----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:32:03]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.218337930000002 0.000000000000000 0.000000000000000 b 0.000000000000000 3.201402790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.726753460000001 Atomic positions (fractional): *1 Sc 0.35722259073320 0.25000000000000 0.42185283768975 44.956 2 Sc 0.85722259073320 0.25000000000000 0.07814716231025 44.956 3 Sc 0.64277740926680 0.75000000000000 0.57814716231025 44.956 4 Sc 0.14277740926680 0.75000000000000 0.92185283768975 44.956 *5 H 0.59808819210674 0.25000000000000 0.11103341824032 1.008 6 H 0.09808819210674 0.25000000000000 0.38896658175968 1.008 7 H 0.40191180789326 0.75000000000000 0.88896658175968 1.008 8 H 0.90191180789326 0.75000000000000 0.61103341824032 1.008 *9 O 0.69144887469596 0.25000000000000 0.82981734971052 15.999 10 O 0.19144887469596 0.25000000000000 0.67018265028948 15.999 11 O 0.30855112530404 0.75000000000000 0.17018265028948 15.999 12 O 0.80855112530404 0.75000000000000 0.32981734971052 15.999 *13 O 0.56198773162777 0.25000000000000 0.31150476389777 15.999 14 O 0.06198773162777 0.25000000000000 0.18849523610223 15.999 15 O 0.43801226837223 0.75000000000000 0.68849523610223 15.999 16 O 0.93801226837223 0.75000000000000 0.81150476389777 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.218337930000002 0.000000000000000 0.000000000000000 b 0.000000000000000 3.201402790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.726753460000001 Atomic positions (fractional): *1 Sc 0.35722259073320 0.25000000000000 0.42185283768975 44.956 > 1 2 Sc 0.85722259073320 0.25000000000000 0.07814716231025 44.956 > 2 3 Sc 0.64277740926680 0.75000000000000 0.57814716231025 44.956 > 3 4 Sc 0.14277740926680 0.75000000000000 0.92185283768975 44.956 > 4 *5 H 0.59808819210674 0.25000000000000 0.11103341824032 1.008 > 5 6 H 0.09808819210674 0.25000000000000 0.38896658175968 1.008 > 6 7 H 0.40191180789326 0.75000000000000 0.88896658175968 1.008 > 7 8 H 0.90191180789326 0.75000000000000 0.61103341824032 1.008 > 8 *9 O 0.69144887469596 0.25000000000000 0.82981734971052 15.999 > 9 10 O 0.19144887469596 0.25000000000000 0.67018265028948 15.999 > 10 11 O 0.30855112530404 0.75000000000000 0.17018265028948 15.999 > 11 12 O 0.80855112530404 0.75000000000000 0.32981734971052 15.999 > 12 *13 O 0.56198773162777 0.25000000000000 0.31150476389777 15.999 > 13 14 O 0.06198773162777 0.25000000000000 0.18849523610223 15.999 > 14 15 O 0.43801226837223 0.75000000000000 0.68849523610223 15.999 > 15 16 O 0.93801226837223 0.75000000000000 0.81150476389777 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.218337930000002 0.000000000000000 0.000000000000000 b 0.000000000000000 9.604208370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.180260380000004 Atomic positions (fractional): *1 Sc 0.35722259073320 0.08333333333333 0.14061761256325 44.956 > 1 2 Sc 0.35722259073320 0.41666666666667 0.14061761256325 44.956 > 1 3 Sc 0.35722259073320 0.75000000000000 0.14061761256325 44.956 > 1 4 Sc 0.35722259073320 0.08333333333333 0.47395094589658 44.956 > 1 5 Sc 0.35722259073320 0.41666666666667 0.47395094589658 44.956 > 1 6 Sc 0.35722259073320 0.75000000000000 0.47395094589658 44.956 > 1 7 Sc 0.35722259073320 0.08333333333333 0.80728427922992 44.956 > 1 8 Sc 0.35722259073320 0.41666666666667 0.80728427922992 44.956 > 1 9 Sc 0.35722259073320 0.75000000000000 0.80728427922992 44.956 > 1 10 Sc 0.85722259073320 0.08333333333333 0.02604905410342 44.956 > 2 11 Sc 0.85722259073320 0.41666666666667 0.02604905410342 44.956 > 2 12 Sc 0.85722259073320 0.75000000000000 0.02604905410342 44.956 > 2 13 Sc 0.85722259073320 0.08333333333333 0.35938238743675 44.956 > 2 14 Sc 0.85722259073320 0.41666666666667 0.35938238743675 44.956 > 2 15 Sc 0.85722259073320 0.75000000000000 0.35938238743675 44.956 > 2 16 Sc 0.85722259073320 0.08333333333333 0.69271572077008 44.956 > 2 17 Sc 0.85722259073320 0.41666666666667 0.69271572077008 44.956 > 2 18 Sc 0.85722259073320 0.75000000000000 0.69271572077008 44.956 > 2 19 Sc 0.64277740926680 0.25000000000000 0.19271572077008 44.956 > 3 20 Sc 0.64277740926680 0.58333333333333 0.19271572077008 44.956 > 3 21 Sc 0.64277740926680 0.91666666666667 0.19271572077008 44.956 > 3 22 Sc 0.64277740926680 0.25000000000000 0.52604905410342 44.956 > 3 23 Sc 0.64277740926680 0.58333333333333 0.52604905410342 44.956 > 3 24 Sc 0.64277740926680 0.91666666666667 0.52604905410342 44.956 > 3 25 Sc 0.64277740926680 0.25000000000000 0.85938238743675 44.956 > 3 26 Sc 0.64277740926680 0.58333333333333 0.85938238743675 44.956 > 3 27 Sc 0.64277740926680 0.91666666666667 0.85938238743675 44.956 > 3 28 Sc 0.14277740926680 0.25000000000000 0.30728427922992 44.956 > 4 29 Sc 0.14277740926680 0.58333333333333 0.30728427922992 44.956 > 4 30 Sc 0.14277740926680 0.91666666666667 0.30728427922992 44.956 > 4 31 Sc 0.14277740926680 0.25000000000000 0.64061761256325 44.956 > 4 32 Sc 0.14277740926680 0.58333333333333 0.64061761256325 44.956 > 4 33 Sc 0.14277740926680 0.91666666666667 0.64061761256325 44.956 > 4 34 Sc 0.14277740926680 0.25000000000000 0.97395094589658 44.956 > 4 35 Sc 0.14277740926680 0.58333333333333 0.97395094589658 44.956 > 4 36 Sc 0.14277740926680 0.91666666666667 0.97395094589658 44.956 > 4 *37 H 0.59808819210674 0.08333333333333 0.03701113941344 1.008 > 5 38 H 0.59808819210674 0.41666666666667 0.03701113941344 1.008 > 5 39 H 0.59808819210674 0.75000000000000 0.03701113941344 1.008 > 5 40 H 0.59808819210674 0.08333333333333 0.37034447274677 1.008 > 5 41 H 0.59808819210674 0.41666666666667 0.37034447274677 1.008 > 5 42 H 0.59808819210674 0.75000000000000 0.37034447274677 1.008 > 5 43 H 0.59808819210674 0.08333333333333 0.70367780608011 1.008 > 5 44 H 0.59808819210674 0.41666666666667 0.70367780608011 1.008 > 5 45 H 0.59808819210674 0.75000000000000 0.70367780608011 1.008 > 5 46 H 0.09808819210674 0.08333333333333 0.12965552725323 1.008 > 6 47 H 0.09808819210674 0.41666666666667 0.12965552725323 1.008 > 6 48 H 0.09808819210674 0.75000000000000 0.12965552725323 1.008 > 6 49 H 0.09808819210674 0.08333333333333 0.46298886058656 1.008 > 6 50 H 0.09808819210674 0.41666666666667 0.46298886058656 1.008 > 6 51 H 0.09808819210674 0.75000000000000 0.46298886058656 1.008 > 6 52 H 0.09808819210674 0.08333333333333 0.79632219391989 1.008 > 6 53 H 0.09808819210674 0.41666666666667 0.79632219391989 1.008 > 6 54 H 0.09808819210674 0.75000000000000 0.79632219391989 1.008 > 6 55 H 0.40191180789326 0.25000000000000 0.29632219391989 1.008 > 7 56 H 0.40191180789326 0.58333333333333 0.29632219391989 1.008 > 7 57 H 0.40191180789326 0.91666666666667 0.29632219391989 1.008 > 7 58 H 0.40191180789326 0.25000000000000 0.62965552725323 1.008 > 7 59 H 0.40191180789326 0.58333333333333 0.62965552725323 1.008 > 7 60 H 0.40191180789326 0.91666666666667 0.62965552725323 1.008 > 7 61 H 0.40191180789326 0.25000000000000 0.96298886058656 1.008 > 7 62 H 0.40191180789326 0.58333333333333 0.96298886058656 1.008 > 7 63 H 0.40191180789326 0.91666666666667 0.96298886058656 1.008 > 7 64 H 0.90191180789326 0.25000000000000 0.20367780608011 1.008 > 8 65 H 0.90191180789326 0.58333333333333 0.20367780608011 1.008 > 8 66 H 0.90191180789326 0.91666666666667 0.20367780608011 1.008 > 8 67 H 0.90191180789326 0.25000000000000 0.53701113941344 1.008 > 8 68 H 0.90191180789326 0.58333333333333 0.53701113941344 1.008 > 8 69 H 0.90191180789326 0.91666666666667 0.53701113941344 1.008 > 8 70 H 0.90191180789326 0.25000000000000 0.87034447274677 1.008 > 8 71 H 0.90191180789326 0.58333333333333 0.87034447274677 1.008 > 8 72 H 0.90191180789326 0.91666666666667 0.87034447274677 1.008 > 8 *73 O 0.69144887469596 0.08333333333333 0.27660578323684 15.999 > 9 74 O 0.69144887469596 0.41666666666667 0.27660578323684 15.999 > 9 75 O 0.69144887469596 0.75000000000000 0.27660578323684 15.999 > 9 76 O 0.69144887469596 0.08333333333333 0.60993911657017 15.999 > 9 77 O 0.69144887469596 0.41666666666667 0.60993911657017 15.999 > 9 78 O 0.69144887469596 0.75000000000000 0.60993911657017 15.999 > 9 79 O 0.69144887469596 0.08333333333333 0.94327244990351 15.999 > 9 80 O 0.69144887469596 0.41666666666667 0.94327244990351 15.999 > 9 81 O 0.69144887469596 0.75000000000000 0.94327244990351 15.999 > 9 82 O 0.19144887469596 0.08333333333333 0.22339421676316 15.999 > 10 83 O 0.19144887469596 0.41666666666667 0.22339421676316 15.999 > 10 84 O 0.19144887469596 0.75000000000000 0.22339421676316 15.999 > 10 85 O 0.19144887469596 0.08333333333333 0.55672755009649 15.999 > 10 86 O 0.19144887469596 0.41666666666667 0.55672755009649 15.999 > 10 87 O 0.19144887469596 0.75000000000000 0.55672755009649 15.999 > 10 88 O 0.19144887469596 0.08333333333333 0.89006088342983 15.999 > 10 89 O 0.19144887469596 0.41666666666667 0.89006088342983 15.999 > 10 90 O 0.19144887469596 0.75000000000000 0.89006088342983 15.999 > 10 91 O 0.30855112530404 0.25000000000000 0.05672755009649 15.999 > 11 92 O 0.30855112530404 0.58333333333333 0.05672755009649 15.999 > 11 93 O 0.30855112530404 0.91666666666667 0.05672755009649 15.999 > 11 94 O 0.30855112530404 0.25000000000000 0.39006088342983 15.999 > 11 95 O 0.30855112530404 0.58333333333333 0.39006088342983 15.999 > 11 96 O 0.30855112530404 0.91666666666667 0.39006088342983 15.999 > 11 97 O 0.30855112530404 0.25000000000000 0.72339421676316 15.999 > 11 98 O 0.30855112530404 0.58333333333333 0.72339421676316 15.999 > 11 99 O 0.30855112530404 0.91666666666667 0.72339421676316 15.999 > 11 100 O 0.80855112530404 0.25000000000000 0.10993911657017 15.999 > 12 101 O 0.80855112530404 0.58333333333333 0.10993911657017 15.999 > 12 102 O 0.80855112530404 0.91666666666667 0.10993911657017 15.999 > 12 103 O 0.80855112530404 0.25000000000000 0.44327244990351 15.999 > 12 104 O 0.80855112530404 0.58333333333333 0.44327244990351 15.999 > 12 105 O 0.80855112530404 0.91666666666667 0.44327244990351 15.999 > 12 106 O 0.80855112530404 0.25000000000000 0.77660578323684 15.999 > 12 107 O 0.80855112530404 0.58333333333333 0.77660578323684 15.999 > 12 108 O 0.80855112530404 0.91666666666667 0.77660578323684 15.999 > 12 *109 O 0.56198773162777 0.08333333333333 0.10383492129926 15.999 > 13 110 O 0.56198773162777 0.41666666666667 0.10383492129926 15.999 > 13 111 O 0.56198773162777 0.75000000000000 0.10383492129926 15.999 > 13 112 O 0.56198773162777 0.08333333333333 0.43716825463259 15.999 > 13 113 O 0.56198773162777 0.41666666666667 0.43716825463259 15.999 > 13 114 O 0.56198773162777 0.75000000000000 0.43716825463259 15.999 > 13 115 O 0.56198773162777 0.08333333333333 0.77050158796592 15.999 > 13 116 O 0.56198773162777 0.41666666666667 0.77050158796592 15.999 > 13 117 O 0.56198773162777 0.75000000000000 0.77050158796592 15.999 > 13 118 O 0.06198773162777 0.08333333333333 0.06283174536741 15.999 > 14 119 O 0.06198773162777 0.41666666666667 0.06283174536741 15.999 > 14 120 O 0.06198773162777 0.75000000000000 0.06283174536741 15.999 > 14 121 O 0.06198773162777 0.08333333333333 0.39616507870074 15.999 > 14 122 O 0.06198773162777 0.41666666666667 0.39616507870074 15.999 > 14 123 O 0.06198773162777 0.75000000000000 0.39616507870074 15.999 > 14 124 O 0.06198773162777 0.08333333333333 0.72949841203408 15.999 > 14 125 O 0.06198773162777 0.41666666666667 0.72949841203408 15.999 > 14 126 O 0.06198773162777 0.75000000000000 0.72949841203408 15.999 > 14 127 O 0.43801226837223 0.25000000000000 0.22949841203408 15.999 > 15 128 O 0.43801226837223 0.58333333333333 0.22949841203408 15.999 > 15 129 O 0.43801226837223 0.91666666666667 0.22949841203408 15.999 > 15 130 O 0.43801226837223 0.25000000000000 0.56283174536741 15.999 > 15 131 O 0.43801226837223 0.58333333333333 0.56283174536741 15.999 > 15 132 O 0.43801226837223 0.91666666666667 0.56283174536741 15.999 > 15 133 O 0.43801226837223 0.25000000000000 0.89616507870074 15.999 > 15 134 O 0.43801226837223 0.58333333333333 0.89616507870074 15.999 > 15 135 O 0.43801226837223 0.91666666666667 0.89616507870074 15.999 > 15 136 O 0.93801226837223 0.25000000000000 0.27050158796592 15.999 > 16 137 O 0.93801226837223 0.58333333333333 0.27050158796592 15.999 > 16 138 O 0.93801226837223 0.91666666666667 0.27050158796592 15.999 > 16 139 O 0.93801226837223 0.25000000000000 0.60383492129926 15.999 > 16 140 O 0.93801226837223 0.58333333333333 0.60383492129926 15.999 > 16 141 O 0.93801226837223 0.91666666666667 0.60383492129926 15.999 > 16 142 O 0.93801226837223 0.25000000000000 0.93716825463259 15.999 > 16 143 O 0.93801226837223 0.58333333333333 0.93716825463259 15.999 > 16 144 O 0.93801226837223 0.91666666666667 0.93716825463259 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9792473 0.0000000 0.0000000 0.0000000 4.1715219 0.0000000 0.0000000 0.0000000 3.9899123 -------------------------- Born effective charges -------------------------- 1 Sc 3.7635275 0.0000000 0.0160261 0.0000000 4.2050410 0.0000000 -0.1324212 0.0000000 3.3270473 2 Sc 3.7635275 0.0000000 -0.0160261 0.0000000 4.2050410 0.0000000 0.1324212 0.0000000 3.3270473 3 Sc 3.7635275 0.0000000 0.0160261 0.0000000 4.2050410 0.0000000 -0.1324212 0.0000000 3.3270473 4 Sc 3.7635275 0.0000000 -0.0160261 0.0000000 4.2050410 0.0000000 0.1324212 0.0000000 3.3270473 5 H 0.6160102 0.0000000 -0.6251908 0.0000000 0.2697150 0.0000000 -0.6326211 0.0000000 1.4193027 6 H 0.6160102 0.0000000 0.6251908 0.0000000 0.2697150 0.0000000 0.6326211 0.0000000 1.4193027 7 H 0.6160102 0.0000000 -0.6251908 0.0000000 0.2697150 0.0000000 -0.6326211 0.0000000 1.4193027 8 H 0.6160102 0.0000000 0.6251908 0.0000000 0.2697150 0.0000000 0.6326211 0.0000000 1.4193027 9 O -2.1389799 0.0000000 -0.5752256 0.0000000 -2.6490292 0.0000000 -0.6527464 0.0000000 -2.6903438 10 O -2.1389799 0.0000000 0.5752256 0.0000000 -2.6490292 0.0000000 0.6527464 0.0000000 -2.6903438 11 O -2.1389799 0.0000000 -0.5752256 0.0000000 -2.6490292 0.0000000 -0.6527464 0.0000000 -2.6903438 12 O -2.1389799 0.0000000 0.5752256 0.0000000 -2.6490292 0.0000000 0.6527464 0.0000000 -2.6903438 13 O -2.2405578 0.0000000 0.2511453 0.0000000 -1.8257267 0.0000000 0.2247822 0.0000000 -2.0560061 14 O -2.2405578 0.0000000 -0.2511453 0.0000000 -1.8257267 0.0000000 -0.2247822 0.0000000 -2.0560061 15 O -2.2405578 0.0000000 0.2511453 0.0000000 -1.8257267 0.0000000 0.2247822 0.0000000 -2.0560061 16 O -2.2405578 0.0000000 -0.2511453 0.0000000 -1.8257267 0.0000000 -0.2247822 0.0000000 -2.0560061 ---------------------------------------------------------------------------- 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: 10920/10920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1420), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 2.457 Solver_block: 200 / 240 - Time: 2.447 Solver_block: 240 / 240 - Time: 1.054 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.991 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 10920/10920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1420), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 376), 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 20:32:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:32:24]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.218337930000002 0.000000000000000 0.000000000000000 b 0.000000000000000 3.201402790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.726753460000001 Atomic positions (fractional): 1 Sc 0.35722259073320 0.25000000000000 0.42185283768975 44.956 2 Sc 0.85722259073320 0.25000000000000 0.07814716231025 44.956 3 Sc 0.64277740926680 0.75000000000000 0.57814716231025 44.956 4 Sc 0.14277740926680 0.75000000000000 0.92185283768975 44.956 5 H 0.59808819210674 0.25000000000000 0.11103341824032 1.008 6 H 0.09808819210674 0.25000000000000 0.38896658175968 1.008 7 H 0.40191180789326 0.75000000000000 0.88896658175968 1.008 8 H 0.90191180789326 0.75000000000000 0.61103341824032 1.008 9 O 0.69144887469596 0.25000000000000 0.82981734971052 15.999 10 O 0.19144887469596 0.25000000000000 0.67018265028948 15.999 11 O 0.30855112530404 0.75000000000000 0.17018265028948 15.999 12 O 0.80855112530404 0.75000000000000 0.32981734971052 15.999 13 O 0.56198773162777 0.25000000000000 0.31150476389777 15.999 14 O 0.06198773162777 0.25000000000000 0.18849523610223 15.999 15 O 0.43801226837223 0.75000000000000 0.68849523610223 15.999 16 O 0.93801226837223 0.75000000000000 0.81150476389777 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.218337930000002 0.000000000000000 0.000000000000000 b 0.000000000000000 9.604208370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.180260380000004 Atomic positions (fractional): 1 Sc 0.35722259073320 0.08333333333333 0.14061761256325 44.956 > 1 2 Sc 0.35722259073320 0.41666666666667 0.14061761256325 44.956 > 1 3 Sc 0.35722259073320 0.75000000000000 0.14061761256325 44.956 > 1 4 Sc 0.35722259073320 0.08333333333333 0.47395094589658 44.956 > 1 5 Sc 0.35722259073320 0.41666666666667 0.47395094589658 44.956 > 1 6 Sc 0.35722259073320 0.75000000000000 0.47395094589658 44.956 > 1 7 Sc 0.35722259073320 0.08333333333333 0.80728427922992 44.956 > 1 8 Sc 0.35722259073320 0.41666666666667 0.80728427922992 44.956 > 1 9 Sc 0.35722259073320 0.75000000000000 0.80728427922992 44.956 > 1 10 Sc 0.85722259073320 0.08333333333333 0.02604905410342 44.956 > 10 11 Sc 0.85722259073320 0.41666666666667 0.02604905410342 44.956 > 10 12 Sc 0.85722259073320 0.75000000000000 0.02604905410342 44.956 > 10 13 Sc 0.85722259073320 0.08333333333333 0.35938238743675 44.956 > 10 14 Sc 0.85722259073320 0.41666666666667 0.35938238743675 44.956 > 10 15 Sc 0.85722259073320 0.75000000000000 0.35938238743675 44.956 > 10 16 Sc 0.85722259073320 0.08333333333333 0.69271572077008 44.956 > 10 17 Sc 0.85722259073320 0.41666666666667 0.69271572077008 44.956 > 10 18 Sc 0.85722259073320 0.75000000000000 0.69271572077008 44.956 > 10 19 Sc 0.64277740926680 0.25000000000000 0.19271572077008 44.956 > 19 20 Sc 0.64277740926680 0.58333333333333 0.19271572077008 44.956 > 19 21 Sc 0.64277740926680 0.91666666666667 0.19271572077008 44.956 > 19 22 Sc 0.64277740926680 0.25000000000000 0.52604905410342 44.956 > 19 23 Sc 0.64277740926680 0.58333333333333 0.52604905410342 44.956 > 19 24 Sc 0.64277740926680 0.91666666666667 0.52604905410342 44.956 > 19 25 Sc 0.64277740926680 0.25000000000000 0.85938238743675 44.956 > 19 26 Sc 0.64277740926680 0.58333333333333 0.85938238743675 44.956 > 19 27 Sc 0.64277740926680 0.91666666666667 0.85938238743675 44.956 > 19 28 Sc 0.14277740926680 0.25000000000000 0.30728427922992 44.956 > 28 29 Sc 0.14277740926680 0.58333333333333 0.30728427922992 44.956 > 28 30 Sc 0.14277740926680 0.91666666666667 0.30728427922992 44.956 > 28 31 Sc 0.14277740926680 0.25000000000000 0.64061761256325 44.956 > 28 32 Sc 0.14277740926680 0.58333333333333 0.64061761256325 44.956 > 28 33 Sc 0.14277740926680 0.91666666666667 0.64061761256325 44.956 > 28 34 Sc 0.14277740926680 0.25000000000000 0.97395094589658 44.956 > 28 35 Sc 0.14277740926680 0.58333333333333 0.97395094589658 44.956 > 28 36 Sc 0.14277740926680 0.91666666666667 0.97395094589658 44.956 > 28 37 H 0.59808819210674 0.08333333333333 0.03701113941344 1.008 > 37 38 H 0.59808819210674 0.41666666666667 0.03701113941344 1.008 > 37 39 H 0.59808819210674 0.75000000000000 0.03701113941344 1.008 > 37 40 H 0.59808819210674 0.08333333333333 0.37034447274677 1.008 > 37 41 H 0.59808819210674 0.41666666666667 0.37034447274677 1.008 > 37 42 H 0.59808819210674 0.75000000000000 0.37034447274677 1.008 > 37 43 H 0.59808819210674 0.08333333333333 0.70367780608011 1.008 > 37 44 H 0.59808819210674 0.41666666666667 0.70367780608011 1.008 > 37 45 H 0.59808819210674 0.75000000000000 0.70367780608011 1.008 > 37 46 H 0.09808819210674 0.08333333333333 0.12965552725323 1.008 > 46 47 H 0.09808819210674 0.41666666666667 0.12965552725323 1.008 > 46 48 H 0.09808819210674 0.75000000000000 0.12965552725323 1.008 > 46 49 H 0.09808819210674 0.08333333333333 0.46298886058656 1.008 > 46 50 H 0.09808819210674 0.41666666666667 0.46298886058656 1.008 > 46 51 H 0.09808819210674 0.75000000000000 0.46298886058656 1.008 > 46 52 H 0.09808819210674 0.08333333333333 0.79632219391989 1.008 > 46 53 H 0.09808819210674 0.41666666666667 0.79632219391989 1.008 > 46 54 H 0.09808819210674 0.75000000000000 0.79632219391989 1.008 > 46 55 H 0.40191180789326 0.25000000000000 0.29632219391989 1.008 > 55 56 H 0.40191180789326 0.58333333333333 0.29632219391989 1.008 > 55 57 H 0.40191180789326 0.91666666666667 0.29632219391989 1.008 > 55 58 H 0.40191180789326 0.25000000000000 0.62965552725323 1.008 > 55 59 H 0.40191180789326 0.58333333333333 0.62965552725323 1.008 > 55 60 H 0.40191180789326 0.91666666666667 0.62965552725323 1.008 > 55 61 H 0.40191180789326 0.25000000000000 0.96298886058656 1.008 > 55 62 H 0.40191180789326 0.58333333333333 0.96298886058656 1.008 > 55 63 H 0.40191180789326 0.91666666666667 0.96298886058656 1.008 > 55 64 H 0.90191180789326 0.25000000000000 0.20367780608011 1.008 > 64 65 H 0.90191180789326 0.58333333333333 0.20367780608011 1.008 > 64 66 H 0.90191180789326 0.91666666666667 0.20367780608011 1.008 > 64 67 H 0.90191180789326 0.25000000000000 0.53701113941344 1.008 > 64 68 H 0.90191180789326 0.58333333333333 0.53701113941344 1.008 > 64 69 H 0.90191180789326 0.91666666666667 0.53701113941344 1.008 > 64 70 H 0.90191180789326 0.25000000000000 0.87034447274677 1.008 > 64 71 H 0.90191180789326 0.58333333333333 0.87034447274677 1.008 > 64 72 H 0.90191180789326 0.91666666666667 0.87034447274677 1.008 > 64 73 O 0.69144887469596 0.08333333333333 0.27660578323684 15.999 > 73 74 O 0.69144887469596 0.41666666666667 0.27660578323684 15.999 > 73 75 O 0.69144887469596 0.75000000000000 0.27660578323684 15.999 > 73 76 O 0.69144887469596 0.08333333333333 0.60993911657017 15.999 > 73 77 O 0.69144887469596 0.41666666666667 0.60993911657017 15.999 > 73 78 O 0.69144887469596 0.75000000000000 0.60993911657017 15.999 > 73 79 O 0.69144887469596 0.08333333333333 0.94327244990351 15.999 > 73 80 O 0.69144887469596 0.41666666666667 0.94327244990351 15.999 > 73 81 O 0.69144887469596 0.75000000000000 0.94327244990351 15.999 > 73 82 O 0.19144887469596 0.08333333333333 0.22339421676316 15.999 > 82 83 O 0.19144887469596 0.41666666666667 0.22339421676316 15.999 > 82 84 O 0.19144887469596 0.75000000000000 0.22339421676316 15.999 > 82 85 O 0.19144887469596 0.08333333333333 0.55672755009649 15.999 > 82 86 O 0.19144887469596 0.41666666666667 0.55672755009649 15.999 > 82 87 O 0.19144887469596 0.75000000000000 0.55672755009649 15.999 > 82 88 O 0.19144887469596 0.08333333333333 0.89006088342983 15.999 > 82 89 O 0.19144887469596 0.41666666666667 0.89006088342983 15.999 > 82 90 O 0.19144887469596 0.75000000000000 0.89006088342983 15.999 > 82 91 O 0.30855112530404 0.25000000000000 0.05672755009649 15.999 > 91 92 O 0.30855112530404 0.58333333333333 0.05672755009649 15.999 > 91 93 O 0.30855112530404 0.91666666666667 0.05672755009649 15.999 > 91 94 O 0.30855112530404 0.25000000000000 0.39006088342983 15.999 > 91 95 O 0.30855112530404 0.58333333333333 0.39006088342983 15.999 > 91 96 O 0.30855112530404 0.91666666666667 0.39006088342983 15.999 > 91 97 O 0.30855112530404 0.25000000000000 0.72339421676316 15.999 > 91 98 O 0.30855112530404 0.58333333333333 0.72339421676316 15.999 > 91 99 O 0.30855112530404 0.91666666666667 0.72339421676316 15.999 > 91 100 O 0.80855112530404 0.25000000000000 0.10993911657017 15.999 > 100 101 O 0.80855112530404 0.58333333333333 0.10993911657017 15.999 > 100 102 O 0.80855112530404 0.91666666666667 0.10993911657017 15.999 > 100 103 O 0.80855112530404 0.25000000000000 0.44327244990351 15.999 > 100 104 O 0.80855112530404 0.58333333333333 0.44327244990351 15.999 > 100 105 O 0.80855112530404 0.91666666666667 0.44327244990351 15.999 > 100 106 O 0.80855112530404 0.25000000000000 0.77660578323684 15.999 > 100 107 O 0.80855112530404 0.58333333333333 0.77660578323684 15.999 > 100 108 O 0.80855112530404 0.91666666666667 0.77660578323684 15.999 > 100 109 O 0.56198773162777 0.08333333333333 0.10383492129926 15.999 > 109 110 O 0.56198773162777 0.41666666666667 0.10383492129926 15.999 > 109 111 O 0.56198773162777 0.75000000000000 0.10383492129926 15.999 > 109 112 O 0.56198773162777 0.08333333333333 0.43716825463259 15.999 > 109 113 O 0.56198773162777 0.41666666666667 0.43716825463259 15.999 > 109 114 O 0.56198773162777 0.75000000000000 0.43716825463259 15.999 > 109 115 O 0.56198773162777 0.08333333333333 0.77050158796592 15.999 > 109 116 O 0.56198773162777 0.41666666666667 0.77050158796592 15.999 > 109 117 O 0.56198773162777 0.75000000000000 0.77050158796592 15.999 > 109 118 O 0.06198773162777 0.08333333333333 0.06283174536741 15.999 > 118 119 O 0.06198773162777 0.41666666666667 0.06283174536741 15.999 > 118 120 O 0.06198773162777 0.75000000000000 0.06283174536741 15.999 > 118 121 O 0.06198773162777 0.08333333333333 0.39616507870074 15.999 > 118 122 O 0.06198773162777 0.41666666666667 0.39616507870074 15.999 > 118 123 O 0.06198773162777 0.75000000000000 0.39616507870074 15.999 > 118 124 O 0.06198773162777 0.08333333333333 0.72949841203408 15.999 > 118 125 O 0.06198773162777 0.41666666666667 0.72949841203408 15.999 > 118 126 O 0.06198773162777 0.75000000000000 0.72949841203408 15.999 > 118 127 O 0.43801226837223 0.25000000000000 0.22949841203408 15.999 > 127 128 O 0.43801226837223 0.58333333333333 0.22949841203408 15.999 > 127 129 O 0.43801226837223 0.91666666666667 0.22949841203408 15.999 > 127 130 O 0.43801226837223 0.25000000000000 0.56283174536741 15.999 > 127 131 O 0.43801226837223 0.58333333333333 0.56283174536741 15.999 > 127 132 O 0.43801226837223 0.91666666666667 0.56283174536741 15.999 > 127 133 O 0.43801226837223 0.25000000000000 0.89616507870074 15.999 > 127 134 O 0.43801226837223 0.58333333333333 0.89616507870074 15.999 > 127 135 O 0.43801226837223 0.91666666666667 0.89616507870074 15.999 > 127 136 O 0.93801226837223 0.25000000000000 0.27050158796592 15.999 > 136 137 O 0.93801226837223 0.58333333333333 0.27050158796592 15.999 > 136 138 O 0.93801226837223 0.91666666666667 0.27050158796592 15.999 > 136 139 O 0.93801226837223 0.25000000000000 0.60383492129926 15.999 > 136 140 O 0.93801226837223 0.58333333333333 0.60383492129926 15.999 > 136 141 O 0.93801226837223 0.91666666666667 0.60383492129926 15.999 > 136 142 O 0.93801226837223 0.25000000000000 0.93716825463259 15.999 > 136 143 O 0.93801226837223 0.58333333333333 0.93716825463259 15.999 > 136 144 O 0.93801226837223 0.91666666666667 0.93716825463259 15.999 > 136 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9792473 0.0000000 0.0000000 0.0000000 