.711 -6.871) 6.936 5.094 ( -8.898 6.847 -5.073) 12.320 5.488 ( -4.843 -10.296 3.394) 11.874 6.145 ( -7.936 0.301 -0.368) 7.951 6.369 ( 6.423 -5.019 -15.236) 17.279 6.853 ( -1.590 -0.965 2.729) 3.303 7.053 ( 11.337 0.837 5.744) 12.737 8.193 ( -4.077 -0.253 -0.084) 4.086 8.999 ( -8.481 -16.585 -6.156) 19.618 9.600 ( -2.595 -17.265 5.981) 18.455 10.108 ( 6.961 -2.274 8.197) 10.992 10.265 ( -11.196 -12.084 -1.927) 16.585 10.532 ( 4.178 -6.444 12.412) 14.596 10.823 ( 5.766 -4.623 -6.634) 9.931 11.284 ( 1.719 -3.391 -3.850) 5.411 11.554 ( -5.006 -0.512 -2.212) 5.497 11.750 ( -1.151 -0.691 -3.566) 3.810 12.415 ( -1.389 -4.025 4.011) 5.850 12.466 ( 2.494 1.225 0.909) 2.923 12.712 ( 5.949 8.205 3.045) 10.582 13.005 ( 0.244 -1.614 5.328) 5.572 13.191 ( -3.595 15.145 3.013) 15.855 14.364 ( -5.260 -7.304 -3.238) 9.565 14.686 ( 5.069 4.406 -2.827) 7.287 15.696 ( -1.468 -14.396 -0.659) 14.486 16.013 ( 0.138 -0.472 2.350) 2.401 19.326 ( -8.104 -7.857 -3.011) 11.682 19.551 ( -1.679 0.073 1.186) 2.057 21.341 ( 3.839 -0.291 4.983) 6.297 22.892 ( 7.468 -0.979 -19.256) 20.677 24.207 ( -5.882 -5.844 2.576) 8.683 25.327 ( 8.867 6.412 -7.381) 13.199 27.817 ( -3.181 -6.187 9.439) 11.726 28.409 ( -2.990 10.252 12.937) 16.776 ======================= Grid point 408 (170/429) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( 8.544 12.120 14.625) 20.828 4.812 ( -10.927 9.568 -6.482) 15.905 4.858 ( -2.410 -2.020 5.691) 6.502 5.076 ( 0.322 -4.232 4.997) 6.556 5.634 ( -1.716 -5.900 4.902) 7.860 6.080 ( -8.576 0.461 -0.755) 8.622 6.414 ( 3.788 0.535 -16.893) 17.320 6.888 ( 1.950 -1.618 4.177) 4.886 7.111 ( 13.568 1.117 4.226) 14.255 8.144 ( -8.552 0.746 -2.979) 9.087 9.182 ( -3.462 -5.729 -0.727) 6.733 9.825 ( -2.799 -6.658 4.980) 8.773 10.111 ( 6.824 7.543 7.064) 12.384 10.336 ( -11.100 -2.046 2.317) 11.522 10.669 ( 6.187 -1.701 5.660) 8.556 10.927 ( 4.390 -4.504 -2.990) 6.964 11.257 ( -3.914 0.727 -3.783) 5.491 11.541 ( 2.908 2.258 -3.294) 4.940 11.728 ( 0.410 1.770 -4.399) 4.759 12.227 ( 1.998 10.952 -1.552) 11.240 12.648 ( -0.323 -3.060 4.503) 5.454 12.734 ( -6.115 11.103 6.354) 14.179 12.872 ( 3.879 -13.093 -0.651) 13.671 13.138 ( -3.990 -3.283 8.672) 10.095 14.458 ( -2.936 -4.827 -3.668) 6.736 14.620 ( 3.975 4.792 -1.645) 6.440 15.881 ( -1.427 -5.380 0.359) 5.578 15.938 ( 0.937 8.762 0.321) 8.817 19.419 ( -1.620 -5.762 -0.751) 6.033 19.506 ( 2.347 4.889 -1.637) 5.665 21.365 ( -1.977 -0.634 5.373) 5.760 22.914 ( 6.758 -0.934 -19.018) 20.205 24.276 ( -0.607 -3.043 2.910) 4.254 25.234 ( 1.385 5.176 -5.879) 7.955 27.943 ( -3.706 -7.192 11.316) 13.911 28.246 ( -3.043 7.440 9.733) 12.624 ======================= Grid point 409 (171/429) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( 5.903 14.769 16.449) 22.881 4.539 ( -10.182 12.506 3.857) 16.582 4.782 ( -6.305 6.149 -3.474) 9.468 5.194 ( 2.895 -4.778 9.478) 11.002 5.693 ( -1.577 -0.256 1.236) 2.020 6.038 ( -6.514 -1.131 -3.150) 7.323 6.349 ( 3.112 4.638 -14.298) 15.350 6.932 ( 2.319 -0.600 3.764) 4.461 7.189 ( 15.732 0.556 2.399) 15.923 8.061 ( -11.059 1.357 -4.322) 11.950 9.077 ( -2.662 17.002 0.899) 17.233 9.816 ( -1.111 7.314 7.034) 10.208 9.970 ( 7.061 11.644 3.018) 13.948 10.293 ( -10.679 -0.606 4.709) 11.687 10.692 ( 5.711 3.419 1.748) 6.882 10.977 ( -1.605 -1.034 2.965) 3.526 11.229 ( -1.703 3.078 -10.547) 11.118 11.489 ( 6.375 3.622 -5.989) 9.467 11.717 ( 4.847 -0.709 3.619) 6.091 12.023 ( 3.547 12.628 -1.958) 13.262 12.432 ( -8.491 11.242 4.038) 14.656 12.730 ( -4.310 -4.466 3.414) 7.083 13.199 ( -6.181 -9.960 9.678) 15.201 13.293 ( 1.518 -19.818 1.056) 19.904 14.450 ( 4.281 4.860 -6.593) 9.242 14.593 ( -1.615 -2.147 0.878) 2.826 15.686 ( 1.807 17.534 -0.866) 17.648 15.891 ( -0.223 4.713 0.930) 4.809 19.371 ( 8.892 11.950 -3.196) 15.235 19.543 ( 1.353 -6.575 1.036) 6.793 21.359 ( -7.338 -0.412 5.698) 9.300 22.936 ( 6.262 -1.235 -20.649) 21.613 24.325 ( 6.314 0.259 1.912) 6.602 25.130 ( -6.418 3.050 -5.836) 9.195 28.071 ( -7.832 -4.347 7.658) 11.784 28.147 ( -0.236 0.732 14.675) 14.695 ======================= Grid point 410 (172/429) ======================= q-point: (-0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 0.275 18.148 20.430) 27.328 4.187 ( -9.291 21.841 13.616) 27.363 4.637 ( -4.143 2.787 -4.878) 6.981 5.296 ( 4.974 -1.203 6.433) 8.220 5.614 ( -3.274 6.751 -4.792) 8.903 6.023 ( -4.960 -0.312 -1.208) 5.115 6.241 ( 2.316 5.560 -11.188) 12.706 6.944 ( 0.869 1.044 2.279) 2.653 7.277 ( 14.971 -0.028 0.170) 14.972 7.919 ( -12.916 7.129 -7.831) 16.703 8.573 ( 0.627 31.877 7.820) 32.828 9.555 ( 3.660 21.244 5.006) 22.131 9.779 ( -0.429 11.953 -4.371) 12.734 10.230 ( -7.566 3.193 5.147) 9.692 10.640 ( 4.330 3.980 2.054) 6.230 10.985 ( 1.287 6.179 1.210) 6.426 11.028 ( -1.159 11.302 -8.611) 14.256 11.514 ( 0.279 -6.244 -5.493) 8.321 11.776 ( 8.086 3.744 11.498) 14.547 11.798 ( 5.081 10.580 -1.639) 11.851 12.249 ( -7.411 4.188 2.958) 9.011 12.776 ( -5.314 -4.795 2.137) 7.470 13.432 ( -6.685 -17.551 6.016) 19.721 13.674 ( -3.063 -19.160 2.237) 19.532 14.384 ( 6.664 2.651 -7.020) 10.035 14.663 ( -2.213 -6.319 0.474) 6.713 15.316 ( 3.340 22.070 -2.727) 22.487 15.720 ( 0.385 13.025 2.262) 13.226 19.131 ( 12.160 19.466 -3.840) 23.271 19.678 ( 3.491 -5.241 2.730) 6.864 21.311 ( -9.822 1.489 5.649) 11.428 22.949 ( 6.052 -0.539 -24.278) 25.026 24.337 ( 14.881 5.429 -0.408) 15.846 25.016 ( -14.033 1.752 -7.316) 15.922 28.003 ( -8.064 2.964 3.195) 9.166 28.313 ( -1.086 -10.373 22.880) 25.145 ======================= Grid point 411 (173/429) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -5.348 23.274 23.900) 33.786 3.671 ( -9.364 28.851 20.305) 36.502 4.618 ( 0.712 -0.678 0.755) 1.240 5.265 ( 5.191 10.725 -0.591) 11.930 5.420 ( -5.676 8.088 -7.167) 12.206 5.904 ( 0.008 13.512 8.869) 16.162 6.155 ( -6.527 0.342 -12.085) 13.739 6.907 ( -1.698 3.216 0.888) 3.744 7.341 ( -1.727 0.937 -11.212) 11.383 7.515 ( 9.300 26.482 -1.352) 28.100 8.149 ( -1.485 12.892 11.509) 17.346 9.137 ( 7.818 26.416 5.165) 28.029 9.484 ( -3.905 14.880 -13.151) 20.239 10.098 ( -3.539 8.534 2.809) 9.656 10.581 ( 1.111 7.952 0.588) 8.050 10.694 ( 0.450 13.130 -16.283) 20.922 10.813 ( -3.872 15.208 4.842) 16.423 11.534 ( 5.530 4.927 10.176) 12.586 11.635 ( 0.699 11.766 4.854) 12.747 11.976 ( 2.782 -20.595 2.366) 20.917 12.176 ( -1.672 -0.214 3.628) 4.000 12.924 ( 0.309 -12.038 1.314) 12.114 13.713 ( -6.687 -12.681 0.092) 14.337 14.012 ( -9.128 -21.514 3.859) 23.687 14.411 ( 6.119 -0.750 -4.328) 7.532 14.803 ( -2.386 -8.181 -1.878) 8.726 14.941 ( 4.890 14.910 -4.755) 16.396 15.448 ( 1.074 15.687 3.897) 16.200 18.752 ( 14.455 28.552 -4.237) 32.282 19.758 ( -0.037 -0.298 5.185) 5.194 21.214 ( -7.256 3.997 4.351) 9.357 22.920 ( 5.972 2.483 -31.047) 31.713 24.290 ( 23.483 10.905 -3.045) 26.070 24.852 ( -20.158 3.989 -9.979) 22.843 27.903 ( -8.826 2.925 2.652) 9.669 28.594 ( -0.235 -15.073 28.648) 32.372 ======================= Grid point 412 (174/429) ======================= q-point: (-0.21 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -10.079 31.829 21.625) 39.778 3.149 ( -6.426 25.486 34.250) 43.173 4.514 ( -3.016 21.053 7.177) 22.446 5.004 ( 3.687 12.046 0.250) 12.600 5.177 ( -5.679 14.485 -0.988) 15.590 5.622 ( -1.908 16.973 5.029) 17.805 5.977 ( -8.274 11.509 -11.741) 18.405 6.787 ( -4.969 5.955 -0.852) 7.802 7.074 ( 1.392 4.869 -14.937) 15.773 7.468 ( 15.128 1.916 2.825) 15.508 7.996 ( -3.856 5.537 8.031) 10.490 8.697 ( 10.418 26.938 7.955) 29.958 9.175 ( -1.612 11.775 -19.123) 22.515 9.858 ( -3.274 14.904 -1.011) 15.293 10.265 ( 1.632 19.654 -8.624) 21.525 10.498 ( -7.979 10.397 1.804) 13.229 10.564 ( -3.468 4.744 -10.190) 11.763 11.368 ( -6.693 14.459 7.312) 17.530 11.590 ( 13.869 -1.991 11.461) 18.101 12.088 ( 8.666 3.476 5.854) 11.021 12.593 ( -9.137 -34.037 7.862) 36.108 13.200 ( 7.385 -13.607 0.160) 15.483 13.829 ( -3.627 -5.156 -5.108) 8.113 14.282 ( 3.409 11.777 7.527) 14.386 14.382 ( -15.752 -16.972 -1.608) 23.211 14.834 ( 3.912 -7.051 -12.795) 15.123 15.045 ( -0.905 -11.455 -0.832) 11.521 15.236 ( 2.969 4.404 6.628) 8.494 18.200 ( 15.511 38.321 -4.633) 41.600 19.668 ( -10.373 8.827 8.065) 15.829 21.116 ( 1.133 4.389 0.978) 4.638 22.766 ( 4.902 11.643 -43.674) 45.464 24.204 ( 31.754 13.979 -4.959) 35.048 24.570 ( -24.799 10.101 -9.837) 28.527 27.805 ( -9.072 2.337 2.861) 9.795 29.001 ( 2.052 -21.682 32.767) 39.344 ======================= Grid point 413 (175/429) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( -10.100 31.827 23.594) 40.885 2.716 ( -6.779 27.756 38.137) 47.652 3.805 ( -8.498 41.689 26.188) 49.960 4.760 ( 1.113 34.140 7.844) 35.047 4.920 ( -2.725 2.420 -1.862) 4.093 5.251 ( -9.218 9.498 0.881) 13.265 5.828 ( 3.620 -0.296 -14.665) 15.109 6.672 ( -4.112 4.588 -5.117) 8.009 7.063 ( 6.838 1.585 -11.770) 13.704 7.518 ( 4.873 -1.442 1.065) 5.193 7.905 ( -0.135 4.143 5.674) 7.027 8.309 ( 10.125 20.715 10.973) 25.535 8.956 ( -0.600 7.769 -18.235) 19.830 9.561 ( -0.866 11.899 -3.141) 12.337 9.896 ( -0.424 18.330 -8.751) 20.316 10.308 ( -3.568 6.209 -3.606) 8.018 10.432 ( -8.430 4.004 -9.904) 13.608 11.056 ( -11.073 13.616 6.811) 18.825 11.774 ( 16.640 -4.110 1.112) 17.176 12.142 ( 12.522 -2.406 14.245) 19.118 13.142 ( -22.368 -29.091 17.828) 40.798 13.462 ( 6.339 -7.742 -5.343) 11.343 13.911 ( 2.020 -5.917 -5.412) 8.269 14.072 ( 11.422 8.783 4.981) 15.245 14.581 ( -18.687 -12.376 3.017) 22.616 14.872 ( -0.285 0.942 -6.170) 6.248 15.368 ( 7.990 -24.954 -2.630) 26.333 15.412 ( -1.649 -14.523 2.590) 14.844 17.490 ( 14.832 44.145 -5.507) 46.895 19.321 ( -23.657 18.800 7.845) 31.219 21.074 ( 10.295 3.828 -3.735) 11.601 22.251 ( -1.641 37.686 -58.374) 69.502 24.111 ( 28.038 17.368 -3.920) 33.214 24.215 ( -13.609 7.385 -2.607) 15.701 27.726 ( -8.594 1.098 3.519) 9.351 29.567 ( 5.540 -29.367 29.908) 42.280 ======================= Grid point 414 (176/429) ======================= q-point: (-0.07 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -2.389 15.325 30.947) 34.616 2.003 ( -13.092 44.326 25.840) 52.952 3.337 ( -1.919 10.350 53.909) 54.927 4.027 ( -4.033 37.930 12.567) 40.161 4.859 ( -9.012 -2.251 -9.051) 12.969 5.203 ( 4.259 -0.194 8.761) 9.743 5.891 ( 5.097 -5.471 -18.360) 19.824 6.484 ( -6.433 11.628 -7.556) 15.287 6.966 ( 10.178 9.147 -3.532) 14.133 7.619 ( 1.630 -6.047 -1.784) 6.512 7.874 ( 3.974 1.081 3.930) 5.693 8.081 ( 7.012 12.166 4.888) 14.868 8.843 ( -2.392 -2.559 -5.869) 6.835 9.448 ( 7.468 4.069 -4.458) 9.602 9.518 ( -2.909 17.333 -8.525) 19.534 10.191 ( -3.130 2.882 -9.288) 10.216 10.277 ( -9.010 4.668 -10.679) 14.732 10.789 ( -12.653 8.030 9.562) 17.777 11.866 ( 13.078 1.311 -14.523) 19.587 12.400 ( 17.092 -9.316 21.095) 28.704 13.397 ( -21.195 -6.842 13.368) 25.976 13.572 ( -10.536 -8.650 -5.528) 14.710 13.998 ( 4.162 -4.827 7.328) 9.712 14.242 ( 15.848 -12.485 2.635) 20.347 14.653 ( -20.251 -8.081 0.919) 21.823 14.893 ( 8.790 -0.897 -3.579) 9.533 15.612 ( -1.640 -4.767 0.895) 5.120 16.049 ( 11.892 -38.867 1.245) 40.664 16.778 ( 9.362 32.551 -6.564) 34.501 18.714 ( -35.562 28.318 -1.362) 45.479 20.879 ( 15.032 47.720 -30.180) 58.429 21.268 ( -12.157 20.782 -12.064) 26.931 23.879 ( -10.985 6.587 5.382) 13.893 24.204 ( 38.094 5.718 -6.708) 39.100 27.675 ( -7.826 0.111 3.985) 8.783 30.222 ( 6.916 -28.114 12.708) 31.619 ======================= Grid point 416 (177/429) ======================= q-point: ( 0.07 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 6.210 0.000 28.046) 28.725 1.919 ( 36.411 0.000 29.639) 46.949 3.516 ( -0.385 -0.000 -2.592) 2.621 3.779 ( 6.871 0.000 68.187) 68.533 4.802 ( 7.545 0.000 -12.475) 14.579 5.353 ( 2.823 0.000 9.819) 10.217 5.935 ( 3.285 0.000 -17.965) 18.262 6.162 ( -7.530 -0.000 -1.125) 7.614 7.057 ( 10.709 0.000 -2.667) 11.036 7.708 ( 2.460 0.000 -3.016) 3.892 7.903 ( -2.010 -0.000 -1.085) 2.284 8.044 ( 3.187 0.000 2.751) 4.210 8.955 ( -3.341 -0.000 -3.750) 5.022 9.086 ( -4.795 -0.000 -0.843) 4.868 9.631 ( 13.367 0.000 -7.572) 15.363 9.832 ( -13.713 -0.000 -27.362) 30.606 10.196 ( 1.072 0.000 2.386) 2.616 10.577 ( -10.359 -0.000 7.903) 13.030 11.904 ( 4.546 0.000 -16.575) 17.188 12.746 ( -6.455 -0.000 12.738) 14.280 13.190 ( -13.424 -0.000 13.380) 18.953 13.521 ( 3.635 0.000 -3.978) 5.389 14.168 ( -0.057 -0.000 7.827) 7.827 14.301 ( -18.241 -0.000 -0.100) 18.241 14.807 ( 0.294 0.000 -1.938) 1.960 14.916 ( 5.176 0.000 7.823) 9.380 15.713 ( 6.570 0.000 3.360) 7.379 16.399 ( 5.478 0.000 -7.751) 9.492 16.787 ( -0.445 -0.000 1.179) 1.260 17.872 ( -0.100 -0.000 -6.843) 6.843 20.131 ( -0.619 -0.000 1.953) 2.049 21.179 ( 0.481 0.000 -1.632) 1.701 23.637 ( -10.815 -0.000 1.026) 10.864 24.911 ( 47.973 0.000 -20.471) 52.158 27.575 ( -6.485 -0.000 5.105) 8.253 30.435 ( -17.188 -0.000 1.816) 17.284 ======================= Grid point 417 (178/429) ======================= q-point: ( 0.14 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 12.356 -22.950 22.306) 34.306 2.322 ( 27.740 -24.855 27.703) 46.419 3.800 ( 11.099 -24.200 7.621) 27.694 4.102 ( 2.053 -17.356 43.154) 46.559 4.828 ( 13.443 -1.640 -9.319) 16.439 5.385 ( 1.948 -0.575 9.449) 9.665 5.856 ( 1.639 4.213 -13.004) 13.767 6.298 ( -5.229 -13.757 -3.767) 15.192 7.145 ( 8.663 -1.551 -7.969) 11.873 7.658 ( 1.520 4.196 1.946) 4.868 7.867 ( -2.242 0.628 0.493) 2.380 8.212 ( -1.772 -14.344 1.161) 14.500 8.719 ( -3.481 7.928 -6.195) 10.646 9.375 ( -4.546 -19.463 -2.798) 20.182 9.647 ( 9.229 2.880 -5.812) 11.281 9.770 ( -9.206 -6.253 -23.377) 25.891 10.243 ( -0.493 -3.062 4.322) 5.319 10.621 ( -9.489 -9.923 2.778) 14.008 11.908 ( -3.961 -1.721 -7.772) 8.891 12.606 ( -8.537 9.831 9.857) 16.330 13.095 ( -5.102 6.104 10.061) 12.826 13.517 ( 3.895 3.179 1.681) 5.301 14.086 ( -9.210 7.796 12.418) 17.315 14.158 ( -8.816 5.929 -2.587) 10.934 14.436 ( -2.649 10.061 4.221) 11.228 15.191 ( 13.077 -0.475 -3.390) 13.517 15.535 ( -2.205 17.856 3.943) 18.418 16.517 ( 17.442 17.556 -2.186) 24.844 16.978 ( 19.228 -34.847 -16.184) 42.964 17.935 ( -27.136 -17.646 9.691) 33.788 20.755 ( -3.453 -49.234 -13.193) 51.088 21.208 ( 5.549 -5.280 -4.960) 9.125 23.600 ( -10.495 -2.436 -0.137) 10.775 25.164 ( 42.024 -2.671 -23.861) 48.400 27.546 ( -5.974 0.167 6.101) 8.541 30.128 ( -18.108 19.172 12.002) 28.974 ======================= Grid point 418 (179/429) ======================= q-point: ( 0.21 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 19.978 -20.822 19.378) 34.759 3.132 ( 9.614 -35.006 28.702) 46.278 4.387 ( 7.202 -22.748 -0.103) 23.862 4.571 ( 10.802 -25.501 19.927) 34.119 5.099 ( 12.672 -20.408 -7.108) 25.051 5.439 ( 3.186 -1.218 9.424) 10.023 5.791 ( -0.491 -0.626 -6.337) 6.386 6.496 ( -1.600 -8.546 -2.807) 9.136 7.054 ( 2.897 11.590 -8.013) 14.385 7.735 ( 2.743 -10.284 4.864) 11.703 7.883 ( -0.578 -3.821 3.241) 5.044 8.445 ( -13.941 -8.875 -11.406) 20.080 8.689 ( -0.163 -12.372 -2.078) 12.547 9.637 ( 1.597 -5.735 -1.998) 6.279 9.740 ( 0.388 -15.972 -4.613) 16.629 9.852 ( -4.891 -9.878 -15.549) 19.059 10.317 ( -0.871 -5.196 3.533) 6.344 10.831 ( -7.092 -16.229 0.114) 17.712 11.855 ( -16.187 1.223 11.200) 19.722 12.427 ( 3.550 7.536 -1.971) 8.560 12.956 ( -0.290 8.598 10.769) 13.783 13.432 ( -1.078 7.569 3.176) 8.279 13.905 ( -12.851 5.850 8.418) 16.439 14.003 ( 1.431 6.488 -4.475) 8.010 14.411 ( -0.890 -4.579 1.295) 4.841 14.991 ( 1.926 21.627 -7.352) 22.923 15.273 ( 9.195 11.690 2.723) 15.120 16.159 ( 24.313 27.201 -1.837) 36.529 17.786 ( -1.509 -41.445 -20.338) 46.191 18.334 ( -22.603 -34.579 21.332) 46.493 21.135 ( -4.244 -5.460 2.095) 7.226 21.793 ( 9.892 -40.863 -30.081) 51.696 23.608 ( -11.323 -5.441 0.087) 12.563 25.389 ( 33.594 -2.063 -24.392) 41.567 27.529 ( -5.158 -0.730 7.495) 9.127 29.659 ( -14.116 22.121 20.770) 33.466 ======================= Grid point 419 (180/429) ======================= q-point: ( 0.29 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 16.468 -24.086 17.081) 33.810 3.784 ( 8.846 -23.463 29.000) 38.338 4.709 ( 2.992 -13.352 -5.793) 14.858 5.112 ( -2.306 -17.898 -1.367) 18.098 5.402 ( 11.811 5.522 -2.787) 13.333 5.647 ( 7.502 -23.466 -5.548) 25.253 5.936 ( -0.726 -14.504 1.975) 14.656 6.575 ( 2.066 -2.482 5.560) 6.430 6.892 ( 1.755 4.005 1.099) 4.509 7.938 ( 1.855 -7.300 3.682) 8.384 8.086 ( 0.726 -15.562 -1.552) 15.656 8.423 ( -13.317 -7.527 -17.166) 22.993 9.075 ( -6.721 -24.839 5.635) 26.342 9.778 ( 2.624 -9.157 2.883) 9.952 9.984 ( -5.817 -9.728 -2.011) 11.512 10.094 ( 0.978 -20.028 -13.315) 24.070 10.468 ( 2.074 -10.720 -0.577) 10.934 11.117 ( -5.931 -17.173 1.026) 18.197 11.772 ( -14.815 -0.325 17.698) 23.082 12.296 ( 6.725 10.234 -3.258) 12.672 12.835 ( -0.597 5.053 7.234) 8.845 13.236 ( -2.335 11.947 3.978) 12.806 13.730 ( -1.248 10.720 0.813) 10.823 13.883 ( 2.554 7.549 -5.532) 9.701 14.454 ( -1.437 7.688 2.612) 8.246 14.713 ( -2.526 -4.008 -8.923) 10.103 15.105 ( 6.539 11.090 1.420) 12.952 15.888 ( 15.316 12.565 1.270) 19.852 18.374 ( -18.888 -32.018 -15.017) 40.093 18.913 ( -5.887 -27.800 17.721) 33.489 21.219 ( 2.950 -3.932 3.480) 6.022 22.419 ( 10.174 -24.666 -29.435) 39.728 23.682 ( -12.204 -9.785 0.924) 15.670 25.532 ( 25.650 0.932 -21.540) 33.508 27.549 ( -3.947 -2.660 8.708) 9.924 29.237 ( -10.039 19.153 22.232) 31.014 ======================= Grid point 420 (181/429) ======================= q-point: ( 0.36 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.672 ( 13.812 -20.797 16.318) 29.825 4.257 ( 9.582 -15.670 25.045) 31.058 4.955 ( 3.036 -12.078 -4.276) 13.168 5.186 ( -7.779 1.621 -11.437) 13.927 5.321 ( -0.639 4.998 -6.119) 7.927 5.962 ( -11.054 -10.990 -4.412) 16.200 6.149 ( 9.980 -5.923 -10.315) 15.527 6.818 ( 7.244 -9.220 7.225) 13.773 6.896 ( 6.446 -4.523 15.215) 17.132 8.097 ( 2.364 -6.553 5.681) 8.989 8.250 ( -15.085 -13.371 -23.353) 30.850 8.723 ( -0.105 -25.559 5.565) 26.158 9.497 ( -7.949 -23.178 5.003) 25.008 9.995 ( 4.695 -8.274 2.343) 9.797 10.136 ( -6.524 -11.879 6.678) 15.109 10.429 ( 0.626 -16.472 -12.350) 20.597 10.757 ( 5.186 -17.606 -3.360) 18.659 11.380 ( -6.324 -13.136 2.157) 14.738 11.745 ( -5.386 0.695 6.540) 8.501 12.165 ( 3.748 4.346 8.535) 10.285 12.772 ( -8.902 0.764 -2.794) 9.362 13.016 ( 5.239 11.850 9.138) 15.855 13.433 ( 8.940 22.155 -2.778) 24.052 13.733 ( 2.841 9.294 -3.793) 10.432 14.266 ( -8.664 4.971 -0.867) 10.026 14.844 ( 3.177 0.044 -9.016) 9.560 15.057 ( -1.398 -10.401 4.026) 11.240 15.858 ( 7.336 -0.879 2.221) 7.716 18.759 ( -18.926 -23.533 -9.084) 31.536 19.310 ( -4.314 -14.558 10.965) 18.730 21.322 ( 7.348 -2.466 4.350) 8.889 22.747 ( 10.312 -10.094 -24.650) 28.563 23.834 ( -10.860 -12.650 1.244) 16.719 25.572 ( 18.872 4.769 -16.693) 25.643 27.615 ( -2.745 -4.429 9.394) 10.742 28.901 ( -6.901 15.618 19.486) 25.908 ======================= Grid point 421 (182/429) ======================= q-point: ( 0.43 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.093 ( 14.080 -10.584 16.573) 24.185 4.578 ( 7.062 -8.955 20.204) 23.200 5.029 ( -2.128 4.633 -10.897) 12.031 5.152 ( -10.795 6.129 -11.677) 17.042 5.230 ( -0.056 -12.732 0.342) 12.737 6.011 ( -18.891 -6.087 -2.391) 19.991 6.299 ( 11.031 -4.779 -9.666) 15.426 6.848 ( -0.170 0.283 4.265) 4.278 7.131 ( 13.953 -2.350 9.207) 16.881 8.138 ( -8.580 -1.330 -5.277) 10.160 8.552 ( -4.895 -24.457 -4.615) 25.365 9.214 ( -0.818 -23.415 7.669) 24.653 9.879 ( -5.695 -20.127 3.875) 21.273 10.113 ( 3.156 -3.301 0.023) 4.567 10.387 ( -0.809 -12.720 13.110) 18.284 10.680 ( 2.236 -11.932 -9.518) 15.426 11.115 ( 5.395 -15.568 -4.950) 17.204 11.494 ( -7.487 -2.327 -0.958) 7.898 11.719 ( -0.184 -0.559 -1.587) 1.692 12.239 ( -0.116 -7.478 13.524) 15.454 12.631 ( -6.876 7.534 -4.016) 10.962 12.940 ( 3.267 2.975 5.998) 7.450 13.076 ( 10.703 18.130 2.407) 21.191 13.513 ( 2.572 15.875 -1.548) 16.156 14.199 ( -8.705 -4.019 -2.993) 10.044 14.779 ( 2.543 4.140 -4.483) 6.611 15.365 ( -1.989 -18.632 0.174) 18.738 15.958 ( 2.288 -4.785 1.680) 5.564 19.024 ( -14.090 -16.669 -5.276) 22.455 19.484 ( -3.750 -5.879 5.571) 8.925 21.395 ( 7.213 0.513 4.729) 8.640 22.872 ( 8.827 -2.792 -20.506) 22.499 24.010 ( -7.524 -10.973 1.709) 13.414 25.516 ( 12.721 7.852 -11.786) 19.037 27.712 ( -2.167 -5.266 9.855) 11.382 28.633 ( -4.824 12.762 15.316) 20.511 ======================= Grid point 422 (183/429) ======================= q-point: ( 0.50 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.245 ( 14.889 6.807 16.417) 23.185 4.782 ( 1.936 -6.620 13.006) 14.721 4.873 ( -13.448 6.219 -13.585) 20.101 5.021 ( -0.832 -0.710 -2.904) 3.103 5.471 ( -0.333 -11.174 4.132) 11.918 5.986 ( -17.252 -3.014 0.757) 17.530 6.395 ( 5.808 -2.065 -12.517) 13.953 6.873 ( 1.659 -1.668 4.292) 4.894 7.218 ( 13.276 1.111 3.195) 13.700 8.075 ( -12.780 -0.431 -6.956) 14.557 8.961 ( 2.624 -17.614 4.235) 18.305 9.597 ( -2.091 -16.351 7.151) 17.968 10.128 ( -9.245 -8.299 -3.259) 12.844 10.210 ( 3.412 -4.853 8.587) 10.437 10.625 ( 5.190 -8.756 8.014) 12.954 10.866 ( 5.191 -6.679 -6.514) 10.677 11.264 ( -2.684 2.227 -3.489) 4.933 11.500 ( -1.963 -5.614 -3.295) 6.800 11.726 ( -0.541 -0.233 -3.772) 3.818 12.400 ( -2.556 1.425 1.664) 3.366 12.515 ( 2.863 -6.295 6.924) 9.786 12.776 ( 3.068 10.126 2.784) 10.941 13.036 ( 1.699 -0.383 5.392) 5.666 13.175 ( -0.442 18.265 0.926) 18.294 14.283 ( -6.434 -8.891 -2.373) 11.229 14.716 ( 2.244 3.519 -3.818) 5.656 15.678 ( -1.407 -14.650 0.321) 14.721 16.024 ( 0.745 -0.040 0.583) 0.947 19.218 ( -8.066 -11.991 -2.641) 14.690 19.542 ( -0.984 -1.466 1.399) 2.253 21.403 ( 3.361 2.697 4.975) 6.581 22.908 ( 7.468 -0.504 -18.747) 20.186 24.159 ( -3.890 -7.999 2.536) 9.249 25.390 ( 6.759 9.260 -8.022) 13.992 27.822 ( -2.464 -5.814 10.568) 12.311 28.416 ( -3.759 10.302 11.526) 15.910 ======================= Grid point 423 (184/429) ======================= q-point: (-0.43 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.134 ( 11.504 14.729 15.844) 24.501 4.648 ( -11.175 6.756 -8.173) 15.405 4.842 ( -3.003 2.383 3.441) 5.151 5.112 ( 1.204 -6.529 8.196) 10.548 5.640 ( 0.290 -5.556 3.954) 6.825 5.945 ( -13.238 -2.445 0.262) 13.464 6.403 ( 3.785 1.328 -12.134) 12.780 6.928 ( 1.724 -1.865 2.680) 3.693 7.285 ( 13.664 0.450 -0.242) 13.674 7.992 ( -12.910 -0.168 -5.753) 14.135 9.210 ( 5.815 -3.504 6.359) 9.302 9.822 ( -1.591 -6.757 6.624) 9.595 10.136 ( -6.974 1.228 -3.387) 7.849 10.258 ( -3.023 2.085 10.987) 11.584 10.759 ( 6.639 0.075 0.803) 6.688 10.970 ( 5.079 -1.626 -3.760) 6.525 11.176 ( -6.952 -1.150 -4.010) 8.108 11.573 ( 4.055 -0.272 -3.054) 5.084 11.719 ( 0.288 -0.479 -2.499) 2.561 12.252 ( 3.165 10.253 -1.871) 10.893 12.655 ( -1.363 3.603 3.929) 5.503 12.710 ( -1.385 9.914 5.072) 11.222 12.901 ( -0.136 -10.990 2.840) 11.351 13.124 ( -2.914 -3.968 7.299) 8.804 14.406 ( -4.060 -6.876 -1.889) 8.205 14.644 ( 1.799 4.819 -3.585) 6.270 15.873 ( -0.697 -5.336 1.790) 5.671 15.952 ( 1.612 7.952 -0.888) 8.162 19.387 ( -2.758 -9.686 -0.770) 10.100 19.539 ( 3.630 2.612 -1.574) 4.742 21.361 ( -2.155 2.903 5.352) 6.459 22.920 ( 6.482 -0.362 -19.090) 20.164 24.284 ( 0.188 -6.096 2.718) 6.677 25.225 ( 0.973 9.039 -5.683) 10.721 27.941 ( -3.871 -6.286 11.255) 13.461 28.248 ( -2.945 7.164 9.788) 12.482 ======================= Grid point 424 (185/429) ======================= q-point: (-0.36 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.909 ( 5.432 17.616 17.594) 25.482 4.464 ( -3.963 8.931 3.093) 10.249 4.697 ( -6.988 8.136 0.891) 10.762 5.260 ( 1.979 -5.787 8.847) 10.755 5.686 ( 0.815 1.754 -0.854) 2.114 5.928 ( -9.403 -2.902 -2.419) 10.134 6.359 ( 5.645 3.992 -8.713) 11.122 6.961 ( 0.427 -0.397 1.530) 1.638 7.345 ( 9.746 0.463 -5.307) 11.107 7.909 ( -9.766 1.132 -2.727) 10.202 9.114 ( 5.558 19.148 6.389) 20.937 9.839 ( 0.451 6.222 6.960) 9.347 9.978 ( -6.096 10.038 -4.720) 12.657 10.219 ( -5.172 0.639 10.821) 12.011 10.763 ( 5.497 2.883 -1.722) 6.442 10.948 ( -4.194 0.364 0.716) 4.270 11.171 ( -1.210 2.593 -10.384) 10.771 11.544 ( 5.690 4.808 -2.759) 7.944 11.797 ( 5.225 -6.134 4.768) 9.363 12.064 ( 5.068 12.131 -2.927) 13.469 12.362 ( -5.159 13.373 2.141) 14.493 12.705 ( -2.301 -1.676 3.955) 4.873 13.140 ( -9.262 -10.724 8.008) 16.277 13.319 ( 1.408 -17.133 3.381) 17.521 14.460 ( 0.978 0.665 -4.305) 4.465 14.572 ( -1.297 0.095 -1.792) 2.214 15.706 ( 2.291 16.927 -1.407) 17.139 15.904 ( 1.100 4.453 2.778) 5.362 19.442 ( 4.713 7.636 -2.061) 9.207 19.575 ( 4.071 -7.172 -0.492) 8.261 21.296 ( -6.972 2.153 5.629) 9.216 22.928 ( 5.793 -0.586 -21.201) 21.986 24.404 ( 5.719 -4.328 1.325) 7.293 25.042 ( -4.701 8.209 -4.645) 10.539 28.003 ( -7.733 0.088 6.067) 9.829 28.206 ( -0.228 -3.398 16.513) 16.860 ======================= Grid point 425 (186/429) ======================= q-point: (-0.29 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.602 ( 0.344 20.680 21.453) 29.800 4.158 ( -5.450 22.959 15.823) 28.411 4.599 ( 0.268 -0.789 -0.866) 1.202 5.361 ( 1.365 -1.662 4.544) 5.027 5.574 ( 1.501 9.730 -6.973) 12.064 5.935 ( -7.700 -3.388 -1.486) 8.543 6.273 ( 7.024 8.530 -4.109) 11.789 6.949 ( -1.485 1.718 0.532) 2.333 7.333 ( -2.734 2.128 -13.703) 14.134 7.822 ( 0.796 5.253 1.917) 5.648 8.652 ( 6.450 31.432 10.279) 33.693 9.617 ( 2.401 18.830 4.094) 19.419 9.698 ( -7.023 13.400 -8.458) 17.333 10.185 ( -4.981 2.825 9.266) 10.892 10.691 ( 4.211 6.007 -3.234) 8.017 10.945 ( -7.157 3.665 -3.244) 8.671 10.991 ( -0.556 10.624 -5.518) 11.985 11.529 ( 4.011 -3.256 -1.144) 5.291 11.837 ( 2.928 10.626 3.900) 11.692 11.887 ( 1.616 5.675 5.360) 7.972 12.237 ( 4.927 0.237 3.584) 6.098 12.740 ( -1.704 -5.408 0.602) 5.702 13.352 ( -10.449 -17.128 4.566) 20.577 13.649 ( -2.868 -16.038 2.677) 16.511 14.422 ( 4.079 1.307 -6.242) 7.570 14.631 ( -2.632 -6.531 -0.667) 7.073 15.347 ( 3.639 21.639 -2.629) 22.100 15.751 ( 2.212 12.863 4.714) 13.878 19.247 ( 9.643 16.893 -3.134) 19.702 19.719 ( 1.669 -4.851 1.628) 5.382 21.222 ( -8.461 1.825 5.225) 10.110 22.922 ( 5.407 0.340 -25.319) 25.892 24.511 ( 13.877 -0.609 -2.064) 14.043 24.837 ( -10.918 8.008 -4.653) 14.317 27.917 ( -8.387 3.338 3.211) 9.581 28.392 ( -0.552 -11.173 23.229) 25.782 ======================= Grid point 426 (187/429) ======================= q-point: (-0.21 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( -2.700 26.594 23.657) 35.696 3.673 ( -4.637 26.928 24.419) 36.645 4.662 ( 5.397 -1.482 4.625) 7.261 5.317 ( -5.235 6.133 -4.367) 9.170 5.332 ( 6.081 15.956 -7.476) 18.640 5.916 ( -4.490 5.576 7.215) 10.164 6.094 ( 2.721 11.172 -4.096) 12.207 6.872 ( -5.310 5.119 -0.133) 7.377 7.148 ( -10.648 8.048 -21.041) 24.918 7.735 ( 16.327 9.713 6.534) 20.090 8.194 ( 2.409 19.304 11.669) 22.685 9.236 ( 4.398 21.853 -0.698) 22.302 9.373 ( -4.681 15.687 -9.553) 18.955 10.065 ( -4.493 8.725 4.617) 10.846 10.584 ( -0.526 6.588 -2.701) 7.140 10.638 ( 1.217 18.356 -16.055) 24.417 10.744 ( -9.839 14.993 1.978) 18.042 11.583 ( -5.525 8.260 8.175) 12.868 11.688 ( 8.376 4.982 6.902) 11.941 11.975 ( -5.094 -21.795 3.262) 22.619 12.261 ( 11.417 4.109 6.911) 13.964 12.959 ( 5.626 -15.341 -1.985) 16.461 13.627 ( -8.837 -15.040 0.345) 17.447 13.906 ( -9.413 -16.261 0.627) 18.799 14.453 ( 3.186 -1.283 -2.768) 4.411 14.764 ( -2.095 -8.282 -2.777) 8.983 14.980 ( 4.519 15.671 -3.985) 16.789 15.503 ( 4.213 14.934 6.798) 16.940 18.896 ( 12.386 26.863 -3.528) 29.791 19.741 ( -6.278 2.814 4.365) 8.148 21.157 ( -4.745 1.424 3.416) 6.017 22.862 ( 4.912 4.314 -32.659) 33.307 24.571 ( 27.038 6.831 -6.083) 28.543 24.585 ( -20.139 7.684 -5.422) 22.226 27.809 ( -8.709 3.198 2.797) 9.690 28.699 ( -0.589 -16.739 28.545) 33.096 ======================= Grid point 427 (188/429) ======================= q-point: (-0.14 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -2.944 34.274 22.358) 41.027 3.238 ( -1.278 23.737 36.304) 43.395 4.543 ( 2.639 26.203 10.662) 28.412 5.029 ( 0.878 13.109 -9.132) 16.001 5.138 ( 1.370 7.588 0.656) 7.739 5.607 ( -4.515 25.837 8.778) 27.659 5.898 ( 0.534 8.526 -7.409) 11.308 6.717 ( -5.559 4.385 -3.619) 7.951 7.007 ( -1.788 -1.760 -14.734) 14.946 7.668 ( 14.669 8.754 5.160) 17.844 7.984 ( -2.907 6.465 7.511) 10.327 8.855 ( 10.086 24.914 9.471) 28.498 9.058 ( -5.100 9.769 -21.261) 23.947 9.814 ( -3.626 14.989 -1.197) 15.467 10.231 ( -1.492 20.180 -9.069) 22.175 10.406 ( -8.154 8.979 -1.799) 12.262 10.480 ( -3.888 7.113 -8.735) 11.917 11.295 ( -8.465 15.610 5.992) 18.741 11.771 ( 9.344 -4.024 10.213) 14.415 12.236 ( 9.105 1.598 7.798) 12.094 12.505 ( -8.437 -29.142 9.237) 31.713 13.294 ( 8.203 -13.986 -3.199) 16.527 13.793 ( 0.496 -7.609 -4.984) 9.110 14.165 ( -18.460 -17.958 -0.503) 25.759 14.357 ( 3.939 12.555 5.974) 14.451 14.829 ( 3.469 -3.295 -11.849) 12.778 14.998 ( -4.538 -12.417 -0.911) 13.252 15.360 ( 10.887 2.685 8.228) 13.908 18.357 ( 13.977 37.643 -4.182) 40.371 19.523 ( -19.118 13.954 6.845) 24.639 21.135 ( 1.509 0.338 0.602) 1.659 22.639 ( 2.637 16.227 -44.604) 47.537 24.262 ( -22.128 11.392 -2.100) 24.976 24.583 ( 35.715 9.926 -10.870) 38.630 27.712 ( -8.558 2.205 3.232) 9.410 29.132 ( -0.527 -23.661 31.077) 39.062 ======================= Grid point 428 (189/429) ======================= q-point: (-0.07 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 4.169 30.564 25.981) 40.330 2.798 ( -1.670 33.672 32.816) 47.047 3.894 ( 5.294 37.055 29.827) 47.862 4.754 ( -13.117 27.650 -0.079) 30.604 4.860 ( 6.715 16.651 -4.345) 18.472 5.259 ( 3.750 2.780 10.497) 11.488 5.824 ( 3.821 -0.641 -12.200) 12.800 6.603 ( -4.022 5.928 -5.523) 9.046 7.075 ( 3.546 -4.245 -12.574) 13.737 7.592 ( 5.523 5.079 4.517) 8.758 7.905 ( -2.467 1.905 4.067) 5.124 8.474 ( 9.023 22.064 12.018) 26.696 8.855 ( -4.376 5.543 -19.278) 20.531 9.556 ( 2.891 8.374 -5.076) 10.210 9.843 ( -2.985 18.495 -7.832) 20.306 10.205 ( -8.684 6.083 -15.829) 19.052 10.332 ( -4.538 5.196 1.073) 6.982 10.964 ( -8.368 14.594 6.533) 18.047 11.913 ( 8.495 -2.352 -4.690) 9.985 12.337 ( 7.793 -6.506 18.479) 21.084 12.959 ( -17.151 -22.572 14.803) 31.981 13.475 ( 0.510 -3.412 -5.630) 6.602 13.934 ( 3.241 -4.703 -2.011) 6.055 14.245 ( 12.911 0.459 2.977) 13.258 14.343 ( -21.466 -11.330 3.859) 24.577 14.889 ( 6.550 -3.712 -6.454) 9.916 15.272 ( -8.265 -20.130 -1.708) 21.828 15.620 ( 20.398 -18.276 3.118) 27.565 17.638 ( 14.096 45.297 -6.309) 47.858 19.017 ( -32.370 24.690 6.695) 41.258 21.154 ( 4.659 -0.030 -1.649) 4.942 22.004 ( -2.943 43.519 -51.064) 67.157 23.935 ( -19.021 9.054 3.206) 21.309 24.603 ( 44.136 9.540 -13.649) 47.173 27.643 ( -7.878 0.735 3.979) 8.857 29.693 ( -2.017 -29.986 25.751) 39.577 ======================= Grid point 431 (190/429) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 12.484 0.000 25.371) 28.276 2.498 ( 41.102 0.000 27.706) 49.568 3.505 ( 0.195 0.000 -2.909) 2.915 4.143 ( 16.496 0.000 52.452) 54.984 4.907 ( 16.355 0.000 -10.800) 19.599 5.398 ( -0.664 -0.000 9.124) 9.148 5.906 ( 2.510 0.000 -14.470) 14.686 6.075 ( -7.091 -0.000 0.262) 7.095 7.162 ( 9.869 0.000 -5.892) 11.494 7.723 ( 1.838 0.000 -2.788) 3.339 7.874 ( -2.391 -0.000 -0.442) 2.432 8.057 ( -0.933 -0.000 -1.250) 1.560 8.901 ( -3.846 -0.000 -1.754) 4.227 9.029 ( -4.729 -0.000 0.660) 4.775 9.583 ( -11.452 -0.000 -23.916) 26.516 9.762 ( 13.183 0.000 -6.515) 14.706 10.216 ( 1.033 0.000 1.843) 2.113 10.454 ( -14.438 -0.000 2.699) 14.688 11.833 ( -11.304 -0.000 -4.205) 12.061 12.664 ( -6.578 -0.000 0.596) 6.605 13.128 ( -6.569 -0.000 5.434) 8.525 13.592 ( 6.221 0.000 6.603) 9.071 14.060 ( -17.752 -0.000 5.928) 18.716 14.230 ( 1.837 0.000 3.950) 4.357 14.802 ( 0.069 0.000 -1.908) 1.909 14.965 ( -3.205 -0.000 11.239) 11.687 15.735 ( -5.217 -0.000 4.724) 7.037 16.527 ( 21.640 0.000 -5.714) 22.382 16.786 ( -0.461 -0.000 1.170) 1.257 17.934 ( 14.507 0.000 -13.314) 19.691 20.131 ( -0.579 -0.000 1.975) 2.058 21.178 ( 0.498 0.000 -1.623) 1.698 23.521 ( -8.518 -0.000 -2.540) 8.889 25.332 ( 38.980 0.000 -26.469) 47.117 27.528 ( -5.377 -0.000 7.022) 8.844 30.206 ( -24.005 -0.000 8.521) 25.472 ======================= Grid point 432 (191/429) ======================= q-point: ( 0.21 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 14.302 -29.788 19.305) 38.269 2.770 ( 28.075 -8.104 27.205) 39.925 3.872 ( 2.780 -30.448 -1.009) 30.591 4.414 ( 21.515 -8.527 34.611) 41.636 4.969 ( 13.583 -1.526 -8.593) 16.145 5.434 ( 2.210 -2.008 10.430) 10.849 5.826 ( 0.906 4.228 -9.631) 10.557 6.237 ( -3.449 -15.267 -1.620) 15.736 7.208 ( 7.780 1.797 -9.619) 12.502 7.683 ( 1.206 2.660 2.248) 3.686 7.846 ( -1.484 -0.330 0.523) 1.607 8.154 ( -7.093 -10.115 -3.112) 12.740 8.662 ( -2.399 8.417 -5.098) 10.129 9.319 ( -4.738 -19.399 1.398) 20.018 9.545 ( -8.275 -6.590 -19.028) 21.771 9.791 ( 12.216 2.063 -5.768) 13.666 10.243 ( -3.274 -2.178 4.371) 5.879 10.501 ( -10.392 -12.568 -1.839) 16.412 11.755 ( -21.206 -1.345 7.117) 22.409 12.577 ( 3.138 5.916 -5.726) 8.811 13.057 ( -7.989 3.628 4.474) 9.849 13.594 ( 4.826 5.536 10.086) 12.477 13.941 ( -13.400 4.011 7.839) 16.034 14.167 ( 2.738 9.871 1.567) 10.363 14.405 ( -4.446 9.273 4.571) 11.254 15.286 ( 5.978 -0.185 -4.870) 7.713 15.546 ( -0.399 12.598 7.847) 14.848 16.626 ( 4.026 -5.051 -3.903) 7.547 17.223 ( 33.418 -16.126 -19.082) 41.724 17.724 ( -16.849 -2.510 12.658) 21.223 20.680 ( -3.561 -40.805 -5.469) 41.323 21.257 ( 6.518 -11.295 -6.998) 14.799 23.485 ( -7.970 -1.815 -3.323) 8.824 25.506 ( 33.019 -1.067 -27.610) 43.054 27.511 ( -4.635 0.046 8.469) 9.654 29.940 ( -21.903 13.893 14.394) 29.664 ======================= Grid point 433 (192/429) ======================= q-point: ( 0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 23.183 -19.658 14.841) 33.825 3.357 ( 10.020 -31.284 27.188) 42.641 4.392 ( 0.628 -22.012 -3.066) 22.234 4.816 ( 8.250 -13.498 11.787) 19.727 5.216 ( 15.892 -21.503 -11.671) 29.175 5.530 ( 7.670 -0.737 9.362) 12.125 5.770 ( 0.473 -1.634 -1.823) 2.493 6.485 ( 0.438 -10.368 0.917) 10.418 7.073 ( 4.027 11.920 -3.403) 13.034 7.769 ( 0.621 -9.776 1.966) 9.991 7.905 ( 2.474 -5.817 3.036) 7.013 8.215 ( -16.859 -3.770 -12.362) 21.243 8.670 ( -1.082 -12.480 -3.216) 12.933 9.590 ( -8.298 -11.341 3.536) 14.491 9.711 ( 0.581 -17.843 -12.514) 21.801 9.853 ( 9.301 -3.222 -5.486) 11.269 10.301 ( -4.681 -6.684 2.037) 8.410 10.749 ( -5.526 -17.676 -1.391) 18.572 11.674 ( -22.658 -2.091 17.108) 28.468 12.488 ( 8.725 6.538 -7.347) 13.147 12.923 ( -9.939 5.562 2.816) 11.732 13.474 ( 4.036 10.964 11.455) 16.363 13.811 ( -7.968 3.693 7.508) 11.555 14.023 ( 3.472 6.568 -2.268) 7.768 14.390 ( -2.364 -5.769 0.266) 6.241 14.980 ( 0.773 23.584 -5.507) 24.231 15.392 ( 8.791 12.549 1.605) 15.406 16.426 ( 22.482 29.685 -3.519) 37.404 17.561 ( -20.502 -33.418 -17.694) 43.013 18.302 ( 0.212 -38.268 19.641) 43.014 21.095 ( -4.218 -11.229 3.891) 12.610 21.822 ( 11.995 -37.158 -24.210) 45.943 23.488 ( -8.509 -4.403 -2.479) 9.896 25.643 ( 26.389 -0.256 -26.445) 37.360 27.511 ( -3.571 -0.979 10.101) 10.758 29.552 ( -16.603 17.377 19.043) 30.664 ======================= Grid point 434 (193/429) ======================= q-point: ( 0.36 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.401 ( 21.019 -20.615 14.314) 32.736 3.991 ( 9.148 -23.963 23.777) 34.975 4.739 ( 5.477 -14.027 -5.627) 16.075 4.989 ( -14.579 -9.200 -7.322) 18.729 5.490 ( 3.570 7.751 -0.148) 8.535 5.674 ( -0.705 -12.815 -7.788) 15.013 6.000 ( 13.730 -16.149 -6.110) 22.060 6.669 ( 7.651 -10.073 12.667) 17.901 6.942 ( 3.558 3.599 9.987) 11.196 7.927 ( -6.221 -6.997 -11.231) 14.621 8.041 ( -3.481 -3.618 -5.078) 7.141 8.279 ( -3.605 -19.775 0.770) 20.116 9.009 ( -5.520 -23.131 1.066) 23.805 9.790 ( -4.479 -14.038 8.129) 16.829 9.974 ( 5.396 -5.000 -2.953) 7.927 10.059 ( 0.859 -19.570 -11.446) 22.688 10.472 ( -1.008 -13.670 -2.180) 13.879 11.060 ( -3.940 -17.292 1.147) 17.772 11.661 ( -14.855 -4.861 16.556) 22.768 12.363 ( 4.161 10.325 0.945) 11.172 12.763 ( -9.435 4.391 -4.634) 11.392 13.308 ( 7.106 12.356 13.237) 19.452 13.724 ( -0.760 5.383 0.692) 5.481 13.904 ( 3.987 7.932 -3.034) 9.382 14.442 ( -1.692 12.915 1.542) 13.116 14.655 ( -1.600 -5.533 -8.520) 10.284 15.167 ( 3.452 13.661 -0.177) 14.092 16.062 ( 14.020 16.991 -1.464) 22.077 18.069 ( -22.770 -34.116 -10.431) 42.322 18.947 ( -0.218 -25.209 14.521) 29.093 21.271 ( 3.042 -7.637 4.917) 9.579 22.445 ( 11.775 -24.688 -25.597) 37.462 23.557 ( -9.362 -9.205 -0.471) 13.138 25.716 ( 20.232 2.307 -22.824) 30.588 27.550 ( -2.320 -2.863 11.204) 11.794 29.187 ( -11.825 16.112 19.265) 27.759 ======================= Grid point 435 (194/429) ======================= q-point: ( 0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.918 ( 17.958 -18.651 14.536) 29.692 4.461 ( 10.534 -15.203 19.756) 27.063 4.934 ( -14.491 -6.718 -7.085) 17.473 5.028 ( 2.613 -5.222 -12.308) 13.623 5.323 ( 2.529 10.666 -4.479) 11.841 5.738 ( -21.329 -7.020 -3.032) 22.658 6.260 ( 11.995 -5.698 -9.987) 16.616 6.864 ( 0.931 -0.311 3.866) 3.989 7.134 ( 17.278 -10.735 21.150) 29.345 7.956 ( -18.113 -9.252 -22.263) 30.155 8.146 ( 1.845 -11.890 5.010) 13.033 8.755 ( 0.901 -26.167 6.372) 26.947 9.435 ( -3.595 -23.979 2.035) 24.333 10.062 ( 3.581 -6.583 3.952) 8.472 10.111 ( -2.852 -14.558 7.776) 16.749 10.385 ( -0.392 -16.849 -11.051) 20.154 10.791 ( 2.922 -19.250 -4.823) 20.059 11.324 ( -4.130 -11.788 2.164) 12.677 11.706 ( -5.281 -2.327 5.689) 8.103 12.217 ( -2.291 4.089 10.894) 11.859 12.642 ( -6.773 2.283 -8.086) 10.792 13.143 ( 7.374 11.955 13.258) 19.315 13.526 ( 8.533 18.283 -2.369) 20.315 13.770 ( 5.679 9.178 -3.100) 11.229 14.152 ( -10.059 7.696 -0.758) 12.688 14.839 ( 2.353 -2.504 -9.724) 10.313 15.040 ( -3.990 -7.845 3.413) 9.440 15.945 ( 6.562 2.655 -0.481) 7.095 18.510 ( -17.613 -26.754 -6.496) 32.683 19.308 ( -2.888 -12.537 9.616) 16.062 21.422 ( 6.343 -3.736 5.079) 8.944 22.783 ( 10.880 -9.616 -22.808) 27.038 23.727 ( -7.918 -13.624 0.839) 15.780 25.702 ( 14.556 5.938 -17.691) 23.666 27.631 ( -1.341 -4.337 11.532) 12.393 28.880 ( -8.302 13.891 16.660) 23.226 ======================= Grid point 436 (195/429) ======================= q-point: ( 0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.341 ( 17.416 -10.851 15.029) 25.435 4.728 ( 1.346 -3.414 16.989) 17.381 4.836 ( -12.226 0.097 -15.754) 19.942 5.063 ( -0.374 6.492 -8.052) 10.350 5.276 ( 6.031 -8.763 0.705) 10.661 5.754 ( -23.174 -8.660 -0.364) 24.742 6.370 ( 6.718 -2.407 -8.919) 11.422 6.869 ( -0.240 -0.178 5.790) 5.798 7.319 ( 12.952 0.720 3.412) 13.414 7.946 ( -15.387 -3.361 -10.311) 18.825 8.580 ( 6.875 -25.603 7.238) 27.480 9.228 ( -2.130 -22.478 7.753) 23.872 9.835 ( -2.165 -17.710 1.589) 17.912 10.157 ( 2.315 -3.877 1.479) 4.752 10.428 ( 0.151 -15.347 10.597) 18.651 10.657 ( -0.584 -14.303 -7.934) 16.367 11.153 ( 4.211 -15.909 -5.821) 17.456 11.412 ( -5.012 -0.188 -1.573) 5.256 11.712 ( 0.009 -0.639 -1.638) 1.759 12.256 ( -6.424 -7.170 12.605) 15.861 12.560 ( -2.102 2.373 -3.281) 4.562 13.006 ( 3.612 8.756 7.293) 11.954 13.202 ( 8.666 18.080 3.693) 20.387 13.554 ( 5.472 17.506 -2.374) 18.495 14.080 ( -9.515 -6.011 -2.639) 11.560 14.775 ( 0.010 3.456 -5.431) 6.438 15.340 ( -2.367 -19.223 0.293) 19.371 15.987 ( 2.070 -3.065 -0.479) 3.730 18.854 ( -11.622 -20.014 -3.838) 23.460 19.466 ( -2.799 -5.654 5.116) 8.122 21.488 ( 5.436 1.485 4.967) 7.512 22.899 ( 8.629 -2.156 -19.675) 21.592 23.945 ( -4.690 -12.365 1.499) 13.310 25.599 ( 9.238 9.220 -12.531) 18.093 27.733 ( -1.150 -4.797 11.551) 12.560 28.623 ( -6.000 11.921 13.091) 18.695 ======================= Grid point 437 (196/429) ======================= q-point: ( 0.57 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.461 ( 3.945 8.993 10.464) 14.350 4.669 ( -4.120 2.748 -7.753) 9.200 4.847 ( 1.817 -0.605 7.413) 7.657 5.016 ( 0.558 -4.121 0.534) 4.193 5.508 ( 3.592 -10.078 4.299) 11.530 5.776 ( -18.394 -6.352 1.484) 19.517 6.407 ( 3.337 -0.589 -9.393) 9.985 6.897 ( -0.800 -1.984 3.358) 3.982 7.366 ( 10.888 0.838 -4.081) 11.658 7.890 ( -12.413 -1.448 -4.515) 13.288 9.072 ( 10.818 -17.402 9.691) 22.666 9.599 ( -3.091 -16.487 8.744) 18.917 10.022 ( -6.503 -5.456 -2.395) 8.820 10.256 ( -0.793 -4.065 6.547) 7.746 10.712 ( 5.975 -10.489 2.918) 12.420 10.878 ( 0.184 -10.298 -5.085) 11.487 11.216 ( -2.320 8.496 -2.917) 9.277 11.480 ( 0.600 -9.925 -4.642) 10.973 11.710 ( 0.094 0.479 -3.617) 3.650 12.361 ( -5.037 -2.439 0.092) 5.597 12.580 ( 2.493 -6.581 10.061) 12.278 12.810 ( 1.348 12.083 3.059) 12.536 13.082 ( 1.301 1.047 8.119) 8.289 13.186 ( 2.725 22.375 -2.396) 22.668 14.203 ( -5.581 -10.494 -1.738) 12.012 14.712 ( -0.031 2.649 -4.829) 5.508 15.666 ( -1.115 -15.333 1.065) 15.410 16.033 ( 0.791 0.079 -0.912) 1.210 19.127 ( -5.816 -15.205 -2.055) 16.408 19.537 ( -0.750 -2.717 1.353) 3.127 21.454 ( 2.100 5.099 5.049) 7.477 22.923 ( 7.027 0.067 -18.549) 19.836 24.134 ( -1.978 -9.482 2.334) 9.963 25.425 ( 4.531 11.018 -8.328) 14.535 27.839 ( -1.846 -5.030 11.768) 12.930 28.408 ( -4.614 9.850 10.064) 14.819 ======================= Grid point 438 (197/429) ======================= q-point: (-0.36 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.251 ( -5.689 12.366 8.639) 16.122 4.569 ( 6.924 6.434 -2.312) 9.731 4.821 ( -3.156 5.749 5.319) 8.444 5.154 ( 0.096 -7.419 8.712) 11.443 5.679 ( 4.115 -4.478 3.653) 7.094 5.793 ( -12.092 -4.851 0.192) 13.030 6.410 ( 3.851 0.447 -8.191) 9.062 6.935 ( -1.993 -2.096 0.959) 3.047 7.390 ( 5.558 0.935 -11.038) 12.394 7.857 ( -5.785 -1.270 2.036) 6.263 9.345 ( 11.155 -1.113 9.027) 14.393 9.829 ( -2.600 -7.532 8.357) 11.547 10.007 ( -9.256 0.983 -5.387) 10.754 10.278 ( -2.464 2.339 10.924) 11.440 10.819 ( 3.421 2.506 -2.124) 4.742 11.015 ( 4.100 3.767 -4.214) 6.982 11.078 ( -5.573 -6.490 -4.011) 9.448 11.605 ( 2.968 -2.217 -2.722) 4.597 11.717 ( 0.948 -2.991 -1.810) 3.623 12.281 ( 3.042 8.441 -2.869) 9.420 12.650 ( -1.606 7.674 2.943) 8.374 12.729 ( 1.116 10.363 3.372) 10.954 12.887 ( -4.580 -8.279 6.719) 11.605 13.132 ( -0.590 -4.798 7.245) 8.710 14.356 ( -2.928 -7.984 -1.078) 8.573 14.639 ( 0.311 4.380 -4.950) 6.617 15.877 ( -0.023 -5.779 2.740) 6.395 15.966 ( 1.372 7.050 -1.542) 7.346 19.357 ( -1.680 -11.567 -0.636) 11.705 19.570 ( 2.602 -0.336 -1.645) 3.096 21.356 ( -2.028 5.895 5.396) 8.245 22.921 ( 5.992 0.277 -19.270) 20.182 24.297 ( 0.216 -8.085 2.433) 8.446 25.216 ( 1.174 11.258 -5.407) 12.545 27.938 ( -3.874 -4.141 11.279) 12.624 28.250 ( -2.979 5.474 9.763) 11.583 ======================= Grid point 439 (198/429) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( -4.138 15.342 14.306) 21.381 4.498 ( 6.489 9.661 6.443) 13.303 4.637 ( -4.225 7.868 4.928) 10.200 5.295 ( -1.224 -5.763 6.666) 8.897 5.720 ( 6.776 3.864 -3.767) 8.663 5.817 ( -8.639 -4.061 1.011) 9.599 6.406 ( 6.506 2.123 -5.392) 8.713 6.946 ( -3.530 -0.518 -0.076) 3.568 7.335 ( -3.773 2.792 -16.590) 17.242 7.874 ( 2.681 -0.176 6.665) 7.187 9.232 ( 8.944 20.545 7.970) 23.783 9.834 ( -11.971 8.547 -8.582) 17.030 9.876 ( 1.074 5.194 7.110) 8.870 10.230 ( -2.025 2.798 13.293) 13.735 10.776 ( -3.086 0.226 -2.447) 3.945 10.900 ( -2.882 5.158 -2.640) 6.471 11.136 ( 2.154 2.479 -8.716) 9.314 11.596 ( 4.288 3.842 -1.031) 5.849 11.855 ( 1.109 -7.864 4.637) 9.197 12.127 ( 8.352 10.095 -4.064) 13.718 12.333 ( -0.664 13.810 0.911) 13.855 12.701 ( -1.319 -0.992 3.726) 4.075 13.052 ( -10.045 -9.160 7.353) 15.455 13.343 ( -0.560 -15.299 5.409) 16.237 14.450 ( -0.100 -2.133 -1.902) 2.860 14.553 ( 0.141 1.698 -4.764) 5.059 15.726 ( 1.991 16.225 -1.778) 16.443 15.932 ( 1.328 3.649 4.228) 5.740 19.470 ( 1.308 2.257 -0.618) 2.681 19.622 ( 4.058 -5.383 -2.155) 7.077 21.244 ( -5.152 4.461 5.538) 8.781 22.912 ( 5.407 0.161 -21.517) 22.187 24.452 ( 0.977 -7.263 0.824) 7.374 25.002 ( 1.107 11.039 -3.812) 11.731 27.939 ( -7.001 2.465 6.204) 9.674 28.264 ( -0.657 -5.605 16.551) 17.486 ======================= Grid point 440 (199/429) ======================= q-point: (-0.21 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.670 ( -2.084 19.662 20.279) 28.323 4.171 ( -3.419 23.414 17.947) 29.698 4.652 ( 8.142 -3.169 2.882) 9.200 5.345 ( -4.507 0.553 -0.407) 4.559 5.613 ( 8.385 10.462 -7.311) 15.271 5.852 ( -5.711 -4.068 1.345) 7.140 6.357 ( 8.232 8.142 -0.916) 11.614 6.905 ( -6.113 2.107 -0.765) 6.511 7.179 ( -9.128 5.886 -18.779) 21.694 7.903 ( 7.042 1.912 7.315) 10.332 8.786 ( 9.123 31.226 10.347) 34.137 9.502 ( -12.044 15.123 -15.027) 24.487 9.711 ( 3.640 14.898 8.205) 17.393 10.174 ( -3.395 4.785 10.102) 11.683 10.699 ( -1.077 6.091 -5.234) 8.103 10.812 ( -11.786 2.388 -2.976) 12.389 10.980 ( 2.516 13.302 -6.456) 14.999 11.580 ( 4.488 -1.869 -0.198) 4.866 11.850 ( -6.000 5.192 7.061) 10.622 11.917 ( 5.116 13.544 1.748) 14.584 12.375 ( 13.669 -4.881 5.078) 15.377 12.739 ( 1.423 -6.538 -0.603) 6.718 13.225 ( -13.315 -16.123 2.946) 21.117 13.624 ( -3.359 -13.529 2.939) 14.246 14.431 ( 1.218 0.463 -5.120) 5.283 14.612 ( 0.646 -6.194 -1.938) 6.522 15.377 ( 2.857 20.935 -2.340) 21.258 15.800 ( 2.350 11.863 6.138) 13.562 19.329 ( 5.992 13.788 -2.432) 15.229 19.722 ( -2.256 -2.483 0.821) 3.454 21.161 ( -4.844 2.045 4.735) 7.076 22.888 ( 5.277 1.471 -25.561) 26.142 24.535 ( -9.426 -1.261 -2.184) 9.757 24.835 ( 14.309 8.094 -4.061) 16.934 27.837 ( -7.567 4.068 4.046) 9.496 28.470 ( -0.968 -12.188 22.534) 25.638 ======================= Grid point 441 (200/429) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( -1.006 27.424 21.788) 35.040 3.745 ( 0.068 23.656 27.617) 36.363 4.777 ( 9.773 -1.009 6.897) 12.004 5.216 ( -4.944 7.345 -9.404) 12.917 5.402 ( 7.853 16.093 -6.408) 19.019 5.874 ( -4.013 2.020 2.103) 4.960 6.163 ( 6.795 16.947 4.767) 18.870 6.770 ( -10.011 6.495 -5.026) 12.949 6.989 ( -4.777 4.292 -14.691) 16.034 7.898 ( 7.526 4.742 6.234) 10.862 8.301 ( 7.950 25.514 10.984) 28.894 9.130 ( -9.751 12.235 -21.823) 26.852 9.411 ( 5.566 21.405 10.352) 24.419 10.027 ( -4.980 9.956 3.981) 11.822 10.531 ( -8.516 9.635 -1.444) 12.940 10.582 ( -2.368 14.182 -16.619) 21.975 10.653 ( -2.305 17.445 0.187) 17.598 11.538 ( -5.635 12.271 5.225) 14.479 11.814 ( 4.431 2.489 12.062) 13.089 11.926 ( -2.315 -20.218 0.549) 20.358 12.438 ( 12.711 4.425 8.416) 15.874 13.033 ( 8.359 -17.525 -3.590) 19.745 13.498 ( -12.910 -19.748 -0.075) 23.594 13.816 ( -5.483 -10.102 -1.627) 11.608 14.460 ( -0.778 -2.456 -1.563) 3.013 14.750 ( 2.103 -7.498 -3.489) 8.533 15.014 ( 3.235 16.434 -2.721) 16.969 15.586 ( 4.950 12.401 7.574) 15.351 19.009 ( 8.852 24.467 -3.443) 26.245 19.641 ( -13.296 7.530 4.204) 15.848 21.134 ( -0.990 -0.233 2.784) 2.964 22.797 ( 5.194 6.731 -32.326) 33.426 24.344 ( -18.476 9.653 -1.719) 20.917 24.868 ( 28.005 3.174 -9.259) 29.666 27.725 ( -7.635 3.601 3.857) 9.281 28.790 ( -1.904 -17.724 27.130) 32.462 ======================= Grid point 442 (201/429) ======================= q-point: (-0.07 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 3.815 32.415 21.891) 39.301 3.386 ( 3.191 23.235 35.387) 42.453 4.644 ( 6.096 24.736 10.226) 27.452 4.984 ( 2.300 18.588 -12.933) 22.761 5.199 ( 6.268 2.735 1.713) 7.050 5.598 ( -1.747 25.455 6.221) 26.263 5.908 ( 2.842 10.652 -1.219) 11.092 6.636 ( -4.931 1.258 -5.242) 7.306 6.936 ( -1.833 -3.728 -10.494) 11.286 7.825 ( 8.106 9.514 4.775) 13.380 7.996 ( 0.736 11.152 7.249) 13.322 8.868 ( -7.646 6.276 -24.330) 26.264 9.019 ( 5.241 25.044 12.247) 28.366 9.768 ( -2.435 13.309 -3.118) 13.885 10.171 ( -3.996 19.836 -5.170) 20.885 10.276 ( -9.030 10.142 -11.312) 17.674 10.435 ( -0.515 7.897 -1.817) 8.120 11.230 ( -6.076 16.184 4.598) 17.888 11.871 ( 0.218 -3.707 11.743) 12.316 12.276 ( -4.211 -11.319 2.531) 12.339 12.556 ( 9.201 -12.432 12.616) 19.959 13.342 ( 1.705 -10.718 -3.821) 11.505 13.790 ( 0.674 -14.338 -3.334) 14.736 13.970 ( -12.211 -12.444 -3.183) 17.723 14.418 ( 2.184 6.583 6.284) 9.359 14.821 ( 1.628 -1.380 -10.980) 11.186 14.965 ( 0.259 -9.638 0.743) 9.670 15.527 ( 12.629 -2.333 6.546) 14.415 18.488 ( 10.880 36.096 -5.436) 38.090 19.282 ( -25.766 19.657 7.330) 33.227 21.155 ( 1.410 -0.897 0.950) 1.922 22.513 ( 4.007 21.010 -40.807) 46.072 24.024 ( -18.451 11.373 1.433) 21.722 24.952 ( 35.131 5.089 -15.478) 38.725 27.633 ( -7.313 2.251 4.523) 8.888 29.218 ( -4.065 -23.655 28.337) 37.136 ======================= Grid point 446 (202/429) ======================= q-point: ( 0.21 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 14.673 0.000 22.937) 27.229 3.044 ( 32.628 0.000 29.907) 44.261 3.497 ( 0.295 0.000 -3.287) 3.301 4.538 ( 22.019 0.000 27.175) 34.975 5.035 ( 9.864 0.000 -9.628) 13.784 5.466 ( 9.185 0.000 13.604) 16.415 5.892 ( 3.344 0.000 -10.638) 11.151 6.000 ( -6.082 -0.000 1.465) 6.256 7.241 ( 8.431 0.000 -9.232) 12.502 7.727 ( 0.468 0.000 -2.595) 2.637 7.847 ( -1.870 -0.000 -0.032) 1.870 8.021 ( -2.867 -0.000 -5.072) 5.827 8.854 ( -4.058 -0.000 1.201) 4.232 8.984 ( -3.905 -0.000 2.817) 4.815 9.390 ( -6.658 -0.000 -21.549) 22.554 9.896 ( 12.582 0.000 -2.807) 12.891 10.233 ( 0.766 0.000 1.214) 1.435 10.263 ( -18.071 -0.000 -1.185) 18.110 11.613 ( -26.467 -0.000 9.690) 28.185 12.637 ( 4.444 0.000 -11.306) 12.148 13.034 ( -12.309 -0.000 1.616) 12.414 13.690 ( 4.149 0.000 11.218) 11.960 13.923 ( -8.586 -0.000 5.209) 10.042 14.278 ( 2.931 0.000 5.531) 6.259 14.795 ( -0.052 -0.000 -1.865) 1.865 14.936 ( -8.975 -0.000 13.803) 16.464 15.676 ( -5.036 -0.000 1.107) 5.156 16.785 ( -0.459 -0.000 1.158) 1.246 16.818 ( 26.404 0.000 2.956) 26.569 18.073 ( 19.584 0.000 -21.420) 29.023 20.132 ( -0.553 -0.000 2.007) 2.082 21.178 ( 0.518 0.000 -1.609) 1.691 23.421 ( -6.027 -0.000 -5.342) 8.054 25.627 ( 29.729 0.000 -29.180) 41.657 27.504 ( -4.045 -0.000 9.722) 10.530 29.955 ( -25.237 -0.000 12.719) 28.261 ======================= Grid point 447 (203/429) ======================= q-point: ( 0.29 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 15.130 -31.652 18.142) 39.495 3.148 ( 19.594 -0.807 22.881) 30.135 3.906 ( 2.773 -28.515 4.888) 29.063 4.714 ( 5.127 -4.833 7.139) 10.030 5.074 ( 17.665 -2.279 -8.287) 19.645 5.588 ( 15.859 -1.316 17.281) 23.492 5.811 ( 2.270 4.055 -6.263) 7.799 6.207 ( -1.486 -17.116 0.963) 17.207 7.254 ( 6.432 3.409 -10.237) 12.562 7.700 ( 0.560 1.590 0.616) 1.795 7.838 ( -0.256 -2.452 0.970) 2.649 8.035 ( -9.416 -3.642 -6.516) 12.016 8.627 ( -0.781 7.704 -3.158) 8.363 9.271 ( -6.007 -18.035 5.793) 19.872 9.411 ( -2.242 -9.736 -18.022) 20.606 9.916 ( 11.384 2.985 -2.469) 12.025 10.159 ( -13.768 -3.055 1.812) 14.219 10.413 ( -1.797 -14.178 -2.288) 14.473 11.501 ( -27.935 -3.003 15.258) 31.972 12.612 ( 6.656 3.308 -11.205) 13.446 12.931 ( -14.245 2.616 -0.245) 14.485 13.693 ( 4.191 5.126 14.002) 15.489 13.865 ( -5.039 3.521 7.104) 9.395 14.200 ( 2.201 12.090 0.209) 12.290 14.387 ( -1.467 8.213 6.497) 10.574 15.309 ( 1.542 1.786 -4.724) 5.280 15.569 ( -1.073 1.608 8.334) 8.556 16.624 ( 0.074 -7.576 -5.491) 9.357 17.580 ( 38.075 -5.763 -17.911) 42.470 17.610 ( -11.914 6.686 12.193) 18.311 20.626 ( -3.890 -35.663 -1.098) 35.892 21.307 ( 6.851 -16.096 -7.940) 19.211 23.390 ( -5.260 -1.327 -5.701) 7.870 25.737 ( 25.121 -0.226 -29.148) 38.480 27.503 ( -3.211 -0.158 11.381) 11.826 29.735 ( -22.509 9.966 15.340) 29.005 ======================= Grid point 448 (204/429) ======================= q-point: ( 0.36 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 24.509 -21.326 11.946) 34.615 3.551 ( 6.196 -28.194 22.832) 36.805 4.403 ( 2.104 -21.917 0.740) 22.030 4.759 ( -16.689 -4.889 -3.974) 17.839 5.383 ( 14.079 -15.271 -9.405) 22.801 5.669 ( 11.764 3.725 -3.320) 12.779 5.842 ( 12.570 -5.316 7.369) 15.510 6.519 ( 3.060 -13.554 7.102) 15.605 7.121 ( 4.402 10.235 1.964) 11.313 7.755 ( -2.864 -6.458 -5.104) 8.716 7.962 ( 3.246 -4.932 0.301) 5.912 7.981 ( -13.220 -5.683 -5.646) 15.458 8.651 ( 0.469 -10.841 -3.826) 11.506 9.509 ( -6.798 -13.021 2.819) 14.957 9.682 ( 1.069 -18.707 -8.476) 20.566 9.956 ( 9.445 -1.242 -1.959) 9.726 10.212 ( -10.341 -10.177 -0.984) 14.542 10.713 ( 0.265 -17.558 -0.250) 17.561 11.472 ( -22.655 -6.591 18.188) 29.791 12.541 ( 1.228 6.354 -2.688) 7.007 12.784 ( -9.283 4.146 -6.918) 12.297 13.598 ( 7.398 10.538 15.616) 20.240 13.764 ( -5.386 3.648 7.442) 9.885 14.065 ( 4.780 5.706 -1.274) 7.552 14.371 ( -0.603 -4.568 -0.225) 4.613 14.971 ( 0.738 23.991 -4.190) 24.365 15.481 ( 5.734 14.156 0.338) 15.277 16.645 ( 17.037 29.906 -4.578) 34.722 17.248 ( -22.091 -28.826 -11.859) 38.205 18.420 ( 7.968 -34.944 13.935) 38.455 21.064 ( -4.295 -16.121 5.434) 17.546 21.882 ( 12.430 -35.106 -20.805) 42.659 23.392 ( -5.522 -3.530 -4.426) 7.908 25.814 ( 20.261 0.693 -27.204) 33.927 27.522 ( -2.112 -1.270 12.945) 13.177 29.420 ( -17.496 13.396 17.162) 27.930 ======================= Grid point 449 (205/429) ======================= q-point: ( 0.43 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.711 ( 22.877 -17.971 12.393) 31.622 4.165 ( 6.955 -25.687 16.704) 31.420 4.726 ( -19.003 -5.014 -5.712) 20.467 4.800 ( 2.830 -17.992 -7.843) 19.830 5.442 ( -11.105 3.370 -1.109) 11.658 5.669 ( 6.400 6.471 -4.036) 9.956 6.135 ( 13.360 -13.149 -14.260) 23.553 6.808 ( 6.919 -10.158 7.202) 14.245 7.077 ( 9.723 -4.090 24.663) 26.824 7.711 ( -14.754 -0.112 -22.537) 26.937 8.013 ( -2.203 -6.248 2.385) 7.042 8.299 ( 2.427 -22.277 3.852) 22.738 8.977 ( 0.599 -22.398 -0.523) 22.412 9.763 ( -4.287 -16.747 7.229) 18.738 9.999 ( -3.039 -11.744 -3.137) 12.530 10.069 ( 8.761 -9.525 -6.001) 14.265 10.429 ( -3.675 -17.593 -3.720) 18.354 11.045 ( 0.290 -16.279 2.297) 16.443 11.552 ( -13.855 -9.239 14.513) 22.090 12.356 ( -8.658 9.827 4.887) 13.979 12.665 ( 0.004 4.008 -10.128) 10.892 13.459 ( 7.990 12.673 16.774) 22.490 13.710 ( -1.892 1.556 0.358) 2.476 13.955 ( 5.779 8.416 -0.881) 10.247 14.430 ( -0.982 16.894 0.990) 16.951 14.613 ( -0.143 -6.266 -8.219) 10.336 15.183 ( 0.331 16.485 -2.259) 16.643 16.190 ( 9.165 19.807 -4.486) 22.280 17.794 ( -18.061 -36.213 -6.702) 41.018 19.004 ( 1.271 -21.392 12.382) 24.750 21.320 ( 1.602 -11.065 5.882) 12.633 22.496 ( 12.347 -24.346 -23.153) 35.794 23.461 ( -6.212 -8.757 -1.554) 10.849 25.836 ( 15.321 3.143 -23.274) 28.041 27.578 ( -0.934 -2.988 13.737) 14.090 29.109 ( -12.920 13.259 16.478) 24.784 ======================= Grid point 450 (206/429) ======================= q-point: ( 0.50 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.189 ( 18.768 -16.879 13.269) 28.516 4.638 ( 0.726 -15.476 -0.337) 15.497 4.656 ( -14.345 -3.210 0.655) 14.714 5.084 ( 9.530 -6.886 -8.832) 14.706 5.309 ( -8.388 1.588 -1.486) 8.665 5.508 ( -10.521 5.029 0.925) 11.698 6.329 ( 6.318 -4.919 -11.471) 13.989 6.880 ( -1.888 0.461 6.222) 6.519 7.398 ( 14.164 -2.673 8.886) 16.933 7.690 ( -12.740 -12.935 -11.286) 21.378 8.198 ( 4.041 -16.788 6.205) 18.348 8.772 ( -2.437 -25.145 5.598) 25.876 9.449 ( 4.934 -24.051 1.511) 24.599 10.076 ( -4.368 -9.490 3.745) 11.098 10.122 ( -0.164 -13.550 5.263) 14.537 10.355 ( 2.213 -15.024 -6.182) 16.397 10.790 ( 0.749 -21.238 -6.155) 22.124 11.305 ( -0.708 -9.905 2.248) 10.181 11.664 ( -5.328 -5.295 5.149) 9.107 12.173 ( -10.560 2.635 6.748) 12.806 12.586 ( 1.231 3.080 -4.938) 5.949 13.269 ( 4.606 13.830 14.754) 20.741 13.617 ( 8.677 13.357 -1.700) 16.018 13.835 ( 6.290 7.863 -2.034) 10.273 14.035 ( -8.618 13.193 -1.212) 15.805 14.829 ( 2.211 -1.684 -9.632) 10.025 14.991 ( -5.899 -8.408 1.806) 10.429 15.999 ( 3.552 4.627 -3.148) 6.628 18.312 ( -12.350 -29.057 -4.271) 31.860 19.315 ( -1.728 -10.620 8.679) 13.824 21.502 ( 3.647 -4.789 5.477) 8.139 22.826 ( 10.691 -8.651 -21.727) 25.714 23.656 ( -4.651 -14.639 0.492) 15.368 25.780 ( 10.296 6.724 -18.080) 21.865 27.669 ( -0.188 -4.038 13.642) 14.228 28.833 ( -9.510 12.096 14.027) 20.821 ======================= Grid point 451 (207/429) ======================= q-point: ( 0.57 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.485 ( -21.993 2.322 -9.984) 24.264 4.604 ( 13.605 -13.001 12.796) 22.757 4.921 ( 9.798 -4.960 5.269) 12.181 5.045 ( 2.217 9.014 -3.849) 10.049 5.365 ( 6.335 -5.379 3.798) 9.138 5.490 ( -18.785 -11.849 -0.953) 22.230 6.389 ( 2.433 -1.529 -8.904) 9.356 6.867 ( -4.360 -0.350 6.123) 7.525 7.416 ( 3.960 0.898 -12.331) 12.983 7.790 ( -5.069 -3.063 2.859) 6.577 8.732 ( 12.345 -27.082 10.596) 31.593 9.216 ( -5.058 -22.715 8.375) 24.732 9.849 ( 3.037 -12.786 1.212) 13.197 10.154 ( -3.864 -5.476 0.807) 6.751 10.468 ( 1.041 -17.545 6.532) 18.751 10.621 ( -0.727 -13.640 -3.806) 14.179 11.166 ( 2.114 -17.602 -6.947) 19.041 11.372 ( -0.824 2.247 -2.024) 3.135 11.709 ( 0.515 -1.030 -1.427) 1.834 12.177 ( -12.140 -7.676 5.321) 15.317 12.560 ( 1.197 -0.173 3.304) 3.518 13.079 ( 3.470 11.424 9.329) 15.152 13.300 ( 4.983 19.807 4.356) 20.883 13.614 ( 6.179 19.465 -3.452) 20.711 13.973 ( -6.159 -8.706 -2.315) 10.912 14.742 ( -1.836 2.956 -5.992) 6.929 15.314 ( -1.955 -20.203 -0.047) 20.297 15.998 ( 0.571 -2.350 -2.308) 3.343 18.732 ( -6.885 -22.285 -2.660) 23.476 19.458 ( -1.767 -5.228 4.749) 7.281 21.555 ( 2.631 2.020 5.141) 6.119 22.923 ( 8.073 -1.386 -19.285) 20.953 23.912 ( -1.942 -13.342 1.236) 13.539 25.638 ( 5.668 9.982 -12.825) 17.212 27.771 ( -0.316 -4.081 13.238) 13.856 28.591 ( -7.194 10.851 10.997) 17.042 ======================= Grid point 452 (208/429) ======================= q-point: (-0.36 -0.79 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.285 ( -21.082 2.938 -6.780) 22.339 4.845 ( 18.495 5.975 9.879) 21.803 4.882 ( 1.071 4.086 3.031) 5.199 5.034 ( 0.633 -5.401 4.263) 6.910 5.529 ( -11.721 -10.977 8.345) 18.098 5.641 ( 4.315 -7.775 -3.328) 9.494 6.405 ( 1.830 -0.902 -7.190) 7.474 6.873 ( -5.073 -2.252 2.817) 6.224 7.391 ( -0.843 0.311 -17.167) 17.190 7.823 ( 1.283 -1.500 7.987) 8.227 9.260 ( 13.644 -16.915 9.892) 23.878 9.588 ( -4.454 -17.036 10.850) 20.683 9.956 ( -3.454 -1.379 -4.607) 5.921 10.246 ( -4.706 -4.641 7.285) 9.837 10.770 ( 1.002 -10.208 0.314) 10.262 10.849 ( 0.117 -12.399 -3.342) 12.842 11.200 ( 1.360 11.186 -3.115) 11.691 11.471 ( 1.010 -11.672 -5.546) 12.962 11.701 ( 0.767 0.847 -3.762) 3.931 12.280 ( -8.177 -7.353 -1.727) 11.131 12.642 ( 0.714 -6.752 11.607) 13.447 12.842 ( 2.066 15.371 4.095) 16.041 13.117 ( -1.579 2.863 10.268) 10.776 13.215 ( 4.205 23.933 -4.521) 24.717 14.152 ( -1.448 -11.411 -1.468) 11.596 14.683 ( -1.230 1.800 -5.508) 5.924 15.660 ( -0.713 -16.214 1.457) 16.295 16.032 ( -0.059 -0.243 -1.970) 1.986 19.072 ( -2.289 -17.170 -1.618) 17.397 19.534 ( -0.679 -3.308 1.269) 3.608 21.489 ( 0.417 6.527 5.193) 8.352 22.933 ( 6.502 0.671 -18.606) 19.721 24.129 ( -0.481 -10.182 2.124) 10.413 25.434 ( 2.339 11.599 -8.382) 14.500 27.867 ( -1.288 -3.920 13.004) 13.643 28.384 ( -5.511 8.910 8.644) 13.582 ======================= Grid point 453 (209/429) ======================= q-point: (-0.29 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.112 ( -15.959 3.619 1.255) 16.412 4.735 ( 13.896 9.589 4.438) 17.457 4.818 ( -0.290 9.443 7.811) 12.258 5.171 ( -2.593 -7.329 7.764) 10.987 5.660 ( -9.841 -8.001 4.816) 13.567 5.782 ( 10.818 -2.222 -2.111) 11.244 6.427 ( 3.224 -1.145 -5.833) 6.763 6.894 ( -4.804 -2.269 0.533) 5.340 7.318 ( -6.134 1.712 -18.297) 19.373 7.896 ( 6.422 -1.616 9.723) 11.764 9.511 ( 10.648 1.028 6.966) 12.766 9.801 ( -6.620 -4.822 4.412) 9.303 9.918 ( -3.006 0.490 -1.404) 3.353 10.281 ( -3.651 -0.124 11.425) 11.995 10.815 ( -2.890 4.121 -2.066) 5.441 10.966 ( -5.963 3.726 -1.651) 7.223 11.097 ( 8.003 -5.040 -6.693) 11.586 11.617 ( 0.481 -3.968 -1.693) 4.341 11.729 ( 2.471 -4.471 -3.289) 6.075 12.296 ( 1.515 3.485 -3.944) 5.477 12.636 ( -2.952 5.675 3.236) 7.169 12.749 ( 1.631 18.178 -1.666) 18.327 12.871 ( -3.401 -7.557 11.462) 14.144 13.150 ( -2.095 -4.765 8.505) 9.971 14.340 ( 1.263 -8.256 -1.022) 8.414 14.617 ( -0.558 3.834 -5.560) 6.776 15.891 ( 0.276 -6.359 3.092) 7.076 15.970 ( 0.271 6.067 -1.737) 6.317 19.345 ( -0.009 -12.213 -0.529) 12.225 19.584 ( 0.846 -2.169 -1.716) 2.892 21.355 ( -1.692 7.709 5.472) 9.604 22.916 ( 5.656 0.884 -19.427) 20.253 24.305 ( -0.576 -8.373 2.274) 8.696 25.214 ( 1.868 11.147 -5.265) 12.468 27.936 ( -3.717 -1.270 11.367) 12.026 28.251 ( -3.114 2.795 9.680) 10.546 ======================= Grid point 454 (210/429) ======================= q-point: (-0.21 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( -8.581 8.338 11.550) 16.630 4.569 ( -2.857 17.270 13.340) 22.008 4.701 ( 12.832 2.742 3.143) 13.493 5.285 ( -3.595 -4.680 4.061) 7.164 5.713 ( -6.464 -2.049 -2.044) 7.082 5.835 ( 11.165 2.728 -0.052) 11.494 6.457 ( 4.743 -0.162 -4.822) 6.766 6.889 ( -5.100 0.084 -0.090) 5.101 7.189 ( -8.413 3.786 -16.950) 19.298 7.975 ( 7.536 -0.071 9.035) 11.766 9.359 ( 7.102 20.414 5.531) 22.311 9.659 ( -10.945 10.789 -9.758) 18.205 9.914 ( 0.371 3.493 7.822) 8.574 10.266 ( -0.413 3.252 14.333) 14.703 10.684 ( -9.914 2.616 -1.601) 10.378 10.854 ( -2.750 5.125 -5.051) 7.704 11.158 ( 5.979 3.495 -6.734) 9.660 11.633 ( 2.550 2.205 -1.090) 3.543 11.856 ( -2.933 -4.928 2.858) 6.407 12.227 ( 10.583 8.921 -3.929) 14.388 12.351 ( 3.210 8.388 0.728) 9.011 12.687 ( -3.698 -3.987 2.202) 5.866 12.980 ( -6.495 -3.884 8.281) 11.218 13.338 ( -4.208 -14.373 6.266) 16.234 14.456 ( 2.117 -0.841 -1.324) 2.635 14.539 ( 0.962 0.044 -5.603) 5.685 15.736 ( 0.934 15.574 -2.025) 15.733 15.963 ( 0.763 2.665 5.019) 5.734 19.474 ( -0.165 -0.023 -0.252) 0.302 19.642 ( 0.618 -4.294 -2.561) 5.038 21.222 ( -2.149 5.728 5.409) 8.166 22.895 ( 5.478 0.827 -21.403) 22.109 24.429 ( -5.024 -5.036 1.049) 7.191 25.042 ( 7.805 8.041 -4.067) 11.922 27.887 ( -6.049 4.203 6.736) 9.981 28.315 ( -1.163 -7.344 16.091) 17.726 ======================= Grid point 455 (211/429) ======================= q-point: (-0.14 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( -2.261 16.525 18.791) 25.126 4.216 ( -0.872 21.164 19.897) 29.061 4.792 ( 12.478 -3.285 3.567) 13.387 5.282 ( -4.596 3.313 -2.543) 6.210 5.645 ( -0.465 6.091 -8.382) 10.372 5.851 ( 6.125 0.273 2.013) 6.453 6.436 ( 4.742 5.819 -2.437) 7.892 6.817 ( -6.233 4.570 -0.818) 7.771 7.025 ( -6.697 5.078 -12.951) 15.439 8.010 ( 5.973 2.412 7.740) 10.070 8.922 ( 6.772 29.417 7.494) 31.102 9.298 ( -11.761 16.259 -15.820) 25.553 9.783 ( 2.699 12.733 9.193) 15.935 10.180 ( -2.100 7.937 9.394) 12.476 10.581 ( -15.408 2.329 -0.425) 15.589 10.718 ( -1.247 7.036 -7.878) 10.636 10.997 ( 4.070 15.343 -5.574) 16.824 11.621 ( 2.724 -0.760 -1.248) 3.091 11.796 ( -6.035 5.850 4.568) 9.567 11.999 ( 6.041 11.497 5.291) 14.024 12.562 ( 14.157 -6.488 5.682) 16.577 12.766 ( 3.696 -9.924 -1.677) 10.722 13.072 ( -13.874 -12.981 1.744) 19.080 13.588 ( -4.514 -12.750 2.347) 13.727 14.414 ( -1.052 0.778 -4.507) 4.694 14.635 ( 4.523 -6.090 -2.386) 7.953 15.394 ( 1.377 20.116 -1.942) 20.256 15.848 ( 1.743 10.516 6.424) 12.445 19.365 ( 1.652 11.061 -2.792) 11.527 19.669 ( -7.286 1.290 1.283) 7.510 21.151 ( 0.376 1.989 4.377) 4.822 22.858 ( 5.968 2.493 -24.818) 25.647 24.384 ( -13.514 4.463 -0.131) 14.232 25.027 ( 19.534 1.225 -6.400) 20.592 27.773 ( -6.270 4.772 5.228) 9.457 28.537 ( -1.734 -12.978 21.256) 24.965 ======================= Grid point 456 (212/429) ======================= q-point: (-0.07 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( 2.450 25.938 19.858) 32.758 3.878 ( 4.254 20.260 28.857) 35.514 4.909 ( 6.841 3.357 4.366) 8.783 5.157 ( 1.878 2.248 -7.993) 8.513 5.448 ( 3.619 14.466 -8.338) 17.084 5.862 ( 2.423 4.426 -0.608) 5.082 6.247 ( 2.886 16.628 2.950) 17.132 6.646 ( -5.750 6.914 -2.631) 9.369 6.908 ( -2.885 2.205 -6.565) 7.502 7.980 ( 3.443 4.907 6.261) 8.668 8.429 ( 6.259 26.740 7.376) 28.436 8.918 ( -11.004 11.672 -22.466) 27.605 9.509 ( 2.882 20.294 12.124) 23.815 9.981 ( -4.308 11.716 1.704) 12.599 10.375 ( -15.066 9.450 0.792) 17.802 10.512 ( -0.097 13.959 -14.019) 19.784 10.663 ( 3.441 17.606 -2.470) 18.108 11.494 ( -5.028 13.503 3.896) 14.926 11.826 ( -6.543 -5.538 10.094) 13.243 11.980 ( 7.732 -8.140 2.596) 11.523 12.612 ( 11.247 3.146 9.531) 15.075 13.101 ( 3.186 -14.598 -3.585) 15.365 13.354 ( -8.494 -24.604 -1.429) 26.069 13.761 ( -2.572 -8.263 -3.017) 9.164 14.425 ( -4.027 -3.158 -1.280) 5.276 14.782 ( 5.429 -6.534 -4.444) 9.588 15.035 ( 1.573 16.451 -0.600) 16.537 15.673 ( 5.402 9.049 6.722) 12.500 19.064 ( 2.580 21.687 -6.070) 22.668 19.476 ( -17.131 12.676 6.783) 22.364 21.158 ( 3.137 -0.233 2.829) 4.231 22.748 ( 6.819 8.774 -30.149) 32.132 24.140 ( -16.061 10.961 0.577) 19.453 25.147 ( 26.388 -0.326 -12.393) 29.156 27.662 ( -6.082 4.007 5.429) 9.084 28.857 ( -3.594 -17.797 24.940) 30.849 ======================= Grid point 461 (213/429) ======================= q-point: ( 0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 12.932 0.000 21.226) 24.855 3.477 ( 21.446 0.000 32.210) 38.696 3.487 ( 0.342 0.000 -3.746) 3.761 4.651 ( -14.032 -0.000 -3.268) 14.408 5.220 ( 31.132 0.000 -6.491) 31.801 5.731 ( 21.250 0.000 21.719) 30.385 5.907 ( 5.837 0.000 -6.562) 8.782 5.945 ( -4.500 -0.000 2.459) 5.128 7.287 ( 6.148 0.000 -12.202) 13.663 7.714 ( -1.247 -0.000 -1.845) 2.227 7.833 ( -0.374 -0.000 -0.572) 0.684 7.955 ( -3.936 -0.000 -8.849) 9.685 8.817 ( -3.774 -0.000 4.355) 5.763 8.962 ( -2.473 -0.000 5.186) 5.745 9.266 ( -1.483 -0.000 -18.770) 18.829 9.994 ( -10.789 -0.000 8.043) 13.457 10.076 ( 3.826 0.000 -10.867) 11.521 10.243 ( 0.333 0.000 0.595) 0.682 11.326 ( -29.484 -0.000 16.045) 33.568 12.646 ( 1.947 0.000 -10.128) 10.313 12.865 ( -13.756 -0.000 -4.393) 14.441 13.770 ( 2.290 0.000 10.900) 11.138 13.892 ( -1.187 -0.000 6.462) 6.570 14.335 ( 3.029 0.000 4.934) 5.789 14.787 ( -0.045 -0.000 -1.817) 1.818 14.883 ( -8.672 -0.000 15.771) 17.998 15.640 ( -0.975 -0.000 -1.384) 1.693 16.784 ( -0.441 -0.000 1.146) 1.228 17.119 ( 18.986 0.000 10.437) 21.666 18.226 ( 22.977 0.000 -28.567) 36.661 20.133 ( -0.547 -0.000 2.042) 2.114 21.178 ( 0.538 0.000 -1.594) 1.682 23.342 ( -3.318 -0.000 -7.174) 7.904 25.818 ( 22.434 0.000 -30.083) 37.527 27.507 ( -2.717 -0.000 12.849) 13.134 29.716 ( -24.231 -0.000 14.206) 28.088 ======================= Grid point 462 (214/429) ======================= q-point: ( 0.36 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 11.377 -33.146 17.912) 39.356 3.393 ( 11.180 -0.625 12.660) 16.902 3.985 ( 4.819 -24.018 13.669) 28.052 4.553 ( -24.418 -3.122 -6.674) 25.505 5.340 ( 25.906 1.143 -11.484) 28.361 5.781 ( 6.828 3.550 -7.137) 10.496 5.955 ( 22.754 1.759 17.278) 28.624 6.213 ( 0.917 -19.904 7.598) 21.325 7.279 ( 4.258 2.937 -9.955) 11.218 7.694 ( -1.067 1.418 -3.770) 4.167 7.833 ( -3.505 -2.680 1.631) 4.704 7.914 ( -3.947 -0.537 -7.548) 8.535 8.622 ( 1.142 6.870 -0.798) 7.010 9.225 ( -4.995 -14.970 5.558) 16.732 9.353 ( 1.561 -13.295 -12.597) 18.381 9.953 ( -17.372 -5.138 4.877) 18.760 10.047 ( 8.997 2.723 -6.004) 11.153 10.425 ( 3.695 -13.892 -0.630) 14.388 11.241 ( -26.341 -5.317 17.694) 32.175 12.598 ( -8.683 2.381 -0.678) 9.029 12.778 ( -3.502 1.407 -12.798) 13.342 13.791 ( 3.062 2.300 13.708) 14.233 13.854 ( -2.382 5.078 8.355) 10.063 14.226 ( 3.196 12.445 -1.859) 12.982 14.423 ( 2.339 7.977 8.222) 11.692 15.291 ( -1.909 0.549 -3.710) 4.208 15.589 ( -0.173 -4.584 7.621) 8.895 16.603 ( 0.233 -0.469 -6.155) 6.177 17.514 ( -11.444 14.107 7.759) 19.753 17.959 ( 36.433 -4.379 -14.411) 39.423 20.577 ( -4.751 -32.150 1.588) 32.538 21.357 ( 7.007 -20.197 -8.451) 22.988 23.320 ( -2.455 -0.923 -7.156) 7.622 25.883 ( 19.079 0.192 -29.494) 35.127 27.521 ( -1.963 -0.382 14.488) 14.626 29.533 ( -21.620 7.233 14.968) 27.273 ======================= Grid point 463 (215/429) ======================= q-point: ( 0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.513 ( 20.755 -28.957 11.609) 37.470 3.661 ( 1.242 -22.414 14.692) 26.829 4.446 ( 3.115 -19.914 4.299) 20.610 4.476 ( -26.185 -6.332 -5.900) 27.578 5.427 ( -0.403 0.122 -3.962) 3.985 5.792 ( 16.254 -1.385 -18.285) 24.505 6.043 ( 13.585 1.418 3.400) 14.076 6.618 ( 7.171 -16.374 13.088) 22.154 7.191 ( 4.681 5.969 7.667) 10.785 7.636 ( -9.434 2.323 -16.030) 18.745 7.841 ( -6.364 -7.341 1.719) 9.867 8.038 ( 4.907 -9.621 1.674) 10.929 8.662 ( 4.113 -10.327 -3.249) 11.581 9.460 ( -3.007 -13.923 2.076) 14.394 9.667 ( 0.231 -17.820 -4.258) 18.323 10.001 ( -7.318 -6.447 2.781) 10.141 10.123 ( 3.543 -8.630 -5.252) 10.706 10.746 ( 4.447 -16.709 1.047) 17.322 11.288 ( -19.898 -10.376 17.105) 28.216 12.445 ( -15.888 6.024 3.543) 17.357 12.727 ( 4.965 2.480 -13.407) 14.510 13.731 ( -4.502 5.756 10.102) 12.468 13.749 ( 6.602 7.468 14.113) 17.278 14.121 ( 5.345 4.246 -1.126) 6.919 14.379 ( 2.184 -1.511 -0.152) 2.660 14.962 ( 0.128 23.554 -3.555) 23.821 15.533 ( 3.514 16.412 -0.478) 16.791 16.775 ( 7.442 34.507 -6.993) 35.987 16.977 ( -16.356 -32.579 -7.541) 37.226 18.580 ( 11.381 -28.147 10.287) 32.056 21.031 ( -5.278 -20.079 6.322) 21.703 21.952 ( 12.293 -34.156 -18.793) 40.877 23.326 ( -2.455 -2.826 -5.590) 6.728 25.918 ( 15.233 1.271 -27.250) 31.245 27.558 ( -0.912 -1.561 15.794) 15.897 29.276 ( -17.353 10.342 15.227) 25.297 ======================= Grid point 464 (216/429) ======================= q-point: ( 0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.009 ( 18.549 -16.455 11.154) 27.189 4.248 ( -2.832 -26.226 4.720) 26.798 4.445 ( -20.691 -8.441 -1.776) 22.417 4.831 ( 3.653 -18.154 -3.124) 18.780 5.300 ( -9.402 7.057 -2.358) 11.989 5.763 ( 10.452 12.485 -1.675) 16.368 6.182 ( 4.585 -10.262 -17.740) 21.001 6.865 ( -0.317 -3.490 4.631) 5.807 7.323 ( 10.882 -14.444 24.748) 30.651 7.484 ( -6.577 2.989 -17.544) 18.973 7.999 ( -1.454 -8.980 2.039) 9.322 8.321 ( -1.483 -19.770 2.919) 20.040 9.027 ( 8.022 -23.361 -0.897) 24.716 9.751 ( -2.057 -17.343 6.157) 18.518 9.929 ( -6.153 -11.141 -2.152) 12.908 10.149 ( 6.589 -10.160 -2.719) 12.411 10.386 ( -0.145 -18.582 -3.533) 18.915 11.074 ( 2.413 -14.689 3.102) 15.205 11.447 ( -12.407 -12.702 11.928) 21.390 12.227 ( -12.914 7.656 1.353) 15.074 12.672 ( 4.229 4.337 -6.111) 8.605 13.580 ( -1.481 12.056 16.263) 20.299 13.714 ( 4.829 1.209 2.688) 5.657 14.024 ( 5.789 8.466 0.114) 10.257 14.428 ( -0.016 19.301 0.792) 19.317 14.591 ( 1.546 -6.598 -8.061) 10.531 15.163 ( -1.494 19.456 -4.104) 19.940 16.232 ( 1.608 19.950 -7.684) 21.439 17.608 ( -9.951 -37.072 -3.869) 38.578 19.071 ( 2.783 -17.389 10.991) 20.759 21.347 ( -1.111 -13.912 6.218) 15.279 22.556 ( 12.344 -23.722 -21.810) 34.507 23.401 ( -2.869 -8.476 -2.115) 9.195 25.901 ( 10.732 3.783 -23.264) 25.898 27.631 ( 0.215 -3.030 16.167) 16.450 29.011 ( -13.448 10.884 14.071) 22.300 ======================= Grid point 465 (217/429) ======================= q-point: (-0.43 -0.71 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.319 ( -25.596 -2.907 -9.829) 27.572 4.438 ( 14.514 -15.936 11.985) 24.663 4.758 ( 1.717 -17.672 5.365) 18.548 5.094 ( -18.815 -1.646 -1.563) 18.951 5.184 ( 13.562 -9.066 -8.492) 18.391 5.548 ( 9.072 14.334 6.374) 18.122 6.314 ( -0.718 -5.723 -14.373) 15.487 6.857 ( -6.547 1.115 7.372) 9.922 7.382 ( -5.279 -0.519 -20.476) 21.152 7.726 ( 9.592 -8.143 16.287) 20.581 8.296 ( 7.673 -24.591 8.319) 27.070 8.739 ( -6.409 -24.829 5.422) 26.210 9.548 ( 10.031 -23.274 0.608) 25.351 9.993 ( -9.402 -8.093 0.268) 12.409 10.142 ( -0.187 -17.075 6.643) 18.323 10.398 ( 6.594 -11.161 -1.392) 13.038 10.773 ( 0.987 -21.969 -6.724) 22.996 11.312 ( -0.084 -8.407 1.980) 8.637 11.622 ( -5.111 -8.689 5.024) 11.263 12.053 ( -10.356 2.550 -0.507) 10.677 12.605 ( 1.818 3.505 1.072) 4.092 13.345 ( -2.236 13.373 15.299) 20.442 13.722 ( 10.063 8.942 -0.728) 13.482 13.865 ( -1.503 8.105 -0.537) 8.260 13.985 ( 3.005 18.905 -2.173) 19.266 14.815 ( 0.919 4.763 -8.829) 10.074 14.926 ( -5.006 -14.392 -0.216) 15.239 16.000 ( -0.830 4.631 -5.459) 7.207 18.195 ( -5.438 -30.235 -2.768) 30.845 19.335 ( -0.056 -8.709 8.066) 11.871 21.545 ( 0.086 -5.796 5.588) 8.051 22.867 ( 10.142 -7.395 -21.286) 24.711 23.623 ( -1.292 -15.482 0.300) 15.538 25.807 ( 5.975 7.248 -18.094) 20.387 27.728 ( 0.756 -3.554 15.619) 16.036 28.764 ( -10.498 10.459 11.813) 18.951 ======================= Grid point 466 (218/429) ======================= q-point: (-0.36 -0.71 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.167 ( -24.275 0.645 -8.321) 25.670 4.795 ( 8.276 -11.159 14.331) 19.960 4.963 ( 1.096 0.516 -8.898) 8.981 5.058 ( -10.830 -9.520 5.238) 15.341 5.347 ( 6.281 3.799 6.086) 9.536 5.516 ( 12.974 -8.388 -2.004) 15.579 6.362 ( -0.930 -2.984 -9.448) 9.952 6.815 ( -7.875 -0.448 6.367) 10.136 7.333 ( -4.646 -0.601 -19.190) 19.753 7.847 ( 6.908 -0.744 10.758) 12.806 8.924 ( 12.805 -28.180 9.482) 32.373 9.185 ( -5.673 -24.513 10.255) 27.171 9.870 ( -1.054 -6.298 -6.900) 9.401 10.107 ( -3.929 -8.610 9.614) 13.490 10.496 ( 0.562 -18.166 2.423) 18.335 10.628 ( 3.361 -10.606 -0.454) 11.135 11.158 ( 1.571 -18.340 -7.709) 19.957 11.368 ( 1.019 2.540 -2.112) 3.457 11.714 ( 1.259 -0.933 -1.335) 2.059 12.033 ( -13.183 -8.311 -0.537) 15.593 12.589 ( -0.554 -1.063 7.757) 7.849 13.151 ( 1.222 9.673 12.448) 15.812 13.335 ( -1.390 22.971 3.081) 23.218 13.667 ( 5.549 20.722 -5.066) 22.042 13.943 ( 2.602 -9.416 -1.006) 9.821 14.692 ( -2.390 2.343 -6.121) 6.977 15.295 ( -1.091 -21.053 -0.524) 21.088 15.980 ( -1.742 -2.848 -3.628) 4.930 18.675 ( -1.218 -23.431 -2.047) 23.552 19.462 ( -0.516 -4.366 4.517) 6.304 21.587 ( -0.539 1.961 5.300) 5.677 22.942 ( 7.547 -0.593 -19.295) 20.727 23.908 ( 0.514 -13.740 1.043) 13.789 25.635 ( 2.013 10.128 -12.787) 16.436 27.825 ( 0.374 -3.187 14.834) 15.177 28.538 ( -8.332 9.671 9.208) 15.740 ======================= Grid point 467 (219/429) ======================= q-point: (-0.29 -0.71 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.018 ( -20.003 -0.494 -3.898) 20.385 4.900 ( 1.097 4.079 0.065) 4.224 5.004 ( -2.992 -5.874 13.094) 14.660 5.087 ( 6.435 5.657 1.167) 8.647 5.432 ( -2.997 -9.901 7.573) 12.821 5.757 ( 14.163 -7.354 -4.048) 16.464 6.395 ( 0.801 -2.259 -6.003) 6.464 6.816 ( -5.797 -2.741 3.415) 7.265 7.263 ( -7.527 0.647 -17.487) 19.049 7.931 ( 8.480 -1.359 10.430) 13.511 9.428 ( 8.851 -15.872 4.717) 18.775 9.611 ( 1.349 -17.237 15.358) 23.125 9.868 ( -8.183 -1.189 -10.651) 13.484 10.228 ( -3.293 -3.953 12.385) 13.411 10.734 ( -5.052 -7.274 1.201) 8.938 10.878 ( 4.832 -11.964 -3.103) 13.271 11.216 ( 3.315 10.672 -3.555) 11.726 11.460 ( 0.844 -11.693 -6.240) 13.281 11.696 ( 0.824 0.403 -4.368) 4.463 12.168 ( -8.903 -10.984 -2.879) 14.429 12.675 ( -2.589 -6.754 11.351) 13.460 12.885 ( 1.626 18.309 4.680) 18.967 13.122 ( -3.812 2.306 10.955) 11.826 13.244 ( 3.429 24.317 -4.334) 24.937 14.166 ( 4.632 -11.163 -1.466) 12.174 14.647 ( -1.308 1.171 -5.546) 5.817 15.659 ( -0.401 -17.021 1.510) 17.093 16.015 ( -1.424 -1.000 -2.568) 3.102 19.062 ( 1.699 -17.817 -1.511) 17.962 19.531 ( -0.634 -3.004 1.223) 3.305 21.503 ( -1.439 6.858 5.380) 8.835 22.936 ( 6.195 1.237 -18.834) 19.866 24.138 ( 0.641 -10.005 2.033) 10.229 25.417 ( 0.189 10.926 -8.266) 13.702 27.907 ( -0.790 -2.548 14.225) 14.473 28.344 ( -6.375 7.510 7.353) 12.292 ======================= Grid point 468 (220/429) ======================= q-point: (-0.21 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.942 ( -13.365 -1.522 3.392) 13.873 4.802 ( -1.179 7.791 8.273) 11.425 4.936 ( 10.323 10.783 2.922) 15.211 5.150 ( -5.499 -7.382 6.120) 11.054 5.595 ( -4.065 -6.560 5.705) 9.597 5.923 ( 14.446 -1.945 -4.025) 15.122 6.434 ( 1.616 -2.124 -5.680) 6.276 6.848 ( -2.930 -2.287 1.853) 4.153 7.158 ( -9.413 1.898 -15.044) 17.847 8.027 ( 8.286 -1.175 9.597) 12.733 9.591 ( -0.952 2.730 -4.564) 5.403 9.757 ( 0.163 3.084 2.096) 3.733 9.905 ( -1.903 -5.137 6.957) 8.855 10.299 ( -0.689 -2.620 14.220) 14.476 10.743 ( -7.349 3.573 -1.629) 8.332 10.910 ( -2.781 6.521 -1.124) 7.178 11.170 ( 8.341 -3.604 -6.114) 10.952 11.605 ( -1.517 -5.345 -1.167) 5.677 11.744 ( 2.807 -4.591 -5.502) 7.696 12.283 ( -1.126 -4.561 -4.209) 6.308 12.615 ( -2.272 6.640 3.846) 8.003 12.761 ( 2.550 23.187 -3.847) 23.642 12.882 ( -3.486 -8.806 12.366) 15.576 13.145 ( -4.048 -3.108 9.460) 10.748 14.381 ( 6.121 -8.074 -1.275) 10.212 14.586 ( -1.090 3.662 -5.324) 6.553 15.905 ( 0.224 -6.506 2.695) 7.045 15.959 ( -1.111 4.781 -1.430) 5.113 19.353 ( 1.704 -11.431 -0.513) 11.568 19.577 ( -1.019 -2.556 -1.750) 3.261 21.358 ( -1.400 7.961 5.523) 9.790 22.909 ( 5.719 1.330 -19.443) 20.310 24.300 ( -1.558 -6.812 2.372) 7.379 25.220 ( 2.507 8.631 -5.372) 10.471 27.936 ( -3.518 1.814 11.453) 12.118 28.250 ( -3.250 -0.400 9.600) 10.143 ======================= Grid point 469 (221/429) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.902 ( -5.538 2.668 12.358) 13.802 4.589 ( -1.948 15.405 14.609) 21.320 4.865 ( 11.980 3.464 0.869) 12.501 5.249 ( -4.321 -4.401 2.005) 6.486 5.630 ( -7.242 -0.209 0.830) 7.292 5.985 ( 14.603 3.372 -3.207) 15.327 6.460 ( -0.567 -1.089 -7.808) 7.904 6.860 ( 0.363 0.924 2.877) 3.043 7.032 ( -8.908 2.836 -11.311) 14.675 8.093 ( 6.567 0.795 8.330) 10.637 9.362 ( -7.951 15.315 -10.619) 20.262 9.569 ( 0.138 17.317 3.235) 17.617 9.945 ( 0.345 2.157 8.260) 8.544 10.333 ( 2.355 4.306 14.964) 15.748 10.552 ( -11.421 6.517 -1.240) 13.208 10.808 ( -1.018 4.023 -5.948) 7.253 11.210 ( 6.220 4.583 -4.942) 9.171 11.644 ( 0.022 0.417 -1.779) 1.827 11.821 ( -3.687 -1.878 0.478) 4.165 12.324 ( 7.159 15.874 -1.368) 17.468 12.412 ( 6.565 -6.460 -0.810) 9.246 12.637 ( -4.924 -6.462 2.062) 8.381 12.966 ( -1.890 1.513 8.605) 8.939 13.295 ( -6.718 -14.192 5.643) 16.685 14.465 ( -0.344 4.958 -3.145) 5.881 14.554 ( 5.454 -5.299 -3.517) 8.378 15.732 ( -0.334 15.008 -1.997) 15.144 15.986 ( 0.061 1.783 4.941) 5.253 19.462 ( -1.773 0.428 -0.862) 2.018 19.619 ( -2.848 -2.888 -1.800) 4.437 21.235 ( 0.988 5.286 5.239) 7.507 22.882 ( 6.087 1.223 -20.839) 21.744 24.357 ( -7.557 -0.675 1.748) 7.785 25.136 ( 10.612 2.475 -5.158) 12.056 27.849 ( -5.017 5.408 7.492) 10.515 28.357 ( -1.714 -8.725 15.288) 17.686 ======================= Grid point 470 (222/429) ======================= q-point: (-0.07 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.776 ( 1.609 13.511 18.068) 22.618 4.302 ( 2.424 17.447 21.028) 27.431 4.941 ( 10.526 -3.467 0.344) 11.088 5.228 ( -2.617 4.874 -2.749) 6.177 5.552 ( -9.294 1.963 -7.150) 11.889 5.978 ( 13.781 4.850 -2.183) 14.772 6.408 ( -5.631 3.834 -9.381) 11.594 6.814 ( 4.459 7.002 6.417) 10.492 6.919 ( -5.517 2.379 -5.433) 8.100 8.100 ( 4.527 3.583 7.258) 9.274 8.925 ( -8.254 22.351 -10.925) 26.212 9.173 ( -1.661 22.828 0.285) 22.890 9.843 ( 1.714 11.547 9.672) 15.160 10.184 ( -2.897 11.451 4.601) 12.676 10.411 ( -12.693 3.677 4.752) 14.043 10.688 ( 1.413 7.765 -8.873) 11.875 11.030 ( 4.731 16.437 -4.823) 17.771 11.627 ( -1.197 1.215 -1.472) 2.253 11.751 ( -3.598 3.927 2.182) 5.756 12.090 ( 4.997 9.694 8.103) 13.587 12.732 ( 8.900 -3.119 6.854) 11.659 12.812 ( 6.629 -22.432 -3.608) 23.668 12.929 ( -10.398 -4.008 1.555) 11.252 13.542 ( -4.084 -13.302 0.993) 13.950 14.371 ( -3.480 1.657 -4.137) 5.654 14.691 ( 6.214 -5.817 -2.597) 8.899 15.395 ( -0.072 19.329 -1.324) 19.374 15.888 ( 1.382 8.892 5.599) 10.598 19.335 ( -4.962 10.176 -5.201) 12.458 19.578 ( -8.661 4.876 4.010) 10.718 21.200 ( 4.960 1.492 4.294) 6.728 22.844 ( 7.205 3.084 -23.377) 24.656 24.234 ( -12.308 7.324 1.157) 14.369 25.223 ( 18.540 -2.887 -8.658) 20.665 27.730 ( -4.809 5.257 6.638) 9.738 28.588 ( -2.670 -13.352 19.539) 23.816 ======================= Grid point 476 (223/429) ======================= q-point: ( 0.36 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 7.033 0.000 20.171) 21.362 3.481 ( 1.413 0.000 -4.157) 4.391 3.792 ( 11.661 0.000 31.588) 33.671 4.347 ( -29.763 -0.000 -7.344) 30.655 5.555 ( 29.517 0.000 -19.131) 35.174 5.885 ( 2.131 0.000 -2.114) 3.001 5.915 ( -2.372 -0.000 3.243) 4.018 6.177 ( 29.861 0.000 23.617) 38.072 7.290 ( 2.782 0.000 -14.017) 14.291 7.689 ( -1.688 -0.000 -1.215) 2.080 7.833 ( 1.034 0.000 -1.644) 1.942 7.860 ( -5.486 -0.000 -13.061) 14.166 8.804 ( -1.932 -0.000 7.217) 7.471 8.966 ( -0.782 -0.000 7.176) 7.218 9.209 ( 2.532 0.000 -15.842) 16.043 9.792 ( -18.403 -0.000 3.481) 18.730 10.195 ( 12.324 0.000 -3.183) 12.728 10.245 ( -0.202 -0.000 0.063) 0.211 11.068 ( -24.380 -0.000 17.541) 30.034 12.541 ( -17.301 -0.000 3.376) 17.627 12.760 ( 3.488 0.000 -17.498) 17.842 13.819 ( 1.013 0.000 4.595) 4.705 13.930 ( 0.732 0.000 13.431) 13.451 14.380 ( 2.321 0.000 2.656) 3.528 14.781 ( 0.089 0.000 -1.775) 1.777 14.862 ( -5.467 -0.000 16.859) 17.723 15.639 ( 1.919 0.000 -2.131) 2.868 16.783 ( -0.409 -0.000 1.135) 1.206 17.309 ( 5.492 0.000 12.113) 13.300 18.403 ( 26.662 0.000 -31.299) 41.116 20.135 ( -0.561 -0.000 2.073) 2.147 21.179 ( 0.553 0.000 -1.579) 1.673 23.290 ( -0.743 -0.000 -8.165) 8.199 25.934 ( 17.016 0.000 -30.144) 34.615 27.536 ( -1.664 -0.000 16.039) 16.125 29.497 ( -22.231 -0.000 14.095) 26.322 ======================= Grid point 477 (224/429) ======================= q-point: ( 0.43 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 1.773 -33.246 17.615) 37.666 3.528 ( 8.095 -5.947 3.417) 10.610 4.094 ( -4.179 -17.541 16.759) 24.618 4.204 ( -22.960 -4.843 -3.251) 23.689 5.509 ( 8.552 8.144 -6.992) 13.724 5.839 ( 12.622 1.663 -19.428) 23.228 6.143 ( 1.433 -7.749 1.438) 8.010 6.426 ( 23.720 -7.442 23.217) 34.015 7.278 ( 1.474 0.422 -9.030) 9.159 7.629 ( -5.096 4.131 -11.542) 13.276 7.777 ( -3.729 2.667 0.442) 4.606 7.898 ( 1.527 -7.616 -2.960) 8.312 8.649 ( 3.379 6.099 1.322) 7.097 9.208 ( -0.620 -12.942 4.237) 13.632 9.340 ( 2.137 -14.850 -7.098) 16.597 9.766 ( -15.044 -6.806 4.105) 17.015 10.131 ( 6.537 2.690 -2.551) 7.515 10.481 ( 5.285 -14.455 0.298) 15.393 11.035 ( -19.183 -6.484 16.864) 26.352 12.423 ( -18.060 2.054 3.652) 18.540 12.755 ( 5.755 0.270 -15.870) 16.883 13.833 ( -1.569 2.060 3.160) 4.085 13.891 ( 0.100 5.076 18.630) 19.309 14.267 ( 5.007 10.262 -2.298) 11.648 14.492 ( 3.752 8.421 8.187) 12.329 15.236 ( -5.276 -1.873 -2.820) 6.269 15.632 ( 2.920 -5.765 7.077) 9.584 16.584 ( 0.561 6.653 -6.704) 9.461 17.390 ( -13.565 16.515 3.420) 21.643 18.313 ( 32.371 -2.700 -12.230) 34.710 20.525 ( -5.760 -29.262 3.288) 30.004 21.407 ( 7.002 -23.796 -8.796) 26.318 23.278 ( 0.078 -0.663 -7.889) 7.917 25.966 ( 14.218 0.465 -29.438) 32.695 27.564 ( -1.014 -0.623 17.529) 17.569 29.344 ( -19.805 5.423 14.053) 24.883 ======================= Grid point 478 (225/429) ======================= q-point: (-0.50 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.596 ( -11.363 -35.117 10.548) 38.388 3.843 ( 18.921 -18.694 8.728) 27.993 4.120 ( -29.609 -8.526 -3.655) 31.028 4.518 ( 4.611 -18.546 7.320) 20.465 5.387 ( -3.817 6.235 -0.951) 7.372 5.884 ( 12.816 -3.290 -26.380) 29.512 6.153 ( 4.428 6.573 1.619) 8.089 6.749 ( 5.902 -10.092 9.634) 15.149 7.277 ( 2.964 -0.633 7.581) 8.164 7.487 ( -3.711 2.939 -13.605) 14.405 7.798 ( -3.358 -7.921 3.134) 9.157 8.078 ( 0.827 -9.045 1.662) 9.233 8.723 ( 8.006 -11.553 -3.044) 14.382 9.460 ( 2.259 -14.063 1.435) 14.316 9.654 ( -0.820 -15.402 0.017) 15.424 9.889 ( -9.263 -13.884 2.251) 16.841 10.197 ( 8.331 -5.466 -2.239) 10.212 10.809 ( 4.781 -16.103 1.290) 16.847 11.143 ( -14.857 -12.010 14.730) 24.124 12.272 ( -13.470 4.590 1.588) 14.319 12.743 ( 4.250 1.936 -9.825) 10.878 13.701 ( -5.133 6.480 6.964) 10.809 13.880 ( 4.268 4.591 17.602) 18.685 14.178 ( 5.016 4.085 -1.372) 6.613 14.417 ( 4.088 1.780 0.193) 4.463 14.942 ( -1.296 21.778 -3.997) 22.179 15.568 ( 3.069 19.896 -0.528) 20.139 16.679 ( -13.861 17.457 -11.202) 24.947 16.898 ( 2.402 -17.515 -3.446) 18.011 18.760 ( 13.244 -20.660 8.033) 25.822 20.985 ( -6.708 -22.951 6.510) 24.781 22.026 ( 12.047 -33.830 -17.725) 40.047 23.292 ( 0.296 -2.420 -6.131) 6.598 25.966 ( 10.486 1.755 -27.201) 29.205 27.618 ( 0.080 -1.867 18.458) 18.553 29.132 ( -16.386 8.249 13.666) 22.876 ======================= Grid point 479 (226/429) ======================= q-point: (-0.43 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.002 ( -24.468 -15.584 -3.073) 29.172 4.181 ( -9.551 -16.500 3.645) 19.410 4.383 ( 6.518 -21.443 12.218) 25.526 4.870 ( 4.796 -13.604 -0.783) 14.446 5.242 ( 2.181 5.391 -4.572) 7.398 5.892 ( 11.777 11.781 0.616) 16.669 6.107 ( -4.817 -7.956 -20.166) 22.208 6.846 ( -5.585 -0.279 4.749) 7.336 7.297 ( -3.691 -0.806 -14.002) 14.502 7.612 ( 11.077 -13.299 18.512) 25.343 7.997 ( -0.133 -12.358 1.907) 12.505 8.290 ( -5.117 -16.946 3.215) 17.992 9.137 ( 10.589 -24.651 -2.163) 26.916 9.756 ( -0.969 -13.387 4.747) 14.237 9.873 ( -1.905 -11.801 2.996) 12.323 10.190 ( 2.695 -17.491 -3.930) 18.129 10.415 ( 6.200 -13.437 -0.343) 14.802 11.107 ( 0.564 -12.803 2.881) 13.135 11.354 ( -10.165 -14.873 8.975) 20.126 12.107 ( -6.215 6.446 -1.558) 9.089 12.688 ( 0.610 3.936 -2.013) 4.463 13.549 ( -9.379 8.518 10.261) 16.303 13.838 ( 9.105 5.187 10.727) 14.996 14.085 ( 4.526 8.249 0.023) 9.409 14.430 ( -0.537 18.480 0.505) 18.495 14.589 ( 3.493 -5.484 -8.168) 10.440 15.127 ( -1.264 22.488 -5.102) 23.094 16.172 ( -5.827 17.301 -10.187) 20.906 17.530 ( -1.693 -36.537 -2.447) 36.658 19.155 ( 4.833 -13.488 10.153) 17.561 21.340 ( -4.122 -16.063 6.074) 17.661 22.619 ( 12.240 -22.736 -21.426) 33.553 23.378 ( 0.254 -8.533 -2.214) 8.819 25.911 ( 5.894 4.301 -23.208) 24.328 27.704 ( 1.186 -2.983 18.288) 18.568 28.903 ( -13.425 9.202 12.399) 20.461 ======================= Grid point 480 (227/429) ======================= q-point: (-0.36 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.986 ( -26.255 -3.574 -4.887) 26.944 4.555 ( -7.901 -23.145 3.291) 24.676 4.702 ( -7.772 -10.927 14.615) 19.834 4.978 ( 2.079 0.524 -8.518) 8.784 5.355 ( 20.208 -9.457 -8.095) 23.735 5.705 ( 11.180 13.659 9.031) 19.828 6.216 ( -4.670 -8.643 -16.047) 18.816 6.792 ( -8.470 1.416 6.754) 10.925 7.261 ( -3.571 -0.482 -16.497) 16.886 7.885 ( 7.631 -3.494 11.876) 14.543 8.418 ( 6.107 -31.011 8.447) 32.716 8.676 ( -6.755 -25.244 5.187) 26.642 9.639 ( 4.174 -18.846 -4.517) 19.824 9.926 ( -1.216 -9.756 7.234) 12.206 10.169 ( 0.746 -16.202 6.345) 17.416 10.480 ( 7.593 -10.242 -0.761) 12.772 10.770 ( 2.883 -20.722 -5.886) 21.734 11.306 ( -2.479 -8.181 1.738) 8.724 11.581 ( -5.011 -12.237 3.974) 13.807 11.955 ( -3.871 5.914 -4.751) 8.517 12.615 ( -2.285 2.846 4.277) 5.622 13.322 ( -10.777 9.663 14.344) 20.378 13.826 ( 4.028 22.125 -0.788) 22.503 13.870 ( 7.542 1.506 1.686) 7.874 14.040 ( 5.615 16.261 -1.684) 17.286 14.776 ( -2.400 11.099 -6.125) 12.902 14.888 ( -0.148 -20.128 -3.518) 20.434 15.940 ( -5.178 2.894 -6.988) 9.167 18.163 ( 1.443 -30.559 -2.288) 30.679 19.376 ( 2.046 -6.609 7.720) 10.367 21.546 ( -3.406 -6.801 5.590) 9.440 22.902 ( 9.603 -6.036 -21.427) 24.244 23.627 ( 1.898 -15.994 0.239) 16.108 25.783 ( 1.368 7.429 -17.949) 19.474 27.804 ( 1.490 -2.920 17.241) 17.550 28.678 ( -11.178 9.188 10.341) 17.785 ======================= Grid point 481 (228/429) ======================= q-point: (-0.29 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.871 ( -22.235 -1.351 -2.687) 22.438 4.818 ( -18.593 -10.137 8.795) 22.931 4.923 ( -3.447 -16.083 1.246) 16.495 4.968 ( 4.712 1.341 -1.364) 5.085 5.544 ( 17.353 8.848 3.470) 19.785 5.674 ( 15.433 -8.773 -3.600) 18.114 6.311 ( -0.689 -5.666 -8.790) 10.481 6.752 ( -6.275 -0.975 6.456) 9.055 7.201 ( -6.618 0.620 -14.769) 16.196 7.977 ( 7.531 -1.026 9.391) 12.082 9.088 ( 10.720 -27.447 5.237) 29.928 9.154 ( -7.664 -29.863 9.696) 32.320 9.765 ( -8.090 -2.242 -8.507) 11.952 10.172 ( 4.618 -6.460 17.430) 19.154 10.497 ( -0.919 -17.142 -0.895) 17.190 10.688 ( 6.201 -8.787 0.624) 10.773 11.148 ( 1.947 -17.858 -8.174) 19.736 11.377 ( 1.719 0.923 -1.496) 2.459 11.726 ( 1.421 0.761 -1.652) 2.308 11.879 ( -11.230 -8.963 -3.801) 14.863 12.592 ( -4.522 -1.621 8.822) 10.045 13.163 ( -9.053 3.884 12.833) 16.178 13.334 ( 1.887 26.144 3.012) 26.384 13.707 ( 4.358 21.800 -5.013) 22.790 14.014 ( 8.935 -7.465 -0.331) 11.648 14.648 ( -1.135 1.786 -5.540) 5.930 15.285 ( -0.303 -21.554 -0.988) 21.579 15.931 ( -3.993 -4.403 -4.276) 7.322 18.686 ( 4.284 -23.654 -2.121) 24.132 19.481 ( 0.885 -2.904 4.408) 5.352 21.583 ( -3.552 1.379 5.497) 6.688 22.955 ( 7.229 0.130 -19.686) 20.972 23.931 ( 2.778 -13.500 0.974) 13.817 25.589 ( -1.753 9.563 -12.498) 15.834 27.891 ( 0.909 -2.215 16.163) 16.339 28.467 ( -9.301 8.540 7.954) 14.923 ======================= Grid point 482 (229/429) ======================= q-point: (-0.21 -0.64 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.804 ( -15.268 -3.812 1.543) 15.813 4.898 ( -1.719 -1.924 -4.723) 5.382 4.960 ( -10.669 -3.903 15.304) 19.059 5.098 ( -1.749 -2.062 -0.051) 2.704 5.532 ( 10.332 0.569 7.615) 12.848 5.913 ( 15.100 -6.698 -7.160) 18.004 6.388 ( 2.402 -3.237 -6.188) 7.385 6.782 ( -2.068 -3.309 4.502) 5.957 7.108 ( -8.950 1.554 -11.527) 14.676 8.063 ( 7.086 -1.616 8.792) 11.407 9.524 ( 7.330 -11.989 1.964) 14.189 9.654 ( -12.576 -17.941 -4.073) 22.285 9.736 ( 0.853 -5.686 6.377) 8.586 10.273 ( 1.568 -1.489 15.615) 15.764 10.682 ( -4.290 -4.391 0.101) 6.140 10.917 ( 2.749 -8.965 -0.259) 9.381 11.250 ( 4.993 8.286 -4.422) 10.637 11.443 ( 0.543 -10.368 -7.138) 12.599 11.685 ( 0.115 -1.080 -4.821) 4.942 12.065 ( -6.226 -12.876 -2.913) 14.596 12.665 ( -6.186 -7.289 10.195) 13.976 12.892 ( -3.536 17.583 3.320) 18.240 13.133 ( -1.225 2.305 12.441) 12.712 13.262 ( 2.174 24.825 -3.673) 25.189 14.240 ( 8.617 -10.277 -2.085) 13.573 14.616 ( -0.572 1.151 -4.526) 4.705 15.661 ( -0.182 -17.589 1.230) 17.633 15.981 ( -2.594 -2.074 -2.656) 4.252 19.098 ( 5.436 -17.299 -1.782) 18.220 19.528 ( -0.540 -1.714 1.241) 2.184 21.495 ( -3.317 6.197 5.565) 8.965 22.937 ( 6.191 1.656 -19.166) 20.209 24.159 ( 1.731 -8.925 2.087) 9.328 25.376 ( -1.949 9.001 -8.007) 12.204 27.956 ( -0.401 -0.920 15.377) 15.409 28.291 ( -7.103 5.670 6.261) 11.036 ======================= Grid point 483 (230/429) ======================= q-point: (-0.14 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.841 ( -6.991 -5.595 7.582) 11.732 4.823 ( -0.676 8.045 8.580) 11.781 5.010 ( 0.844 2.432 -0.390) 2.603 5.096 ( -5.750 -5.674 3.347) 8.744 5.603 ( 0.252 -0.824 7.293) 7.344 6.066 ( 11.947 -2.487 -5.949) 13.576 6.428 ( 2.560 -0.674 -8.691) 9.085 6.853 ( 2.015 -2.993 3.495) 5.023 7.002 ( -8.882 2.056 -7.257) 11.653 8.142 ( 5.334 -0.954 7.567) 9.307 9.472 ( -11.045 6.798 -11.954) 17.638 9.813 ( 4.977 3.275 3.428) 6.873 9.916 ( -1.309 -7.026 9.743) 12.083 10.373 ( 2.909 -3.912 15.422) 16.174 10.647 ( -7.456 5.128 -1.450) 9.164 10.888 ( -0.243 7.646 -1.220) 7.747 11.240 ( 6.736 -2.599 -4.532) 8.525 11.575 ( -2.500 -5.694 -1.915) 6.507 11.749 ( 1.923 -4.104 -6.723) 8.107 12.247 ( -2.012 -9.967 -3.273) 10.682 12.616 ( -0.246 7.615 4.123) 8.663 12.782 ( 3.069 23.832 -2.469) 24.155 12.864 ( -6.588 -12.248 9.101) 16.621 13.139 ( -3.092 0.016 10.090) 10.553 14.461 ( 7.995 -7.906 -2.678) 11.558 14.554 ( -1.315 4.319 -3.441) 5.677 15.914 ( 0.093 -3.587 0.719) 3.660 15.936 ( -2.029 0.776 0.266) 2.188 19.379 ( 2.977 -8.995 -0.579) 9.493 19.549 ( -2.397 -1.806 -1.743) 3.471 21.363 ( -1.373 6.631 5.511) 8.731 22.905 ( 6.137 1.497 -19.303) 20.310 24.288 ( -1.975 -3.929 2.640) 5.129 25.230 ( 2.590 4.435 -5.638) 7.627 27.939 ( -3.421 4.614 11.476) 12.833 28.248 ( -3.290 -3.590 9.581) 10.747 ======================= Grid point 484 (231/429) ======================= q-point: (-0.07 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.925 ( 1.184 -1.403 14.373) 14.490 4.636 ( 0.382 13.205 14.788) 19.829 4.969 ( 6.375 1.697 -3.274) 7.365 5.194 ( -5.859 -6.086 -1.085) 8.518 5.551 ( -7.192 5.139 2.208) 9.111 6.128 ( 10.611 1.736 -3.735) 11.383 6.400 ( -2.141 1.997 -11.603) 11.967 6.905 ( -6.563 0.855 -3.656) 7.561 6.922 ( 6.364 0.597 5.602) 8.500 8.180 ( 3.196 1.004 5.948) 6.827 9.174 ( -13.291 14.786 -13.321) 23.931 9.600 ( -0.417 18.498 5.943) 19.434 10.003 ( 4.429 1.787 8.974) 10.166 10.399 ( -7.421 13.556 -0.090) 15.455 10.440 ( -0.194 1.796 12.846) 12.973 10.794 ( 2.860 3.932 -6.365) 8.010 11.259 ( 4.741 5.035 -3.978) 7.978 11.616 ( -3.582 -0.894 -1.931) 4.166 11.781 ( -2.388 0.160 -2.075) 3.168 12.387 ( 3.165 17.428 3.307) 18.019 12.458 ( 1.639 -14.688 -3.432) 15.172 12.633 ( 3.552 -5.569 3.629) 7.536 12.984 ( -0.536 2.750 7.190) 7.717 13.235 ( -6.166 -14.343 4.331) 16.202 14.428 ( -3.306 6.228 -3.870) 8.043 14.622 ( 7.039 -5.320 -2.382) 9.139 15.716 ( -1.183 14.571 -1.531) 14.699 16.002 ( -0.225 1.066 3.963) 4.110 19.417 ( -5.175 3.458 -2.363) 6.657 19.576 ( -3.133 -1.450 0.039) 3.452 21.280 ( 3.122 3.227 5.078) 6.778 22.881 ( 6.913 1.258 -20.023) 21.221 24.276 ( -7.377 3.011 2.325) 8.300 25.240 ( 10.437 -2.503 -6.386) 12.489 27.826 ( -4.035 6.068 8.406) 11.125 28.389 ( -2.315 -9.713 14.215) 17.371 ======================= Grid point 491 (232/429) ======================= q-point: (-0.57 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -2.646 -0.000 19.203) 19.385 3.496 ( 4.054 0.000 -4.009) 5.702 3.853 ( -30.746 -0.000 9.620) 32.216 4.088 ( 0.770 0.000 14.450) 14.470 5.704 ( 3.314 0.000 -9.597) 10.153 5.908 ( 9.119 0.000 -15.222) 17.745 5.916 ( 0.199 0.000 3.832) 3.837 6.616 ( 28.928 0.000 19.476) 34.874 7.246 ( -1.058 -0.000 -14.072) 14.112 7.668 ( -0.936 -0.000 -1.696) 1.937 7.722 ( -8.478 -0.000 -18.037) 19.930 7.844 ( 2.121 0.000 -2.449) 3.240 8.831 ( 0.829 0.000 10.464) 10.497 8.996 ( 0.762 0.000 8.312) 8.346 9.204 ( 6.494 0.000 -14.244) 15.654 9.635 ( -10.666 -0.000 6.542) 12.513 10.238 ( -0.769 -0.000 -0.317) 0.832 10.300 ( 5.201 0.000 1.393) 5.385 10.913 ( -11.476 -0.000 14.459) 18.460 12.344 ( -16.517 -0.000 3.328) 16.849 12.758 ( 5.599 0.000 -15.276) 16.269 13.832 ( -0.074 -0.000 0.028) 0.079 13.997 ( -0.011 -0.000 18.774) 18.774 14.412 ( 2.127 0.000 0.707) 2.241 14.776 ( 0.323 0.000 -1.745) 1.775 14.870 ( -4.555 -0.000 16.047) 16.681 15.668 ( 4.387 0.000 -1.894) 4.779 16.783 ( -0.369 -0.000 1.128) 1.187 17.335 ( -6.937 -0.000 7.612) 10.299 18.608 ( 27.199 0.000 -28.859) 39.656 20.136 ( -0.593 -0.000 2.093) 2.176 21.179 ( 0.561 0.000 -1.569) 1.666 23.262 ( 1.364 0.000 -8.627) 8.735 25.992 ( 12.203 0.000 -30.248) 32.617 27.587 ( -0.895 -0.000 19.064) 19.085 29.305 ( -19.380 -0.000 13.611) 23.682 ======================= Grid point 492 (233/429) ======================= q-point: (-0.50 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( -10.274 -30.185 15.881) 35.621 3.609 ( -2.523 -10.708 3.181) 11.452 3.778 ( -24.835 -10.571 -1.937) 27.060 4.258 ( 4.318 -11.892 17.412) 21.523 5.509 ( -5.715 9.684 0.871) 11.278 5.904 ( 12.377 2.331 -27.432) 30.185 6.132 ( -3.846 -11.362 5.127) 13.045 6.759 ( 19.347 2.730 11.838) 22.846 7.246 ( -1.595 -3.222 -7.181) 8.030 7.512 ( -5.172 5.633 -17.743) 19.321 7.748 ( -1.668 0.245 -1.609) 2.331 7.903 ( 0.049 -8.742 1.219) 8.826 8.708 ( 5.199 5.272 2.604) 7.849 9.253 ( 5.307 -12.604 6.219) 15.024 9.346 ( 3.393 -14.347 -6.417) 16.079 9.659 ( -6.487 -6.042 7.429) 11.567 10.180 ( 3.268 0.167 0.004) 3.272 10.524 ( -0.019 -15.375 3.003) 15.666 10.940 ( -5.969 -5.042 11.759) 14.118 12.252 ( -11.879 1.286 2.117) 12.135 12.764 ( 4.555 0.118 -12.011) 12.847 13.812 ( -3.342 3.788 2.140) 5.486 13.965 ( 0.100 3.947 18.879) 19.287 14.317 ( 4.448 7.771 -1.320) 9.051 14.564 ( 3.442 8.210 7.238) 11.474 15.150 ( -7.446 -2.700 -2.825) 8.409 15.711 ( 5.911 -5.839 6.778) 10.722 16.563 ( 0.224 12.270 -7.250) 14.253 17.221 ( -16.104 16.688 -0.773) 23.204 18.620 ( 27.342 -2.201 -10.621) 29.415 20.467 ( -6.377 -26.493 4.250) 27.579 21.454 ( 6.879 -26.999 -9.135) 29.321 23.261 ( 2.064 -0.596 -8.210) 8.487 25.992 ( 9.085 0.686 -29.792) 31.154 27.629 ( -0.243 -0.907 20.265) 20.287 29.179 ( -17.027 4.418 13.542) 22.200 ======================= Grid point 493 (234/429) ======================= q-point: (-0.43 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( -21.130 -29.142 7.438) 36.757 3.740 ( -31.635 -15.575 3.207) 35.407 4.092 ( 14.626 -20.799 6.623) 26.275 4.602 ( 4.622 -17.967 7.351) 19.956 5.336 ( -5.309 5.362 1.603) 7.714 5.883 ( 5.448 -1.706 -30.361) 30.893 6.186 ( -0.197 5.353 5.549) 7.713 6.812 ( 1.312 -0.180 2.786) 3.084 7.274 ( -1.360 0.651 -8.120) 8.258 7.458 ( 0.097 -7.619 -3.798) 8.514 7.781 ( -1.864 -7.218 3.591) 8.275 8.080 ( -1.910 -8.036 5.605) 9.982 8.815 ( 9.397 -12.875 -4.109) 16.461 9.532 ( 9.664 -12.630 0.461) 15.910 9.657 ( 0.182 -13.620 4.868) 14.465 9.826 ( -3.001 -15.514 2.156) 15.948 10.288 ( 7.554 -7.255 2.167) 10.696 10.842 ( -0.918 -16.824 1.733) 16.938 11.063 ( -6.618 -9.720 10.075) 15.485 12.169 ( -3.927 2.885 0.105) 4.874 12.743 ( 0.818 2.392 -6.181) 6.678 13.664 ( -5.470 7.932 6.790) 11.788 13.976 ( 0.517 0.758 17.576) 17.600 14.228 ( 4.317 5.192 -0.458) 6.768 14.466 ( 3.323 4.351 0.623) 5.510 14.902 ( -2.163 18.516 -5.986) 19.579 15.605 ( 3.422 24.361 0.001) 24.601 16.467 ( -14.562 13.987 -11.508) 23.241 16.912 ( 2.276 -17.902 -4.408) 18.577 18.948 ( 14.055 -14.548 6.996) 21.404 20.924 ( -7.676 -24.618 6.111) 26.502 22.101 ( 12.077 -33.923 -17.540) 40.053 23.285 ( 2.407 -2.400 -6.283) 7.143 25.955 ( 4.904 2.094 -27.619) 28.129 27.698 ( 0.917 -2.185 20.563) 20.699 29.000 ( -14.497 7.219 13.167) 20.873 ======================= Grid point 494 (235/429) ======================= q-point: (-0.36 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.678 ( -28.394 -12.302 1.740) 30.993 3.977 ( -23.933 -25.693 3.412) 35.279 4.520 ( 5.404 -13.295 12.113) 18.780 4.931 ( 5.801 -9.145 -1.585) 10.945 5.306 ( 10.562 -4.166 -4.744) 12.305 5.938 ( -9.015 -6.680 -22.148) 24.828 6.045 ( 12.638 8.587 5.092) 16.106 6.779 ( -7.850 1.383 2.418) 8.330 7.222 ( -1.602 1.035 -12.921) 13.061 7.733 ( -0.795 -18.272 10.746) 21.212 8.004 ( -0.198 -14.557 0.276) 14.561 8.259 ( -1.608 -14.622 7.155) 16.358 9.233 ( 7.295 -24.063 -4.660) 25.573 9.778 ( 2.680 -7.882 4.863) 9.642 9.921 ( 6.255 -13.914 7.333) 16.927 10.197 ( 1.992 -21.592 -5.502) 22.371 10.516 ( 9.327 -10.264 4.633) 14.622 11.096 ( -4.221 -11.187 1.701) 12.077 11.280 ( -6.900 -15.426 5.234) 17.691 12.086 ( 4.046 6.443 -2.480) 8.002 12.661 ( -5.094 3.818 0.271) 6.371 13.465 ( -11.457 10.366 11.062) 19.003 13.976 ( 6.399 3.505 11.347) 13.490 14.136 ( 4.837 7.998 0.885) 9.389 14.407 ( -3.818 13.996 -0.570) 14.519 14.612 ( 5.721 -1.825 -8.653) 10.533 15.103 ( 0.478 24.964 -4.854) 25.436 16.030 ( -10.935 13.669 -11.399) 20.889 17.540 ( 4.631 -36.067 -2.549) 36.452 19.262 ( 7.033 -9.885 9.766) 15.575 21.299 ( -6.387 -17.431 5.692) 19.417 22.681 ( 12.450 -21.246 -22.073) 33.069 23.389 ( 2.913 -9.176 -1.933) 9.819 25.861 ( 0.274 4.456 -23.386) 23.808 27.794 ( 1.834 -2.849 19.581) 19.872 28.795 ( -12.667 8.455 12.083) 19.441 ======================= Grid point 495 (236/429) ======================= q-point: (-0.29 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( -25.089 -5.253 1.822) 25.697 4.333 ( -24.560 -24.532 5.882) 35.208 4.727 ( -0.858 -7.800 6.306) 10.067 5.013 ( 7.021 0.067 -5.448) 8.887 5.565 ( 19.095 -10.810 -6.864) 22.991 5.814 ( 0.468 8.077 0.138) 8.092 6.166 ( 8.810 -7.269 -7.472) 13.648 6.720 ( -7.346 -0.002 4.931) 8.848 7.158 ( -5.437 1.254 -11.541) 12.819 7.990 ( 3.877 -4.573 8.815) 10.660 8.425 ( -10.471 -34.425 1.779) 36.026 8.680 ( 5.546 -25.174 6.368) 26.553 9.618 ( -2.358 -11.427 -4.189) 12.397 10.015 ( 8.161 -15.967 7.622) 19.485 10.216 ( 3.178 -11.296 9.137) 14.872 10.556 ( 6.187 -12.878 -3.155) 14.632 10.804 ( 5.793 -16.029 -2.646) 17.248 11.270 ( -4.438 -10.268 2.585) 11.481 11.533 ( -4.183 -13.780 0.076) 14.401 11.933 ( 2.767 11.314 -5.013) 12.680 12.574 ( -7.933 1.259 4.771) 9.343 13.222 ( -14.211 8.012 13.118) 20.934 13.855 ( 2.373 24.751 1.505) 24.910 14.003 ( 11.775 1.211 1.429) 11.923 14.082 ( 2.091 14.803 -1.071) 14.988 14.734 ( -0.747 9.777 -4.133) 10.640 14.885 ( 1.933 -18.173 -5.278) 19.022 15.831 ( -8.443 -0.011 -7.461) 11.268 18.206 ( 7.219 -30.520 -2.741) 31.482 19.441 ( 4.187 -4.254 7.521) 9.602 21.510 ( -6.158 -7.649 5.617) 11.313 22.930 ( 9.248 -4.669 -22.186) 24.486 23.669 ( 4.997 -16.168 0.259) 16.924 25.702 ( -3.635 7.012 -17.715) 19.396 27.890 ( 1.798 -2.265 17.944) 18.175 28.584 ( -11.301 8.556 10.195) 17.460 ======================= Grid point 496 (237/429) ======================= q-point: (-0.21 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.638 ( -17.629 -4.436 4.157) 18.648 4.606 ( -20.480 -17.111 8.382) 27.973 4.872 ( -3.096 -7.935 -6.977) 11.010 5.047 ( 5.120 -0.400 6.194) 8.046 5.698 ( 6.037 6.355 1.993) 8.989 5.841 ( 15.711 -8.610 -7.818) 19.547 6.314 ( 6.930 -4.878 -7.382) 11.239 6.730 ( -0.952 -2.507 6.147) 6.707 7.072 ( -7.672 1.638 -7.933) 11.157 8.080 ( 4.421 -1.886 7.409) 8.831 9.032 ( -16.743 -34.886 0.120) 38.696 9.234 ( 12.079 -25.167 3.042) 28.080 9.683 ( -3.145 -1.129 1.438) 3.638 10.312 ( 6.499 -1.970 18.767) 19.958 10.469 ( -2.230 -16.412 -3.347) 16.898 10.766 ( 6.246 -7.899 1.087) 10.129 11.140 ( 2.032 -16.330 -9.084) 18.797 11.403 ( 3.700 -1.404 0.239) 3.965 11.719 ( -2.994 7.757 -4.911) 9.657 11.764 ( -3.808 -14.032 -2.280) 14.717 12.546 ( -8.531 -2.442 7.666) 11.727 13.064 ( -12.858 4.193 8.239) 15.836 13.394 ( 3.373 22.921 7.532) 24.362 13.726 ( 1.590 22.613 -3.434) 22.928 14.127 ( 10.494 -6.213 -1.970) 12.353 14.631 ( 1.349 2.001 -3.762) 4.469 15.280 ( 0.323 -21.816 -1.470) 21.868 15.859 ( -5.319 -6.700 -4.092) 9.483 18.755 ( 8.797 -23.253 -2.736) 25.011 19.516 ( 2.254 -0.834 4.331) 4.954 21.547 ( -6.126 0.519 5.720) 8.397 22.963 ( 7.092 0.691 -20.445) 21.651 23.981 ( 5.205 -12.643 0.987) 13.708 25.500 ( -5.571 8.158 -11.941) 15.498 27.966 ( 1.149 -1.402 16.774) 16.871 28.383 ( -9.904 7.746 7.674) 14.731 ======================= Grid point 497 (238/429) ======================= q-point: (-0.14 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.683 ( -8.037 -7.395 7.523) 13.262 4.795 ( -12.695 -12.552 3.322) 18.159 4.919 ( -3.396 0.002 0.411) 3.421 5.093 ( -0.238 -0.281 5.081) 5.094 5.655 ( 5.400 2.784 5.373) 8.110 6.033 ( 9.526 -5.305 -7.173) 13.051 6.406 ( 5.309 -2.873 -11.648) 13.119 6.811 ( 4.264 -3.296 5.155) 7.458 6.987 ( -5.958 1.734 -2.178) 6.577 8.150 ( 2.635 -1.881 6.037) 6.850 9.404 ( -17.352 -10.090 -12.827) 23.821 9.663 ( 10.737 -14.701 7.509) 19.692 9.792 ( 0.541 -10.649 8.148) 13.420 10.358 ( 1.674 -0.303 14.513) 14.612 10.636 ( -2.890 -2.951 -0.719) 4.192 10.943 ( 1.136 -4.833 2.813) 5.706 11.290 ( 4.272 4.052 -6.026) 8.425 11.424 ( 1.823 -7.073 -8.066) 10.882 11.667 ( -0.054 -3.205 -3.491) 4.739 12.007 ( -1.913 -13.205 -2.299) 13.539 12.609 ( -9.151 -8.488 8.439) 15.067 12.840 ( -6.242 12.937 2.565) 14.591 13.177 ( -0.140 5.396 12.659) 13.762 13.270 ( 1.376 24.444 -2.651) 24.626 14.335 ( 8.888 -9.336 -3.967) 13.487 14.601 ( 0.204 1.901 -2.133) 2.864 15.664 ( 0.192 -17.871 0.646) 17.884 15.939 ( -2.876 -3.263 -2.118) 4.838 19.172 ( 8.324 -15.926 -2.339) 18.121 19.528 ( -0.345 0.504 1.305) 1.440 21.467 ( -5.093 4.768 5.693) 9.004 22.937 ( 6.368 1.816 -19.573) 20.663 24.195 ( 3.141 -6.964 2.199) 7.950 25.312 ( -4.013 5.921 -7.564) 10.411 28.012 ( -0.231 1.112 16.419) 16.459 28.226 ( -7.560 3.294 5.391) 9.852 ======================= Grid point 498 (239/429) ======================= q-point: (-0.07 -0.57 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.843 ( 1.111 -9.098 11.684) 14.850 4.847 ( -0.215 6.357 6.185) 8.872 4.949 ( -9.448 -9.064 -0.360) 13.098 5.069 ( -0.964 1.698 1.201) 2.292 5.630 ( -0.721 4.029 6.371) 7.572 6.131 ( 1.678 -2.868 -3.486) 4.816 6.429 ( 4.810 1.055 -15.997) 16.738 6.876 ( -1.748 -0.385 1.282) 2.201 6.965 ( 6.349 -0.535 5.130) 8.180 8.195 ( -0.447 -1.048 3.393) 3.580 9.292 ( -11.168 7.092 -8.760) 15.867 9.843 ( -2.040 6.596 3.440) 7.714 9.988 ( 7.212 -9.409 9.490) 15.186 10.427 ( -4.660 -2.267 7.326) 8.974 10.596 ( 0.571 5.398 4.318) 6.936 10.895 ( 2.463 6.640 -2.025) 7.366 11.282 ( 2.273 -1.573 -3.461) 4.430 11.541 ( -0.935 -4.715 -3.124) 5.733 11.741 ( 0.947 -3.253 -6.203) 7.068 12.223 ( -0.205 -11.229 -2.098) 11.426 12.633 ( 0.099 5.934 4.269) 7.311 12.791 ( -6.873 1.515 8.675) 11.171 12.831 ( 2.923 5.265 -3.213) 6.826 13.144 ( -2.950 2.224 9.855) 10.525 14.498 ( -0.068 0.486 -6.330) 6.349 14.566 ( 4.913 -2.498 0.747) 5.562 15.902 ( -1.588 5.817 -1.322) 6.173 15.929 ( -0.195 -9.231 2.039) 9.456 19.413 ( 2.754 -3.759 -0.643) 4.704 19.513 ( -2.155 -1.735 -1.735) 3.266 21.366 ( -1.630 4.021 5.444) 6.962 22.907 ( 6.602 1.345 -19.112) 20.265 24.277 ( -1.553 -0.459 2.874) 3.299 25.236 ( 2.090 -0.445 -5.860) 6.237 27.942 ( -3.503 6.577 11.415) 13.632 28.246 ( -3.199 -6.146 9.640) 11.871 ======================= Grid point 506 (240/429) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -12.818 -0.000 18.052) 22.140 3.434 ( -39.815 -0.000 7.231) 40.466 3.544 ( 5.985 0.000 -3.078) 6.730 4.208 ( 3.369 0.000 18.798) 19.098 5.585 ( -20.658 -0.000 5.971) 21.503 5.950 ( 3.036 0.000 4.230) 5.207 5.956 ( 10.849 0.000 -26.584) 28.712 6.965 ( 20.211 0.000 11.037) 23.028 7.164 ( -4.193 -0.000 -12.838) 13.506 7.519 ( -12.812 -0.000 -23.579) 26.835 7.654 ( -0.039 -0.000 -2.792) 2.792 7.863 ( 2.877 0.000 -2.890) 4.078 8.888 ( 0.264 0.000 12.734) 12.737 9.043 ( 1.871 0.000 8.430) 8.635 9.276 ( 16.192 0.000 -13.246) 20.919 9.600 ( -1.202 -0.000 10.225) 10.296 10.225 ( -1.295 -0.000 -0.488) 1.383 10.327 ( -2.554 -0.000 9.435) 9.775 10.907 ( 1.833 0.000 6.979) 7.216 12.206 ( -8.144 -0.000 1.662) 8.312 12.769 ( 4.838 0.000 -11.045) 12.058 13.819 ( -1.648 -0.000 -1.675) 2.350 14.071 ( -0.162 -0.000 21.085) 21.086 14.437 ( 1.873 0.000 -0.148) 1.879 14.775 ( 0.611 0.000 -1.736) 1.840 14.861 ( -6.806 -0.000 13.518) 15.135 15.728 ( 6.651 0.000 -1.250) 6.768 16.783 ( -0.329 -0.000 1.126) 1.173 17.219 ( -15.275 -0.000 1.863) 15.388 18.808 ( 23.974 0.000 -25.601) 35.074 20.137 ( -0.636 -0.000 2.100) 2.195 21.180 ( 0.559 0.000 -1.565) 1.662 23.255 ( 2.919 0.000 -8.834) 9.304 25.986 ( 6.243 0.000 -31.190) 31.809 27.657 ( -0.266 -0.000 21.564) 21.566 29.152 ( -15.320 -0.000 13.965) 20.730 ======================= Grid point 507 (241/429) ======================= q-point: (-0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -18.957 -26.166 14.538) 35.432 3.303 ( -36.975 -9.415 9.858) 39.408 3.768 ( 7.166 -18.553 -1.505) 19.946 4.357 ( 2.094 -10.763 14.707) 18.345 5.380 ( -19.650 5.324 8.389) 22.020 5.911 ( 7.479 4.392 -29.992) 31.221 6.112 ( -2.949 -9.556 7.223) 12.336 6.947 ( 8.926 8.939 -0.461) 12.640 7.197 ( -2.795 -5.255 -2.499) 6.456 7.361 ( -7.186 1.303 -25.382) 26.412 7.719 ( -1.545 -2.247 -3.261) 4.251 7.917 ( 0.351 -7.137 5.530) 9.036 8.781 ( 5.258 3.887 2.344) 6.946 9.333 ( -0.921 -18.592 10.848) 21.545 9.429 ( 19.953 -6.472 -9.332) 22.959 9.663 ( 0.962 -4.490 8.494) 9.655 10.222 ( 3.257 -3.256 4.187) 6.224 10.511 ( -4.162 -15.096 7.746) 17.471 10.959 ( 2.057 -2.703 4.286) 5.469 12.175 ( -2.258 0.061 0.500) 2.314 12.773 ( 3.753 0.938 -7.986) 8.874 13.776 ( -3.635 3.928 1.198) 5.485 14.033 ( -0.878 5.035 19.155) 19.825 14.357 ( 2.714 5.907 0.378) 6.512 14.619 ( 1.057 7.594 6.713) 10.191 15.048 ( -7.372 -2.603 -4.337) 8.941 15.814 ( 7.209 -5.852 6.335) 11.241 16.532 ( -0.859 17.109 -7.636) 18.756 17.012 ( -17.714 14.688 -4.431) 23.434 18.873 ( 22.461 -3.187 -9.188) 24.476 20.410 ( -6.020 -23.758 4.402) 24.901 21.499 ( 6.791 -29.989 -9.640) 32.224 23.263 ( 3.466 -0.697 -8.328) 9.047 25.946 ( 2.199 0.718 -31.065) 31.151 27.710 ( 0.315 -1.228 22.049) 22.085 29.055 ( -12.813 4.274 14.565) 19.864 ======================= Grid point 508 (242/429) ======================= q-point: (-0.36 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( -25.921 -24.144 11.186) 37.148 3.385 ( -32.040 -19.170 6.283) 37.862 4.242 ( 6.707 -23.034 5.356) 24.582 4.676 ( 3.322 -17.925 6.913) 19.496 5.264 ( -10.017 -1.976 5.663) 11.676 5.803 ( 0.950 2.343 -28.882) 28.992 6.200 ( -1.831 -0.265 8.176) 8.383 6.818 ( 0.947 7.031 -4.289) 8.290 7.214 ( -2.334 0.733 -15.440) 15.633 7.406 ( -5.426 -12.881 -2.606) 14.218 7.771 ( -1.802 -7.930 1.021) 8.197 8.092 ( -1.185 -8.225 10.436) 13.340 8.902 ( 8.579 -12.722 -6.111) 16.517 9.659 ( 7.861 -10.485 -5.369) 14.162 9.719 ( 8.483 -14.936 13.698) 21.970 9.832 ( 3.741 -13.112 -0.698) 13.653 10.403 ( 9.111 -9.518 9.079) 16.000 10.811 ( -4.791 -16.750 3.667) 17.803 11.043 ( -2.300 -6.101 3.178) 7.254 12.180 ( 5.023 0.517 -0.722) 5.101 12.720 ( -1.003 4.954 -3.554) 6.179 13.626 ( -5.684 9.695 7.988) 13.788 14.018 ( -3.871 -1.300 14.455) 15.020 14.284 ( 4.774 4.922 3.590) 7.740 14.481 ( -2.061 6.908 1.008) 7.280 14.861 ( 0.856 14.107 -9.074) 16.796 15.640 ( 1.873 28.158 0.450) 28.223 16.251 ( -14.693 17.265 -12.492) 25.885 16.927 ( 3.733 -25.891 -4.919) 26.617 19.139 ( 14.008 -10.580 7.055) 18.919 20.856 ( -7.281 -25.101 5.114) 26.631 22.178 ( 12.850 -34.375 -18.494) 41.095 23.299 ( 3.873 -2.786 -6.110) 7.752 25.866 ( -2.305 1.899 -28.650) 28.805 27.791 ( 1.179 -2.484 21.116) 21.294 28.900 ( -11.175 7.497 14.808) 20.009 ======================= Grid point 509 (243/429) ======================= q-point: (-0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( -27.994 -12.153 9.284) 31.899 3.692 ( -26.590 -27.939 5.867) 39.013 4.588 ( 0.440 -9.617 7.091) 11.957 4.981 ( 3.236 -8.629 -0.785) 9.249 5.412 ( 7.304 -13.497 -0.685) 15.362 5.757 ( -6.931 -3.597 -20.625) 22.053 6.231 ( 14.957 0.187 7.869) 16.902 6.688 ( -7.060 3.052 -3.069) 8.281 7.139 ( -5.515 1.936 -10.468) 11.989 7.690 ( -9.485 -22.076 3.038) 24.219 7.988 ( -1.253 -11.707 -1.380) 11.855 8.314 ( 3.936 -16.272 9.911) 19.455 9.271 ( 3.595 -20.966 -7.092) 22.423 9.850 ( 6.061 -7.868 2.429) 10.224 10.060 ( 10.565 -12.591 11.921) 20.304 10.203 ( 3.822 -22.093 -7.722) 23.714 10.668 ( 11.702 -8.442 10.677) 17.950 11.028 ( -7.678 -10.782 1.073) 13.280 11.233 ( -3.020 -14.856 0.627) 15.173 12.172 ( 11.100 7.209 -2.278) 13.430 12.569 ( -10.531 5.508 0.631) 11.901 13.371 ( -12.457 13.037 13.521) 22.538 14.054 ( 1.930 0.128 5.241) 5.587 14.225 ( 7.196 7.091 6.908) 12.239 14.336 ( -6.715 9.873 -1.501) 12.034 14.656 ( 7.471 1.798 -9.538) 12.248 15.098 ( 1.119 25.712 -4.059) 26.055 15.840 ( -13.882 10.410 -11.319) 20.717 17.612 ( 9.263 -36.483 -3.473) 37.800 19.391 ( 8.600 -6.778 9.666) 14.606 21.238 ( -7.255 -17.862 5.159) 19.958 22.744 ( 13.128 -19.011 -24.067) 33.362 23.431 ( 5.474 -10.663 -1.230) 12.049 25.738 ( -6.289 3.786 -23.699) 24.810 27.888 ( 1.448 -2.744 18.814) 19.068 28.706 ( -10.573 9.003 14.273) 19.914 ======================= Grid point 510 (244/429) ======================= q-point: (-0.21 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( -21.803 -8.323 9.238) 25.099 4.081 ( -22.688 -26.066 9.018) 35.714 4.713 ( -2.441 -5.714 -1.479) 6.388 5.083 ( 6.535 -1.286 -0.934) 6.726 5.705 ( -2.131 -9.140 2.732) 9.775 5.757 ( 6.522 -4.663 -14.891) 16.912 6.346 ( 19.056 2.311 -2.661) 19.379 6.669 ( -2.486 -5.082 4.483) 7.218 7.048 ( -7.369 1.767 -5.755) 9.516 8.052 ( 1.337 -7.705 8.782) 11.759 8.234 ( -18.623 -31.893 -6.074) 37.428 8.803 ( 9.571 -27.022 5.797) 29.247 9.583 ( -1.182 -10.461 -2.634) 10.852 10.109 ( 4.576 -16.405 -0.119) 17.032 10.333 ( 7.976 -6.493 16.850) 19.740 10.599 ( 4.721 -16.454 -6.856) 18.440 10.872 ( 5.247 -9.096 -0.870) 10.537 11.245 ( -1.202 -14.274 6.621) 15.781 11.492 ( -1.287 -13.371 -3.797) 13.959 11.963 ( 4.409 17.620 -3.890) 18.575 12.469 ( -12.239 -1.367 3.617) 12.835 13.106 ( -13.206 8.255 11.980) 19.648 13.882 ( 0.135 22.904 2.385) 23.028 14.085 ( -0.786 14.369 0.447) 14.398 14.141 ( 10.946 2.169 0.361) 11.164 14.737 ( 3.371 8.642 -2.468) 9.599 14.887 ( 2.029 -16.744 -5.957) 17.888 15.694 ( -10.011 -3.698 -6.725) 12.614 18.304 ( 11.458 -30.394 -3.646) 32.686 19.528 ( 5.747 -1.807 7.274) 9.445 21.448 ( -7.920 -8.052 5.648) 12.627 22.951 ( 9.003 -3.348 -23.631) 25.509 23.748 ( 8.482 -16.018 0.255) 18.127 25.563 ( -8.886 5.689 -17.221) 20.196 27.973 ( 0.898 -1.982 16.305) 16.450 28.499 ( -10.143 9.026 12.699) 18.591 ======================= Grid point 511 (245/429) ======================= q-point: (-0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( -11.037 -8.673 11.023) 17.848 4.417 ( -17.465 -19.809 9.742) 28.149 4.801 ( -4.121 -6.530 -8.410) 11.417 5.129 ( 4.767 0.611 6.718) 8.260 5.715 ( -1.857 -0.037 -1.374) 2.310 5.966 ( 9.906 -7.009 -5.201) 13.202 6.363 ( 4.325 -0.379 -13.044) 13.748 6.806 ( 10.496 -3.414 7.087) 13.117 6.981 ( -4.167 0.671 -0.159) 4.224 8.131 ( -0.130 -1.952 4.589) 4.989 8.799 ( -19.079 -35.157 -5.028) 40.315 9.385 ( 11.060 -25.646 2.138) 28.011 9.689 ( 1.262 -2.775 6.060) 6.783 10.391 ( -4.770 -5.311 2.733) 7.644 10.477 ( 5.485 -7.861 10.462) 14.189 10.841 ( 6.018 -8.123 1.748) 10.259 11.121 ( 0.791 -14.304 -10.734) 17.901 11.475 ( 7.957 -1.727 2.028) 8.391 11.638 ( -5.037 2.499 -5.046) 7.555 11.755 ( 0.834 -8.376 -1.012) 8.478 12.457 ( -10.725 -3.522 5.683) 12.638 12.946 ( -11.335 4.328 5.843) 13.467 13.450 ( 0.542 20.707 8.562) 22.414 13.720 ( -0.919 22.216 -1.102) 22.263 14.235 ( 9.837 -5.269 -4.811) 12.152 14.647 ( 2.652 3.327 -1.151) 4.408 15.282 ( 1.100 -22.018 -1.998) 22.136 15.784 ( -4.969 -9.359 -2.898) 10.986 18.865 ( 11.781 -22.446 -3.512) 25.592 19.565 ( 3.340 1.613 4.124) 5.547 21.485 ( -8.155 -0.342 5.882) 10.061 22.967 ( 6.984 1.006 -21.538) 22.665 24.062 ( 8.147 -11.157 0.927) 13.846 25.369 ( -9.223 5.819 -10.995) 15.486 28.038 ( 0.383 -1.490 15.039) 15.117 28.300 ( -9.403 8.052 9.925) 15.867 ======================= Grid point 512 (246/429) ======================= q-point: (-0.07 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( -0.054 -11.132 12.792) 16.957 4.659 ( -12.678 -13.918 4.523) 19.363 4.863 ( -4.632 -3.642 -4.639) 7.499 5.130 ( 1.858 3.037 8.633) 9.338 5.699 ( -0.065 1.756 3.031) 3.504 6.080 ( 1.855 -2.375 -3.897) 4.926 6.390 ( 1.573 -3.363 -17.764) 18.148 6.888 ( 3.068 0.359 4.406) 5.381 7.006 ( 10.034 -1.153 5.008) 11.274 8.159 ( -4.030 -1.644 1.241) 4.526 9.181 ( -12.767 -13.937 -7.159) 20.211 9.805 ( -1.233 -7.509 11.526) 13.811 9.835 ( 11.764 -13.817 1.565) 18.214 10.379 ( -6.092 0.219 7.288) 9.501 10.632 ( 2.247 -2.933 2.509) 4.465 10.967 ( 0.588 -1.125 3.939) 4.138 11.283 ( -0.572 -1.885 -8.852) 9.069 11.441 ( 5.962 -2.330 -7.871) 10.146 11.669 ( 1.882 -3.419 0.342) 3.918 11.999 ( 1.560 -12.920 -1.851) 13.145 12.522 ( -9.949 -9.616 6.202) 15.163 12.778 ( -5.784 8.353 2.826) 10.545 13.209 ( -2.548 7.861 11.477) 14.142 13.277 ( 1.179 22.758 -1.032) 22.812 14.409 ( 6.946 -7.790 -6.264) 12.172 14.600 ( -0.209 2.656 0.527) 2.716 15.672 ( 0.927 -17.862 -0.123) 17.886 15.903 ( -1.934 -4.262 -0.868) 4.760 19.270 ( 9.789 -14.097 -2.963) 17.416 19.531 ( 0.089 3.462 1.339) 3.713 21.420 ( -6.557 2.786 5.732) 9.144 22.938 ( 6.467 1.668 -20.071) 21.153 24.250 ( 4.887 -4.102 2.197) 6.748 25.227 ( -5.723 1.841 -6.854) 9.117 28.071 ( -0.846 4.711 17.235) 17.887 28.158 ( -7.148 -0.708 4.823) 8.652 ======================= Grid point 521 (247/429) ======================= q-point: (-0.43 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -20.330 -0.000 17.540) 26.850 3.014 ( -38.760 -0.000 16.319) 42.055 3.602 ( 5.165 0.000 -2.168) 5.601 4.283 ( -1.971 -0.000 14.948) 15.077 5.290 ( -35.140 -0.000 14.903) 38.170 5.951 ( 6.188 0.000 -28.632) 29.293 6.018 ( 5.848 0.000 4.385) 7.310 7.057 ( -6.189 -0.000 -11.091) 12.701 7.160 ( 0.886 0.000 9.786) 9.826 7.261 ( -6.572 -0.000 -32.943) 33.592 7.646 ( 0.665 0.000 -3.733) 3.791 7.888 ( 3.162 0.000 -3.064) 4.403 8.916 ( -2.776 -0.000 10.416) 10.780 9.100 ( 2.406 0.000 7.621) 7.992 9.501 ( 28.922 0.000 -9.157) 30.337 9.651 ( 2.019 0.000 8.302) 8.544 10.205 ( -1.687 -0.000 -0.393) 1.732 10.363 ( 1.697 0.000 18.543) 18.621 10.962 ( 3.605 0.000 0.800) 3.693 12.164 ( -0.244 -0.000 -0.536) 0.589 12.799 ( 6.634 0.000 -6.587) 9.349 13.785 ( -2.649 -0.000 -2.400) 3.574 14.152 ( 0.142 0.000 22.282) 22.283 14.453 ( 1.187 0.000 -0.427) 1.261 14.778 ( 0.894 0.000 -1.748) 1.963 14.807 ( -10.445 -0.000 10.657) 14.922 15.810 ( 7.886 0.000 -0.864) 7.933 16.784 ( -0.298 -0.000 1.130) 1.168 17.006 ( -20.481 -0.000 -2.526) 20.636 18.970 ( 19.578 0.000 -23.911) 30.904 20.137 ( -0.682 -0.000 2.092) 2.200 21.181 ( 0.549 0.000 -1.568) 1.661 23.262 ( 3.997 0.000 -8.907) 9.763 25.892 ( -2.238 -0.000 -33.098) 33.174 27.740 ( -0.062 -0.000 22.490) 22.490 29.062 ( -9.180 -0.000 16.517) 18.897 ======================= Grid point 522 (248/429) ======================= q-point: (-0.36 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -23.746 -23.457 15.489) 36.797 2.927 ( -35.746 -10.347 18.380) 41.505 3.824 ( 2.321 -19.895 -0.733) 20.044 4.412 ( -1.834 -12.643 11.921) 17.473 5.120 ( -31.310 -2.013 16.191) 35.306 5.862 ( 3.488 5.913 -28.697) 29.506 6.122 ( 0.206 -4.813 5.718) 7.477 6.969 ( -1.392 5.109 -7.572) 9.240 7.107 ( -12.715 -4.282 -18.228) 22.634 7.232 ( 3.773 -1.027 -8.867) 9.691 7.691 ( -1.094 -1.946 -3.490) 4.143 7.947 ( 1.110 -6.403 5.017) 8.210 8.842 ( 4.126 1.554 0.611) 4.451 9.351 ( -0.755 -17.307 6.253) 18.418 9.688 ( 17.984 -2.378 1.000) 18.168 9.716 ( 11.294 -5.388 -1.044) 12.557 10.292 ( 4.510 -8.768 5.382) 11.233 10.531 ( 2.367 -10.749 16.143) 19.538 10.986 ( 0.959 -1.002 -1.021) 1.722 12.179 ( 1.346 -1.516 -1.693) 2.641 12.811 ( 7.998 2.897 -4.068) 9.429 13.741 ( -2.779 3.068 0.446) 4.164 14.081 ( -3.492 8.472 18.416) 20.570 14.390 ( 2.188 3.717 3.654) 5.653 14.624 ( -5.570 7.874 7.216) 12.046 14.960 ( -3.079 -3.480 -7.279) 8.636 15.915 ( 5.454 -4.172 5.363) 8.713 16.482 ( -2.896 21.414 -7.682) 22.934 16.785 ( -16.500 9.740 -7.362) 20.526 19.078 ( 17.991 -5.748 -7.443) 20.301 20.365 ( -3.905 -21.383 3.332) 21.991 21.541 ( 6.967 -33.097 -10.625) 35.452 23.278 ( 4.385 -0.912 -8.261) 9.397 25.799 ( -7.221 0.223 -32.869) 33.653 27.795 ( -0.071 -1.525 21.415) 21.469 29.002 ( -6.150 5.220 18.482) 20.166 ======================= Grid point 523 (249/429) ======================= q-point: (-0.29 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -25.661 -21.039 20.744) 39.133 3.034 ( -32.362 -21.546 7.423) 39.580 4.286 ( -1.946 -24.966 3.308) 25.259 4.730 ( 1.259 -15.764 7.330) 17.430 5.135 ( -17.367 -13.910 11.304) 24.957 5.708 ( 0.518 4.877 -24.568) 25.053 6.202 ( -2.706 -5.707 5.667) 8.486 6.815 ( 3.530 10.068 -10.110) 14.699 7.078 ( -9.584 -2.472 -16.139) 18.932 7.366 ( 0.309 -9.976 -0.908) 10.022 7.749 ( -1.923 -9.464 0.583) 9.675 8.120 ( -0.834 -9.425 9.343) 13.297 8.967 ( 7.223 -11.514 -8.464) 16.012 9.682 ( 0.651 -15.409 -2.210) 15.580 9.848 ( 2.715 -11.907 6.473) 13.822 9.969 ( 20.725 -8.927 -0.855) 22.582 10.571 ( 11.178 -12.820 12.803) 21.289 10.787 ( -1.398 -11.042 8.423) 13.958 11.023 ( -1.206 -5.048 -2.141) 5.615 12.228 ( 0.897 -3.038 -1.609) 3.553 12.728 ( 6.410 10.746 -2.076) 12.684 13.592 ( -6.358 12.624 11.225) 18.049 13.998 ( -6.576 -2.653 9.088) 11.527 14.361 ( 1.396 4.583 8.115) 9.423 14.425 ( -4.774 7.021 0.667) 8.517 14.864 ( 5.857 9.859 -10.809) 15.759 15.636 ( -3.478 29.096 -0.168) 29.304 16.031 ( -14.325 20.934 -12.632) 28.338 16.971 ( 7.323 -33.167 -5.190) 34.360 19.325 ( 12.463 -8.560 8.026) 17.118 20.800 ( -4.600 -24.318 3.282) 24.966 22.264 ( 14.790 -35.090 -21.398) 43.679 23.329 ( 5.072 -3.721 -5.362) 8.266 25.678 ( -11.200 0.603 -29.613) 31.666 27.874 ( -0.273 -2.736 18.458) 18.662 28.864 ( -5.488 9.458 19.903) 22.709 ======================= Grid point 524 (250/429) ======================= q-point: (-0.21 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.097 ( -26.250 -13.235 16.011) 33.475 3.422 ( -23.970 -30.336 10.835) 40.152 4.597 ( -1.543 -7.871 2.583) 8.426 4.997 ( -0.476 -11.763 0.636) 11.790 5.435 ( -4.803 -17.700 3.964) 18.764 5.645 ( -0.236 -3.627 -15.535) 15.954 6.426 ( 7.928 -15.539 8.509) 19.409 6.614 ( 3.264 10.661 -10.714) 15.463 7.021 ( -8.604 0.551 -5.704) 10.338 7.568 ( -9.933 -17.639 -4.182) 20.671 7.983 ( 0.039 -9.859 2.516) 10.176 8.396 ( 4.054 -20.185 7.483) 21.906 9.276 ( 2.800 -17.869 -9.493) 20.427 9.911 ( 3.743 -9.976 -2.004) 10.842 10.199 ( 2.192 -19.031 7.994) 20.758 10.275 ( 15.493 -12.699 -2.925) 20.245 10.841 ( 4.727 -0.581 9.081) 10.254 10.962 ( 0.262 -16.049 7.595) 17.757 11.219 ( 1.513 -13.883 -2.357) 14.163 12.278 ( 2.524 -0.092 -0.807) 2.652 12.456 ( -3.553 17.633 -1.075) 18.020 13.277 ( -12.636 14.701 15.089) 24.565 14.079 ( 0.306 -0.422 1.171) 1.282 14.210 ( -8.048 2.613 -2.293) 8.766 14.379 ( 8.014 8.172 11.570) 16.275 14.710 ( 8.061 4.290 -10.611) 13.999 15.088 ( -0.574 23.720 -4.179) 24.093 15.629 ( -15.042 7.666 -9.643) 19.443 17.726 ( 12.718 -37.327 -4.498) 39.690 19.529 ( 8.374 -4.472 9.640) 13.530 21.175 ( -6.442 -17.026 4.385) 18.725 22.805 ( 13.710 -15.791 -27.831) 34.812 23.512 ( 9.118 -13.124 -0.166) 15.981 25.533 ( -13.406 1.816 -23.500) 27.116 27.956 ( -1.241 -2.876 14.350) 14.688 28.669 ( -6.183 11.192 20.297) 23.989 ======================= Grid point 525 (251/429) ======================= q-point: (-0.14 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( -16.512 -12.876 16.142) 26.438 3.878 ( -18.686 -27.926 12.361) 35.803 4.671 ( -2.626 -3.437 -3.930) 5.844 5.152 ( 5.127 -3.538 0.757) 6.275 5.605 ( -7.298 -7.020 -5.474) 11.511 5.831 ( 5.542 -12.070 -1.743) 13.395 6.424 ( -1.844 7.091 -12.915) 14.849 6.801 ( 20.089 -9.436 9.681) 24.215 6.960 ( -4.752 0.168 -0.705) 4.807 7.967 ( -20.195 -32.722 -10.214) 39.786 8.098 ( 0.206 -5.515 8.410) 10.059 8.927 ( 8.068 -28.268 4.492) 29.739 9.568 ( 0.556 -12.407 -4.621) 13.251 10.134 ( 1.088 -12.374 -2.172) 12.610 10.487 ( 5.030 -5.237 17.592) 19.031 10.634 ( 7.506 -17.442 -8.823) 20.938 10.884 ( -1.588 -7.070 -3.868) 8.214 11.319 ( 6.391 -15.340 14.134) 21.816 11.483 ( 3.107 -12.519 -5.454) 14.005 11.987 ( 1.138 23.864 -2.738) 24.047 12.333 ( -11.816 -4.002 2.330) 12.691 13.008 ( -10.294 8.856 9.586) 16.622 13.861 ( -4.826 18.223 0.827) 18.869 14.083 ( -1.167 17.506 4.725) 18.170 14.258 ( 9.473 2.720 -2.481) 10.163 14.783 ( 4.768 9.154 -0.765) 10.350 14.888 ( 2.345 -17.453 -6.403) 18.738 15.558 ( -9.117 -8.140 -4.540) 13.038 18.440 ( 14.061 -30.141 -4.420) 33.552 19.625 ( 5.957 0.270 6.799) 9.043 21.371 ( -8.694 -7.685 5.538) 12.857 22.961 ( 8.525 -2.261 -25.772) 27.240 23.872 ( 12.901 -15.346 -0.037) 20.048 25.366 ( -13.911 3.266 -16.045) 21.486 28.018 ( -2.676 -2.470 10.508) 11.121 28.459 ( -6.349 10.930 19.472) 23.215 ======================= Grid point 526 (252/429) ======================= q-point: (-0.07 -0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.462 ( -4.191 -13.580 16.762) 21.975 4.274 ( -13.634 -21.123 11.548) 27.666 4.717 ( -4.863 -5.191 -7.628) 10.430 5.211 ( 5.014 1.061 6.790) 8.507 5.671 ( -3.703 -4.103 -2.867) 6.226 6.034 ( 3.550 -5.059 -1.540) 6.369 6.306 ( -2.553 -0.265 -16.251) 16.452 6.921 ( 1.305 0.389 4.089) 4.309 7.059 ( 17.379 -2.688 4.756) 18.218 8.087 ( -9.031 -2.906 -2.915) 9.925 8.606 ( -10.160 -34.722 0.256) 36.179 9.491 ( 5.486 -24.440 3.033) 25.231 9.747 ( 4.659 -6.748 3.043) 8.746 10.315 ( -7.820 -6.184 0.449) 9.980 10.574 ( 3.837 -2.783 8.892) 10.076 10.924 ( 6.091 -7.904 3.526) 10.583 11.078 ( -0.595 -12.921 -11.464) 17.284 11.551 ( 0.728 10.239 -11.197) 15.190 11.622 ( 7.001 -7.717 11.980) 15.877 11.768 ( 2.016 -9.572 -0.978) 9.831 12.347 ( -10.680 -4.339 3.999) 12.202 12.847 ( -8.677 4.437 3.936) 10.511 13.465 ( -3.184 18.864 7.414) 20.517 13.700 ( -2.383 21.142 1.186) 21.309 14.320 ( 8.536 -4.047 -6.740) 11.605 14.670 ( 0.827 5.101 0.536) 5.195 15.292 ( 2.249 -22.164 -2.484) 22.415 15.731 ( -2.677 -11.764 -0.616) 12.081 18.998 ( 12.937 -21.250 -3.985) 25.196 19.622 ( 3.861 3.904 3.614) 6.573 21.403 ( -9.506 -1.021 5.877) 11.223 22.963 ( 6.671 0.985 -22.886) 23.859 24.180 ( 11.622 -8.890 0.550) 14.643 25.204 ( -12.295 2.531 -9.485) 15.733 28.063 ( -4.265 -2.989 7.277) 8.948 28.263 ( -4.900 9.935 18.271) 21.367 ======================= Grid point 536 (253/429) ======================= q-point: (-0.36 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -25.020 -0.000 18.207) 30.944 2.664 ( -34.810 -0.000 27.658) 44.460 3.641 ( 2.644 0.000 -1.726) 3.158 4.237 ( -18.902 -0.000 15.294) 24.315 4.934 ( -32.246 -0.000 19.168) 37.513 5.891 ( 1.729 0.000 -27.343) 27.397 6.117 ( 8.213 0.000 4.155) 9.204 6.893 ( -23.927 -0.000 -19.713) 31.002 6.939 ( -7.177 -0.000 -9.106) 11.594 7.315 ( 11.003 0.000 -8.218) 13.733 7.642 ( 1.242 0.000 -4.300) 4.476 7.913 ( 2.971 0.000 -3.049) 4.258 8.914 ( -3.001 -0.000 7.790) 8.348 9.154 ( 2.314 0.000 6.087) 6.512 9.674 ( -1.621 -0.000 1.407) 2.146 9.856 ( 35.147 0.000 -6.132) 35.678 10.184 ( -1.846 -0.000 0.005) 1.846 10.533 ( 12.870 0.000 25.955) 28.970 10.982 ( 0.506 0.000 -2.724) 2.771 12.156 ( -1.754 -0.000 -3.576) 3.983 12.900 ( 14.329 0.000 -2.230) 14.502 13.743 ( -2.716 -0.000 -2.832) 3.924 14.240 ( 0.467 0.000 21.989) 21.994 14.464 ( 0.802 0.000 0.427) 0.909 14.698 ( -14.165 -0.000 8.694) 16.620 14.783 ( 1.118 0.000 -1.778) 2.100 15.899 ( 7.478 0.000 -0.925) 7.535 16.732 ( -23.333 -0.000 -5.613) 23.999 16.785 ( -0.281 -0.000 1.138) 1.172 19.086 ( 15.642 0.000 -24.189) 28.806 20.136 ( -0.722 -0.000 2.070) 2.192 21.181 ( 0.532 0.000 -1.577) 1.664 23.280 ( 4.679 0.000 -8.811) 9.977 25.674 ( -13.583 -0.000 -34.722) 37.284 27.816 ( -1.243 -0.000 20.194) 20.232 29.079 ( 0.353 0.000 22.330) 22.333 ======================= Grid point 537 (254/429) ======================= q-point: (-0.29 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -26.022 -22.851 16.733) 38.462 2.616 ( -32.000 -9.171 28.765) 43.995 3.799 ( -7.929 -17.653 1.991) 19.454 4.371 ( -15.451 -22.811 13.938) 30.876 4.845 ( -21.833 -3.849 17.573) 28.290 5.782 ( -0.083 5.805 -24.605) 25.281 6.139 ( -0.734 1.382 0.557) 1.661 6.855 ( -13.620 -9.121 -11.576) 20.068 6.907 ( -3.554 -2.529 -17.598) 18.130 7.294 ( 8.392 2.361 -2.086) 8.964 7.666 ( -0.856 -0.698 -3.448) 3.621 7.978 ( 1.505 -6.004 2.597) 6.712 8.882 ( 2.895 -0.759 -1.353) 3.284 9.366 ( -0.196 -15.574 4.572) 16.232 9.705 ( -1.596 -5.280 -1.481) 5.711 10.016 ( 25.327 -0.422 -2.813) 25.486 10.355 ( 6.221 -14.213 1.387) 15.577 10.718 ( 15.277 -4.735 24.745) 29.464 10.974 ( -1.225 -0.125 -3.524) 3.733 12.149 ( -5.557 -2.245 -3.867) 7.133 12.952 ( 17.828 4.944 -1.201) 18.540 13.717 ( -1.357 1.053 -0.032) 1.718 14.084 ( -6.860 14.271 15.710) 22.305 14.443 ( 1.753 1.560 9.849) 10.125 14.536 ( -12.292 8.008 5.513) 15.672 14.930 ( 2.705 -4.954 -8.598) 10.285 15.958 ( -2.279 3.975 3.230) 5.606 16.398 ( -6.834 21.000 -7.878) 23.447 16.602 ( -7.894 2.042 -8.167) 11.541 19.236 ( 12.669 -9.261 -5.091) 16.498 20.354 ( 1.372 -20.203 0.247) 20.251 21.582 ( 7.552 -36.808 -12.829) 39.704 23.303 ( 5.039 -1.294 -7.762) 9.345 25.523 ( -18.792 -1.155 -33.328) 38.278 27.857 ( -2.318 -1.661 17.162) 17.397 29.068 ( 3.757 7.623 25.519) 26.897 ======================= Grid point 538 (255/429) ======================= q-point: (-0.21 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( -32.815 -19.076 11.748) 39.733 2.760 ( -20.996 -23.802 28.650) 42.757 4.222 ( -11.527 -29.540 4.649) 32.049 4.768 ( 0.816 -11.367 7.798) 13.809 4.960 ( -19.559 -24.121 14.561) 34.299 5.633 ( 0.565 4.326 -19.304) 19.791 6.154 ( -7.251 -8.815 -3.856) 12.048 6.825 ( 3.736 6.156 -9.173) 11.662 6.925 ( -5.229 -3.179 -11.202) 12.765 7.391 ( 4.707 -3.244 -3.394) 6.648 7.740 ( -0.630 -12.595 3.832) 13.180 8.139 ( -0.914 -10.216 6.157) 11.963 9.008 ( 5.910 -10.387 -10.883) 16.164 9.668 ( -1.499 -15.661 -2.013) 15.861 9.886 ( 2.560 -14.202 -0.819) 14.454 10.203 ( 16.731 -6.505 0.383) 17.955 10.680 ( 1.970 -14.161 2.405) 14.498 10.910 ( 11.525 -0.586 19.461) 22.625 11.023 ( 5.124 -8.227 -1.133) 9.758 12.159 ( -10.402 -4.213 -1.874) 11.378 12.872 ( 18.137 15.686 -2.033) 24.065 13.555 ( -9.214 17.700 16.122) 25.653 13.949 ( -5.268 -6.822 4.171) 9.575 14.262 ( -13.061 9.058 -1.506) 15.966 14.501 ( 6.959 0.315 11.171) 13.165 14.906 ( 7.824 7.080 -10.673) 15.009 15.540 ( -12.018 26.035 -3.879) 28.936 15.835 ( -11.768 25.105 -9.198) 29.212 17.060 ( 11.202 -37.962 -5.394) 39.946 19.479 ( 7.502 -8.273 9.528) 14.681 20.785 ( 1.193 -21.694 0.442) 21.731 22.362 ( 17.513 -35.556 -28.061) 48.563 23.382 ( 7.196 -5.798 -3.378) 9.839 25.380 ( -20.845 -2.225 -28.718) 35.556 27.911 ( -3.754 -2.752 12.614) 13.445 28.933 ( 2.227 13.286 27.582) 30.696 ======================= Grid point 539 (256/429) ======================= q-point: (-0.14 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -22.893 -17.668 19.482) 34.868 3.228 ( -18.436 -30.765 19.147) 40.657 4.577 ( -2.857 -8.823 1.203) 9.352 4.983 ( -2.045 -14.739 1.411) 14.947 5.357 ( -9.818 -17.689 4.475) 20.720 5.614 ( 1.289 -7.139 -6.663) 9.850 6.363 ( -11.724 -12.613 -9.929) 19.878 6.775 ( 18.819 -2.338 1.535) 19.026 6.922 ( -4.361 -1.252 -2.328) 5.100 7.443 ( -6.467 -7.880 -9.497) 13.933 7.999 ( -0.725 -8.447 6.672) 10.789 8.469 ( 4.911 -24.039 5.113) 25.062 9.268 ( 2.720 -15.773 -12.215) 20.134 9.922 ( 0.133 -12.390 -3.455) 12.863 10.236 ( 3.242 -19.734 -1.899) 20.089 10.449 ( 11.754 -10.133 2.580) 15.732 10.779 ( -9.618 -2.181 -1.217) 9.937 11.147 ( 13.391 -11.114 19.829) 26.382 11.262 ( 7.661 -11.741 -1.845) 14.140 12.171 ( -13.968 -4.371 0.553) 14.646 12.532 ( 10.799 28.142 -1.423) 30.177 13.193 ( -10.554 14.353 13.622) 22.427 14.029 ( -8.114 7.341 -3.850) 11.600 14.165 ( 1.444 -10.456 1.785) 10.705 14.504 ( 3.988 10.308 11.964) 16.288 14.764 ( 8.374 7.434 -10.974) 15.678 15.050 ( -2.312 16.334 -5.341) 17.340 15.427 ( -13.822 5.817 -5.706) 16.045 17.871 ( 14.966 -38.043 -5.138) 41.203 19.648 ( 5.054 -3.629 9.501) 11.357 21.126 ( -4.024 -14.399 3.273) 15.304 22.847 ( 12.678 -12.112 -33.222) 37.565 23.654 ( 15.449 -15.815 0.393) 22.112 25.251 ( -20.037 -1.645 -21.620) 29.523 27.958 ( -5.536 -2.938 7.944) 10.119 28.721 ( -0.665 14.587 27.914) 31.503 ======================= Grid point 540 (257/429) ======================= q-point: (-0.07 -0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( -10.366 -18.278 21.336) 29.946 3.739 ( -14.081 -29.045 16.176) 36.105 4.630 ( -1.782 -1.161 -2.686) 3.426 5.209 ( 4.411 -6.959 0.716) 8.270 5.509 ( -5.626 -7.783 -6.046) 11.348 5.872 ( 1.261 -14.173 4.316) 14.869 6.299 ( -8.382 4.100 -14.132) 16.935 6.919 ( -1.791 -1.227 1.850) 2.853 7.118 ( 24.899 -6.587 6.983) 26.685 7.690 ( -18.061 -28.384 -15.379) 36.991 8.127 ( -1.470 -8.938 10.716) 14.031 9.031 ( 7.329 -28.084 4.360) 29.350 9.548 ( -0.178 -14.544 -8.819) 17.010 10.125 ( -1.602 -9.623 -0.395) 9.764 10.559 ( 0.650 -7.440 6.864) 10.144 10.706 ( 7.439 -13.121 -8.606) 17.365 10.835 ( -3.654 -11.432 -0.490) 12.011 11.441 ( 4.158 -10.930 11.825) 16.631 11.550 ( 9.533 -12.552 1.717) 15.855 11.968 ( -1.982 24.017 -1.119) 24.124 12.227 ( -7.568 -1.593 2.024) 7.994 12.942 ( -5.622 9.838 5.671) 12.671 13.791 ( -6.660 14.101 -0.052) 15.595 14.075 ( -4.643 21.584 6.256) 22.947 14.345 ( 7.945 1.653 -4.632) 9.344 14.819 ( 1.031 9.240 -0.734) 9.326 14.904 ( 4.481 -16.921 -5.711) 18.412 15.463 ( -4.822 -12.950 -0.660) 13.835 18.595 ( 15.040 -29.589 -4.646) 33.515 19.711 ( 4.129 1.231 6.063) 7.438 21.290 ( -8.502 -6.309 5.124) 11.762 22.953 ( 7.460 -1.824 -28.424) 29.444 24.052 ( 18.243 -13.733 -1.035) 22.857 25.122 ( -17.946 -0.146 -13.689) 22.571 27.986 ( -7.060 -2.828 4.605) 8.891 28.500 ( -1.891 13.126 26.209) 29.373 ======================= Grid point 551 (258/429) ======================= q-point: (-0.29 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -27.266 -0.000 20.043) 33.840 2.409 ( -30.078 -0.000 36.870) 47.582 3.650 ( 0.023 0.000 -1.631) 1.631 3.906 ( -48.680 -0.000 28.096) 56.206 4.768 ( -7.579 -0.000 14.362) 16.240 5.784 ( -4.112 -0.000 -22.750) 23.119 6.237 ( 9.510 0.000 3.230) 10.043 6.536 ( -22.253 -0.000 -22.523) 31.663 6.824 ( -7.134 -0.000 -6.734) 9.811 7.405 ( 9.446 0.000 -6.357) 11.386 7.642 ( 1.737 0.000 -4.541) 4.862 7.933 ( 2.410 0.000 -2.905) 3.774 8.911 ( -1.674 -0.000 6.154) 6.378 9.196 ( 1.589 0.000 4.082) 4.380 9.631 ( -4.437 -0.000 -3.361) 5.566 10.164 ( -1.680 -0.000 0.686) 1.815 10.245 ( 33.607 0.000 -6.839) 34.295 10.832 ( 19.816 0.000 22.791) 30.201 10.965 ( -0.525 -0.000 0.853) 1.002 12.080 ( -7.787 -0.000 -5.191) 9.359 13.114 ( 22.027 0.000 0.261) 22.028 13.701 ( -2.582 -0.000 -3.030) 3.980 14.317 ( 0.426 0.000 12.781) 12.788 14.483 ( -2.402 -0.000 10.391) 10.665 14.553 ( -12.651 -0.000 6.907) 14.414 14.790 ( 1.237 0.000 -1.822) 2.202 15.970 ( 4.542 0.000 -0.383) 4.558 16.430 ( -22.930 -0.000 -8.346) 24.402 16.786 ( -0.283 -0.000 1.150) 1.184 19.151 ( 11.671 0.000 -27.007) 29.421 20.135 ( -0.749 -0.000 2.038) 2.171 21.181 ( 0.512 0.000 -1.591) 1.671 23.305 ( 5.210 0.000 -8.159) 9.681 25.311 ( -26.379 -0.000 -32.838) 42.121 27.853 ( -3.927 -0.000 14.824) 15.335 29.254 ( 13.309 0.000 29.340) 32.217 ======================= Grid point 552 (259/429) ======================= q-point: (-0.21 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -28.527 -20.709 16.249) 38.816 2.404 ( -26.179 -10.216 38.500) 47.666 3.626 ( -27.149 -16.192 15.324) 35.129 4.194 ( -19.214 -35.059 14.985) 42.695 4.779 ( -1.522 -0.916 12.186) 12.315 5.666 ( -6.944 3.641 -17.829) 19.477 6.078 ( -6.124 7.044 -10.913) 14.360 6.721 ( -0.564 -16.491 -9.326) 18.954 6.805 ( -5.343 -4.070 -10.666) 12.604 7.402 ( 10.761 1.512 -0.153) 10.868 7.646 ( -0.574 0.483 -2.744) 2.845 8.000 ( 1.247 -5.526 0.795) 5.720 8.901 ( 1.753 -2.056 -2.899) 3.963 9.379 ( 0.020 -13.402 2.623) 13.656 9.668 ( -2.236 -8.192 -4.938) 9.823 10.186 ( 5.334 -3.324 -0.740) 6.328 10.505 ( 17.097 -8.750 -4.770) 19.789 10.942 ( 1.017 -2.179 -2.977) 3.826 11.042 ( 20.923 -0.409 25.525) 33.007 12.036 ( -9.437 -1.654 -3.561) 10.221 13.196 ( 22.954 6.220 -0.493) 23.787 13.707 ( -0.193 -2.420 -0.416) 2.463 14.047 ( -8.650 21.149 14.253) 26.930 14.344 ( -18.974 8.250 5.329) 21.365 14.555 ( 5.770 -0.381 11.515) 12.885 14.942 ( 4.189 -5.709 -8.045) 10.717 15.867 ( -13.556 16.094 0.078) 21.042 16.272 ( -8.665 16.938 -8.760) 20.946 16.555 ( 3.268 -6.812 -5.508) 9.350 19.322 ( 3.676 -12.354 -2.539) 13.137 20.413 ( 10.951 -21.430 -5.672) 24.725 21.617 ( 7.848 -41.465 -17.825) 45.812 23.341 ( 6.446 -2.210 -5.901) 9.014 25.115 ( -30.052 -3.400 -28.841) 41.790 27.865 ( -5.379 -1.467 11.297) 12.598 29.287 ( 14.907 11.959 31.564) 36.899 ======================= Grid point 553 (260/429) ======================= q-point: (-0.14 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -29.978 -23.211 13.658) 40.299 2.672 ( -15.767 -22.206 38.020) 46.768 4.063 ( -19.605 -36.633 11.251) 43.045 4.803 ( -6.327 -28.037 9.705) 30.336 4.828 ( -4.471 -7.521 10.865) 13.950 5.560 ( -3.395 0.038 -13.711) 14.125 6.008 ( -10.252 -8.168 -13.194) 18.599 6.794 ( -3.989 -1.920 -2.717) 5.194 6.920 ( 9.469 -1.545 -11.315) 14.835 7.436 ( 5.354 4.323 -5.731) 8.956 7.774 ( 2.691 -15.526 8.379) 17.847 8.151 ( -0.104 -11.489 4.595) 12.375 9.023 ( 4.455 -9.664 -13.380) 17.096 9.635 ( -2.747 -14.901 -2.036) 15.288 9.908 ( 2.839 -16.540 -4.499) 17.374 10.329 ( 5.292 -8.057 -1.246) 9.720 10.666 ( -3.802 -4.134 -4.589) 7.252 11.063 ( 8.750 -8.852 5.211) 13.493 11.224 ( 18.914 -1.525 17.721) 25.963 12.023 ( -9.515 -3.266 -0.214) 10.062 13.098 ( 20.457 19.699 -2.595) 28.518 13.486 ( -14.494 22.410 19.804) 33.234 13.922 ( -0.510 -12.232 1.074) 12.289 14.098 ( -12.233 7.085 -3.997) 14.690 14.623 ( 5.561 0.273 11.354) 12.646 14.961 ( 7.173 3.030 -8.074) 11.217 15.347 ( -15.035 24.797 -7.718) 30.009 15.681 ( -10.744 26.207 -4.571) 28.691 17.188 ( 13.815 -40.747 -5.531) 43.379 19.553 ( -1.955 -10.050 10.554) 14.704 20.838 ( 8.594 -16.459 -2.656) 18.757 22.445 ( 17.439 -34.650 -40.443) 56.039 23.491 ( 13.680 -10.060 0.121) 16.981 24.986 ( -28.766 -6.276 -23.321) 37.560 27.883 ( -6.967 -2.316 7.247) 10.316 29.115 ( 8.391 18.725 32.992) 38.852 ======================= Grid point 554 (261/429) ======================= q-point: (-0.07 -0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.714 ( -17.211 -25.234 20.648) 36.868 3.139 ( -12.231 -28.371 28.195) 41.827 4.542 ( -4.342 -13.797 3.249) 14.824 4.975 ( 0.298 -14.446 1.499) 14.527 5.259 ( -9.073 -17.772 3.482) 20.256 5.616 ( 1.083 -9.993 -0.838) 10.087 6.161 ( -13.697 -12.254 -13.175) 22.613 6.840 ( -4.245 -5.865 1.531) 7.400 7.021 ( 15.414 -9.477 -4.787) 18.717 7.368 ( 1.565 2.172 -7.923) 8.363 8.007 ( -2.918 -6.549 8.350) 11.006 8.562 ( 7.995 -26.642 5.473) 28.350 9.241 ( 1.311 -14.012 -15.481) 20.921 9.897 ( -2.151 -13.996 -2.375) 14.358 10.261 ( 3.325 -19.323 -5.713) 20.422 10.539 ( 2.238 -12.165 -0.315) 12.373 10.658 ( -8.599 -1.596 -4.037) 9.633 11.344 ( 5.924 -12.242 13.888) 19.438 11.387 ( 12.929 -4.244 6.932) 15.271 12.048 ( -5.433 -3.683 2.114) 6.896 12.619 ( 2.117 33.545 2.883) 33.735 13.151 ( -2.390 12.595 7.517) 14.861 13.914 ( -7.510 5.957 -4.963) 10.794 14.214 ( 4.044 -13.094 4.251) 14.349 14.522 ( -7.536 16.099 5.394) 18.576 14.819 ( 7.108 11.755 -11.242) 17.751 15.023 ( 1.822 4.048 -2.475) 5.083 15.275 ( -9.628 4.120 -0.197) 10.475 18.033 ( 15.880 -38.402 -5.152) 41.874 19.705 ( -1.681 -5.082 9.050) 10.514 21.108 ( -0.926 -9.794 1.985) 10.036 22.841 ( 9.204 -10.091 -39.061) 41.380 23.884 ( 24.215 -16.570 -1.151) 29.364 24.914 ( -24.475 -6.087 -16.914) 30.367 27.896 ( -8.319 -2.643 4.042) 9.619 28.849 ( 2.348 18.324 32.202) 37.125 ======================= Grid point 566 (262/429) ======================= q-point: (-0.21 -0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -26.801 -0.000 22.888) 35.245 2.202 ( -31.574 -0.000 36.491) 48.254 3.436 ( -50.580 -0.000 47.486) 69.378 3.632 ( -1.776 -0.000 -1.708) 2.464 4.805 ( 3.675 0.000 11.770) 12.330 5.609 ( -13.918 -0.000 -15.500) 20.832 6.236 ( -12.245 -0.000 -25.631) 28.406 6.352 ( 8.062 0.000 0.786) 8.100 6.732 ( -4.740 -0.000 -3.241) 5.742 7.497 ( 9.315 0.000 -2.036) 9.534 7.648 ( 2.145 0.000 -4.528) 5.010 7.946 ( 1.604 0.000 -2.677) 3.120 8.924 ( 0.266 0.000 4.916) 4.923 9.219 ( 0.312 0.000 1.937) 1.962 9.557 ( -4.653 -0.000 -6.299) 7.831 10.151 ( -1.173 -0.000 1.521) 1.921 10.521 ( 16.203 0.000 -13.481) 21.078 10.920 ( -0.096 -0.000 0.342) 0.355 11.228 ( 26.022 0.000 22.274) 34.253 11.975 ( -4.683 -0.000 -2.476) 5.297 13.387 ( 22.673 0.000 0.762) 22.686 13.662 ( -1.789 -0.000 -2.280) 2.898 14.296 ( -11.631 -0.000 -4.609) 12.511 14.381 ( -10.435 -0.000 16.445) 19.477 14.619 ( 8.667 0.000 15.331) 17.611 14.797 ( 1.230 0.000 -1.870) 2.238 15.956 ( -12.390 -0.000 3.275) 12.816 16.188 ( -6.667 -0.000 -11.768) 13.525 16.787 ( -0.302 -0.000 1.163) 1.201 19.135 ( 3.383 0.000 -32.902) 33.076 20.134 ( -0.756 -0.000 2.003) 2.141 21.181 ( 0.492 0.000 -1.606) 1.680 23.348 ( 7.326 0.000 -5.519) 9.172 24.833 ( -35.430 -0.000 -23.145) 42.320 27.837 ( -6.366 -0.000 9.473) 11.414 29.605 ( 26.278 0.000 30.665) 40.384 ======================= Grid point 567 (263/429) ======================= q-point: (-0.14 -0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -29.195 -16.087 18.853) 38.296 2.264 ( -23.906 -18.984 37.979) 48.727 3.353 ( -31.567 -18.951 36.547) 51.878 4.078 ( -9.167 -36.579 9.819) 38.967 4.848 ( 4.690 0.497 10.540) 11.547 5.469 ( -16.884 0.535 -11.244) 20.293 5.964 ( -1.416 7.826 -19.571) 21.125 6.696 ( -4.607 -11.340 -12.630) 17.588 6.757 ( 6.825 -11.348 -0.852) 13.270 7.541 ( 11.935 0.935 0.515) 11.983 7.639 ( 1.086 -0.353 0.814) 1.402 8.013 ( 0.690 -5.267 0.108) 5.313 8.901 ( 0.564 -1.877 -4.049) 4.499 9.386 ( 0.472 -10.715 0.365) 10.731 9.622 ( -1.475 -11.954 -7.274) 14.071 10.208 ( 0.266 -5.768 0.496) 5.795 10.576 ( -0.083 -2.537 -13.780) 14.012 10.965 ( 0.246 -5.008 4.468) 6.716 11.404 ( 25.961 1.591 15.242) 30.147 11.963 ( 0.561 0.066 2.373) 2.439 13.443 ( 16.909 6.560 -1.679) 18.215 13.721 ( 4.250 -5.819 1.162) 7.299 13.992 ( -13.202 29.186 19.219) 37.356 14.134 ( -14.786 5.551 -2.821) 16.043 14.674 ( 6.336 0.075 11.343) 12.993 14.953 ( 1.544 -4.608 -6.725) 8.297 15.691 ( -13.936 17.166 0.438) 22.115 16.136 ( -8.904 23.470 -7.945) 26.330 16.608 ( 7.878 -17.146 -4.265) 19.345 19.284 ( -9.535 -15.171 -1.522) 17.983 20.565 ( 20.382 -25.105 -13.771) 35.147 21.611 ( 3.953 -45.623 -26.507) 52.913 23.431 ( 12.770 -4.577 -1.080) 13.608 24.637 ( -34.754 -5.286 -16.606) 38.878 27.823 ( -7.372 -1.014 6.926) 10.166 29.631 ( 22.338 18.496 30.660) 42.203 ======================= Grid point 568 (264/429) ======================= q-point: (-0.07 -0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -22.730 -28.049 18.426) 40.533 2.669 ( -10.854 -23.375 41.055) 48.474 3.886 ( -18.770 -41.981 19.260) 49.856 4.747 ( -5.005 -32.947 9.502) 34.653 4.886 ( 3.717 -0.820 6.735) 7.736 5.423 ( -13.020 -8.139 -8.408) 17.506 5.871 ( -2.191 -2.897 -16.307) 16.706 6.736 ( -3.925 -3.221 -3.909) 6.407 7.002 ( 10.134 -4.326 -10.095) 14.944 7.472 ( 4.249 6.255 -3.825) 8.474 7.854 ( 3.990 -11.312 8.925) 14.951 8.189 ( 4.078 -15.881 6.599) 17.674 9.009 ( 2.431 -8.969 -15.966) 18.473 9.593 ( -2.712 -13.864 -2.191) 14.296 9.916 ( 2.100 -17.849 -7.313) 19.403 10.343 ( -0.886 -8.226 -1.531) 8.415 10.567 ( -7.784 -2.089 -9.308) 12.312 11.130 ( -3.241 -11.726 6.394) 13.744 11.522 ( 21.235 3.234 11.662) 24.442 11.994 ( 4.161 -1.289 5.613) 7.105 13.276 ( 1.035 32.140 6.411) 32.789 13.390 ( -4.723 12.519 9.980) 16.692 13.938 ( 0.928 -4.047 -5.401) 6.812 13.980 ( -2.276 -4.430 1.938) 5.345 14.687 ( -2.013 5.238 6.683) 8.726 14.956 ( -6.606 -2.117 -5.557) 8.888 15.234 ( 5.011 24.457 -4.368) 25.344 15.539 ( -11.356 23.734 -2.509) 26.430 17.336 ( 14.869 -42.617 -5.519) 45.472 19.504 ( -13.140 -13.753 9.882) 21.434 20.953 ( 12.334 -9.715 -4.297) 16.278 22.429 ( 9.033 -33.767 -54.161) 64.461 23.730 ( 27.372 -14.948 0.960) 31.202 24.561 ( -30.826 -9.539 -12.447) 34.586 27.812 ( -8.463 -1.669 4.386) 9.677 29.353 ( 9.730 24.858 33.318) 42.693 ======================= Grid point 581 (265/429) ======================= q-point: (-0.14 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -22.784 -0.000 26.296) 34.793 1.892 ( -42.078 -0.000 29.137) 51.181 3.181 ( -28.914 -0.000 68.769) 74.600 3.600 ( -2.463 -0.000 -1.867) 3.091 4.917 ( 6.925 0.000 10.844) 12.866 5.355 ( -19.302 -0.000 -10.312) 21.884 6.065 ( -0.961 -0.000 -26.174) 26.191 6.401 ( 0.222 0.000 -3.343) 3.351 6.717 ( 3.557 0.000 1.459) 3.845 7.620 ( 11.344 0.000 4.231) 12.107 7.658 ( 2.452 0.000 -4.307) 4.956 7.950 ( 0.666 0.000 -2.390) 2.482 8.955 ( 2.532 0.000 3.053) 3.966 9.217 ( -1.294 -0.000 0.064) 1.295 9.484 ( -2.811 -0.000 -7.745) 8.239 10.149 ( -0.439 -0.000 2.271) 2.313 10.510 ( -4.150 -0.000 -19.657) 20.090 10.901 ( -8.211 -0.000 6.213) 10.297 11.589 ( 24.420 0.000 2.798) 24.580 12.032 ( 14.320 0.000 10.211) 17.587 13.537 ( 0.034 0.000 -4.200) 4.200 13.739 ( 17.614 0.000 5.191) 18.363 14.074 ( -22.768 -0.000 2.884) 22.950 14.369 ( -0.136 -0.000 4.366) 4.368 14.794 ( 10.976 0.000 9.530) 14.536 14.804 ( 1.097 0.000 -1.912) 2.204 15.733 ( -21.973 -0.000 4.576) 22.444 16.183 ( 7.561 0.000 -7.177) 10.425 16.787 ( -0.335 -0.000 1.174) 1.221 18.939 ( -16.002 -0.000 -36.711) 40.047 20.133 ( -0.742 -0.000 1.972) 2.107 21.181 ( 0.477 0.000 -1.621) 1.689 23.469 ( 16.770 0.000 0.566) 16.779 24.365 ( -32.078 -0.000 -7.843) 33.023 27.783 ( -7.565 -0.000 6.020) 9.667 30.058 ( 31.908 0.000 20.572) 37.965 ======================= Grid point 582 (266/429) ======================= q-point: (-0.07 -0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -22.976 -14.256 25.020) 36.839 2.115 ( -22.650 -34.346 30.517) 51.225 3.236 ( -16.402 -14.993 52.113) 56.653 4.035 ( -4.783 -37.148 9.150) 38.556 4.933 ( 1.531 2.373 6.068) 6.693 5.234 ( -13.757 -1.089 -5.462) 14.841 5.907 ( 3.994 6.665 -20.291) 21.728 6.590 ( -6.152 -10.600 -9.386) 15.437 6.857 ( 10.153 -11.695 -2.118) 15.632 7.609 ( 2.340 5.881 -3.872) 7.420 7.747 ( 11.639 -5.387 8.429) 15.347 8.024 ( 1.465 -6.578 0.892) 6.798 8.883 ( -0.857 -0.196 -5.011) 5.087 9.400 ( 2.919 -7.522 -2.032) 8.321 9.576 ( -1.495 -15.569 -8.721) 17.908 10.210 ( -0.252 -5.373 0.348) 5.390 10.454 ( -8.858 -2.006 -16.818) 19.114 10.914 ( -12.094 -6.914 7.022) 15.600 11.710 ( 20.784 0.853 -4.014) 21.185 12.109 ( 17.138 4.830 16.080) 23.991 13.509 ( -2.844 1.512 -1.784) 3.682 13.787 ( -21.131 19.258 11.983) 31.000 13.878 ( 9.047 -1.549 6.629) 11.322 14.085 ( 6.459 16.206 -0.775) 17.462 14.765 ( 2.075 2.383 5.797) 6.602 14.898 ( -6.751 0.580 -5.968) 9.029 15.603 ( -1.870 8.240 4.045) 9.368 16.023 ( -4.735 33.660 -4.647) 34.308 16.692 ( 9.046 -25.352 -4.823) 27.346 19.079 ( -24.238 -20.794 -2.392) 32.025 20.753 ( 21.871 -31.426 -21.954) 44.135 21.483 ( -7.663 -42.376 -28.958) 51.894 23.670 ( 27.576 -8.459 3.145) 29.016 24.231 ( -26.189 -4.690 -3.337) 26.814 27.753 ( -8.045 -0.515 4.645) 9.304 29.992 ( 20.111 25.393 21.974) 39.143 ======================= Grid point 596 (267/429) ======================= q-point: (-0.07 -0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -14.594 -0.000 29.096) 32.551 1.539 ( -31.459 -0.000 31.614) 44.599 3.240 ( -10.468 -0.000 76.819) 77.529 3.564 ( -2.178 -0.000 -2.074) 3.007 4.970 ( -6.712 -0.000 -2.585) 7.193 5.179 ( -1.437 -0.000 2.884) 3.222 5.993 ( 3.997 0.000 -23.905) 24.236 6.348 ( -5.716 -0.000 -3.945) 6.946 6.808 ( 9.529 0.000 2.068) 9.751 7.673 ( 2.636 0.000 -3.922) 4.725 7.790 ( 13.071 0.000 7.770) 15.206 7.944 ( -0.310 -0.000 -2.048) 2.071 8.996 ( 2.856 0.000 -0.808) 2.968 9.190 ( -2.887 -0.000 -1.149) 3.108 9.451 ( 3.078 0.000 -7.465) 8.075 10.157 ( 0.295 0.000 2.699) 2.715 10.335 ( -10.659 -0.000 -23.239) 25.567 10.780 ( -15.207 -0.000 9.703) 18.039 11.796 ( 15.641 0.000 -13.396) 20.594 12.337 ( 23.428 0.000 18.473) 29.835 13.476 ( -7.164 -0.000 -0.288) 7.170 13.803 ( -23.976 -0.000 1.340) 24.013 13.973 ( 14.624 0.000 7.143) 16.275 14.418 ( 6.372 0.000 2.941) 7.018 14.808 ( 0.864 0.000 -1.940) 2.124 14.880 ( 0.341 0.000 -5.365) 5.376 15.570 ( -7.983 -0.000 9.280) 12.241 16.274 ( 10.556 0.000 -3.503) 11.122 16.788 ( -0.376 -0.000 1.181) 1.239 18.501 ( -34.920 -0.000 -25.910) 43.483 20.132 ( -0.710 -0.000 1.951) 2.076 21.180 ( 0.469 0.000 -1.631) 1.697 23.751 ( 23.362 0.000 4.878) 23.866 24.080 ( -7.533 -0.000 -1.616) 7.704 27.711 ( -7.748 -0.000 4.390) 8.905 30.432 ( 21.186 0.000 4.347) 21.627 ======================= Grid point 597 (268/429) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -1.781 -0.000 17.573) 17.663 2.103 ( 5.293 0.000 22.881) 23.485 3.488 ( -1.160 -0.000 -2.079) 2.381 4.576 ( -7.668 -0.000 -10.801) 13.246 4.728 ( -0.416 -0.000 41.049) 41.051 5.478 ( 3.289 0.000 11.441) 11.905 5.656 ( 7.600 0.000 -6.398) 9.935 6.263 ( -6.160 -0.000 