4.1715219 0.0000000 0.0000000 0.0000000 3.9899123 -------------------------- Born effective charges -------------------------- 1 Sc 3.7635275 0.0000000 0.0160261 0.0000000 4.2050410 0.0000000 -0.1324212 0.0000000 3.3270473 2 Sc 3.7635275 0.0000000 -0.0160261 0.0000000 4.2050410 0.0000000 0.1324212 0.0000000 3.3270473 3 Sc 3.7635275 0.0000000 0.0160261 0.0000000 4.2050410 0.0000000 -0.1324212 0.0000000 3.3270473 4 Sc 3.7635275 0.0000000 -0.0160261 0.0000000 4.2050410 0.0000000 0.1324212 0.0000000 3.3270473 5 H 0.6160102 0.0000000 -0.6251908 0.0000000 0.2697150 0.0000000 -0.6326211 0.0000000 1.4193027 6 H 0.6160102 0.0000000 0.6251908 0.0000000 0.2697150 0.0000000 0.6326211 0.0000000 1.4193027 7 H 0.6160102 0.0000000 -0.6251908 0.0000000 0.2697150 0.0000000 -0.6326211 0.0000000 1.4193027 8 H 0.6160102 0.0000000 0.6251908 0.0000000 0.2697150 0.0000000 0.6326211 0.0000000 1.4193027 9 O -2.1389799 0.0000000 -0.5752256 0.0000000 -2.6490292 0.0000000 -0.6527464 0.0000000 -2.6903438 10 O -2.1389799 0.0000000 0.5752256 0.0000000 -2.6490292 0.0000000 0.6527464 0.0000000 -2.6903438 11 O -2.1389799 0.0000000 -0.5752256 0.0000000 -2.6490292 0.0000000 -0.6527464 0.0000000 -2.6903438 12 O -2.1389799 0.0000000 0.5752256 0.0000000 -2.6490292 0.0000000 0.6527464 0.0000000 -2.6903438 13 O -2.2405578 0.0000000 0.2511453 0.0000000 -1.8257267 0.0000000 0.2247822 0.0000000 -2.0560061 14 O -2.2405578 0.0000000 -0.2511453 0.0000000 -1.8257267 0.0000000 -0.2247822 0.0000000 -2.0560061 15 O -2.2405578 0.0000000 0.2511453 0.0000000 -1.8257267 0.0000000 0.2247822 0.0000000 -2.0560061 16 O -2.2405578 0.0000000 -0.2511453 0.0000000 -1.8257267 0.0000000 -0.2247822 0.0000000 -2.0560061 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) -0.00000000 (zxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 20:32:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:32:45]------------------------- 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 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.218337930000002 0.000000000000000 0.000000000000000 b 0.000000000000000 3.201402790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.726753460000001 Atomic positions (fractional): 1 Sc 0.35722259073320 0.25000000000000 0.42185283768975 44.956 2 Sc 0.85722259073320 0.25000000000000 0.07814716231025 44.956 3 Sc 0.64277740926680 0.75000000000000 0.57814716231025 44.956 4 Sc 0.14277740926680 0.75000000000000 0.92185283768975 44.956 5 H 0.59808819210674 0.25000000000000 0.11103341824032 1.008 6 H 0.09808819210674 0.25000000000000 0.38896658175968 1.008 7 H 0.40191180789326 0.75000000000000 0.88896658175968 1.008 8 H 0.90191180789326 0.75000000000000 0.61103341824032 1.008 9 O 0.69144887469596 0.25000000000000 0.82981734971052 15.999 10 O 0.19144887469596 0.25000000000000 0.67018265028948 15.999 11 O 0.30855112530404 0.75000000000000 0.17018265028948 15.999 12 O 0.80855112530404 0.75000000000000 0.32981734971052 15.999 13 O 0.56198773162777 0.25000000000000 0.31150476389777 15.999 14 O 0.06198773162777 0.25000000000000 0.18849523610223 15.999 15 O 0.43801226837223 0.75000000000000 0.68849523610223 15.999 16 O 0.93801226837223 0.75000000000000 0.81150476389777 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.218337930000002 0.000000000000000 0.000000000000000 b 0.000000000000000 9.604208370000000 0.000000000000000 c 0.000000000000000 0.000000000000000 14.180260380000004 Atomic positions (fractional): 1 Sc 0.35722259073320 0.08333333333333 0.14061761256325 44.956 > 1 2 Sc 0.35722259073320 0.41666666666667 0.14061761256325 44.956 > 1 3 Sc 0.35722259073320 0.75000000000000 0.14061761256325 44.956 > 1 4 Sc 0.35722259073320 0.08333333333333 0.47395094589658 44.956 > 1 5 Sc 0.35722259073320 0.41666666666667 0.47395094589658 44.956 > 1 6 Sc 0.35722259073320 0.75000000000000 0.47395094589658 44.956 > 1 7 Sc 0.35722259073320 0.08333333333333 0.80728427922992 44.956 > 1 8 Sc 0.35722259073320 0.41666666666667 0.80728427922992 44.956 > 1 9 Sc 0.35722259073320 0.75000000000000 0.80728427922992 44.956 > 1 10 Sc 0.85722259073320 0.08333333333333 0.02604905410342 44.956 > 10 11 Sc 0.85722259073320 0.41666666666667 0.02604905410342 44.956 > 10 12 Sc 0.85722259073320 0.75000000000000 0.02604905410342 44.956 > 10 13 Sc 0.85722259073320 0.08333333333333 0.35938238743675 44.956 > 10 14 Sc 0.85722259073320 0.41666666666667 0.35938238743675 44.956 > 10 15 Sc 0.85722259073320 0.75000000000000 0.35938238743675 44.956 > 10 16 Sc 0.85722259073320 0.08333333333333 0.69271572077008 44.956 > 10 17 Sc 0.85722259073320 0.41666666666667 0.69271572077008 44.956 > 10 18 Sc 0.85722259073320 0.75000000000000 0.69271572077008 44.956 > 10 19 Sc 0.64277740926680 0.25000000000000 0.19271572077008 44.956 > 19 20 Sc 0.64277740926680 0.58333333333333 0.19271572077008 44.956 > 19 21 Sc 0.64277740926680 0.91666666666667 0.19271572077008 44.956 > 19 22 Sc 0.64277740926680 0.25000000000000 0.52604905410342 44.956 > 19 23 Sc 0.64277740926680 0.58333333333333 0.52604905410342 44.956 > 19 24 Sc 0.64277740926680 0.91666666666667 0.52604905410342 44.956 > 19 25 Sc 0.64277740926680 0.25000000000000 0.85938238743675 44.956 > 19 26 Sc 0.64277740926680 0.58333333333333 0.85938238743675 44.956 > 19 27 Sc 0.64277740926680 0.91666666666667 0.85938238743675 44.956 > 19 28 Sc 0.14277740926680 0.25000000000000 0.30728427922992 44.956 > 28 29 Sc 0.14277740926680 0.58333333333333 0.30728427922992 44.956 > 28 30 Sc 0.14277740926680 0.91666666666667 0.30728427922992 44.956 > 28 31 Sc 0.14277740926680 0.25000000000000 0.64061761256325 44.956 > 28 32 Sc 0.14277740926680 0.58333333333333 0.64061761256325 44.956 > 28 33 Sc 0.14277740926680 0.91666666666667 0.64061761256325 44.956 > 28 34 Sc 0.14277740926680 0.25000000000000 0.97395094589658 44.956 > 28 35 Sc 0.14277740926680 0.58333333333333 0.97395094589658 44.956 > 28 36 Sc 0.14277740926680 0.91666666666667 0.97395094589658 44.956 > 28 37 H 0.59808819210674 0.08333333333333 0.03701113941344 1.008 > 37 38 H 0.59808819210674 0.41666666666667 0.03701113941344 1.008 > 37 39 H 0.59808819210674 0.75000000000000 0.03701113941344 1.008 > 37 40 H 0.59808819210674 0.08333333333333 0.37034447274677 1.008 > 37 41 H 0.59808819210674 0.41666666666667 0.37034447274677 1.008 > 37 42 H 0.59808819210674 0.75000000000000 0.37034447274677 1.008 > 37 43 H 0.59808819210674 0.08333333333333 0.70367780608011 1.008 > 37 44 H 0.59808819210674 0.41666666666667 0.70367780608011 1.008 > 37 45 H 0.59808819210674 0.75000000000000 0.70367780608011 1.008 > 37 46 H 0.09808819210674 0.08333333333333 0.12965552725323 1.008 > 46 47 H 0.09808819210674 0.41666666666667 0.12965552725323 1.008 > 46 48 H 0.09808819210674 0.75000000000000 0.12965552725323 1.008 > 46 49 H 0.09808819210674 0.08333333333333 0.46298886058656 1.008 > 46 50 H 0.09808819210674 0.41666666666667 0.46298886058656 1.008 > 46 51 H 0.09808819210674 0.75000000000000 0.46298886058656 1.008 > 46 52 H 0.09808819210674 0.08333333333333 0.79632219391989 1.008 > 46 53 H 0.09808819210674 0.41666666666667 0.79632219391989 1.008 > 46 54 H 0.09808819210674 0.75000000000000 0.79632219391989 1.008 > 46 55 H 0.40191180789326 0.25000000000000 0.29632219391989 1.008 > 55 56 H 0.40191180789326 0.58333333333333 0.29632219391989 1.008 > 55 57 H 0.40191180789326 0.91666666666667 0.29632219391989 1.008 > 55 58 H 0.40191180789326 0.25000000000000 0.62965552725323 1.008 > 55 59 H 0.40191180789326 0.58333333333333 0.62965552725323 1.008 > 55 60 H 0.40191180789326 0.91666666666667 0.62965552725323 1.008 > 55 61 H 0.40191180789326 0.25000000000000 0.96298886058656 1.008 > 55 62 H 0.40191180789326 0.58333333333333 0.96298886058656 1.008 > 55 63 H 0.40191180789326 0.91666666666667 0.96298886058656 1.008 > 55 64 H 0.90191180789326 0.25000000000000 0.20367780608011 1.008 > 64 65 H 0.90191180789326 0.58333333333333 0.20367780608011 1.008 > 64 66 H 0.90191180789326 0.91666666666667 0.20367780608011 1.008 > 64 67 H 0.90191180789326 0.25000000000000 0.53701113941344 1.008 > 64 68 H 0.90191180789326 0.58333333333333 0.53701113941344 1.008 > 64 69 H 0.90191180789326 0.91666666666667 0.53701113941344 1.008 > 64 70 H 0.90191180789326 0.25000000000000 0.87034447274677 1.008 > 64 71 H 0.90191180789326 0.58333333333333 0.87034447274677 1.008 > 64 72 H 0.90191180789326 0.91666666666667 0.87034447274677 1.008 > 64 73 O 0.69144887469596 0.08333333333333 0.27660578323684 15.999 > 73 74 O 0.69144887469596 0.41666666666667 0.27660578323684 15.999 > 73 75 O 0.69144887469596 0.75000000000000 0.27660578323684 15.999 > 73 76 O 0.69144887469596 0.08333333333333 0.60993911657017 15.999 > 73 77 O 0.69144887469596 0.41666666666667 0.60993911657017 15.999 > 73 78 O 0.69144887469596 0.75000000000000 0.60993911657017 15.999 > 73 79 O 0.69144887469596 0.08333333333333 0.94327244990351 15.999 > 73 80 O 0.69144887469596 0.41666666666667 0.94327244990351 15.999 > 73 81 O 0.69144887469596 0.75000000000000 0.94327244990351 15.999 > 73 82 O 0.19144887469596 0.08333333333333 0.22339421676316 15.999 > 82 83 O 0.19144887469596 0.41666666666667 0.22339421676316 15.999 > 82 84 O 0.19144887469596 0.75000000000000 0.22339421676316 15.999 > 82 85 O 0.19144887469596 0.08333333333333 0.55672755009649 15.999 > 82 86 O 0.19144887469596 0.41666666666667 0.55672755009649 15.999 > 82 87 O 0.19144887469596 0.75000000000000 0.55672755009649 15.999 > 82 88 O 0.19144887469596 0.08333333333333 0.89006088342983 15.999 > 82 89 O 0.19144887469596 0.41666666666667 0.89006088342983 15.999 > 82 90 O 0.19144887469596 0.75000000000000 0.89006088342983 15.999 > 82 91 O 0.30855112530404 0.25000000000000 0.05672755009649 15.999 > 91 92 O 0.30855112530404 0.58333333333333 0.05672755009649 15.999 > 91 93 O 0.30855112530404 0.91666666666667 0.05672755009649 15.999 > 91 94 O 0.30855112530404 0.25000000000000 0.39006088342983 15.999 > 91 95 O 0.30855112530404 0.58333333333333 0.39006088342983 15.999 > 91 96 O 0.30855112530404 0.91666666666667 0.39006088342983 15.999 > 91 97 O 0.30855112530404 0.25000000000000 0.72339421676316 15.999 > 91 98 O 0.30855112530404 0.58333333333333 0.72339421676316 15.999 > 91 99 O 0.30855112530404 0.91666666666667 0.72339421676316 15.999 > 91 100 O 0.80855112530404 0.25000000000000 0.10993911657017 15.999 > 100 101 O 0.80855112530404 0.58333333333333 0.10993911657017 15.999 > 100 102 O 0.80855112530404 0.91666666666667 0.10993911657017 15.999 > 100 103 O 0.80855112530404 0.25000000000000 0.44327244990351 15.999 > 100 104 O 0.80855112530404 0.58333333333333 0.44327244990351 15.999 > 100 105 O 0.80855112530404 0.91666666666667 0.44327244990351 15.999 > 100 106 O 0.80855112530404 0.25000000000000 0.77660578323684 15.999 > 100 107 O 0.80855112530404 0.58333333333333 0.77660578323684 15.999 > 100 108 O 0.80855112530404 0.91666666666667 0.77660578323684 15.999 > 100 109 O 0.56198773162777 0.08333333333333 0.10383492129926 15.999 > 109 110 O 0.56198773162777 0.41666666666667 0.10383492129926 15.999 > 109 111 O 0.56198773162777 0.75000000000000 0.10383492129926 15.999 > 109 112 O 0.56198773162777 0.08333333333333 0.43716825463259 15.999 > 109 113 O 0.56198773162777 0.41666666666667 0.43716825463259 15.999 > 109 114 O 0.56198773162777 0.75000000000000 0.43716825463259 15.999 > 109 115 O 0.56198773162777 0.08333333333333 0.77050158796592 15.999 > 109 116 O 0.56198773162777 0.41666666666667 0.77050158796592 15.999 > 109 117 O 0.56198773162777 0.75000000000000 0.77050158796592 15.999 > 109 118 O 0.06198773162777 0.08333333333333 0.06283174536741 15.999 > 118 119 O 0.06198773162777 0.41666666666667 0.06283174536741 15.999 > 118 120 O 0.06198773162777 0.75000000000000 0.06283174536741 15.999 > 118 121 O 0.06198773162777 0.08333333333333 0.39616507870074 15.999 > 118 122 O 0.06198773162777 0.41666666666667 0.39616507870074 15.999 > 118 123 O 0.06198773162777 0.75000000000000 0.39616507870074 15.999 > 118 124 O 0.06198773162777 0.08333333333333 0.72949841203408 15.999 > 118 125 O 0.06198773162777 0.41666666666667 0.72949841203408 15.999 > 118 126 O 0.06198773162777 0.75000000000000 0.72949841203408 15.999 > 118 127 O 0.43801226837223 0.25000000000000 0.22949841203408 15.999 > 127 128 O 0.43801226837223 0.58333333333333 0.22949841203408 15.999 > 127 129 O 0.43801226837223 0.91666666666667 0.22949841203408 15.999 > 127 130 O 0.43801226837223 0.25000000000000 0.56283174536741 15.999 > 127 131 O 0.43801226837223 0.58333333333333 0.56283174536741 15.999 > 127 132 O 0.43801226837223 0.91666666666667 0.56283174536741 15.999 > 127 133 O 0.43801226837223 0.25000000000000 0.89616507870074 15.999 > 127 134 O 0.43801226837223 0.58333333333333 0.89616507870074 15.999 > 127 135 O 0.43801226837223 0.91666666666667 0.89616507870074 15.999 > 127 136 O 0.93801226837223 0.25000000000000 0.27050158796592 15.999 > 136 137 O 0.93801226837223 0.58333333333333 0.27050158796592 15.999 > 136 138 O 0.93801226837223 0.91666666666667 0.27050158796592 15.999 > 136 139 O 0.93801226837223 0.25000000000000 0.60383492129926 15.999 > 136 140 O 0.93801226837223 0.58333333333333 0.60383492129926 15.999 > 136 141 O 0.93801226837223 0.91666666666667 0.60383492129926 15.999 > 136 142 O 0.93801226837223 0.25000000000000 0.93716825463259 15.999 > 136 143 O 0.93801226837223 0.58333333333333 0.93716825463259 15.999 > 136 144 O 0.93801226837223 0.91666666666667 0.93716825463259 15.999 > 136 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9792473 0.0000000 0.0000000 0.0000000 4.1715219 0.0000000 0.0000000 0.0000000 3.9899123 -------------------------- Born effective charges -------------------------- 1 Sc 3.7635275 0.0000000 0.0160261 0.0000000 4.2050410 0.0000000 -0.1324212 0.0000000 3.3270473 2 Sc 3.7635275 0.0000000 -0.0160261 0.0000000 4.2050410 0.0000000 0.1324212 0.0000000 3.3270473 3 Sc 3.7635275 0.0000000 0.0160261 0.0000000 4.2050410 0.0000000 -0.1324212 0.0000000 3.3270473 4 Sc 3.7635275 0.0000000 -0.0160261 0.0000000 4.2050410 0.0000000 0.1324212 0.0000000 3.3270473 5 H 0.6160102 0.0000000 -0.6251908 0.0000000 0.2697150 0.0000000 -0.6326211 0.0000000 1.4193027 6 H 0.6160102 0.0000000 0.6251908 0.0000000 0.2697150 0.0000000 0.6326211 0.0000000 1.4193027 7 H 0.6160102 0.0000000 -0.6251908 0.0000000 0.2697150 0.0000000 -0.6326211 0.0000000 1.4193027 8 H 0.6160102 0.0000000 0.6251908 0.0000000 0.2697150 0.0000000 0.6326211 0.0000000 1.4193027 9 O -2.1389799 0.0000000 -0.5752256 0.0000000 -2.6490292 0.0000000 -0.6527464 0.0000000 -2.6903438 10 O -2.1389799 0.0000000 0.5752256 0.0000000 -2.6490292 0.0000000 0.6527464 0.0000000 -2.6903438 11 O -2.1389799 0.0000000 -0.5752256 0.0000000 -2.6490292 0.0000000 -0.6527464 0.0000000 -2.6903438 12 O -2.1389799 0.0000000 0.5752256 0.0000000 -2.6490292 0.0000000 0.6527464 0.0000000 -2.6903438 13 O -2.2405578 0.0000000 0.2511453 0.0000000 -1.8257267 0.0000000 0.2247822 0.0000000 -2.0560061 14 O -2.2405578 0.0000000 -0.2511453 0.0000000 -1.8257267 0.0000000 -0.2247822 0.0000000 -2.0560061 15 O -2.2405578 0.0000000 0.2511453 0.0000000 -1.8257267 0.0000000 0.2247822 0.0000000 -2.0560061 16 O -2.2405578 0.0000000 -0.2511453 0.0000000 -1.8257267 0.0000000 -0.2247822 0.0000000 -2.0560061 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zxz) 0.00000000 (zxz) -0.00000000 (zxz) 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 ... [ 5 16 11 ] 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: 0.77, Number of G-points: 309, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/162) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 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 3.111 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 0.000) 0.000 6.433 ( 0.000 0.000 0.000) 0.000 7.145 ( 0.000 0.000 0.000) 0.000 7.304 ( 0.000 0.000 0.000) 0.000 7.871 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 8.485 ( 0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 9.113 ( 0.000 0.000 0.000) 0.000 9.147 ( 0.000 0.000 0.000) 0.000 9.151 ( 0.000 0.000 0.000) 0.000 9.840 ( 0.000 0.000 0.000) 0.000 10.654 ( 0.000 0.000 0.000) 0.000 11.497 ( 0.000 0.000 0.000) 0.000 11.617 ( 0.000 0.000 0.000) 0.000 12.037 ( 0.000 0.000 0.000) 0.000 12.082 ( 0.000 0.000 0.000) 0.000 12.111 ( 0.000 0.000 0.000) 0.000 12.193 ( 0.000 0.000 0.000) 0.000 12.201 ( 0.000 0.000 0.000) 0.000 13.011 ( 0.000 0.000 0.000) 0.000 13.759 ( 0.000 0.000 0.000) 0.000 14.277 ( 0.000 0.000 0.000) 0.000 14.738 ( 0.000 0.000 0.000) 0.000 15.453 ( 0.000 0.000 0.000) 0.000 15.690 ( 0.000 0.000 0.000) 0.000 16.039 ( 0.000 0.000 0.000) 0.000 18.363 ( 0.000 0.000 0.000) 0.000 19.434 ( 0.000 0.000 0.000) 0.000 27.405 ( 0.000 0.000 0.000) 0.000 27.500 ( 0.000 0.000 0.000) 0.000 28.748 ( 0.000 0.000 0.000) 0.000 28.835 ( 0.000 0.000 0.000) 0.000 29.736 ( 0.000 0.000 0.000) 0.000 30.868 ( 0.000 0.000 0.000) 0.000 32.234 ( 0.000 0.000 0.000) 0.000 32.398 ( 0.000 0.000 0.000) 0.000 85.918 ( 0.000 0.000 0.000) 0.000 86.097 ( 0.000 0.000 0.000) 0.000 86.413 ( 0.000 0.000 0.000) 0.000 86.674 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/162) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 42.386 0.000 0.000) 42.386 0.887 ( 44.788 0.000 0.000) 44.788 1.528 ( 76.084 0.000 0.000) 76.084 2.911 ( -18.551 0.000 0.000) 18.551 3.239 ( -32.767 0.000 0.000) 32.767 4.421 ( 21.646 0.000 0.000) 21.646 5.241 ( -5.619 0.000 0.000) 5.619 5.673 ( -56.564 0.000 0.000) 56.564 5.844 ( 17.685 0.000 0.000) 17.685 7.049 ( -11.904 0.000 0.000) 11.904 7.816 ( 33.153 0.000 0.000) 33.153 7.951 ( 7.835 0.000 0.000) 7.835 8.378 ( 1.019 0.000 0.000) 1.019 8.473 ( -1.202 0.000 0.000) 1.202 8.764 ( -5.487 0.000 0.000) 5.487 9.098 ( -5.128 0.000 0.000) 5.128 9.118 ( 0.459 0.000 0.000) 0.459 9.148 ( -0.264 0.000 0.000) 0.264 10.689 ( 3.479 0.000 0.000) 3.479 11.149 ( -8.552 0.000 0.000) 8.552 11.665 ( 3.786 0.000 0.000) 3.786 11.952 ( -6.965 0.000 0.000) 6.965 12.086 ( 0.368 0.000 0.000) 0.368 12.110 ( -0.152 0.000 0.000) 0.152 12.192 ( -0.045 0.000 0.000) 0.045 12.199 ( -0.169 0.000 0.000) 0.169 13.089 ( 6.911 0.000 0.000) 6.911 13.661 ( -9.077 0.000 0.000) 9.077 14.361 ( 7.855 0.000 0.000) 7.855 14.735 ( -0.821 0.000 0.000) 0.821 15.491 ( 3.494 0.000 0.000) 3.494 15.674 ( -1.531 0.000 0.000) 1.531 16.064 ( 2.397 0.000 0.000) 2.397 16.292 ( -3.226 0.000 0.000) 3.226 19.438 ( 0.424 0.000 0.000) 0.424 19.494 ( -0.902 0.000 0.000) 0.902 27.413 ( 0.856 0.000 0.000) 0.856 27.490 ( -0.949 0.000 0.000) 0.949 28.757 ( 0.865 0.000 0.000) 0.865 28.827 ( -0.772 0.000 0.000) 0.772 30.891 ( 2.284 0.000 0.000) 2.284 31.103 ( -2.725 0.000 0.000) 2.725 32.252 ( 1.794 0.000 0.000) 1.794 32.384 ( -1.345 0.000 0.000) 1.345 85.946 ( 2.853 0.000 0.000) 2.853 86.309 ( -7.891 0.000 0.000) 7.891 86.784 ( 8.493 0.000 0.000) 8.493 87.199 ( -3.461 0.000 0.000) 3.461 ======================= Grid point 2 (3/162) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 38.304 0.000 0.000) 38.304 1.743 ( 42.381 0.000 0.000) 42.381 2.305 ( -25.516 0.000 0.000) 25.516 2.537 ( -38.503 0.000 0.000) 38.503 3.099 ( 67.362 0.000 0.000) 67.362 4.452 ( -66.982 0.000 0.000) 66.982 4.801 ( 16.844 0.000 0.000) 16.844 5.076 ( -11.258 0.000 0.000) 11.258 6.269 ( 23.878 0.000 0.000) 23.878 6.719 ( -20.952 0.000 0.000) 20.952 8.149 ( 11.138 0.000 0.000) 11.138 8.264 ( 6.477 0.000 0.000) 6.477 8.406 ( 1.723 0.000 0.000) 1.723 8.442 ( -1.834 0.000 0.000) 1.834 8.712 ( 5.773 0.000 0.000) 5.773 8.937 ( -11.470 0.000 0.000) 11.470 9.129 ( 0.626 0.000 0.000) 0.626 9.141 ( -0.507 0.000 0.000) 0.507 10.790 ( 6.976 0.000 0.000) 6.976 10.959 ( -9.883 0.000 0.000) 9.883 11.740 ( 3.811 0.000 0.000) 3.811 11.825 ( -5.322 0.000 0.000) 5.322 12.095 ( 0.521 0.000 0.000) 0.521 12.105 ( -0.388 0.000 0.000) 0.388 12.192 ( 0.068 0.000 0.000) 0.068 12.195 ( -0.200 0.000 0.000) 0.200 13.250 ( 9.344 0.000 0.000) 9.344 13.453 ( -11.123 0.000 0.000) 11.123 14.539 ( 9.080 0.000 0.000) 9.080 14.682 ( -5.021 0.000 0.000) 5.021 15.569 ( 3.941 0.000 0.000) 3.941 15.633 ( -2.610 0.000 0.000) 2.610 16.127 ( 3.888 0.000 0.000) 3.888 16.212 ( -4.579 0.000 0.000) 4.579 19.451 ( 0.922 0.000 0.000) 0.922 19.472 ( -1.218 0.000 0.000) 1.218 27.436 ( 1.426 0.000 0.000) 1.426 27.466 ( -1.483 0.000 0.000) 1.483 28.779 ( 1.348 0.000 0.000) 1.348 28.806 ( -1.291 0.000 0.000) 1.291 30.953 ( 3.861 0.000 0.000) 3.861 31.034 ( -4.124 0.000 0.000) 4.124 32.297 ( 2.614 0.000 0.000) 2.614 32.347 ( -2.346 0.000 0.000) 2.346 86.028 ( 5.441 0.000 0.000) 5.441 86.155 ( -7.427 0.000 0.000) 7.427 86.954 ( 8.404 0.000 0.000) 8.404 87.101 ( -6.422 0.000 0.000) 6.422 ======================= Grid point 5 (4/162) ======================= q-point: ( 0.00 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 0.000 36.978 0.000) 36.978 0.887 ( 0.000 45.156 0.000) 45.156 1.693 ( 0.000 85.958 0.000) 85.958 3.220 ( 0.000 10.903 0.000) 10.903 3.928 ( 0.000 21.237 0.000) 21.237 4.314 ( 0.000 23.336 0.000) 23.336 5.447 ( 0.000 5.174 0.000) 5.174 5.749 ( 0.000 25.606 0.000) 25.606 6.503 ( 0.000 7.721 0.000) 7.721 7.198 ( 0.000 5.511 0.000) 5.511 7.289 ( 0.000 -1.518 0.000) 1.518 7.885 ( 0.000 1.439 0.000) 1.439 8.507 ( 0.000 2.247 0.000) 2.247 8.707 ( 0.000 -6.997 0.000) 6.997 9.106 ( 0.000 -4.143 0.000) 4.143 9.238 ( 0.000 8.459 0.000) 8.459 9.297 ( 0.000 14.226 0.000) 14.226 9.842 ( 0.000 0.365 0.000) 0.365 10.115 ( 0.000 -0.975 0.000) 0.975 10.629 ( 0.000 -2.336 0.000) 2.336 11.451 ( 0.000 -4.257 0.000) 4.257 11.621 ( 0.000 0.297 0.000) 0.297 11.833 ( 0.000 -10.735 0.000) 10.735 11.921 ( 0.000 -14.175 0.000) 14.175 12.218 ( 0.000 10.287 0.000) 10.287 12.490 ( 0.000 19.157 0.000) 19.157 12.981 ( 0.000 -3.089 0.000) 3.089 13.736 ( 0.000 -2.352 0.000) 2.352 14.482 ( 0.000 16.860 0.000) 16.860 14.679 ( 0.000 -5.934 0.000) 5.934 15.419 ( 0.000 -3.429 0.000) 3.429 15.732 ( 0.000 5.361 0.000) 5.361 15.974 ( 0.000 -6.489 0.000) 6.489 18.298 ( 0.000 -6.565 0.000) 6.565 18.823 ( 0.000 -2.628 0.000) 2.628 19.310 ( 0.000 -12.327 0.000) 12.327 27.496 ( 0.000 9.066 0.000) 9.066 28.710 ( 0.000 3.478 0.000) 3.478 28.762 ( 0.000 1.435 0.000) 1.435 28.854 ( 0.000 1.874 0.000) 1.874 29.788 ( 0.000 5.302 0.000) 5.302 30.862 ( 0.000 -0.544 0.000) 0.544 32.208 ( 0.000 -2.605 0.000) 2.605 32.343 ( 0.000 -5.419 0.000) 5.419 85.910 ( 0.000 -0.757 0.000) 0.757 86.086 ( 0.000 -1.154 0.000) 1.154 86.383 ( 0.000 -2.979 0.000) 2.979 86.628 ( 0.000 -4.525 0.000) 4.525 ======================= Grid point 6 (5/162) ======================= q-point: ( 0.20 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 32.280 22.233 0.000) 39.196 1.350 ( 35.055 32.517 0.000) 47.814 2.208 ( 46.735 62.010 0.000) 77.649 2.992 ( -19.331 10.417 0.000) 21.959 3.474 ( -32.071 21.731 0.000) 38.740 4.671 ( 22.134 23.751 0.000) 32.466 5.483 ( -1.204 18.186 0.000) 18.226 5.792 ( -53.156 12.669 0.000) 54.644 5.863 ( 14.189 10.096 0.000) 17.414 7.049 ( -12.385 0.072 0.000) 12.385 7.811 ( 30.509 -0.456 0.000) 30.512 7.920 ( 4.348 -0.008 0.000) 4.348 8.501 ( -0.654 2.985 0.000) 3.056 8.666 ( -3.135 -5.932 0.000) 6.710 8.850 ( -27.286 24.799 0.000) 36.872 9.062 ( -4.717 -3.632 0.000) 5.953 9.262 ( -0.107 11.333 0.000) 11.333 9.295 ( -0.213 14.233 0.000) 14.235 10.666 ( 3.621 -2.111 0.000) 4.191 10.966 ( 11.599 -17.396 0.000) 20.908 11.533 ( 10.366 -16.683 0.000) 19.641 11.700 ( 7.301 -7.510 0.000) 10.474 11.787 ( -3.636 -9.460 0.000) 10.135 11.928 ( 0.171 -14.526 0.000) 14.527 12.235 ( 1.729 10.868 0.000) 11.005 12.444 ( -3.919 18.204 0.000) 18.621 13.054 ( 6.888 -3.472 0.000) 7.713 13.690 ( -6.923 -1.181 0.000) 7.023 14.550 ( 6.141 14.892 0.000) 16.108 14.692 ( 2.054 -5.292 0.000) 5.677 15.453 ( 3.208 -3.809 0.000) 4.980 15.695 ( -3.145 1.854 0.000) 3.651 16.044 ( 6.597 -0.569 0.000) 6.621 17.199 ( -49.826 44.454 0.000) 66.774 19.242 ( 9.944 -18.713 0.000) 21.191 19.313 ( 0.338 -12.344 0.000) 12.348 27.511 ( 1.546 9.647 0.000) 9.770 27.945 ( -26.347 29.923 0.000) 39.869 28.774 ( 0.889 1.731 0.000) 1.946 28.846 ( -0.786 1.861 0.000) 2.020 30.632 ( 28.923 -26.637 0.000) 39.320 30.877 ( 1.437 -1.264 0.000) 1.914 32.216 ( 1.125 -3.106 0.000) 3.303 32.331 ( -1.239 -5.291 0.000) 5.434 85.938 ( 2.803 -0.802 0.000) 2.916 86.288 ( -7.371 -2.152 0.000) 7.678 86.611 ( 25.654 -30.140 0.000) 39.580 86.717 ( 6.664 -6.451 0.000) 9.275 ======================= Grid point 7 (6/162) ======================= q-point: ( 0.40 0.06 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 35.269 12.401 0.000) 37.386 2.066 ( 36.888 26.544 0.000) 45.446 2.406 ( -28.891 11.306 0.000) 31.025 2.798 ( -36.296 23.386 0.000) 43.178 3.413 ( 61.776 33.097 0.000) 70.083 4.644 ( -61.306 20.144 0.000) 64.531 5.070 ( 16.836 25.825 0.000) 30.828 5.351 ( -11.202 25.891 0.000) 28.210 6.262 ( 23.739 0.875 0.000) 23.755 6.715 ( -21.120 -0.140 0.000) 21.120 8.057 ( 8.748 -4.611 0.000) 9.889 8.172 ( 2.160 -6.722 0.000) 7.060 8.513 ( 2.739 5.853 0.000) 6.462 8.581 ( -5.663 12.001 0.000) 13.270 8.686 ( 8.462 -1.594 0.000) 8.611 8.913 ( -10.698 -2.273 0.000) 10.937 9.273 ( 0.826 12.337 0.000) 12.364 9.288 ( -0.609 13.783 0.000) 13.796 10.767 ( 6.687 -2.146 0.000) 7.023 10.919 ( -7.941 -3.923 0.000) 8.857 11.668 ( 3.549 -7.049 0.000) 7.892 11.722 ( -2.737 -6.850 0.000) 7.376 11.850 ( 5.732 -19.998 0.000) 20.803 11.916 ( -1.621 -16.697 0.000) 16.775 12.286 ( 3.347 12.461 0.000) 12.902 12.361 ( -4.235 15.301 0.000) 15.876 13.232 ( 11.053 -2.455 0.000) 11.322 13.475 ( -13.111 -0.303 0.000) 13.114 14.674 ( 5.286 8.966 0.000) 10.408 14.727 ( 0.097 0.655 0.000) 0.662 15.533 ( 4.657 -4.096 0.000) 6.202 15.622 ( -4.235 -2.179 0.000) 4.762 16.226 ( 12.283 11.360 0.000) 16.731 16.548 ( -21.877 28.247 0.000) 35.728 19.322 ( 0.446 -12.614 0.000) 12.622 19.322 ( 0.882 -14.037 0.000) 14.065 27.559 ( 3.457 11.825 0.000) 12.320 27.660 ( -7.699 17.492 0.000) 19.111 28.797 ( 1.375 1.778 0.000) 2.248 28.825 ( -1.315 1.826 0.000) 2.250 30.895 ( 3.969 -11.409 0.000) 12.080 30.908 ( 1.277 -4.038 0.000) 4.235 32.252 ( 2.290 -4.233 0.000) 4.813 32.297 ( -2.154 -4.917 0.000) 5.368 86.018 ( 5.304 -0.973 0.000) 5.392 86.141 ( -7.132 -1.376 0.000) 7.264 86.834 ( 4.571 -11.025 0.000) 11.935 86.860 ( 3.276 -19.740 0.000) 20.010 ======================= Grid point 10 (7/162) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.000 42.542 0.000) 42.542 1.758 ( 0.000 44.064 0.000) 44.064 3.320 ( 0.000 73.959 0.000) 73.959 3.539 ( 0.000 27.447 0.000) 27.447 4.423 ( 0.000 26.602 0.000) 26.602 4.849 ( 0.000 27.652 0.000) 27.652 5.464 ( 0.000 -0.301 0.000) 0.301 6.544 ( 0.000 50.431 0.000) 50.431 6.773 ( 0.000 21.092 0.000) 21.092 7.247 ( 0.000 -2.778 0.000) 2.778 7.354 ( 0.000 9.570 0.000) 9.570 7.929 ( 0.000 3.150 0.000) 3.150 8.566 ( 0.000 3.369 0.000) 3.369 8.655 ( 0.000 3.598 0.000) 3.598 8.989 ( 