2.938) 6.825 6.830 ( 8.604 0.000 -8.746) 12.269 7.676 ( 1.751 0.000 1.398) 2.241 7.901 ( -0.615 -0.000 -1.063) 1.228 8.062 ( 4.192 0.000 4.360) 6.048 8.896 ( 1.371 0.000 -4.751) 4.945 9.117 ( -2.810 -0.000 -1.020) 2.990 9.402 ( 1.090 0.000 -9.429) 9.492 9.485 ( -4.737 -0.000 -23.815) 24.282 10.221 ( 0.492 0.000 1.691) 1.761 10.889 ( -11.157 -0.000 9.548) 14.684 11.592 ( 6.274 0.000 -9.673) 11.530 12.972 ( 5.542 0.000 13.568) 14.656 13.346 ( 2.496 0.000 -9.358) 9.685 13.676 ( -18.029 -0.000 13.254) 22.377 14.232 ( 4.766 0.000 6.275) 7.880 14.505 ( -17.131 -0.000 0.109) 17.131 14.775 ( 0.397 0.000 -1.339) 1.397 14.790 ( 20.316 0.000 -2.551) 20.475 15.686 ( 2.330 0.000 4.021) 4.647 16.242 ( 1.776 0.000 -7.289) 7.502 16.808 ( -0.281 -0.000 0.795) 0.844 17.861 ( -11.359 -0.000 -7.952) 13.866 20.167 ( -0.498 -0.000 1.462) 1.545 21.148 ( 0.360 0.000 -1.242) 1.293 23.868 ( -18.366 -0.000 5.462) 19.161 24.181 ( 34.715 0.000 -9.521) 35.997 27.712 ( -4.709 -0.000 2.753) 5.455 30.503 ( -0.435 -0.000 -2.081) 2.126 ======================= Grid point 598 (269/429) ======================= q-point: ( 0.07 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 6.711 -11.259 18.002) 22.268 2.461 ( 11.106 -42.764 16.900) 47.304 3.763 ( 2.149 -25.661 -0.598) 25.758 4.475 ( -3.493 3.567 -7.102) 8.682 4.874 ( 1.435 -7.910 26.866) 28.044 5.499 ( 2.932 1.545 8.562) 9.181 5.666 ( 5.659 0.683 -3.926) 6.921 6.383 ( -5.959 -12.294 5.842) 14.859 6.883 ( 7.992 -1.403 -10.372) 13.168 7.672 ( 1.901 0.846 1.812) 2.759 7.888 ( -1.605 -1.085 -0.420) 1.982 8.265 ( 0.017 -17.152 3.573) 17.520 8.683 ( -2.593 13.212 -2.820) 13.756 9.237 ( -0.792 -10.540 -18.854) 21.614 9.462 ( 7.888 -0.117 -2.416) 8.250 9.554 ( -7.576 -17.094 -11.133) 21.761 10.290 ( 0.204 -5.464 1.657) 5.713 10.886 ( -12.922 -5.682 9.139) 16.817 11.670 ( 9.372 -5.018 -8.996) 13.926 12.955 ( -4.507 5.064 13.827) 15.399 13.272 ( -11.741 4.615 -6.504) 14.194 13.582 ( 0.009 5.438 13.840) 14.870 14.159 ( -2.122 12.421 3.926) 13.198 14.375 ( -11.351 1.029 -0.017) 11.397 14.491 ( 2.736 16.404 0.634) 16.642 14.941 ( 15.378 3.786 -4.458) 16.453 15.594 ( 0.202 15.238 1.868) 15.353 16.242 ( 14.429 35.704 -2.900) 38.618 16.669 ( 2.557 -40.787 -7.978) 41.639 18.375 ( -20.881 -39.905 5.001) 45.315 20.507 ( 5.821 -32.040 -10.248) 34.139 21.158 ( -0.470 -1.114 -0.592) 1.346 23.806 ( -19.375 -4.167 4.082) 20.234 24.412 ( 35.428 -4.382 -12.703) 37.891 27.691 ( -3.820 0.110 3.775) 5.372 30.350 ( -4.811 13.295 1.899) 14.266 ======================= Grid point 599 (270/429) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 7.770 -24.423 15.256) 29.826 3.447 ( 8.945 -44.997 20.658) 50.314 4.308 ( 3.308 -24.749 -2.831) 25.129 4.470 ( 7.804 -7.940 -7.935) 13.672 5.107 ( -1.153 -11.063 8.513) 14.007 5.501 ( 2.146 0.301 2.251) 3.125 5.727 ( 3.728 -5.878 -1.675) 7.159 6.580 ( -3.320 -8.929 9.017) 13.117 6.891 ( 5.474 3.151 -4.903) 7.996 7.742 ( 2.821 -7.528 0.251) 8.043 7.950 ( -1.666 -6.899 2.896) 7.666 8.376 ( -7.788 6.282 -9.006) 13.462 8.756 ( -2.993 -26.434 4.098) 26.917 9.443 ( 1.560 -14.316 -18.408) 23.371 9.549 ( 5.853 -6.840 -2.677) 9.392 9.845 ( -5.498 -17.438 -1.345) 18.333 10.384 ( -0.118 -3.503 2.787) 4.478 11.007 ( -12.111 -13.345 6.556) 19.176 11.834 ( 11.207 -6.791 -6.769) 14.749 12.728 ( -22.475 13.685 14.022) 29.817 13.090 ( -0.390 8.169 4.663) 9.414 13.500 ( 3.708 8.786 7.357) 12.044 13.881 ( 4.559 13.370 -6.392) 15.505 14.155 ( -10.037 14.549 1.131) 17.711 14.415 ( 0.818 -4.009 0.421) 4.113 14.830 ( 5.490 12.992 -4.184) 14.712 15.239 ( 4.064 17.547 1.545) 18.078 15.844 ( 16.321 17.376 -4.386) 24.239 17.547 ( -0.029 -47.448 -9.411) 48.372 18.937 ( -21.477 -31.095 17.130) 41.492 21.172 ( 9.320 -8.020 -5.184) 13.344 21.220 ( 1.842 -29.786 -16.876) 34.284 23.815 ( -18.887 -7.829 3.552) 20.751 24.688 ( 31.002 -6.273 -14.853) 34.944 27.683 ( -2.744 -0.635 4.924) 5.672 30.006 ( -6.846 19.280 7.733) 21.872 ======================= Grid point 600 (271/429) ======================= q-point: ( 0.21 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.264 ( 5.847 -28.651 14.337) 32.567 4.170 ( 4.452 -22.807 25.844) 34.755 4.575 ( -0.148 -12.852 -8.279) 15.289 4.934 ( 17.401 -20.908 -12.239) 29.828 5.218 ( -2.427 -0.926 0.944) 2.764 5.563 ( 0.367 -7.852 -6.497) 10.198 5.909 ( -0.686 -10.570 -5.140) 11.774 6.720 ( 0.744 -5.767 9.932) 11.509 6.882 ( 7.619 0.176 4.794) 9.003 7.936 ( -3.739 -12.582 -5.657) 14.293 8.102 ( -3.858 -4.194 2.149) 6.090 8.352 ( -0.986 -16.030 -1.027) 16.093 9.275 ( -10.221 -28.936 4.219) 30.977 9.693 ( 5.465 -12.705 -9.252) 16.640 9.798 ( 2.290 -17.144 -6.488) 18.473 10.141 ( -5.294 -17.129 2.870) 18.157 10.454 ( 1.551 -4.384 1.313) 4.832 11.245 ( -9.510 -16.387 4.240) 19.415 12.007 ( 11.304 -5.242 -2.928) 12.799 12.300 ( -16.614 20.201 8.640) 27.545 12.967 ( 0.500 6.501 6.451) 9.172 13.299 ( 1.321 13.486 3.370) 13.963 13.706 ( 6.761 10.589 -8.003) 14.896 13.794 ( -2.674 17.478 1.553) 17.750 14.561 ( -2.448 -10.840 -0.399) 11.120 14.581 ( -3.286 11.413 -1.514) 11.973 15.044 ( 7.354 7.810 -0.273) 10.731 15.719 ( 9.571 3.241 -2.506) 10.411 18.308 ( -8.582 -36.760 -9.715) 38.978 19.358 ( -12.972 -19.975 18.080) 29.902 21.240 ( 3.659 -2.537 4.476) 6.313 21.819 ( 11.634 -25.719 -25.618) 38.119 23.893 ( -17.549 -10.993 3.669) 21.031 24.934 ( 25.055 -4.967 -14.722) 29.481 27.708 ( -1.529 -2.282 6.046) 6.641 29.607 ( -6.831 19.967 10.430) 23.540 ======================= Grid point 601 (272/429) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.832 ( 5.067 -24.094 14.702) 28.677 4.561 ( 4.087 -12.761 20.166) 24.212 4.806 ( 0.927 -13.168 -9.841) 16.465 5.089 ( 9.292 7.131 -9.110) 14.838 5.231 ( -12.399 -4.956 -3.278) 13.749 5.805 ( 9.961 -12.857 -7.966) 18.110 6.040 ( -6.983 -7.328 -6.332) 11.940 6.845 ( 2.221 -4.140 2.250) 5.209 6.975 ( 13.752 -0.501 8.224) 16.031 8.093 ( -12.662 -7.766 -13.645) 20.170 8.238 ( -2.128 -18.397 9.228) 20.691 8.854 ( 2.477 -29.600 11.124) 31.718 9.693 ( -14.014 -22.552 0.477) 26.556 9.942 ( 5.638 -10.671 -1.792) 12.202 10.152 ( 1.400 -18.761 -7.202) 20.145 10.400 ( -3.834 -11.950 6.828) 14.287 10.642 ( 4.051 -14.105 -2.807) 14.941 11.481 ( -7.967 -11.465 1.553) 14.048 11.874 ( -3.489 16.697 2.011) 17.176 12.159 ( 10.174 -4.716 1.163) 11.274 12.864 ( -13.663 2.094 -5.470) 14.865 13.071 ( 8.765 13.720 6.838) 17.659 13.350 ( 6.770 22.649 6.523) 24.522 13.652 ( 1.165 4.212 -3.574) 5.646 14.360 ( -5.657 8.258 0.102) 10.010 14.712 ( 0.552 -2.555 -2.370) 3.529 15.067 ( 2.913 -9.297 -1.731) 9.895 15.801 ( 3.009 -7.028 -1.217) 7.742 18.803 ( -13.234 -25.028 -7.165) 29.204 19.587 ( -7.613 -7.761 11.679) 15.957 21.331 ( 6.675 -2.339 7.219) 10.106 22.215 ( 10.936 -14.286 -22.633) 28.913 24.027 ( -14.952 -12.071 3.885) 19.605 25.102 ( 19.459 -1.672 -12.663) 23.277 27.774 ( -0.535 -4.028 6.932) 8.035 29.226 ( -5.730 18.361 10.076) 21.714 ======================= Grid point 602 (273/429) ======================= q-point: ( 0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.247 ( 6.043 -12.259 15.109) 20.374 4.767 ( 2.267 -3.773 5.315) 6.901 4.902 ( 2.456 5.205 -6.770) 8.886 5.077 ( -1.953 -6.990 -2.239) 7.595 5.277 ( -11.105 -12.467 -1.009) 16.727 6.023 ( 9.899 -5.360 -6.688) 13.094 6.100 ( -8.702 -5.134 -6.084) 11.794 6.899 ( 0.699 -0.782 2.353) 2.577 7.053 ( 14.264 1.867 2.062) 14.533 8.118 ( -9.130 -3.793 -8.752) 13.203 8.678 ( -3.976 -25.196 10.444) 27.563 9.417 ( -1.670 -25.234 14.518) 29.161 9.991 ( -11.061 -17.382 -5.049) 21.212 10.148 ( 3.949 -8.088 10.037) 13.482 10.432 ( 3.887 -11.623 -13.750) 18.419 10.616 ( -1.283 -9.081 11.627) 14.809 10.937 ( 5.252 -14.191 -7.583) 16.926 11.477 ( -3.101 4.690 -6.515) 8.605 11.763 ( -4.762 -2.873 2.360) 6.042 12.324 ( 9.669 -6.678 2.812) 12.083 12.627 ( -8.653 12.786 -8.442) 17.596 12.909 ( 7.165 11.032 0.116) 13.155 13.139 ( 4.874 4.259 14.666) 16.031 13.526 ( -2.523 10.058 2.042) 10.569 14.250 ( -5.218 -1.211 -1.807) 5.654 14.690 ( 2.963 3.395 -1.663) 4.803 15.355 ( 0.126 -17.838 -2.513) 18.015 15.956 ( -1.010 -7.537 -0.836) 7.650 19.101 ( -12.371 -16.252 -3.908) 20.795 19.628 ( -4.527 0.357 5.016) 6.767 21.419 ( 6.643 -1.110 8.190) 10.604 22.420 ( 9.119 -6.132 -19.303) 22.211 24.170 ( -11.181 -9.921 4.046) 15.486 25.178 ( 14.004 1.573 -9.778) 17.152 27.875 ( -0.175 -5.332 7.551) 9.245 28.890 ( -4.391 15.813 8.197) 18.345 ======================= Grid point 603 (274/429) ======================= q-point: ( 0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.378 ( 8.526 5.739 15.445) 18.552 4.754 ( -3.755 1.536 -8.209) 9.157 4.849 ( -2.023 -0.763 -6.654) 6.996 5.200 ( -4.939 -7.887 15.934) 18.453 5.516 ( -4.466 -13.825 -2.173) 14.690 6.101 ( -8.002 -1.049 -4.662) 9.320 6.116 ( 8.513 -0.757 -9.133) 12.508 6.917 ( 0.691 -0.707 2.739) 2.912 7.096 ( 12.464 1.808 0.715) 12.615 8.091 ( -10.515 -1.316 -7.641) 13.065 9.101 ( -0.473 -17.480 12.399) 21.436 9.802 ( -3.511 -14.344 13.603) 20.078 10.172 ( -6.755 -7.812 -1.456) 10.430 10.360 ( -0.165 -9.508 10.378) 14.076 10.596 ( 6.071 -5.737 -14.274) 16.538 10.737 ( 2.337 -2.687 6.174) 7.127 11.170 ( 4.819 -6.338 -6.066) 10.010 11.381 ( -3.204 1.440 -11.515) 12.039 11.754 ( -5.178 0.782 2.249) 5.699 12.360 ( 0.842 10.695 -5.972) 12.278 12.552 ( 8.789 -11.455 3.134) 14.774 12.776 ( 4.994 6.087 3.066) 8.450 13.134 ( -4.325 6.492 7.138) 10.574 13.294 ( -4.275 6.600 5.821) 9.783 14.317 ( -3.688 -7.132 -1.379) 8.147 14.645 ( 3.088 2.898 -1.005) 4.352 15.670 ( 0.399 -14.741 -1.675) 14.841 16.028 ( -2.102 -0.457 -0.885) 2.326 19.281 ( -8.467 -10.444 -1.338) 13.511 19.569 ( -0.702 4.288 0.503) 4.374 21.477 ( 2.895 -0.510 8.147) 8.661 22.504 ( 7.434 -1.878 -17.548) 19.150 24.277 ( -6.517 -6.139 3.938) 9.781 25.178 ( 7.939 3.334 -6.819) 10.983 28.000 ( -0.614 -6.560 8.009) 10.371 28.613 ( -3.361 12.443 6.266) 14.332 ======================= Grid point 604 (275/429) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.282 ( 9.612 10.977 15.799) 21.506 4.637 ( -9.823 4.047 -5.479) 11.954 4.878 ( -1.737 -2.004 -3.019) 4.019 5.343 ( -2.182 -5.610 16.455) 17.521 5.669 ( -3.905 -4.748 -3.224) 6.941 6.028 ( -4.596 3.529 -4.564) 7.376 6.136 ( 6.909 1.054 -9.434) 11.740 6.948 ( 0.381 -1.513 1.265) 2.009 7.139 ( 11.118 1.095 0.386) 11.179 8.030 ( -10.109 -0.293 -6.177) 11.851 9.337 ( 1.259 -3.294 12.455) 12.944 9.982 ( -1.095 -3.900 9.549) 10.373 10.206 ( -7.301 0.395 1.646) 7.494 10.427 ( 0.105 3.133 7.410) 8.045 10.688 ( 2.637 0.223 -7.569) 8.018 10.813 ( 2.361 -6.825 -3.761) 8.143 11.166 ( -3.216 3.574 -3.250) 5.803 11.363 ( 7.128 0.830 -12.564) 14.469 11.734 ( -0.391 -0.319 3.224) 3.263 12.189 ( 1.980 8.196 -1.983) 8.662 12.730 ( -0.558 0.185 3.620) 3.667 12.816 ( -2.467 9.313 1.459) 9.744 12.927 ( 2.213 -12.574 4.626) 13.580 13.293 ( -4.980 -2.866 5.661) 8.066 14.399 ( 0.087 -1.468 -1.806) 2.329 14.611 ( 0.207 1.327 0.415) 1.406 15.876 ( 1.712 -4.890 -0.767) 5.238 15.935 ( -1.407 7.856 -0.277) 7.986 19.409 ( -1.647 -5.993 -0.223) 6.219 19.472 ( 2.193 5.506 -1.496) 6.113 21.505 ( -2.844 -0.873 7.973) 8.510 22.527 ( 6.137 -0.005 -17.515) 18.559 24.341 ( -0.806 -2.157 3.001) 3.783 25.129 ( 1.038 3.337 -4.043) 5.344 28.136 ( -2.445 -6.336 7.088) 9.816 28.420 ( -1.965 6.535 6.652) 9.529 ======================= Grid point 605 (276/429) ======================= q-point: (-0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.157 ( 7.021 11.593 20.386) 24.480 4.516 ( -6.961 1.792 -1.858) 7.424 4.815 ( -3.828 8.089 3.542) 9.624 5.448 ( -1.159 -3.779 12.352) 12.969 5.632 ( -3.927 4.728 -6.894) 9.236 5.922 ( -0.429 4.218 -7.911) 8.976 6.131 ( 7.017 2.197 -6.465) 9.791 6.971 ( -0.435 -0.524 -0.133) 0.693 7.181 ( 7.650 0.221 -1.863) 7.876 7.961 ( -7.588 1.527 -3.398) 8.453 9.235 ( 0.364 17.060 10.619) 20.098 9.945 ( 3.456 10.788 5.438) 12.566 10.057 ( -9.207 10.386 4.512) 14.594 10.394 ( -1.400 0.509 6.340) 6.513 10.637 ( 3.077 4.385 -9.382) 10.804 10.921 ( -2.067 -3.693 -4.398) 6.103 11.027 ( -1.475 7.775 -8.257) 11.438 11.369 ( 10.214 1.998 -5.867) 11.948 11.785 ( 6.075 -2.443 2.234) 6.918 12.061 ( 0.826 5.855 5.616) 8.155 12.508 ( -10.928 10.717 3.380) 15.675 12.796 ( -3.206 -3.279 2.726) 5.335 13.305 ( 4.196 -14.450 -0.311) 15.050 13.355 ( -6.686 -11.939 4.653) 14.454 14.349 ( 4.616 6.548 -3.311) 8.669 14.616 ( -3.195 -2.612 1.275) 4.319 15.658 ( 0.883 18.157 -1.512) 18.241 15.925 ( 2.487 3.763 2.548) 5.181 19.311 ( 9.127 12.558 -2.530) 15.729 19.560 ( 0.410 -7.850 0.717) 7.893 21.505 ( -8.370 -0.759 8.021) 11.618 22.512 ( 5.159 1.528 -19.134) 19.876 24.358 ( 6.106 2.501 0.891) 6.658 25.053 ( -6.346 2.545 -1.606) 7.023 28.147 ( -6.112 2.990 1.255) 6.919 28.460 ( 0.919 -8.636 13.268) 15.857 ======================= Grid point 606 (277/429) ======================= q-point: (-0.36 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( 0.117 15.280 23.067) 27.669 4.452 ( -4.038 10.220 11.725) 16.070 4.598 ( -0.214 5.539 2.151) 5.946 5.430 ( -6.327 8.696 -13.416) 17.194 5.505 ( 1.158 4.001 13.475) 14.104 5.861 ( 0.817 -0.528 -14.510) 14.543 6.107 ( 8.086 4.392 -2.808) 9.621 6.953 ( -1.165 1.895 -1.173) 2.515 7.200 ( -1.626 -0.373 -5.900) 6.131 7.845 ( -1.202 8.639 1.570) 8.863 8.808 ( 1.211 27.547 11.656) 29.936 9.695 ( 1.350 16.806 2.124) 16.993 9.699 ( -6.055 23.193 3.188) 24.181 10.348 ( -2.474 6.228 5.438) 8.630 10.532 ( 1.989 5.659 -14.522) 15.712 10.729 ( 1.487 14.975 -7.931) 17.010 11.027 ( -0.788 0.650 -4.431) 4.547 11.426 ( 6.255 -7.260 -3.118) 10.078 11.796 ( 4.970 4.779 0.674) 6.928 12.052 ( 4.776 2.045 15.045) 15.917 12.311 ( -6.955 3.727 3.207) 8.517 12.836 ( -7.685 -5.274 3.484) 9.951 13.487 ( -6.388 -13.832 -0.719) 15.253 13.695 ( -2.772 -17.128 -1.644) 17.428 14.270 ( 6.483 2.358 -3.919) 7.934 14.678 ( -3.057 -5.901 0.797) 6.694 15.270 ( 2.771 23.057 -0.992) 23.244 15.795 ( 3.455 11.971 4.875) 13.379 19.069 ( 12.462 19.645 -2.112) 23.360 19.715 ( 2.808 -6.836 0.757) 7.429 21.458 ( -11.693 1.342 8.371) 14.443 22.447 ( 4.408 4.625 -22.762) 23.642 24.316 ( 13.451 7.928 -1.920) 15.731 24.947 ( -13.117 2.841 0.221) 13.423 28.039 ( -7.041 3.734 0.006) 7.969 28.720 ( 1.565 -14.377 16.144) 21.675 ======================= Grid point 607 (278/429) ======================= q-point: (-0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.626 ( -5.341 25.482 21.105) 33.515 4.129 ( -4.278 17.698 24.109) 30.212 4.664 ( 5.141 -3.923 3.568) 7.386 5.152 ( -4.557 13.649 -12.657) 19.164 5.385 ( -2.040 10.375 5.996) 12.155 5.867 ( -0.964 -0.816 -16.110) 16.159 6.026 ( 7.004 9.867 1.017) 12.142 6.887 ( -1.293 3.429 -2.893) 4.669 7.089 ( -18.800 6.512 -5.954) 20.768 7.649 ( 17.779 15.221 9.091) 25.108 8.388 ( -0.948 17.221 10.406) 20.143 9.155 ( -7.344 26.254 -7.194) 28.195 9.384 ( 6.382 20.720 6.977) 22.775 10.149 ( -1.696 13.692 1.792) 13.913 10.286 ( 2.919 16.890 -21.002) 27.109 10.556 ( -2.275 3.530 -3.002) 5.162 10.808 ( -3.874 17.433 -4.727) 18.473 11.586 ( 12.758 4.491 -2.275) 13.715 11.806 ( -7.801 -2.523 7.534) 11.135 12.095 ( -0.304 -16.014 5.222) 16.846 12.287 ( 9.036 3.250 11.650) 15.098 12.994 ( -7.341 -15.228 5.057) 17.645 13.677 ( -5.054 -6.594 -3.120) 8.875 13.964 ( -9.967 -19.577 -10.163) 24.205 14.366 ( 5.881 -8.041 -0.742) 9.990 14.807 ( -4.509 -7.756 1.865) 9.164 14.853 ( 6.148 20.509 -2.007) 21.504 15.571 ( 3.717 13.803 7.617) 16.197 18.692 ( 14.622 28.740 -1.401) 32.276 19.824 ( 0.923 -2.476 0.909) 2.794 21.344 ( -10.700 5.473 8.300) 14.606 22.282 ( 3.385 10.742 -28.621) 30.757 24.215 ( 19.880 12.110 -4.361) 23.683 24.781 ( -18.026 5.450 1.722) 18.911 27.931 ( -7.544 3.089 -0.241) 8.156 29.072 ( 2.872 -18.072 17.686) 25.449 ======================= Grid point 608 (279/429) ======================= q-point: (-0.21 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( -6.714 32.937 19.545) 38.883 3.853 ( -5.569 17.046 33.492) 37.991 4.607 ( 1.221 19.538 0.679) 19.587 4.896 ( -5.198 5.626 -10.213) 12.766 5.173 ( -1.930 7.810 2.096) 8.313 5.739 ( -5.160 16.869 -4.262) 18.149 5.776 ( 5.277 13.337 -2.443) 14.550 6.815 ( -8.522 7.259 4.607) 12.105 6.836 ( -3.769 0.900 -5.430) 6.671 7.571 ( 17.673 6.999 6.680) 20.148 8.158 ( -4.514 9.053 7.380) 12.523 8.697 ( 0.747 16.204 -13.675) 21.217 9.011 ( 5.526 23.344 8.103) 25.321 9.836 ( -2.732 17.283 -1.602) 17.571 9.945 ( 1.190 16.226 -20.119) 25.874 10.367 ( -3.606 16.529 -7.574) 18.535 10.523 ( -6.504 4.251 -0.681) 7.800 11.433 ( 4.341 14.108 -1.238) 14.813 11.764 ( -2.849 2.238 6.260) 7.232 12.333 ( 14.907 -0.488 15.430) 21.460 12.682 ( 0.280 -36.610 2.689) 36.710 13.285 ( -6.617 -17.017 7.669) 19.804 13.686 ( -2.239 -0.417 -8.448) 8.750 14.218 ( -8.966 -8.342 -10.152) 15.908 14.546 ( -2.500 -1.438 11.165) 11.532 14.578 ( 5.253 -3.191 -10.198) 11.907 15.005 ( -2.322 -12.613 -2.390) 13.045 15.419 ( 3.863 4.071 10.241) 11.678 18.139 ( 14.994 38.930 -1.072) 41.732 19.775 ( -7.244 7.445 1.381) 10.479 21.170 ( -2.488 9.712 4.998) 11.202 21.948 ( 0.603 20.140 -33.424) 39.028 24.095 ( 25.379 13.084 -5.739) 29.124 24.538 ( -21.084 8.441 4.034) 23.066 27.838 ( -7.369 1.986 0.142) 7.634 29.496 ( 4.512 -20.970 16.530) 27.080 ======================= Grid point 609 (280/429) ======================= q-point: (-0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -4.564 28.310 21.779) 36.008 3.356 ( -13.638 39.703 25.024) 48.873 4.147 ( 2.272 23.558 6.884) 24.648 4.714 ( -12.966 3.857 -14.520) 19.845 5.031 ( -2.053 16.285 12.838) 20.838 5.406 ( 1.986 6.808 11.618) 13.611 5.618 ( 4.993 6.283 -5.672) 9.827 6.648 ( -6.386 7.388 4.858) 10.907 6.844 ( 4.194 0.097 -8.488) 9.468 7.581 ( 8.212 1.202 4.369) 9.379 7.993 ( -3.023 6.656 2.779) 7.820 8.468 ( 11.345 15.528 -0.293) 19.233 8.686 ( -1.744 7.616 -3.587) 8.597 9.523 ( -3.659 11.411 -0.524) 11.995 9.614 ( 0.286 15.044 -20.135) 25.136 10.032 ( -5.210 14.069 -12.210) 19.344 10.414 ( -3.910 5.227 1.082) 6.617 11.175 ( -3.723 12.085 3.105) 13.021 11.703 ( 2.187 4.451 -3.382) 6.002 12.541 ( 18.032 -6.957 20.727) 28.340 13.279 ( -0.163 -16.903 -5.196) 17.685 13.550 ( -20.308 -18.862 13.978) 31.042 13.764 ( 7.927 -13.190 -7.642) 17.182 14.154 ( 8.083 5.616 1.524) 9.960 14.611 ( -15.476 -7.603 -5.214) 18.014 14.724 ( 3.273 -5.742 -1.561) 6.791 15.311 ( -4.464 -24.294 -2.780) 24.856 15.541 ( 6.025 -11.321 8.645) 15.466 17.409 ( 12.497 45.591 -2.202) 47.323 19.410 ( -18.464 24.488 -0.398) 30.672 20.952 ( 11.650 18.943 -7.992) 23.631 21.443 ( -6.467 21.573 -21.311) 31.006 24.016 ( 30.589 11.176 -6.029) 33.120 24.260 ( -22.503 7.535 6.342) 24.564 27.773 ( -6.594 0.665 0.934) 6.693 29.957 ( 5.439 -21.170 11.010) 24.474 ======================= Grid point 610 (281/429) ======================= q-point: (-0.07 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 2.003 12.954 23.573) 26.972 2.452 ( -15.911 42.495 17.390) 48.594 3.745 ( 0.712 21.825 1.601) 21.895 4.610 ( -12.175 -3.137 -12.881) 17.999 4.752 ( -2.766 11.047 37.989) 39.659 5.430 ( 2.720 -0.724 11.376) 11.719 5.598 ( 8.953 -0.710 -7.601) 11.765 6.437 ( -5.924 11.520 3.191) 13.341 6.827 ( 7.746 2.763 -8.828) 12.065 7.635 ( 2.897 -2.189 2.409) 4.358 7.905 ( -0.691 1.653 -0.266) 1.811 8.195 ( 8.443 16.530 6.168) 19.559 8.727 ( -2.189 -10.433 -5.095) 11.816 9.314 ( -1.182 12.359 -15.173) 19.605 9.403 ( 2.599 1.977 -0.146) 3.269 9.711 ( -8.204 12.097 -21.093) 25.662 10.287 ( -0.656 6.297 1.613) 6.534 10.980 ( -8.353 5.556 7.288) 12.400 11.623 ( 4.038 4.100 -8.311) 10.109 12.820 ( 15.176 -6.303 18.876) 25.026 13.346 ( 2.045 0.299 -9.607) 9.827 13.701 ( -22.957 -8.236 8.904) 25.965 14.140 ( 1.794 -7.338 7.654) 10.754 14.304 ( 14.806 -19.738 2.784) 24.831 14.612 ( -14.661 -4.324 -5.798) 16.348 14.819 ( 6.534 -1.370 -1.411) 6.823 15.633 ( -7.258 -9.816 0.628) 12.224 16.093 ( 11.044 -39.202 2.991) 40.837 16.651 ( 4.756 34.050 -5.617) 34.836 18.628 ( -20.778 43.732 -6.309) 48.826 20.472 ( 6.740 29.185 -10.189) 31.638 21.179 ( -2.375 3.633 -1.882) 4.731 23.986 ( 6.570 6.948 2.064) 9.782 24.075 ( 6.283 3.108 -2.328) 7.386 27.736 ( -5.610 -0.070 1.835) 5.903 30.349 ( 3.944 -14.433 2.330) 15.143 ======================= Grid point 612 (282/429) ======================= q-point: ( 0.07 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 6.386 0.000 15.505) 16.769 2.412 ( 32.418 0.000 16.900) 36.558 3.472 ( -0.538 -0.000 -1.452) 1.549 4.509 ( 1.499 0.000 -4.632) 4.868 4.868 ( 2.433 0.000 23.461) 23.587 5.569 ( 4.210 0.000 14.491) 15.090 5.700 ( 3.647 0.000 -5.904) 6.939 6.199 ( -7.022 -0.000 4.544) 8.365 6.894 ( 8.727 0.000 -11.151) 14.159 7.697 ( 1.047 0.000 0.673) 1.244 7.886 ( -1.296 -0.000 -0.590) 1.424 8.078 ( -2.733 -0.000 0.985) 2.905 8.907 ( 2.043 0.000 0.126) 2.047 9.085 ( -2.511 -0.000 0.735) 2.617 9.227 ( -8.896 -0.000 -27.321) 28.733 9.524 ( 10.423 0.000 -4.583) 11.387 10.232 ( 0.507 0.000 1.098) 1.209 10.770 ( -15.608 -0.000 9.981) 18.526 11.662 ( 10.848 0.000 -7.600) 13.245 12.962 ( -15.420 -0.000 8.344) 17.532 13.232 ( -10.746 -0.000 -5.948) 12.282 13.684 ( 5.768 0.000 15.172) 16.231 14.250 ( -11.160 -0.000 -0.957) 11.201 14.327 ( -4.872 -0.000 4.900) 6.910 14.773 ( 0.139 0.000 -1.316) 1.324 15.004 ( 14.711 0.000 0.043) 14.711 15.795 ( 9.796 0.000 3.208) 10.308 16.214 ( 3.682 0.000 -8.376) 9.149 16.808 ( -0.324 -0.000 0.804) 0.867 17.762 ( -2.698 -0.000 -2.919) 3.975 20.168 ( -0.432 -0.000 1.480) 1.542 21.148 ( 0.373 0.000 -1.222) 1.278 23.664 ( -17.728 -0.000 1.668) 17.806 24.554 ( 35.274 0.000 -15.113) 38.376 27.681 ( -2.911 -0.000 4.928) 5.724 30.438 ( -9.269 -0.000 -0.483) 9.282 ======================= Grid point 613 (283/429) ======================= q-point: ( 0.14 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 8.204 -20.311 10.440) 24.266 2.804 ( 30.493 -25.810 17.704) 43.697 3.795 ( 4.407 -28.477 -1.723) 28.868 4.477 ( 6.655 3.125 -3.052) 7.960 4.963 ( -0.144 -5.106 12.983) 13.952 5.574 ( 4.847 3.655 8.925) 10.794 5.695 ( 2.138 -0.023 -4.209) 4.721 6.345 ( -4.944 -14.216 8.174) 17.127 6.937 ( 8.080 -0.773 -10.847) 13.548 7.690 ( 0.527 0.349 -0.104) 0.640 7.869 ( -1.498 -1.276 0.418) 2.011 8.224 ( -7.837 -14.940 0.253) 16.873 8.649 ( -2.136 15.115 -0.074) 15.265 9.158 ( 0.203 -10.676 -20.376) 23.004 9.455 ( -5.282 -19.137 -0.587) 19.861 9.565 ( 11.180 0.136 -4.045) 11.890 10.303 ( 0.845 -5.522 1.590) 5.808 10.746 ( -16.790 -6.342 8.517) 19.866 11.768 ( 11.250 -5.251 -5.143) 13.438 12.794 ( -26.077 6.367 6.946) 27.727 13.157 ( -4.659 2.104 -1.136) 5.237 13.705 ( 8.248 5.355 13.012) 16.310 14.075 ( -11.570 8.056 -4.806) 14.895 14.285 ( -3.413 5.904 7.126) 9.863 14.516 ( -1.179 13.540 4.135) 14.207 15.093 ( 12.403 6.505 -6.607) 15.485 15.645 ( 4.542 19.024 5.896) 20.427 16.417 ( 19.137 28.929 -9.079) 35.855 16.659 ( 3.405 -38.829 -11.929) 40.762 18.192 ( -16.667 -35.439 14.840) 41.880 20.533 ( 4.854 -33.537 -8.691) 34.983 21.160 ( 1.116 -1.292 -0.709) 1.849 23.603 ( -16.706 -3.863 0.514) 17.154 24.754 ( 32.091 -3.069 -17.174) 36.527 27.676 ( -1.884 0.055 6.188) 6.469 30.260 ( -11.646 11.465 2.967) 16.610 ======================= Grid point 614 (284/429) ======================= q-point: ( 0.21 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.844 ( 13.231 -22.657 8.114) 27.464 3.667 ( 12.665 -39.067 22.854) 46.999 4.321 ( 3.437 -16.939 -2.483) 17.462 4.609 ( 18.636 -16.817 -10.353) 27.153 5.083 ( -6.869 -7.755 1.743) 10.505 5.544 ( 4.212 3.036 1.100) 5.308 5.749 ( 2.223 -5.261 -3.472) 6.684 6.590 ( -0.922 -10.550 9.757) 14.400 6.957 ( 7.963 1.509 -1.743) 8.290 7.743 ( -1.268 -6.110 -5.228) 8.141 7.954 ( 0.041 -8.314 4.347) 9.382 8.244 ( -10.944 4.876 -3.212) 12.405 8.703 ( -6.171 -22.613 0.310) 23.442 9.390 ( 1.312 -16.169 -17.384) 23.778 9.644 ( 9.888 -5.124 0.406) 11.144 9.794 ( -3.502 -17.300 2.678) 17.853 10.397 ( -0.311 -3.273 3.794) 5.021 10.878 ( -13.131 -15.585 4.683) 20.911 11.945 ( 8.866 -6.960 -0.937) 11.311 12.488 ( -21.537 10.985 5.487) 24.792 13.069 ( -7.374 4.986 2.151) 9.158 13.578 ( 4.860 13.051 6.562) 15.395 13.914 ( 3.883 6.124 -0.292) 7.257 14.071 ( -5.810 12.946 5.320) 15.155 14.410 ( -1.806 -1.226 -0.168) 2.190 14.863 ( 3.362 18.666 -4.695) 19.538 15.326 ( 8.132 16.685 1.841) 18.652 16.032 ( 20.541 21.723 -10.381) 31.648 17.445 ( -9.729 -44.697 -12.729) 47.482 18.809 ( -13.982 -33.605 24.768) 44.025 21.172 ( -1.237 -14.444 -0.909) 14.525 21.289 ( 14.431 -24.956 -17.272) 33.607 23.617 ( -16.146 -7.780 0.921) 17.946 24.966 ( 26.970 -4.220 -17.656) 32.511 27.686 ( -0.685 -0.741 7.466) 7.534 29.925 ( -11.456 16.898 6.969) 21.572 ======================= Grid point 615 (285/429) ======================= q-point: ( 0.29 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.410 ( 11.859 -26.586 8.870) 30.432 4.318 ( 4.257 -20.108 23.724) 31.389 4.573 ( 4.296 -12.231 -6.255) 14.394 5.018 ( -0.831 -10.292 -10.240) 14.542 5.205 ( 7.355 -5.801 -8.626) 12.734 5.574 ( 3.713 -8.492 -2.887) 9.708 5.864 ( -2.357 -6.726 -6.514) 9.655 6.768 ( 2.598 -6.482 5.590) 8.945 7.038 ( 13.327 -3.297 11.089) 17.648 7.784 ( -12.609 -5.190 -16.287) 21.242 8.100 ( -0.660 -4.639 7.392) 8.752 8.365 ( 0.082 -23.290 6.503) 24.181 9.136 ( -12.672 -26.677 -0.546) 29.539 9.691 ( 2.598 -17.447 -14.697) 22.960 9.865 ( 8.215 -11.719 3.522) 14.739 10.106 ( -3.678 -16.982 6.312) 18.486 10.473 ( 0.199 -5.839 1.607) 6.059 11.149 ( -8.529 -17.611 2.477) 19.724 12.071 ( -9.795 0.394 10.794) 14.581 12.213 ( 7.287 8.014 -4.380) 11.684 12.862 ( -15.741 8.177 -4.678) 18.345 13.401 ( 9.702 11.746 10.052) 18.252 13.758 ( 5.169 16.321 -4.449) 17.689 13.811 ( 3.192 11.158 5.972) 13.052 14.522 ( -2.668 -11.420 -3.704) 12.299 14.538 ( -3.749 14.024 1.060) 14.555 15.114 ( 4.491 9.572 -1.690) 10.708 15.827 ( 11.750 7.881 -7.149) 15.852 18.116 ( -16.376 -36.473 -9.950) 41.200 19.309 ( -8.434 -20.432 20.177) 29.929 21.312 ( 4.982 -5.173 6.222) 9.503 21.875 ( 13.484 -24.946 -23.821) 37.034 23.712 ( -15.112 -11.674 2.151) 19.217 25.149 ( 21.531 -3.097 -16.125) 27.077 27.729 ( 0.447 -2.285 8.509) 8.821 29.545 ( -9.746 17.850 8.472) 22.032 ======================= Grid point 616 (286/429) ======================= q-point: ( 0.36 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.972 ( 10.717 -22.865 10.544) 27.366 4.662 ( 1.965 -10.890 11.662) 16.077 4.799 ( 4.134 -11.496 -9.031) 15.193 5.028 ( -13.609 -1.652 -9.124) 16.468 5.188 ( 6.699 7.489 3.121) 10.522 5.838 ( -4.347 -12.400 -8.590) 15.699 5.970 ( 3.393 -7.244 -6.230) 10.139 6.881 ( 2.963 -2.919 1.581) 4.450 7.186 ( 15.464 1.568 7.109) 17.092 7.861 ( -14.988 -14.193 -13.407) 24.614 8.282 ( 0.616 -14.794 11.918) 19.007 8.914 ( 0.370 -29.490 12.761) 32.135 9.529 ( -11.798 -23.052 -2.892) 26.057 10.008 ( 7.030 -13.772 -4.049) 15.984 10.148 ( 0.721 -14.591 -2.319) 14.792 10.395 ( -2.517 -14.169 9.536) 17.263 10.673 ( 2.970 -14.116 -3.612) 14.870 11.395 ( -6.964 -10.949 0.151) 12.977 11.838 ( -4.330 11.752 3.269) 12.944 12.292 ( 11.247 -3.470 2.303) 11.993 12.638 ( -17.685 2.929 -10.298) 20.673 13.221 ( 11.067 16.129 6.681) 20.670 13.465 ( 7.017 17.202 9.274) 20.764 13.674 ( 4.203 6.693 -1.581) 8.059 14.284 ( -8.134 8.988 1.724) 12.245 14.701 ( -0.113 -5.194 -3.759) 6.412 15.075 ( -0.502 -7.410 -2.706) 7.904 15.832 ( 4.141 -3.576 -4.792) 7.274 18.600 ( -16.188 -26.950 -6.119) 32.028 19.550 ( -6.490 -7.341 11.605) 15.188 21.447 ( 7.684 -3.040 8.375) 11.765 22.265 ( 11.795 -13.359 -21.954) 28.276 23.879 ( -12.492 -13.540 3.099) 18.681 25.263 ( 16.424 -0.044 -13.215) 21.080 27.808 ( 1.112 -3.734 9.096) 9.896 29.181 ( -7.544 16.734 7.810) 19.949 ======================= Grid point 617 (287/429) ======================= q-point: ( 0.43 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.398 ( 11.253 -12.294 10.209) 19.545 4.736 ( -7.318 0.687 -9.701) 12.171 4.907 ( 2.443 5.290 -8.679) 10.454 5.040 ( -5.099 -8.244 14.094) 17.106 5.225 ( 1.484 -11.362 2.037) 11.638 5.940 ( -13.399 -7.562 -4.188) 15.945 6.109 ( 7.828 -3.726 -9.859) 13.129 6.925 ( 1.935 -0.258 2.544) 3.206 7.206 ( 9.607 2.999 -0.529) 10.078 7.957 ( -10.577 -5.348 -7.352) 13.947 8.721 ( 2.600 -24.696 13.994) 28.504 9.450 ( -1.930 -23.798 15.581) 28.510 9.861 ( -7.779 -18.362 -4.497) 20.443 10.227 ( 2.441 -7.207 9.201) 11.939 10.433 ( 5.374 -14.076 -13.510) 20.237 10.637 ( -2.684 -9.771 11.188) 15.094 10.966 ( 4.807 -14.942 -9.114) 18.150 11.405 ( -4.860 4.105 -5.588) 8.467 11.727 ( -2.624 -0.045 1.476) 3.011 12.437 ( 2.434 -4.335 4.028) 6.399 12.490 ( -3.884 1.855 -9.241) 10.194 12.997 ( 7.711 12.999 0.705) 15.131 13.258 ( 5.856 10.294 13.526) 17.979 13.526 ( 0.964 12.845 2.840) 13.191 14.167 ( -8.059 -2.914 -0.690) 8.597 14.700 ( 0.140 2.103 -2.444) 3.227 15.343 ( -0.729 -18.382 -2.597) 18.579 15.940 ( -0.259 -6.121 -3.336) 6.976 18.937 ( -12.689 -19.135 -3.081) 23.166 19.596 ( -4.177 -0.359 4.970) 6.503 21.530 ( 6.504 0.479 8.681) 10.858 22.456 ( 9.263 -5.232 -19.286) 22.025 24.067 ( -8.748 -11.792 3.519) 15.099 25.290 ( 11.414 3.456 -9.877) 15.485 27.912 ( 1.011 -4.679 9.300) 10.460 28.859 ( -5.583 14.713 6.182) 16.908 ======================= Grid point 618 (288/429) ======================= q-point: ( 0.50 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.540 ( 7.184 5.054 -0.009) 8.784 4.637 ( -6.754 2.871 3.768) 8.250 4.826 ( 1.442 0.194 -5.740) 5.921 5.216 ( -3.167 -9.241 17.227) 19.804 5.483 ( 0.295 -12.146 -2.660) 12.438 5.972 ( -12.075 -4.172 -0.555) 12.787 6.164 ( 6.692 -0.343 -11.896) 13.653 6.940 ( 1.423 -0.116 2.219) 2.638 7.207 ( 5.323 1.192 -3.265) 6.357 7.949 ( -7.915 -1.566 -3.197) 8.678 9.182 ( 5.369 -17.184 13.690) 22.617 9.828 ( -1.151 -14.017 14.992) 20.556 10.063 ( -9.628 -8.482 -2.092) 13.001 10.406 ( 0.414 -7.789 9.544) 12.326 10.606 ( 4.473 -5.441 -13.743) 15.443 10.793 ( 3.726 -4.250 4.282) 7.091 11.187 ( 0.551 -0.997 -3.522) 3.702 11.300 ( -1.350 -3.629 -14.060) 14.583 11.713 ( -3.061 -0.262 1.518) 3.427 12.335 ( -1.347 5.737 -6.575) 8.829 12.669 ( 8.402 -10.375 5.108) 14.294 12.833 ( 3.241 7.419 2.191) 8.387 13.126 ( -0.967 14.434 4.869) 15.264 13.282 ( -2.027 6.061 7.714) 10.018 14.261 ( -5.415 -9.114 -0.216) 10.604 14.655 ( -0.261 2.207 -1.776) 2.845 15.671 ( 0.616 -15.684 -0.904) 15.722 16.002 ( -1.169 -0.529 -2.535) 2.841 19.179 ( -7.837 -13.747 -1.104) 15.862 19.564 ( -0.627 2.399 0.693) 2.574 21.541 ( 2.453 2.628 8.366) 9.106 22.524 ( 7.186 -1.125 -17.774) 19.205 24.225 ( -4.754 -8.452 3.570) 10.333 25.236 ( 6.232 5.893 -6.689) 10.877 28.030 ( 0.104 -5.505 9.289) 10.799 28.590 ( -4.148 11.584 4.809) 13.210 ======================= Grid point 619 (289/429) ======================= q-point: (-0.43 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.462 ( 6.171 4.756 -0.355) 7.799 4.495 ( -6.331 8.712 11.404) 15.685 4.862 ( 0.357 -1.186 -2.358) 2.664 5.377 ( -2.315 -5.563 14.358) 15.571 5.624 ( -0.805 -3.215 -4.271) 5.406 5.954 ( -7.284 0.149 1.915) 7.533 6.175 ( 6.754 0.514 -11.678) 13.500 6.956 ( 0.421 -0.668 0.466) 0.917 7.203 ( 0.476 0.322 -6.793) 6.817 7.935 ( -2.692 -0.591 1.154) 2.988 9.426 ( 5.706 -1.097 11.445) 12.835 10.015 ( 0.052 -3.538 10.105) 10.706 10.085 ( -12.281 -1.122 1.167) 12.388 10.468 ( 0.151 2.161 8.049) 8.335 10.699 ( 4.875 0.789 -8.461) 9.797 10.832 ( 3.553 -1.603 -5.019) 6.355 11.096 ( -6.193 2.494 -3.429) 7.506 11.402 ( 6.966 -3.180 -11.856) 14.114 11.744 ( -0.104 -3.841 3.295) 5.062 12.202 ( 1.632 7.544 -2.917) 8.252 12.716 ( -3.344 10.589 2.617) 11.408 12.791 ( -2.342 8.773 1.768) 9.251 13.001 ( 5.667 -16.283 5.332) 18.047 13.264 ( -3.104 -0.764 6.261) 7.030 14.384 ( -2.003 -5.104 -0.542) 5.509 14.596 ( -2.296 2.927 -0.944) 3.838 15.900 ( 2.658 -3.302 -0.788) 4.312 15.922 ( -0.665 4.527 -0.072) 4.576 19.377 ( -2.852 -11.062 -0.087) 11.424 19.505 ( 3.598 4.878 -1.609) 6.272 21.502 ( -2.944 2.771 8.041) 9.000 22.530 ( 5.731 0.726 -17.715) 18.633 24.346 ( -0.247 -5.308 2.857) 6.033 25.125 ( 0.793 6.806 -3.857) 7.863 28.134 ( -2.471 -2.864 7.160) 8.098 28.421 ( -1.997 3.450 6.575) 7.689 ======================= Grid point 620 (290/429) ======================= q-point: (-0.36 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.291 ( -0.825 13.085 18.652) 22.799 4.467 ( 2.776 -1.868 0.896) 3.464 4.797 ( -2.241 8.518 5.201) 10.229 5.434 ( -5.235 -0.410 -0.061) 5.251 5.609 ( 1.884 2.928 2.525) 4.301 5.891 ( -1.811 3.483 -2.564) 4.689 6.189 ( 7.675 0.675 -8.012) 11.115 6.964 ( -0.527 0.048 -0.859) 1.009 7.164 ( -6.206 0.630 -10.302) 12.043 7.938 ( 3.112 1.378 5.003) 6.051 9.302 ( 4.276 18.466 8.057) 20.596 9.921 ( -14.044 10.850 1.749) 17.833 10.008 ( 2.454 7.663 8.494) 11.700 10.420 ( 0.477 3.601 7.195) 8.059 10.652 ( 5.554 5.256 -10.162) 12.718 10.864 ( -4.750 -3.634 -4.406) 7.428 10.982 ( -0.746 7.049 -7.541) 10.350 11.451 ( 7.647 1.014 -6.503) 10.089 11.877 ( 8.022 -5.571 2.029) 9.975 12.081 ( -0.943 3.632 4.925) 6.192 12.409 ( -7.419 12.134 2.399) 14.424 12.773 ( -2.597 -1.300 2.072) 3.568 13.271 ( -7.860 -4.682 4.426) 10.163 13.377 ( 5.136 -16.554 1.934) 17.440 14.382 ( 3.141 5.083 -3.172) 6.765 14.564 ( -5.808 -3.249 0.676) 6.690 15.668 ( 1.764 17.208 -1.974) 17.411 15.971 ( 3.135 2.867 3.681) 5.621 19.399 ( 7.102 9.674 -1.953) 12.159 19.570 ( 1.147 -9.681 0.004) 9.748 21.438 ( -7.890 2.136 7.782) 11.286 22.498 ( 4.846 2.377 -19.128) 19.875 24.433 ( 5.686 -1.692 0.856) 5.994 24.978 ( -5.171 6.883 -1.404) 8.723 28.085 ( -5.475 4.586 2.074) 7.437 28.516 ( 0.341 -10.096 12.561) 16.119 ======================= Grid point 621 (291/429) ======================= q-point: (-0.29 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.046 ( -2.185 16.975 21.084) 27.156 4.475 ( -0.852 12.714 14.565) 19.352 4.630 ( 3.875 -0.069 4.216) 5.727 5.307 ( -5.212 8.203 -14.052) 17.086 5.565 ( 1.087 6.340 11.129) 12.854 5.822 ( 0.443 0.791 -10.976) 11.014 6.194 ( 8.893 3.342 -3.988) 10.303 6.936 ( -0.724 2.399 -2.087) 3.262 7.055 ( -14.124 2.816 -10.135) 17.611 7.927 ( 9.034 4.908 7.197) 12.550 8.882 ( 4.389 28.038 8.656) 29.670 9.525 ( -15.609 21.248 -1.933) 26.436 9.810 ( 6.789 16.690 9.274) 20.265 10.336 ( -2.608 7.101 3.590) 8.373 10.515 ( 3.760 8.915 -13.960) 16.985 10.712 ( 0.241 13.813 -6.702) 15.355 10.970 ( -5.097 -0.778 -4.469) 6.823 11.484 ( 5.356 -6.143 -3.390) 8.827 11.869 ( 6.806 7.673 0.955) 10.300 12.070 ( -8.480 5.228 8.262) 12.942 12.350 ( 8.901 -7.112 8.579) 14.262 12.780 ( -4.048 -2.754 3.037) 5.761 13.383 ( -10.477 -13.468 -1.464) 17.125 13.670 ( -0.743 -11.276 -1.300) 11.375 14.318 ( 4.352 0.683 -3.978) 5.936 14.632 ( -4.640 -6.628 0.647) 8.117 15.304 ( 3.380 21.883 -1.096) 22.170 15.860 ( 3.874 11.394 5.537) 13.247 19.197 ( 10.234 17.218 -1.592) 20.093 19.740 ( 1.029 -6.917 0.402) 7.005 21.357 ( -10.240 2.328 7.585) 12.954 22.413 ( 4.531 5.913 -22.426) 23.631 24.472 ( 13.837 3.661 -2.586) 14.544 24.797 ( -12.142 6.909 0.985) 14.005 27.963 ( -6.139 4.557 0.972) 7.708 28.793 ( 0.711 -15.574 15.258) 21.814 ======================= Grid point 622 (292/429) ======================= q-point: (-0.21 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.651 ( -3.776 27.585 20.128) 34.356 4.194 ( -0.862 16.014 25.738) 30.326 4.754 ( 7.821 -3.509 3.647) 9.316 5.047 ( -4.039 12.785 -15.348) 20.380 5.383 ( -2.119 13.492 6.292) 15.037 5.803 ( -0.303 1.028 -13.823) 13.864 6.114 ( 7.388 11.164 -1.241) 13.445 6.840 ( -8.982 5.033 -6.883) 12.385 6.886 ( -7.304 4.319 1.857) 8.686 7.880 ( 14.814 9.155 7.798) 19.081 8.425 ( 1.441 21.678 8.593) 23.363 8.992 ( -13.086 22.423 -10.318) 27.937 9.520 ( 9.118 21.252 11.844) 25.982 10.119 ( -4.110 13.877 -0.292) 14.475 10.246 ( 3.096 17.798 -19.029) 26.238 10.527 ( -1.073 4.698 -2.537) 5.446 10.720 ( -7.462 18.913 -4.367) 20.795 11.705 ( 0.624 12.959 1.673) 13.081 11.748 ( 2.507 -9.115 1.527) 9.576 12.070 ( -4.564 -18.086 3.033) 18.898 12.487 ( 13.000 2.709 16.831) 21.439 12.961 ( -0.300 -16.489 2.084) 16.623 13.595 ( -8.047 -11.148 -2.801) 14.031 13.813 ( -8.091 -11.966 -10.276) 17.727 14.420 ( 4.081 -8.029 -2.030) 9.233 14.749 ( -5.607 -6.868 1.725) 9.033 14.919 ( 5.945 18.690 -1.139) 19.645 15.649 ( 4.421 13.168 6.924) 15.520 18.845 ( 11.821 27.127 -1.196) 29.615 19.809 ( -4.527 -0.060 1.830) 4.883 21.261 ( -7.770 3.488 6.778) 10.885 22.221 ( 4.488 12.983 -27.670) 30.892 24.443 ( 22.246 9.635 -6.721) 25.157 24.579 ( -18.241 7.134 3.759) 19.944 27.851 ( -6.204 3.564 0.985) 7.222 29.159 ( 1.027 -19.375 16.287) 25.332 ======================= Grid point 623 (293/429) ======================= q-point: (-0.14 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( -1.698 32.845 20.255) 38.626 3.926 ( -2.469 20.568 30.707) 37.042 4.655 ( 7.855 22.789 -2.519) 24.236 4.769 ( -7.999 10.137 -12.194) 17.760 5.186 ( 1.377 3.817 3.946) 5.660 5.662 ( -3.461 11.557 -6.235) 13.580 5.851 ( 6.360 17.014 -0.035) 18.164 6.719 ( -8.220 2.581 6.534) 10.813 6.816 ( 0.609 0.231 -3.705) 3.761 7.780 ( 13.397 11.010 5.781) 18.279 8.138 ( -3.297 10.863 7.094) 13.386 8.589 ( -6.919 9.294 -18.438) 21.777 9.153 ( 9.597 25.902 13.309) 30.662 9.777 ( -5.810 17.509 -2.729) 18.648 9.884 ( 1.691 17.381 -20.366) 26.827 10.291 ( -5.333 18.391 -5.240) 19.853 10.458 ( -3.878 2.553 0.470) 4.667 11.414 ( -7.081 14.957 4.913) 17.262 11.801 ( 7.505 3.045 -3.557) 8.846 12.573 ( 8.966 -2.799 21.539) 23.498 12.634 ( -5.450 -35.963 3.111) 36.506 13.282 ( 1.695 -14.161 2.309) 14.448 13.654 ( 1.948 -2.341 -8.146) 8.696 14.043 ( -12.909 -17.269 -9.535) 23.575 14.574 ( -0.327 12.079 6.796) 13.863 14.604 ( 3.834 -8.412 -4.368) 10.225 14.961 ( -1.977 -11.727 -2.485) 12.149 15.518 ( 6.768 3.296 6.761) 10.118 18.292 ( 11.329 38.655 -1.933) 40.327 19.652 ( -15.170 12.303 4.882) 20.133 21.171 ( -0.060 4.480 3.538) 5.709 21.847 ( 3.574 23.548 -31.325) 39.351 24.296 ( -14.610 9.245 2.768) 17.509 24.398 ( 22.056 10.601 -6.351) 25.282 27.765 ( -5.682 2.096 1.652) 6.278 29.586 ( 0.807 -21.847 14.459) 26.211 ======================= Grid point 624 (294/429) ======================= q-point: (-0.07 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 3.503 27.023 20.878) 34.328 3.334 ( -3.324 45.762 20.299) 50.173 4.228 ( 7.264 24.778 4.323) 26.180 4.529 ( -8.249 5.021 -13.366) 16.490 5.069 ( -0.116 14.652 12.639) 19.350 5.464 ( 1.628 2.793 7.154) 7.850 5.674 ( 6.311 5.836 -2.688) 9.007 6.600 ( -5.255 7.705 6.853) 11.573 6.861 ( 4.075 -2.332 -7.470) 8.823 7.681 ( 6.105 5.525 3.481) 8.939 7.967 ( -2.719 6.190 2.205) 7.111 8.485 ( -3.015 -1.813 -11.793) 12.307 8.723 ( 4.120 23.621 7.538) 25.134 9.483 ( -1.080 9.748 -5.506) 11.247 9.549 ( 1.306 13.899 -17.145) 22.110 9.929 ( -5.952 16.336 -6.985) 18.737 10.386 ( -1.880 4.008 2.042) 4.876 11.110 ( -9.812 12.337 7.002) 17.249 11.746 ( 8.427 6.019 -8.141) 13.173 12.775 ( 5.370 -8.518 21.245) 23.510 13.159 ( -14.863 -20.492 1.747) 25.375 13.459 ( -2.340 -5.843 6.249) 8.869 13.836 ( 7.736 -16.045 -6.912) 19.106 14.231 ( 2.158 -9.278 -2.830) 9.937 14.439 ( -9.696 0.940 1.234) 9.820 14.771 ( 5.887 -7.104 -2.313) 9.511 15.240 ( -3.975 -20.567 -1.374) 20.993 15.680 ( 12.532 -14.039 2.369) 18.967 17.521 ( 8.199 47.423 -4.653) 48.351 19.165 ( -23.979 28.220 7.009) 37.689 21.064 ( 13.036 16.871 -10.401) 23.723 21.305 ( -4.770 21.291 -15.774) 26.923 24.030 ( -20.850 7.714 5.774) 22.969 24.359 ( 32.778 8.853 -10.623) 35.575 27.713 ( -4.777 0.598 2.671) 5.505 30.021 ( -0.941 -20.921 8.889) 22.751 ======================= Grid point 627 (295/429) ======================= q-point: ( 0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 12.405 0.000 13.202) 18.116 2.930 ( 44.408 0.000 12.237) 46.063 3.463 ( -0.373 -0.000 -0.832) 0.911 4.565 ( 8.876 0.000 -1.038) 8.936 4.941 ( -0.777 -0.000 7.988) 8.026 5.695 ( 5.348 0.000 10.842) 12.089 5.705 ( 4.733 0.000 -1.331) 4.916 6.135 ( -7.056 -0.000 5.507) 8.951 6.948 ( 8.120 0.000 -12.637) 15.021 7.704 ( 0.116 0.000 -0.637) 0.648 7.867 ( -1.752 -0.000 -0.115) 1.756 8.017 ( -6.963 -0.000 -2.237) 7.313 8.946 ( 2.414 0.000 6.684) 7.107 9.040 ( -6.352 -0.000 -23.521) 24.364 9.066 ( -1.805 -0.000 2.813) 3.342 9.642 ( 12.757 0.000 -6.316) 14.235 10.240 ( 0.392 0.000 0.468) 0.610 10.600 ( -19.642 -0.000 9.883) 21.988 11.770 ( 9.148 0.000 -1.619) 9.290 12.704 ( -26.780 -0.000 1.403) 26.816 13.143 ( -5.149 -0.000 -0.931) 5.233 13.807 ( 4.561 0.000 11.113) 12.012 14.065 ( -12.549 -0.000 -3.623) 13.061 14.365 ( 2.186 0.000 8.638) 8.910 14.768 ( -0.066 -0.000 -1.284) 1.286 15.128 ( 6.037 0.000 3.319) 6.890 15.791 ( -10.536 -0.000 0.336) 10.542 16.417 ( 33.875 0.000 -5.289) 34.285 16.807 ( -0.352 -0.000 0.809) 0.882 17.751 ( 1.409 0.000 -2.873) 3.199 20.169 ( -0.377 -0.000 1.506) 1.552 21.148 ( 0.391 0.000 -1.202) 1.264 23.475 ( -14.306 -0.000 -1.859) 14.426 24.876 ( 30.477 0.000 -18.957) 35.892 27.682 ( -1.000 -0.000 7.489) 7.555 30.294 ( -15.351 -0.000 1.819) 15.459 ======================= Grid point 628 (296/429) ======================= q-point: ( 0.21 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 14.877 -21.761 7.401) 27.380 3.216 ( 25.913 -14.590 15.016) 33.314 3.875 ( 11.519 -30.290 -0.154) 32.407 4.586 ( 12.286 1.781 -2.437) 12.652 4.951 ( -6.840 -2.077 2.636) 7.619 5.654 ( 2.864 4.894 -3.746) 6.796 5.730 ( 8.531 0.872 4.836) 9.845 6.333 ( -2.617 -16.866 9.823) 19.692 6.990 ( 7.985 -1.541 -10.764) 13.491 7.681 ( -1.248 1.020 -2.910) 3.327 7.859 ( -0.730 -2.544 1.444) 3.014 8.098 ( -12.325 -10.424 -2.673) 16.362 8.635 ( -0.800 14.756 2.233) 14.945 9.095 ( 1.033 -11.529 -16.273) 19.970 9.421 ( -2.621 -19.848 6.179) 20.952 9.687 ( 12.504 0.778 -5.528) 13.693 10.320 ( 0.646 -5.782 1.991) 6.149 10.562 ( -19.278 -7.856 7.598) 22.160 11.862 ( 2.990 -5.192 3.589) 6.984 12.511 ( -20.062 4.668 -2.534) 20.754 13.088 ( -9.125 2.074 1.056) 9.417 13.837 ( 6.171 4.624 11.181) 13.582 13.931 ( -7.245 3.484 -6.269) 10.195 14.298 ( -1.208 10.821 9.164) 14.232 14.512 ( -1.841 12.162 6.255) 13.800 15.178 ( 6.969 8.578 -6.403) 12.773 15.707 ( 0.866 12.438 7.476) 14.537 16.541 ( 2.664 -3.281 -4.034) 5.843 16.753 ( 27.616 4.172 -24.725) 37.301 18.092 ( -12.341 -34.389 21.322) 42.303 20.556 ( 3.812 -34.370 -6.545) 35.194 21.176 ( 2.239 -3.132 -1.430) 4.107 23.425 ( -12.894 -3.467 -2.389) 13.564 25.029 ( 26.865 -2.057 -19.631) 33.337 27.694 ( 0.053 -0.056 8.836) 8.836 30.109 ( -16.180 9.512 3.959) 19.182 ======================= Grid point 629 (297/429) ======================= q-point: ( 0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 19.753 -21.265 2.883) 29.167 3.869 ( 6.324 -33.726 20.925) 40.191 4.392 ( 7.969 -12.640 4.563) 15.623 4.775 ( 13.116 -14.963 -13.742) 24.182 4.979 ( -5.688 -9.271 -5.256) 12.080 5.579 ( 0.259 3.244 -2.490) 4.098 5.788 ( 8.172 -0.855 -2.992) 8.744 6.632 ( 2.202 -11.683 8.375) 14.542 7.062 ( 10.072 -2.628 0.372) 10.415 7.672 ( -5.773 -1.278 -10.558) 12.100 7.985 ( 1.894 -9.727 5.764) 11.464 8.100 ( -12.470 -1.849 1.579) 12.705 8.642 ( -3.477 -15.733 -0.252) 16.115 9.346 ( 1.100 -16.410 -13.164) 21.066 9.759 ( 4.201 -12.305 7.329) 14.926 9.790 ( 5.048 -9.914 -1.665) 11.249 10.386 ( -5.809 -3.041 5.772) 8.735 10.755 ( -8.830 -18.519 2.097) 20.623 11.967 ( -11.791 -5.431 11.317) 17.222 12.344 ( 1.050 4.194 -7.864) 8.974 12.927 ( -16.653 7.810 -0.331) 18.397 13.674 ( 8.689 11.796 3.718) 15.115 13.949 ( -1.627 -0.351 6.761) 6.963 14.068 ( 1.466 12.042 6.830) 13.922 14.385 ( -1.965 2.133 1.010) 3.071 14.881 ( 2.609 21.118 -3.847) 21.624 15.416 ( 6.316 18.273 -0.024) 19.334 16.236 ( 21.624 26.711 -15.053) 37.519 17.247 ( -15.206 -40.941 -11.520) 45.167 18.782 ( -7.598 -34.749 25.793) 43.938 21.166 ( -0.211 -18.454 1.434) 18.511 21.391 ( 13.841 -23.970 -16.238) 32.091 23.448 ( -12.483 -7.392 -1.200) 14.557 25.186 ( 22.363 -2.841 -18.684) 29.279 27.723 ( 1.182 -0.856 10.068) 10.173 29.796 ( -14.542 14.295 6.036) 21.266 ======================= Grid point 630 (298/429) ======================= q-point: ( 0.36 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.611 ( 18.341 -24.180 4.015) 30.614 4.429 ( 0.052 -18.393 18.002) 25.736 4.624 ( 7.624 -9.965 -3.581) 13.048 4.871 ( -15.422 -4.075 -4.244) 16.506 5.309 ( 15.087 -7.453 -14.944) 22.506 5.569 ( -5.676 -7.700 -1.348) 9.660 5.845 ( 4.803 -4.041 -6.992) 9.396 6.825 ( 4.407 -5.902 2.621) 7.818 7.264 ( 17.018 -8.031 13.339) 23.066 7.555 ( -14.993 0.111 -17.437) 22.997 8.112 ( -2.761 -6.994 7.041) 10.302 8.401 ( 1.166 -26.017 10.021) 27.904 9.006 ( -8.032 -24.089 -1.966) 25.469 9.668 ( 2.266 -19.489 -11.655) 22.821 9.976 ( 8.086 -8.776 1.451) 12.021 10.101 ( -2.306 -16.912 9.996) 19.780 10.457 ( -4.382 -8.333 1.703) 9.568 11.078 ( -4.171 -17.915 1.077) 18.426 11.937 ( -16.256 1.283 10.093) 19.178 12.352 ( 15.087 0.560 -3.636) 15.529 12.624 ( -19.578 9.986 -7.383) 23.185 13.564 ( 11.176 9.017 9.915) 17.450 13.780 ( -0.024 14.216 1.423) 14.287 13.908 ( 8.011 12.561 7.124) 16.514 14.476 ( -2.511 -11.094 -3.784) 11.987 14.502 ( -2.963 16.113 0.895) 16.408 15.131 ( 0.465 12.383 -4.238) 13.097 15.931 ( 11.270 12.147 -11.163) 19.979 17.881 ( -17.203 -36.981 -7.264) 41.428 19.298 ( -6.258 -19.044 18.329) 27.162 21.396 ( 4.477 -8.316 7.955) 12.348 21.949 ( 14.034 -23.941 -22.778) 35.902 23.560 ( -11.837 -12.101 0.900) 16.952 25.317 ( 17.687 -1.771 -16.221) 24.064 27.781 ( 2.082 -2.184 10.889) 11.299 29.446 ( -11.757 15.444 6.496) 20.468 ======================= Grid point 631 (299/429) ======================= q-point: ( 0.43 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.160 ( 16.048 -21.218 5.837) 27.237 4.649 ( -8.611 -4.304 -4.636) 10.685 4.836 ( 5.779 -8.499 -9.664) 14.108 4.867 ( -8.216 -7.174 6.458) 12.676 5.299 ( 8.326 7.720 6.809) 13.240 5.683 ( -14.983 -8.678 -3.204) 17.608 6.014 ( 7.090 -8.810 -12.851) 17.118 6.924 ( 3.372 -2.077 1.343) 4.182 7.312 ( 0.510 5.138 -6.137) 8.020 7.719 ( -0.219 -15.187 0.630) 15.202 8.335 ( 1.164 -18.015 11.772) 21.551 8.966 ( -0.375 -28.863 14.585) 32.341 9.414 ( -4.943 -23.447 -4.380) 24.359 10.069 ( 6.744 -21.447 -8.721) 24.115 10.145 ( -1.501 -6.529 3.630) 7.620 10.409 ( -1.772 -14.364 10.850) 18.088 10.676 ( 0.242 -15.360 -5.036) 16.166 11.330 ( -3.631 -9.352 -0.607) 10.050 11.797 ( -4.826 6.907 3.694) 9.200 12.371 ( -15.715 1.238 -4.417) 16.371 12.454 ( 9.373 -1.934 -3.814) 10.302 13.370 ( 10.333 19.114 5.128) 22.325 13.581 ( 6.367 12.238 11.074) 17.690 13.736 ( 6.709 8.818 0.062) 11.080 14.182 ( -10.786 11.163 3.089) 15.827 14.687 ( 0.449 -5.512 -4.557) 7.166 15.032 ( -4.368 -7.970 -4.167) 9.998 15.858 ( 4.127 -0.611 -7.801) 8.846 18.398 ( -14.421 -28.815 -4.192) 32.494 19.520 ( -5.567 -6.633 10.253) 13.421 21.563 ( 6.109 -3.693 9.285) 11.712 22.321 ( 11.766 -12.142 -21.791) 27.581 23.761 ( -9.365 -14.889 2.373) 17.748 25.387 ( 13.007 1.235 -12.902) 18.362 27.867 ( 2.390 -3.234 11.104) 11.810 29.110 ( -8.908 14.843 5.668) 18.215 ======================= Grid point 632 (300/429) ======================= q-point: ( 0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.527 ( -6.606 -1.128 -10.711) 12.635 4.602 ( 5.325 -8.290 3.972) 10.624 4.899 ( 2.380 -0.662 -5.834) 6.336 5.072 ( -0.235 -7.075 13.093) 14.885 5.295 ( 6.904 -4.876 5.719) 10.205 5.751 ( -17.073 -9.037 0.477) 19.323 6.141 ( 5.309 -3.763 -13.660) 15.131 6.959 ( 1.857 0.161 2.675) 3.260 7.225 ( -3.817 1.294 -10.017) 10.798 7.876 ( -0.642 -3.282 3.099) 4.559 8.833 ( 7.287 -25.409 13.415) 29.642 9.489 ( -2.566 -23.718 17.831) 29.784 9.782 ( -2.110 -16.895 -5.645) 17.938 10.257 ( -2.085 -7.805 5.652) 9.860 10.461 ( 6.536 -13.646 -9.048) 17.629 10.636 ( -4.161 -10.717 9.801) 15.107 10.974 ( 2.973 -16.326 -11.495) 20.187 11.337 ( -2.997 4.969 -4.200) 7.163 11.710 ( -1.245 1.378 0.931) 2.077 12.300 ( -12.552 -3.075 -8.597) 15.522 12.580 ( 8.999 -5.429 4.239) 11.332 13.096 ( 8.378 15.816 1.883) 17.997 13.371 ( 5.283 13.259 11.714) 18.465 13.564 ( 2.968 16.386 3.617) 17.040 14.060 ( -9.746 -5.655 0.072) 11.268 14.677 ( -2.103 1.602 -3.468) 4.361 15.319 ( -1.533 -20.128 -2.435) 20.333 15.925 ( 0.371 -5.018 -5.250) 7.272 18.792 ( -10.210 -21.499 -2.111) 23.893 19.569 ( -3.473 -0.938 4.512) 5.771 21.630 ( 4.576 1.739 9.089) 10.324 22.489 ( 8.788 -4.234 -19.558) 21.855 23.993 ( -5.932 -13.302 2.913) 14.853 25.370 ( 8.432 4.857 -9.428) 13.549 27.967 ( 1.910 -3.793 10.900) 11.698 28.807 ( -6.615 13.376 4.345) 15.543 ======================= Grid point 633 (301/429) ======================= q-point: ( 0.57 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.398 ( -14.990 0.863 -7.719) 16.882 4.781 ( 11.852 0.186 3.369) 12.323 4.838 ( 5.063 6.359 1.604) 8.285 5.248 ( -2.248 -9.533 15.979) 18.742 5.500 ( 3.866 -9.161 -2.466) 10.245 5.822 ( -14.126 -7.558 4.063) 16.528 6.188 ( 5.573 -0.981 -13.119) 14.288 6.960 ( -0.105 0.548 2.687) 2.745 7.170 ( -5.440 -0.295 -12.531) 13.664 7.922 ( 2.200 -1.153 6.228) 6.705 9.314 ( 8.278 -16.589 11.121) 21.619 9.879 ( -1.652 -14.672 18.486) 23.659 9.948 ( -7.555 -5.286 -2.597) 9.579 10.434 ( -1.458 -6.436 8.933) 11.106 10.606 ( 4.904 -7.244 -13.420) 16.020 10.839 ( 0.732 -7.050 2.833) 7.633 11.151 ( -3.070 9.538 -3.419) 10.587 11.261 ( 3.524 -12.326 -15.176) 19.867 11.690 ( -1.807 -0.542 1.262) 2.270 12.274 ( -4.525 -0.325 -7.547) 8.806 12.777 ( 5.522 -7.738 6.420) 11.471 12.881 ( 4.169 8.698 3.133) 10.142 13.139 ( 0.800 20.528 1.365) 20.589 13.305 ( -0.089 5.995 10.309) 11.926 14.194 ( -5.679 -10.864 0.406) 12.266 14.630 ( -2.305 1.612 -2.820) 3.983 15.676 ( 0.414 -17.098 -0.082) 17.103 15.982 ( -0.251 -0.774 -3.663) 3.753 19.096 ( -5.602 -16.309 -0.889) 17.267 19.559 ( -0.594 0.823 0.749) 1.261 21.595 ( 1.236 5.142 8.590) 10.088 22.537 ( 6.594 -0.409 -18.126) 19.293 24.193 ( -2.878 -10.062 3.086) 10.911 25.273 ( 4.250 7.575 -6.244) 10.697 28.072 ( 0.692 -4.131 10.512) 11.315 28.552 ( -4.911 10.347 3.455) 11.963 ======================= Grid point 634 (302/429) ======================= q-point: (-0.36 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.318 ( -13.540 -1.803 0.208) 13.661 4.679 ( 13.239 12.497 10.598) 21.066 4.863 ( 1.088 -0.625 -2.366) 2.679 5.391 ( -3.630 -3.165 11.785) 12.731 5.623 ( 2.579 -2.936 -2.719) 4.761 5.880 ( -7.167 -3.466 6.214) 10.099 6.209 ( 6.848 -0.485 -12.456) 14.222 6.953 ( -2.015 -0.206 0.931) 2.229 7.112 ( -6.759 0.357 -13.994) 15.545 7.979 ( 5.728 -0.764 8.279) 10.096 9.530 ( 4.968 0.984 4.960) 7.089 9.940 ( -10.493 0.113 3.295) 10.999 10.075 ( 0.129 -3.093 14.383) 14.712 10.483 ( -1.697 -0.563 6.567) 6.806 10.737 ( 6.187 1.092 -7.617) 9.874 10.854 ( 3.591 4.267 -6.207) 8.344 11.003 ( -6.813 -0.517 -3.619) 7.731 11.432 ( 5.653 -5.542 -12.146) 14.498 11.754 ( -0.587 -7.061 3.690) 7.988 12.204 ( 1.120 5.565 -4.440) 7.207 12.689 ( -2.218 15.570 1.557) 15.804 12.761 ( -3.394 7.582 -0.177) 8.309 13.082 ( 2.973 -13.505 9.138) 16.575 13.276 ( 0.642 0.537 6.889) 6.939 14.352 ( -2.950 -7.771 0.248) 8.316 14.559 ( -2.488 4.080 -2.617) 5.449 15.911 ( 0.500 7.950 -2.707) 8.413 15.935 ( 1.829 -8.750 2.069) 9.175 19.349 ( -1.785 -13.019 -0.105) 13.141 19.536 ( 2.578 2.336 -1.563) 3.814 21.498 ( -2.781 5.879 8.127) 10.409 22.527 ( 5.294 1.328 -17.876) 18.690 24.354 ( -0.190 -7.504 2.702) 7.978 25.120 ( 0.897 9.023 -3.714) 9.799 28.133 ( -2.395 1.085 7.294) 7.753 28.422 ( -2.099 -0.229 6.442) 6.779 ======================= Grid point 635 (303/429) ======================= q-point: (-0.29 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.265 ( -9.767 3.451 13.295) 16.854 4.592 ( 12.136 4.771 4.579) 13.820 4.799 ( -1.322 8.129 6.609) 10.559 5.363 ( -4.783 3.453 -3.353) 6.786 5.665 ( 3.932 0.910 5.813) 7.076 5.859 ( -2.546 3.195 -0.528) 4.119 6.249 ( 7.743 -1.009 -8.886) 11.829 6.943 ( -3.995 -0.220 -0.514) 4.034 7.017 ( -7.436 2.621 -13.309) 15.469 8.036 ( 7.532 0.877 8.548) 11.426 9.366 ( 2.145 17.518 0.470) 17.655 9.774 ( -11.974 13.125 7.491) 19.281 10.070 ( 1.651 6.097 10.504) 12.257 10.452 ( 0.891 5.321 5.994) 8.064 10.671 ( 3.021 6.154 -9.953) 12.085 10.782 ( -6.349 -0.829 -4.088) 7.597 10.962 ( 2.573 4.759 -7.104) 8.929 11.497 ( 4.902 0.160 -7.824) 9.234 11.970 ( 3.714 -11.484 4.681) 12.946 12.086 ( 1.660 6.506 0.734) 6.755 12.361 ( -1.827 11.149 1.753) 11.432 12.741 ( -3.756 -2.604 -0.291) 4.579 13.208 ( -6.395 -0.716 7.682) 10.021 13.438 ( 2.829 -13.445 3.245) 14.117 14.400 ( 2.003 4.557 -3.157) 5.895 14.500 ( -4.477 -4.172 -0.391) 6.132 15.681 ( 1.703 16.196 -2.210) 16.435 16.020 ( 2.437 1.865 4.007) 5.047 19.456 ( 3.265 5.959 -0.755) 6.837 19.586 ( 1.755 -9.493 -1.223) 9.731 21.384 ( -5.995 4.756 7.679) 10.841 22.483 ( 4.876 2.998 -18.893) 19.741 24.484 ( 1.748 -5.188 1.641) 5.715 24.934 ( -0.625 10.155 -2.367) 10.446 28.035 ( -4.590 5.936 3.086) 8.114 28.562 ( -0.341 -11.366 11.605) 16.247 ======================= Grid point 636 (304/429) ======================= q-point: (-0.21 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.080 ( -4.607 15.502 19.485) 25.322 4.532 ( 0.410 13.953 16.275) 21.442 4.717 ( 8.073 -3.415 3.076) 9.290 5.209 ( -2.932 9.023 -12.759) 15.900 5.609 ( -0.458 8.826 7.531) 11.611 5.790 ( 1.035 1.061 -8.567) 8.694 6.275 ( 7.264 2.546 -6.163) 9.861 6.865 ( -10.348 4.203 -7.935) 13.700 6.919 ( -1.031 2.342 -1.471) 2.952 8.060 ( 7.943 2.975 7.742) 11.484 8.953 ( 2.511 26.437 1.281) 26.587 9.348 ( -13.086 23.963 4.076) 27.605 9.918 ( 4.936 13.632 10.945) 18.165 10.314 ( -2.791 9.769 1.191) 10.229 10.502 ( 2.618 10.103 -13.740) 17.255 10.675 ( -3.901 10.422 -3.077) 11.546 10.901 ( -2.791 3.353 -4.334) 6.150 11.521 ( 3.573 -6.015 -4.648) 8.399 11.943 ( 0.796 11.197 2.066) 11.414 12.002 ( -1.836 3.764 4.485) 6.137 12.512 ( 11.799 -15.686 8.222) 21.281 12.764 ( -0.620 -1.492 2.770) 3.206 13.242 ( -12.343 -10.126 -0.719) 15.981 13.655 ( -1.740 -7.516 -0.326) 7.722 14.341 ( 1.998 -0.583 -3.898) 4.419 14.592 ( -1.653 -6.535 0.030) 6.741 15.336 ( 2.725 20.578 -1.316) 20.800 15.919 ( 2.634 10.554 5.079) 12.005 19.287 ( 5.629 14.634 -1.523) 15.753 19.738 ( -1.745 -5.491 0.664) 5.800 21.286 ( -6.282 3.176 7.171) 10.049 22.387 ( 5.396 6.801 -21.599) 23.279 24.552 ( -5.274 -0.656 2.343) 5.808 24.736 ( 7.971 10.615 -4.551) 14.034 27.905 ( -4.789 5.234 2.357) 7.476 28.849 ( -0.461 -16.411 13.870) 21.492 ======================= Grid point 637 (305/429) ======================= q-point: (-0.14 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.687 ( -2.622 26.998 19.219) 33.244 4.299 ( 1.969 14.792 25.863) 29.859 4.863 ( 7.767 -2.032 0.569) 8.048 4.953 ( -0.717 11.930 -14.972) 19.157 5.381 ( -1.669 14.295 3.627) 14.842 5.755 ( 0.491 3.032 -12.006) 12.393 6.168 ( 3.089 11.423 -6.168) 13.344 6.730 ( -4.273 3.536 3.303) 6.455 6.861 ( -0.716 3.076 -0.456) 3.191 8.040 ( 7.624 6.006 7.819) 12.463 8.469 ( 0.505 23.864 0.612) 23.877 8.811 ( -10.435 23.079 -4.113) 25.660 9.667 ( 7.413 19.457 13.000) 24.547 10.048 ( -6.710 15.098 -3.691) 16.929 10.211 ( 1.974 18.662 -15.875) 24.580 10.499 ( -3.430 5.023 -1.114) 6.184 10.627 ( -4.446 19.245 -2.747) 19.942 11.640 ( -8.127 10.192 5.061) 13.984 11.848 ( 9.387 -7.858 -4.346) 12.990 12.032 ( -3.489 -13.407 4.713) 14.633 12.691 ( 10.915 2.657 16.148) 19.671 13.000 ( 5.520 -17.653 0.552) 18.505 13.453 ( -13.193 -19.223 -3.951) 23.648 13.716 ( -2.966 -3.502 -7.916) 9.150 14.441 ( 0.483 -8.472 -2.056) 8.731 14.707 ( -1.949 -4.626 0.714) 5.070 14.979 ( 4.924 16.499 -0.884) 17.241 15.719 ( 3.461 11.782 5.004) 13.260 18.944 ( 5.471 25.301 -2.584) 26.015 19.737 ( -9.184 3.670 4.549) 10.886 21.222 ( -2.672 2.077 5.972) 6.864 22.185 ( 6.716 14.398 -25.818) 30.315 24.382 ( -17.761 9.201 4.497) 20.502 24.680 ( 22.883 6.307 -9.005) 25.387 27.796 ( -4.416 3.918 2.717) 6.499 29.216 ( -1.241 -19.852 14.425) 24.571 ======================= Grid point 638 (306/429) ======================= q-point: (-0.07 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 1.651 30.813 18.628) 36.044 4.031 ( 1.664 23.289 27.890) 36.373 4.643 ( -5.006 12.439 -11.496) 17.662 4.773 ( 14.637 23.337 -6.177) 28.232 5.216 ( 0.998 1.719 3.065) 3.653 5.604 ( -2.348 9.234 -6.925) 11.778 5.907 ( 3.610 14.632 -2.634) 15.299 6.687 ( -2.737 2.571 10.590) 11.236 6.822 ( 2.410 -0.226 -1.270) 2.733 7.915 ( 6.141 12.450 3.701) 14.367 8.133 ( -2.198 11.938 4.983) 13.122 8.433 ( -7.372 7.659 -14.677) 18.122 9.289 ( 3.333 27.567 11.715) 30.138 9.699 ( -3.201 14.887 -5.604) 16.225 9.831 ( 1.141 18.295 -16.672) 24.778 10.208 ( -6.430 17.807 -1.261) 18.974 10.439 ( -0.178 3.099 0.990) 3.258 11.336 ( -9.168 15.353 5.691) 18.766 11.892 ( 10.721 4.416 -5.567) 12.862 12.470 ( -18.052 -25.957 11.214) 33.547 12.825 ( 13.718 -8.359 13.717) 21.124 13.304 ( 0.054 -12.130 0.110) 12.131 13.666 ( 5.165 -6.854 -8.321) 11.954 13.875 ( -9.820 -19.268 -5.343) 22.276 14.580 ( -1.161 11.906 1.549) 12.062 14.615 ( -0.849 -10.002 -1.387) 10.134 14.969 ( 4.657 -8.389 -0.917) 9.639 15.620 ( 7.719 0.577 2.304) 8.077 18.368 ( 3.128 37.820 -5.493) 38.345 19.483 ( -17.380 16.980 11.241) 26.772 21.194 ( 1.732 1.842 3.412) 4.247 21.803 ( 8.097 25.561 -28.270) 38.963 24.093 ( -19.136 10.192 4.861) 22.219 24.676 ( 27.415 7.521 -12.038) 30.871 27.720 ( -3.652 2.205 3.692) 5.642 29.623 ( -3.191 -21.428 12.397) 24.960 ======================= Grid point 642 (307/429) ======================= q-point: ( 0.21 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( 15.498 0.000 11.283) 19.170 3.454 ( -0.893 -0.000 -0.345) 0.957 3.498 ( 43.521 0.000 10.913) 44.869 4.661 ( 4.520 0.000 -2.044) 4.961 4.924 ( -2.182 -0.000 2.044) 2.990 5.700 ( 4.553 0.000 -11.242) 12.129 5.900 ( 15.707 0.000 15.134) 21.812 6.078 ( -6.397 -0.000 5.917) 8.714 6.988 ( 6.994 0.000 -13.257) 14.988 7.695 ( -0.810 -0.000 -2.079) 2.231 7.846 ( -1.867 -0.000 0.226) 1.880 7.905 ( -9.346 -0.000 -5.968) 11.089 8.905 ( -3.627 -0.000 -14.958) 15.391 9.012 ( 3.101 0.000 9.244) 9.751 9.065 ( -0.864 -0.000 4.735) 4.813 9.771 ( 13.901 0.000 -7.802) 15.941 10.244 ( 0.170 0.000 -0.101) 0.198 10.393 ( -21.874 -0.000 10.495) 24.262 11.812 ( -7.396 -0.000 9.662) 12.168 12.444 ( -11.473 -0.000 -9.418) 14.844 13.047 ( -12.695 -0.000 1.566) 12.791 13.833 ( -3.169 -0.000 -0.394) 3.193 14.004 ( 2.105 0.000 5.057) 5.477 14.423 ( 1.643 0.000 9.107) 9.254 14.762 ( -0.176 -0.000 -1.249) 1.261 15.184 ( 0.297 0.000 8.045) 8.050 15.653 ( -10.127 -0.000 -1.689) 10.267 16.806 ( -0.361 -0.000 0.807) 0.884 16.857 ( 41.641 0.000 -4.308) 41.864 17.748 ( 0.127 0.000 -5.294) 5.295 20.170 ( -0.345 -0.000 1.534) 1.572 21.148 ( 0.408 0.000 -1.185) 1.253 23.321 ( -9.979 -0.000 -4.148) 10.807 25.125 ( 24.887 0.000 -20.474) 32.226 27.714 ( 0.838 0.000 10.176) 10.210 30.101 ( -18.896 -0.000 3.232) 19.171 ======================= Grid point 643 (308/429) ======================= q-point: ( 0.29 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 18.321 -23.194 6.031) 30.166 3.462 ( 8.159 -10.962 9.238) 16.494 4.088 ( 21.492 -25.014 7.241) 33.764 4.666 ( -3.419 -2.220 -4.487) 6.062 4.888 ( 2.834 2.455 -1.589) 4.073 5.642 ( 1.227 4.994 -9.652) 10.936 5.897 ( 14.718 3.948 2.990) 15.529 6.368 ( 2.915 -18.727 10.244) 21.544 7.041 ( 7.473 -3.711 -10.374) 13.313 7.634 ( -4.118 3.065 -6.400) 8.204 7.862 ( -0.039 -5.169 1.551) 5.396 7.937 ( -11.835 -6.547 -3.431) 13.953 8.647 ( 0.805 13.079 3.756) 13.632 9.061 ( 1.560 -11.131 -9.929) 14.997 9.433 ( -0.920 -19.410 9.799) 21.763 9.812 ( 12.668 1.182 -6.290) 14.193 10.296 ( -13.405 -2.195 8.533) 16.041 10.398 ( -5.678 -13.610 0.989) 14.780 11.800 ( -19.889 -4.295 13.790) 24.580 12.380 ( 3.340 0.962 -12.995) 13.452 12.934 ( -17.687 3.373 2.259) 18.147 13.859 ( -1.270 -4.278 -4.153) 6.096 13.953 ( 7.362 8.507 7.076) 13.290 14.306 ( -3.847 13.761 10.113) 17.505 14.534 ( 1.166 10.468 7.703) 13.049 15.217 ( 3.687 9.973 -5.128) 11.804 15.723 ( -2.107 -0.044 6.849) 7.166 16.523 ( -1.223 -4.386 -3.956) 6.032 17.013 ( 30.516 28.850 -29.889) 51.545 18.063 ( -6.993 -38.407 24.274) 45.970 20.572 ( 2.342 -34.754 -4.190) 35.084 21.200 ( 3.062 -5.818 -2.450) 7.016 23.287 ( -8.521 -2.897 -4.072) 9.878 25.238 ( 21.729 -1.418 -19.969) 29.545 27.743 ( 1.749 -0.175 11.464) 11.598 29.919 ( -18.586 7.708 4.100) 20.534 ======================= Grid point 644 (309/429) ======================= q-point: ( 0.36 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( 24.531 -20.680 -0.260) 32.086 3.958 ( -2.541 -31.297 15.299) 34.929 4.528 ( 8.627 -8.610 12.970) 17.798 4.681 ( -17.780 -5.114 -2.861) 18.721 5.043 ( 18.934 -17.169 -20.745) 32.918 5.530 ( -4.605 4.037 -6.800) 9.151 5.909 ( 12.635 4.317 -1.917) 13.489 6.704 ( 5.508 -11.358 5.316) 13.697 7.184 ( 9.834 -7.449 -0.421) 12.344 7.539 ( -8.618 2.695 -10.750) 14.039 7.965 ( -9.316 -6.055 2.670) 11.427 8.053 ( 3.037 -13.314 6.959) 15.326 8.623 ( -0.123 -10.062 0.811) 10.096 9.318 ( 1.198 -16.287 -9.423) 18.854 9.785 ( -1.427 -16.803 9.321) 19.268 9.904 ( 11.676 -4.896 -2.176) 12.846 10.288 ( -14.651 -5.264 7.510) 17.285 10.712 ( 0.632 -18.895 0.075) 18.905 11.787 ( -23.058 -5.357 11.757) 26.431 12.410 ( 11.738 -1.135 -11.462) 16.445 12.709 ( -19.030 9.284 1.630) 21.237 13.810 ( 12.054 10.241 2.670) 16.040 13.930 ( -4.991 1.768 6.456) 8.350 14.123 ( 1.599 2.247 8.462) 8.900 14.387 ( 1.032 7.855 4.159) 8.948 14.895 ( 1.903 22.010 -3.024) 22.298 15.473 ( 4.200 21.092 -1.717) 21.574 16.402 ( 16.674 31.791 -19.181) 40.701 17.029 ( -14.848 -39.019 -7.422) 42.404 18.812 ( -3.130 -33.473 22.216) 40.296 21.170 ( -1.180 -21.433 4.041) 21.843 21.489 ( 13.277 -24.578 -16.218) 32.301 23.319 ( -8.297 -6.675 -2.458) 10.929 25.352 ( 17.934 -1.919 -18.127) 25.572 27.788 ( 2.653 -0.936 12.509) 12.822 29.636 ( -16.054 11.799 4.803) 20.494 ======================= Grid point 645 (310/429) ======================= q-point: ( 0.43 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.866 ( 23.224 -21.715 0.615) 31.800 4.428 ( -8.735 -15.484 6.475) 18.921 4.677 ( -15.378 -7.214 1.838) 17.085 4.723 ( 9.059 -7.310 2.510) 11.908 5.399 ( -0.619 -0.652 -8.786) 8.832 5.465 ( 1.213 -11.266 -9.536) 14.810 5.900 ( 6.949 -0.293 -5.501) 8.868 6.886 ( 4.679 -4.870 0.718) 6.792 7.310 ( -15.107 0.096 -15.951) 21.970 7.530 ( 18.616 -8.921 13.011) 24.401 8.092 ( -4.108 -10.328 5.816) 12.545 8.461 ( 0.821 -25.638 12.343) 28.466 8.943 ( -0.883 -22.268 -3.165) 22.509 9.659 ( 2.797 -20.961 -9.089) 23.017 10.031 ( -0.403 -7.897 1.928) 8.139 10.150 ( 4.430 -14.154 10.640) 18.252 10.388 ( -7.239 -12.268 1.077) 14.285 11.065 ( 1.153 -16.706 0.298) 16.748 11.782 ( -15.835 -4.023 7.240) 17.870 12.361 ( -17.106 8.780 -11.459) 22.383 12.521 ( 12.138 1.541 2.924) 12.580 13.732 ( 10.793 6.170 7.429) 14.483 13.775 ( -1.871 11.640 4.983) 12.799 14.034 ( 7.450 15.318 10.196) 19.852 14.439 ( -1.232 -8.353 -3.653) 9.200 14.475 ( -2.163 15.834 0.360) 15.986 15.099 ( -2.071 16.144 -6.763) 17.626 15.992 ( 6.990 14.526 -14.316) 21.559 17.677 ( -13.308 -37.438 -4.235) 39.958 19.298 ( -4.344 -16.946 15.086) 23.100 21.468 ( 1.931 -11.288 9.174) 14.673 22.028 ( 13.725 -22.875 -22.302) 34.771 23.445 ( -7.973 -12.223 0.085) 14.594 25.441 ( 13.678 -0.737 -15.294) 20.531 27.858 ( 3.270 -1.985 12.992) 13.544 29.322 ( -12.742 13.078 4.670) 18.847 ======================= Grid point 646 (311/429) ======================= q-point: ( 0.50 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.383 ( 18.068 -17.055 0.532) 24.852 4.465 ( -15.676 -2.308 -3.416) 16.209 4.795 ( -2.656 -7.313 -3.804) 8.660 4.925 ( 7.363 -9.202 1.062) 11.833 5.355 ( -11.466 -2.333 7.501) 13.899 5.560 ( 2.290 1.306 2.947) 3.954 6.017 ( 2.742 -8.612 -16.637) 18.933 6.965 ( 2.392 -1.408 1.653) 3.230 7.170 ( -12.254 0.801 -15.485) 19.763 7.831 ( 10.329 -5.991 9.589) 15.315 8.413 ( 5.107 -23.773 11.794) 27.024 8.999 ( -4.772 -28.279 16.492) 33.083 9.389 ( 4.348 -23.534 -7.207) 24.994 10.068 ( -2.313 -16.469 -4.209) 17.156 10.167 ( 3.222 -12.676 1.962) 13.225 10.437 ( -0.509 -11.320 11.053) 15.829 10.647 ( -0.792 -16.633 -6.844) 18.003 11.306 ( -0.243 -7.172 -1.034) 7.251 11.754 ( -4.914 1.881 3.677) 6.419 12.130 ( -16.771 -0.102 -11.287) 20.216 12.590 ( 10.337 -0.515 3.943) 11.076 13.495 ( 7.882 18.762 4.027) 20.745 13.701 ( 6.762 10.008 12.517) 17.394 13.822 ( 7.122 8.787 0.769) 11.337 14.060 ( -11.519 15.968 3.575) 20.011 14.678 ( 0.992 -2.761 -4.826) 5.648 14.949 ( -6.261 -11.077 -5.581) 13.895 15.863 ( 2.078 0.693 -9.728) 9.971 18.241 ( -10.000 -30.041 -2.545) 31.763 19.499 ( -3.968 -5.899 8.574) 11.138 21.653 ( 2.833 -4.457 9.868) 11.192 22.373 ( 11.105 -10.763 -21.950) 26.851 23.680 ( -5.814 -15.961 1.736) 17.075 25.470 ( 9.216 2.266 -11.963) 15.270 27.946 ( 3.251 -2.590 12.768) 13.427 29.018 ( -9.705 12.961 3.906) 16.656 ======================= Grid point 647 (312/429) ======================= q-point: ( 0.57 0.21 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.318 ( -17.117 2.031 -5.051) 17.962 4.726 ( 8.983 -6.026 -8.441) 13.721 4.955 ( 8.781 -9.665 5.112) 14.023 5.114 ( 1.268 -4.944 5.682) 7.638 5.384 ( -0.154 -4.484 4.756) 6.538 5.584 ( -9.132 -6.220 8.266) 13.799 6.133 ( 2.954 -5.179 -15.505) 16.612 6.974 ( -3.186 0.829 3.660) 4.922 7.089 ( -6.647 -1.188 -16.090) 17.449 7.941 ( 5.871 -1.059 9.109) 10.889 8.977 ( 8.668 -25.487 10.614) 28.938 9.514 ( -5.427 -25.451 20.015) 32.830 9.762 ( 1.436 -12.651 -6.825) 14.446 10.245 ( -1.427 -12.065 3.787) 12.725 10.508 ( 5.363 -7.740 -4.108) 10.274 10.615 ( -4.786 -12.527 7.397) 15.315 10.952 ( 1.895 -17.241 -13.788) 22.157 11.307 ( 0.089 5.549 -3.319) 6.466 11.703 ( -0.386 1.992 0.609) 2.118 12.115 ( -13.043 -7.658 -8.921) 17.560 12.693 ( 6.391 -4.618 6.196) 10.028 13.208 ( 9.177 18.047 3.202) 20.498 13.464 ( 3.183 14.678 10.005) 18.046 13.603 ( 0.200 20.298 3.385) 20.579 13.961 ( -5.880 -8.989 0.624) 10.759 14.628 ( -3.312 1.456 -4.578) 5.835 15.292 ( -1.447 -22.160 -2.065) 22.303 15.906 ( -0.102 -4.826 -6.173) 7.836 18.688 ( -6.103 -23.053 -1.469) 23.892 19.551 ( -2.320 -1.200 3.934) 4.722 21.702 ( 1.676 2.373 9.442) 9.879 22.513 ( 8.012 -3.245 -19.962) 21.753 23.950 ( -3.060 -14.329 2.265) 14.826 25.416 ( 5.136 5.776 -8.583) 11.550 28.037 ( 2.503 -2.802 12.185) 12.751 28.738 ( -7.390 12.003 2.918) 14.395 ======================= Grid point 648 (313/429) ======================= q-point: (-0.36 -0.79 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.200 ( -15.309 -0.880 -1.335) 15.392 4.814 ( 2.104 -3.592 -7.651) 8.710 5.003 ( 12.445 10.895 4.864) 17.240 5.290 ( -0.494 -9.423 16.510) 19.016 5.521 ( -0.846 -7.873 -4.329) 9.024 5.714 ( -5.496 -9.518 9.500) 14.527 6.198 ( 4.607 -2.361 -13.292) 14.264 6.929 ( -7.722 0.089 -0.477) 7.737 7.057 ( -2.220 -0.234 -12.312) 12.513 8.014 ( 6.880 -1.119 9.852) 12.068 9.427 ( 4.614 -14.720 4.023) 15.942 9.865 ( -5.231 -3.373 3.002) 6.910 9.937 ( -1.988 -15.777 19.123) 24.871 10.446 ( -2.022 -3.135 9.484) 10.191 10.632 ( 8.202 -11.023 -12.965) 18.891 10.819 ( -4.599 -7.982 0.653) 9.235 11.122 ( 0.711 12.852 -4.323) 13.578 11.246 ( 3.238 -14.129 -15.182) 20.991 11.678 ( -1.187 -0.482 1.370) 1.876 12.178 ( -6.592 -5.721 -7.295) 11.376 12.835 ( 0.947 -0.168 5.152) 5.241 12.959 ( 4.920 5.956 6.505) 10.100 13.151 ( 1.440 23.829 -1.404) 23.914 13.346 ( -0.506 5.069 11.571) 12.643 14.143 ( -2.558 -11.439 0.276) 11.725 14.588 ( -2.467 0.918 -3.623) 4.478 15.680 ( 0.098 -18.435 0.473) 18.441 15.966 ( -0.210 -1.342 -4.032) 4.255 19.045 ( -2.404 -17.879 -0.886) 18.062 19.556 ( -0.554 -0.071 0.781) 0.961 21.633 ( -0.417 6.676 8.786) 11.043 22.542 ( 6.002 0.178 -18.462) 19.414 24.180 ( -1.199 -10.899 2.580) 11.264 25.288 ( 2.141 8.312 -5.606) 10.252 28.124 ( 1.166 -2.565 11.600) 11.937 28.501 ( -5.598 8.834 2.311) 10.711 ======================= Grid point 649 (314/429) ======================= q-point: (-0.29 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.177 ( -11.949 -4.452 5.292) 13.806 4.850 ( 10.121 10.721 5.536) 15.748 4.863 ( 1.027 0.238 -4.068) 4.203 5.381 ( -5.544 0.461 10.930) 12.264 5.652 ( 3.133 -5.552 0.280) 6.382 5.853 ( -1.091 -3.786 6.704) 7.776 6.236 ( 5.315 -1.736 -12.279) 13.492 6.890 ( -7.321 -0.993 -5.152) 9.006 7.013 ( -1.622 1.636 -7.996) 8.321 8.095 ( 7.369 -0.778 9.252) 11.854 9.537 ( -3.720 2.699 -5.380) 7.076 9.892 ( -2.971 1.104 12.045) 12.455 10.127 ( -1.033 -2.236 15.304) 15.501 10.494 ( -0.200 -2.451 6.814) 7.244 10.757 ( -0.032 2.898 -5.665) 6.363 10.861 ( 0.971 11.229 -7.070) 13.304 10.942 ( 1.876 -6.814 -5.263) 8.812 11.441 ( 3.929 -7.084 -12.835) 15.178 11.756 ( -1.463 -8.824 4.113) 9.845 12.196 ( 0.711 1.073 -5.545) 5.692 12.676 ( -1.008 14.226 1.114) 14.305 12.720 ( -2.457 12.733 -0.978) 13.005 13.134 ( -0.929 -10.167 11.391) 15.297 13.314 ( 0.392 0.339 7.342) 7.360 14.330 ( -0.250 -8.755 -0.089) 8.759 14.525 ( -1.273 4.310 -3.394) 5.632 15.905 ( 0.061 6.672 -2.504) 7.127 15.961 ( 1.096 -9.292 1.957) 9.559 19.337 ( -0.203 -13.790 -0.232) 13.794 19.551 ( 0.855 0.717 -1.424) 1.809 21.498 ( -2.478 7.822 8.167) 11.577 22.521 ( 5.151 1.680 -17.878) 18.682 24.360 ( -0.690 -8.177 2.659) 8.626 25.119 ( 1.283 9.415 -3.724) 10.206 28.133 ( -2.272 4.820 7.392) 9.112 28.421 ( -2.194 -3.863 6.351) 7.751 ======================= Grid point 650 (315/429) ======================= q-point: (-0.21 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.209 ( -8.072 -1.243 14.466) 16.613 4.727 ( 8.181 6.960 -0.215) 10.743 4.821 ( 1.310 5.913 7.102) 9.333 5.303 ( -4.068 4.831 -1.323) 6.452 5.722 ( -0.105 1.756 6.816) 7.039 5.843 ( 2.663 3.794 -2.835) 5.433 6.289 ( 4.091 -2.389 -8.875) 10.060 6.849 ( -4.685 0.555 -7.726) 9.052 6.954 ( -1.194 2.355 -3.080) 4.057 8.151 ( 6.331 0.975 7.498) 9.862 9.324 ( -6.921 14.626 -6.246) 17.344 9.731 ( -3.020 17.242 14.523) 22.745 10.120 ( -0.258 4.512 11.449) 12.309 10.488 ( 1.754 7.796 4.172) 9.014 10.632 ( -3.840 4.177 -6.953) 8.974 10.698 ( -4.582 3.484 -4.396) 7.242 10.995 ( 7.379 3.840 -7.415) 11.143 11.509 ( 2.621 -0.395 -9.104) 9.482 11.962 ( -6.707 -8.341 6.277) 12.408 12.162 ( 10.509 4.047 -2.908) 11.631 12.375 ( 2.477 5.955 1.311) 6.581 12.687 ( -4.249 -4.473 -1.559) 6.364 13.182 ( -4.097 3.713 10.314) 11.702 13.454 ( -2.924 -11.787 4.362) 12.904 14.405 ( 0.687 6.059 -3.743) 7.155 14.474 ( 1.131 -6.241 -0.669) 6.377 15.688 ( 0.880 15.321 -2.310) 15.519 16.054 ( 0.854 1.072 3.553) 3.809 19.471 ( -0.328 3.322 -0.097) 3.340 19.596 ( 0.683 -8.110 -1.800) 8.335 21.360 ( -3.015 6.202 7.697) 10.335 22.472 ( 5.428 3.243 -18.437) 19.491 24.478 ( -4.209 -4.376 3.036) 6.788 24.952 ( 5.619 8.830 -4.239) 11.292 28.001 ( -3.553 6.873 4.228) 8.817 28.595 ( -1.070 -12.300 10.452) 16.176 ======================= Grid point 651 (316/429) ======================= q-point: (-0.14 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( -3.680 13.635 18.675) 23.414 4.606 ( 1.673 11.409 16.541) 20.164 4.821 ( 8.099 -4.100 -1.133) 9.149 5.142 ( -1.122 10.130 -10.585) 14.694 5.577 ( -7.798 8.931 -0.452) 11.865 5.813 ( 7.140 3.273 -3.149) 8.462 6.290 ( -0.355 2.982 -8.835) 9.331 6.796 ( 2.703 2.667 -2.557) 4.578 6.902 ( -1.181 2.133 -0.319) 2.459 8.160 ( 4.503 2.659 5.758) 7.779 8.899 ( -9.619 23.273 -6.019) 25.892 9.302 ( -0.759 28.056 12.982) 30.923 10.004 ( 2.563 10.708 11.422) 15.864 10.265 ( -6.037 13.087 -2.794) 14.681 10.473 ( 1.710 10.009 -13.712) 17.062 10.610 ( -6.142 6.703 4.687) 10.229 10.883 ( 2.573 10.029 -5.631) 11.785 11.533 ( 1.902 -6.180 -5.763) 8.662 11.887 ( -7.435 8.329 3.937) 11.839 12.084 ( 9.001 6.208 1.513) 11.038 12.667 ( 10.260 -21.724 3.042) 24.217 12.781 ( 1.489 -5.119 2.793) 6.019 13.106 ( -10.561 -1.717 3.316) 11.202 13.620 ( -4.383 -6.597 0.510) 7.937 14.335 ( -0.522 -0.771 -3.483) 3.606 14.600 ( 3.126 -5.962 -0.692) 6.767 15.355 ( 1.514 19.380 -1.697) 19.513 15.956 ( 0.768 9.690 3.720) 10.408 19.308 ( -1.086 13.059 -2.518) 13.344 19.707 ( -4.177 -3.187 2.130) 5.669 21.272 ( -0.644 3.340 7.248) 8.006 22.379 ( 6.809 7.086 -20.579) 22.805 24.435 ( -13.404 4.790 4.391) 14.896 24.878 ( 16.502 4.424 -7.742) 18.757 27.870 ( -3.212 5.627 3.989) 7.608 28.885 ( -1.770 -16.740 12.154) 20.763 ======================= Grid point 652 (317/429) ======================= q-point: (-0.07 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( 0.248 25.476 17.609) 30.970 4.429 ( 3.757 13.702 24.255) 28.110 4.850 ( -1.872 12.925 -10.018) 16.459 5.001 ( 10.754 -3.975 -7.202) 13.539 5.350 ( -5.596 10.559 -1.499) 12.044 5.742 ( 4.996 7.782 -8.929) 12.855 6.133 ( -3.625 9.520 -8.243) 13.105 6.774 ( 6.344 3.981 7.824) 10.831 6.863 ( 1.857 1.729 0.977) 2.719 8.129 ( 2.961 4.504 7.181) 8.979 8.371 ( -12.575 21.434 -10.921) 27.145 8.781 ( 2.216 28.209 8.398) 29.516 9.771 ( 0.085 19.361 12.010) 22.784 9.944 ( -5.484 14.334 -7.310) 16.999 10.174 ( 1.071 19.194 -12.129) 22.730 10.439 ( -6.006 8.796 2.986) 11.062 10.611 ( 2.329 15.766 -2.479) 16.129 11.564 ( -7.779 11.163 3.404) 14.026 11.897 ( 0.405 -18.528 -1.502) 18.593 12.054 ( 5.453 1.781 2.937) 6.445 12.862 ( 8.563 0.512 12.027) 14.773 13.051 ( -0.134 -13.405 -1.440) 13.482 13.311 ( -5.558 -25.158 -0.708) 25.775 13.669 ( -0.946 -2.410 -5.554) 6.128 14.416 ( -3.345 -8.410 -1.185) 9.128 14.706 ( 1.147 -1.279 -0.816) 1.902 15.029 ( 4.215 13.084 -1.158) 13.795 15.767 ( 2.636 9.818 2.213) 10.403 18.937 ( -4.490 24.260 -5.627) 25.306 19.648 ( -9.634 6.775 8.928) 14.779 21.247 ( 2.878 1.801 6.225) 7.090 22.184 ( 9.133 14.740 -23.956) 29.573 24.197 ( -16.690 10.604 4.495) 20.278 24.905 ( 21.802 3.777 -11.202) 24.801 27.769 ( -2.444 4.087 4.755) 6.729 29.238 ( -3.576 -19.471 12.315) 23.315 ======================= Grid point 657 (318/429) ======================= q-point: ( 0.29 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 15.307 0.000 10.301) 18.450 3.437 ( -1.760 -0.000 -0.309) 1.787 3.998 ( 33.184 0.000 12.874) 35.594 4.566 ( -17.794 -0.000 -0.990) 17.821 4.988 ( 11.906 0.000 -3.552) 12.424 5.727 ( 7.433 0.000 -11.936) 14.061 6.032 ( -5.047 -0.000 5.829) 7.710 6.176 ( 23.699 0.000 8.031) 25.023 7.011 ( 5.329 0.000 -13.019) 14.068 7.671 ( -1.475 -0.000 -3.175) 3.500 7.756 ( -10.856 -0.000 -9.785) 14.615 7.827 ( -1.499 -0.000 0.265) 1.523 8.843 ( 0.896 0.000 -9.729) 9.770 9.081 ( 0.074 0.000 6.056) 6.057 9.082 ( 1.163 0.000 13.179) 13.230 9.904 ( 13.136 0.000 -7.333) 15.044 10.184 ( -19.376 -0.000 10.701) 22.135 10.243 ( -0.125 -0.000 -0.526) 0.540 11.648 ( -26.044 -0.000 14.697) 29.904 12.391 ( 7.494 0.000 -14.608) 16.418 12.862 ( -19.581 -0.000 4.032) 19.992 13.796 ( -0.603 -0.000 -4.926) 4.962 14.088 ( 6.536 0.000 8.268) 10.539 14.463 ( -0.719 -0.000 8.886) 8.915 14.755 ( -0.171 -0.000 -1.217) 1.229 15.202 ( -3.588 -0.000 12.643) 13.142 15.566 ( -2.782 -0.000 -3.976) 4.853 16.805 ( -0.348 -0.000 0.800) 0.873 17.321 ( 39.292 0.000 -3.910) 39.486 17.703 ( -3.231 -0.000 -9.577) 10.107 20.172 ( -0.341 -0.000 1.559) 1.595 21.149 ( 0.423 0.000 -1.174) 1.248 23.212 ( -5.709 -0.000 -5.127) 7.673 25.310 ( 19.840 0.000 -19.934) 28.125 27.776 ( 2.321 0.000 12.732) 12.942 29.883 ( -20.187 -0.000 3.432) 20.476 ======================= Grid point 658 (319/429) ======================= q-point: ( 0.36 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( 17.484 -26.256 6.438) 32.195 3.519 ( -0.877 -12.199 4.382) 12.992 4.366 ( 15.970 -15.217 12.748) 25.478 4.479 ( -21.530 -3.230 3.225) 22.008 5.004 ( 16.229 2.541 -12.301) 20.522 5.620 ( 1.409 8.379 -9.959) 13.091 6.057 ( 11.015 1.234 -1.217) 11.151 6.494 ( 12.854 -14.728 7.476) 20.930 7.086 ( 6.564 -6.949 -9.477) 13.460 7.528 ( -8.816 5.651 -9.808) 14.348 7.799 ( -6.999 -6.110 -3.881) 10.069 7.886 ( 0.742 -7.588 2.728) 8.098 8.682 ( 2.551 11.804 4.778) 12.988 9.052 ( 1.590 -9.828 -5.713) 11.479 9.466 ( -0.602 -18.914 11.396) 22.090 9.934 ( 11.300 0.998 -4.317) 12.138 10.116 ( -18.503 -2.894 9.859) 21.165 10.408 ( 3.916 -14.217 -1.226) 14.797 11.560 ( -26.693 -4.571 12.316) 29.751 12.422 ( 8.646 -0.941 -14.361) 16.789 12.725 ( -18.363 3.442 6.322) 19.724 13.838 ( -0.022 -5.276 -4.700) 7.066 14.077 ( 9.447 7.444 6.002) 13.442 14.293 ( -4.736 14.561 10.974) 18.838 14.587 ( 2.504 8.842 7.473) 11.845 15.227 ( 0.591 10.065 -3.366) 10.629 15.725 ( -1.194 -9.056 6.091) 10.979 16.495 ( -0.884 5.726 -4.164) 7.135 17.184 ( 16.493 39.188 -29.674) 51.848 18.126 ( 3.829 -41.032 20.400) 45.983 20.577 ( 0.378 -34.464 -1.779) 34.512 21.228 ( 3.701 -8.848 -3.714) 10.285 23.194 ( -4.484 -2.311 -4.713) 6.903 25.391 ( 17.021 -0.995 -18.713) 25.316 27.819 ( 2.971 -0.282 13.837) 14.155 29.712 ( -18.926 6.168 3.527) 20.216 ======================= Grid point 659 (320/429) ======================= q-point: ( 0.43 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.618 ( 25.965 -21.051 -2.477) 33.519 3.936 ( -9.635 -30.371 13.078) 34.443 4.435 ( -23.015 -6.332 2.339) 23.984 4.671 ( 5.702 -6.279 16.648) 18.684 5.170 ( 16.934 -14.309 -26.066) 34.219 5.438 ( -5.520 7.883 -8.612) 12.915 6.044 ( 11.142 6.607 -1.727) 13.068 6.791 ( 6.485 -8.891 2.097) 11.203 7.215 ( -4.258 -0.331 -10.970) 11.772 7.473 ( 3.845 -8.811 1.461) 9.724 7.885 ( -5.614 -8.586 1.705) 10.399 8.119 ( 3.006 -14.128 7.428) 16.242 8.643 ( 2.732 -7.022 1.020) 7.604 9.302 ( 1.750 -16.302 -7.819) 18.165 9.805 ( -1.230 -15.070 9.448) 17.829 10.033 ( 10.635 -5.010 -0.406) 11.763 10.136 ( -14.071 -8.649 8.127) 18.408 10.749 ( 5.022 -17.930 -0.608) 18.630 11.556 ( -21.999 -7.953 7.827) 24.667 12.391 ( -10.269 4.714 -12.454) 16.816 12.614 ( 3.112 1.599 6.877) 7.716 13.882 ( -5.798 4.949 5.804) 9.581 13.972 ( 12.939 6.546 0.256) 14.503 14.162 ( 0.074 -2.760 8.524) 8.960 14.435 ( 2.717 11.410 7.414) 13.875 14.899 ( 0.274 21.906 -2.267) 22.024 15.509 ( 3.585 24.907 -2.134) 25.254 16.452 ( 4.268 33.307 -22.603) 40.478 16.872 ( -7.509 -36.957 -2.954) 37.828 18.873 ( 1.050 -30.105 16.654) 34.420 21.162 ( -3.546 -23.863 6.130) 24.891 21.579 ( 12.582 -25.391 -16.608) 32.845 23.235 ( -4.297 -5.902 -3.031) 7.905 25.470 ( 13.404 -1.203 -16.585) 21.359 27.877 ( 3.598 -0.985 14.546) 15.017 29.463 ( -15.893 9.662 3.607) 18.947 ======================= Grid point 660 (321/429) ======================= q-point: ( 0.50 0.29 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.136 ( 19.447 -20.521 -1.247) 28.299 4.293 ( -13.802 -7.660 5.105) 16.590 4.537 ( -10.896 -16.373 4.064) 20.082 4.840 ( 7.666 -6.739 5.905) 11.792 5.237 ( -14.637 4.547 -4.197) 15.891 5.530 ( 11.501 -16.218 -20.248) 28.377 5.955 ( 5.018 6.588 -0.935) 8.334 6.935 ( 3.049 -3.812 0.649) 4.925 7.088 ( -12.102 2.124 -15.124) 19.486 7.779 ( 14.684 -10.891 10.999) 21.336 8.078 ( -1.599 -14.806 6.300) 16.170 8.490 ( -4.608 -23.457 13.569) 27.488 8.961 ( 6.379 -22.283 -5.752) 23.881 9.664 ( 3.591 -21.831 -7.774) 23.450 10.007 ( -4.842 -7.230 5.271) 10.174 10.243 ( 1.584 -12.547 9.478) 15.804 10.337 ( 1.642 -13.950 0.097) 14.046 11.094 ( 2.985 -14.989 -0.241) 15.285 11.621 ( -15.235 -8.838 3.490) 17.955 12.140 ( -13.033 9.668 -8.886) 18.501 12.664 ( 9.059 0.298 4.614) 10.171 13.736 ( -4.834 6.228 3.988) 8.835 13.911 ( 12.092 8.455 8.183) 16.872 14.146 ( 3.857 16.621 12.867) 21.371 14.422 ( 0.544 -4.787 -3.850) 6.167 14.453 ( -1.575 13.611 -0.422) 13.708 15.042 ( -2.313 20.777 -8.289) 22.489 15.981 ( 0.785 14.201 -15.997) 21.406 17.544 ( -7.320 -37.195 -2.243) 37.975 19.313 ( -1.566 -14.629 11.631) 18.754 21.505 ( -1.761 -13.893 9.855) 17.124 22.100 ( 12.882 -21.729 -22.256) 33.667 23.374 ( -4.006 -12.178 -0.428) 12.827 25.520 ( 9.166 0.125 -13.841) 16.601 27.952 ( 3.910 -1.723 14.513) 15.129 29.188 ( -12.537 11.080 3.411) 17.076 ======================= Grid point 661 (322/429) ======================= q-point: (-0.43 -0.71 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.239 ( -18.774 0.086 2.188) 18.901 4.620 ( 18.376 -15.095 -2.585) 23.922 4.741 ( -4.564 -10.358 -3.435) 11.829 5.025 ( 10.568 -6.401 -3.790) 12.924 5.161 ( -20.730 -8.660 10.088) 24.627 5.700 ( 13.579 6.475 6.215) 16.277 5.953 ( -2.331 -9.611 -17.513) 20.113 6.947 ( -10.964 0.676 -3.560) 11.547 7.019 ( 1.599 -1.652 -9.861) 10.126 7.970 ( 7.124 -2.254 8.343) 11.200 8.535 ( 7.173 -27.423 11.492) 30.587 8.971 ( -10.712 -28.777 16.560) 34.887 9.442 ( 9.042 -22.447 -9.959) 26.169 10.024 ( -3.149 -11.818 2.789) 12.544 10.211 ( 3.762 -19.705 -0.945) 20.083 10.476 ( 0.118 -7.627 9.845) 12.454 10.625 ( 2.574 -15.445 -7.430) 17.331 11.305 ( 0.399 -5.682 -1.295) 5.841 11.705 ( -6.088 -5.360 2.230) 8.412 11.918 ( -10.985 2.400 -10.763) 15.565 12.706 ( 5.612 0.405 6.147) 8.333 13.578 ( 2.813 11.700 5.069) 13.057 13.827 ( 5.287 15.847 11.924) 20.525 13.873 ( -0.936 7.111 1.214) 7.275 13.987 ( 0.730 20.369 2.782) 20.571 14.667 ( -0.011 4.446 -5.852) 7.349 14.859 ( -4.704 -18.121 -5.605) 19.543 15.831 ( -1.053 0.145 -10.236) 10.291 18.148 ( -4.516 -30.586 -1.681) 30.963 19.495 ( -1.602 -4.981 6.917) 8.673 21.701 ( -1.053 -5.458 10.259) 11.668 22.414 ( 10.076 -9.365 -22.294) 26.197 23.638 ( -2.191 -16.648 1.118) 16.828 25.511 ( 4.930 2.994 -10.698) 12.154 28.036 ( 3.561 -1.906 13.725) 14.307 28.916 ( -9.728 11.405 2.969) 15.281 ======================= Grid point 662 (323/429) ======================= q-point: (-0.36 -0.71 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.114 ( -16.567 1.446 2.510) 16.819 4.743 ( 2.295 -2.686 -12.798) 13.277 5.071 ( -2.783 -16.367 9.788) 19.273 5.174 ( 10.719 -2.989 0.598) 11.144 5.295 ( -7.807 -10.661 2.926) 13.534 5.653 ( 8.146 2.859 10.913) 13.915 6.100 ( 1.847 -7.685 -15.325) 17.243 6.863 ( -10.452 -0.093 -7.077) 12.623 7.037 ( 1.298 -0.310 -4.865) 5.045 8.051 ( 6.335 -1.193 8.983) 11.057 9.095 ( 5.845 -23.599 6.077) 25.060 9.498 ( -11.336 -29.048 16.596) 35.323 9.755 ( 1.473 -8.452 -0.437) 8.591 10.283 ( 5.896 -15.959 3.662) 17.403 10.545 ( 0.470 0.031 1.598) 1.666 10.593 ( -0.314 -15.032 1.455) 15.106 10.923 ( 2.530 -17.118 -15.287) 23.089 11.305 ( 1.443 5.379 -3.330) 6.489 11.704 ( 0.179 2.814 0.278) 2.833 11.937 ( -11.612 -11.138 -6.993) 17.544 12.764 ( 1.089 -3.676 6.971) 7.955 13.331 ( 8.712 21.119 3.799) 23.159 13.493 ( -7.384 10.998 12.013) 17.883 13.596 ( 0.995 20.597 -1.562) 20.680 13.954 ( 3.557 -6.308 1.803) 7.463 14.573 ( -2.546 0.910 -5.252) 5.907 15.272 ( -0.872 -23.559 -1.605) 23.630 15.874 ( -1.404 -5.619 -5.994) 8.335 18.640 ( -1.333 -23.823 -1.333) 23.897 19.546 ( -0.814 -0.918 3.364) 3.581 21.739 ( -1.515 2.334 9.767) 10.156 22.526 ( 7.203 -2.398 -20.418) 21.784 23.938 ( -0.342 -14.777 1.614) 14.869 25.425 ( 1.573 6.117 -7.491) 9.798 28.115 ( 2.654 -1.919 12.794) 13.207 28.658 ( -7.700 10.888 2.307) 13.533 ======================= Grid point 663 (324/429) ======================= q-point: (-0.29 -0.71 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.041 ( -12.729 -2.613 5.278) 14.025 4.799 ( 0.292 -4.255 -8.217) 9.258 5.098 ( 1.682 7.063 0.082) 7.261 5.343 ( -5.241 -3.989 17.075) 18.301 5.493 ( 5.045 -11.936 -1.601) 13.057 5.765 ( 6.020 -6.461 7.095) 11.328 6.194 ( 2.975 -3.496 -13.065) 13.848 6.811 ( -6.693 -1.347 -7.589) 10.208 7.025 ( -0.193 1.110 -3.137) 3.334 8.130 ( 6.191 -1.449 8.371) 10.512 9.449 ( 0.024 -9.642 -3.478) 10.250 9.806 ( -8.714 -9.548 6.794) 14.603 10.004 ( -0.183 -14.089 21.651) 25.832 10.469 ( 0.268 -0.143 9.036) 9.041 10.681 ( 4.475 -10.689 -8.566) 14.411 10.777 ( 1.499 -8.365 -3.453) 9.173 11.120 ( 1.210 13.298 -4.924) 14.232 11.221 ( 2.664 -14.682 -16.023) 21.895 11.672 ( -0.894 -0.466 1.871) 2.125 12.079 ( -5.796 -9.280 -5.088) 12.067 12.848 ( -1.653 1.903 4.743) 5.371 13.009 ( -1.966 7.980 6.463) 10.455 13.169 ( 3.171 23.909 -2.311) 24.229 13.376 ( -1.784 3.710 11.955) 12.643 14.144 ( 2.785 -10.651 -0.723) 11.033 14.554 ( -0.658 0.310 -3.403) 3.480 15.681 ( -0.298 -19.312 0.629) 19.325 15.945 ( -0.828 -2.174 -3.659) 4.336 19.034 ( 1.143 -18.418 -1.151) 18.489 19.553 ( -0.472 -0.042 0.838) 0.962 21.650 ( -2.292 7.148 8.901) 11.643 22.540 ( 5.648 0.519 -18.703) 19.544 24.184 ( 0.252 -10.907 2.133) 11.116 25.281 ( -0.021 8.034 -4.863) 9.391 28.185 ( 1.509 -1.001 12.444) 12.575 28.440 ( -6.149 7.236 1.498) 9.613 ======================= Grid point 664 (325/429) ======================= q-point: (-0.21 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.087 ( -7.994 -6.741 10.146) 14.570 4.848 ( -0.452 -1.055 -5.350) 5.471 4.952 ( 4.981 8.815 0.318) 10.130 5.344 ( -7.563 1.777 11.594) 13.956 5.701 ( 3.049 -5.657 5.061) 8.180 5.900 ( 5.827 -1.426 1.511) 6.186 6.231 ( 1.297 -2.588 -12.051) 12.394 6.805 ( -1.030 -1.705 -7.257) 7.526 6.985 ( -1.068 2.108 -1.549) 2.826 8.199 ( 4.591 -0.693 6.089) 7.657 9.446 ( -6.810 4.800 -5.134) 9.787 9.918 ( -1.592 -0.121 12.203) 12.307 10.161 ( -2.991 -1.425 15.040) 15.401 10.534 ( 2.097 -3.480 6.023) 7.265 10.694 ( -5.622 3.459 -3.760) 7.596 10.836 ( -0.639 13.592 -4.831) 14.439 11.001 ( 10.376 -6.641 -8.065) 14.725 11.426 ( 1.998 -8.100 -13.375) 15.763 11.750 ( -2.210 -8.344 4.202) 9.601 12.181 ( 0.456 -4.447 -5.266) 6.907 12.672 ( -0.403 9.366 1.927) 9.570 12.709 ( 1.365 19.926 -1.346) 20.018 13.134 ( -6.406 -9.909 10.209) 15.603 13.333 ( -1.814 1.755 8.319) 8.693 14.349 ( 3.547 -8.569 -1.560) 9.405 14.510 ( 0.933 4.169 -2.346) 4.874 15.893 ( -0.486 5.927 -2.369) 6.401 15.973 ( -0.179 -9.790 1.720) 9.941 19.343 ( 1.436 -13.301 -0.453) 13.386 19.545 ( -1.006 0.452 -1.216) 1.642 21.501 ( -2.264 8.200 8.132) 11.768 22.515 ( 5.409 1.691 -17.721) 18.605 24.358 ( -1.359 -7.115 2.762) 7.752 25.122 ( 1.653 7.825 -3.883) 8.891 28.135 ( -2.192 7.692 7.382) 10.884 28.419 ( -2.214 -6.824 6.369) 9.593 ======================= Grid point 665 (326/429) ======================= q-point: (-0.14 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.196 ( -3.632 -3.696 16.311) 17.114 4.776 ( 2.330 5.611 -2.207) 6.464 4.876 ( 3.540 3.882 1.848) 5.569 5.254 ( -4.659 4.941 2.531) 7.248 5.689 ( -7.521 7.403 3.350) 11.072 5.917 ( 10.446 2.211 -3.631) 11.278 6.269 ( -1.688 -2.266 -8.471) 8.929 6.830 ( 5.246 -0.760 -4.516) 6.963 6.935 ( -0.897 2.163 -0.187) 2.349 8.224 ( 2.076 1.071 2.966) 3.776 9.201 ( -9.747 15.406 -2.040) 18.344 9.770 ( -1.008 16.943 14.168) 22.109 10.155 ( -0.658 3.219 11.005) 11.485 10.479 ( -6.265 13.681 -1.253) 15.099 10.582 ( 1.383 1.959 -5.734) 6.215 10.655 ( -0.718 3.674 0.978) 3.869 11.063 ( 8.343 4.964 -7.546) 12.296 11.492 ( 0.773 -1.022 -10.097) 10.178 11.894 ( -8.062 -4.694 4.732) 10.460 12.277 ( 10.499 0.001 -3.653) 11.117 12.410 ( 2.550 1.804 -0.042) 3.124 12.656 ( 0.177 -4.126 1.040) 4.258 13.178 ( -3.793 4.990 10.453) 12.188 13.407 ( -7.295 -10.942 4.726) 13.974 14.387 ( -0.909 5.479 -3.704) 6.676 14.519 ( 6.104 -5.155 -0.589) 8.011 15.684 ( 0.076 14.719 -2.306) 14.899 16.065 ( -0.889 0.614 2.449) 2.677 19.446 ( -3.751 4.020 -0.581) 5.528 19.589 ( -0.670 -7.186 -1.089) 7.299 21.372 ( 0.055 5.778 7.798) 9.705 22.473 ( 6.319 3.073 -17.928) 19.256 24.420 ( -7.319 -0.554 3.872) 8.298 25.020 ( 8.757 4.374 -5.704) 11.329 27.984 ( -2.481 7.299 5.450) 9.441 28.615 ( -1.818 -12.813 9.148) 15.848 ======================= Grid point 666 (327/429) ======================= q-point: (-0.07 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.147 ( 0.449 12.560 17.582) 21.612 4.692 ( 2.972 7.584 14.100) 16.284 4.886 ( 4.941 -4.508 -5.271) 8.516 5.101 ( 0.098 10.027 -7.856) 12.738 5.441 ( -13.041 9.203 -3.722) 16.389 5.913 ( 10.753 5.083 -2.524) 12.159 6.215 ( -5.787 4.251 -8.687) 11.271 6.886 ( 9.519 -0.970 1.564) 9.695 6.894 ( 1.794 2.615 0.467) 3.206 8.196 ( -0.876 2.405 -0.608) 2.631 8.750 ( -11.300 24.785 0.317) 27.242 9.367 ( 1.186 27.317 13.952) 30.696 10.072 ( 2.222 8.967 11.141) 14.473 10.145 ( -10.922 15.039 -5.805) 19.472 10.446 ( 2.508 10.335 -13.559) 17.232 10.590 ( -2.273 7.575 10.398) 13.064 10.905 ( 4.680 13.200 -6.631) 15.495 11.521 ( -0.177 -5.820 -6.503) 8.729 11.819 ( -6.490 6.008 3.249) 9.422 12.201 ( 9.808 6.661 1.705) 11.978 12.725 ( -1.471 -21.072 -5.997) 21.958 12.828 ( 5.744 -12.173 1.831) 13.584 13.058 ( -1.486 4.584 12.100) 13.024 13.565 ( -4.933 -7.814 1.251) 9.325 14.304 ( -2.723 0.021 -2.823) 3.922 14.647 ( 4.775 -4.918 -1.157) 6.952 15.360 ( 0.642 18.380 -2.160) 18.517 15.966 ( -0.695 8.740 1.663) 8.924 19.240 ( -8.206 13.739 -3.814) 16.451 19.665 ( -4.748 -1.359 4.099) 6.418 21.323 ( 4.248 2.556 7.663) 9.126 22.391 ( 8.227 6.806 -19.739) 22.441 24.296 ( -12.919 7.713 4.405) 15.678 25.038 ( 15.955 0.915 -9.058) 18.370 27.860 ( -1.616 5.663 5.752) 8.232 28.899 ( -3.102 -16.525 10.228) 19.680 ======================= Grid point 672 (328/429) ======================= q-point: ( 0.36 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 10.793 0.000 10.971) 15.390 3.413 ( -1.401 -0.000 -1.405) 1.984 4.272 ( -15.955 -0.000 1.778) 16.053 4.392 ( 7.976 0.000 20.765) 22.244 5.114 ( 14.280 0.000 -15.155) 20.823 5.776 ( 7.538 0.000 -10.318) 12.778 6.006 ( -3.025 -0.000 5.299) 6.101 6.502 ( 27.780 0.000 2.059) 27.856 7.014 ( 3.091 0.000 -11.915) 12.309 7.578 ( -12.667 -0.000 -12.184) 17.575 7.639 ( -1.646 -0.000 -3.739) 4.085 7.814 ( -0.639 -0.000 -0.058) 0.642 8.850 ( 5.271 0.000 -6.230) 8.161 9.110 ( 0.811 0.000 6.531) 6.581 9.129 ( -2.088 -0.000 13.509) 13.669 9.949 ( -9.854 -0.000 10.956) 14.736 10.115 ( 9.667 0.000 -4.516) 10.670 10.238 ( -0.449 -0.000 -0.740) 0.866 11.378 ( -26.554 -0.000 11.257) 28.842 12.425 ( 3.624 0.000 -14.899) 15.334 12.671 ( -13.659 -0.000 9.672) 16.737 13.776 ( 0.430 0.000 -6.180) 6.195 14.205 ( 7.624 0.000 8.665) 11.542 14.475 ( -2.803 -0.000 8.726) 9.165 14.749 ( -0.050 -0.000 -1.195) 1.196 15.201 ( -5.299 -0.000 14.038) 15.005 15.552 ( 2.833 0.000 -4.906) 5.665 16.804 ( -0.317 -0.000 0.789) 0.850 17.589 ( -11.265 -0.000 2.164) 11.471 17.741 ( 37.287 0.000 -20.007) 42.316 20.174 ( -0.366 -0.000 1.575) 1.617 21.149 ( 0.431 0.000 -1.172) 1.249 23.146 ( -2.307 -0.000 -5.339) 5.816 25.442 ( 14.972 0.000 -18.152) 23.530 27.862 ( 3.237 0.000 14.908) 15.255 29.662 ( -19.196 -0.000 2.997) 19.429 ======================= Grid point 673 (329/429) ======================= q-point: ( 0.43 0.36 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 7.930 -30.683 10.870) 33.504 3.513 ( 0.931 -11.164 -1.126) 11.259 4.188 ( -26.773 -4.773 5.821) 27.811 4.586 ( 6.877 -8.138 21.779) 24.246 5.127 ( 15.422 1.733 -22.666) 27.470 5.601 ( 1.134 12.228 -8.384) 14.870 6.149 ( 6.305 -4.369 -1.490) 7.814 6.692 ( 15.446 -5.004 2.290) 16.397 7.124 ( 5.536 -9.540 -7.793) 13.505 7.367 ( -11.602 4.688 -10.254) 16.178 7.724 ( -3.833 -5.913 -3.812) 8.012 7.911 ( 1.751 -10.595 2.130) 10.948 8.743 ( 4.319 12.012 5.584) 13.932 9.050 ( 1.808 -9.102 -5.819) 10.953 9.499 ( -0.950 -18.935 11.147) 21.992 9.950 ( -13.023 -4.138 13.560) 19.251 10.070 ( 10.678 2.775 -3.476) 11.568 10.462 ( 6.203 -15.494 -2.216) 16.836 11.303 ( -23.125 -5.488 8.008) 25.080 12.375 ( -8.649 1.980 -11.206) 14.293 12.644 ( 0.240 -0.365 8.660) 8.671 13.815 ( -0.878 -4.722 -5.156) 7.046 14.210 ( 9.554 7.119 3.221) 12.342 14.287 ( -3.628 12.802 13.302) 18.814 14.641 ( 2.246 7.303 5.770) 9.575 15.203 ( -3.343 9.171 -0.871) 9.800 15.749 ( 1.947 -13.065 4.950) 14.106 16.471 ( -0.607 14.438 -4.216) 15.053 17.175 ( -0.059 36.900 -22.887) 43.422 18.293 ( 13.968 -34.672 9.305) 38.521 20.566 ( -1.786 -33.238 0.525) 33.290 21.258 ( 4.183 -11.891 -5.105) 13.600 23.143 ( -1.364 -1.910 -4.862) 5.399 25.495 ( 11.888 -0.667 -16.768) 20.566 27.914 ( 3.546 -0.387 15.635) 16.037 29.511 ( -17.036 5.010 2.979) 18.005 ======================= Grid point 674 (330/429) ======================= q-point: (-0.50 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.806 ( -8.153 -20.867 5.430) 23.052 3.936 ( 16.866 -31.900 5.887) 36.561 4.169 ( -25.273 -8.483 7.269) 27.632 4.780 ( 1.703 -5.571 17.420) 18.368 5.230 ( 11.627 -9.343 -33.136) 36.339 5.353 ( -3.382 10.573 -5.380) 12.335 6.156 ( 9.206 6.993 -1.379) 11.643 6.858 ( 3.019 -5.977 1.430) 6.847 7.073 ( -8.363 5.608 -14.184) 17.395 7.557 ( 3.595 -19.807 6.165) 21.053 7.838 ( -3.640 -9.784 0.245) 10.442 8.179 ( 2.978 -13.203 7.589) 15.517 8.690 ( 4.842 -6.084 -0.358) 7.784 9.303 ( 4.077 -16.671 -8.757) 19.268 9.827 ( -1.024 -12.618 9.480) 15.816 9.999 ( -9.704 -9.036 6.120) 14.604 10.198 ( 12.553 -7.346 4.735) 15.296 10.808 ( 5.121 -16.925 -1.454) 17.742 11.340 ( -18.452 -9.839 3.798) 21.254 12.215 ( -10.517 6.462 -6.901) 14.142 12.703 ( 5.374 -1.564 6.121) 8.294 13.830 ( -6.013 4.170 4.309) 8.492 14.104 ( 9.158 2.204 -4.229) 10.325 14.211 ( 2.986 0.741 12.028) 12.415 14.494 ( 2.264 11.767 7.813) 14.305 14.877 ( -3.190 20.951 -1.345) 21.235 15.549 ( 4.401 29.274 -1.237) 29.629 16.342 ( -7.215 25.471 -20.975) 33.776 16.824 ( -0.268 -29.143 -3.067) 29.305 18.961 ( 5.324 -25.798 10.624) 28.404 21.131 ( -6.276 -25.480 7.635) 27.330 21.658 ( 11.759 -26.081 -17.249) 33.407 23.193 ( -1.009 -5.416 -3.291) 6.418 25.537 ( 7.978 -0.643 -14.812) 16.837 27.978 ( 3.788 -1.032 15.697) 16.180 29.299 ( -13.786 8.170 3.192) 16.340 ======================= Grid point 675 (331/429) ======================= q-point: (-0.43 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.069 ( -19.097 -8.603 9.809) 23.129 4.286 ( -11.223 -19.670 4.736) 23.136 4.548 ( 16.964 -17.846 0.535) 24.628 4.920 ( -2.302 -6.671 9.024) 11.456 5.088 ( -1.657 7.379 -11.143) 13.466 5.544 ( 4.433 -18.971 -22.585) 29.827 6.029 ( 7.509 11.010 3.382) 13.749 6.890 ( -11.230 1.216 -5.012) 12.358 6.987 ( 4.006 -1.901 -7.967) 9.118 7.923 ( 4.324 -10.405 6.480) 12.998 8.093 ( -2.893 -22.228 8.262) 23.889 8.473 ( -5.385 -18.479 14.290) 23.972 9.029 ( 9.007 -23.261 -8.704) 26.419 9.686 ( 5.341 -21.621 -7.759) 23.583 9.979 ( -2.879 -7.248 5.876) 9.765 10.244 ( -2.451 -15.972 5.286) 17.001 10.448 ( 12.042 -9.144 5.270) 16.013 11.115 ( 0.347 -13.354 -1.082) 13.403 11.456 ( -13.555 -11.536 -0.231) 17.801 12.008 ( -3.985 8.952 -6.145) 11.567 12.756 ( 2.467 0.191 6.631) 7.078 13.691 ( -5.458 5.743 5.098) 9.421 14.078 ( 11.196 7.385 5.741) 14.589 14.219 ( 0.044 17.476 15.400) 23.293 14.409 ( -1.392 7.203 -3.450) 8.106 14.438 ( 0.369 0.531 -2.895) 2.967 14.995 ( 0.116 25.798 -8.186) 27.066 15.896 ( -4.632 11.747 -15.525) 20.011 17.487 ( -1.480 -36.573 -1.659) 36.640 19.352 ( 1.986 -12.208 8.377) 14.938 21.501 ( -5.376 -16.052 10.258) 19.794 22.160 ( 11.733 -20.459 -22.612) 32.673 23.347 ( -0.367 -12.237 -0.824) 12.270 25.548 ( 3.776 0.680 -12.316) 12.900 28.053 ( 3.614 -1.477 14.784) 15.291 29.063 ( -10.749 9.827 3.496) 14.977 ======================= Grid point 676 (332/429) ======================= q-point: (-0.36 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.042 ( -18.664 -0.532 9.925) 21.146 4.644 ( -12.990 -21.193 3.824) 25.150 4.730 ( 3.213 0.176 -14.568) 14.919 5.042 ( -4.504 -10.996 17.725) 21.340 5.166 ( 17.215 -7.077 -8.617) 20.511 5.840 ( -6.347 -7.121 -10.923) 14.502 5.892 ( 16.016 2.263 -0.367) 16.179 6.797 ( -8.623 0.591 -8.122) 11.860 7.027 ( 1.652 -1.042 -3.066) 3.636 8.062 ( 4.199 -3.042 5.755) 7.746 8.630 ( -0.353 -30.522 9.119) 31.857 8.883 ( -12.235 -26.869 15.015) 33.123 9.506 ( 7.532 -20.499 -9.001) 23.622 10.034 ( 2.292 -13.504 4.782) 14.508 10.249 ( 3.876 -20.532 -2.053) 20.996 10.506 ( 0.504 -9.456 5.152) 10.780 10.664 ( 7.249 -7.980 -4.133) 11.546 11.299 ( -0.741 -6.277 -1.053) 6.408 11.607 ( -9.603 -12.270 -2.847) 15.839 11.828 ( 0.167 7.734 -4.744) 9.075 12.754 ( -2.135 0.699 6.878) 7.236 13.575 ( -8.337 4.582 8.694) 12.887 13.836 ( 0.886 22.929 1.498) 22.995 13.944 ( 5.656 16.997 4.326) 18.428 14.064 ( 6.906 11.272 5.756) 14.418 14.630 ( -1.136 9.865 -8.269) 12.922 14.810 ( -0.750 -23.340 -3.653) 23.636 15.764 ( -3.958 -1.712 -9.076) 10.048 18.121 ( 0.958 -30.729 -1.612) 30.786 19.515 ( 1.201 -3.695 5.388) 6.643 21.706 ( -4.648 -6.602 10.612) 13.335 22.440 ( 8.852 -8.114 -22.853) 25.816 23.636 ( 1.276 -16.941 0.493) 16.996 25.503 ( 0.133 3.210 -9.308) 9.847 28.126 ( 2.800 -1.397 13.153) 13.520 28.820 ( -8.459 10.578 3.714) 14.045 ======================= Grid point 677 (333/429) ======================= q-point: (-0.29 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.956 ( -14.158 0.086 10.005) 17.337 4.703 ( -0.990 -2.894 -11.685) 12.079 4.956 ( -15.925 -16.381 3.762) 23.154 5.241 ( -2.383 -7.092 17.410) 18.949 5.396 ( 19.242 -6.813 -9.754) 22.623 5.779 ( 6.395 2.698 6.735) 9.671 6.075 ( 3.681 -7.879 -14.019) 16.497 6.745 ( -4.028 -0.794 -6.877) 8.009 7.034 ( -0.252 0.259 -1.166) 1.220 8.143 ( 3.980 -1.996 5.972) 7.449 9.161 ( 2.000 -21.979 0.241) 22.071 9.362 ( -17.090 -27.950 11.855) 34.840 9.809 ( 2.861 -11.285 9.986) 15.338 10.387 ( 8.127 -18.555 0.312) 20.259 10.536 ( -2.071 -0.944 7.822) 8.146 10.629 ( 5.831 -8.563 -3.920) 11.076 10.894 ( 2.792 -15.778 -16.640) 23.100 11.313 ( 2.146 5.471 -4.144) 7.191 11.706 ( -0.183 4.047 0.258) 4.059 11.807 ( -6.915 -13.905 -2.334) 15.704 12.764 ( -5.554 -3.425 6.548) 9.244 13.336 ( -11.864 18.396 3.177) 22.120 13.499 ( 4.336 10.634 12.145) 16.715 13.627 ( 4.545 21.372 -2.675) 22.013 14.022 ( 5.818 -2.822 0.521) 6.488 14.543 ( 1.145 0.164 -4.388) 4.538 15.259 ( -0.488 -24.177 -1.271) 24.215 15.830 ( -2.652 -7.077 -4.737) 8.919 18.646 ( 3.376 -23.959 -1.632) 24.250 19.557 ( 0.823 0.033 2.837) 2.955 21.740 ( -4.563 1.800 10.024) 11.160 22.528 ( 6.483 -1.864 -20.925) 21.985 23.954 ( 2.244 -14.621 1.000) 14.826 25.396 ( -2.142 5.749 -6.236) 8.748 28.190 ( 1.777 -1.585 11.734) 11.973 28.581 ( -6.933 10.536 3.508) 13.091 ======================= Grid point 678 (334/429) ======================= q-point: (-0.21 -0.64 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.949 ( -8.125 -4.510 11.496) 14.782 4.758 ( -1.858 -5.121 -8.390) 10.003 5.055 ( -7.641 -1.144 -0.452) 7.739 5.325 ( -5.159 -1.375 15.748) 16.629 5.609 ( 10.812 -7.231 -0.052) 13.007 5.870 ( 8.092 -5.025 2.978) 9.980 6.160 ( -0.200 -3.219 -14.713) 15.063 