0.000 -7.728 0.000) 7.728 9.453 ( 0.000 12.657 0.000) 12.657 9.599 ( 0.000 16.293 0.000) 16.293 9.862 ( 0.000 1.993 0.000) 1.993 10.085 ( 0.000 -2.080 0.000) 2.080 10.576 ( 0.000 -2.661 0.000) 2.661 11.350 ( 0.000 -5.818 0.000) 5.818 11.615 ( 0.000 -15.983 0.000) 15.983 11.627 ( 0.000 0.352 0.000) 0.352 11.678 ( 0.000 -5.027 0.000) 5.027 12.480 ( 0.000 15.701 0.000) 15.701 12.866 ( 0.000 18.574 0.000) 18.574 12.895 ( 0.000 -5.468 0.000) 5.468 13.671 ( 0.000 -4.181 0.000) 4.181 14.518 ( 0.000 -10.078 0.000) 10.078 14.745 ( 0.000 6.992 0.000) 6.992 15.324 ( 0.000 -6.070 0.000) 6.070 15.799 ( 0.000 -11.011 0.000) 11.011 15.955 ( 0.000 17.897 0.000) 17.897 18.112 ( 0.000 -12.281 0.000) 12.281 18.742 ( 0.000 -5.808 0.000) 5.808 18.975 ( 0.000 -21.304 0.000) 21.304 27.739 ( 0.000 15.174 0.000) 15.174 28.803 ( 0.000 2.741 0.000) 2.741 28.808 ( 0.000 6.339 0.000) 6.339 28.903 ( 0.000 3.013 0.000) 3.013 29.938 ( 0.000 9.834 0.000) 9.834 30.855 ( 0.000 0.070 0.000) 0.070 32.134 ( 0.000 -4.828 0.000) 4.828 32.197 ( 0.000 -9.262 0.000) 9.262 85.890 ( 0.000 -1.303 0.000) 1.303 86.054 ( 0.000 -2.064 0.000) 2.064 86.306 ( 0.000 -4.602 0.000) 4.602 86.513 ( 0.000 -6.798 0.000) 6.798 ======================= Grid point 11 (8/162) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 19.637 36.724 0.000) 41.645 2.030 ( 24.927 36.755 0.000) 44.411 3.251 ( -20.023 22.884 0.000) 30.408 3.642 ( 24.793 72.236 0.000) 76.373 3.961 ( -32.294 25.241 0.000) 40.988 5.226 ( 23.428 29.471 0.000) 37.648 5.629 ( 14.469 1.136 0.000) 14.513 6.196 ( -42.814 29.036 0.000) 51.731 6.489 ( -4.759 46.813 0.000) 47.054 7.057 ( -12.463 0.883 0.000) 12.494 7.805 ( 23.041 -0.016 0.000) 23.041 7.946 ( 2.002 2.578 0.000) 3.264 8.577 ( 1.212 2.128 0.000) 2.449 8.640 ( -0.353 7.238 0.000) 7.246 8.962 ( -3.051 -6.358 0.000) 7.053 9.179 ( -26.436 11.833 0.000) 28.964 9.532 ( -0.704 14.536 0.000) 14.553 9.599 ( -0.074 16.204 0.000) 16.204 10.620 ( 4.108 -2.139 0.000) 4.632 10.659 ( 23.121 -11.938 0.000) 26.021 11.317 ( -0.786 -7.598 0.000) 7.638 11.613 ( -0.168 -15.569 0.000) 15.570 11.651 ( 1.550 -0.792 0.000) 1.741 11.654 ( -2.250 -4.825 0.000) 5.324 12.505 ( 2.539 15.859 0.000) 16.061 12.811 ( -5.137 17.714 0.000) 18.444 12.963 ( 6.832 -4.936 0.000) 8.428 13.629 ( -5.929 -4.460 0.000) 7.419 14.541 ( 3.590 -9.673 0.000) 10.318 14.760 ( 0.948 4.352 0.000) 4.454 15.348 ( 2.294 -6.675 0.000) 7.058 15.664 ( -8.195 -6.792 0.000) 10.643 16.171 ( 16.352 15.084 0.000) 22.247 17.670 ( -32.826 8.401 0.000) 33.884 18.900 ( 8.043 -15.849 0.000) 17.774 18.981 ( 0.578 -20.945 0.000) 20.953 27.766 ( 2.867 15.777 0.000) 16.035 28.418 ( -24.423 19.067 0.000) 30.985 28.821 ( 0.912 3.019 0.000) 3.154 28.895 ( -0.809 3.007 0.000) 3.114 30.338 ( 25.458 -4.989 0.000) 25.942 30.854 ( -0.276 -0.738 0.000) 0.788 32.135 ( 0.183 -5.169 0.000) 5.172 32.189 ( -0.773 -8.918 0.000) 8.952 85.916 ( 2.677 -1.371 0.000) 3.007 86.231 ( -6.097 -3.451 0.000) 7.006 86.245 ( 15.164 -10.943 0.000) 18.700 86.559 ( 3.073 -8.977 0.000) 9.489 ======================= Grid point 12 (9/162) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 28.585 27.938 0.000) 39.971 2.607 ( 26.567 28.421 0.000) 38.905 2.750 ( -22.764 22.845 0.000) 32.250 3.298 ( -34.654 25.312 0.000) 42.914 4.339 ( 43.344 57.990 0.000) 72.398 5.237 ( -44.413 39.163 0.000) 59.213 5.691 ( 13.786 33.806 0.000) 36.509 5.858 ( 2.589 16.581 0.000) 16.782 6.459 ( 6.420 25.966 0.000) 26.748 6.745 ( -18.165 4.742 0.000) 18.774 8.012 ( 4.350 -0.250 0.000) 4.357 8.059 ( 2.513 -4.325 0.000) 5.002 8.632 ( 4.966 2.886 0.000) 5.744 8.708 ( 7.729 8.030 0.000) 11.146 8.790 ( -12.054 6.693 0.000) 13.787 8.874 ( -7.630 1.600 0.000) 7.796 9.559 ( 2.054 15.636 0.000) 15.770 9.591 ( -0.959 16.177 0.000) 16.206 10.721 ( 5.937 -2.041 0.000) 6.278 10.824 ( -2.669 -4.959 0.000) 5.632 11.410 ( 8.644 -14.694 0.000) 17.047 11.559 ( -5.773 -14.601 0.000) 15.701 11.642 ( 1.210 -4.801 0.000) 4.951 11.664 ( -0.439 -2.670 0.000) 2.706 12.578 ( 4.908 16.296 0.000) 17.019 12.692 ( -6.389 16.961 0.000) 18.124 13.155 ( 12.413 -4.702 0.000) 13.274 13.423 ( -13.763 -4.389 0.000) 14.446 14.658 ( 6.724 -7.060 0.000) 9.750 14.752 ( -2.404 -1.397 0.000) 2.780 15.412 ( 4.285 -7.940 0.000) 9.023 15.519 ( -6.546 -8.227 0.000) 10.513 16.552 ( 22.484 19.308 0.000) 29.636 17.053 ( -28.790 19.840 0.000) 34.964 18.988 ( 1.634 -18.927 0.000) 18.998 18.993 ( 0.513 -20.058 0.000) 20.064 27.857 ( 6.699 17.673 0.000) 18.900 28.047 ( -13.507 20.484 0.000) 24.536 28.845 ( 1.413 2.993 0.000) 3.309 28.873 ( -1.352 2.997 0.000) 3.288 30.699 ( 11.408 -6.996 0.000) 13.382 30.828 ( -3.001 -3.302 0.000) 4.462 32.146 ( 0.948 -6.414 0.000) 6.484 32.169 ( -1.220 -7.909 0.000) 8.002 85.992 ( 4.952 -1.640 0.000) 5.216 86.105 ( -6.383 -2.271 0.000) 6.775 86.497 ( 8.908 -15.734 0.000) 18.080 86.588 ( -0.912 -12.874 0.000) 12.906 ======================= Grid point 15 (10/162) ======================= q-point: ( 0.00 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 0.000 44.450 0.000) 44.450 2.603 ( 0.000 42.416 0.000) 42.416 3.912 ( 0.000 22.983 0.000) 22.983 4.889 ( 0.000 20.312 0.000) 20.312 4.912 ( 0.000 75.508 0.000) 75.508 5.289 ( 0.000 16.598 0.000) 16.598 5.477 ( 0.000 1.973 0.000) 1.973 7.181 ( 0.000 -3.949 0.000) 3.949 7.342 ( 0.000 35.941 0.000) 35.941 7.511 ( 0.000 5.090 0.000) 5.090 7.575 ( 0.000 51.731 0.000) 51.731 8.009 ( 0.000 4.946 0.000) 4.946 8.617 ( 0.000 1.279 0.000) 1.279 8.811 ( 0.000 -10.102 0.000) 10.102 8.914 ( 0.000 23.142 0.000) 23.142 9.698 ( 0.000 12.002 0.000) 12.002 9.933 ( 0.000 18.308 0.000) 18.308 9.944 ( 0.000 7.333 0.000) 7.333 10.039 ( 0.000 -2.378 0.000) 2.378 10.549 ( 0.000 0.496 0.000) 0.496 11.232 ( 0.000 -6.090 0.000) 6.090 11.317 ( 0.000 -14.406 0.000) 14.406 11.631 ( 0.000 0.002 0.000) 0.002 11.634 ( 0.000 0.466 0.000) 0.466 12.780 ( 0.000 -5.909 0.000) 5.909 12.801 ( 0.000 16.334 0.000) 16.334 13.190 ( 0.000 14.111 0.000) 14.111 13.579 ( 0.000 -5.008 0.000) 5.008 14.308 ( 0.000 -10.688 0.000) 10.688 14.759 ( 0.000 -3.853 0.000) 3.853 15.190 ( 0.000 -7.520 0.000) 7.520 15.565 ( 0.000 -12.352 0.000) 12.352 16.358 ( 0.000 20.721 0.000) 20.721 17.829 ( 0.000 -16.391 0.000) 16.391 18.504 ( 0.000 -26.280 0.000) 26.280 18.591 ( 0.000 -9.761 0.000) 9.761 28.064 ( 0.000 17.553 0.000) 17.553 28.868 ( 0.000 3.885 0.000) 3.885 28.950 ( 0.000 8.003 0.000) 8.003 28.965 ( 0.000 3.217 0.000) 3.217 30.162 ( 0.000 12.919 0.000) 12.919 30.872 ( 0.000 1.838 0.000) 1.838 31.996 ( 0.000 -10.946 0.000) 10.946 32.024 ( 0.000 -6.372 0.000) 6.372 85.862 ( 0.000 -1.510 0.000) 1.510 86.008 ( 0.000 -2.579 0.000) 2.579 86.214 ( 0.000 -4.604 0.000) 4.604 86.379 ( 0.000 -6.607 0.000) 6.607 ======================= Grid point 16 (11/162) ======================= q-point: ( 0.20 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 12.851 41.803 0.000) 43.734 2.765 ( 15.829 38.084 0.000) 41.243 3.705 ( -19.113 24.670 0.000) 31.208 4.400 ( -32.542 19.565 0.000) 37.971 5.079 ( 16.679 71.458 0.000) 73.378 5.650 ( 15.585 1.883 0.000) 15.698 5.709 ( 24.771 18.636 0.000) 30.999 6.828 ( -29.201 25.536 0.000) 38.792 7.134 ( -9.957 13.763 0.000) 16.987 7.445 ( -12.171 46.518 0.000) 48.084 7.819 ( 14.949 2.373 0.000) 15.137 8.018 ( 0.838 4.751 0.000) 4.825 8.602 ( -0.264 0.595 0.000) 0.651 8.829 ( 0.667 -6.604 0.000) 6.638 8.954 ( 2.915 24.029 0.000) 24.205 9.387 ( -22.378 10.757 0.000) 24.829 9.797 ( 1.410 12.187 0.000) 12.268 9.919 ( -1.106 16.612 0.000) 16.649 10.506 ( 21.925 -3.539 0.000) 22.209 10.609 ( 5.216 1.737 0.000) 5.498 11.184 ( -3.692 -6.267 0.000) 7.274 11.319 ( -0.191 -14.129 0.000) 14.130 11.620 ( -1.075 0.917 0.000) 1.413 11.646 ( 0.974 0.145 0.000) 0.985 12.820 ( 1.910 15.415 0.000) 15.533 12.821 ( 3.993 -6.660 0.000) 7.766 13.161 ( -2.339 15.043 0.000) 15.224 13.534 ( -5.816 -4.770 0.000) 7.522 14.337 ( 4.164 -10.628 0.000) 11.415 14.740 ( -2.197 -4.804 0.000) 5.283 15.201 ( 1.143 -8.153 0.000) 8.232 15.473 ( -7.689 -11.346 0.000) 13.706 16.522 ( 14.924 17.678 0.000) 23.136 17.654 ( -15.907 -8.076 0.000) 17.840 18.524 ( 1.901 -25.212 0.000) 25.283 18.615 ( 1.350 -13.861 0.000) 13.926 28.100 ( 3.760 17.833 0.000) 18.225 28.730 ( -15.860 13.590 0.000) 20.886 28.892 ( 0.356 4.240 0.000) 4.255 28.957 ( -0.775 3.266 0.000) 3.356 30.363 ( 15.749 6.099 0.000) 16.889 30.859 ( -1.517 1.432 0.000) 2.086 31.996 ( 0.053 -10.480 0.000) 10.480 32.018 ( -0.539 -6.694 0.000) 6.716 85.887 ( 2.526 -1.576 0.000) 2.978 86.094 ( 7.696 -5.640 0.000) 9.541 86.160 ( -4.656 -3.623 0.000) 5.900 86.389 ( 0.254 -8.029 0.000) 8.033 ======================= Grid point 17 (12/162) ======================= q-point: ( 0.40 0.19 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 21.723 35.893 0.000) 41.955 3.182 ( 22.944 30.189 0.000) 37.918 3.261 ( -21.434 28.929 0.000) 36.005 3.762 ( -31.658 22.732 0.000) 38.974 5.528 ( 27.648 60.275 0.000) 66.313 5.991 ( 16.858 2.657 0.000) 17.066 5.992 ( -5.771 28.012 0.000) 28.601 6.273 ( -20.447 28.779 0.000) 35.303 6.984 ( -0.989 21.000 0.000) 21.024 7.158 ( -15.136 36.811 0.000) 39.801 8.010 ( 4.618 -0.462 0.000) 4.641 8.036 ( 0.658 2.598 0.000) 2.680 8.647 ( 5.152 -0.124 0.000) 5.153 8.778 ( -6.405 -2.342 0.000) 6.820 9.004 ( 2.464 21.350 0.000) 21.492 9.085 ( -7.764 15.890 0.000) 17.686 9.848 ( 2.967 13.395 0.000) 13.720 9.895 ( -1.613 14.577 0.000) 14.666 10.717 ( 5.208 2.579 0.000) 5.811 10.764 ( 3.230 0.035 0.000) 3.230 11.170 ( 4.090 -10.298 0.000) 11.081 11.280 ( -4.518 -12.965 0.000) 13.729 11.618 ( 1.229 1.154 0.000) 1.686 11.648 ( -1.053 0.661 0.000) 1.244 12.869 ( 2.808 11.571 0.000) 11.907 12.896 ( 1.563 -0.647 0.000) 1.691 13.160 ( 4.631 9.566 0.000) 10.628 13.345 ( -11.909 -1.822 0.000) 12.048 14.484 ( 9.664 -9.938 0.000) 13.862 14.656 ( -6.801 -7.349 0.000) 10.013 15.238 ( 2.847 -9.561 0.000) 9.976 15.326 ( -6.353 -10.820 0.000) 12.547 16.877 ( 20.180 12.275 0.000) 23.621 17.283 ( -20.690 3.974 0.000) 21.068 18.572 ( 2.689 -22.450 0.000) 22.611 18.615 ( -1.383 -18.739 0.000) 18.790 28.216 ( 8.190 18.435 0.000) 20.172 28.427 ( -13.550 18.139 0.000) 22.641 28.911 ( 1.284 3.655 0.000) 3.874 28.937 ( -1.277 3.412 0.000) 3.643 30.642 ( 11.383 0.945 0.000) 11.422 30.799 ( -5.042 0.571 0.000) 5.075 31.999 ( 0.237 -9.236 0.000) 9.239 32.006 ( -0.535 -7.737 0.000) 7.755 85.957 ( 4.523 -1.844 0.000) 4.884 86.057 ( -5.479 -2.480 0.000) 6.015 86.255 ( 7.546 -9.506 0.000) 12.137 86.363 ( -3.320 -9.852 0.000) 10.396 ======================= Grid point 20 (13/162) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 0.000 42.408 0.000) 42.408 3.412 ( 0.000 40.400 0.000) 40.400 4.370 ( 0.000 23.551 0.000) 23.551 5.221 ( 0.000 14.350 0.000) 14.350 5.521 ( 0.000 8.239 0.000) 8.239 5.548 ( 0.000 5.299 0.000) 5.299 6.265 ( 0.000 61.102 0.000) 61.102 7.087 ( 0.000 -5.944 0.000) 5.944 7.550 ( 0.000 -0.215 0.000) 0.215 8.070 ( 0.000 34.250 0.000) 34.250 8.102 ( 0.000 2.992 0.000) 2.992 8.407 ( 0.000 29.585 0.000) 29.585 8.614 ( 0.000 0.241 0.000) 0.241 8.634 ( 0.000 -5.400 0.000) 5.400 9.458 ( 0.000 27.863 0.000) 27.863 9.915 ( 0.000 8.989 0.000) 8.989 10.007 ( 0.000 -0.313 0.000) 0.313 10.207 ( 0.000 22.260 0.000) 22.260 10.357 ( 0.000 26.728 0.000) 26.728 10.602 ( 0.000 4.571 0.000) 4.571 11.055 ( 0.000 -12.130 0.000) 12.130 11.126 ( 0.000 -4.003 0.000) 4.003 11.628 ( 0.000 -0.242 0.000) 0.242 11.698 ( 0.000 6.121 0.000) 6.121 12.685 ( 0.000 -3.186 0.000) 3.186 13.084 ( 0.000 11.861 0.000) 11.861 13.407 ( 0.000 8.136 0.000) 8.136 13.484 ( 0.000 -4.603 0.000) 4.603 14.133 ( 0.000 -6.502 0.000) 6.502 14.648 ( 0.000 -6.591 0.000) 6.591 15.038 ( 0.000 -7.909 0.000) 7.909 15.338 ( 0.000 -10.556 0.000) 10.556 16.693 ( 0.000 12.619 0.000) 12.619 17.487 ( 0.000 -18.198 0.000) 18.198 17.968 ( 0.000 -28.283 0.000) 28.283 18.357 ( 0.000 -14.247 0.000) 14.247 28.404 ( 0.000 16.833 0.000) 16.833 28.954 ( 0.000 4.841 0.000) 4.841 29.025 ( 0.000 2.869 0.000) 2.869 29.109 ( 0.000 8.035 0.000) 8.035 30.430 ( 0.000 14.193 0.000) 14.193 30.927 ( 0.000 3.698 0.000) 3.698 31.782 ( 0.000 -10.698 0.000) 10.698 31.891 ( 0.000 -7.094 0.000) 7.094 85.833 ( 0.000 -1.366 0.000) 1.366 85.956 ( 0.000 -2.677 0.000) 2.677 86.133 ( 0.000 -3.551 0.000) 3.551 86.263 ( 0.000 -5.152 0.000) 5.152 ======================= Grid point 21 (14/162) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( 9.097 40.926 0.000) 41.925 3.505 ( 9.444 37.606 0.000) 38.774 4.203 ( -15.110 25.970 0.000) 30.046 4.745 ( -29.242 16.525 0.000) 33.588 5.700 ( 13.727 3.994 0.000) 14.296 5.958 ( 24.275 7.840 0.000) 25.510 6.364 ( 9.643 57.089 0.000) 57.897 6.949 ( -10.976 -2.439 0.000) 11.244 7.558 ( -2.025 10.626 0.000) 10.817 8.019 ( -11.515 4.849 0.000) 12.495 8.061 ( 0.118 27.529 0.000) 27.529 8.228 ( -8.201 20.870 0.000) 22.424 8.580 ( -1.367 -2.367 0.000) 2.734 8.750 ( 4.492 -0.586 0.000) 4.530 9.501 ( 2.532 28.035 0.000) 28.149 9.648 ( -15.555 16.274 0.000) 22.512 9.989 ( 2.958 6.963 0.000) 7.565 10.264 ( -6.306 19.297 0.000) 20.301 10.563 ( 20.476 11.078 0.000) 23.280 10.711 ( 7.706 9.125 0.000) 11.943 11.070 ( 1.308 -10.646 0.000) 10.726 11.082 ( -4.102 -3.337 0.000) 5.288 11.656 ( 2.229 0.933 0.000) 2.416 11.691 ( -0.554 6.580 0.000) 6.604 12.706 ( 2.520 -4.512 0.000) 5.168 13.060 ( -2.724 7.984 0.000) 8.436 13.400 ( -0.549 9.367 0.000) 9.383 13.469 ( -2.057 -1.175 0.000) 2.369 14.155 ( 3.517 -7.232 0.000) 8.042 14.619 ( -3.336 -6.848 0.000) 7.618 15.038 ( 0.080 -8.445 0.000) 8.445 15.256 ( -7.225 -10.379 0.000) 12.647 16.787 ( 8.852 8.543 0.000) 12.303 17.415 ( -7.031 -15.190 0.000) 16.739 18.019 ( 4.880 -26.044 0.000) 26.497 18.337 ( -2.225 -15.142 0.000) 15.305 28.442 ( 3.951 16.804 0.000) 17.262 28.941 ( -3.752 7.129 0.000) 8.056 29.008 ( -6.303 8.597 0.000) 10.660 29.019 ( -0.580 3.024 0.000) 3.079 30.535 ( 9.067 10.728 0.000) 14.046 30.911 ( -1.807 3.732 0.000) 4.146 31.791 ( 0.916 -10.296 0.000) 10.336 31.879 ( -1.148 -7.361 0.000) 7.450 85.857 ( 2.400 -1.413 0.000) 2.785 86.003 ( 4.471 -3.855 0.000) 5.903 86.095 ( -3.506 -2.935 0.000) 4.572 86.253 ( -1.266 -5.844 0.000) 5.979 ======================= Grid point 22 (15/162) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.507 ( 16.000 36.896 0.000) 40.216 3.777 ( 18.116 30.768 0.000) 35.705 3.856 ( -18.847 31.320 0.000) 36.553 4.205 ( -25.241 22.912 0.000) 34.089 6.009 ( 16.041 1.622 0.000) 16.123 6.224 ( -1.139 3.301 0.000) 3.492 6.602 ( 12.834 43.870 0.000) 45.709 6.779 ( -5.513 15.438 0.000) 16.393 7.489 ( 0.117 24.660 0.000) 24.661 7.690 ( -17.679 15.430 0.000) 23.466 8.097 ( 2.835 13.292 0.000) 13.591 8.149 ( -2.469 11.685 0.000) 11.943 8.613 ( 4.751 -3.754 0.000) 6.055 8.730 ( -5.517 -3.199 0.000) 6.377 9.484 ( -1.605 23.954 0.000) 24.008 9.506 ( -1.772 27.424 0.000) 27.481 10.067 ( 4.561 8.869 0.000) 9.973 10.157 ( -4.724 12.675 0.000) 13.527 10.845 ( 5.751 9.297 0.000) 10.932 10.879 ( 8.870 12.553 0.000) 15.370 11.000 ( -1.692 -6.656 0.000) 6.868 11.073 ( -2.485 -6.194 0.000) 6.674 11.686 ( 0.195 6.134 0.000) 6.137 11.687 ( 0.602 3.641 0.000) 3.691 12.800 ( 7.198 -5.805 0.000) 9.247 12.959 ( -7.661 -1.441 0.000) 7.796 13.392 ( -0.065 10.966 0.000) 10.966 13.413 ( -2.515 7.605 0.000) 8.010 14.297 ( 10.314 -8.515 0.000) 13.375 14.500 ( -8.934 -7.837 0.000) 11.884 15.050 ( 1.511 -9.525 0.000) 9.644 15.116 ( -5.673 -10.312 0.000) 11.770 17.001 ( 12.044 0.246 0.000) 12.047 17.232 ( -11.083 -8.223 0.000) 13.800 18.139 ( 6.842 -21.396 0.000) 22.464 18.263 ( -5.317 -17.477 0.000) 18.268 28.559 ( 7.971 16.439 0.000) 18.269 28.750 ( -11.162 14.769 0.000) 18.513 28.987 ( 0.713 4.164 0.000) 4.224 29.004 ( -0.907 3.466 0.000) 3.582 30.718 ( 8.511 6.245 0.000) 10.556 30.848 ( -4.771 4.212 0.000) 6.364 31.816 ( 1.589 -9.284 0.000) 9.419 31.850 ( -1.736 -8.151 0.000) 8.334 85.923 ( 4.150 -1.612 0.000) 4.452 86.012 ( -4.692 -2.099 0.000) 5.140 86.108 ( 5.630 -5.821 0.000) 8.098 86.204 ( -3.824 -6.521 0.000) 7.560 ======================= Grid point 25 (16/162) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( 0.000 37.761 0.000) 37.761 4.179 ( 0.000 38.144 0.000) 38.144 4.819 ( 0.000 22.121 0.000) 22.121 5.475 ( 0.000 12.250 0.000) 12.250 5.642 ( 0.000 4.604 0.000) 4.604 5.675 ( 0.000 7.355 0.000) 7.355 6.940 ( 0.000 -9.262 0.000) 9.262 7.176 ( 0.000 28.076 0.000) 28.076 7.534 ( 0.000 -0.817 0.000) 0.817 8.044 ( 0.000 -7.017 0.000) 7.017 8.326 ( 0.000 -5.882 0.000) 5.882 8.695 ( 0.000 2.482 0.000) 2.482 8.756 ( 0.000 18.612 0.000) 18.612 8.920 ( 0.000 28.440 0.000) 28.440 9.867 ( 0.000 13.718 0.000) 13.718 10.014 ( 0.000 1.570 0.000) 1.570 10.050 ( 0.000 5.312 0.000) 5.312 10.692 ( 0.000 3.598 0.000) 3.598 10.723 ( 0.000 18.799 0.000) 18.799 10.785 ( 0.000 -3.917 0.000) 3.917 11.057 ( 0.000 30.705 0.000) 30.705 11.179 ( 0.000 17.200 0.000) 17.200 11.634 ( 0.000 1.466 0.000) 1.466 11.867 ( 0.000 10.422 0.000) 10.422 12.695 ( 0.000 5.912 0.000) 5.912 13.246 ( 0.000 4.985 0.000) 4.985 13.406 ( 0.000 -3.201 0.000) 3.201 13.529 ( 0.000 5.447 0.000) 5.447 14.074 ( 0.000 0.308 0.000) 0.308 14.521 ( 0.000 -6.254 0.000) 6.254 14.885 ( 0.000 -7.756 0.000) 7.756 15.161 ( 0.000 -7.572 0.000) 7.572 16.836 ( 0.000 2.058 0.000) 2.058 17.139 ( 0.000 -16.821 0.000) 16.821 17.414 ( 0.000 -28.130 0.000) 28.130 18.035 ( 0.000 -18.559 0.000) 18.559 28.706 ( 0.000 13.851 0.000) 13.851 29.055 ( 0.000 5.482 0.000) 5.482 29.076 ( 0.000 2.395 0.000) 2.395 29.252 ( 0.000 6.330 0.000) 6.330 30.705 ( 0.000 13.732 0.000) 13.732 31.010 ( 0.000 4.628 0.000) 4.628 31.588 ( 0.000 -9.029 0.000) 9.029 31.752 ( 0.000 -7.089 0.000) 7.089 85.810 ( 0.000 -0.953 0.000) 0.953 85.906 ( 0.000 -2.441 0.000) 2.441 86.078 ( 0.000 -2.123 0.000) 2.123 86.178 ( 0.000 -3.572 0.000) 3.572 ======================= Grid point 26 (17/162) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.020 ( 6.867 36.952 0.000) 37.585 4.227 ( 4.945 36.135 0.000) 36.472 4.705 ( -10.412 25.121 0.000) 27.193 5.062 ( -23.005 16.087 0.000) 28.072 5.791 ( 10.592 5.010 0.000) 11.717 6.051 ( 21.192 2.419 0.000) 21.329 6.850 ( -6.272 -7.467 0.000) 9.751 7.179 ( -0.444 22.136 0.000) 22.140 7.613 ( 6.336 -0.338 0.000) 6.345 7.975 ( -6.555 -4.272 0.000) 7.824 8.358 ( 3.295 -5.898 0.000) 6.756 8.610 ( -5.294 15.810 0.000) 16.672 8.760 ( -2.625 4.298 0.000) 5.036 8.809 ( -9.400 29.386 0.000) 30.853 9.907 ( 2.526 12.683 0.000) 12.932 9.952 ( -5.991 12.609 0.000) 13.960 10.071 ( 5.539 3.058 0.000) 6.327 10.600 ( -7.938 11.427 0.000) 13.913 10.807 ( 1.820 -5.518 0.000) 5.810 10.824 ( 6.199 5.566 0.000) 8.331 11.145 ( 7.476 25.284 0.000) 26.366 11.206 ( 3.093 22.813 0.000) 23.022 11.702 ( 6.009 4.936 0.000) 7.777 11.876 ( 0.687 11.734 0.000) 11.755 12.682 ( -0.482 3.589 0.000) 3.621 13.130 ( -9.666 0.737 0.000) 9.695 13.477 ( 4.734 0.679 0.000) 4.782 13.541 ( 1.026 5.960 0.000) 6.048 14.077 ( 1.428 -0.649 0.000) 1.568 14.491 ( -3.414 -6.084 0.000) 6.976 14.875 ( -0.765 -8.194 0.000) 8.230 15.077 ( -7.618 -7.977 0.000) 11.031 16.839 ( 1.222 -3.275 0.000) 3.495 17.103 ( -3.583 -15.802 0.000) 16.203 17.528 ( 10.071 -23.639 0.000) 25.695 18.011 ( -2.719 -18.389 0.000) 18.588 28.742 ( 3.648 13.636 0.000) 14.116 29.054 ( -0.270 5.383 0.000) 5.390 29.075 ( -0.154 2.672 0.000) 2.677 29.179 ( -6.651 7.849 0.000) 10.288 30.759 ( 4.882 11.779 0.000) 12.750 30.997 ( -1.391 4.928 0.000) 5.121 31.603 ( 1.521 -8.808 0.000) 8.939 31.736 ( -1.574 -7.240 0.000) 7.409 85.834 ( 2.323 -0.973 0.000) 2.518 85.938 ( 3.148 -2.892 0.000) 4.275 86.049 ( -2.808 -1.825 0.000) 3.349 86.159 ( -1.944 -3.855 0.000) 4.317 ======================= Grid point 27 (18/162) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.207 ( 11.826 34.476 0.000) 36.448 4.380 ( 10.910 30.791 0.000) 32.667 4.461 ( -13.426 30.325 0.000) 33.165 4.660 ( -17.626 23.612 0.000) 29.465 6.038 ( 13.397 1.280 0.000) 13.458 6.244 ( -4.079 -0.432 0.000) 4.102 6.875 ( 11.034 -3.278 0.000) 11.511 7.106 ( -8.460 6.676 0.000) 10.777 7.729 ( 5.151 3.360 0.000) 6.150 7.834 ( -6.459 3.543 0.000) 7.367 8.452 ( 5.923 -3.724 0.000) 6.997 8.534 ( -2.393 17.849 0.000) 18.009 8.639 ( -5.950 27.060 0.000) 27.706 8.652 ( -6.502 2.579 0.000) 6.995 9.899 ( 0.354 14.460 0.000) 14.465 9.923 ( -0.930 12.381 0.000) 12.416 10.220 ( 9.310 9.110 0.000) 13.026 10.416 ( -10.229 13.846 0.000) 17.215 10.850 ( 2.325 -4.802 0.000) 5.336 10.880 ( -0.138 -4.106 0.000) 4.109 11.278 ( 4.439 22.578 0.000) 23.010 11.284 ( 3.341 25.066 0.000) 25.288 11.819 ( 4.844 11.152 0.000) 12.159 11.876 ( -1.140 13.541 0.000) 13.588 12.725 ( 5.867 -0.737 0.000) 5.913 12.909 ( -11.797 -1.957 0.000) 11.958 13.546 ( 1.950 4.777 0.000) 5.160 13.558 ( 0.423 6.450 0.000) 6.464 14.174 ( 8.636 -3.895 0.000) 9.474 14.368 ( -9.250 -5.593 0.000) 10.810 14.869 ( 0.729 -8.951 0.000) 8.980 14.929 ( -5.838 -8.983 0.000) 10.713 16.901 ( 4.848 -9.464 0.000) 10.634 17.009 ( -5.617 -13.263 0.000) 14.403 17.743 ( 10.715 -19.349 0.000) 22.118 17.919 ( -6.884 -18.215 0.000) 19.472 28.847 ( 6.868 12.787 0.000) 14.515 28.997 ( -7.479 10.247 0.000) 12.686 29.071 ( -0.139 3.438 0.000) 3.441 29.075 ( -1.172 5.062 0.000) 5.196 30.865 ( 5.322 8.397 0.000) 9.942 30.952 ( -3.360 6.041 0.000) 6.913 31.643 ( 2.490 -8.266 0.000) 8.633 31.694 ( -2.523 -7.668 0.000) 8.072 85.896 ( 3.902 -1.077 0.000) 4.047 85.978 ( -4.161 -1.358 0.000) 4.377 86.017 ( 4.540 -3.728 0.000) 5.875 86.102 ( -3.840 -4.110 0.000) 5.625 ======================= Grid point 30 (19/162) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.629 ( 0.000 31.458 0.000) 31.458 4.899 ( 0.000 35.463 0.000) 35.463 5.224 ( 0.000 19.147 0.000) 19.147 5.705 ( 0.000 1.757 0.000) 1.757 5.709 ( 0.000 11.800 0.000) 11.800 5.816 ( 0.000 6.571 0.000) 6.571 6.722 ( 0.000 -13.020 0.000) 13.020 7.269 ( 0.000 -14.493 0.000) 14.493 7.535 ( 0.000 1.252 0.000) 1.252 8.018 ( 0.000 4.527 0.000) 4.527 8.140 ( 0.000 -11.168 0.000) 11.168 8.615 ( 0.000 -8.600 0.000) 8.600 9.211 ( 0.000 23.233 0.000) 23.233 9.430 ( 0.000 22.263 0.000) 22.263 9.998 ( 0.000 -2.663 0.000) 2.663 10.031 ( 0.000 4.015 0.000) 4.015 10.227 ( 0.000 12.306 0.000) 12.306 10.666 ( 0.000 -4.593 0.000) 4.593 10.722 ( 0.000 -0.502 0.000) 0.502 10.812 ( 0.000 -2.129 0.000) 2.129 11.633 ( 0.000 21.634 0.000) 21.634 11.715 ( 0.000 7.659 0.000) 7.659 11.755 ( 0.000 30.497 0.000) 30.497 12.047 ( 0.000 6.394 0.000) 6.394 12.999 ( 0.000 26.565 0.000) 26.565 13.312 ( 0.000 2.783 0.000) 2.783 13.362 ( 0.000 -1.306 0.000) 1.306 13.668 ( 0.000 9.701 0.000) 9.701 14.120 ( 0.000 3.895 0.000) 3.895 14.405 ( 0.000 -5.693 0.000) 5.693 14.734 ( 0.000 -7.765 0.000) 7.765 15.025 ( 0.000 -7.331 0.000) 7.331 16.785 ( 0.000 -6.739 0.000) 6.739 16.860 ( 0.000 -10.875 0.000) 10.875 16.891 ( 0.000 -24.545 0.000) 24.545 17.642 ( 0.000 -21.387 0.000) 21.387 28.936 ( 0.000 9.516 0.000) 9.516 29.118 ( 0.000 1.803 0.000) 1.803 29.164 ( 0.000 5.578 0.000) 5.578 29.348 ( 0.000 3.305 0.000) 3.305 30.958 ( 0.000 12.014 0.000) 12.014 31.100 ( 0.000 4.441 0.000) 4.441 31.434 ( 0.000 -6.641 0.000) 6.641 31.616 ( 0.000 -6.783 0.000) 6.783 85.797 ( 0.000 -0.388 0.000) 0.388 85.862 ( 0.000 -1.995 0.000) 1.995 86.050 ( 0.000 -0.788 0.000) 0.788 86.121 ( 0.000 -2.385 0.000) 2.385 ======================= Grid point 31 (20/162) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.688 ( 5.841 31.275 0.000) 31.815 4.908 ( 1.253 33.284 0.000) 33.307 5.176 ( -5.005 23.207 0.000) 23.740 5.370 ( -15.381 15.024 0.000) 21.501 5.880 ( 6.383 3.557 0.000) 7.308 6.070 ( 16.705 -0.194 0.000) 16.706 6.660 ( -4.348 -11.900 0.000) 12.669 7.198 ( -7.313 -15.041 0.000) 16.724 7.607 ( 6.523 0.409 0.000) 6.536 7.984 ( -3.383 4.078 0.000) 5.299 8.170 ( 3.102 -11.264 0.000) 11.683 8.563 ( -5.224 -9.589 0.000) 10.920 9.160 ( -3.915 23.473 0.000) 23.797 9.341 ( -7.588 23.261 0.000) 24.467 10.006 ( -0.373 -2.878 0.000) 2.902 10.037 ( -0.118 1.998 0.000) 2.002 10.279 ( 6.521 14.357 0.000) 15.769 10.696 ( 0.889 -1.863 0.000) 2.064 10.725 ( 1.301 0.279 0.000) 1.331 10.819 ( 0.505 -2.655 0.000) 2.703 11.668 ( 3.583 21.938 0.000) 22.228 11.684 ( 1.648 18.103 0.000) 18.178 11.945 ( 12.269 21.132 0.000) 24.435 12.084 ( 3.455 7.525 0.000) 8.280 12.928 ( -6.109 23.155 0.000) 23.947 13.150 ( -11.038 2.215 0.000) 11.258 13.473 ( 6.424 -0.794 0.000) 6.473 13.682 ( 1.016 9.595 0.000) 9.649 14.108 ( -0.608 3.164 0.000) 3.222 14.380 ( -2.905 -5.474 0.000) 6.197 14.716 ( -1.525 -8.199 0.000) 8.339 14.925 ( -9.066 -8.487 0.000) 12.419 16.680 ( -3.023 -11.531 0.000) 11.920 16.836 ( -2.428 -10.483 0.000) 10.760 17.113 ( 14.187 -18.913 0.000) 23.642 17.623 ( -2.165 -21.057 0.000) 21.168 28.967 ( 3.096 9.218 0.000) 9.724 29.122 ( 0.476 2.162 0.000) 2.214 29.158 ( -0.611 5.267 0.000) 5.302 29.299 ( -4.619 4.313 0.000) 6.319 30.982 ( 2.199 10.808 0.000) 11.030 31.094 ( -0.638 4.850 0.000) 4.892 31.452 ( 1.730 -6.641 0.000) 6.863 31.599 ( -1.707 -6.757 0.000) 6.969 85.820 ( 2.303 -0.381 0.000) 2.335 85.889 ( 2.645 -2.157 0.000) 3.413 86.024 ( -2.487 -0.678 0.000) 2.578 86.099 ( -2.219 -2.491 0.000) 3.336 ======================= Grid point 32 (21/162) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.843 ( 9.411 30.442 0.000) 31.863 4.965 ( 4.675 28.437 0.000) 28.819 5.034 ( -8.811 28.468 0.000) 29.801 5.116 ( -10.313 22.668 0.000) 24.903 6.049 ( 10.084 -0.517 0.000) 10.097 6.216 ( -4.011 -2.483 0.000) 4.717 6.710 ( 11.857 -12.644 0.000) 17.334 6.989 ( -13.652 -14.805 0.000) 20.139 7.753 ( 7.671 0.447 0.000) 7.684 7.890 ( -6.061 2.300 0.000) 6.482 8.266 ( 6.763 -11.379 0.000) 13.237 8.422 ( -8.480 -11.044 0.000) 13.924 9.118 ( 0.627 24.891 0.000) 24.899 9.192 ( -6.506 24.848 0.000) 25.686 9.996 ( 0.173 -1.415 0.000) 1.425 10.017 ( -1.563 -0.463 0.000) 1.630 10.458 ( 10.216 12.230 0.000) 15.936 10.630 ( -6.581 6.833 0.000) 9.487 10.785 ( 2.918 -1.813 0.000) 3.435 10.820 ( -0.669 -2.482 0.000) 2.571 11.747 ( 3.054 21.530 0.000) 21.745 11.749 ( 3.152 22.697 0.000) 22.915 12.136 ( 5.605 18.267 0.000) 19.108 12.155 ( 2.687 11.840 0.000) 12.142 12.835 ( -1.160 13.956 0.000) 14.004 12.929 ( -9.912 5.012 0.000) 11.107 13.604 ( 6.362 1.965 0.000) 6.659 13.684 ( -1.504 7.736 0.000) 7.881 14.135 ( 4.343 -0.596 0.000) 4.383 14.273 ( -7.916 -4.584 0.000) 9.147 14.695 ( 0.028 -9.172 0.000) 9.172 14.751 ( -6.504 -9.866 0.000) 11.817 16.690 ( 3.184 -10.326 0.000) 10.806 16.769 ( -4.186 -9.936 0.000) 10.782 17.370 ( 11.365 -19.190 0.000) 22.303 17.543 ( -6.290 -20.182 0.000) 21.140 29.052 ( 5.377 8.170 0.000) 9.780 29.137 ( 1.036 3.173 0.000) 3.338 29.138 ( -1.845 4.995 0.000) 5.325 29.190 ( -5.552 5.756 0.000) 7.998 31.031 ( 2.544 8.321 0.000) 8.701 31.073 ( -1.619 6.140 0.000) 6.350 31.497 ( 2.788 -6.656 0.000) 7.216 31.554 ( -2.773 -6.701 0.000) 7.252 85.882 ( 3.792 -0.395 0.000) 3.813 85.958 ( 4.084 -2.462 0.000) 4.769 85.959 ( -3.897 -0.494 0.000) 3.928 