6.759 ( 2.816 -2.179 -4.484) 5.726 7.012 ( -1.104 1.450 -0.094) 1.824 8.205 ( 2.035 -1.594 3.743) 4.549 9.410 ( -4.793 -5.414 -4.430) 8.480 9.741 ( -5.338 -17.893 10.066) 21.213 10.069 ( -2.498 -10.158 19.122) 21.796 10.506 ( 0.205 0.629 4.324) 4.374 10.660 ( -1.842 -4.855 -1.287) 5.349 10.849 ( 10.777 -11.397 -5.427) 16.597 11.102 ( 0.370 7.970 -9.027) 12.048 11.197 ( 3.272 -9.741 -13.909) 17.293 11.673 ( -0.409 -0.516 2.716) 2.795 12.014 ( -2.784 -10.751 -1.600) 11.221 12.829 ( -5.280 -2.113 5.279) 7.759 12.963 ( -7.779 10.998 3.401) 13.894 13.202 ( 3.204 23.620 -1.859) 23.909 13.402 ( -1.362 4.363 11.499) 12.374 14.192 ( 5.661 -9.827 -2.470) 11.607 14.554 ( 2.335 0.284 -1.719) 2.913 15.677 ( -0.720 -19.629 0.406) 19.646 15.920 ( -1.269 -3.080 -2.643) 4.253 19.062 ( 4.519 -18.007 -1.618) 18.636 19.551 ( -0.343 0.974 0.916) 1.380 21.646 ( -4.254 6.655 8.871) 11.878 22.534 ( 5.561 0.501 -18.842) 19.652 24.202 ( 1.658 -10.072 1.776) 10.361 25.251 ( -2.156 6.724 -4.058) 8.145 28.252 ( 1.620 -0.136 12.726) 12.829 28.370 ( -6.447 6.266 1.323) 9.087 ======================= Grid point 679 (335/429) ======================= q-point: (-0.14 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.072 ( -2.301 -8.591 14.053) 16.631 4.811 ( -1.893 -2.310 -6.979) 7.591 4.970 ( -0.874 5.161 -2.904) 5.986 5.309 ( -6.277 2.598 14.724) 16.216 5.740 ( -0.401 -0.654 4.918) 4.977 5.988 ( 9.452 -0.844 -4.021) 10.306 6.177 ( -2.252 -3.528 -12.196) 12.894 6.829 ( 7.722 -2.122 -1.784) 8.204 6.971 ( -0.622 2.036 0.020) 2.129 8.233 ( -1.225 -0.589 0.028) 1.359 9.358 ( -6.724 6.150 1.605) 9.252 9.943 ( -0.877 -0.543 9.362) 9.419 10.180 ( -2.548 -2.311 14.374) 14.780 10.534 ( -4.851 -1.899 -1.780) 5.505 10.658 ( 1.036 2.516 1.732) 3.226 10.814 ( -0.027 13.341 -4.362) 14.036 11.099 ( 10.379 -4.573 -6.837) 13.244 11.390 ( 0.601 -8.378 -13.431) 15.841 11.739 ( -2.222 -6.052 3.910) 7.540 12.171 ( 0.855 -7.687 -3.731) 8.588 12.685 ( 0.943 7.671 2.738) 8.200 12.738 ( 4.172 19.175 -1.191) 19.660 13.063 ( -10.996 -10.414 8.099) 17.174 13.338 ( -2.771 3.346 8.085) 9.178 14.383 ( 3.184 -6.181 -3.294) 7.693 14.535 ( 3.968 2.604 0.034) 4.746 15.878 ( -0.574 5.420 -2.003) 5.806 15.970 ( -1.276 -9.774 1.132) 9.921 19.366 ( 2.761 -11.378 -0.695) 11.728 19.520 ( -2.467 1.314 -1.002) 2.969 21.505 ( -2.302 6.949 8.045) 10.877 22.515 ( 5.877 1.349 -17.518) 18.527 24.350 ( -1.686 -4.636 2.926) 5.736 25.127 ( 1.719 4.679 -4.065) 6.432 28.137 ( -2.219 9.082 7.267) 11.841 28.418 ( -2.142 -8.474 6.486) 10.884 ======================= Grid point 680 (336/429) ======================= q-point: (-0.07 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.251 ( 2.376 -5.050 17.065) 17.954 4.784 ( 1.223 2.155 -4.760) 5.366 4.894 ( -0.207 2.026 -4.347) 4.800 5.215 ( -5.643 5.645 9.358) 12.300 5.598 ( -8.129 12.186 -0.237) 14.651 6.029 ( 10.873 1.370 -5.909) 12.450 6.199 ( -4.896 -0.994 -7.219) 8.779 6.897 ( 2.810 -0.311 2.445) 3.738 6.958 ( 8.412 0.014 -1.226) 8.500 8.209 ( -4.725 0.976 -3.914) 6.213 9.108 ( -6.695 17.063 6.285) 19.376 9.796 ( -3.472 15.261 13.347) 20.569 10.193 ( 0.695 3.210 7.010) 7.741 10.384 ( -8.040 13.650 2.262) 16.002 10.583 ( 4.584 5.512 -12.841) 14.706 10.687 ( 2.000 2.352 7.168) 7.805 11.125 ( 6.966 6.357 -7.144) 11.831 11.450 ( -1.306 -1.742 -10.770) 10.988 11.817 ( -7.325 -2.551 3.367) 8.455 12.356 ( 4.721 -11.258 -5.883) 13.551 12.451 ( 5.857 10.449 1.487) 12.071 12.700 ( 5.053 -4.759 3.477) 7.764 13.163 ( -5.121 1.369 8.941) 10.395 13.338 ( -6.781 -9.145 4.984) 12.428 14.358 ( -2.061 5.727 -2.707) 6.661 14.592 ( 6.086 -3.851 -0.661) 7.232 15.675 ( -0.037 14.475 -2.137) 14.632 16.053 ( -2.052 0.454 0.887) 2.281 19.379 ( -7.001 6.920 -1.251) 9.923 19.577 ( -0.842 -6.032 -0.043) 6.091 21.416 ( 2.161 3.611 7.952) 8.997 22.485 ( 7.116 2.570 -17.588) 19.147 24.346 ( -7.637 3.146 4.087) 9.216 25.103 ( 9.032 0.089 -6.522) 11.141 27.984 ( -1.480 7.184 6.719) 9.947 28.621 ( -2.581 -12.863 7.736) 15.230 ======================= Grid point 687 (337/429) ======================= q-point: (-0.57 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -0.092 -0.000 13.576) 13.576 3.409 ( 3.083 0.000 -3.967) 5.024 3.991 ( -28.419 -0.000 10.649) 30.349 4.588 ( 4.893 0.000 23.926) 24.421 5.196 ( 12.883 0.000 -25.439) 28.516 5.814 ( 4.156 0.000 -7.230) 8.339 6.003 ( -0.454 -0.000 4.380) 4.404 6.813 ( 23.157 0.000 -0.891) 23.174 6.993 ( 0.462 0.000 -10.012) 10.022 7.365 ( -15.406 -0.000 -13.043) 20.186 7.607 ( -1.248 -0.000 -3.867) 4.064 7.812 ( 0.495 0.000 -0.636) 0.805 8.915 ( 9.945 0.000 -7.321) 12.349 9.137 ( -4.135 -0.000 12.408) 13.079 9.147 ( 1.239 0.000 6.138) 6.262 9.882 ( -8.534 -0.000 16.729) 18.780 10.228 ( -0.749 -0.000 -0.694) 1.021 10.262 ( 16.424 0.000 -5.267) 17.248 11.135 ( -20.159 -0.000 6.121) 21.067 12.323 ( -9.731 -0.000 -7.682) 12.398 12.660 ( 2.558 0.000 8.263) 8.650 13.754 ( -0.004 -0.000 -7.049) 7.049 14.324 ( 7.025 0.000 8.016) 10.659 14.470 ( -3.398 -0.000 9.041) 9.658 14.745 ( 0.161 0.000 -1.188) 1.199 15.180 ( -7.199 -0.000 13.011) 14.870 15.588 ( 6.218 0.000 -4.724) 7.809 16.803 ( -0.271 -0.000 0.777) 0.823 17.427 ( -14.859 -0.000 -4.585) 15.550 18.069 ( 29.737 0.000 -16.798) 34.153 20.175 ( -0.416 -0.000 1.581) 1.635 21.150 ( 0.432 0.000 -1.179) 1.256 23.114 ( 0.084 0.000 -5.333) 5.333 25.519 ( 9.072 0.000 -16.138) 18.513 27.960 ( 3.327 0.000 16.228) 16.566 29.467 ( -15.608 -0.000 2.990) 15.891 ======================= Grid point 688 (338/429) ======================= q-point: (-0.50 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( -11.351 -27.782 15.845) 33.938 3.578 ( 11.441 -16.111 -5.359) 20.474 3.903 ( -27.547 -5.501 13.657) 31.235 4.705 ( -0.858 -5.453 23.434) 24.075 5.192 ( 12.888 1.517 -29.454) 32.186 5.580 ( -0.440 14.915 -5.454) 15.887 6.208 ( 4.877 -8.111 -0.421) 9.474 6.821 ( 4.771 1.964 -1.952) 5.517 7.134 ( -3.763 6.334 -10.650) 12.950 7.206 ( -5.559 -14.521 -3.511) 15.940 7.674 ( -2.091 -5.651 -3.913) 7.184 7.945 ( 2.977 -13.198 1.186) 13.582 8.817 ( 3.831 13.671 6.036) 15.427 9.064 ( 6.899 -9.729 -9.505) 15.251 9.531 ( -0.139 -19.322 10.106) 21.806 9.876 ( -7.802 -1.161 11.377) 13.844 10.195 ( 10.047 -1.273 3.133) 10.601 10.535 ( 8.068 -14.484 -2.637) 16.788 11.090 ( -16.387 -5.610 3.010) 17.580 12.233 ( -7.925 2.571 -4.751) 9.591 12.709 ( 3.801 -1.402 7.272) 8.324 13.779 ( -1.852 -3.651 -5.383) 6.763 14.276 ( 0.467 13.049 1.910) 13.196 14.350 ( 5.060 4.217 13.568) 15.082 14.683 ( 2.061 5.794 3.257) 6.959 15.142 ( -7.598 8.487 2.307) 11.623 15.806 ( 5.007 -14.562 3.022) 15.693 16.448 ( -0.761 21.351 -3.850) 21.709 17.037 ( -10.006 30.801 -16.201) 36.212 18.497 ( 17.447 -27.874 -0.957) 32.898 20.540 ( -3.726 -31.066 2.530) 31.391 21.287 ( 4.460 -14.699 -6.439) 16.655 23.122 ( 0.858 -1.777 -4.899) 5.282 25.537 ( 5.274 -0.472 -14.960) 15.869 28.014 ( 3.022 -0.508 16.113) 16.401 29.347 ( -12.440 4.405 3.601) 13.679 ======================= Grid point 689 (339/429) ======================= q-point: (-0.43 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( -17.852 -24.286 14.385) 33.398 3.898 ( -26.825 -9.562 12.708) 31.185 4.168 ( 16.816 -31.509 0.761) 35.724 4.842 ( -1.456 -5.092 15.600) 16.474 5.199 ( 6.430 1.900 -33.065) 33.738 5.329 ( 1.369 4.615 -4.877) 6.853 6.258 ( 9.308 6.024 -0.997) 11.132 6.822 ( -11.467 -1.094 -0.648) 11.537 6.979 ( 1.917 1.410 -11.049) 11.303 7.556 ( -8.380 -22.677 7.106) 25.199 7.797 ( -2.703 -9.936 -1.050) 10.351 8.250 ( 3.465 -12.804 7.781) 15.379 8.745 ( 5.275 -6.058 -2.837) 8.519 9.343 ( 9.365 -16.387 -10.986) 21.839 9.853 ( -0.495 -8.273 8.559) 11.914 9.942 ( -3.646 -13.369 5.668) 14.971 10.381 ( 14.402 -7.991 7.715) 18.187 10.845 ( 2.253 -14.581 -2.840) 15.025 11.160 ( -13.288 -10.467 1.169) 16.956 12.123 ( -1.275 5.280 -4.100) 6.806 12.765 ( 0.642 -0.984 7.048) 7.146 13.781 ( -4.575 3.342 3.863) 6.857 14.145 ( 1.519 -1.672 -3.745) 4.373 14.323 ( 7.470 4.605 10.376) 13.590 14.546 ( 2.256 11.479 6.267) 13.271 14.810 ( -7.767 19.906 -0.008) 21.367 15.601 ( 4.628 33.180 -0.037) 33.501 16.158 ( -10.890 21.525 -17.956) 30.072 16.819 ( 1.484 -28.156 -3.789) 28.449 19.077 ( 9.308 -21.875 4.981) 24.289 21.074 ( -8.488 -26.280 8.631) 28.934 21.723 ( 10.832 -26.525 -18.110) 33.895 23.184 ( 1.531 -5.403 -3.429) 6.580 25.539 ( 1.154 -0.450 -13.257) 13.315 28.075 ( 2.474 -1.126 14.908) 15.154 29.177 ( -9.097 7.663 4.729) 12.800 ======================= Grid point 690 (340/429) ======================= q-point: (-0.36 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( -20.764 -6.213 17.650) 27.951 4.095 ( -21.560 -25.205 7.847) 34.083 4.777 ( 16.704 -16.638 3.075) 23.775 4.833 ( -10.021 3.337 -0.808) 10.593 5.152 ( 14.642 -3.351 -8.714) 17.365 5.477 ( -1.676 -16.119 -18.762) 24.792 6.156 ( 12.251 9.937 1.501) 15.846 6.741 ( -10.598 0.057 -4.963) 11.703 7.006 ( 2.485 -1.592 -4.636) 5.496 7.961 ( -3.132 -16.603 8.711) 19.009 8.009 ( -13.209 -22.019 2.349) 25.784 8.502 ( 0.459 -14.064 14.533) 20.229 9.087 ( 6.363 -23.652 -10.180) 26.525 9.734 ( 8.041 -20.306 -8.837) 23.560 9.988 ( 1.111 -8.911 3.666) 9.699 10.256 ( 1.320 -15.934 5.683) 16.968 10.625 ( 14.044 -5.821 5.200) 16.067 11.084 ( -4.244 -12.738 -2.132) 13.595 11.319 ( -8.908 -12.216 0.166) 15.120 12.003 ( 6.009 8.348 -4.446) 11.205 12.761 ( -6.278 1.098 7.128) 9.562 13.654 ( -4.786 6.938 7.411) 11.223 14.176 ( 0.967 9.659 4.804) 10.831 14.306 ( 6.418 13.801 14.995) 21.366 14.349 ( -5.933 9.620 -5.342) 12.501 14.444 ( 2.975 -4.193 -3.968) 6.495 14.984 ( 2.491 29.152 -7.489) 30.202 15.767 ( -7.906 8.670 -12.521) 17.160 17.492 ( 3.419 -36.413 -1.949) 36.625 19.423 ( 5.680 -9.743 5.444) 12.523 21.460 ( -8.098 -17.700 10.551) 22.140 22.203 ( 10.386 -19.031 -23.504) 31.976 23.358 ( 2.901 -12.639 -1.134) 13.017 25.513 ( -2.471 0.608 -10.843) 11.137 28.138 ( 1.400 -1.414 12.540) 12.697 28.976 ( -6.580 9.743 6.165) 13.275 ======================= Grid point 691 (341/429) ======================= q-point: (-0.29 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.879 ( -17.809 -2.257 16.821) 24.601 4.466 ( -19.196 -24.119 7.603) 31.750 4.670 ( -1.921 3.318 -11.829) 12.435 5.112 ( 2.702 -10.177 14.578) 17.983 5.355 ( 19.738 -6.788 -11.757) 23.956 5.725 ( -5.269 -12.757 -8.885) 16.415 6.071 ( 14.366 6.398 -4.651) 16.400 6.702 ( -2.677 -1.164 -3.571) 4.612 7.025 ( -0.572 -0.588 -1.522) 1.729 8.114 ( 1.869 -4.165 2.481) 5.196 8.521 ( -21.365 -35.903 7.282) 42.409 8.884 ( 2.498 -21.613 12.905) 25.296 9.538 ( 2.241 -20.739 -5.826) 21.658 10.092 ( 3.806 -15.549 2.995) 16.286 10.294 ( 6.393 -19.702 -5.800) 21.510 10.545 ( 3.708 -11.073 4.646) 12.567 10.734 ( 6.409 -0.400 -5.482) 8.443 11.292 ( 0.704 -8.883 0.192) 8.912 11.505 ( -5.360 -12.807 -0.330) 13.887 11.849 ( 4.689 10.298 -2.738) 11.642 12.703 ( -10.456 0.063 6.105) 12.108 13.473 ( -13.765 9.251 10.179) 19.459 13.887 ( 4.732 17.423 1.577) 18.123 14.000 ( 3.819 17.614 -1.430) 18.080 14.161 ( 4.612 12.713 7.311) 15.373 14.605 ( 3.283 7.307 -8.030) 11.343 14.800 ( 0.576 -21.885 -2.739) 22.063 15.676 ( -5.808 -4.181 -6.185) 9.459 18.155 ( 5.883 -30.745 -2.001) 31.367 19.563 ( 3.895 -1.996 3.993) 5.925 21.675 ( -7.525 -7.632 10.932) 15.309 22.448 ( 7.546 -7.175 -23.766) 25.947 23.671 ( 4.641 -16.890 -0.110) 17.517 25.443 ( -4.937 2.675 -7.786) 9.600 28.189 ( -0.118 -1.389 9.636) 9.736 28.759 ( -4.926 10.919 7.511) 14.139 ======================= Grid point 692 (342/429) ======================= q-point: (-0.21 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( -10.296 -2.458 16.545) 19.641 4.636 ( -4.011 -3.796 -7.659) 9.443 4.790 ( -13.776 -17.432 3.589) 22.506 5.293 ( 0.273 -4.851 15.509) 16.252 5.554 ( 12.454 -6.144 -9.800) 16.997 5.852 ( 4.757 -3.433 1.912) 6.171 6.066 ( 3.077 -1.734 -16.401) 16.777 6.744 ( 7.241 -2.139 -0.648) 7.578 7.021 ( -1.710 0.211 0.351) 1.758 8.179 ( -0.421 -2.162 1.027) 2.431 9.039 ( -19.489 -28.156 2.017) 34.302 9.348 ( 5.610 -21.918 8.942) 24.327 9.861 ( -1.286 -13.988 10.973) 17.824 10.416 ( -1.692 -14.665 -1.049) 14.799 10.599 ( 4.927 0.366 6.505) 8.169 10.687 ( 7.543 -11.602 -6.392) 15.244 10.869 ( 4.015 -13.003 -15.201) 20.403 11.325 ( 3.190 6.487 -5.896) 9.328 11.705 ( -0.427 2.198 2.949) 3.703 11.766 ( -0.661 -12.488 2.339) 12.722 12.687 ( -11.008 -4.202 5.381) 12.954 13.191 ( -13.852 12.872 4.008) 19.330 13.573 ( 0.653 15.781 6.519) 17.087 13.685 ( 5.931 21.992 1.142) 22.806 14.079 ( 5.047 -3.554 -3.371) 7.033 14.572 ( 5.480 0.521 -1.843) 5.805 15.250 ( -0.283 -24.320 -1.118) 24.348 15.782 ( -2.951 -8.831 -2.542) 9.652 18.704 ( 7.509 -23.597 -2.115) 24.853 19.586 ( 2.289 1.614 2.334) 3.645 21.709 ( -7.287 1.046 10.091) 12.491 22.520 ( 5.874 -1.805 -21.493) 22.354 23.998 ( 4.891 -13.886 0.425) 14.728 25.328 ( -5.790 4.591 -4.817) 8.821 28.230 ( -1.603 -2.183 6.974) 7.481 28.538 ( -3.635 11.356 8.506) 14.646 ======================= Grid point 693 (343/429) ======================= q-point: (-0.14 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.940 ( -2.277 -6.631 16.422) 17.856 4.693 ( -4.163 -5.554 -7.188) 9.992 4.952 ( -9.064 -5.730 0.908) 10.762 5.348 ( -1.627 1.154 16.128) 16.251 5.699 ( 4.608 -4.789 -1.773) 6.878 5.971 ( 7.797 -4.792 -0.516) 9.167 6.079 ( -2.147 -2.598 -18.057) 18.369 6.847 ( 11.993 -2.040 1.788) 12.296 6.999 ( -1.011 1.195 0.321) 1.598 8.197 ( -4.090 -1.190 -2.391) 4.885 9.308 ( -10.338 -9.390 2.944) 14.273 9.779 ( 5.171 -17.361 6.546) 19.261 10.092 ( -4.508 -8.257 16.765) 19.224 10.485 ( -4.318 0.339 -0.826) 4.409 10.652 ( 0.464 -3.173 -1.326) 3.470 10.939 ( 5.336 -5.076 -2.695) 7.842 11.080 ( 2.962 -4.577 -10.526) 11.854 11.199 ( 5.751 -1.858 -11.174) 12.704 11.686 ( 0.875 -0.256 3.229) 3.355 12.001 ( 0.205 -10.387 1.950) 10.570 12.755 ( -10.913 -8.294 5.608) 14.810 12.885 ( -6.242 12.029 1.710) 13.660 13.229 ( 2.787 22.845 -1.654) 23.073 13.421 ( -2.393 6.905 9.217) 11.763 14.248 ( 5.894 -9.243 -3.720) 11.576 14.589 ( 3.605 0.900 0.277) 3.726 15.668 ( -0.834 -19.445 -0.119) 19.464 15.900 ( -0.759 -3.837 -1.085) 4.059 19.125 ( 7.283 -16.786 -2.130) 18.421 19.551 ( -0.182 2.855 0.977) 3.023 21.618 ( -6.136 5.348 8.670) 11.892 22.528 ( 5.578 0.088 -18.931) 19.735 24.237 ( 3.212 -8.404 1.478) 9.118 25.200 ( -4.126 4.445 -3.204) 6.859 28.286 ( -5.109 -3.267 1.779) 6.320 28.332 ( 0.113 9.247 12.424) 15.488 ======================= Grid point 694 (344/429) ======================= q-point: (-0.07 -0.57 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.139 ( 4.030 -10.020 16.172) 19.447 4.747 ( -4.809 -3.964 -7.309) 9.605 4.925 ( -3.613 2.888 -3.702) 5.925 5.312 ( -3.601 4.388 16.814) 17.746 5.723 ( -3.916 3.927 0.761) 5.598 6.075 ( 9.000 -0.907 -9.711) 13.271 6.102 ( -3.390 -4.845 -7.534) 9.578 6.928 ( 3.706 0.923 3.658) 5.289 6.997 ( 9.031 -0.793 -0.789) 9.100 8.167 ( -7.817 -0.215 -5.712) 9.684 9.312 ( -4.009 5.331 8.991) 11.195 9.964 ( -1.263 2.210 8.308) 8.689 10.216 ( -0.105 -3.926 10.781) 11.474 10.454 ( -6.296 -0.185 -0.346) 6.308 10.681 ( 2.283 0.689 -3.121) 3.928 10.806 ( 1.151 10.713 -3.296) 11.267 11.174 ( 4.936 -2.762 -4.207) 7.050 11.352 ( 2.566 -6.483 -13.508) 15.202 11.731 ( -1.365 -2.988 3.480) 4.786 12.175 ( 1.669 -8.428 -2.281) 8.889 12.710 ( 1.125 4.917 3.488) 6.133 12.792 ( 5.169 12.872 -0.857) 13.897 12.961 ( -10.080 -7.632 6.830) 14.371 13.325 ( -4.182 3.723 6.579) 8.639 14.398 ( 1.630 -2.261 -3.047) 4.130 14.586 ( 3.511 0.296 0.904) 3.637 15.869 ( 0.289 5.086 -1.420) 5.288 15.954 ( -1.738 -9.138 0.373) 9.309 19.398 ( 2.967 -6.831 -0.770) 7.487 19.484 ( -2.622 1.530 -0.950) 3.180 21.507 ( -2.560 4.335 7.974) 9.431 22.520 ( 6.202 0.741 -17.426) 18.512 24.343 ( -1.440 -1.345 3.031) 3.615 25.130 ( 1.443 0.714 -4.134) 4.436 28.138 ( -2.332 8.597 7.135) 11.413 28.418 ( -2.030 -8.371 6.613) 10.859 ======================= Grid point 702 (345/429) ======================= q-point: (-0.50 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( -12.345 -0.000 15.357) 19.704 3.459 ( 7.744 0.000 -5.298) 9.383 3.717 ( -27.912 -0.000 20.238) 34.476 4.684 ( -3.647 -0.000 25.070) 25.334 5.230 ( 11.316 0.000 -30.030) 32.091 5.805 ( -3.734 -0.000 -1.262) 3.941 6.029 ( 2.410 0.000 3.110) 3.935 6.926 ( -8.639 -0.000 -10.309) 13.450 6.950 ( -2.095 -0.000 -7.559) 7.844 7.201 ( 1.596 0.000 -5.859) 6.072 7.582 ( -0.486 -0.000 -3.667) 3.699 7.821 ( 1.572 0.000 -1.279) 2.026 8.998 ( 6.928 0.000 -9.770) 11.977 9.177 ( 7.423 0.000 10.123) 12.553 9.183 ( 1.319 0.000 5.003) 5.174 9.862 ( -6.183 -0.000 14.368) 15.642 10.216 ( -0.965 -0.000 -0.367) 1.033 10.453 ( 17.904 0.000 0.671) 17.917 10.959 ( -11.858 -0.000 0.312) 11.862 12.210 ( -5.266 -0.000 -2.318) 5.754 12.733 ( 4.072 0.000 7.507) 8.540 13.722 ( -0.849 -0.000 -7.500) 7.548 14.419 ( 4.477 0.000 1.548) 4.737 14.473 ( -2.041 -0.000 13.805) 13.955 14.744 ( 0.421 0.000 -1.197) 1.269 15.129 ( -9.612 -0.000 12.366) 15.663 15.655 ( 8.014 0.000 -5.031) 9.462 16.803 ( -0.222 -0.000 0.765) 0.796 17.214 ( -18.770 -0.000 -3.351) 19.066 18.309 ( 23.108 0.000 -19.948) 30.527 20.176 ( -0.479 -0.000 1.574) 1.645 21.150 ( 0.425 0.000 -1.194) 1.268 23.105 ( 1.781 0.000 -5.303) 5.594 25.524 ( 1.285 0.000 -14.477) 14.534 28.053 ( 1.855 0.000 15.614) 15.724 29.335 ( -8.750 -0.000 4.777) 9.969 ======================= Grid point 703 (346/429) ======================= q-point: (-0.43 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.106 ( -19.151 -23.714 16.020) 34.435 3.638 ( -20.766 -6.564 20.166) 29.681 3.710 ( 4.619 -19.969 -2.211) 20.615 4.752 ( -5.268 -5.038 22.676) 23.819 5.218 ( 11.390 1.713 -30.737) 32.825 5.539 ( -5.284 15.028 -0.872) 15.954 6.263 ( 3.495 -11.080 2.938) 11.984 6.749 ( -14.172 2.843 -10.421) 17.819 6.986 ( -7.877 -0.765 -7.637) 10.998 7.212 ( 2.347 -6.401 0.046) 6.818 7.647 ( -0.514 -5.064 -2.935) 5.875 7.981 ( 2.266 -15.043 0.537) 15.222 8.858 ( 0.248 11.982 3.387) 12.454 9.159 ( 15.257 -7.565 -11.509) 20.554 9.587 ( 4.581 -18.879 8.619) 21.253 9.835 ( -6.111 0.035 7.745) 9.866 10.306 ( 5.247 -8.560 4.714) 11.092 10.646 ( 12.531 -8.252 -0.713) 15.021 10.946 ( -8.859 -5.071 0.348) 10.214 12.174 ( -0.536 1.428 -1.382) 2.058 12.774 ( 2.710 -0.192 7.065) 7.569 13.736 ( -1.957 -3.221 -4.933) 6.208 14.275 ( -1.962 12.236 2.034) 12.559 14.459 ( 5.415 2.996 11.178) 12.777 14.716 ( 2.536 4.295 0.295) 4.997 15.046 ( -11.265 8.868 6.215) 15.626 15.881 ( 6.159 -14.913 0.407) 16.140 16.423 ( -1.358 26.999 -2.799) 27.177 16.836 ( -15.032 24.812 -10.822) 30.964 18.686 ( 17.673 -25.339 -8.464) 32.032 20.500 ( -5.102 -28.193 4.043) 28.935 21.313 ( 4.460 -17.075 -7.597) 19.214 23.124 ( 2.514 -1.880 -4.871) 5.795 25.498 ( -3.088 -0.578 -13.433) 13.796 28.094 ( 0.445 -0.654 13.951) 13.973 29.264 ( -4.450 4.556 6.699) 9.243 ======================= Grid point 704 (347/429) ======================= q-point: (-0.36 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.491 ( -23.701 -26.041 13.041) 37.549 3.664 ( -23.283 -7.432 24.880) 34.876 4.310 ( 6.524 -33.400 0.029) 34.031 4.877 ( -0.637 -4.243 11.502) 12.277 5.162 ( 6.270 3.776 -25.268) 26.306 5.327 ( 1.600 2.094 -5.921) 6.481 6.372 ( 10.970 3.764 -0.876) 11.631 6.627 ( -19.252 -2.198 -3.784) 19.743 6.974 ( 0.607 -2.133 -5.000) 5.470 7.444 ( -12.155 -18.804 4.060) 22.755 7.776 ( -0.540 -10.217 0.664) 10.253 8.297 ( -0.855 -14.180 7.179) 15.917 8.787 ( 4.478 -5.953 -5.319) 9.153 9.433 ( 12.842 -14.691 -12.627) 23.242 9.864 ( -1.954 -5.254 3.719) 6.727 9.971 ( 4.645 -17.085 7.515) 19.234 10.573 ( 12.502 -11.333 5.905) 17.877 10.835 ( -0.949 -8.515 -7.800) 11.586 11.064 ( -3.762 -10.327 7.218) 13.149 12.149 ( 6.824 2.989 -2.451) 7.843 12.770 ( -3.728 2.383 6.444) 7.817 13.759 ( -1.797 1.893 4.984) 5.626 14.121 ( -3.307 -0.790 -3.289) 4.730 14.440 ( 6.073 5.263 6.458) 10.309 14.601 ( 3.834 10.366 5.045) 12.149 14.702 ( -10.693 18.574 2.322) 21.558 15.638 ( 0.596 35.797 -1.067) 35.818 15.969 ( -10.641 20.626 -13.038) 26.621 16.833 ( 3.505 -31.917 -3.690) 32.321 19.215 ( 12.603 -19.086 0.104) 22.872 21.001 ( -9.679 -26.461 9.090) 29.606 21.773 ( 9.722 -26.653 -19.383) 34.360 23.202 ( 3.696 -5.928 -3.371) 7.756 25.460 ( -6.749 -0.932 -11.703) 13.542 28.135 ( -1.216 -1.295 11.015) 11.158 29.138 ( -1.396 8.434 9.186) 12.548 ======================= Grid point 705 (348/429) ======================= q-point: (-0.29 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( -24.789 -8.991 18.776) 32.371 3.898 ( -18.165 -24.428 16.558) 34.654 4.722 ( -7.666 0.656 -0.583) 7.716 4.936 ( 8.728 -11.347 1.098) 14.358 5.318 ( 17.538 -11.532 -7.240) 22.203 5.383 ( -2.957 -10.585 -14.321) 18.052 6.299 ( 11.624 9.128 -9.279) 17.451 6.620 ( -7.489 -5.610 4.851) 10.540 7.004 ( -0.581 -1.007 -2.629) 2.874 7.771 ( -23.730 -26.630 4.669) 35.973 8.005 ( 2.828 -10.922 3.556) 11.830 8.561 ( -0.011 -15.855 12.719) 20.326 9.096 ( 2.082 -22.490 -10.615) 24.956 9.797 ( 7.933 -18.425 -9.291) 22.107 10.021 ( 3.092 -11.250 -0.891) 11.702 10.323 ( 6.038 -15.389 6.454) 17.747 10.773 ( 8.146 -0.773 -5.955) 10.120 11.036 ( -1.339 -16.368 1.996) 16.544 11.270 ( -0.765 -10.667 7.611) 13.126 12.098 ( 12.188 9.144 -4.269) 15.823 12.665 ( -13.796 3.319 6.354) 15.548 13.629 ( -5.927 10.615 10.711) 16.203 14.171 ( -4.816 12.983 5.413) 14.868 14.237 ( -7.596 0.535 -5.704) 9.514 14.439 ( 8.225 7.631 -3.465) 11.742 14.497 ( 7.045 1.761 9.654) 12.081 14.978 ( 0.884 28.950 -9.113) 30.363 15.629 ( -9.036 6.377 -6.708) 12.935 17.549 ( 7.666 -36.899 -2.418) 37.765 19.524 ( 8.643 -7.316 2.897) 11.689 21.395 ( -9.622 -18.746 10.652) 23.611 22.224 ( 8.754 -17.516 -25.180) 31.898 23.406 ( 6.200 -13.450 -1.302) 14.868 25.407 ( -9.008 -0.359 -9.118) 12.822 28.167 ( -3.055 -1.592 7.338) 8.107 28.968 ( -0.099 11.017 11.687) 16.061 ======================= Grid point 706 (349/429) ======================= q-point: (-0.21 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.752 ( -16.079 -6.177 21.378) 27.454 4.286 ( -16.922 -24.022 11.437) 31.531 4.615 ( -1.012 2.470 -7.666) 8.117 5.193 ( 2.585 -9.485 11.283) 14.965 5.469 ( 5.210 -6.298 -13.846) 16.079 5.701 ( 7.113 -14.001 -3.425) 16.073 6.150 ( 4.448 8.577 -15.226) 18.033 6.746 ( 10.607 -4.519 4.917) 12.534 7.002 ( -2.590 -0.517 -0.087) 2.642 8.077 ( -12.596 -11.221 -4.786) 17.535 8.316 ( -12.835 -28.947 12.188) 33.930 8.981 ( 5.373 -23.045 10.515) 25.894 9.513 ( -2.516 -22.053 -5.316) 22.824 10.131 ( 1.365 -14.883 2.118) 15.095 10.342 ( 6.672 -19.695 -11.873) 23.945 10.633 ( 6.654 -10.348 6.902) 14.106 10.751 ( 2.104 1.474 -10.910) 11.209 11.322 ( 4.214 -9.184 -1.976) 10.296 11.505 ( 3.172 -12.959 10.479) 16.965 11.901 ( 5.453 15.038 -2.625) 16.211 12.568 ( -15.391 -1.659 4.916) 16.241 13.344 ( -14.609 13.383 10.183) 22.277 13.902 ( -3.030 13.790 -0.897) 14.148 14.066 ( 8.853 11.194 -1.368) 14.337 14.211 ( 0.394 20.282 3.162) 20.531 14.654 ( 8.481 3.440 -4.564) 10.227 14.797 ( 0.506 -20.410 -2.481) 20.566 15.589 ( -6.112 -6.861 -1.914) 9.386 18.241 ( 10.016 -30.689 -2.404) 32.371 19.634 ( 5.813 -0.030 2.737) 6.425 21.615 ( -9.635 -8.244 11.047) 16.817 22.437 ( 6.204 -6.757 -25.117) 26.740 23.745 ( 8.163 -16.506 -0.709) 18.428 25.330 ( -9.794 1.289 -5.954) 11.534 28.186 ( -4.656 -1.758 3.966) 6.364 28.771 ( 0.146 12.286 13.457) 18.222 ======================= Grid point 707 (350/429) ======================= q-point: (-0.14 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.841 ( -5.558 -6.270 21.218) 22.812 4.555 ( -7.288 -6.666 0.501) 9.890 4.673 ( -7.542 -14.643 0.673) 16.485 5.361 ( 1.384 -3.877 15.008) 15.562 5.599 ( 1.843 -7.247 -9.306) 11.938 5.930 ( 8.101 -6.329 -0.866) 10.317 6.007 ( -0.808 2.708 -20.195) 20.392 6.898 ( 16.303 -1.956 4.076) 16.918 6.999 ( -2.173 -0.464 0.469) 2.271 8.124 ( -8.444 -2.986 -5.012) 10.264 8.845 ( -14.659 -29.996 8.673) 34.494 9.468 ( 8.849 -21.293 5.800) 23.777 9.860 ( -4.665 -16.628 7.538) 18.844 10.383 ( -3.450 -10.261 2.103) 11.028 10.625 ( -0.111 1.657 -6.192) 6.411 10.736 ( 4.837 -17.374 -10.254) 20.746 10.912 ( 9.521 -8.292 -3.739) 13.168 11.343 ( 4.166 8.033 -7.077) 11.488 11.722 ( 1.080 2.698 2.677) 3.951 11.804 ( 3.703 -11.910 9.329) 15.575 12.560 ( -13.169 -5.251 4.117) 14.763 13.051 ( -12.488 10.326 4.069) 16.707 13.575 ( -2.157 16.332 1.507) 16.543 13.743 ( 1.298 23.049 3.262) 23.315 14.129 ( 6.862 -5.283 -5.313) 10.160 14.639 ( 5.610 2.224 0.022) 6.035 15.245 ( 0.206 -24.211 -1.021) 24.233 15.749 ( -1.615 -10.551 0.244) 10.677 18.803 ( 10.673 -22.790 -2.476) 25.287 19.627 ( 3.265 3.589 1.819) 5.182 21.647 ( -9.588 0.272 9.832) 13.736 22.504 ( 5.324 -2.302 -22.087) 22.836 24.072 ( 7.766 -12.580 -0.183) 14.785 25.226 ( -9.063 2.681 -3.207) 9.981 28.200 ( -5.736 -2.583 1.521) 6.472 28.565 ( 0.410 12.181 14.228) 18.735 ======================= Grid point 708 (351/429) ======================= q-point: (-0.07 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.017 ( 3.490 -8.931 19.387) 21.629 4.609 ( -6.383 -4.800 -4.578) 9.206 4.865 ( -6.552 -7.323 2.157) 10.061 5.399 ( -0.290 2.687 15.693) 15.924 5.701 ( -2.234 -3.895 -4.512) 6.366 5.973 ( -1.644 -4.019 -13.474) 14.156 6.068 ( 7.668 -3.355 -6.002) 10.300 6.973 ( 0.533 1.177 2.813) 3.096 7.039 ( 13.449 -1.378 0.619) 13.534 8.095 ( -9.681 -0.975 -6.358) 11.624 9.229 ( -6.183 -14.295 9.061) 18.019 9.873 ( 6.186 -14.081 4.068) 15.909 10.097 ( -4.398 -9.309 12.670) 16.326 10.422 ( -5.370 0.886 1.073) 5.547 10.646 ( 1.006 -3.587 -6.411) 7.415 10.949 ( -0.010 1.797 -4.254) 4.617 11.069 ( 0.182 -8.749 -8.510) 12.206 11.265 ( 10.930 -1.668 -7.459) 13.338 11.721 ( 3.209 0.631 2.922) 4.386 12.026 ( 1.516 -8.592 4.577) 9.853 12.632 ( -12.497 -9.639 4.473) 16.404 12.831 ( -4.429 7.628 2.201) 9.092 13.260 ( 3.571 20.242 -1.117) 20.584 13.408 ( -5.051 9.060 6.270) 12.121 14.302 ( 5.586 -8.122 -3.677) 10.521 14.623 ( 1.085 1.781 1.227) 2.420 15.659 ( -0.259 -18.914 -0.828) 18.934 15.899 ( 0.802 -4.142 0.799) 4.294 19.213 ( 8.995 -14.917 -2.500) 17.597 19.554 ( 0.032 5.301 0.954) 5.386 21.569 ( -7.646 3.342 8.350) 11.805 22.522 ( 5.470 -0.642 -19.031) 19.812 24.289 ( 4.866 -5.898 1.180) 7.737 25.132 ( -5.677 1.314 -2.336) 6.278 28.217 ( -6.417 -1.526 0.705) 6.634 28.396 ( 1.286 7.337 13.666) 15.564 ======================= Grid point 717 (352/429) ======================= q-point: (-0.43 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -19.238 -0.000 15.918) 24.970 3.497 ( -25.706 -0.000 29.393) 39.048 3.530 ( 7.062 0.000 -5.044) 8.678 4.705 ( -8.354 -0.000 24.560) 25.942 5.244 ( 9.965 0.000 -28.406) 30.103 5.697 ( -17.932 -0.000 9.111) 20.114 6.082 ( 5.164 0.000 1.501) 5.377 6.646 ( -21.520 -0.000 -21.744) 30.593 6.890 ( -4.070 -0.000 -4.911) 6.378 7.267 ( 5.764 0.000 1.290) 5.906 7.569 ( 0.335 0.000 -3.161) 3.179 7.838 ( 2.311 0.000 -1.811) 2.936 8.998 ( -0.659 -0.000 -4.371) 4.420 9.213 ( 1.050 0.000 3.340) 3.501 9.396 ( 24.556 0.000 -0.874) 24.572 9.823 ( -8.518 -0.000 9.677) 12.892 10.203 ( -1.040 -0.000 0.214) 1.062 10.679 ( 18.563 0.000 -2.191) 18.692 10.867 ( -3.007 -0.000 4.396) 5.326 12.179 ( -0.647 -0.000 0.560) 0.856 12.814 ( 5.795 0.000 6.559) 8.752 13.681 ( -1.256 -0.000 -7.103) 7.213 14.419 ( -2.488 -0.000 -1.081) 2.713 14.543 ( 3.312 0.000 12.476) 12.908 14.746 ( 0.678 0.000 -1.220) 1.396 15.052 ( -11.572 -0.000 13.628) 17.878 15.732 ( 8.504 0.000 -6.212) 10.531 16.804 ( -0.178 -0.000 0.756) 0.777 16.966 ( -22.300 -0.000 0.072) 22.300 18.463 ( 17.436 0.000 -23.477) 29.244 20.176 ( -0.545 -0.000 1.556) 1.649 21.151 ( 0.411 0.000 -1.214) 1.282 23.114 ( 3.112 0.000 -5.180) 6.043 25.434 ( -8.059 -0.000 -12.807) 15.131 28.108 ( -1.826 -0.000 11.954) 12.093 29.315 ( 1.549 0.000 9.146) 9.276 ======================= Grid point 718 (353/429) ======================= q-point: (-0.36 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -23.281 -21.333 15.715) 35.271 3.458 ( -23.880 -5.130 32.351) 40.536 3.773 ( 5.127 -22.455 -4.749) 23.517 4.764 ( -6.512 -6.586 21.473) 23.385 5.234 ( 10.488 1.964 -28.480) 30.414 5.435 ( -14.861 11.055 7.343) 19.924 6.289 ( -7.543 -12.239 11.540) 18.435 6.492 ( -10.792 -0.764 -25.703) 27.887 6.895 ( -5.748 -3.440 -2.710) 7.226 7.246 ( 3.537 0.222 0.795) 3.632 7.637 ( 0.072 -4.934 -1.052) 5.045 7.996 ( 0.204 -14.481 0.011) 14.483 8.861 ( -0.388 8.855 -0.214) 8.866 9.285 ( 11.273 -7.021 -9.620) 16.399 9.717 ( 11.821 -13.598 1.206) 18.058 9.790 ( -3.564 -2.382 6.815) 8.051 10.348 ( 0.574 -13.866 2.001) 14.022 10.756 ( 5.803 -1.597 -16.767) 17.814 10.958 ( 9.910 -4.692 19.331) 22.224 12.184 ( 0.662 -0.739 0.700) 1.214 12.840 ( 5.855 2.863 5.027) 8.231 13.701 ( -1.046 -4.095 -3.738) 5.642 14.242 ( -4.483 12.110 0.188) 12.915 14.557 ( 4.603 2.398 8.814) 10.229 14.746 ( 3.597 2.648 -3.640) 5.762 14.931 ( -13.821 10.175 12.321) 21.127 15.941 ( 4.174 -11.290 -2.547) 12.303 16.394 ( -2.738 30.438 -0.575) 30.566 16.619 ( -15.698 16.796 -6.315) 23.842 18.846 ( 17.023 -26.768 -14.117) 34.721 20.453 ( -5.621 -24.991 4.848) 26.071 21.333 ( 4.065 -18.809 -8.591) 21.074 23.144 ( 3.975 -2.218 -4.626) 6.490 25.361 ( -12.257 -1.129 -11.426) 16.794 28.118 ( -3.903 -0.750 9.019) 9.856 29.306 ( 5.934 5.568 11.860) 14.383 ======================= Grid point 719 (354/429) ======================= q-point: (-0.29 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( -29.063 -22.442 11.653) 38.524 3.547 ( -17.360 -10.946 35.536) 41.037 4.328 ( -2.264 -31.140 -0.805) 31.233 4.920 ( 0.896 -3.984 9.812) 10.628 5.146 ( 3.833 0.289 -16.388) 16.833 5.322 ( 1.448 -2.043 -5.944) 6.450 6.351 ( -23.627 -6.469 -7.407) 25.592 6.507 ( 11.249 -0.970 2.070) 11.479 6.940 ( -4.596 -4.507 -0.963) 6.509 7.342 ( -5.495 -8.868 -0.478) 10.444 7.793 ( 2.165 -12.003 3.609) 12.719 8.285 ( -4.545 -15.389 5.205) 16.869 8.809 ( 3.243 -5.453 -7.190) 9.589 9.524 ( 9.779 -13.319 -11.691) 20.241 9.843 ( -2.655 -8.265 -0.095) 8.682 10.089 ( 10.007 -14.628 4.848) 18.374 10.686 ( 3.838 -19.029 1.847) 19.500 10.771 ( 0.208 -1.665 -16.366) 16.452 11.166 ( 11.442 -5.818 20.097) 23.847 12.219 ( 3.450 -1.320 -0.664) 3.754 12.757 ( 0.488 9.575 3.405) 10.174 13.777 ( 0.762 0.663 7.165) 7.236 14.046 ( -7.031 0.014 -4.135) 8.157 14.456 ( -9.093 15.252 3.197) 18.043 14.624 ( 0.595 9.843 -3.869) 10.592 14.690 ( 5.817 6.435 12.156) 14.933 15.571 ( -9.570 34.022 -7.353) 36.099 15.838 ( -6.482 22.786 -2.541) 23.825 16.880 ( 7.050 -36.060 -3.378) 36.898 19.368 ( 14.449 -17.453 -3.862) 22.985 20.921 ( -9.397 -26.223 8.744) 29.196 21.802 ( 8.038 -26.361 -21.409) 34.898 23.247 ( 6.169 -7.090 -2.943) 9.849 25.294 ( -14.562 -2.226 -9.352) 17.449 28.124 ( -5.673 -1.374 5.535) 8.044 29.217 ( 6.932 10.434 14.592) 19.231 ======================= Grid point 720 (355/429) ======================= q-point: (-0.21 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.459 ( -25.513 -17.630 16.092) 34.938 3.801 ( -13.202 -18.582 27.275) 35.545 4.652 ( -4.075 -1.586 -0.196) 4.377 4.998 ( 1.507 -11.438 1.119) 11.591 5.305 ( -1.728 -8.935 -10.252) 13.708 5.489 ( 14.497 -13.609 -5.342) 20.589 6.263 ( -7.275 3.631 -18.588) 20.288 6.686 ( 10.893 -9.397 12.736) 19.214 6.978 ( -2.725 -1.530 0.955) 3.268 7.507 ( -21.758 -18.995 0.173) 28.883 8.069 ( 4.934 -11.109 5.363) 13.286 8.591 ( -2.050 -20.521 9.848) 22.854 9.068 ( 0.482 -20.079 -10.880) 22.842 9.841 ( 5.025 -16.781 -7.759) 19.159 10.043 ( 2.640 -13.415 -5.939) 14.906 10.425 ( 6.684 -15.136 3.718) 16.959 10.755 ( -2.069 -0.009 -12.768) 12.934 11.075 ( 5.969 -17.786 -0.620) 18.771 11.382 ( 10.439 -6.928 19.367) 23.066 12.229 ( 10.945 7.153 -4.008) 13.675 12.512 ( -13.917 10.028 5.066) 17.886 13.582 ( -10.128 16.234 13.195) 23.243 14.060 ( -11.171 10.663 -6.294) 16.676 14.203 ( 0.421 -7.300 4.283) 8.474 14.488 ( 6.453 3.117 -10.026) 12.323 14.648 ( 8.214 11.165 14.086) 19.763 14.927 ( -2.114 22.592 -12.605) 25.956 15.512 ( -8.848 5.777 0.582) 10.583 17.652 ( 11.387 -37.656 -2.609) 39.427 19.641 ( 9.753 -5.128 0.879) 11.054 21.320 ( -9.817 -18.972 10.299) 23.715 22.214 ( 6.539 -16.234 -27.777) 32.831 23.496 ( 10.160 -14.486 -1.402) 17.749 25.237 ( -14.870 -2.212 -6.628) 16.430 28.124 ( -6.966 -1.743 2.363) 7.560 29.056 ( 5.397 13.280 16.637) 21.961 ======================= Grid point 721 (356/429) ======================= q-point: (-0.14 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.666 ( -12.895 -12.692 22.901) 29.186 4.166 ( -12.434 -22.572 16.209) 30.444 4.592 ( 0.782 2.798 -3.386) 4.462 5.250 ( 0.292 -11.513 7.921) 13.978 5.424 ( -1.833 -8.060 -10.539) 13.394 5.812 ( 11.078 -11.003 -2.971) 15.894 6.084 ( -3.033 7.524 -17.966) 19.712 6.932 ( 7.537 -5.526 0.843) 9.384 6.995 ( 9.242 0.028 5.989) 11.013 7.807 ( -25.452 -23.712 -4.204) 35.039 8.313 ( 0.109 -15.992 11.353) 19.612 9.078 ( 4.975 -26.074 9.005) 28.030 9.450 ( -4.054 -22.152 -6.798) 23.523 10.146 ( 0.130 -13.966 2.038) 14.114 10.354 ( 4.522 -18.697 -16.225) 25.165 10.668 ( -3.256 -0.427 -3.412) 4.736 10.777 ( 7.967 -10.994 -2.883) 13.880 11.368 ( 6.375 -8.535 -4.141) 11.429 11.649 ( 10.126 -10.751 17.922) 23.223 11.949 ( 4.092 21.184 -1.651) 21.639 12.402 ( -14.950 -4.071 3.827) 15.961 13.211 ( -14.288 15.066 9.314) 22.757 13.835 ( -6.131 10.318 -3.028) 12.378 14.165 ( 6.605 7.603 -7.149) 12.350 14.205 ( -0.488 24.842 4.529) 25.256 14.740 ( 7.697 -1.980 -4.177) 8.978 14.801 ( 1.539 -15.408 0.251) 15.487 15.528 ( -4.224 -9.830 2.740) 11.044 18.368 ( 13.116 -30.440 -2.465) 33.237 19.714 ( 6.270 1.820 1.688) 6.743 21.535 ( -11.010 -8.155 10.719) 17.396 22.404 ( 4.840 -7.140 -26.764) 28.119 23.858 ( 12.059 -15.683 -1.452) 19.837 25.172 ( -13.847 -0.797 -3.641) 14.340 28.120 ( -7.481 -2.128 0.363) 7.786 28.852 ( 3.244 14.120 17.223) 22.507 ======================= Grid point 722 (357/429) ======================= q-point: (-0.07 -0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.887 ( -1.350 -10.925 23.424) 25.882 4.482 ( -7.138 -9.214 7.478) 13.848 4.614 ( -3.097 -10.099 -0.077) 10.563 5.434 ( 1.619 -4.060 14.345) 14.996 5.543 ( -4.396 -8.206 -10.400) 13.958 5.921 ( -0.437 2.624 -18.976) 19.162 6.022 ( 8.190 -5.508 -2.046) 10.080 6.973 ( -2.021 -1.024 0.297) 2.285 7.111 ( 15.344 -0.296 1.983) 15.475 7.960 ( -13.551 -7.087 -6.210) 16.505 8.777 ( -4.456 -28.290 12.161) 31.114 9.586 ( 7.799 -20.966 5.326) 22.995 9.809 ( -7.441 -19.364 2.361) 20.878 10.359 ( -2.936 -7.355 4.917) 9.322 10.578 ( -0.539 -1.764 -13.200) 13.328 10.738 ( 2.393 -16.022 -9.165) 18.613 11.007 ( 6.488 -4.924 -2.183) 8.432 11.373 ( 5.196 8.669 -5.418) 11.468 11.749 ( 2.630 -0.557 0.921) 2.842 11.916 ( 7.011 -6.921 14.580) 17.596 12.422 ( -12.357 -5.720 3.156) 13.978 12.930 ( -10.592 7.881 3.874) 13.759 13.544 ( -3.537 14.719 0.023) 15.138 13.736 ( -2.993 21.616 0.346) 21.825 14.200 ( 7.901 -4.281 -4.454) 10.030 14.685 ( 1.593 4.301 0.624) 4.629 15.250 ( 1.340 -23.831 -0.956) 23.887 15.751 ( 1.123 -11.756 2.981) 12.180 18.930 ( 12.471 -21.502 -2.488) 24.981 19.673 ( 3.497 5.525 1.281) 6.663 21.560 ( -11.224 -0.491 9.215) 14.530 22.479 ( 4.788 -3.308 -22.583) 23.321 24.179 ( 10.793 -10.653 -0.946) 15.195 25.095 ( -11.628 0.167 -1.448) 11.719 28.124 ( -7.176 -2.985 -0.179) 7.774 28.638 ( 1.755 13.116 16.165) 20.891 ======================= Grid point 732 (358/429) ======================= q-point: (-0.36 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -22.583 -0.000 16.605) 28.031 3.327 ( -24.876 -0.000 35.351) 43.226 3.578 ( 4.106 0.000 -4.601) 6.167 4.679 ( -12.426 -0.000 25.752) 28.593 5.250 ( 6.631 0.000 -20.388) 21.439 5.463 ( -27.785 -0.000 16.195) 32.160 6.158 ( 7.252 0.000 -0.409) 7.263 6.317 ( -18.608 -0.000 -26.926) 32.730 6.821 ( -5.119 -0.000 -2.375) 5.644 7.332 ( 4.687 0.000 3.252) 5.705 7.566 ( 1.041 0.000 -2.371) 2.590 7.859 ( 2.577 0.000 -2.127) 3.341 8.969 ( -1.497 -0.000 -3.050) 3.397 9.231 ( 0.462 0.000 1.436) 1.508 9.679 ( 16.477 0.000 -8.587) 18.581 9.760 ( 2.025 0.000 5.249) 5.626 10.194 ( -0.938 -0.000 0.945) 1.331 10.732 ( 3.441 0.000 -19.440) 19.742 11.054 ( 19.913 0.000 23.659) 30.924 12.163 ( -4.372 -0.000 2.082) 4.843 12.937 ( 12.707 0.000 3.705) 13.236 13.642 ( -1.108 -0.000 -5.778) 5.883 14.368 ( -4.839 -0.000 -2.910) 5.647 14.622 ( 3.087 0.000 7.917) 8.498 14.751 ( 0.882 0.000 -1.253) 1.532 14.969 ( -12.038 -0.000 16.963) 20.800 15.804 ( 8.334 0.000 -7.722) 11.361 16.696 ( -25.218 -0.000 4.707) 25.653 16.805 ( -0.149 -0.000 0.752) 0.766 18.543 ( 12.481 0.000 -26.767) 29.534 20.175 ( -0.599 -0.000 1.530) 1.644 21.151 ( 0.393 0.000 -1.234) 1.296 23.139 ( 4.423 0.000 -4.769) 6.504 25.241 ( -17.328 -0.000 -9.944) 19.979 28.097 ( -5.898 -0.000 6.733) 8.951 29.443 ( 12.478 0.000 13.718) 18.544 ======================= Grid point 733 (359/429) ======================= q-point: (-0.29 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -25.757 -18.269 15.814) 35.317 3.318 ( -23.199 -8.013 37.023) 44.419 3.788 ( 0.215 -20.634 -3.063) 20.862 4.761 ( -8.896 -10.740 22.363) 26.355 5.245 ( 2.485 7.101 -19.804) 21.185 5.264 ( -14.375 -0.395 12.064) 18.770 6.077 ( -22.818 -1.373 -8.318) 24.325 6.440 ( 7.289 -12.512 -11.218) 18.317 6.821 ( -5.870 -3.375 -0.556) 6.793 7.310 ( 6.965 2.576 1.308) 7.541 7.641 ( 0.688 -5.767 1.540) 6.009 7.993 ( -0.197 -12.113 -0.889) 12.148 8.851 ( -0.309 7.035 -2.726) 7.551 9.345 ( 4.769 -9.212 -6.636) 12.315 9.693 ( -7.559 -3.777 0.858) 8.494 9.945 ( 17.548 -8.279 -4.697) 19.964 10.357 ( 0.821 -15.434 0.138) 15.456 10.729 ( 4.682 -1.038 -17.561) 18.204 11.240 ( 20.373 -1.585 24.180) 31.658 12.156 ( -6.983 -2.583 2.064) 7.726 12.971 ( 14.747 6.310 1.160) 16.082 13.683 ( -0.098 -6.016 -2.369) 6.467 14.175 ( -6.109 12.501 -1.434) 13.987 14.614 ( -0.883 4.471 4.516) 6.416 14.757 ( 0.721 3.184 -7.494) 8.175 14.850 ( -7.689 7.654 19.640) 22.438 15.946 ( -1.544 2.721 -3.434) 4.646 16.319 ( -12.779 24.000 1.948) 27.259 16.473 ( -3.129 7.853 -3.507) 9.152 18.975 ( 15.260 -31.106 -18.519) 39.286 20.409 ( -4.798 -22.000 4.575) 22.978 21.341 ( 2.983 -19.510 -9.427) 21.873 23.185 ( 5.924 -2.917 -3.897) 7.667 25.132 ( -20.298 -2.076 -7.770) 21.834 28.075 ( -7.252 -0.685 4.178) 8.398 29.483 ( 14.753 7.396 15.361) 22.546 ======================= Grid point 734 (360/429) ======================= q-point: (-0.21 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -28.698 -21.434 13.603) 38.315 3.503 ( -15.068 -14.089 39.786) 44.815 4.272 ( -6.220 -29.227 -0.551) 29.887 4.963 ( 0.119 -0.826 9.410) 9.447 5.116 ( -1.918 -6.747 -6.301) 9.429 5.319 ( 2.156 -7.397 -6.495) 10.077 6.038 ( -23.737 -10.277 -7.743) 27.000 6.642 ( 10.439 -5.418 0.302) 11.766 6.870 ( -6.716 -5.418 1.214) 8.713 7.316 ( 1.730 1.147 -2.154) 2.991 7.856 ( 5.287 -14.547 6.692) 16.863 8.244 ( -4.448 -15.347 2.629) 16.193 8.809 ( 1.860 -5.014 -8.537) 10.074 9.571 ( 5.018 -13.053 -8.803) 16.524 9.803 ( -2.856 -11.172 -3.706) 12.112 10.198 ( 6.500 -12.083 -3.154) 14.078 10.641 ( -6.251 -9.950 -5.847) 13.125 10.823 ( 14.854 -10.563 -9.208) 20.421 11.426 ( 16.683 -1.818 24.004) 29.288 12.185 ( -8.887 -4.779 1.969) 10.281 12.845 ( 13.534 16.585 -1.056) 21.433 13.824 ( 1.185 3.020 9.898) 10.416 13.934 ( -8.117 -1.668 -6.070) 10.272 14.301 ( -17.468 18.372 4.994) 25.838 14.645 ( 4.416 7.155 -5.733) 10.176 14.819 ( 8.568 1.065 8.641) 12.215 15.396 ( -13.863 31.744 -6.718) 35.284 15.762 ( -7.879 24.080 2.485) 25.458 16.973 ( 10.807 -38.948 -2.922) 40.525 19.513 ( 12.961 -16.803 -6.559) 22.212 20.854 ( -6.764 -25.551 6.965) 27.334 21.794 ( 4.981 -25.524 -24.197) 35.521 23.330 ( 10.067 -8.956 -2.127) 13.641 25.057 ( -20.650 -4.085 -5.454) 21.745 28.054 ( -8.168 -1.252 1.688) 8.435 29.394 ( 12.169 13.373 17.273) 25.005 ======================= Grid point 735 (361/429) ======================= q-point: (-0.14 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( -20.873 -24.500 16.367) 36.108 3.780 ( -10.190 -15.804 32.740) 37.756 4.621 ( -2.064 -6.009 1.421) 6.511 4.992 ( -2.089 -10.238 -0.446) 10.458 5.260 ( -0.780 -7.259 -7.738) 10.639 5.611 ( 8.684 -16.798 -1.154) 18.945 6.071 ( -12.587 -4.121 -15.609) 20.471 6.841 ( 5.710 -6.976 0.503) 9.029 6.987 ( 1.993 -12.643 12.198) 17.681 7.293 ( -11.024 -3.973 -3.433) 12.210 8.144 ( 3.050 -9.437 6.900) 12.082 8.606 ( 0.610 -25.187 6.067) 25.915 9.030 ( -0.212 -17.995 -10.091) 20.632 9.859 ( 2.448 -16.113 -5.486) 17.196 10.037 ( 1.653 -14.768 -10.940) 18.453 10.473 ( 0.925 -15.068 -3.671) 15.536 10.678 ( -4.136 -2.257 -6.950) 8.396 11.174 ( 12.683 -15.043 -3.761) 20.032 11.606 ( 12.051 -4.340 22.509) 25.898 12.228 ( -10.154 -5.124 2.389) 11.622 12.487 ( 9.105 27.552 -1.158) 29.041 13.491 ( -13.871 20.328 13.901) 28.264 13.904 ( -10.097 5.363 -8.382) 14.176 14.244 ( 3.185 -11.205 4.088) 12.345 14.523 ( 6.066 3.230 -10.428) 12.489 14.714 ( -6.557 28.846 3.239) 29.758 14.903 ( 7.606 2.855 -4.435) 9.256 15.425 ( -8.227 5.044 6.215) 11.478 17.793 ( 14.230 -38.329 -2.305) 40.951 19.748 ( 7.698 -3.760 -0.290) 8.572 21.248 ( -8.512 -17.889 9.189) 21.838 22.164 ( 3.634 -15.864 -30.876) 34.903 23.638 ( 15.188 -15.204 -1.822) 21.567 25.017 ( -19.052 -4.559 -3.139) 19.840 28.035 ( -8.539 -1.814 -0.085) 8.730 29.203 ( 7.644 16.091 18.574) 25.736 ======================= Grid point 736 (362/429) ======================= q-point: (-0.07 -0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.624 ( -8.724 -20.031 22.310) 31.227 4.116 ( -8.099 -20.072 20.832) 30.041 4.608 ( 2.870 3.596 0.747) 4.661 5.238 ( -3.847 -14.645 -3.855) 15.625 5.387 ( -0.745 -7.364 -0.295) 7.408 5.909 ( 6.870 -7.545 -7.240) 12.511 5.985 ( -1.893 2.027 -10.825) 11.175 6.916 ( -2.350 -3.176 -1.452) 4.209 7.209 ( 10.716 1.926 0.317) 10.892 7.537 ( -13.277 -27.985 2.498) 31.076 8.358 ( -0.279 -14.683 10.838) 18.252 9.165 ( 4.190 -28.983 6.476) 29.992 9.375 ( -3.637 -20.074 -6.390) 21.378 10.153 ( -0.441 -13.711 2.115) 13.880 10.330 ( 3.156 -17.364 -19.725) 26.467 10.605 ( -3.829 -1.275 -4.286) 5.887 10.833 ( 2.399 -14.967 -3.038) 15.459 11.455 ( 10.631 -6.589 -2.757) 12.808 11.810 ( 3.137 -4.620 13.976) 15.051 12.004 ( 6.518 21.242 5.511) 22.893 12.271 ( -8.412 -4.691 2.960) 10.077 13.086 ( -12.148 15.261 7.647) 20.951 13.751 ( -5.754 7.481 -3.476) 10.058 14.102 ( -6.884 21.906 -8.934) 24.639 14.288 ( 7.246 9.402 1.658) 11.985 14.795 ( 5.778 -14.433 -5.099) 16.362 14.826 ( -0.006 -0.704 3.240) 3.316 15.519 ( 0.047 -12.704 6.315) 14.187 18.524 ( 14.821 -29.835 -2.057) 33.377 19.786 ( 4.714 2.913 1.001) 5.631 21.441 ( -11.522 -7.198 9.780) 16.740 22.350 ( 3.687 -8.534 -28.188) 29.681 24.016 ( 16.181 -14.244 -2.602) 21.714 24.984 ( -16.628 -3.195 -0.932) 16.958 28.026 ( -8.139 -2.578 -0.656) 8.563 28.963 ( 3.830 16.183 18.237) 24.681 ======================= Grid point 747 (363/429) ======================= q-point: (-0.29 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( -23.483 -0.000 17.516) 29.296 3.150 ( -29.839 -0.000 34.919) 45.932 3.591 ( 1.159 0.000 -4.163) 4.322 4.593 ( -21.670 -0.000 33.966) 40.290 5.199 ( -16.389 -0.000 21.772) 27.251 5.294 ( 3.179 0.000 -17.973) 18.252 6.000 ( -18.758 -0.000 -26.301) 32.305 6.243 ( 7.892 0.000 -2.398) 8.248 6.757 ( -4.844 -0.000 -0.279) 4.852 7.421 ( 8.329 0.000 4.914) 9.671 7.575 ( 1.591 0.000 -1.366) 2.097 7.881 ( 2.383 0.000 -2.209) 3.249 8.944 ( -0.685 -0.000 -3.550) 3.616 9.234 ( -0.360 -0.000 -0.366) 0.513 9.613 ( -10.319 -0.000 1.701) 10.458 9.973 ( 21.073 0.000 -18.559) 28.080 10.189 ( -0.672 -0.000 1.653) 1.784 10.725 ( 8.264 0.000 -14.875) 17.016 11.405 ( 22.777 0.000 25.345) 34.075 12.082 ( -9.731 -0.000 2.200) 9.977 13.137 ( 19.387 0.000 -0.561) 19.395 13.614 ( -0.365 -0.000 -3.423) 3.442 14.288 ( -6.248 -0.000 -4.681) 7.807 14.659 ( -1.431 -0.000 4.123) 4.365 14.757 ( 0.992 0.000 -1.289) 1.626 14.912 ( -8.729 -0.000 18.851) 20.774 15.871 ( 8.599 0.000 -8.810) 12.310 16.417 ( -26.909 -0.000 9.560) 28.557 16.806 ( -0.140 -0.000 0.753) 0.766 18.553 ( 7.051 0.000 -29.321) 30.157 20.173 ( -0.632 -0.000 1.503) 1.630 21.151 ( 0.376 0.000 -1.252) 1.307 23.186 ( 6.681 0.000 -3.717) 7.645 24.966 ( -24.097 -0.000 -4.920) 24.594 28.031 ( -8.021 -0.000 2.829) 8.505 29.693 ( 20.134 0.000 14.556) 24.844 ======================= Grid point 748 (364/429) ======================= q-point: (-0.21 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -25.892 -14.822 16.972) 34.324 3.164 ( -27.425 -15.347 34.254) 46.487 3.766 ( -2.687 -17.820 0.563) 18.030 4.705 ( -16.494 -17.034 28.024) 36.709 5.127 ( -11.260 3.994 18.104) 21.691 5.264 ( 6.554 1.074 -18.248) 19.420 5.781 ( -18.939 0.518 -15.061) 24.203 6.493 ( 6.426 -14.745 -6.587) 17.381 6.759 ( -4.348 -2.891 0.490) 5.244 7.416 ( 9.707 4.555 1.260) 10.797 7.674 ( 3.207 -8.079 5.336) 10.200 7.989 ( 0.461 -9.730 -1.716) 9.891 8.833 ( -0.448 6.417 -4.549) 7.879 9.360 ( 2.223 -10.473 -5.589) 12.078 9.600 ( -8.082 -5.627 -0.446) 9.858 10.061 ( 7.820 -4.727 -14.995) 17.560 10.357 ( -0.673 -13.926 -3.614) 14.403 10.784 ( 14.212 -2.695 -10.894) 18.108 11.572 ( 17.885 0.585 25.372) 31.048 12.060 ( -7.701 -2.655 2.451) 8.506 13.176 ( 19.186 7.914 -3.165) 20.994 13.682 ( 1.506 -7.339 -1.039) 7.564 14.099 ( -5.395 11.945 -2.169) 13.285 14.538 ( -14.431 13.181 7.138) 20.807 14.748 ( 1.392 2.564 -1.977) 3.525 14.879 ( 0.568 1.155 9.187) 9.277 15.890 ( -6.792 21.464 2.966) 22.707 16.147 ( -15.001 11.989 -0.774) 19.219 16.484 ( 4.525 -0.877 -1.755) 4.932 19.052 ( 10.006 -36.863 -21.349) 43.758 20.381 ( -1.859 -20.223 2.492) 20.460 21.328 ( 0.815 -18.412 -9.712) 20.833 23.262 ( 9.925 -4.167 -2.474) 11.044 24.843 ( -25.043 -3.087 -2.175) 25.326 27.991 ( -8.449 -0.496 1.344) 8.570 29.745 ( 19.252 9.878 14.669) 26.142 ======================= Grid point 749 (365/429) ======================= q-point: (-0.14 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( -24.110 -23.146 16.356) 37.209 3.479 ( -15.124 -19.411 38.964) 46.084 4.191 ( -7.229 -28.363 1.412) 29.304 4.984 ( -2.395 1.371 5.029) 5.736 5.058 ( -6.161 -12.074 3.332) 13.959 5.325 ( 2.463 -11.118 -4.912) 12.401 5.766 ( -16.556 -10.947 -7.252) 21.131 6.735 ( 3.862 -9.186 -0.236) 9.968 6.806 ( -2.959 -3.835 -0.721) 4.898 7.364 ( 6.830 5.901 0.055) 9.026 7.954 ( 5.254 -14.366 8.622) 17.559 8.222 ( 0.985 -16.209 1.043) 16.273 8.787 ( 0.122 -4.595 -9.399) 10.463 9.580 ( 1.308 -13.029 -5.503) 14.204 9.750 ( -2.285 -13.417 -8.595) 16.097 10.207 ( 0.179 -10.998 -11.229) 15.719 10.547 ( -6.310 -7.832 -3.944) 10.803 10.996 ( 17.983 -11.309 -7.048) 22.381 11.684 ( 8.341 0.098 22.769) 24.249 12.096 ( -3.113 -3.485 4.940) 6.800 13.031 ( 18.224 19.386 -3.737) 26.867 13.809 ( -8.042 10.140 -1.083) 12.987 13.874 ( -2.204 0.532 6.584) 6.963 14.118 ( -14.804 9.093 5.012) 18.082 14.673 ( 4.020 6.629 -6.274) 9.974 14.913 ( 1.815 -1.999 -1.729) 3.206 15.249 ( -6.863 32.059 3.575) 32.979 15.662 ( -11.040 21.472 3.305) 24.369 17.106 ( 13.269 -41.067 -2.309) 43.219 19.601 ( 5.559 -17.548 -7.057) 19.714 20.826 ( -0.787 -24.044 2.899) 24.231 21.729 ( 0.151 -24.224 -26.473) 35.884 23.476 ( 16.417 -11.049 -1.569) 19.851 24.784 ( -23.707 -5.885 -0.333) 24.429 27.957 ( -8.672 -1.036 0.044) 8.734 29.612 ( 13.326 16.750 16.620) 27.099 ======================= Grid point 750 (366/429) ======================= q-point: (-0.07 -0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( -13.785 -29.916 17.872) 37.476 3.803 ( -7.799 -15.311 34.514) 38.555 4.607 ( -1.474 -12.938 2.014) 13.177 4.959 ( -1.973 -5.977 -4.036) 7.477 5.214 ( -3.369 -8.749 -3.807) 10.119 5.693 ( 5.557 -19.050 2.131) 19.958 5.880 ( -10.098 -8.819 -12.831) 18.558 6.845 ( -0.791 -2.275 -3.047) 3.884 6.964 ( -12.490 -16.971 4.645) 21.578 7.340 ( 16.010 0.725 4.667) 16.692 8.175 ( -2.467 -8.249 7.571) 11.465 8.664 ( 6.565 -25.315 0.021) 26.153 8.989 ( -0.933 -17.905 -5.530) 18.763 9.858 ( 0.220 -16.416 -3.289) 16.744 10.001 ( 1.061 -15.503 -16.021) 22.319 10.435 ( -2.640 -14.756 -8.059) 17.019 10.603 ( -5.923 -4.811 -2.315) 7.975 11.325 ( 14.196 -13.031 -4.468) 19.781 11.768 ( -0.663 -2.757 18.240) 18.459 12.168 ( 1.876 -3.423 8.141) 9.029 12.610 ( 10.296 32.502 -1.306) 34.119 13.374 ( -13.820 20.501 12.419) 27.668 13.771 ( -6.693 1.706 -8.835) 11.215 14.285 ( 1.245 -9.255 -1.415) 9.445 14.551 ( 4.953 4.170 -8.940) 11.038 14.600 ( -9.594 21.495 -0.002) 23.539 14.995 ( 5.816 6.961 -0.327) 9.077 15.378 ( -4.058 0.470 9.999) 10.801 17.962 ( 15.641 -38.777 -1.601) 41.843 19.805 ( 1.652 -4.292 -0.198) 4.604 21.195 ( -5.753 -14.807 7.235) 17.456 22.069 ( 0.977 -17.158 -33.227) 37.409 23.839 ( 20.794 -14.865 -3.163) 25.756 24.776 ( -21.041 -6.774 0.810) 22.120 27.933 ( -8.445 -1.889 -0.575) 8.673 29.361 ( 7.075 18.885 18.171) 27.146 ======================= Grid point 762 (367/429) ======================= q-point: (-0.21 -0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -21.883 -0.000 