86.038 ( -3.830 -2.599 0.000) 4.629 ======================= Grid point 35 (22/162) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.170 ( 0.000 23.650 0.000) 23.650 5.541 ( 0.000 28.041 0.000) 28.041 5.553 ( 0.000 14.104 0.000) 14.104 5.694 ( 0.000 -3.531 0.000) 3.531 5.927 ( 0.000 6.375 0.000) 6.375 5.936 ( 0.000 11.482 0.000) 11.482 6.445 ( 0.000 -14.794 0.000) 14.794 6.840 ( 0.000 -26.506 0.000) 26.506 7.593 ( 0.000 4.891 0.000) 4.891 7.921 ( 0.000 -10.918 0.000) 10.918 8.123 ( 0.000 5.553 0.000) 5.553 8.420 ( 0.000 -10.201 0.000) 10.201 9.574 ( 0.000 14.116 0.000) 14.116 9.779 ( 0.000 13.658 0.000) 13.658 9.921 ( 0.000 -5.211 0.000) 5.211 10.050 ( 0.000 -1.595 0.000) 1.595 10.469 ( 0.000 10.891 0.000) 10.891 10.620 ( 0.000 -0.386 0.000) 0.386 10.686 ( 0.000 -2.631 0.000) 2.631 10.742 ( 0.000 -4.587 0.000) 4.587 11.899 ( 0.000 8.161 0.000) 8.161 11.940 ( 0.000 14.202 0.000) 14.202 12.090 ( 0.000 -1.484 0.000) 1.484 12.171 ( 0.000 10.645 0.000) 10.645 13.356 ( 0.000 0.625 0.000) 0.625 13.367 ( 0.000 2.206 0.000) 2.206 13.662 ( 0.000 37.687 0.000) 37.687 13.900 ( 0.000 12.929 0.000) 12.929 14.225 ( 0.000 7.144 0.000) 7.144 14.289 ( 0.000 -6.580 0.000) 6.580 14.576 ( 0.000 -8.620 0.000) 8.620 14.817 ( 0.000 -15.866 0.000) 15.866 16.512 ( 0.000 -12.389 0.000) 12.389 16.606 ( 0.000 -10.435 0.000) 10.435 16.750 ( 0.000 0.391 0.000) 0.391 17.225 ( 0.000 -20.459 0.000) 20.459 29.077 ( 0.000 5.014 0.000) 5.014 29.143 ( 0.000 0.698 0.000) 0.698 29.268 ( 0.000 4.841 0.000) 4.841 29.379 ( 0.000 -0.134 0.000) 0.134 31.171 ( 0.000 9.786 0.000) 9.786 31.180 ( 0.000 3.755 0.000) 3.755 31.326 ( 0.000 -4.521 0.000) 4.521 31.484 ( 0.000 -6.861 0.000) 6.861 85.795 ( 0.000 0.231 0.000) 0.231 85.828 ( 0.000 -1.445 0.000) 1.445 86.045 ( 0.000 0.243 0.000) 0.243 86.082 ( 0.000 -1.599 0.000) 1.599 ======================= Grid point 36 (23/162) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.231 ( 6.052 24.010 0.000) 24.761 5.471 ( -2.317 21.802 0.000) 21.924 5.614 ( -5.631 8.259 0.000) 9.995 5.642 ( 2.560 25.518 0.000) 25.646 5.913 ( 0.212 0.252 0.000) 0.329 6.059 ( 9.290 0.090 0.000) 9.290 6.398 ( -3.883 -14.208 0.000) 14.728 6.780 ( -6.038 -25.532 0.000) 26.236 7.646 ( 5.117 3.851 0.000) 6.404 7.950 ( 3.053 -10.818 0.000) 11.241 8.070 ( -5.182 4.630 0.000) 6.950 8.357 ( -6.165 -10.490 0.000) 12.167 9.539 ( -2.454 15.337 0.000) 15.532 9.708 ( -6.043 14.541 0.000) 15.746 9.921 ( -0.189 -5.716 0.000) 5.720 10.022 ( -2.754 -3.051 0.000) 4.110 10.520 ( 4.874 9.561 0.000) 10.732 10.669 ( 3.773 -0.197 0.000) 3.778 10.715 ( 2.283 -1.543 0.000) 2.756 10.752 ( 0.963 -4.071 0.000) 4.183 11.952 ( 5.377 8.956 0.000) 10.446 12.009 ( 6.607 16.613 0.000) 17.879 12.144 ( 5.274 -0.851 0.000) 5.342 12.279 ( 8.486 8.862 0.000) 12.269 13.231 ( -7.611 5.898 0.000) 9.629 13.447 ( 4.893 -2.501 0.000) 5.495 13.525 ( -12.223 34.114 0.000) 36.238 13.920 ( 0.729 14.106 0.000) 14.124 14.200 ( -2.220 6.643 0.000) 7.004 14.264 ( -2.876 -6.943 0.000) 7.515 14.550 ( -2.312 -8.962 0.000) 9.256 14.695 ( -10.676 -16.571 0.000) 19.712 16.489 ( 1.569 -5.322 0.000) 5.548 16.732 ( -1.925 0.665 0.000) 2.037 16.775 ( 11.898 -15.771 0.000) 19.756 17.211 ( -1.651 -20.308 0.000) 20.375 29.102 ( 2.461 4.697 0.000) 5.303 29.155 ( 1.192 1.061 0.000) 1.596 29.255 ( -1.273 4.455 0.000) 4.633 29.346 ( -3.140 0.536 0.000) 3.186 31.176 ( 0.416 9.005 0.000) 9.015 31.183 ( 0.204 4.172 0.000) 4.177 31.342 ( 1.524 -4.724 0.000) 4.964 31.470 ( -1.454 -6.617 0.000) 6.775 85.819 ( 2.330 0.256 0.000) 2.344 85.853 ( 2.464 -1.506 0.000) 2.888 86.021 ( -2.382 0.271 0.000) 2.398 86.059 ( -2.323 -1.635 0.000) 2.841 ======================= Grid point 37 (24/162) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.388 ( 9.048 24.919 0.000) 26.511 5.457 ( 0.679 21.525 0.000) 21.536 5.520 ( -3.427 17.721 0.000) 18.049 5.582 ( -7.486 27.273 0.000) 28.282 6.001 ( 7.806 -4.665 0.000) 9.094 6.144 ( -4.175 -4.812 0.000) 6.371 6.409 ( 8.227 -17.433 0.000) 19.277 6.614 ( -10.432 -22.421 0.000) 24.729 7.777 ( 7.868 2.593 0.000) 8.284 7.936 ( -7.946 3.015 0.000) 8.499 8.045 ( 6.708 -10.676 0.000) 12.609 8.202 ( -8.791 -10.692 0.000) 13.842 9.521 ( 1.224 16.524 0.000) 16.569 9.589 ( -5.350 16.006 0.000) 16.876 9.923 ( 0.839 -5.564 0.000) 5.627 9.961 ( -2.901 -4.750 0.000) 5.566 10.631 ( 5.468 5.706 0.000) 7.903 10.702 ( -1.242 1.742 0.000) 2.139 10.759 ( 1.801 -1.331 0.000) 2.240 10.770 ( 0.533 -2.756 0.000) 2.807 12.088 ( 6.884 11.764 0.000) 13.630 12.133 ( 3.434 16.947 0.000) 17.291 12.277 ( 7.488 1.396 0.000) 7.617 12.377 ( -0.606 5.227 0.000) 5.262 13.128 ( -0.426 14.632 0.000) 14.638 13.260 ( -12.562 26.773 0.000) 29.574 13.614 ( 12.762 -2.925 0.000) 13.093 13.864 ( -8.737 8.175 0.000) 11.965 14.157 ( -1.526 4.007 0.000) 4.288 14.175 ( -4.279 -4.717 0.000) 6.368 14.506 ( -1.575 -10.188 0.000) 10.309 14.522 ( -4.508 -13.649 0.000) 14.374 16.569 ( 5.502 -0.626 0.000) 5.537 16.671 ( -4.389 0.831 0.000) 4.467 16.997 ( 9.906 -18.494 0.000) 20.980 17.146 ( -5.290 -19.755 0.000) 20.451 29.167 ( 3.725 3.714 0.000) 5.260 29.190 ( 2.522 2.053 0.000) 3.252 29.221 ( -2.112 3.523 0.000) 4.108 29.267 ( -4.599 1.979 0.000) 5.007 31.184 ( 0.313 7.211 0.000) 7.218 31.186 ( 0.064 5.393 0.000) 5.393 31.382 ( 2.431 -5.277 0.000) 5.810 31.431 ( -2.387 -5.999 0.000) 6.457 85.881 ( 3.791 0.300 0.000) 3.803 85.918 ( 3.920 -1.621 0.000) 4.242 85.958 ( -3.821 0.309 0.000) 3.834 85.997 ( -3.835 -1.673 0.000) 4.185 ======================= Grid point 40 (25/162) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.536 ( 0.000 -13.386 0.000) 13.386 5.536 ( 0.000 13.386 0.000) 13.386 5.747 ( 0.000 -4.448 0.000) 4.448 5.747 ( 0.000 4.448 0.000) 4.448 6.170 ( 0.000 -12.924 0.000) 12.924 6.170 ( 0.000 12.924 0.000) 12.924 6.292 ( 0.000 -28.231 0.000) 28.231 6.292 ( 0.000 28.231 0.000) 28.231 7.727 ( 0.000 -8.650 0.000) 8.650 7.727 ( 0.000 8.651 0.000) 8.651 8.245 ( 0.000 -7.442 0.000) 7.442 8.245 ( 0.000 7.442 0.000) 7.442 9.790 ( 0.000 -8.502 0.000) 8.502 9.790 ( 0.000 8.502 0.000) 8.502 9.973 ( 0.000 -6.575 0.000) 6.575 9.973 ( 0.000 6.575 0.000) 6.575 10.635 ( 0.000 -6.536 0.000) 6.536 10.635 ( 0.000 6.536 0.000) 6.536 10.638 ( 0.000 -1.958 0.000) 1.958 10.638 ( 0.000 1.958 0.000) 1.958 12.021 ( 0.000 -4.971 0.000) 4.971 12.021 ( 0.000 4.971 0.000) 4.971 12.182 ( 0.000 -8.041 0.000) 8.041 12.182 ( 0.000 8.041 0.000) 8.041 13.377 ( 0.000 -0.966 0.000) 0.966 13.377 ( 0.000 0.967 0.000) 0.967 14.127 ( 0.000 -9.495 0.000) 9.495 14.127 ( 0.000 9.495 0.000) 9.495 14.358 ( 0.000 -30.582 0.000) 30.582 14.358 ( 0.000 30.582 0.000) 30.582 14.395 ( 0.000 -9.626 0.000) 9.626 14.395 ( 0.000 9.626 0.000) 9.626 16.442 ( 0.000 -4.295 0.000) 4.295 16.442 ( 0.000 4.295 0.000) 4.295 16.886 ( 0.000 -13.083 0.000) 13.083 16.886 ( 0.000 13.083 0.000) 13.083 29.138 ( 0.000 -1.471 0.000) 1.471 29.138 ( 0.000 1.471 0.000) 1.471 29.346 ( 0.000 -3.023 0.000) 3.023 29.346 ( 0.000 3.023 0.000) 3.023 31.250 ( 0.000 -3.536 0.000) 3.536 31.250 ( 0.000 3.536 0.000) 3.536 31.342 ( 0.000 -7.871 0.000) 7.871 31.342 ( 0.000 7.871 0.000) 7.871 85.806 ( 0.000 -0.849 0.000) 0.849 85.806 ( 0.000 0.849 0.000) 0.849 86.057 ( 0.000 -0.977 0.000) 0.977 86.057 ( 0.000 0.977 0.000) 0.977 ======================= Grid point 42 (26/162) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.592 ( 5.439 -11.343 0.000) 12.579 5.592 ( 5.439 11.343 0.000) 12.579 5.767 ( 1.770 -9.407 0.000) 9.572 5.767 ( 1.770 9.407 0.000) 9.572 6.149 ( -1.932 -9.845 0.000) 10.033 6.149 ( -1.932 9.845 0.000) 10.033 6.244 ( -4.544 -28.443 0.000) 28.804 6.244 ( -4.544 28.443 0.000) 28.804 7.762 ( 3.665 -8.015 0.000) 8.813 7.762 ( 3.665 8.015 0.000) 8.813 8.181 ( -6.175 -7.230 0.000) 9.508 8.181 ( -6.175 7.230 0.000) 9.508 9.776 ( -0.910 -9.433 0.000) 9.476 9.776 ( -0.910 9.433 0.000) 9.476 9.921 ( -4.533 -7.599 0.000) 8.848 9.921 ( -4.533 7.599 0.000) 8.848 10.660 ( 2.370 -5.491 0.000) 5.980 10.660 ( 2.370 5.491 0.000) 5.980 10.682 ( 3.473 -1.418 0.000) 3.751 10.682 ( 3.473 1.418 0.000) 3.751 12.081 ( 6.074 -4.976 0.000) 7.852 12.081 ( 6.074 4.976 0.000) 7.852 12.274 ( 7.558 -8.409 0.000) 11.306 12.274 ( 7.558 8.409 0.000) 11.306 13.357 ( -0.744 -6.318 0.000) 6.361 13.357 ( -0.744 6.318 0.000) 6.361 14.064 ( -9.396 -15.625 0.000) 18.232 14.064 ( -9.396 15.625 0.000) 18.232 14.271 ( -4.712 -23.747 0.000) 24.210 14.271 ( -4.712 23.747 0.000) 24.210 14.366 ( -2.724 -9.643 0.000) 10.021 14.366 ( -2.724 9.643 0.000) 10.021 16.524 ( 7.465 -8.575 0.000) 11.369 16.524 ( 7.465 8.575 0.000) 11.369 16.872 ( -1.589 -13.210 0.000) 13.306 16.872 ( -1.589 13.210 0.000) 13.306 29.157 ( 1.845 -1.150 0.000) 2.174 29.157 ( 1.845 1.150 0.000) 2.174 29.325 ( -2.087 -2.541 0.000) 3.288 29.325 ( -2.087 2.541 0.000) 3.288 31.260 ( 0.973 -3.884 0.000) 4.004 31.260 ( 0.973 3.884 0.000) 4.004 31.335 ( -0.762 -7.383 0.000) 7.422 31.335 ( -0.762 7.383 0.000) 7.422 85.830 ( 2.384 -0.884 0.000) 2.543 85.830 ( 2.384 0.884 0.000) 2.543 86.033 ( -2.357 -0.990 0.000) 2.556 86.033 ( -2.357 0.990 0.000) 2.556 ======================= Grid point 44 (27/162) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.720 ( 6.429 -2.773 0.000) 7.002 5.720 ( 6.429 2.773 0.000) 7.002 5.792 ( -0.368 -11.857 0.000) 11.863 5.792 ( -0.368 11.857 0.000) 11.863 6.111 ( -1.097 -7.598 0.000) 7.677 6.111 ( -1.097 7.598 0.000) 7.677 6.143 ( -4.518 -24.722 0.000) 25.131 6.143 ( -4.518 24.722 0.000) 25.132 7.869 ( 7.111 -6.968 0.000) 9.956 7.869 ( 7.111 6.968 0.000) 9.956 8.029 ( -8.656 -6.778 0.000) 10.994 8.029 ( -8.656 6.778 0.000) 10.994 9.776 ( 1.253 -9.901 0.000) 9.980 9.776 ( 1.253 9.901 0.000) 9.980 9.830 ( -4.112 -9.092 0.000) 9.979 9.830 ( -4.112 9.092 0.000) 9.979 10.712 ( 2.321 -3.269 0.000) 4.010 10.712 ( 2.321 3.269 0.000) 4.010 10.730 ( 0.792 -1.474 0.000) 1.674 10.730 ( 0.792 1.474 0.000) 1.674 12.241 ( 9.125 -4.712 0.000) 10.270 12.241 ( 9.125 4.712 0.000) 10.270 12.362 ( -1.084 -6.277 0.000) 6.370 12.362 ( -1.084 6.277 0.000) 6.370 13.434 ( 10.575 -14.586 0.000) 18.017 13.434 ( 10.575 14.586 0.000) 18.017 13.750 ( -19.175 -19.906 0.000) 27.639 13.750 ( -19.175 19.906 0.000) 27.639 14.255 ( 1.606 -12.082 0.000) 12.188 14.255 ( 1.606 12.082 0.000) 12.188 14.305 ( -3.144 -9.942 0.000) 10.427 14.305 ( -3.144 9.942 0.000) 10.427 16.686 ( 7.995 -12.091 0.000) 14.495 16.686 ( 7.995 12.091 0.000) 14.495 16.813 ( -4.715 -13.206 0.000) 14.022 16.813 ( -4.715 13.206 0.000) 14.022 29.206 ( 3.101 -0.526 0.000) 3.145 29.206 ( 3.101 0.526 0.000) 3.145 29.271 ( -3.250 -1.388 0.000) 3.534 29.271 ( -3.250 1.388 0.000) 3.534 31.285 ( 1.474 -4.856 0.000) 5.075 31.285 ( 1.474 4.856 0.000) 5.075 31.313 ( -1.344 -6.187 0.000) 6.331 31.313 ( -1.344 6.187 0.000) 6.331 85.893 ( 3.843 -0.953 0.000) 3.960 85.893 ( 3.843 0.954 0.000) 3.960 85.971 ( -3.827 -0.995 0.000) 3.954 85.971 ( -3.827 0.995 0.000) 3.954 ======================= Grid point 85 (28/162) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 0.000 0.000 38.292) 38.292 0.843 ( 0.000 0.000 42.852) 42.852 1.403 ( 0.000 0.000 71.427) 71.427 3.283 ( 0.000 0.000 16.498) 16.498 3.752 ( 0.000 0.000 5.130) 5.130 4.055 ( 0.000 0.000 -1.266) 1.266 5.275 ( 0.000 0.000 -2.165) 2.165 5.403 ( 0.000 0.000 -13.822) 13.822 6.694 ( 0.000 0.000 21.635) 21.635 7.045 ( 0.000 0.000 -12.036) 12.036 7.268 ( 0.000 0.000 -3.452) 3.452 7.961 ( 0.000 0.000 6.239) 6.239 8.367 ( 0.000 0.000 -0.116) 0.116 8.479 ( 0.000 0.000 -0.594) 0.594 9.113 ( 0.000 0.000 -0.018) 0.018 9.150 ( 0.000 0.000 -0.105) 0.105 9.209 ( 0.000 0.000 7.042) 7.042 9.715 ( 0.000 0.000 -4.119) 4.119 9.865 ( 0.000 0.000 2.331) 2.331 10.664 ( 0.000 0.000 0.788) 0.788 11.427 ( 0.000 0.000 -6.934) 6.934 11.603 ( 0.000 0.000 -1.412) 1.412 11.957 ( 0.000 0.000 -6.995) 6.995 12.082 ( 0.000 0.000 -0.008) 0.008 12.109 ( 0.000 0.000 -0.180) 0.180 12.193 ( 0.000 0.000 -0.034) 0.034 12.200 ( 0.000 0.000 -0.134) 0.134 13.479 ( 0.000 0.000 -18.203) 18.203 14.042 ( 0.000 0.000 14.724) 14.724 14.748 ( 0.000 0.000 0.138) 0.138 14.971 ( 0.000 0.000 -22.182) 22.182 16.110 ( 0.000 0.000 7.038) 7.038 16.154 ( 0.000 0.000 36.100) 36.100 18.335 ( 0.000 0.000 -2.828) 2.828 19.361 ( 0.000 0.000 -7.036) 7.036 19.755 ( 0.000 0.000 -3.012) 3.012 27.436 ( 0.000 0.000 3.210) 3.210 27.529 ( 0.000 0.000 3.022) 3.022 28.728 ( 0.000 0.000 -2.134) 2.134 28.810 ( 0.000 0.000 -2.575) 2.575 29.757 ( 0.000 0.000 2.302) 2.302 30.840 ( 0.000 0.000 -2.836) 2.836 32.225 ( 0.000 0.000 -0.909) 0.909 32.351 ( 0.000 0.000 -4.601) 4.601 85.964 ( 0.000 0.000 -6.793) 6.793 85.976 ( 0.000 0.000 5.705) 5.705 86.724 ( 0.000 0.000 24.571) 24.571 90.846 ( 0.000 0.000 -5.495) 5.495 ======================= Grid point 86 (29/162) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 33.631 0.000 23.972) 41.300 1.266 ( 30.684 0.000 30.146) 43.015 2.013 ( 54.020 0.000 46.652) 71.376 3.075 ( -18.448 0.000 15.936) 24.378 3.288 ( -31.814 0.000 4.923) 32.192 4.417 ( 21.383 0.000 -0.401) 21.387 5.221 ( -5.501 0.000 -2.047) 5.870 5.400 ( -14.874 0.000 -13.390) 20.013 6.145 ( -20.650 0.000 16.786) 26.612 6.999 ( -11.436 0.000 -4.927) 12.452 7.703 ( 25.659 0.000 -6.630) 26.502 8.056 ( 11.745 0.000 6.537) 13.441 8.377 ( 0.980 0.000 -0.156) 0.993 8.467 ( -1.152 0.000 -0.541) 1.273 9.023 ( -14.495 0.000 19.339) 24.168 9.118 ( 0.445 0.000 -0.034) 0.446 9.145 ( -6.468 0.000 5.715) 8.631 9.147 ( -0.262 0.000 -0.102) 