18.430) 28.610 2.861 ( -40.396 -0.000 29.702) 50.141 3.577 ( -0.889 -0.000 -3.704) 3.809 4.474 ( -21.601 -0.000 46.069) 50.882 5.142 ( -7.335 -0.000 15.438) 17.092 5.288 ( 2.503 0.000 -7.995) 8.378 5.699 ( -13.791 -0.000 -25.039) 28.586 6.315 ( 5.805 0.000 -3.584) 6.822 6.713 ( -2.254 -0.000 0.515) 2.312 7.567 ( 12.626 0.000 7.192) 14.531 7.593 ( 1.977 0.000 -0.269) 1.995 7.897 ( 1.833 0.000 -2.094) 2.783 8.927 ( 0.524 0.000 -4.968) 4.995 9.220 ( -1.273 -0.000 -1.714) 2.135 9.501 ( -9.297 -0.000 1.408) 9.403 10.035 ( 5.644 0.000 -30.363) 30.883 10.191 ( -0.310 -0.000 2.149) 2.172 10.824 ( 14.456 0.000 -8.506) 16.773 11.696 ( 3.490 0.000 20.993) 21.281 12.044 ( 9.619 0.000 6.334) 11.518 13.337 ( 13.757 0.000 -7.656) 15.744 13.640 ( 8.185 0.000 2.157) 8.464 14.191 ( -7.378 -0.000 -4.650) 8.721 14.620 ( -7.860 -0.000 6.937) 10.483 14.764 ( 0.987 0.000 -1.320) 1.648 14.896 ( -5.087 -0.000 11.424) 12.505 15.943 ( 9.190 0.000 -9.868) 13.485 16.151 ( -24.924 -0.000 14.204) 28.687 16.807 ( -0.154 -0.000 0.760) 0.775 18.481 ( -0.586 -0.000 -29.846) 29.852 20.171 ( -0.637 -0.000 1.478) 1.609 21.150 ( 0.361 0.000 -1.262) 1.313 23.280 ( 11.982 0.000 -1.918) 12.135 24.659 ( -26.469 -0.000 1.373) 26.505 27.940 ( -8.336 -0.000 0.888) 8.383 29.997 ( 22.578 0.000 10.732) 24.999 ======================= Grid point 763 (368/429) ======================= q-point: (-0.14 -0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( -22.594 -12.326 19.234) 32.131 2.925 ( -32.509 -26.663 27.465) 50.221 3.742 ( -2.554 -16.412 3.887) 17.058 4.633 ( -14.184 -18.155 34.750) 41.694 5.064 ( -11.198 4.269 1.704) 12.105 5.277 ( 2.872 1.320 0.532) 3.205 5.567 ( -5.525 -0.672 -14.839) 15.848 6.521 ( 1.201 -14.103 -4.146) 14.749 6.736 ( 1.172 -2.982 -1.348) 3.476 7.522 ( 6.925 5.766 0.688) 9.037 7.772 ( 8.720 -9.497 8.861) 15.645 7.994 ( 1.962 -9.133 -1.534) 9.466 8.806 ( -0.864 6.880 -5.765) 9.018 9.361 ( 1.669 -11.015 -5.785) 12.553 9.505 ( -7.247 -6.804 -2.033) 10.147 10.026 ( -0.754 -4.823 -23.168) 23.677 10.321 ( -2.565 -10.726 -1.945) 11.198 10.931 ( 13.725 -4.632 -6.417) 15.843 11.713 ( -7.626 -1.145 12.555) 14.734 12.151 ( 20.627 1.700 13.695) 24.818 13.342 ( 10.463 4.734 -8.255) 14.144 13.747 ( 11.492 -2.981 1.162) 11.929 14.036 ( -4.367 7.915 -2.084) 9.277 14.373 ( -18.968 20.618 13.049) 30.905 14.758 ( 1.668 1.740 -2.883) 3.758 14.889 ( -3.375 -0.238 1.001) 3.529 15.833 ( -8.792 24.937 14.207) 30.016 15.988 ( -7.929 16.606 -6.652) 19.567 16.542 ( 6.210 -12.938 -2.380) 14.547 19.030 ( -0.691 -41.897 -20.954) 46.850 20.388 ( 2.880 -21.147 -1.987) 21.435 21.286 ( -1.995 -14.689 -8.348) 17.013 23.413 ( 17.659 -5.776 -1.154) 18.616 24.546 ( -25.661 -3.716 3.544) 26.169 27.896 ( -8.201 -0.270 0.318) 8.211 30.019 ( 18.520 12.459 10.502) 24.667 ======================= Grid point 764 (369/429) ======================= q-point: (-0.07 -0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -15.358 -26.314 19.498) 36.173 3.430 ( -16.442 -29.157 32.875) 46.917 4.133 ( -3.866 -25.935 4.943) 26.683 4.903 ( -10.527 -2.499 -7.456) 13.139 5.025 ( -3.949 -12.359 9.340) 15.987 5.347 ( 1.760 -11.622 5.486) 12.972 5.624 ( -3.481 -8.455 -5.788) 10.821 6.708 ( -6.352 -8.014 3.671) 10.865 6.821 ( 5.042 -2.890 -7.353) 9.372 7.465 ( 8.820 3.828 3.094) 10.101 8.007 ( -1.110 -9.195 5.528) 10.786 8.307 ( 11.713 -19.670 3.409) 23.146 8.741 ( -1.905 -4.102 -9.180) 10.234 9.562 ( -1.835 -12.676 -2.177) 12.992 9.686 ( -1.074 -14.701 -14.912) 20.967 10.135 ( -3.440 -11.739 -14.437) 18.922 10.468 ( -5.455 -6.742 -0.703) 8.701 11.146 ( 9.718 -11.561 -4.211) 15.679 11.726 ( -6.497 -2.740 8.420) 10.983 12.246 ( 18.064 3.118 16.491) 24.657 13.210 ( 13.919 18.718 -5.461) 23.957 13.730 ( -7.590 17.739 5.063) 19.948 13.775 ( -14.681 13.828 2.493) 20.322 14.071 ( 3.149 -9.665 3.468) 10.740 14.694 ( 3.762 5.899 -6.485) 9.539 14.813 ( -13.294 6.399 -5.707) 15.819 15.287 ( 6.042 24.876 5.970) 26.287 15.545 ( -10.035 16.182 5.120) 19.717 17.259 ( 13.910 -43.258 -1.823) 45.476 19.573 ( -6.926 -20.378 -4.837) 22.060 20.862 ( 6.788 -21.496 -2.976) 22.738 21.602 ( -4.661 -22.817 -25.754) 34.722 23.707 ( 24.311 -12.090 -2.658) 27.281 24.511 ( -23.837 -7.043 4.214) 25.211 27.858 ( -7.987 -0.823 -0.045) 8.029 29.814 ( 10.747 19.661 13.971) 26.406 ======================= Grid point 777 (370/429) ======================= q-point: (-0.14 -0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -17.482 -0.000 19.004) 25.823 2.464 ( -42.865 -0.000 26.789) 50.548 3.547 ( -1.806 -0.000 -3.208) 3.681 4.465 ( -11.227 -0.000 50.142) 51.384 5.029 ( -16.884 -0.000 -5.621) 17.795 5.317 ( 0.865 0.000 15.334) 15.359 5.553 ( 4.359 0.000 -22.095) 22.521 6.342 ( 0.625 0.000 -2.318) 2.401 6.715 ( 2.926 0.000 -1.528) 3.301 7.618 ( 2.173 0.000 0.732) 2.293 7.759 ( 14.410 0.000 8.557) 16.759 7.907 ( 1.061 0.000 -1.837) 2.121 8.916 ( 1.273 0.000 -6.660) 6.780 9.193 ( -2.095 -0.000 -2.338) 3.139 9.415 ( -5.837 -0.000 1.407) 6.004 9.912 ( -4.214 -0.000 -34.438) 34.695 10.198 ( 0.054 0.000 2.313) 2.314 10.941 ( 7.403 0.000 -3.192) 8.062 11.656 ( -9.525 -0.000 4.366) 10.478 12.360 ( 28.008 0.000 18.077) 33.335 13.372 ( 1.181 0.000 -10.781) 10.846 13.842 ( 21.037 0.000 4.472) 21.507 14.072 ( -11.551 -0.000 -1.750) 11.682 14.556 ( -6.979 -0.000 10.035) 12.223 14.770 ( 0.867 0.000 -1.341) 1.597 14.850 ( -7.583 -0.000 1.288) 7.692 15.879 ( -17.262 -0.000 4.176) 17.760 16.086 ( 8.306 0.000 0.994) 8.366 16.808 ( -0.187 -0.000 0.771) 0.793 18.312 ( -9.908 -0.000 -26.085) 27.903 20.170 ( -0.612 -0.000 1.461) 1.584 21.150 ( 0.353 0.000 -1.264) 1.312 23.468 ( 21.443 0.000 -0.844) 21.460 24.370 ( -24.971 -0.000 5.941) 25.668 27.848 ( -7.614 -0.000 0.474) 7.629 30.274 ( 18.866 0.000 4.384) 19.369 ======================= Grid point 778 (371/429) ======================= q-point: (-0.07 -0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -13.507 -12.342 22.185) 28.756 2.648 ( -28.888 -36.761 21.929) 51.641 3.736 ( -0.991 -18.132 3.710) 18.534 4.648 ( -6.076 -14.630 34.845) 38.277 4.855 ( -19.059 3.082 -7.524) 20.721 5.346 ( 3.081 1.089 13.930) 14.308 5.536 ( 7.171 -0.246 -13.235) 15.055 6.492 ( -4.158 -12.120 -0.010) 12.814 6.770 ( 6.319 -3.612 -5.776) 9.292 7.587 ( 3.992 4.056 1.696) 5.939 7.888 ( 3.999 -4.110 3.826) 6.893 8.056 ( 9.218 -13.873 3.981) 17.126 8.770 ( -1.512 8.244 -6.083) 10.356 9.357 ( 2.064 -12.222 -9.051) 15.348 9.421 ( -5.224 -5.109 -1.683) 7.498 9.888 ( -6.125 -7.690 -25.666) 27.484 10.295 ( -1.646 -8.084 0.898) 8.299 11.012 ( 1.483 -5.432 0.284) 5.638 11.642 ( -4.577 -2.778 -0.541) 5.381 12.503 ( 24.634 5.263 19.640) 31.941 13.364 ( 1.615 -0.227 -9.954) 10.087 13.895 ( -3.613 8.324 -0.697) 9.101 13.999 ( 9.741 -2.455 3.853) 10.759 14.237 ( -9.967 27.649 13.281) 32.252 14.759 ( -0.767 1.530 -6.815) 7.027 14.808 ( -7.865 1.479 0.374) 8.011 15.743 ( -12.500 8.710 6.106) 16.413 15.975 ( 6.278 37.205 1.855) 37.776 16.604 ( 6.105 -24.103 -3.781) 25.150 18.877 ( -13.216 -44.434 -15.782) 48.970 20.427 ( 6.316 -24.910 -7.225) 26.695 21.227 ( -3.382 -8.895 -5.028) 10.763 23.672 ( 27.321 -6.817 -2.064) 28.234 24.276 ( -23.579 -3.781 6.511) 24.752 27.807 ( -7.138 -0.068 0.596) 7.164 30.236 ( 12.727 14.203 5.471) 19.841 ======================= Grid point 792 (372/429) ======================= q-point: (-0.07 -0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -10.399 -0.000 18.808) 21.492 2.139 ( -26.306 -0.000 26.133) 37.080 3.515 ( -1.759 -0.000 -2.668) 3.195 4.568 ( -2.411 -0.000 43.204) 43.271 4.780 ( -18.826 -0.000 -5.220) 19.536 5.397 ( 2.605 0.000 13.930) 14.171 5.584 ( 9.947 0.000 -12.795) 16.206 6.317 ( -3.921 -0.000 0.549) 3.959 6.763 ( 7.045 0.000 -5.379) 8.864 7.648 ( 2.121 0.000 1.376) 2.528 7.908 ( 0.205 0.000 -1.484) 1.498 7.946 ( 11.376 0.000 7.417) 13.580 8.905 ( 1.263 0.000 -7.120) 7.231 9.156 ( -2.652 -0.000 -2.102) 3.384 9.383 ( -0.119 -0.000 0.629) 0.640 9.703 ( -8.559 -0.000 -34.197) 35.252 10.209 ( 0.337 0.000 2.134) 2.161 10.958 ( -4.628 -0.000 4.921) 6.755 11.589 ( -0.829 -0.000 -5.820) 5.878 12.738 ( 22.345 0.000 18.845) 29.230 13.341 ( 1.746 0.000 -10.312) 10.459 13.893 ( -19.925 -0.000 4.443) 20.414 14.094 ( 16.241 0.000 4.938) 16.975 14.568 ( 2.896 0.000 10.594) 10.983 14.731 ( -9.172 -0.000 -7.372) 11.768 14.773 ( 0.657 0.000 -1.348) 1.499 15.723 ( -11.008 -0.000 5.628) 12.363 16.195 ( 9.267 0.000 -4.099) 10.133 16.808 ( -0.232 -0.000 0.783) 0.817 18.074 ( -15.322 -0.000 -17.467) 23.235 20.168 ( -0.562 -0.000 1.455) 1.560 21.149 ( 0.352 0.000 -1.257) 1.305 23.770 ( 29.836 0.000 -2.398) 29.933 24.123 ( -20.713 -0.000 6.045) 21.577 27.769 ( -6.318 -0.000 1.191) 6.429 30.453 ( 10.034 0.000 -0.705) 10.059 ======================= Grid point 793 (373/429) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -0.000 -0.000 0.000) 0.000 2.353 ( -0.000 -0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 5.056 ( -0.000 -0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.704 ( -0.000 -0.000 0.000) 0.000 6.319 ( -0.000 -0.000 0.000) 0.000 6.705 ( -0.000 -0.000 0.000) 0.000 7.699 ( -0.000 -0.000 0.000) 0.000 7.889 ( -0.000 -0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.855 ( -0.000 -0.000 0.000) 0.000 9.061 ( 0.000 0.000 0.000) 0.000 9.106 ( -0.000 -0.000 0.000) 0.000 9.415 ( -0.000 -0.000 0.000) 0.000 10.238 ( -0.000 -0.000 0.000) 0.000 10.997 ( -0.000 -0.000 0.000) 0.000 11.492 ( 0.000 0.000 0.000) 0.000 13.143 ( -0.000 -0.000 0.000) 0.000 13.212 ( 0.000 0.000 -0.000) 0.000 13.824 ( -0.000 -0.000 0.000) 0.000 14.395 ( 0.000 0.000 0.000) 0.000 14.408 ( -0.000 -0.000 -0.000) 0.000 14.760 ( -0.000 -0.000 0.000) 0.000 14.768 ( -0.000 -0.000 0.000) 0.000 15.738 ( -0.000 -0.000 0.000) 0.000 16.148 ( 0.000 0.000 0.000) 0.000 16.817 ( -0.000 -0.000 0.000) 0.000 17.773 ( -0.000 -0.000 0.000) 0.000 20.183 ( -0.000 -0.000 0.000) 0.000 21.135 ( 0.000 0.000 0.000) 0.000 23.964 ( -0.000 -0.000 0.000) 0.000 24.042 ( 0.000 0.000 -0.000) 0.000 27.741 ( -0.000 -0.000 0.000) 0.000 30.480 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 795 (374/429) ======================= q-point: ( 0.07 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( -2.648 -14.066 -4.715) 15.070 2.645 ( 17.999 -40.308 -0.311) 44.145 3.748 ( 0.534 -25.265 -0.249) 25.272 4.412 ( 4.813 3.579 3.979) 7.198 5.095 ( -0.678 -4.223 -0.467) 4.303 5.593 ( -1.307 5.153 -2.820) 6.017 5.624 ( 0.060 1.760 -3.700) 4.098 6.523 ( -1.603 -16.381 1.769) 16.554 6.720 ( 2.156 -1.245 -2.671) 3.651 7.677 ( -0.901 1.054 -1.226) 1.851 7.890 ( 0.012 -1.822 0.687) 1.947 8.297 ( -4.702 -18.006 -2.174) 18.737 8.678 ( -0.514 17.704 0.130) 17.712 8.983 ( 1.207 -10.927 5.719) 12.392 9.425 ( 3.024 -1.173 -1.648) 3.638 9.505 ( 0.665 -20.743 2.893) 20.954 10.305 ( 0.400 -5.981 -0.141) 5.997 11.025 ( -6.035 -4.904 3.276) 8.438 11.558 ( 6.808 -4.648 -1.789) 8.435 13.109 ( -14.145 4.468 -8.575) 17.134 13.171 ( -1.415 -1.174 6.922) 7.162 13.763 ( 7.598 8.085 2.693) 11.417 14.257 ( -21.071 9.391 2.102) 23.164 14.338 ( 2.588 15.701 -2.731) 16.145 14.487 ( 14.512 9.603 2.146) 17.533 14.855 ( 3.984 2.076 -3.809) 5.890 15.628 ( 5.687 14.729 1.141) 15.830 16.166 ( 0.219 37.614 -4.099) 37.837 16.585 ( -1.299 -39.445 0.035) 39.466 18.491 ( -0.416 -47.662 6.566) 48.114 20.394 ( 0.962 -20.928 -1.253) 20.987 21.156 ( 0.376 -2.195 0.463) 2.275 23.901 ( -26.082 -5.182 5.378) 27.130 24.192 ( 26.915 -3.955 -9.176) 28.710 27.743 ( 1.077 0.116 1.186) 1.606 30.366 ( -3.530 10.508 0.074) 11.086 ======================= Grid point 796 (375/429) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 2.628 -26.692 -6.723) 27.651 3.665 ( 17.140 -50.410 -2.580) 53.307 4.220 ( -0.870 -20.282 -3.857) 20.663 4.442 ( 8.849 -3.418 8.310) 12.611 5.185 ( -4.436 -6.080 -2.109) 7.816 5.509 ( 3.374 3.250 1.884) 5.049 5.641 ( -3.020 -6.471 -7.198) 10.139 6.730 ( -2.779 -4.383 4.150) 6.645 6.815 ( 6.698 -7.417 -6.475) 11.908 7.677 ( -4.479 -3.634 -5.048) 7.665 8.005 ( 1.664 -10.377 1.685) 10.644 8.350 ( -3.228 7.686 5.008) 9.725 8.761 ( -7.012 -26.560 -4.249) 27.797 9.265 ( 0.948 -15.995 6.986) 17.480 9.532 ( 6.284 -8.432 -0.804) 10.547 9.877 ( 0.396 -17.944 4.328) 18.463 10.419 ( 1.917 -4.353 0.684) 4.805 11.141 ( -10.316 -11.755 5.644) 16.627 11.717 ( 11.676 -6.395 -4.248) 13.974 12.837 ( -24.452 9.634 -5.446) 26.840 13.176 ( -1.330 5.112 4.591) 6.998 13.597 ( 1.582 14.177 3.093) 14.596 13.801 ( 12.573 24.143 -4.214) 27.545 14.149 ( -4.680 6.548 0.162) 8.050 14.448 ( 2.274 2.360 5.135) 6.091 14.779 ( 1.617 6.311 -2.512) 6.982 15.267 ( 5.828 21.593 1.546) 22.419 15.716 ( 4.787 13.052 -7.980) 16.030 17.416 ( -7.896 -47.215 -3.289) 47.984 19.265 ( -1.826 -31.070 13.467) 33.912 20.900 ( 3.392 -29.403 -6.143) 30.229 21.233 ( 2.927 -4.958 4.169) 7.108 23.900 ( -24.135 -9.281 5.039) 26.345 24.433 ( 24.919 -6.916 -10.546) 27.928 27.759 ( 2.256 -0.592 2.353) 3.313 30.070 ( -5.551 17.080 -0.970) 17.985 ======================= Grid point 797 (376/429) ======================= q-point: ( 0.21 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 3.519 -31.965 -6.969) 32.905 4.408 ( 5.739 -11.457 -14.646) 19.461 4.580 ( 4.809 -26.013 3.344) 26.664 4.656 ( 7.210 -9.639 4.566) 12.874 5.256 ( -5.607 -7.671 -3.603) 10.162 5.520 ( 5.062 -0.653 9.026) 10.369 5.814 ( -4.163 -13.086 -3.733) 14.230 6.790 ( 0.561 -2.773 0.370) 2.853 6.950 ( 12.035 -2.890 -3.204) 12.785 7.732 ( -14.745 -9.625 -9.607) 20.059 8.217 ( 1.885 -6.352 4.153) 7.819 8.449 ( 5.159 -21.369 7.752) 23.310 9.212 ( -12.419 -26.471 -9.076) 30.616 9.602 ( -0.238 -17.788 8.202) 19.589 9.813 ( 6.539 -16.048 1.771) 17.419 10.230 ( 0.405 -18.671 5.990) 19.612 10.491 ( 3.210 -2.255 2.090) 4.445 11.348 ( -11.559 -14.749 5.621) 19.564 11.895 ( 14.452 -4.701 -6.624) 16.578 12.447 ( -18.134 18.923 4.041) 26.519 12.873 ( -8.113 15.423 -13.407) 21.987 13.399 ( 11.206 17.110 1.694) 20.523 13.572 ( 4.263 2.489 -1.933) 5.302 13.952 ( 5.761 17.385 13.544) 22.778 14.477 ( -2.560 -2.540 -0.295) 3.618 14.667 ( -4.863 1.093 0.880) 5.062 15.002 ( 6.429 10.801 -2.574) 12.831 15.610 ( 2.403 -0.978 -7.982) 8.393 18.167 ( -12.918 -38.644 -4.081) 40.950 19.676 ( -3.118 -12.143 11.516) 17.023 21.319 ( 7.086 -8.455 -5.099) 12.154 21.507 ( 4.755 -23.025 5.224) 24.084 23.983 ( -20.945 -12.156 5.135) 24.755 24.684 ( 21.386 -6.881 -9.997) 24.590 27.805 ( 3.336 -2.073 3.376) 5.179 29.685 ( -5.745 19.179 -2.571) 20.186 ======================= Grid point 798 (377/429) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.934 ( 4.006 -27.170 -6.820) 28.298 4.573 ( 0.892 -9.367 -16.578) 19.062 4.763 ( -3.260 0.655 -5.101) 6.089 4.902 ( 7.130 -9.427 6.630) 13.552 5.420 ( -3.852 -6.670 13.535) 15.573 5.641 ( 4.918 -8.481 -4.896) 10.958 5.993 ( -6.326 -8.502 1.491) 10.702 6.854 ( 3.151 -3.006 -0.113) 4.356 7.056 ( 15.547 0.836 0.773) 15.588 7.843 ( -15.678 -12.923 -10.410) 22.829 8.444 ( 0.628 -17.699 6.320) 18.804 9.046 ( 8.404 -32.485 5.131) 33.944 9.557 ( -11.807 -19.904 -8.996) 24.829 9.959 ( -0.898 -18.171 7.937) 19.850 10.149 ( 2.824 -14.553 2.111) 14.974 10.506 ( 0.680 -7.568 2.188) 7.907 10.671 ( 2.542 -15.274 6.754) 16.893 11.524 ( -11.162 -6.962 2.896) 13.470 11.888 ( 2.612 15.637 -0.998) 15.885 12.143 ( 8.251 -1.250 -1.652) 8.507 12.618 ( -15.606 3.134 -16.821) 23.158 13.092 ( 10.574 18.387 -3.554) 21.507 13.622 ( 2.968 1.002 1.353) 3.412 13.653 ( 7.628 16.970 18.373) 26.148 14.355 ( -3.435 9.289 0.018) 9.904 14.740 ( -3.202 -1.046 3.979) 5.213 14.970 ( 2.523 -10.484 -7.371) 13.061 15.720 ( -1.351 -10.288 -6.352) 12.166 18.704 ( -14.228 -27.670 -2.682) 31.229 19.775 ( -4.234 -0.205 6.134) 7.457 21.467 ( 10.538 -2.945 1.292) 11.018 21.928 ( 3.667 -16.703 0.426) 17.106 24.119 ( -17.086 -12.539 4.933) 21.760 24.888 ( 17.612 -4.193 -8.295) 19.914 27.888 ( 3.923 -3.565 4.037) 6.663 29.290 ( -4.772 18.422 -3.817) 19.409 ======================= Grid point 799 (378/429) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.341 ( 1.969 -14.998 -9.428) 17.824 4.646 ( -2.261 5.721 -9.329) 11.175 4.733 ( 1.055 -8.705 -8.588) 12.274 5.159 ( 5.539 -11.607 9.326) 15.886 5.502 ( -6.671 -4.085 19.258) 20.786 5.800 ( 2.145 -7.163 -14.343) 16.175 6.065 ( -5.999 -3.214 1.236) 6.918 6.924 ( 2.389 -1.928 1.037) 3.240 7.104 ( 11.279 2.138 3.479) 11.995 7.944 ( -8.316 -6.333 -7.334) 12.769 8.885 ( -0.365 -25.203 5.533) 25.806 9.687 ( 5.084 -27.457 6.684) 28.712 9.824 ( -6.869 -17.121 -8.668) 20.382 10.254 ( 0.696 -9.585 3.445) 10.209 10.366 ( 0.256 -8.561 7.014) 11.070 10.720 ( 2.074 -14.560 -4.710) 15.442 10.886 ( 0.024 -2.663 7.171) 7.650 11.395 ( -4.484 8.178 -0.899) 9.370 11.797 ( -5.288 -3.183 0.835) 6.228 12.300 ( 9.974 -5.755 -5.992) 12.981 12.421 ( -6.909 6.536 -9.867) 13.705 12.896 ( 7.377 7.606 -1.901) 10.765 13.398 ( 5.846 11.866 8.824) 15.901 13.603 ( -0.664 8.722 5.687) 10.434 14.229 ( -4.736 -0.959 0.200) 4.837 14.682 ( 2.113 4.209 0.302) 4.720 15.293 ( -0.788 -20.124 -2.928) 20.351 15.897 ( -3.444 -9.597 -4.601) 11.186 19.054 ( -12.468 -18.584 -0.720) 22.390 19.702 ( -3.319 5.347 2.122) 6.641 21.560 ( 9.765 -0.254 1.926) 9.956 22.177 ( 2.407 -8.230 -0.337) 8.581 24.255 ( -12.374 -9.700 3.981) 16.219 25.014 ( 13.111 -1.195 -6.112) 14.515 27.997 ( 3.771 -4.693 4.217) 7.351 28.931 ( -3.493 16.031 -4.340) 16.971 ======================= Grid point 800 (379/429) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.460 ( -4.497 0.509 -6.721) 8.103 4.607 ( 4.754 -5.585 -10.891) 13.131 4.813 ( 0.572 1.156 4.969) 5.133 5.406 ( 3.241 -9.179 4.024) 10.533 5.598 ( -6.347 -6.279 11.688) 14.708 5.889 ( 2.109 -3.936 -11.563) 12.395 6.066 ( -4.065 -0.020 0.794) 4.142 6.951 ( 0.882 -0.066 1.214) 1.502 7.134 ( 6.037 0.764 2.655) 6.639 7.965 ( -4.660 -1.613 -3.792) 6.221 9.317 ( 0.976 -17.385 5.050) 18.130 10.025 ( -5.252 -10.592 1.770) 11.955 10.158 ( 4.102 -14.587 -2.917) 15.431 10.342 ( 0.294 -1.873 1.086) 2.185 10.536 ( -0.687 -6.974 3.865) 8.003 10.846 ( 3.033 4.197 5.244) 7.370 10.995 ( 3.654 -11.077 -8.742) 14.576 11.277 ( -7.229 3.260 1.927) 8.161 11.793 ( -5.996 -0.024 1.121) 6.100 12.213 ( 0.537 4.927 -8.167) 9.553 12.562 ( 11.427 -10.903 -1.617) 15.876 12.820 ( 3.262 4.346 0.706) 5.480 13.258 ( -5.191 11.336 4.516) 13.260 13.379 ( 1.143 7.863 1.915) 8.173 14.310 ( -3.385 -7.320 0.730) 8.098 14.635 ( 2.760 2.401 -0.471) 3.689 15.644 ( 0.419 -16.529 -0.434) 16.540 15.985 ( -3.418 -1.954 -2.989) 4.944 19.276 ( -8.893 -12.041 0.808) 14.991 19.571 ( -0.172 7.172 -0.305) 7.181 21.603 ( 5.764 0.597 1.190) 5.916 22.287 ( 1.179 -2.959 -0.326) 3.202 24.345 ( -6.597 -5.012 2.266) 8.589 25.071 ( 7.159 0.212 -3.364) 7.913 28.122 ( 2.888 -5.466 3.769) 7.240 28.639 ( -2.406 11.841 -3.936) 12.708 ======================= Grid point 801 (380/429) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 394 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.420 ( -0.000 0.000 -0.000) 0.000 4.729 ( 0.000 -0.000 -0.000) 0.000 4.748 ( -0.000 0.000 0.000) 0.000 5.513 ( -0.000 0.000 0.000) 0.000 5.658 ( -0.000 0.000 0.000) 0.000 5.930 ( -0.000 0.000 -0.000) 0.000 6.044 ( -0.000 0.000 0.000) 0.000 6.954 ( -0.000 0.000 0.000) 0.000 7.148 ( 0.000 0.000 0.000) 0.000 7.959 ( -0.000 0.000 -0.000) 0.000 9.504 ( -0.000 0.000 0.000) 0.000 10.100 ( -0.000 0.000 -0.000) 0.000 10.295 ( 0.000 0.000 -0.000) 0.000 10.369 ( -0.000 0.000 0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 10.786 ( 0.000 -0.000 0.000) 0.000 11.142 ( 0.000 -0.000 -0.000) 0.000 11.179 ( -0.000 0.000 0.000) 0.000 11.777 ( 0.000 0.000 0.000) 0.000 12.165 ( -0.000 0.000 0.000) 0.000 12.783 ( -0.000 0.000 0.000) 0.000 12.815 ( 0.000 -0.000 0.000) 0.000 12.984 ( -0.000 0.000 0.000) 0.000 13.348 ( -0.000 0.000 0.000) 0.000 14.384 ( -0.000 0.000 0.000) 0.000 14.619 ( -0.000 0.000 0.000) 0.000 15.865 ( -0.000 0.000 0.000) 0.000 15.932 ( 0.000 0.000 0.000) 0.000 19.408 ( 0.000 0.000 -0.000) 0.000 19.455 ( -0.000 -0.000 0.000) 0.000 21.615 ( -0.000 0.000 -0.000) 0.000 22.316 ( -0.000 0.000 0.000) 0.000 24.375 ( -0.000 0.000 0.000) 0.000 25.086 ( -0.000 0.000 0.000) 0.000 28.210 ( -0.000 0.000 0.000) 0.000 28.490 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 810 (381/429) ======================= q-point: ( 0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 7.972 0.000 -2.484) 8.350 2.509 ( 28.110 0.000 -8.144) 29.266 3.470 ( 0.447 0.000 1.326) 1.399 4.507 ( 8.626 0.000 6.975) 11.093 5.057 ( 0.208 0.000 0.756) 0.784 5.573 ( -5.578 -0.000 -8.360) 10.050 5.715 ( 3.829 0.000 -8.576) 9.392 6.304 ( -3.618 -0.000 3.797) 5.245 6.715 ( 2.872 0.000 -3.827) 4.784 7.690 ( -0.928 -0.000 -1.722) 1.956 7.886 ( -0.694 -0.000 0.622) 0.932 8.068 ( -7.042 -0.000 -3.445) 7.839 8.820 ( -3.082 -0.000 -3.117) 4.383 9.113 ( 0.516 0.000 1.929) 1.996 9.135 ( 4.906 0.000 17.936) 18.595 9.439 ( 5.378 0.000 -3.907) 6.647 10.237 ( -0.009 -0.000 -0.613) 0.613 10.940 ( -10.817 -0.000 5.862) 12.303 11.565 ( 12.294 0.000 -2.414) 12.528 13.025 ( -24.608 -0.000 -7.475) 25.718 13.161 ( 0.445 0.000 4.844) 4.864 13.900 ( 8.107 0.000 4.693) 9.367 14.188 ( -20.327 -0.000 -4.379) 20.793 14.486 ( 1.615 0.000 10.320) 10.445 14.759 ( -0.248 -0.000 0.021) 0.249 14.882 ( 18.105 0.000 -11.915) 21.674 15.802 ( 9.004 0.000 -2.226) 9.275 16.136 ( 0.271 0.000 0.637) 0.692 16.816 ( -0.050 -0.000 0.016) 0.052 17.807 ( 2.763 0.000 8.106) 8.564 20.184 ( 0.074 0.000 0.017) 0.076 21.135 ( 0.012 0.000 0.025) 0.028 23.709 ( -24.643 -0.000 2.842) 24.806 24.295 ( 27.124 0.000 -10.692) 29.155 27.757 ( 2.081 0.000 2.331) 3.125 30.437 ( -7.525 -0.000 0.519) 7.543 ======================= Grid point 811 (382/429) ======================= q-point: ( 0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 8.320 -15.658 -8.285) 19.571 2.942 ( 32.074 -32.748 -5.087) 46.120 3.760 ( 2.117 -24.713 -1.172) 24.831 4.542 ( 11.474 3.271 10.828) 16.112 5.077 ( -2.276 -2.111 0.430) 3.134 5.523 ( -5.596 -0.761 -10.089) 11.562 5.629 ( 4.871 5.765 -8.573) 11.422 6.502 ( -3.640 -16.495 3.626) 17.276 6.747 ( 5.210 -2.305 -6.421) 8.584 7.647 ( -2.675 2.288 -3.385) 4.884 7.895 ( -0.047 -2.986 1.601) 3.388 8.181 ( -11.839 -15.194 -5.816) 20.121 8.676 ( -0.130 12.922 2.024) 13.080 9.040 ( 1.651 -8.129 13.046) 15.460 9.478 ( 7.642 -1.943 -4.335) 8.998 9.543 ( 2.068 -19.365 8.759) 21.354 10.313 ( 1.119 -6.947 -0.418) 7.049 10.922 ( -14.505 -4.927 7.884) 17.229 11.685 ( 15.569 -4.214 -3.564) 16.519 12.802 ( -29.510 4.808 -7.898) 30.924 13.187 ( -0.867 -1.030 5.813) 5.967 13.870 ( 4.961 10.896 2.331) 12.197 14.024 ( -16.414 0.741 0.312) 16.434 14.381 ( 5.087 15.964 0.949) 16.782 14.611 ( 4.074 8.924 5.938) 11.467 14.919 ( 10.574 5.529 -9.480) 15.240 15.747 ( 10.936 16.938 3.765) 20.510 16.156 ( 5.340 29.226 -13.692) 32.713 16.558 ( -3.101 -29.415 0.013) 29.578 18.524 ( -2.402 -47.022 17.752) 50.319 20.407 ( 2.849 -21.789 -3.515) 22.254 21.168 ( 0.942 -3.441 1.453) 3.852 23.626 ( -22.582 -5.342 1.906) 23.284 24.463 ( 25.959 -3.395 -11.797) 28.715 27.777 ( 3.176 0.046 3.445) 4.686 30.285 ( -10.147 10.014 -0.275) 14.259 ======================= Grid point 812 (383/429) ======================= q-point: ( 0.21 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 11.063 -24.922 -10.123) 29.086 3.893 ( 22.763 -44.932 -6.491) 50.785 4.206 ( 2.159 -18.117 -7.802) 19.843 4.607 ( 11.225 -1.590 14.522) 18.424 5.102 ( -8.720 -3.842 -0.393) 9.537 5.537 ( -3.422 -5.459 -4.330) 7.763 5.603 ( 7.256 -1.338 -5.925) 9.462 6.718 ( -1.734 -6.391 3.574) 7.525 6.879 ( 8.987 -8.803 -8.809) 15.357 7.581 ( -7.334 0.747 -8.084) 10.940 8.042 ( 3.106 -11.446 2.508) 12.122 8.290 ( -10.583 -2.926 4.016) 11.691 8.678 ( -3.670 -16.824 -1.563) 17.291 9.305 ( -0.226 -15.149 10.912) 18.671 9.618 ( 8.814 -8.994 -1.987) 12.749 9.910 ( 1.193 -17.310 8.241) 19.208 10.453 ( 2.819 -5.024 1.548) 5.965 11.011 ( -15.783 -12.756 7.751) 21.723 11.872 ( 17.173 -5.735 -5.750) 18.996 12.506 ( -27.358 6.359 -6.294) 28.784 13.116 ( -11.341 10.523 3.303) 15.820 13.615 ( 2.586 10.184 2.358) 10.769 13.984 ( 17.625 19.901 -1.408) 26.621 14.091 ( -4.873 0.150 -0.945) 4.966 14.484 ( -0.998 8.076 8.997) 12.131 14.802 ( 3.669 9.103 -1.749) 9.969 15.339 ( 5.005 23.247 -0.357) 23.783 15.770 ( 12.015 15.504 -14.323) 24.288 17.278 ( -12.611 -44.649 -4.140) 46.580 19.290 ( -5.677 -30.380 21.281) 37.524 20.930 ( 7.086 -28.805 -10.434) 31.445 21.300 ( 4.182 -8.457 7.615) 12.125 23.651 ( -20.542 -10.091 2.429) 23.015 24.674 ( 23.316 -5.599 -11.401) 26.551 27.811 ( 4.319 -0.659 4.488) 6.264 29.970 ( -10.385 15.886 -2.363) 19.126 ======================= Grid point 813 (384/429) ======================= q-point: ( 0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( 10.433 -30.125 -9.524) 33.272 4.408 ( 5.452 -7.246 -19.345) 21.365 4.640 ( 3.750 -17.785 -2.904) 18.406 4.773 ( 7.798 -7.634 9.701) 14.602 5.183 ( -5.115 -12.948 0.438) 13.928 5.618 ( 3.545 -1.622 8.488) 9.341 5.750 ( -2.212 -11.587 -3.159) 12.212 6.808 ( 2.101 -3.651 0.537) 4.246 7.108 ( 17.468 -7.948 -4.973) 19.825 7.506 ( -16.759 -4.440 -10.911) 20.485 8.245 ( -0.110 -7.370 3.036) 7.971 8.529 ( 3.164 -25.740 8.586) 27.319 9.048 ( -9.563 -24.036 -6.588) 26.694 9.625 ( -1.552 -17.378 9.624) 19.925 9.895 ( 6.572 -14.372 0.282) 15.806 10.265 ( 0.863 -17.816 8.532) 19.773 10.536 ( 1.842 -3.104 3.997) 5.386 11.223 ( -12.500 -15.762 4.782) 20.678 12.049 ( 15.161 -2.644 -9.565) 18.120 12.247 ( -16.746 6.352 2.669) 18.108 12.690 ( -14.021 19.627 -9.704) 25.999 13.560 ( 13.983 16.663 2.755) 21.926 13.629 ( 7.174 7.432 -3.678) 10.965 14.070 ( 4.330 12.862 16.137) 21.085 14.443 ( -2.944 -6.845 -0.244) 7.455 14.621 ( -3.575 8.930 2.232) 9.875 15.038 ( 1.326 10.669 -4.567) 11.680 15.620 ( 6.137 2.599 -12.402) 14.080 17.980 ( -15.749 -38.433 -3.610) 41.692 19.666 ( -6.816 -10.947 13.474) 18.650 21.398 ( 10.477 -13.976 -8.817) 19.566 21.597 ( 5.393 -18.855 9.342) 21.723 23.769 ( -17.969 -13.593 3.390) 22.785 24.888 ( 19.715 -5.370 -9.554) 22.557 27.872 ( 5.167 -1.920 5.296) 7.644 29.586 ( -8.788 17.539 -4.365) 20.097 ======================= Grid point 814 (385/429) ======================= q-point: ( 0.36 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.975 ( 8.811 -24.860 -10.532) 28.400 4.531 ( 3.017 -8.396 -17.450) 19.599 4.682 ( -6.080 2.518 -7.302) 9.829 5.016 ( 5.902 -10.184 11.756) 16.636 5.439 ( -0.294 -9.107 9.166) 12.925 5.668 ( 0.932 -2.243 -0.909) 2.593 5.921 ( -6.391 -8.386 0.767) 10.571 6.893 ( 3.419 -3.289 0.468) 4.767 7.215 ( 6.716 3.716 -1.204) 7.769 7.668 ( -3.691 -18.086 -7.687) 19.995 8.465 ( -0.030 -17.465 2.693) 17.672 9.150 ( 5.022 -32.658 7.478) 33.877 9.405 ( -8.297 -20.876 -6.974) 23.522 9.985 ( -0.023 -18.841 8.592) 20.708 10.188 ( 2.837 -12.595 1.232) 12.969 10.524 ( 0.529 -7.574 3.033) 8.175 10.710 ( -0.892 -13.602 7.315) 15.470 11.408 ( -9.499 -7.544 1.502) 12.223 11.892 ( -1.870 15.322 1.710) 15.531 12.236 ( 5.398 -3.346 -9.387) 11.334 12.389 ( -8.797 1.004 -10.917) 14.056 13.218 ( 13.041 19.868 -4.581) 24.203 13.676 ( 4.930 1.437 3.392) 6.154 13.801 ( 5.501 17.667 17.854) 25.713 14.308 ( -4.853 12.275 0.405) 13.205 14.703 ( -4.745 -7.046 3.247) 9.095 14.958 ( -0.304 -7.739 -7.895) 11.060 15.685 ( 0.479 -8.188 -8.868) 12.079 18.520 ( -15.085 -29.057 -1.788) 32.788 19.736 ( -6.153 -0.132 6.119) 8.678 21.604 ( 11.662 -3.364 0.463) 12.146 21.977 ( 3.879 -15.128 1.212) 15.664 23.950 ( -14.295 -14.353 3.690) 20.590 25.054 ( 15.638 -2.570 -7.297) 17.447 27.961 ( 5.333 -3.014 5.649) 8.333 29.206 ( -6.518 16.765 -5.485) 18.805 ======================= Grid point 815 (386/429) ======================= q-point: ( 0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.317 ( 2.012 -9.695 -16.445) 19.195 4.580 ( -3.222 1.053 -5.726) 6.655 4.735 ( 4.750 -11.182 -8.170) 14.641 5.268 ( 4.636 -10.273 13.592) 17.657 5.517 ( -3.093 0.036 20.160) 20.396 5.752 ( -0.808 -7.755 -14.959) 16.869 5.998 ( -5.791 -4.104 -0.148) 7.099 6.956 ( 2.251 -1.098 1.149) 2.755 7.164 ( -3.191 1.362 -2.885) 4.512 7.891 ( 3.057 -5.728 0.380) 6.504 8.914 ( 3.210 -25.761 1.855) 26.026 9.690 ( -5.587 -20.033 -2.061) 20.899 9.796 ( 3.034 -25.049 4.056) 25.556 10.287 ( 1.905 -7.884 5.089) 9.575 10.398 ( 1.522 -9.356 5.085) 10.757 10.720 ( 1.227 -13.878 -5.932) 15.142 10.892 ( -3.958 -4.238 6.945) 9.048 11.333 ( -4.944 7.256 -0.995) 8.837 11.752 ( -2.987 0.018 0.643) 3.055 12.224 ( -9.186 -0.879 -14.950) 17.569 12.470 ( 12.121 -6.151 -1.228) 13.648 12.989 ( 9.532 11.156 -1.680) 14.769 13.483 ( 3.687 14.475 6.465) 16.276 13.643 ( 2.702 13.526 8.208) 16.051 14.159 ( -7.315 -2.863 0.093) 7.856 14.685 ( -1.951 2.468 0.357) 3.166 15.275 ( -0.346 -21.296 -3.201) 21.538 15.843 ( -2.181 -9.123 -5.496) 10.872 18.905 ( -12.288 -20.804 -0.124) 24.162 19.668 ( -3.768 4.163 1.909) 5.931 21.682 ( 9.526 1.597 1.793) 9.824 22.203 ( 2.212 -7.323 -0.528) 7.668 24.137 ( -9.889 -11.847 3.070) 15.734 25.135 ( 11.134 0.912 -5.148) 12.301 28.065 ( 4.718 -3.768 5.509) 8.174 28.865 ( -4.506 14.664 -5.688) 16.361 ======================= Grid point 816 (387/429) ======================= q-point: ( 0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.356 ( -6.229 -2.276 -11.956) 13.672 4.626 ( 4.216 -5.292 -7.391) 10.020 4.865 ( 4.882 1.453 4.150) 6.570 5.475 ( 4.019 -5.423 9.346) 11.529 5.573 ( -5.155 -6.037 10.083) 12.833 5.867 ( 1.786 -6.488 -10.823) 12.744 6.018 ( -4.683 -1.271 1.107) 4.977 6.969 ( 1.372 0.685 1.067) 1.868 7.115 ( -8.127 -0.309 -5.144) 9.624 7.970 ( 4.960 -0.934 4.665) 6.873 9.357 ( 4.017 -16.172 0.643) 16.676 9.965 ( -4.379 -12.416 -2.997) 13.502 10.194 ( 0.860 -12.675 7.618) 14.814 10.369 ( 3.475 -1.212 0.647) 3.737 10.541 ( 0.018 -4.949 1.124) 5.075 10.897 ( 1.852 2.326 5.094) 5.899 10.997 ( 2.184 -13.114 -8.135) 15.586 11.188 ( -8.517 4.049 0.786) 9.463 11.742 ( -3.312 -1.076 0.672) 3.546 12.171 ( -2.060 0.106 -8.755) 8.994 12.697 ( 12.477 -10.122 -1.618) 16.148 12.856 ( 3.106 7.266 -0.031) 7.902 13.216 ( -4.157 17.902 3.411) 18.692 13.421 ( 3.214 7.521 4.484) 9.327 14.264 ( -4.921 -9.019 0.568) 10.290 14.639 ( -1.712 1.514 -0.382) 2.318 15.653 ( 1.356 -17.708 -0.477) 17.766 15.940 ( -2.189 -2.517 -3.021) 4.500 19.177 ( -8.264 -14.769 0.890) 16.947 19.568 ( -0.183 4.998 -0.300) 5.010 21.673 ( 5.215 3.848 1.299) 6.610 22.297 ( 0.839 -2.371 -0.677) 2.604 24.284 ( -5.068 -7.768 1.794) 9.448 25.137 ( 5.939 3.159 -2.784) 7.280 28.175 ( 3.501 -3.965 4.815) 7.153 28.589 ( -3.085 10.450 -4.996) 11.987 ======================= Grid point 817 (388/429) ======================= q-point: (-0.43 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.375 ( -4.691 -5.583 -5.189) 8.950 4.729 ( 2.158 -2.015 -5.181) 5.963 4.798 ( 3.976 6.187 8.636) 11.343 5.519 ( 0.311 3.249 1.191) 3.474 5.670 ( 1.202 -2.110 3.018) 3.873 5.936 ( 1.556 0.897 -2.222) 2.857 6.035 ( -1.686 -4.115 1.875) 4.826 6.959 ( 0.718 1.048 -0.041) 1.271 7.058 ( -11.556 -0.886 -6.542) 13.309 8.026 ( 7.517 -0.006 6.903) 10.206 9.501 ( 0.857 2.620 -5.555) 6.201 10.092 ( -1.159 -3.816 0.199) 3.993 10.300 ( -0.901 1.925 7.964) 8.243 10.391 ( 3.826 1.592 -2.300) 4.740 10.640 ( 0.654 -1.892 -3.601) 4.120 10.796 ( 1.142 6.594 0.345) 6.701 11.089 ( -8.503 1.090 5.770) 10.334 11.210 ( 4.546 -7.570 -4.746) 10.025 11.783 ( 1.150 -3.710 -0.372) 3.902 12.156 ( -1.145 -0.616 -0.914) 1.589 12.762 ( -3.693 6.475 0.979) 7.518 12.779 ( -3.758 11.096 -1.583) 11.821 13.048 ( 9.412 -11.701 -1.330) 15.076 13.363 ( 1.509 2.737 2.627) 4.082 14.375 ( -1.369 -3.295 -0.211) 3.574 14.594 ( -4.127 1.259 0.117) 4.316 15.863 ( 0.289 5.152 -1.127) 5.282 15.946 ( 1.623 -7.093 1.098) 7.359 19.383 ( -3.083 -10.564 0.620) 11.022 19.481 ( 3.303 5.026 -0.621) 6.047 21.614 ( -0.172 3.858 0.235) 3.869 22.314 ( -0.285 0.497 -0.344) 0.668 24.378 ( 0.501 -3.450 -0.078) 3.487 25.085 ( -0.250 3.710 0.130) 3.721 28.210 ( 0.014 4.196 0.123) 4.198 28.489 ( -0.064 -3.887 -0.129) 3.889 ======================= Grid point 818 (389/429) ======================= q-point: (-0.36 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.491 ( -0.508 -8.081 -1.640) 8.261 4.607 ( -2.104 9.831 10.147) 14.285 4.819 ( 2.835 0.181 -0.247) 2.852 5.367 ( -2.237 11.882 -0.353) 12.096 5.640 ( 7.776 6.865 -9.140) 13.825 5.897 ( -3.286 2.473 8.616) 9.547 6.110 ( 3.861 -1.681 0.375) 4.228 6.940 ( -0.514 1.188 -1.031) 1.655 6.991 ( -13.130 -1.278 -6.156) 14.557 8.075 ( 8.474 1.598 7.762) 11.602 9.292 ( 0.594 17.054 -8.091) 18.886 10.042 ( -2.082 11.683 -2.865) 12.208 10.158 ( 2.072 13.056 9.543) 16.304 10.352 ( 2.324 3.476 -1.427) 4.418 10.527 ( 1.296 9.167 -6.932) 11.566 10.791 ( -3.505 -4.638 -3.880) 6.989 10.978 ( -4.469 9.312 7.598) 12.822 11.339 ( 4.650 -3.268 -1.992) 6.022 11.874 ( 8.588 -1.502 -1.818) 8.906 12.219 ( -3.669 -8.376 7.425) 11.780 12.450 ( -8.112 11.531 1.355) 14.164 12.768 ( -4.666 -3.963 -2.476) 6.603 13.289 ( 2.419 0.257 -3.018) 3.876 13.397 ( 4.852 -12.105 -0.353) 13.046 14.338 ( 1.923 6.133 -0.890) 6.489 14.582 ( -6.254 -3.518 0.721) 7.211 15.647 ( 0.603 15.661 0.268) 15.675 16.037 ( 3.400 1.221 2.367) 4.319 19.372 ( 7.679 9.139 -0.592) 11.951 19.574 ( 0.136 -9.126 0.261) 9.131 21.534 ( -5.109 2.775 -0.899) 5.883 22.274 ( -1.206 3.508 0.023) 3.710 24.418 ( 7.149 1.450 -2.465) 7.700 24.998 ( -7.378 3.468 3.424) 8.842 28.080 ( -2.071 6.688 -2.576) 7.461 28.675 ( 1.635 -12.950 2.700) 13.329 ======================= Grid point 819 (390/429) ======================= q-point: (-0.29 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.349 ( -0.620 17.154 3.596) 17.538 4.683 ( -1.372 -9.320 7.468) 12.022 4.770 ( 1.707 6.691 7.295) 10.045 5.080 ( -3.460 15.005 -4.571) 16.063 5.524 ( 7.560 6.770 -14.319) 17.551 5.811 ( -3.798 7.290 10.598) 13.412 6.129 ( 5.552 2.797 -1.494) 6.394 6.880 ( -6.857 2.127 -0.906) 7.237 6.950 ( -8.273 -1.384 -3.280) 9.006 8.085 ( 8.954 4.247 7.939) 12.698 8.877 ( 2.214 25.119 -7.352) 26.266 9.586 ( -8.489 29.396 -1.066) 30.615 9.956 ( 9.353 14.531 6.880) 18.600 10.246 ( 0.759 11.521 -1.910) 11.703 10.336 ( -0.229 7.785 -7.583) 10.870 10.711 ( -1.692 15.204 2.802) 15.552 10.846 ( -2.272 1.741 -5.377) 6.092 11.439 ( 2.567 -9.236 0.518) 9.600 11.867 ( 7.071 6.357 -1.308) 9.598 12.179 ( -11.528 6.936 3.202) 13.830 12.557 ( 7.558 -17.148 10.275) 21.372 12.833 ( -4.274 -5.293 1.419) 6.949 13.290 ( -6.469 -6.485 -8.358) 12.400 13.609 ( 2.755 -4.730 -3.425) 6.457 14.271 ( 2.748 -0.508 -0.242) 2.805 14.641 ( -4.380 -5.760 0.061) 7.236 15.314 ( 1.153 19.538 1.911) 19.666 15.951 ( 3.019 9.736 2.991) 10.623 19.190 ( 9.740 16.147 1.026) 18.885 19.727 ( 2.167 -5.979 -1.849) 6.623 21.448 ( -7.665 2.105 -1.545) 8.098 22.152 ( -1.901 8.977 0.166) 9.178 24.393 ( 13.950 6.955 -4.838) 16.321 24.877 ( -14.242 3.786 6.456) 16.089 27.947 ( -2.438 5.405 -2.633) 6.488 28.978 ( 2.197 -17.075 2.696) 17.425 ======================= Grid point 820 (391/429) ======================= q-point: (-0.21 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.926 ( -1.102 27.486 3.230) 27.697 4.633 ( 1.258 11.144 14.105) 18.020 4.776 ( -1.076 8.371 -9.661) 12.828 4.823 ( -3.988 2.184 5.160) 6.877 5.424 ( 3.846 5.647 -9.115) 11.392 5.601 ( -4.116 12.513 3.660) 13.672 6.051 ( 4.176 8.443 -1.167) 9.491 6.818 ( -3.843 0.559 1.377) 4.120 6.906 ( -8.010 0.695 -1.138) 8.121 8.055 ( 12.644 7.632 9.565) 17.596 8.406 ( -1.052 21.084 -8.483) 22.751 8.930 ( -8.089 32.230 -1.855) 33.282 9.728 ( 10.441 18.005 9.198) 22.755 9.940 ( 0.102 18.749 -6.754) 19.928 10.107 ( -2.602 16.709 -2.525) 17.098 10.495 ( 0.023 6.364 -1.330) 6.502 10.613 ( -3.127 17.313 -4.173) 18.082 11.640 ( 10.673 6.502 -4.197) 13.183 11.835 ( -7.741 -8.062 4.188) 11.935 12.083 ( -2.479 -9.661 -0.555) 9.990 12.837 ( 9.563 -1.187 13.846) 16.869 13.016 ( -2.764 -18.042 2.471) 18.419 13.484 ( -9.558 -20.883 -13.526) 26.654 13.603 ( -0.280 3.293 -1.898) 3.811 14.390 ( 2.446 -8.109 0.091) 8.470 14.742 ( -0.327 -6.136 -2.647) 6.691 14.969 ( -1.229 16.046 4.429) 16.692 15.756 ( 1.364 11.393 3.218) 11.917 18.855 ( 9.174 26.290 2.278) 27.938 19.789 ( 1.733 0.916 -4.208) 4.642 21.360 ( -6.451 2.539 -1.022) 7.008 21.892 ( -2.226 17.765 -0.048) 17.903 24.308 ( 18.743 10.609 -6.312) 22.443 24.706 ( -18.818 5.794 8.352) 21.388 27.841 ( -2.080 3.925 -2.097) 4.912 29.344 ( 2.512 -19.521 1.940) 19.778 ======================= Grid point 821 (392/429) ======================= q-point: (-0.14 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( -0.290 32.081 2.661) 32.192 4.385 ( -3.791 21.919 5.312) 22.870 4.538 ( 0.588 22.905 -4.632) 23.376 4.579 ( -4.493 11.267 1.212) 12.190 5.323 ( 2.556 5.363 4.495) 7.450 5.447 ( -2.052 0.720 -6.150) 6.523 5.860 ( 1.680 12.709 1.546) 12.913 6.794 ( 1.222 2.799 -0.246) 3.064 6.854 ( -5.658 -0.244 1.209) 5.791 7.902 ( 7.784 15.942 5.692) 18.631 8.178 ( -1.782 2.036 -3.631) 4.528 8.368 ( -3.636 19.394 -3.172) 19.986 9.378 ( 8.730 28.919 7.151) 31.042 9.562 ( -2.458 17.171 -5.854) 18.307 9.742 ( -3.490 16.882 -1.410) 17.297 10.212 ( -0.078 18.929 -2.220) 19.059 10.456 ( -1.447 1.471 -0.600) 2.149 11.437 ( 5.666 14.711 -3.151) 16.076 11.783 ( -6.781 4.928 3.319) 9.016 12.614 ( 10.893 -32.215 -3.686) 34.206 12.945 ( -2.508 -7.168 8.591) 11.466 13.316 ( -1.858 -14.428 -0.984) 14.581 13.544 ( -1.329 0.255 0.623) 1.490 13.855 ( -3.334 -21.873 -5.773) 22.866 14.501 ( 1.165 1.028 0.193) 1.565 14.717 ( 3.346 3.338 -0.562) 4.759 14.934 ( -4.780 -11.555 1.120) 12.555 15.616 ( -0.406 2.621 2.673) 3.765 18.290 ( 5.206 38.842 1.941) 39.237 19.663 ( 0.539 13.190 -4.751) 14.030 21.276 ( -2.427 3.773 1.598) 4.762 21.454 ( -1.917 26.615 -1.557) 26.730 24.211 ( 20.915 10.176 -6.694) 24.204 24.467 ( -20.919 8.698 8.542) 24.212 27.770 ( -1.152 2.145 -1.158) 2.696 29.737 ( 1.993 -20.052 0.838) 20.168 ======================= Grid point 822 (393/429) ======================= q-point: (-0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 399 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 0.000 26.787 0.000) 26.787 3.560 ( -0.000 53.019 0.000) 53.019 4.242 ( -0.000 23.480 0.000) 23.480 4.363 ( 0.000 1.776 0.000) 1.776 5.216 ( -0.000 7.349 0.000) 7.349 5.484 ( 0.000 -4.593 0.000) 4.593 5.675 ( 0.000 5.925 0.000) 5.925 6.745 ( 0.000 2.114 -0.000) 2.114 6.781 ( -0.000 8.469 0.000) 8.469 7.714 ( -0.000 5.686 0.000) 5.686 7.992 ( 0.000 9.955 -0.000) 9.955 8.355 ( 0.000 -10.818 0.000) 10.818 8.821 ( -0.000 29.796 0.000) 29.796 9.243 ( 0.000 15.919 0.000) 15.919 9.493 ( -0.000 7.862 0.000) 7.862 9.867 ( 0.000 18.173 0.000) 18.173 10.406 ( 0.000 4.007 0.000) 4.007 11.195 ( -0.000 11.513 0.000) 11.513 11.652 ( 0.000 6.622 0.000) 6.622 13.059 ( 0.000 -7.166 0.000) 7.166 13.125 ( -0.000 -9.143 0.000) 9.143 13.551 ( -0.000 -10.922 0.000) 10.922 13.751 ( 0.000 -27.721 0.000) 27.721 14.183 ( 0.000 -13.347 0.000) 13.347 14.417 ( -0.000 3.990 0.000) 3.990 14.776 ( -0.000 -4.936 0.000) 4.936 15.224 ( -0.000 -21.131 0.000) 21.131 15.705 ( 0.000 -12.515 0.000) 12.515 17.471 ( -0.000 48.332 0.000) 48.332 19.247 ( -0.000 31.193 0.000) 31.193 20.893 ( -0.000 29.963 0.000) 29.963 21.207 ( -0.000 3.340 0.000) 3.340 24.149 ( -0.000 5.839 0.000) 5.839 24.191 ( 0.000 10.450 0.000) 10.450 27.741 ( -0.000 0.563 0.000) 0.563 30.105 ( 0.000 -17.486 0.000) 17.486 ======================= Grid point 826 (394/429) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 14.403 0.000 -4.607) 15.122 2.903 ( 44.095 0.000 -14.188) 46.322 3.483 ( 0.351 0.000 2.629) 2.653 4.662 ( 10.123 0.000 10.324) 14.459 5.077 ( 1.493 0.000 6.971) 7.129 5.460 ( -5.278 -0.000 -15.290) 16.176 5.731 ( 7.846 0.000 -17.227) 18.930 6.266 ( -5.999 -0.000 6.032) 8.507 6.741 ( 4.668 0.000 -6.144) 7.716 7.666 ( -1.596 -0.000 -2.940) 3.345 7.877 ( -1.360 -0.000 1.090) 1.743 7.933 ( -12.023 -0.000 -7.359) 14.096 8.786 ( -1.892 -0.000 1.483) 2.404 9.132 ( 0.904 0.000 3.417) 3.535 9.276 ( 4.467 0.000 24.853) 25.252 9.509 ( 9.678 0.000 -6.224) 11.506 10.234 ( -0.019 -0.000 -1.124) 1.124 10.803 ( -17.149 -0.000 9.353) 19.533 11.737 ( 17.690 0.000 -2.690) 17.894 12.646 ( -33.051 -0.000 -8.567) 34.143 13.183 ( -1.381 -0.000 6.094) 6.248 13.920 ( -16.918 -0.000 -2.085) 17.046 14.021 ( 4.880 0.000 2.285) 5.389 14.546 ( 2.695 0.000 8.038) 8.478 14.755 ( -0.447 -0.000 0.038) 0.449 15.035 ( 15.042 0.000 -11.805) 19.121 15.826 ( -6.712 -0.000 4.337) 7.992 16.257 ( 24.114 0.000 -10.693) 26.379 16.816 ( -0.090 -0.000 0.029) 0.095 17.882 ( 1.767 0.000 15.463) 15.564 20.185 ( 0.133 0.000 0.030) 0.136 21.136 ( 0.022 0.000 0.045) 0.050 23.455 ( -19.156 -0.000 -0.012) 19.156 24.560 ( 25.556 0.000 -12.538) 28.466 27.806 ( 4.062 0.000 4.436) 6.015 30.310 ( -14.059 -0.000 -0.080) 14.059 ======================= Grid point 827 (395/429) ======================= q-point: ( 0.21 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 17.452 -14.880 -9.396) 24.785 3.311 ( 32.749 -25.012 -7.620) 41.907 3.794 ( 6.176 -24.171 -4.888) 25.422 4.723 ( 9.364 1.092 13.636) 16.578 5.054 ( -3.553 3.540 7.593) 9.100 5.414 ( -3.318 -1.643 -16.488) 16.899 5.680 ( 10.995 3.570 -12.051) 16.699 6.470 ( -3.649 -17.337 2.977) 17.965 6.789 ( 6.540 -3.548 -7.980) 10.910 7.588 ( -4.881 4.465 -5.069) 8.334 7.895 ( -1.401 -5.932 -0.010) 6.095 8.007 ( -11.982 -12.001 -5.326) 17.776 8.693 ( 0.853 9.261 4.148) 10.184 9.105 ( 0.046 -6.287 14.592) 15.889 9.559 ( 8.199 -4.514 -3.644) 10.043 9.621 ( 4.705 -15.094 11.968) 19.829 10.328 ( 1.740 -8.670 -0.631) 8.866 10.755 ( -19.557 -4.806 10.138) 22.546 11.874 ( 18.231 -3.728 -3.302) 18.899 12.403 ( -32.069 2.968 -9.272) 33.514 13.166 ( -8.143 1.858 7.203) 11.029 13.800 ( -8.578 4.638 -4.917) 10.921 13.990 ( 3.298 2.764 3.935) 5.831 14.453 ( 4.681 13.732 4.364) 15.150 14.651 ( -0.291 7.253 6.969) 10.063 15.009 ( 10.210 8.540 -9.694) 16.467 15.847 ( 1.250 14.828 6.617) 16.285 16.236 ( 20.908 23.250 -23.270) 38.977 16.517 ( -3.583 -14.843 -0.347) 15.273 18.557 ( -5.786 -45.445 24.204) 51.813 20.434 ( 4.393 -23.602 -5.005) 24.524 21.187 ( 0.981 -5.488 2.422) 6.079 23.398 ( -16.598 -4.976 -0.108) 17.328 24.710 ( 23.952 -2.817 -12.123) 26.992 27.842 ( 5.049 -0.063 5.363) 7.366 30.131 ( -15.343 9.038 -1.688) 17.887 ======================= Grid point 828 (396/429) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 19.999 -22.206 -11.246) 31.930 4.105 ( 14.213 -38.708 -2.047) 41.286 4.214 ( 9.059 -15.324 -20.594) 27.221 4.795 ( 9.474 0.519 18.370) 20.676 4.988 ( -11.297 -2.328 3.785) 12.139 5.450 ( -4.780 -7.678 -10.519) 13.872 5.725 ( 13.907 -0.823 -0.681) 13.948 6.716 ( -0.344 -8.445 1.720) 8.626 6.956 ( 10.242 -11.220 -11.051) 18.786 7.456 ( -7.896 4.344 -8.742) 12.555 8.075 ( -1.795 -11.318 -1.118) 11.514 8.172 ( -6.901 -14.049 4.690) 16.340 8.663 ( -0.353 -8.154 3.008) 8.699 9.336 ( -2.200 -14.035 11.820) 18.481 9.714 ( 8.878 -8.789 -2.708) 12.783 9.967 ( 2.377 -16.368 11.078) 19.907 10.488 ( 0.819 -4.661 3.482) 5.876 10.844 ( -16.325 -15.358 6.765) 23.412 12.055 ( 16.938 -4.049 -9.154) 19.675 12.165 ( -25.966 0.901 -4.583) 26.382 12.957 ( -16.590 14.582 3.164) 22.313 13.694 ( 8.667 4.632 2.719) 10.196 14.029 ( -4.740 -2.577 -2.261) 5.850 14.170 ( 13.402 16.997 1.582) 21.703 14.500 ( -1.787 10.541 9.593) 14.364 14.843 ( 3.099 11.101 1.013) 11.570 15.376 ( 3.412 26.040 -4.388) 26.627 15.878 ( 15.641 20.166 -17.462) 30.923 17.107 ( -13.610 -41.958 -2.875) 44.204 19.284 ( -9.497 -29.047 22.365) 37.870 20.986 ( 9.834 -29.037 -12.410) 33.073 21.378 ( 3.228 -12.105 9.946) 15.996 23.446 ( -15.355 -9.868 0.957) 18.278 24.893 ( 21.145 -4.500 -10.296) 23.945 27.892 ( 5.969 -0.724 6.181) 8.624 29.815 ( -13.751 14.034 -4.169) 20.085 ======================= Grid point 829 (397/429) ======================= q-point: ( 0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.529 ( 18.205 -26.628 -10.816) 34.021 4.395 ( 5.831 -6.173 -22.342) 23.901 4.628 ( -3.765 -7.011 -2.348) 8.297 4.901 ( 7.101 -6.691 11.061) 14.750 5.149 ( -1.172 -18.595 0.351) 18.636 5.574 ( -11.005 -9.929 0.635) 14.836 5.819 ( 9.195 -0.186 7.028) 11.574 6.839 ( 2.511 -4.708 -0.044) 5.336 7.262 ( -12.316 -8.866 -12.446) 19.626 7.328 ( 18.728 -5.239 -4.549) 19.972 8.223 ( -4.839 -9.576 0.989) 10.775 8.601 ( 4.673 -28.252 7.082) 29.499 8.946 ( -5.380 -20.590 -1.993) 21.375 9.638 ( -2.486 -17.848 9.482) 20.363 9.968 ( 6.059 -12.718 -0.851) 14.113 10.315 ( 1.547 -16.287 10.219) 19.289 10.546 ( -4.037 -3.728 6.153) 8.249 11.111 ( -7.940 -17.026 2.351) 18.933 11.988 ( -15.265 0.150 -10.550) 18.556 12.232 ( 6.383 -2.203 -1.843) 6.999 12.520 ( -6.813 18.995 -3.487) 20.479 13.703 ( 7.243 9.156 -3.248) 12.118 13.735 ( 13.359 15.652 3.953) 20.954 14.168 ( 2.877 10.747 13.191) 17.256 14.406 ( -3.162 -11.127 -0.589) 11.582 14.607 ( -1.626 16.788 7.160) 18.323 14.998 ( -3.536 11.850 -8.085) 14.775 15.654 ( 7.704 6.406 -14.592) 17.700 17.788 ( -14.723 -38.194 -1.995) 40.982 19.620 ( -8.991 -10.373 12.131) 18.319 21.491 ( 11.864 -17.648 -11.648) 24.246 21.693 ( 3.719 -16.254 12.252) 20.692 23.593 ( -13.861 -14.286 2.235) 20.030 25.072 ( 17.288 -3.920 -7.815) 19.373 27.963 ( 6.438 -1.689 6.697) 9.442 29.451 ( -10.647 15.375 -5.977) 19.634 ======================= Grid point 830 (398/429) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( 13.914 -19.394 -14.287) 27.818 4.511 ( 3.431 -8.110 -14.274) 16.772 4.582 ( -5.837 1.192 -5.716) 8.256 5.116 ( 1.982 -9.755 15.320) 18.270 5.472 ( 3.465 -12.828 -4.475) 14.021 5.644 ( -7.810 -1.134 9.513) 12.360 5.867 ( -2.280 -3.279 0.727) 4.060 6.930 ( 2.033 -3.272 -0.050) 3.853 7.135 ( -12.663 1.733 -8.049) 15.104 7.765 ( 17.579 -14.544 1.589) 22.870 8.471 ( 1.260 -20.543 -1.188) 20.616 9.210 ( 1.359 -28.947 1.401) 29.013 9.324 ( -3.007 -24.016 1.716) 24.264 10.021 ( 0.657 -20.592 7.810) 22.033 10.224 ( 2.339 -11.167 1.170) 11.469 10.539 ( -0.140 -6.144 4.155) 7.418 10.698 ( -5.423 -12.662 6.145) 15.083 11.325 ( -5.120 -7.228 0.538) 8.874 11.861 ( -4.502 9.116 1.846) 10.334 12.068 ( -14.731 0.728 -17.528) 22.908 12.461 ( 14.396 -2.348 -1.358) 14.649 13.355 ( 13.180 20.145 -4.582) 24.505 13.761 ( 7.024 4.174 3.706) 8.972 13.912 ( 2.461 14.971 16.128) 22.142 14.241 ( -7.246 17.341 1.618) 18.864 14.665 ( -3.503 -7.203 2.036) 8.264 14.899 ( -4.463 -10.866 -7.668) 14.028 15.667 ( 2.283 -5.886 -9.763) 11.627 18.349 ( -13.073 -30.053 -0.676) 32.781 19.681 ( -6.544 -0.724 5.073) 8.312 21.734 ( 10.596 -3.804 -1.038) 11.306 22.024 ( 2.956 -13.431 2.138) 13.917 23.815 ( -10.835 -15.784 2.688) 19.333 25.197 ( 12.911 -0.963 -5.630) 14.118 28.052 ( 6.136 -2.349 6.698) 9.383 29.100 ( -7.460 14.819 -6.654) 17.875 ======================= Grid point 831 (399/429) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.262 ( -0.014 -2.271 -17.739) 17.884 4.542 ( -0.497 -3.902 -3.087) 5.001 4.787 ( 9.063 -13.132 -6.730) 17.317 5.344 ( -1.504 -10.918 14.996) 18.611 5.576 ( -1.028 4.978 15.131) 15.962 5.686 ( -0.288 -10.100 -8.038) 12.911 5.931 ( -4.620 -5.080 -2.886) 7.449 6.973 ( -2.055 -1.314 -1.564) 2.898 7.040 ( -9.487 0.204 -6.104) 11.283 7.991 ( 8.998 -2.729 7.013) 11.730 8.982 ( 8.094 -26.197 -0.678) 27.427 9.617 ( -2.841 -19.682 -8.384) 21.581 9.850 ( 0.712 -25.424 10.701) 27.594 10.329 ( 0.625 -7.171 9.023) 11.542 10.443 ( 3.807 -9.109 2.271) 10.130 10.701 ( -0.237 -13.713 -7.052) 15.422 10.842 ( -8.268 -5.764 5.007) 11.254 11.283 ( -2.774 7.010 -0.648) 7.566 11.729 ( -1.446 1.917 0.667) 2.492 12.057 ( -9.628 -6.545 -13.645) 17.937 12.614 ( 12.744 -5.822 -0.914) 14.041 13.103 ( 10.850 14.304 -1.083) 17.986 13.539 ( 2.660 16.704 4.263) 17.443 13.711 ( 2.592 18.099 7.917) 19.924 14.064 ( -8.585 -6.124 0.700) 10.569 14.641 ( -5.307 1.172 -0.428) 5.452 15.261 ( -0.256 -23.074 -2.516) 23.212 15.808 ( -0.366 -8.472 -5.280) 9.989 18.773 ( -10.026 -22.464 0.318) 24.602 19.631 ( -3.422 2.767 1.457) 4.636 21.790 ( 7.708 3.091 1.363) 8.416 22.223 ( 1.593 -6.460 -0.628) 6.683 24.048 ( -7.027 -13.494 2.197) 15.372 25.234 ( 8.524 2.682 -3.811) 9.715 28.146 ( 5.142 -2.807 6.264) 8.577 28.785 ( -5.037 13.229 -6.465) 15.562 ======================= Grid point 832 (400/429) ======================= q-point: ( 0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.243 ( -5.314 -2.703 -10.582) 12.146 4.648 ( 3.308 -5.833 -4.871) 8.288 4.951 ( 7.599 1.804 1.849) 8.026 5.543 ( -3.732 -3.370 2.869) 5.790 5.554 ( 0.728 -6.432 12.684) 14.240 5.862 ( 1.821 -9.224 -1.835) 9.579 5.970 ( -2.642 -1.379 -2.216) 3.715 6.944 ( -12.918 -1.565 -8.316) 15.443 6.994 ( 0.521 1.581 0.530) 1.747 8.078 ( 7.631 -0.722 8.024) 11.097 9.404 ( 3.706 -12.853 -2.683) 13.643 9.913 ( -1.229 -13.559 -3.860) 14.151 10.241 ( 1.685 -11.881 8.063) 14.457 10.420 ( 3.696 -0.864 3.949) 5.477 10.549 ( 0.917 -4.229 0.957) 4.432 10.896 ( -5.250 -4.018 0.568) 6.635 10.997 ( 1.929 -14.314 -3.564) 14.877 11.100 ( -5.226 8.644 -1.411) 10.199 11.717 ( -1.477 -1.552 0.472) 2.194 12.105 ( -3.544 -4.316 -7.926) 9.696 12.826 ( 8.724 -7.349 -1.015) 11.452 12.906 ( 6.832 9.805 -0.313) 11.955 13.188 ( -2.808 21.132 2.591) 21.474 13.475 ( 2.610 7.609 4.282) 9.113 14.205 ( -5.264 -10.459 0.816) 11.738 14.598 ( -4.471 0.763 -0.673) 4.585 15.669 ( 1.436 -19.054 -0.333) 19.111 15.913 ( -0.668 -2.762 -2.443) 3.747 19.094 ( -6.235 -16.889 0.775) 18.020 19.564 ( -0.162 3.029 -0.244) 3.043 21.732 ( 3.848 6.446 1.148) 7.594 22.302 ( 0.441 -1.854 -0.814) 2.073 24.241 ( -3.278 -9.748 1.226) 10.357 25.188 ( 4.197 5.361 -1.943) 7.080 28.239 ( 3.889 -2.426 5.616) 7.249 28.530 ( -3.604 8.997 -5.772) 11.280 ======================= Grid point 833 (401/429) ======================= q-point: (-0.36 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.299 ( -4.193 -7.964 -5.014) 10.303 4.738 ( 1.955 -0.813 -3.227) 3.859 4.880 ( 4.516 6.761 6.417) 10.358 5.519 ( -0.523 4.583 -1.148) 4.753 5.708 ( 1.713 -4.379 7.015) 8.445 5.934 ( -1.007 3.093 -2.668) 4.207 6.040 ( 2.098 -7.539 1.863) 8.045 6.878 ( -12.954 -1.333 -7.264) 14.911 6.968 ( 0.860 1.799 -0.054) 1.994 8.147 ( 7.280 -0.233 7.415) 10.394 9.474 ( -1.373 3.960 -7.256) 8.380 10.091 ( 0.831 -4.647 1.884) 5.083 10.332 ( 1.436 2.579 4.419) 5.314 10.436 ( 4.108 2.666 1.466) 5.112 10.638 ( 1.492 -1.051 -3.868) 4.277 10.804 ( 0.206 10.572 -1.058) 10.627 11.002 ( -9.456 -3.347 4.882) 11.156 11.240 ( 2.953 -9.543 -3.192) 10.488 11.799 ( 1.553 -7.384 -0.422) 7.557 12.136 ( -1.490 -1.466 -1.146) 2.384 12.718 ( -3.705 17.250 1.152) 17.681 12.734 ( -2.854 7.522 -2.114) 8.319 13.161 ( 9.753 -12.923 -1.193) 16.234 13.395 ( 1.678 4.450 2.961) 5.603 14.353 ( -2.106 -6.502 0.065) 6.835 14.535 ( -5.263 2.936 -0.137) 6.028 15.865 ( 0.619 6.459 -1.029) 6.569 15.971 ( 1.699 -9.987 1.007) 10.180 19.353 ( -2.265 -13.297 0.472) 13.497 19.514 ( 2.540 3.296 -0.473) 4.188 21.613 ( -0.211 6.973 0.295) 6.982 22.308 ( -0.357 0.901 -0.431) 1.060 24.385 ( 0.629 -6.298 -0.100) 6.330 25.082 ( -0.317 6.765 0.164) 6.774 28.211 ( 0.017 7.622 0.154) 7.624 28.488 ( -0.081 -7.064 -0.162) 7.066 ======================= Grid point 834 (402/429) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.466 ( -1.652 -11.570 -1.993) 11.856 4.621 ( -0.202 11.251 3.810) 11.880 4.859 ( 2.398 1.359 2.245) 3.555 5.345 ( -1.528 12.847 -0.021) 12.938 5.707 ( 7.426 7.953 -4.494) 11.773 5.876 ( -4.436 0.962 4.892) 6.673 6.159 ( 3.829 -2.618 0.725) 4.695 6.818 ( -10.797 -0.862 -4.455) 11.712 6.938 ( 0.078 1.511 -0.686) 1.661 8.189 ( 5.633 1.367 5.723) 8.145 9.267 ( 0.029 15.455 -6.595) 16.803 10.000 ( -3.403 16.348 1.710) 16.786 10.237 ( 4.898 8.985 4.842) 11.321 10.376 ( 2.180 4.837 -0.422) 5.322 10.517 ( 1.252 11.016 -6.276) 12.740 10.736 ( -3.396 -4.608 -2.444) 6.225 10.953 ( -3.510 7.503 4.819) 9.583 11.372 ( 2.162 -3.225 -1.283) 4.089 11.974 ( 9.807 -3.357 -2.811) 10.740 12.176 ( -7.964 -5.867 6.022) 11.581 12.395 ( -2.151 7.788 1.381) 8.197 12.700 ( -4.490 -4.002 -2.947) 6.697 13.301 ( 0.861 5.714 -0.373) 5.791 13.464 ( 5.524 -12.039 -0.681) 13.263 14.352 ( 1.085 6.067 -0.674) 6.200 14.509 ( -5.842 -5.068 0.651) 7.762 15.657 ( 0.729 15.093 0.113) 15.111 16.077 ( 2.077 0.635 1.301) 2.532 19.443 ( 4.515 6.806 -0.314) 8.173 19.576 ( 0.075 -10.485 0.161) 10.487 21.483 ( -3.061 5.444 -0.485) 6.264 22.261 ( -0.774 3.900 -0.076) 3.977 24.486 ( 5.396 -2.669 -1.906) 6.314 24.932 ( -5.437 7.638 2.469) 9.695 28.054 ( -1.085 7.484 -1.305) 7.674 28.697 ( 0.824 -13.660 1.370) 13.753 ======================= Grid point 835 (403/429) ======================= q-point: (-0.21 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.354 ( 0.027 17.930 0.698) 17.944 4.684 ( -1.123 -11.092 2.488) 11.423 4.810 ( 1.040 5.124 3.356) 6.213 5.041 ( -1.254 17.424 -1.529) 17.536 5.558 ( 3.865 8.577 -5.432) 10.863 5.800 ( -2.279 7.296 4.196) 8.720 6.177 ( 2.798 2.989 -0.758) 4.164 6.774 ( -6.057 -0.762 -0.766) 6.152 6.909 ( -0.675 1.507 -0.677) 1.784 8.184 ( 3.536 2.500 3.480) 5.556 8.878 ( 1.402 24.712 -3.818) 25.045 9.505 ( -4.121 31.117 0.461) 31.392 10.067 ( 4.727 12.845 3.691) 14.176 10.251 ( 0.479 14.364 0.055) 14.372 10.306 ( -0.461 6.199 -4.737) 7.815 10.704 ( -0.554 15.605 0.770) 15.634 10.806 ( -1.526 1.031 -1.957) 2.687 11.460 ( 0.788 -9.772 0.153) 9.805 11.947 ( 7.026 9.423 -1.695) 11.876 12.068 ( -8.618 5.514 2.373) 10.503 12.651 ( 2.933 -22.196 4.496) 22.836 12.808 ( -0.847 -8.864 0.593) 8.924 13.203 ( -3.298 1.311 -3.893) 5.268 13.629 ( 1.533 -2.240 -1.201) 2.968 14.293 ( 1.025 -1.667 -0.107) 1.960 14.597 ( -2.377 -6.510 0.107) 6.931 15.330 ( 0.562 19.241 0.647) 19.260 15.984 ( 1.175 9.730 1.031) 9.855 19.276 ( 3.787 14.371 0.527) 14.871 19.739 ( 0.711 -6.082 -0.785) 6.173 21.380 ( -2.970 3.325 -0.601) 4.499 22.137 ( -0.725 9.396 0.047) 9.424 24.535 ( 12.060 2.429 -4.574) 13.125 24.738 ( -12.121 8.178 5.180) 15.513 27.921 ( -0.844 5.791 -0.894) 5.920 29.002 ( 0.748 -17.635 0.912) 17.675 ======================= Grid point 836 (404/429) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 401 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.926 ( 0.000 27.320 0.000) 27.320 4.698 ( 0.000 16.954 0.000) 16.954 4.714 ( -0.000 5.952 -0.000) 5.952 4.815 ( 0.000 0.617 -0.000) 0.617 5.431 ( 0.000 5.557 0.000) 5.557 5.583 ( -0.000 13.559 0.000) 13.559 6.075 ( 0.000 8.564 0.000) 8.564 6.789 ( -0.000 -2.579 0.000) 2.579 6.864 ( 0.000 2.957 0.000) 2.957 8.164 ( 0.000 0.959 0.000) 0.959 8.373 ( -0.000 27.123 0.000) 27.123 8.873 ( 0.000 32.314 -0.000) 32.314 9.829 ( 0.000 14.381 0.000) 14.381 9.913 ( -0.000 21.553 -0.000) 21.553 10.083 ( 0.000 17.994 0.000) 17.994 10.494 ( -0.000 4.845 0.000) 4.845 10.583 ( 0.000 19.004 0.000) 19.004 11.728 ( -0.000 14.038 0.000) 14.038 11.762 ( 0.000 -11.507 -0.000) 11.507 12.070 ( -0.000 -15.423 0.000) 15.423 12.900 ( 0.000 -2.268 0.000) 2.268 13.045 ( 0.000 -13.916 0.000) 13.916 13.379 ( -0.000 -23.056 0.000) 23.056 13.598 ( -0.000 3.786 0.000) 3.786 14.406 ( -0.000 -7.860 0.000) 7.860 14.731 ( -0.000 -8.525 0.000) 8.525 14.971 ( 0.000 18.019 0.000) 18.019 15.771 ( 0.000 11.705 0.000) 11.705 18.916 ( 0.000 25.668 0.000) 25.668 19.790 ( -0.000 1.390 -0.000) 1.390 21.319 ( -0.000 2.333 0.000) 2.333 21.878 ( -0.000 18.134 0.000) 18.134 24.485 ( 0.000 11.248 0.000) 11.248 24.533 ( -0.000 4.998 0.000) 4.998 27.824 ( -0.000 4.050 0.000) 4.050 29.362 ( -0.000 -19.905 0.000) 19.905 ======================= Grid point 842 (405/429) ======================= q-point: ( 0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 18.445 0.000 -6.167) 19.449 3.380 ( 46.104 0.000 -19.607) 50.100 3.494 ( -0.679 -0.000 3.873) 3.932 4.767 ( 0.373 0.000 9.430) 9.438 5.144 ( -1.227 -0.000 18.641) 18.682 5.377 ( 5.922 0.000 -20.298) 21.145 5.790 ( 16.368 0.000 -23.289) 28.466 6.213 ( -6.898 -0.000 6.536) 9.503 6.776 ( 5.280 0.000 -6.792) 8.603 7.633 ( -1.896 -0.000 -3.428) 3.917 7.748 ( -13.367 -0.000 -9.710) 16.522 7.862 ( -1.870 -0.000 1.353) 2.308 8.788 ( -0.135 -0.000 5.061) 5.063 9.158 ( 1.086 0.000 4.171) 4.310 9.406 ( 0.759 0.000 25.163) 25.175 9.620 ( 13.096 0.000 -5.396) 14.164 10.228 ( -0.028 -0.000 -1.436) 1.436 10.619 ( -20.450 -0.000 11.189) 23.311 11.938 ( 16.438 0.000 -0.259) 16.440 12.218 ( -32.109 -0.000 -12.068) 34.302 13.146 ( -10.479 -0.000 8.451) 13.463 13.738 ( -9.097 -0.000 -6.308) 11.070 14.105 ( 6.227 0.000 4.303) 7.569 14.604 ( 2.019 0.000 7.014) 7.299 14.749 ( -0.558 -0.000 0.048) 0.560 15.142 ( 10.554 0.000 -10.884) 15.161 15.735 ( -11.184 -0.000 9.383) 14.598 16.545 ( 32.880 0.000 -21.922) 39.518 16.815 ( -0.113 -0.000 0.035) 0.119 17.954 ( -1.548 -0.000 21.385) 21.441 20.187 ( 0.165 0.000 0.037) 0.170 21.136 ( 0.027 0.000 0.057) 0.063 23.268 ( -12.453 -0.000 -0.916) 12.486 24.800 ( 23.351 0.000 -11.781) 26.155 27.884 ( 5.736 0.000 6.073) 8.354 30.114 ( -18.460 -0.000 -1.980) 18.565 ======================= Grid point 843 (406/429) ======================= q-point: ( 0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 22.138 -15.943 -9.735) 28.966 3.583 ( 13.658 -19.241 0.105) 23.596 3.894 ( 19.385 -20.456 -19.236) 34.121 4.805 ( -4.616 -3.295 13.276) 14.437 5.073 ( -1.026 8.696 15.272) 17.604 5.349 ( 4.204 1.410 -17.704) 18.251 5.808 ( 18.507 1.306 -11.174) 21.658 6.445 ( -1.212 -18.740 -0.118) 18.779 6.838 ( 6.918 -4.847 -8.265) 11.818 7.491 ( -7.922 6.251 -6.302) 11.898 7.810 ( -8.128 -10.605 -6.845) 15.013 7.939 ( -0.906 -8.703 2.943) 9.232 8.725 ( 1.682 7.798 5.047) 9.440 9.145 ( -2.243 -5.153 13.173) 14.322 9.631 ( 4.153 -8.559 2.663) 9.879 9.740 ( 8.815 -9.191 7.567) 14.813 10.349 ( 2.355 -10.892 -0.705) 11.166 10.552 ( -21.195 -4.388 11.401) 24.464 11.991 ( -30.041 -0.622 -3.560) 30.257 12.074 ( 15.557 -2.065 -9.994) 18.606 13.046 ( -15.997 5.003 7.977) 18.563 13.728 ( -0.931 -3.906 -5.787) 7.043 14.053 ( 5.469 8.049 2.836) 10.137 14.510 ( 0.885 11.266 8.169) 13.944 14.672 ( 0.138 5.951 5.000) 7.774 15.079 ( 7.643 9.845 -8.676) 15.186 15.852 ( -2.615 4.863 5.785) 7.997 16.427 ( 25.033 25.771 -25.720) 44.185 16.475 ( -2.995 -0.252 -0.842) 3.121 18.568 ( -8.186 -42.872 25.260) 50.429 20.470 ( 5.041 -26.178 -5.374) 27.195 21.206 ( 0.461 -7.517 2.962) 8.093 23.240 ( -10.434 -4.101 -0.474) 11.221 24.934 ( 21.470 -2.279 -10.153) 23.859 27.933 ( 6.448 -0.174 6.695) 9.297 29.922 ( -18.117 7.705 -3.800) 20.051 ======================= Grid point 844 (407/429) ======================= q-point: ( 0.36 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.192 ( 25.683 -20.517 -11.436) 34.804 4.175 ( -0.872 -26.214 5.647) 26.829 4.275 ( 15.084 -18.981 -31.427) 39.692 4.874 ( -10.627 -5.812 8.957) 15.064 4.957 ( 5.814 4.464 15.716) 17.341 5.354 ( -4.769 -4.800 -10.277) 12.304 5.907 ( 15.326 -0.270 3.566) 15.738 6.722 ( 1.499 -9.608 -2.331) 9.999 7.021 ( 7.180 -10.292 -12.489) 17.705 7.359 ( -1.680 1.139 -6.678) 6.980 7.971 ( -9.149 -12.432 -3.456) 15.817 8.208 ( 4.473 -18.069 6.136) 19.600 8.677 ( -0.019 -4.034 4.475) 6.025 9.338 ( -4.648 -13.396 10.399) 17.584 9.800 ( 7.336 -8.473 -2.482) 11.479 10.046 ( 3.570 -15.275 10.784) 19.036 10.468 ( -9.484 -2.626 9.601) 13.748 10.723 ( -5.040 -19.405 1.639) 20.116 11.827 ( -23.611 -1.835 -11.719) 26.423 12.211 ( 9.210 -3.611 -3.483) 10.488 12.794 ( -11.522 13.241 4.481) 18.115 13.821 ( 10.686 0.286 2.284) 10.931 13.964 ( -4.294 -0.651 -3.153) 5.367 14.300 ( 6.092 12.485 6.584) 15.373 14.524 ( 0.969 11.933 5.982) 13.383 14.875 ( 1.426 12.283 1.624) 12.472 15.405 ( 5.108 30.298 -4.731) 31.088 15.977 ( 11.895 24.620 -18.914) 33.247 16.951 ( -11.307 -39.689 -0.952) 41.280 19.242 ( -10.629 -27.503 18.900) 35.023 21.061 ( 10.629 -29.876 -12.445) 34.065 21.442 ( 0.752 -15.020 10.625) 18.413 23.300 ( -10.066 -8.845 0.526) 13.410 25.090 ( 18.187 -3.408 -7.706) 20.044 27.994 ( 6.960 -0.761 7.165) 10.018 29.625 ( -14.960 11.837 -5.827) 19.946 ======================= Grid point 845 (408/429) ======================= q-point: ( 0.43 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.737 ( 24.042 -22.802 -11.443) 35.055 4.377 ( 5.930 -6.281 -23.823) 25.341 4.557 ( -8.116 -1.558 5.029) 9.674 5.014 ( 4.060 -5.300 13.093) 14.697 5.141 ( 0.613 -22.360 -5.767) 23.100 5.421 ( -14.422 -9.376 -0.049) 17.202 5.952 ( 7.011 4.512 10.344) 13.286 6.851 ( -0.134 -5.027 -3.994) 6.422 7.068 ( -10.401 0.439 -8.028) 13.146 7.583 ( 24.716 -16.496 -4.465) 30.049 8.157 ( -5.128 -13.049 -1.562) 14.107 8.688 ( 5.666 -27.363 4.760) 28.345 8.894 ( -4.020 -18.113 2.118) 18.675 9.636 ( -3.312 -19.465 7.580) 21.149 10.025 ( 4.072 -11.239 -1.442) 12.040 10.377 ( 2.059 -15.403 9.280) 18.100 10.489 ( -8.870 -4.158 9.329) 13.528 11.067 ( -0.661 -16.839 0.101) 16.852 11.752 ( -16.582 -5.155 -12.946) 21.659 12.175 ( -11.413 9.793 -1.530) 15.116 12.576 ( 13.227 6.047 -0.094) 14.544 13.757 ( 3.796 11.377 -3.684) 12.546 13.903 ( 11.762 9.647 7.455) 16.940 14.239 ( 3.495 12.984 5.665) 14.591 14.369 ( -2.558 -11.003 -0.810) 11.326 14.630 ( -2.080 17.523 13.804) 22.404 14.912 ( -4.000 17.234 -11.445) 21.072 15.679 ( 5.530 8.114 -14.381) 17.414 17.630 ( -11.303 -37.766 -0.546) 39.425 19.555 ( -8.603 -10.381 9.212) 16.329 21.583 ( 11.539 -19.232 -12.834) 25.840 21.768 ( 0.654 -15.539 13.091) 20.328 23.463 ( -9.473 -14.285 1.549) 17.211 25.231 ( 13.833 -2.454 -5.399) 15.051 28.069 ( 6.893 -1.406 7.241) 10.096 29.299 ( -10.852 13.081 -6.864) 18.330 ======================= Grid point 846 (409/429) ======================= q-point: ( 0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.181 ( 15.861 -9.368 -18.287) 25.957 4.472 ( -6.631 -0.949 3.449) 7.534 4.552 ( 7.714 -12.050 -13.277) 19.519 5.167 ( -3.743 -8.360 15.767) 18.234 5.453 ( -3.096 -9.988 -9.623) 14.211 5.586 ( -5.390 -13.541 6.334) 15.891 5.879 ( 1.178 5.838 7.137) 9.296 6.880 ( -9.985 -1.990 -8.551) 13.296 7.011 ( -1.596 -0.395 -1.021) 1.935 7.976 ( 13.314 -7.845 5.505) 16.404 8.515 ( 8.993 -26.555 -3.841) 28.299 9.192 ( 0.271 -22.147 -10.112) 24.348 9.334 ( -2.690 -29.214 12.914) 32.054 10.054 ( 0.580 -22.683 5.722) 23.401 10.248 ( 0.681 -11.321 1.769) 11.478 10.548 ( -1.695 -4.171 3.980) 6.009 10.648 ( -4.946 -10.875 5.018) 12.958 11.292 ( -1.113 -5.882 0.138) 5.988 11.777 ( -10.172 -7.180 -8.761) 15.225 11.871 ( -8.131 9.499 -4.883) 13.423 12.631 ( 14.351 -0.646 -0.721) 14.383 13.487 ( 11.793 17.859 -3.800) 21.736 13.857 ( 6.554 7.619 2.824) 10.440 13.972 ( -1.387 10.672 9.640) 14.448 14.168 ( -6.065 23.865 6.369) 25.434 14.625 ( -4.478 -0.105 -1.165) 4.628 14.816 ( -4.110 -19.211 -5.204) 20.324 15.660 ( 2.337 -4.692 -8.445) 9.940 18.215 ( -9.368 -30.584 0.036) 31.986 19.627 ( -5.365 -1.566 3.545) 6.618 21.839 ( 8.150 -4.135 -2.209) 9.402 22.059 ( 1.510 -12.125 2.664) 12.506 23.718 ( -7.154 -16.755 1.816) 18.309 25.310 ( 9.319 0.506 -3.692) 10.037 28.150 ( 6.026 -1.691 6.731) 9.191 28.987 ( -7.187 12.961 -6.780) 16.297 ======================= Grid point 847 (410/429) ======================= q-point: ( 0.57 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.198 ( -0.935 2.461 -12.114) 12.397 4.536 ( 0.968 -6.432 -2.599) 7.004 4.896 ( 13.616 -13.358 -5.975) 19.988 5.337 ( -8.859 -10.303 11.651) 17.899 5.537 ( -5.866 -3.646 0.226) 6.910 5.750 ( 6.072 -2.390 10.240) 12.143 5.873 ( -2.511 -6.232 -4.968) 8.356 6.822 ( -12.233 -1.360 -8.918) 15.199 7.020 ( 1.011 0.200 0.731) 1.263 8.111 ( 6.176 -1.815 6.909) 9.443 9.085 ( 8.322 -23.560 -0.134) 24.987 9.577 ( 3.656 -20.294 -11.846) 23.781 9.875 ( -4.206 -26.552 11.189) 29.118 10.374 ( 0.435 -8.735 12.090) 14.922 10.501 ( 4.741 -6.502 1.130) 8.126 10.661 ( -1.333 -14.127 -9.108) 16.861 10.749 ( -9.259 -5.680 3.126) 11.303 11.263 ( -0.610 6.867 -0.314) 6.901 11.720 ( -0.728 2.391 0.667) 2.587 11.908 ( -7.665 -10.782 -10.113) 16.652 12.749 ( 10.141 -4.722 -0.477) 11.197 13.233 ( 11.799 17.000 -0.426) 20.698 13.578 ( 1.736 19.007 2.728) 19.280 13.727 ( -4.894 18.396 3.030) 19.276 13.995 ( -3.035 -7.022 3.507) 8.415 14.566 ( -6.343 -0.088 -1.461) 6.510 15.251 ( -0.064 -24.514 -1.375) 24.552 15.793 ( 0.509 -8.079 -3.819) 8.951 18.677 ( -6.464 -23.515 0.408) 24.391 19.601 ( -2.377 1.567 0.897) 2.985 21.868 ( 4.950 4.100 0.825) 6.480 22.236 ( 0.890 -5.810 -0.525) 5.902 23.989 ( -4.135 -14.619 1.333) 15.251 25.304 ( 5.373 4.014 -2.309) 7.093 28.228 ( 4.674 -2.095 5.887) 7.803 28.703 ( -4.649 12.115 -6.047) 14.316 ======================= Grid point 848 (411/429) ======================= q-point: ( 0.64 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.161 ( -2.955 -2.660 -5.983) 7.184 4.665 ( 1.927 -6.139 -2.538) 6.917 5.047 ( 7.281 4.004 0.592) 8.330 5.491 ( -5.156 -8.228 0.263) 9.714 5.595 ( -0.271 -5.254 6.854) 8.640 5.876 ( -1.877 -7.302 5.403) 9.276 5.962 ( 3.910 -2.962 -4.093) 6.388 6.767 ( -10.261 -1.525 -6.739) 12.370 7.009 ( 0.858 1.592 0.474) 1.870 8.182 ( 4.944 -1.163 5.676) 7.617 9.409 ( -0.679 -8.715 -2.905) 9.212 9.923 ( 4.524 -14.041 -2.933) 15.041 10.279 ( 0.651 -12.906 4.140) 13.569 10.480 ( 3.044 0.231 4.947) 5.814 10.576 ( 2.692 -5.188 2.772) 6.469 10.796 ( -9.714 -7.619 -1.470) 12.433 10.995 ( -0.037 -15.683 -4.367) 16.280 11.069 ( -0.299 12.113 0.095) 12.117 11.708 ( -0.511 -1.702 0.324) 1.806 12.041 ( -2.741 -7.358 -4.826) 9.216 12.880 ( 2.231 3.739 -0.090) 4.355 13.014 ( 9.824 4.109 -0.981) 10.694 13.165 ( -2.786 22.156 1.948) 22.416 13.508 ( 0.919 6.401 2.212) 6.835 14.155 ( -3.435 -10.721 0.999) 11.302 14.543 ( -3.810 0.042 -0.771) 3.888 15.682 ( 0.852 -20.090 -0.137) 20.108 15.903 ( 0.072 -2.844 -1.366) 3.156 19.040 ( -3.324 -18.207 0.454) 18.514 19.562 ( -0.098 1.660 -0.138) 1.669 21.770 ( 2.022 8.096 0.687) 8.372 22.303 ( 0.160 -1.500 -0.563) 1.610 24.216 ( -1.572 -10.950 0.621) 11.079 25.220 ( 2.165 6.743 -0.990) 7.151 28.307 ( 3.929 -1.534 5.898) 7.251 28.463 ( -3.789 8.156 -5.988) 10.804 ======================= Grid point 849 (412/429) ======================= q-point: (-0.29 0.21 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.251 ( -1.564 -8.827 -1.959) 9.176 4.747 ( 0.814 -0.367 -1.126) 1.437 4.938 ( 1.983 7.328 2.424) 7.969 5.505 ( -0.516 4.385 -1.135) 4.559 5.749 ( 0.942 -7.155 4.463) 8.485 5.904 ( -1.511 3.691 -1.681) 4.328 6.081 ( 2.609 -6.879 0.843) 7.405 6.738 ( -5.988 -1.466 -3.335) 7.009 6.976 ( 0.370 2.174 -0.022) 2.206 8.230 ( 2.941 -0.402 3.154) 4.331 9.431 ( -1.506 3.894 -3.249) 5.290 10.116 ( 1.523 -3.315 0.939) 3.767 10.354 ( 0.604 2.031 0.924) 2.311 10.487 ( 2.551 3.328 1.856) 4.586 10.644 ( 1.026 1.373 -1.811) 2.494 10.797 ( -0.352 12.779 -1.122) 12.833 10.924 ( -4.970 -7.991 2.194) 9.663 11.255 ( 1.014 -10.397 -1.100) 10.504 11.812 ( 0.737 -10.006 -0.174) 10.034 12.118 ( -0.685 -2.141 -0.507) 2.304 12.692 ( -1.200 20.806 0.504) 20.847 12.702 ( -1.337 8.083 -0.934) 8.246 13.245 ( 4.277 -12.918 -0.461) 13.616 13.418 ( 0.693 5.136 1.217) 5.323 14.332 ( -1.248 -8.734 0.222) 8.825 14.486 ( -2.294 4.428 -0.227) 4.992 15.868 ( 0.321 6.564 -0.386) 6.584 15.988 ( 0.688 -10.991 0.381) 11.020 19.336 ( -0.808 -14.511 0.172) 14.534 19.534 ( 0.930 2.016 -0.173) 2.227 21.612 ( -0.093 8.717 0.132) 8.718 22.304 ( -0.159 1.129 -0.193) 1.156 24.390 ( 0.281 -7.936 -0.045) 7.942 25.079 ( -0.143 8.519 0.074) 8.521 28.212 ( 0.008 9.566 0.069) 9.566 28.487 ( -0.036 -8.869 -0.073) 8.870 ======================= Grid point 850 (413/429) ======================= q-point: (-0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 399 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.451 ( -0.000 -12.347 0.000) 12.347 4.628 ( 0.000 11.433 0.000) 11.433 4.878 ( -0.000 1.769 0.000) 1.769 5.335 ( 0.000 13.006 0.000) 13.006 5.753 ( 0.000 10.089 0.000) 10.089 5.849 ( -0.000 -1.440 0.000) 1.440 6.188 ( 0.000 -2.762 0.000) 2.762 6.739 ( -0.000 -0.921 0.000) 0.921 6.938 ( -0.000 1.838 0.000) 1.838 8.234 ( 0.000 1.295 0.000) 1.295 9.252 ( -0.000 14.441 0.000) 14.441 9.983 ( 0.000 18.377 -0.000) 18.377 10.279 ( 0.000 6.986 0.000) 6.986 10.391 ( -0.000 6.010 0.000) 6.010 10.512 ( -0.000 11.939 0.000) 11.939 10.708 ( -0.000 -4.758 0.000) 4.758 10.940 ( -0.000 6.602 0.000) 6.602 11.382 ( -0.000 -3.192 0.000) 3.192 12.060 ( 0.000 -9.753 -0.000) 9.753 12.106 ( -0.000 2.712 0.000) 2.712 12.391 ( 0.000 4.246 0.000) 4.246 12.663 ( -0.000 -3.670 0.000) 3.670 13.306 ( -0.000 6.977 0.000) 6.977 13.498 ( -0.000 -11.351 0.000) 11.351 14.358 ( -0.000 6.846 0.000) 6.846 14.471 ( 0.000 -6.451 0.000) 6.451 15.662 ( 0.000 14.889 0.000) 14.889 16.092 ( -0.000 0.417 0.000) 0.417 19.470 ( -0.000 5.897 0.000) 5.897 19.577 ( 0.000 -10.978 -0.000) 10.978 21.463 ( -0.000 6.481 -0.000) 6.481 22.256 ( -0.000 4.042 0.000) 4.042 24.516 ( -0.000 -5.054 0.000) 5.054 24.902 ( -0.000 10.035 0.000) 10.035 28.046 ( -0.000 7.760 0.000) 7.760 28.704 ( -0.000 -13.904 0.000) 13.904 ======================= Grid point 858 (414/429) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 19.921 0.000 -7.103) 21.150 3.492 ( -2.735 -0.000 4.972) 5.675 3.785 ( 36.160 0.000 -26.490) 44.824 4.760 ( -8.278 -0.000 16.167) 18.163 5.140 ( -3.597 -0.000 2.326) 4.283 5.467 ( 13.052 0.000 -3.466) 13.505 5.960 ( 28.136 0.000 -23.843) 36.880 6.157 ( -6.507 -0.000 5.782) 8.704 6.812 ( 4.962 0.000 -6.187) 7.930 7.564 ( -11.678 -0.000 -8.950) 14.713 7.598 ( -1.842 -0.000 -3.204) 3.696 7.844 ( -2.045 -0.000 1.390) 2.472 8.816 ( 0.987 0.000 6.250) 6.328 9.187 ( 1.045 0.000 4.087) 4.219 9.470 ( -5.186 -0.000 21.001) 21.632 9.769 ( 15.239 0.000 -4.679) 15.941 10.223 ( -0.033 -0.000 -1.476) 1.477 10.428 ( -18.862 -0.000 13.600) 23.254 11.789 ( -31.640 -0.000 -6.964) 32.397 12.127 ( 14.081 0.000 -6.526) 15.519 13.014 ( -15.973 -0.000 9.657) 18.665 13.658 ( -1.404 -0.000 -6.836) 6.979 14.201 ( 7.323 0.000 4.145) 8.415 14.641 ( -0.031 -0.000 6.288) 6.288 14.743 ( -0.557 -0.000 0.048) 0.559 15.205 ( 7.492 0.000 -10.415) 12.830 15.657 ( -8.666 -0.000 11.164) 14.133 16.813 ( -0.114 -0.000 0.035) 0.119 16.822 ( 29.737 0.000 -28.357) 41.090 18.008 ( -3.799 -0.000 24.434) 24.727 20.189 ( 0.165 0.000 0.037) 0.169 21.137 ( 0.027 0.000 0.057) 0.063 23.153 ( -7.043 -0.000 -0.555) 7.065 25.018 ( 20.421 0.000 -8.924) 22.286 27.983 ( 6.805 0.000 6.978) 9.747 29.875 ( -19.731 -0.000 -4.265) 20.186 ======================= Grid point 859 (415/429) ======================= q-point: ( 0.36 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 23.231 -18.503 -9.931) 31.316 3.653 ( -1.672 -20.228 7.162) 21.523 4.048 ( 19.765 -11.346 -30.577) 38.136 4.766 ( -9.958 -2.453 18.278) 20.959 5.105 ( -0.198 3.018 4.589) 5.496 5.374 ( 6.634 9.948 -7.121) 13.917 6.010 ( 18.319 1.105 -2.773) 18.560 6.458 ( 7.094 -19.295 -7.217) 21.787 6.887 ( 6.767 -6.253 -7.915) 12.146 7.367 ( -8.743 5.564 -5.328) 11.652 7.713 ( -4.713 -8.775 -4.652) 10.994 7.950 ( 0.303 -11.771 3.103) 12.177 8.768 ( 2.545 7.699 4.640) 9.343 9.146 ( -5.523 -3.712 10.881) 12.754 9.672 ( -0.408 -12.018 6.485) 13.662 9.869 ( 10.090 -5.095 -0.283) 11.307 10.373 ( -15.274 -5.148 13.186) 20.825 10.378 ( 1.972 -11.614 0.976) 11.821 11.616 ( -27.446 -2.071 -9.709) 29.186 12.203 ( 7.957 -1.705 -4.938) 9.519 12.900 ( -12.294 4.866 8.506) 15.722 13.708 ( 0.317 -6.944 -5.614) 8.935 14.139 ( 7.330 10.464 1.888) 12.915 14.539 ( -1.601 9.442 10.845) 14.468 14.688 ( 0.186 4.676 1.690) 4.976 15.126 ( 5.894 10.342 -7.668) 14.160 15.847 ( -1.911 -5.415 5.942) 8.263 16.439 ( -1.940 13.142 -1.710) 13.394 16.601 ( 19.720 28.680 -23.753) 42.138 18.561 ( -7.828 -39.672 21.645) 45.866 20.508 ( 4.546 -28.954 -4.673) 29.679 21.219 ( -0.161 -8.813 2.772) 9.240 23.145 ( -5.837 -3.186 -0.114) 6.650 25.133 ( 17.792 -1.706 -6.854) 19.143 28.039 ( 7.037 -0.270 7.116) 10.011 29.691 ( -17.720 6.283 -5.501) 19.589 ======================= Grid point 860 (416/429) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.461 ( 26.852 -20.590 -11.226) 35.652 4.170 ( -2.061 -22.503 1.117) 22.625 4.293 ( 4.938 -17.948 -19.113) 26.680 4.792 ( -8.163 -4.974 4.948) 10.764 5.061 ( 2.282 2.989 13.825) 14.328 5.267 ( -3.533 0.555 -8.964) 9.652 6.080 ( 9.383 1.993 7.921) 12.440 6.737 ( 4.660 -7.528 -7.728) 11.752 7.007 ( -2.346 -1.397 -7.733) 8.201 7.401 ( 12.381 -13.802 -6.307) 19.585 7.872 ( -5.449 -12.480 -3.301) 14.012 8.280 ( 3.301 -20.388 5.904) 21.481 8.693 ( 0.067 -1.118 3.935) 4.091 9.304 ( -6.786 -13.733 7.647) 17.121 9.865 ( 5.018 -8.084 -1.415) 9.620 10.103 ( -0.679 -14.446 3.447) 14.867 10.393 ( -7.472 -4.084 17.588) 19.541 10.725 ( 3.204 -19.110 -1.613) 19.444 11.522 ( -20.433 -5.107 -11.946) 24.214 12.217 ( -5.533 1.988 -2.694) 6.467 12.761 ( 2.517 6.291 4.603) 8.191 13.883 ( -2.908 -9.450 -3.770) 10.582 13.969 ( 8.329 8.465 1.821) 12.014 14.373 ( 1.581 9.778 10.697) 14.578 14.556 ( 1.416 10.852 0.903) 10.981 14.891 ( 1.277 14.433 -0.626) 14.503 15.467 ( 7.031 34.531 -0.258) 35.240 16.001 ( 4.169 26.288 -18.107) 32.192 16.844 ( -6.675 -36.968 0.176) 37.566 19.187 ( -8.700 -26.082 13.272) 30.530 21.136 ( 9.374 -31.080 -10.753) 34.197 21.474 ( -1.566 -16.683 9.428) 19.226 23.210 ( -5.778 -7.659 0.481) 9.606 25.255 ( 13.728 -2.300 -4.674) 14.683 28.103 ( 6.867 -0.767 6.974) 9.817 29.433 ( -13.427 9.753 -6.361) 17.772 ======================= Grid point 861 (417/429) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.989 ( 25.195 -19.922 -11.315) 34.054 4.352 ( 4.446 -8.155 -22.132) 24.002 4.498 ( -7.356 2.418 14.112) 16.097 5.061 ( -9.572 -8.964 8.897) 15.847 5.115 ( 2.920 -21.669 -4.175) 22.260 5.274 ( -7.820 -6.005 -2.103) 10.081 6.050 ( 3.028 6.676 9.905) 12.323 6.793 ( -3.798 -0.530 -9.860) 10.580 6.983 ( -2.690 -1.315 0.065) 2.995 7.843 ( 19.676 -17.174 -1.477) 26.159 8.115 ( 0.953 -18.008 -4.559) 18.600 8.750 ( 2.661 -25.090 0.738) 25.241 8.862 ( -4.250 -17.176 5.794) 18.618 9.619 ( -3.237 -21.800 4.600) 22.514 10.049 ( 1.095 -9.735 -1.219) 9.872 10.357 ( -7.303 -13.223 2.315) 15.282 10.513 ( 4.025 -6.060 14.723) 16.422 11.077 ( 1.567 -15.826 -1.414) 15.966 11.521 ( -13.479 -7.670 -12.696) 20.043 12.036 ( -10.653 10.090 0.446) 14.680 12.737 ( 12.435 2.506 0.443) 12.693 13.762 ( -0.671 8.803 -2.240) 9.108 14.065 ( 10.550 6.693 8.313) 15.007 14.290 ( 3.282 16.393 -0.806) 16.738 14.342 ( -1.584 -8.909 -0.925) 9.096 14.639 ( -5.508 11.798 12.174) 17.826 14.844 ( -0.155 28.407 -8.383) 29.618 15.675 ( 2.326 7.519 -11.228) 13.712 17.522 ( -6.833 -37.135 0.137) 37.759 19.496 ( -6.042 -10.593 5.668) 13.448 21.661 ( 9.603 -19.459 -11.926) 24.761 21.806 ( -2.133 -16.048 11.850) 20.062 23.382 ( -5.392 -13.936 0.989) 14.976 25.350 ( 9.066 -1.155 -2.997) 9.618 28.172 ( 5.945 -1.135 6.242) 8.694 29.157 ( -8.775 11.145 -6.126) 15.451 ======================= Grid point 862 (418/429) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.271 ( 10.309 3.803 -17.166) 20.381 4.418 ( -5.578 -3.958 7.677) 10.282 4.640 ( 13.285 -19.645 -8.401) 25.160 5.126 ( -11.829 -6.967 10.435) 17.244 5.375 ( -4.593 -7.925 0.631) 9.182 5.564 ( 0.356 -19.957 -4.410) 20.442 5.928 ( 1.364 8.369 8.073) 11.707 6.735 ( -7.322 0.296 -7.461) 10.457 7.013 ( 0.472 -1.515 0.584) 1.691 8.093 ( 4.123 -4.877 3.941) 7.504 8.642 ( 12.251 -28.720 -1.782) 31.275 9.174 ( 6.008 -21.956 -15.267) 27.409 9.317 ( -10.011 -28.729 15.718) 34.243 10.076 ( 0.261 -24.415 2.932) 24.591 10.256 ( -0.171 -12.988 1.690) 13.099 10.517 ( -4.005 -7.132 0.902) 8.229 10.650 ( 1.013 -2.735 5.057) 5.838 11.288 ( -0.054 -4.981 -0.138) 4.983 11.614 ( -8.321 -11.675 -9.828) 17.382 11.810 ( -3.244 7.755 0.934) 8.458 12.773 ( 9.274 0.716 -0.170) 9.303 13.598 ( 8.953 10.901 -2.343) 14.300 13.898 ( -3.209 12.144 0.762) 12.584 13.964 ( -0.109 18.349 2.286) 18.491 14.178 ( 1.435 21.019 10.336) 23.467 14.542 ( -6.686 3.451 -5.361) 9.239 14.780 ( -0.640 -23.380 -0.941) 23.407 15.656 ( 1.265 -4.601 -4.962) 6.884 18.132 ( -4.833 -30.772 0.198) 31.150 19.587 ( -2.997 -2.244 1.808) 4.157 21.906 ( 4.576 -4.183 -1.969) 6.505 22.079 ( 0.377 -11.518 2.058) 11.706 23.661 ( -3.527 -17.296 0.934) 17.677 25.384 ( 4.911 1.570 -1.791) 5.458 28.235 ( 4.228 -1.225 4.776) 6.495 28.891 ( -4.911 11.640 -4.835) 13.527 ======================= Grid point 863 (419/429) ======================= q-point: ( 0.64 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.158 ( -0.446 4.436 -4.181) 6.112 4.539 ( 0.527 -7.317 -1.097) 7.417 5.053 ( 16.515 -11.858 -6.025) 21.205 5.222 ( -15.654 -10.884 7.048) 20.327 5.498 ( -1.601 -6.518 1.208) 6.820 5.828 ( -0.129 2.012 3.305) 3.871 5.849 ( 2.245 -10.022 -0.655) 10.291 6.688 ( -5.123 -0.620 -4.134) 6.612 7.031 ( 0.412 0.117 0.318) 0.533 8.179 ( 2.120 -2.319 2.745) 4.172 9.147 ( 2.004 -18.848 0.517) 18.961 9.621 ( 8.635 -20.505 -9.208) 24.079 9.834 ( -7.504 -29.870 7.985) 31.817 10.425 ( 0.945 -12.073 7.628) 14.312 10.552 ( 2.220 -0.257 0.580) 2.309 10.618 ( 1.158 -16.647 -7.189) 18.170 10.665 ( -6.340 -4.855 1.902) 8.208 11.260 ( 0.007 6.817 -0.116) 6.818 11.716 ( -0.231 2.279 0.361) 2.319 11.815 ( -3.058 -13.216 -3.904) 14.116 12.833 ( 3.886 -3.589 -0.134) 5.292 13.365 ( 9.258 21.024 0.035) 22.973 13.591 ( -1.707 21.641 1.004) 21.731 13.644 ( -6.043 7.648 0.004) 9.747 14.007 ( 0.968 -0.536 2.506) 2.740 14.500 ( -3.168 -1.524 -1.026) 3.663 15.248 ( 0.030 -25.124 -0.398) 25.127 15.788 ( 0.300 -7.993 -1.395) 8.120 18.627 ( -2.223 -24.014 0.178) 24.117 19.584 ( -0.850 0.883 0.301) 1.262 21.910 ( 1.701 4.604 0.273) 4.916 22.241 ( 0.277 -5.468 -0.206) 5.479 23.961 ( -1.357 -15.191 0.448) 15.258 25.341 ( 1.838 4.741 -0.769) 5.142 28.289 ( 2.216 -1.961 2.843) 4.103 28.642 ( -2.216 11.750 -2.904) 12.305 ======================= Grid point 864 (420/429) ======================= q-point: ( 0.71 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 401 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.132 ( 0.000 -2.606 -0.000) 2.606 4.672 ( -0.000 -6.244 0.000) 6.244 5.098 ( -0.000 6.475 0.000) 6.475 5.453 ( -0.000 -11.186 0.000) 11.186 5.606 ( -0.000 -5.992 -0.000) 5.992 5.871 ( -0.000 -5.128 0.000) 5.128 5.989 ( -0.000 -4.475 0.000) 4.475 6.688 ( -0.000 -1.410 0.000) 1.410 7.015 ( -0.000 1.624 0.000) 1.624 8.223 ( -0.000 -1.450 0.000) 1.450 9.394 ( -0.000 -7.205 0.000) 7.205 9.954 ( -0.000 -13.308 0.000) 13.308 10.289 ( -0.000 -14.165 -0.000) 14.165 10.510 ( -0.000 0.547 0.000) 0.547 10.617 ( -0.000 -5.645 0.000) 5.645 10.712 ( 0.000 -7.701 0.000) 7.701 10.982 ( -0.000 -13.886 0.000) 13.886 11.070 ( -0.000 10.168 0.000) 10.168 11.706 ( -0.000 -1.727 0.000) 1.727 12.014 ( -0.000 -8.456 0.000) 8.456 12.892 ( -0.000 6.441 0.000) 6.441 13.086 ( -0.000 1.289 0.000) 1.289 13.141 ( 0.000 24.796 0.000) 24.796 13.516 ( -0.000 5.363 0.000) 5.363 14.137 ( 0.000 -10.371 0.000) 10.371 14.517 ( -0.000 -0.341 0.000) 0.341 15.687 ( -0.000 -20.460 0.000) 20.460 15.901 ( -0.000 -2.875 0.000) 2.875 19.021 ( -0.000 -18.652 0.000) 18.652 19.561 ( -0.000 1.171 0.000) 1.171 21.783 ( -0.000 8.658 -0.000) 8.658 22.302 ( -0.000 -1.374 0.000) 1.374 24.208 ( -0.000 -11.353 0.000) 11.353 25.230 ( -0.000 7.217 0.000) 7.217 28.358 ( -0.000 -4.701 0.000) 4.701 28.413 ( -0.000 11.340 0.000) 11.340 ======================= Grid point 874 (421/429) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 427 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 18.807 0.000 -7.300) 20.174 3.465 ( -5.377 -0.000 5.696) 7.833 4.004 ( 19.389 0.000 -28.883) 34.787 4.727 ( -8.121 -0.000 20.309) 21.872 5.118 ( 0.901 0.000 -4.883) 4.966 5.590 ( 7.224 0.000 2.591) 7.674 6.107 ( -5.035 -0.000 4.227) 6.574 6.261 ( 36.265 0.000 -19.565) 41.206 6.843 ( 3.877 0.000 -4.677) 6.075 7.409 ( -10.706 -0.000 -5.154) 11.882 7.567 ( -1.472 -0.000 -2.423) 2.835 7.827 ( -1.761 -0.000 1.160) 2.109 8.851 ( 1.008 0.000 5.776) 5.864 9.212 ( 0.810 0.000 3.228) 3.328 9.437 ( -11.416 -0.000 14.432) 18.401 9.928 ( 15.501 0.000 -8.957) 17.903 10.217 ( -0.030 -0.000 -1.215) 1.216 10.311 ( -10.912 -0.000 19.866) 22.665 11.414 ( -26.680 -0.000 -9.431) 28.298 12.216 ( 4.042 0.000 -4.971) 6.407 12.893 ( -9.461 -0.000 9.486) 13.397 13.630 ( 0.151 0.000 -5.753) 5.755 14.302 ( 7.246 0.000 3.250) 7.942 14.652 ( -1.661 -0.000 5.144) 5.405 14.737 ( -0.447 -0.000 0.039) 0.448 15.245 ( 5.814 0.000 -9.002) 10.716 15.613 ( -5.885 -0.000 10.131) 11.716 16.812 ( -0.092 -0.000 0.028) 0.096 17.016 ( 21.058 0.000 -26.902) 34.164 18.053 ( -3.439 -0.000 21.893) 22.162 20.191 ( 0.132 0.000 0.030) 0.135 21.137 ( 0.022 0.000 0.046) 0.051 23.091 ( -3.685 -0.000 -0.071) 3.686 25.205 ( 15.719 0.000 -5.345) 16.603 28.090 ( 6.797 0.000 6.721) 9.559 29.636 ( -17.262 -0.000 -5.464) 18.106 ======================= Grid point 875 (422/429) ======================= q-point: ( 0.43 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( 21.544 -21.801 -10.033) 32.250 3.626 ( -7.814 -20.923 9.244) 24.172 4.104 ( 8.749 -5.961 -25.439) 27.554 4.734 ( -6.015 -0.906 14.588) 15.805 5.114 ( 0.848 0.402 -1.110) 1.454 5.421 ( 3.379 14.489 -0.818) 14.900 6.152 ( 4.131 -1.724 5.343) 6.970 6.589 ( 20.834 -11.907 -12.067) 26.860 6.935 ( 6.358 -6.521 -7.474) 11.782 7.259 ( -7.363 0.761 -1.738) 7.603 7.656 ( -2.939 -7.308 -2.610) 8.298 7.962 ( -0.324 -14.390 2.777) 14.659 8.820 ( 3.915 8.317 3.078) 9.694 9.094 ( -9.308 -2.481 7.794) 12.391 9.672 ( -3.030 -16.676 5.412) 17.792 9.948 ( 5.285 0.316 -7.220) 8.953 10.325 ( -2.626 -3.474 19.362) 19.846 10.409 ( 2.828 -15.251 -0.847) 15.534 11.287 ( -21.731 -3.890 -10.073) 24.266 12.211 ( -2.763 0.793 -3.593) 4.601 12.848 ( -2.049 2.140 7.007) 7.608 13.688 ( -0.323 -6.994 -4.478) 8.311 14.226 ( 6.152 11.296 0.838) 12.890 14.563 ( -1.112 7.468 10.965) 13.313 14.684 ( -0.826 4.314 -1.736) 4.722 15.161 ( 4.260 10.504 -5.590) 12.638 15.850 ( -1.298 -14.075 5.244) 15.076 16.417 ( -0.770 23.757 -1.350) 23.808 16.706 ( 11.728 30.476 -17.520) 37.058 18.552 ( -5.211 -36.575 14.462) 39.674 20.539 ( 3.113 -31.274 -3.159) 31.587 21.224 ( -0.403 -9.280 1.930) 9.487 23.095 ( -2.922 -2.572 0.129) 3.895 25.290 ( 12.038 -1.153 -3.586) 12.614 28.143 ( 6.131 -0.343 6.004) 8.588 29.483 ( -13.600 5.105 -5.399) 15.498 ======================= Grid point 876 (423/429) ======================= q-point: ( 0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.714 ( 21.760 -21.465 -9.388) 31.974 4.130 ( -4.495 -20.984 -2.175) 21.570 4.274 ( -0.416 -22.196 -2.149) 22.303 4.716 ( -5.891 0.504 -0.450) 5.930 5.117 ( -0.149 0.283 9.706) 9.711 5.211 ( -0.838 6.197 -6.850) 9.275 6.174 ( 2.227 2.862 6.550) 7.487 6.778 ( 7.574 -1.308 -8.793) 11.679 6.937 ( -6.181 0.466 -0.467) 6.216 7.553 ( 14.998 -23.381 -5.228) 28.266 7.813 ( -3.193 -12.217 -2.499) 12.872 8.318 ( -0.305 -21.505 4.788) 22.033 8.707 ( 0.380 1.441 2.153) 2.618 9.248 ( -5.812 -15.235 4.037) 16.798 9.910 ( 3.495 -6.556 -0.369) 7.438 10.052 ( -6.242 -13.868 -0.642) 15.222 10.453 ( 3.805 -5.871 16.644) 18.055 10.754 ( 2.444 -18.179 -3.107) 18.604 11.275 ( -13.698 -7.770 -9.366) 18.323 12.120 ( -7.465 5.184 -0.987) 9.142 12.833 ( 5.245 1.442 2.745) 6.093 13.830 ( -2.838 -5.321 -2.746) 6.626 14.061 ( 5.362 4.163 0.939) 6.853 14.432 ( 1.970 9.119 10.467) 14.021 14.551 ( -1.443 9.008 -3.267) 9.690 14.904 ( 1.495 16.706 -1.627) 16.852 15.558 ( 6.550 38.424 3.931) 39.176 15.950 ( -1.719 23.954 -13.246) 27.426 16.793 ( -2.483 -33.697 0.178) 33.789 19.145 ( -4.774 -25.030 6.787) 26.370 21.193 ( 5.863 -32.452 -6.757) 33.662 21.481 ( -2.009 -17.013 6.002) 18.152 23.164 ( -2.593 -6.838 0.325) 7.321 25.368 ( 7.470 -1.416 -2.070) 7.880 28.196 ( 4.755 -0.761 4.732) 6.752 29.279 ( -8.447 8.267 -4.561) 12.669 ======================= Grid point 877 (424/429) ======================= q-point: ( 0.57 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.206 ( 15.523 -17.034 -5.107) 23.605 4.309 ( -1.251 -13.117 -11.723) 17.637 4.501 ( -1.157 8.670 11.295) 14.286 4.917 ( -10.568 -19.984 -1.368) 22.648 5.150 ( 0.604 -11.835 4.520) 12.683 5.223 ( -0.496 -6.254 -3.752) 7.311 6.097 ( 0.541 6.924 4.229) 8.131 6.731 ( -1.401 3.342 -4.605) 5.860 6.969 ( -0.625 -3.352 0.673) 3.476 7.976 ( 3.307 -10.341 1.083) 10.911 8.162 ( 7.245 -27.561 -4.026) 28.781 8.759 ( -0.174 -24.260 -1.201) 24.290 8.838 ( -2.763 -15.519 4.334) 16.348 9.602 ( -1.345 -23.653 1.449) 23.736 10.049 ( -0.131 -8.751 -0.389) 8.760 10.298 ( -2.947 -13.233 0.828) 13.583 10.614 ( 3.731 -4.962 7.525) 9.755 11.074 ( -0.656 -15.418 -2.180) 15.585 11.373 ( -4.819 -9.136 -5.376) 11.644 11.947 ( -4.271 8.434 0.422) 9.463 12.845 ( 5.016 1.467 0.313) 5.235 13.741 ( -1.138 6.874 -0.785) 7.012 14.206 ( 7.981 5.289 7.663) 12.264 14.294 ( -1.767 9.539 -6.168) 11.496 14.324 ( -0.848 -0.693 0.733) 1.318 14.606 ( -3.282 11.883 2.698) 12.620 14.838 ( 0.836 34.326 -1.014) 34.351 15.659 ( 0.433 6.137 -4.411) 7.570 17.470 ( -2.249 -36.631 0.130) 36.701 19.461 ( -2.158 -10.745 1.907) 11.124 21.712 ( 4.539 -19.077 -6.190) 20.563 21.813 ( -2.054 -16.881 6.105) 18.068 23.343 ( -1.737 -13.644 0.349) 13.758 25.415 ( 3.170 -0.372 -0.938) 3.326 28.242 ( 2.561 -0.976 2.670) 3.826 29.063 ( -3.588 10.044 -2.657) 10.991 ======================= Grid point 878 (425/429) ======================= q-point: ( 0.64 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 399 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.297 ( 0.000 10.019 -0.000) 10.019 4.401 ( -0.000 -7.201 0.000) 7.201 4.731 ( 0.000 -23.175 0.000) 23.175 5.043 ( -0.000 -5.459 0.000) 5.459 5.354 ( 0.000 -7.761 -0.000) 7.761 5.557 ( -0.000 -20.460 0.000) 20.460 5.954 ( -0.000 8.142 0.000) 8.142 6.675 ( -0.000 1.274 0.000) 1.274 7.017 ( -0.000 -1.713 0.000) 1.713 8.122 ( -0.000 -4.961 0.000) 4.961 8.721 ( 0.000 -27.144 0.000) 27.144 9.223 ( 0.000 -24.173 -0.000) 24.173 9.239 ( -0.000 -27.310 0.000) 27.310 10.082 ( -0.000 -25.122 0.000) 25.122 10.258 ( -0.000 -14.065 0.000) 14.065 10.492 ( -0.000 -7.693 0.000) 7.693 10.672 ( -0.000 0.765 0.000) 0.765 11.286 ( -0.000 -5.282 0.000) 5.282 11.543 ( -0.000 -12.242 0.000) 12.242 11.792 ( -0.000 6.082 0.000) 6.082 12.829 ( -0.000 1.273 0.000) 1.273 13.656 ( -0.000 1.754 0.000) 1.754 13.857 ( 0.000 24.372 0.000) 24.372 13.976 ( -0.000 19.243 0.000) 19.243 14.222 ( 0.000 19.197 0.000) 19.197 14.478 ( -0.000 1.512 0.000) 1.512 14.777 ( -0.000 -22.938 -0.000) 22.938 15.654 ( -0.000 -4.731 0.000) 4.731 18.104 ( -0.000 -30.806 0.000) 30.806 19.573 ( -0.000 -2.497 0.000) 2.497 21.929 ( 0.000 -4.113 -0.000) 4.113 22.085 ( -0.000 -11.411 0.000) 11.411 23.642 ( -0.000 -17.468 0.000) 17.468 25.410 ( -0.000 1.962 0.000) 1.962 28.271 ( -0.000 -1.085 0.000) 1.085 28.850 ( -0.000 11.190 0.000) 11.190 ======================= Grid point 890 (426/429) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 14.036 0.000 -6.013) 15.270 3.412 ( -6.702 -0.000 5.160) 8.459 4.055 ( 6.247 0.000 -17.629) 18.703 4.724 ( -3.373 -0.000 11.920) 12.388 5.119 ( 1.679 0.000 -3.835) 4.186 5.652 ( 2.070 0.000 2.614) 3.334 6.074 ( -2.743 -0.000 2.214) 3.525 6.624 ( 34.493 0.000 -13.460) 37.026 6.865 ( 2.144 0.000 -2.519) 3.308 7.256 ( -14.648 -0.000 0.401) 14.654 7.547 ( -0.827 -0.000 -1.289) 1.531 7.813 ( -1.023 -0.000 0.666) 1.221 8.877 ( 0.099 0.000 3.902) 3.903 9.229 ( 0.440 0.000 1.776) 1.829 9.341 ( -9.857 -0.000 6.356) 11.728 10.041 ( 9.076 0.000 -9.686) 13.274 10.213 ( -0.018 -0.000 -0.687) 0.688 10.329 ( -0.013 -0.000 20.172) 20.172 11.109 ( -18.330 -0.000 -8.843) 20.352 12.199 ( -2.640 -0.000 -2.882) 3.908 12.865 ( -1.489 -0.000 5.963) 6.146 13.614 ( 0.036 0.000 -3.503) 3.503 14.385 ( 4.779 0.000 1.741) 5.086 14.646 ( -1.728 -0.000 3.046) 3.501 14.733 ( -0.248 -0.000 0.022) 0.249 15.274 ( 3.719 0.000 -5.564) 6.693 15.590 ( -3.389 -0.000 6.258) 7.117 16.812 ( -0.051 -0.000 0.015) 0.053 17.117 ( 10.463 0.000 -16.201) 19.286 18.090 ( -1.677 -0.000 12.792) 12.901 20.192 ( 0.073 0.000 0.017) 0.075 21.137 ( 0.012 0.000 0.025) 0.028 23.061 ( -1.622 -0.000 0.079) 1.624 25.336 ( 8.676 0.000 -2.304) 8.976 28.182 ( 4.731 0.000 4.510) 6.536 29.449 ( -10.568 -0.000 -4.140) 11.351 ======================= Grid point 891 (427/429) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 784 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.376 ( 16.310 -26.737 -9.075) 32.607 3.544 ( -11.448 -18.603 8.994) 23.622 4.093 ( 1.873 -4.061 -9.309) 10.327 4.727 ( -1.669 0.372 4.851) 5.143 5.118 ( 0.520 0.157 -0.866) 1.022 5.444 ( 0.803 15.767 0.247) 15.790 6.179 ( -0.352 -4.976 2.460) 5.562 6.771 ( 11.373 -2.293 -4.182) 12.332 6.979 ( 4.880 3.287 -5.460) 8.027 7.184 ( -4.833 -15.212 1.295) 16.014 7.623 ( -1.436 -6.556 -0.789) 6.757 7.963 ( -0.650 -15.290 1.317) 15.361 8.884 ( 5.271 11.532 0.565) 12.692 9.003 ( -8.382 -4.939 3.391) 10.303 9.655 ( -1.505 -19.564 1.784) 19.703 9.959 ( 1.053 4.417 -3.200) 5.555 10.406 ( 2.724 -3.817 11.737) 12.639 10.432 ( 1.828 -16.286 -2.276) 16.545 11.058 ( -10.140 -5.253 -5.817) 12.816 12.158 ( -2.814 2.394 -1.190) 3.882 12.868 ( 0.762 0.205 2.649) 2.764 13.671 ( -0.289 -6.467 -1.800) 6.719 14.279 ( 2.312 11.727 0.169) 11.954 14.594 ( 0.185 4.918 6.853) 8.438 14.661 ( -0.981 5.471 -3.411) 6.521 15.181 ( 1.625 10.567 -2.077) 10.891 15.854 ( -0.538 -19.237 2.156) 19.365 16.409 ( -0.117 29.833 -0.480) 29.837 16.750 ( 3.776 31.106 -6.517) 32.005 18.548 ( -1.766 -34.617 5.062) 35.030 20.556 ( 1.103 -32.594 -1.116) 32.632 21.225 ( -0.196 -9.322 0.688) 9.349 23.074 ( -0.897 -2.298 0.081) 2.469 25.379 ( 4.285 -0.799 -1.060) 4.485 28.214 ( 2.636 -0.387 2.513) 3.662 29.352 ( -5.315 4.447 -2.393) 7.332 ======================= Grid point 892 (428/429) ======================= q-point: ( 0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 401 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.846 ( -0.000 -21.256 0.000) 21.256 4.080 ( -0.000 -21.468 0.000) 21.468 4.270 ( -0.000 -26.540 0.000) 26.540 4.674 ( -0.000 5.821 0.000) 5.821 5.134 ( -0.000 -2.381 -0.000) 2.381 5.194 ( -0.000 9.585 0.000) 9.585 6.196 ( -0.000 2.713 0.000) 2.713 6.826 ( 0.000 7.219 -0.000) 7.219 6.881 ( -0.000 -5.330 0.000) 5.330 7.651 ( 0.000 -27.625 0.000) 27.625 7.781 ( -0.000 -10.807 0.000) 10.807 8.321 ( -0.000 -21.516 0.000) 21.516 8.714 ( -0.000 2.669 0.000) 2.669 9.218 ( -0.000 -16.316 0.000) 16.316 9.938 ( 0.000 -2.676 0.000) 2.676 10.002 ( -0.000 -17.017 0.000) 17.017 10.526 ( -0.000 -6.081 0.000) 6.081 10.756 ( -0.000 -17.219 0.000) 17.219 11.169 ( -0.000 -9.572 -0.000) 9.572 12.070 ( -0.000 5.777 0.000) 5.777 12.873 ( -0.000 0.137 0.000) 0.137 13.807 ( -0.000 -4.431 0.000) 4.431 14.095 ( -0.000 3.293 0.000) 3.293 14.484 ( -0.000 8.563 0.000) 8.563 14.515 ( -0.000 8.935 -0.000) 8.935 14.910 ( -0.000 17.452 0.000) 17.452 15.615 ( -0.000 41.726 -0.000) 41.726 15.903 ( -0.000 20.641 0.000) 20.641 16.780 ( -0.000 -32.211 0.000) 32.211 19.129 ( -0.000 -24.633 0.000) 24.633 21.216 ( -0.000 -33.190 0.000) 33.190 21.479 ( -0.000 -16.828 0.000) 16.828 23.150 ( -0.000 -6.560 0.000) 6.560 25.409 ( -0.000 -1.074 0.000) 1.074 28.236 ( -0.000 -0.762 0.000) 0.762 29.218 ( -0.000 7.734 0.000) 7.734 ======================= Grid point 907 (429/429) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 0.000 0.000 0.000) 0.000 3.373 ( -0.000 -0.000 0.000) 0.000 4.054 ( -0.000 -0.000 -0.000) 0.000 4.728 ( -0.000 -0.000 0.000) 0.000 5.122 ( -0.000 -0.000 -0.000) 0.000 5.667 ( -0.000 -0.000 0.000) 0.000 6.061 ( -0.000 -0.000 0.000) 0.000 6.868 ( 0.000 0.000 0.000) 0.000 6.873 ( -0.000 -0.000 0.000) 0.000 7.112 ( -0.000 -0.000 0.000) 0.000 7.539 ( -0.000 -0.000 0.000) 0.000 7.809 ( -0.000 -0.000 0.000) 0.000 8.884 ( -0.000 -0.000 0.000) 0.000 9.235 ( -0.000 -0.000 0.000) 0.000 9.290 ( -0.000 -0.000 0.000) 0.000 10.073 ( 0.000 0.000 -0.000) 0.000 10.212 ( -0.000 -0.000 0.000) 0.000 10.389 ( -0.000 -0.000 0.000) 0.000 10.969 ( -0.000 -0.000 -0.000) 0.000 12.172 ( -0.000 -0.000 0.000) 0.000 12.873 ( -0.000 -0.000 0.000) 0.000 13.607 ( -0.000 -0.000 0.000) 0.000 14.417 ( 0.000 0.000 0.000) 0.000 14.640 ( -0.000 -0.000 0.000) 0.000 14.731 ( -0.000 -0.000 0.000) 0.000 15.287 ( -0.000 -0.000 -0.000) 0.000 15.582 ( -0.000 -0.000 0.000) 0.000 16.811 ( -0.000 -0.000 0.000) 0.000 17.146 ( 0.000 0.000 -0.000) 0.000 18.105 ( -0.000 -0.000 0.000) 0.000 20.193 ( -0.000 -0.000 0.000) 0.000 21.137 ( -0.000 -0.000 0.000) 0.000 23.051 ( -0.000 -0.000 0.000) 0.000 25.383 ( -0.000 -0.000 0.000) 0.000 28.221 ( -0.000 -0.000 0.000) 0.000 29.377 ( -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 3/56448 10.0 12910.525 6143.316 10967.488 0.000 4456.132 0.000 3/56448 20.0 4967.004 3119.555 3329.850 0.000 964.972 0.000 3/56448 30.0 1617.971 1494.981 1303.176 0.000 194.092 0.000 3/56448 40.0 752.271 786.513 620.960 0.000 56.564 0.000 3/56448 50.0 423.447 466.114 349.763 0.000 23.020 0.000 3/56448 60.0 266.398 300.614 220.389 0.000 12.123 0.000 3/56448 70.0 181.085 207.429 150.410 0.000 7.753 0.000 3/56448 80.0 130.551 151.306 109.050 0.000 5.664 0.000 3/56448 90.0 98.612 115.519 82.907 0.000 4.493 0.000 3/56448 100.0 77.361 91.556 65.480 0.000 3.743 0.000 3/56448 110.0 62.611 74.826 53.346 0.000 3.212 0.000 3/56448 120.0 52.002 62.717 44.583 0.000 2.810 0.000 3/56448 130.0 44.133 53.677 38.055 0.000 2.492 0.000 3/56448 140.0 38.140 46.746 33.060 0.000 2.233 0.000 3/56448 150.0 33.468 41.306 29.149 0.000 2.018 0.000 3/56448 160.0 29.750 36.950 26.023 0.000 1.837 0.000 3/56448 170.0 26.739 33.398 23.480 0.000 1.682 0.000 3/56448 180.0 24.261 30.458 21.380 0.000 1.549 0.000 3/56448 190.0 22.193 27.989 19.621 0.000 1.433 0.000 3/56448 200.0 20.446 25.892 18.130 0.000 1.331 0.000 3/56448 210.0 18.952 24.090 16.852 0.000 1.242 0.000 3/56448 220.0 17.663 22.526 15.746 0.000 1.162 0.000 3/56448 230.0 16.540 21.159 14.781 0.000 1.091 0.000 3/56448 240.0 15.555 19.952 13.932 0.000 1.028 0.000 3/56448 250.0 14.683 18.880 13.179 0.000 0.970 0.000 3/56448 260.0 13.906 17.922 12.508 0.000 0.919 0.000 3/56448 270.0 13.211 17.061 11.906 0.000 0.871 0.000 3/56448 280.0 12.584 16.282 11.362 0.000 0.828 0.000 3/56448 290.0 12.017 15.574 10.869 0.000 0.789 0.000 3/56448 300.0 11.501 14.929 10.420 0.000 0.753 0.000 3/56448 310.0 11.030 14.337 10.010 0.000 0.720 0.000 3/56448 320.0 10.597 13.793 9.632 0.000 0.689 0.000 3/56448 330.0 10.199 13.290 9.284 0.000 0.661 0.000 3/56448 340.0 9.831 12.825 8.963 0.000 0.634 0.000 3/56448 350.0 9.491 12.393 8.664 0.000 0.610 0.000 3/56448 360.0 9.174 11.990 8.386 0.000 0.587 0.000 3/56448 370.0 8.879 11.614 8.127 0.000 0.566 0.000 3/56448 380.0 8.603 11.262 7.884 0.000 0.546 0.000 3/56448 390.0 8.345 10.932 7.656 0.000 0.528 0.000 3/56448 400.0 8.102 10.621 7.443 0.000 0.510 0.000 3/56448 410.0 7.874 10.329 7.241 0.000 0.494 0.000 3/56448 420.0 7.659 10.052 7.051 0.000 0.478 0.000 3/56448 430.0 7.456 9.791 6.871 0.000 0.464 0.000 3/56448 440.0 7.265 9.544 6.701 0.000 0.450 0.000 3/56448 450.0 7.083 9.309 6.539 0.000 0.437 0.000 3/56448 460.0 6.910 9.086 6.386 0.000 0.425 0.000 3/56448 470.0 6.746 8.874 6.240 0.000 0.413 0.000 3/56448 480.0 6.590 8.672 6.100 0.000 0.402 0.000 3/56448 490.0 6.442 8.479 5.968 0.000 0.392 0.000 3/56448 500.0 6.300 8.295 5.841 0.000 0.382 0.000 3/56448 510.0 6.164 8.120 5.719 0.000 0.373 0.000 3/56448 520.0 6.035 7.951 5.603 0.000 0.364 0.000 3/56448 530.0 5.911 7.790 5.492 0.000 0.355 0.000 3/56448 540.0 5.792 7.635 5.385 0.000 0.347 0.000 3/56448 550.0 5.678 7.487 5.283 0.000 0.339 0.000 3/56448 560.0 5.569 7.344 5.184 0.000 0.332 0.000 3/56448 570.0 5.464 7.207 5.089 0.000 0.324 0.000 3/56448 580.0 5.362 7.075 4.998 0.000 0.317 0.000 3/56448 590.0 5.265 6.948 4.910 0.000 0.311 0.000 3/56448 600.0 5.171 6.826 4.825 0.000 0.305 0.000 3/56448 610.0 5.081 6.707 4.743 0.000 0.299 0.000 3/56448 620.0 4.994 6.593 4.664 0.000 0.293 0.000 3/56448 630.0 4.910 6.483 4.588 0.000 0.287 0.000 3/56448 640.0 4.829 6.377 4.514 0.000 0.282 0.000 3/56448 650.0 4.750 6.274 4.443 0.000 0.276 0.000 3/56448 660.0 4.674 6.175 4.374 0.000 0.271 0.000 3/56448 670.0 4.601 6.078 4.307 0.000 0.267 0.000 3/56448 680.0 4.530 5.985 4.242 0.000 0.262 0.000 3/56448 690.0 4.461 5.895 4.179 0.000 0.258 0.000 3/56448 700.0 4.394 5.807 4.118 0.000 0.253 0.000 3/56448 710.0 4.329 5.722 4.058 0.000 0.249 0.000 3/56448 720.0 4.266 5.639 4.001 0.000 0.245 0.000 3/56448 730.0 4.205 5.559 3.945 0.000 0.241 0.000 3/56448 740.0 4.146 5.481 3.891 0.000 0.237 0.000 3/56448 750.0 4.088 5.406 3.838 0.000 0.234 0.000 3/56448 760.0 4.032 5.332 3.786 0.000 0.230 0.000 3/56448 770.0 3.978 5.260 3.736 0.000 0.227 0.000 3/56448 780.0 3.925 5.191 3.688 0.000 0.223 0.000 3/56448 790.0 3.873 5.123 3.640 0.000 0.220 0.000 3/56448 800.0 3.823 5.057 3.594 0.000 0.217 0.000 3/56448 810.0 3.774 4.993 3.549 0.000 0.214 0.000 3/56448 820.0 3.727 4.930 3.505 0.000 0.211 0.000 3/56448 830.0 3.680 4.869 3.462 0.000 0.208 0.000 3/56448 840.0 3.635 4.809 3.421 0.000 0.205 0.000 3/56448 850.0 3.591 4.751 3.380 0.000 0.202 0.000 3/56448 860.0 3.548 4.694 3.340 0.000 0.200 0.000 3/56448 870.0 3.506 4.639 3.301 0.000 0.197 0.000 3/56448 880.0 3.465 4.585 3.263 0.000 0.194 0.000 3/56448 890.0 3.425 4.532 3.226 0.000 0.192 0.000 3/56448 900.0 3.386 4.481 3.190 0.000 0.190 0.000 3/56448 910.0 3.347 4.430 3.155 0.000 0.187 0.000 3/56448 920.0 3.310 4.381 3.120 0.000 0.185 0.000 3/56448 930.0 3.273 4.333 3.086 0.000 0.183 0.000 3/56448 940.0 3.238 4.286 3.053 0.000 0.181 0.000 3/56448 950.0 3.203 4.240 3.021 0.000 0.178 0.000 3/56448 960.0 3.169 4.194 2.989 0.000 0.176 0.000 3/56448 970.0 3.135 4.150 2.958 0.000 0.174 0.000 3/56448 980.0 3.102 4.107 2.927 0.000 0.172 0.000 3/56448 990.0 3.070 4.065 2.898 0.000 0.170 0.000 3/56448 1000.0 3.039 4.023 2.868 0.000 0.169 0.000 3/56448 Thermal conductivity related properties were written into "kappa-m14148.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:44:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|