0.281 10.649 ( 6.486 0.000 -6.448) 9.145 10.948 ( 9.894 0.000 -22.859) 24.909 11.442 ( 4.392 0.000 -16.598) 17.169 11.739 ( -1.928 0.000 -18.861) 18.960 12.086 ( 0.363 0.000 -0.013) 0.363 12.108 ( -0.125 0.000 -0.152) 0.196 12.192 ( -0.066 0.000 -0.056) 0.086 12.198 ( -0.169 0.000 -0.135) 0.216 12.248 ( 36.797 0.000 -22.330) 43.042 13.480 ( -4.030 0.000 -20.579) 20.970 14.169 ( 12.490 0.000 7.895) 14.776 14.705 ( -3.777 0.000 -4.108) 5.581 15.080 ( 9.867 0.000 -17.303) 19.919 15.829 ( -15.318 0.000 9.610) 18.083 16.416 ( 14.547 0.000 34.286) 37.244 17.743 ( -40.445 0.000 51.319) 65.341 19.342 ( -1.097 0.000 -8.355) 8.426 19.492 ( -9.381 0.000 -0.964) 9.430 27.444 ( 0.841 0.000 3.193) 3.302 27.520 ( -0.931 0.000 3.042) 3.181 28.736 ( 0.823 0.000 -2.178) 2.328 28.802 ( -0.733 0.000 -2.534) 2.638 30.438 ( 33.366 0.000 -33.991) 47.631 30.848 ( 0.745 0.000 -4.196) 4.261 32.227 ( 0.714 0.000 -1.506) 1.667 32.341 ( -1.161 0.000 -4.387) 4.538 85.893 ( -0.895 0.000 -0.578) 1.065 86.040 ( 0.095 0.000 -6.931) 6.931 86.915 ( 17.245 0.000 25.246) 30.574 89.142 ( -92.149 0.000 83.151) 124.119 ======================= Grid point 87 (30/162) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 38.392 0.000 13.165) 40.587 1.898 ( 32.872 0.000 21.861) 39.477 2.500 ( -25.670 0.000 17.974) 31.337 2.615 ( -36.492 0.000 7.825) 37.321 3.319 ( 61.773 0.000 22.959) 65.902 4.546 ( -59.364 0.000 9.912) 60.186 4.790 ( 16.504 0.000 -1.099) 16.540 5.060 ( -11.021 0.000 -1.689) 11.150 6.270 ( 20.004 0.000 0.613) 20.014 6.681 ( -19.918 0.000 -3.398) 20.206 8.074 ( 14.806 0.000 -5.862) 15.924 8.254 ( 0.573 0.000 -1.997) 2.078 8.403 ( 1.657 0.000 -0.266) 1.678 8.438 ( -1.761 0.000 -0.412) 1.808 8.892 ( 1.815 0.000 16.028) 16.130 9.015 ( -7.199 0.000 8.462) 11.110 9.129 ( 0.611 0.000 -0.067) 0.614 9.140 ( -0.500 0.000 -0.092) 0.508 10.761 ( 6.126 0.000 -3.540) 7.075 10.897 ( -7.259 0.000 -7.583) 10.498 11.534 ( 4.523 0.000 -17.984) 18.544 11.632 ( -5.886 0.000 -17.467) 18.432 12.095 ( 0.504 0.000 -0.036) 0.505 12.104 ( -0.355 0.000 -0.088) 0.366 12.191 ( 0.046 0.000 -0.101) 0.111 12.194 ( -0.193 0.000 -0.130) 0.232 12.868 ( 24.901 0.000 -25.558) 35.683 13.269 ( -16.381 0.000 -19.246) 25.274 14.427 ( 11.672 0.000 -2.537) 11.945 14.605 ( -6.768 0.000 -5.776) 8.898 15.306 ( 12.267 0.000 -10.266) 15.996 15.551 ( -13.064 0.000 -0.965) 13.100 16.726 ( 17.535 0.000 45.959) 49.190 17.123 ( -24.120 0.000 57.109) 61.994 19.344 ( 1.323 0.000 -10.175) 10.261 19.389 ( -3.229 0.000 -8.105) 8.725 27.467 ( 1.401 0.000 3.149) 3.447 27.496 ( -1.456 0.000 3.092) 3.417 28.757 ( 1.282 0.000 -2.291) 2.625 28.783 ( -1.226 0.000 -2.427) 2.719 30.794 ( 7.597 0.000 -19.826) 21.232 30.857 ( -0.430 0.000 -9.031) 9.041 32.258 ( 2.260 0.000 -3.077) 3.818 32.305 ( -2.306 0.000 -3.912) 4.541 85.921 ( 3.195 0.000 -4.482) 5.504 85.995 ( -3.754 0.000 -6.876) 7.834 87.328 ( 24.681 0.000 34.713) 42.593 87.932 ( -40.217 0.000 58.127) 70.684 ======================= Grid point 90 (31/162) ======================= q-point: ( 0.00 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.000 31.737 28.508) 42.661 1.250 ( 0.000 25.118 39.294) 46.637 2.071 ( 0.000 67.052 38.282) 77.211 3.372 ( 0.000 9.197 14.852) 17.469 3.988 ( 0.000 21.705 5.753) 22.454 4.302 ( 0.000 22.965 -1.362) 23.006 5.358 ( 0.000 3.603 -8.129) 8.891 5.656 ( 0.000 29.700 -6.369) 30.375 6.735 ( 0.000 4.908 19.614) 20.218 7.078 ( 0.000 5.026 -10.884) 11.989 7.253 ( 0.000 -1.428 -3.415) 3.702 7.961 ( 0.000 0.317 5.276) 5.286 8.506 ( 0.000 2.656 -0.082) 2.657 8.666 ( 0.000 4.963 -3.792) 6.246 9.116 ( 0.000 0.949 -1.297) 1.607 9.235 ( 0.000 8.259 -0.320) 8.265 9.242 ( 0.000 8.477 2.309) 8.786 9.872 ( 0.000 0.776 2.794) 2.900 9.968 ( 0.000 11.662 -10.773) 15.877 10.635 ( 0.000 -2.761 0.352) 2.784 11.394 ( 0.000 -2.968 -5.684) 6.412 11.540 ( 0.000 -2.775 -5.505) 6.165 11.789 ( 0.000 -9.894 -3.887) 10.630 11.937 ( 0.000 -12.752 1.240) 12.812 12.214 ( 0.000 10.035 -0.424) 10.044 12.452 ( 0.000 18.386 -3.291) 18.678 12.687 ( 0.000 23.178 -18.728) 29.799 13.564 ( 0.000 5.737 -14.615) 15.701 14.212 ( 0.000 15.005 -2.244) 15.172 14.691 ( 0.000 -5.729 0.425) 5.745 15.019 ( 0.000 2.559 -25.967) 26.093 16.035 ( 0.000 -7.483 6.022) 9.605 16.202 ( 0.000 5.092 34.996) 35.364 18.271 ( 0.000 -6.443 -2.706) 6.988 19.242 ( 0.000 -11.897 -6.597) 13.604 19.247 ( 0.000 -28.979 18.589) 34.429 27.526 ( 0.000 8.930 3.068) 9.443 28.150 ( 0.000 33.284 -27.185) 42.975 28.745 ( 0.000 1.766 -1.791) 2.515 28.836 ( 0.000 2.588 -2.287) 3.454 29.807 ( 0.000 5.051 2.037) 5.446 30.834 ( 0.000 -0.495 -2.787) 2.831 32.198 ( 0.000 -2.687 -0.978) 2.860 32.300 ( 0.000 -5.071 -4.258) 6.622 85.935 ( 0.000 -3.465 5.180) 6.232 85.956 ( 0.000 -0.706 -6.532) 6.570 86.682 ( 0.000 -4.136 23.604) 23.963 88.676 ( 0.000 -110.208 104.477) 151.859 ======================= Grid point 91 (32/162) ======================= q-point: ( 0.20 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 22.908 18.097 28.660) 40.910 1.577 ( 27.576 29.860 22.925) 46.665 2.522 ( 40.787 51.447 31.759) 72.932 3.149 ( -18.980 8.799 14.943) 25.709 3.532 ( -31.059 22.346 5.837) 38.705 4.663 ( 21.699 23.178 -0.715) 31.758 5.400 ( -2.140 10.168 -7.864) 13.031 5.583 ( -13.743 25.061 -6.930) 29.410 6.180 ( -22.561 6.178 16.927) 28.873 6.999 ( -11.717 0.465 -4.417) 12.530 7.700 ( 24.356 0.054 -6.499) 25.208 8.033 ( 8.173 -1.671 5.871) 10.201 8.504 ( -0.074 3.613 0.271) 3.624 8.614 ( -4.709 9.287 -3.123) 10.871 8.961 ( -14.850 4.913 7.415) 17.310 9.113 ( -5.097 -2.341 6.482) 8.572 9.249 ( 0.681 10.325 -0.713) 10.372 9.361 ( -6.970 14.990 6.067) 17.610 10.623 ( 8.417 -2.423 -6.655) 11.000 10.819 ( 16.169 -10.332 -13.162) 23.268 11.386 ( 2.666 -4.901 -10.260) 11.679 11.581 ( 1.044 -7.701 -9.947) 12.622 11.792 ( 2.431 -12.292 -0.217) 12.532 11.945 ( 0.352 -12.685 1.199) 12.746 12.228 ( 1.425 10.354 -0.626) 10.471 12.406 ( -3.773 17.149 -3.383) 17.882 12.798 ( 10.573 18.625 -17.613) 27.729 13.551 ( -4.176 4.601 -14.283) 15.576 14.314 ( 9.683 12.432 -5.092) 16.560 14.685 ( -0.849 -3.060 -2.766) 4.212 15.083 ( 6.610 -0.266 -21.558) 22.550 15.796 ( -15.195 -3.889 5.774) 16.713 16.438 ( 15.676 2.888 34.490) 37.995 17.807 ( -34.408 4.283 32.886) 47.789 19.200 ( -0.338 -14.706 -5.778) 15.804 19.283 ( -0.261 -15.783 -1.366) 15.844 27.540 ( 1.488 9.479 3.017) 10.059 27.871 ( -15.033 26.673 -5.094) 31.038 28.755 ( 0.892 1.923 -1.943) 2.875 28.825 ( -0.853 2.250 -2.188) 3.252 30.330 ( 30.629 -7.276 -19.326) 36.940 30.837 ( 0.122 -1.030 -3.959) 4.093 32.199 ( 0.438 -2.802 -1.413) 3.169 32.290 ( -1.038 -4.986 -4.005) 6.479 85.883 ( -0.512 -0.965 -0.565) 1.230 86.016 ( 0.652 -2.149 -6.901) 7.258 86.839 ( 14.508 -7.252 25.014) 29.813 88.218 ( -34.124 -62.937 85.996) 111.897 ======================= Grid point 92 (33/162) ======================= q-point: ( 0.40 0.06 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 30.179 10.730 20.421) 37.986 2.194 ( 33.213 25.928 13.356) 44.201 2.594 ( -27.261 10.513 16.965) 33.786 2.884 ( -34.178 24.027 9.133) 42.765 3.602 ( 56.915 30.075 19.528) 67.269 4.723 ( -53.798 18.655 8.300) 57.542 5.055 ( 16.179 25.304 -1.532) 30.073 5.330 ( -11.162 25.485 -2.134) 27.904 6.276 ( 19.370 1.958 1.628) 19.537 6.681 ( -19.781 0.515 -2.860) 19.994 8.020 ( 11.455 -3.247 -3.716) 12.473 8.165 ( -0.695 -6.318 -1.246) 6.477 8.517 ( 1.244 6.195 0.081) 6.319 8.542 ( -1.914 10.101 -1.635) 10.410 8.847 ( 3.259 -1.954 13.004) 13.548 8.985 ( -7.919 -2.107 7.787) 11.304 9.272 ( 1.542 12.234 0.064) 12.331 9.302 ( -1.501 13.920 1.714) 14.105 10.742 ( 5.956 -1.778 -3.037) 6.918 10.863 ( -5.458 -3.239 -6.646) 9.190 11.477 ( 4.275 -5.452 -15.994) 17.430 11.547 ( -3.156 -6.518 -14.523) 16.229 11.881 ( 4.475 -17.019 1.296) 17.645 11.937 ( -1.392 -14.266 1.242) 14.388 12.269 ( 2.665 11.431 -1.329) 11.813 12.331 ( -3.620 13.961 -2.444) 14.628 13.063 ( 15.445 10.253 -14.327) 23.429 13.362 ( -13.938 5.769 -12.236) 19.423 14.514 ( 9.000 7.213 -8.647) 14.415 14.641 ( -4.057 2.281 -7.800) 9.083 15.266 ( 11.418 -3.867 -12.598) 17.437 15.512 ( -13.553 -4.095 -3.484) 14.580 16.779 ( 19.396 5.405 41.918) 46.503 17.212 ( -25.590 7.973 46.063) 53.293 19.216 ( 1.657 -12.537 -9.502) 15.818 19.255 ( -2.074 -12.675 -7.294) 14.770 27.585 ( 3.208 11.481 2.763) 12.237 27.674 ( -6.374 16.363 1.644) 17.637 28.778 ( 1.325 2.016 -2.040) 3.159 28.804 ( -1.276 2.101 -2.150) 3.266 30.717 ( 10.494 -6.448 -15.206) 19.568 30.824 ( -2.029 -2.893 -7.888) 8.643 32.222 ( 1.746 -3.605 -2.593) 4.772 32.260 ( -1.944 -4.478 -3.479) 5.994 85.913 ( 3.068 -0.799 -4.409) 5.431 85.982 ( -3.356 -1.282 -6.774) 7.668 87.184 ( 19.916 -13.402 33.316) 41.064 87.623 ( -25.744 -26.425 53.790) 65.226 ======================= Grid point 95 (34/162) ======================= q-point: ( 0.00 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.000 31.836 30.234) 43.905 1.920 ( 0.000 39.029 15.782) 42.099 3.529 ( 0.000 68.941 20.343) 71.880 3.643 ( 0.000 25.849 10.425) 27.872 4.490 ( 0.000 26.864 6.689) 27.684 4.797 ( 0.000 22.958 -4.754) 23.446 5.470 ( 0.000 9.257 0.587) 9.276 6.431 ( 0.000 44.946 -8.304) 45.707 6.948 ( 0.000 19.517 14.020) 24.031 7.219 ( 0.000 -1.472 -2.716) 3.089 7.241 ( 0.000 11.030 -10.086) 14.946 7.974 ( 0.000 1.101 2.764) 2.975 8.572 ( 0.000 3.651 0.742) 3.725 8.690 ( 0.000 3.003 3.450) 4.574 9.053 ( 0.000 -5.316 6.079) 8.075 9.443 ( 0.000 12.206 -1.014) 12.249 9.521 ( 0.000 16.036 -5.344) 16.903 9.901 ( 0.000 2.365 3.814) 4.488 10.088 ( 0.000 2.696 -1.188) 2.946 10.572 ( 0.000 -3.160 -0.630) 3.222 11.326 ( 0.000 -3.940 -2.622) 4.733 11.467 ( 0.000 -6.562 -9.881) 11.862 11.638 ( 0.000 -5.333 -3.528) 6.394 11.697 ( 0.000 -9.192 3.285) 9.761 12.473 ( 0.000 15.723 -0.689) 15.738 12.826 ( 0.000 19.055 -3.672) 19.406 12.885 ( 0.000 1.273 -2.034) 2.400 13.620 ( 0.000 -0.196 -5.362) 5.365 14.494 ( 0.000 11.249 -16.040) 19.591 14.535 ( 0.000 -9.910 1.055) 9.966 15.018 ( 0.000 -2.466 -23.571) 23.700 15.834 ( 0.000 -12.607 3.368) 13.049 16.361 ( 0.000 11.159 30.472) 32.451 18.089 ( 0.000 -12.076 -2.376) 12.308 18.842 ( 0.000 -15.034 7.453) 16.780 18.918 ( 0.000 -20.621 -5.482) 21.337 27.765 ( 0.000 14.945 2.696) 15.186 28.589 ( 0.000 15.076 -16.447) 22.311 28.795 ( 0.000 3.247 -0.924) 3.376 28.906 ( 0.000 4.467 -1.141) 4.611 29.951 ( 0.000 9.485 1.403) 9.588 30.828 ( 0.000 0.131 -2.681) 2.684 32.123 ( 0.000 -4.876 -1.122) 5.003 32.162 ( 0.000 -8.732 -3.401) 9.371 85.868 ( 0.000 -3.033 2.389) 3.861 85.937 ( 0.000 -1.211 -5.815) 5.940 86.573 ( 0.000 -6.659 20.983) 22.014 87.347 ( 0.000 -39.535 65.281) 76.319 ======================= Grid point 96 (35/162) ======================= q-point: ( 0.20 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 14.962 29.955 23.237) 40.757 2.185 ( 23.479 33.025 16.463) 43.737 3.383 ( -21.033 18.400 12.145) 30.471 3.808 ( 24.518 70.334 17.109) 76.424 4.029 ( -30.898 25.583 6.957) 40.714 5.167 ( 21.832 22.860 -4.963) 31.998 5.620 ( 11.467 14.503 -0.719) 18.503 6.213 ( -28.602 32.322 -0.323) 43.161 6.532 ( -13.882 32.979 4.460) 36.058 7.042 ( -11.503 5.606 -0.743) 12.818 7.713 ( 21.238 1.509 -6.651) 22.306 8.007 ( 3.386 -0.514 3.073) 4.601 8.582 ( 1.084 2.706 0.517) 2.961 8.690 ( 0.637 5.765 4.575) 7.387 9.021 ( -4.096 -3.844 5.330) 7.743 9.188 ( -20.607 10.956 2.315) 23.453 9.509 ( 1.440 14.868 -1.816) 15.047 9.648 ( -4.509 14.335 4.366) 15.649 10.564 ( 15.926 -3.537 -5.862) 17.336 10.644 ( 10.244 -6.300 -1.816) 12.162 11.289 ( -1.824 -4.879 -2.912) 5.967 11.466 ( -0.903 -6.715 -11.011) 12.929 11.610 ( -0.840 -7.071 -2.535) 7.558 11.718 ( 0.523 -7.940 2.723) 8.410 12.493 ( 1.987 15.829 -1.107) 15.991 12.763 ( -5.261 17.589 -4.376) 18.873 12.962 ( 7.130 1.966 -1.007) 7.464 13.589 ( -4.720 -0.856 -4.630) 6.667 14.506 ( 3.190 0.325 -7.636) 8.282 14.600 ( 4.238 -0.738 -6.718) 7.977 15.048 ( 3.348 -3.317 -22.365) 22.856 15.662 ( -13.568 -9.670 0.519) 16.670 16.554 ( 16.158 9.038 30.179) 35.405 17.832 ( -21.903 -2.664 12.211) 25.218 18.861 ( 1.588 -17.953 -4.436) 18.561 18.942 ( 1.190 -19.352 -2.965) 19.614 27.791 ( 2.741 15.526 2.587) 15.977 28.341 ( -17.872 20.386 -6.561) 27.893 28.808 ( 1.018 3.368 -1.271) 3.741 28.886 ( -1.243 3.840 -1.128) 4.191 30.257 ( 22.077 0.456 -6.333) 22.972 30.819 ( -1.097 -0.438 -3.437) 3.634 32.121 ( -0.085 -5.128 -1.376) 5.310 32.157 ( -0.571 -8.397 -3.144) 8.984 85.858 ( 0.436 -1.454 -0.941) 1.786 85.969 ( 0.992 -2.422 -6.590) 7.090 86.663 ( 8.728 -9.969 23.380) 26.874 87.276 ( -6.852 -34.064 56.928) 66.694 ======================= Grid point 97 (36/162) ======================= q-point: ( 0.40 0.12 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 25.039 24.016 16.183) 38.283 2.711 ( 20.906 26.600 10.982) 35.570 2.910 ( -17.235 20.786 15.106) 30.940 3.395 ( -32.937 25.577 10.449) 42.991 4.468 ( 40.361 55.403 12.998) 69.768 5.270 ( -33.957 35.186 3.357) 49.015 5.652 ( 10.502 31.757 -3.445) 33.625 5.856 ( -4.275 21.144 -0.830) 21.588 6.477 ( 7.600 23.105 2.086) 24.412 6.753 ( -16.757 9.634 1.137) 19.362 7.979 ( 7.723 -1.093 -3.464) 8.534 8.062 ( -0.208 -3.652 -0.449) 3.686 8.627 ( 3.941 3.504 -0.266) 5.280 8.713 ( -1.575 7.476 0.354) 7.648 8.875 ( -2.551 4.580 8.530) 10.012 8.962 ( -6.690 1.937 9.004) 11.383 9.555 ( 2.714 15.451 -0.545) 15.697 9.600 ( -1.851 15.697 1.079) 15.843 10.704 ( 5.408 -1.591 -1.937) 5.961 10.786 ( -1.060 -4.022 -4.424) 6.073 11.329 ( 5.215 -8.927 -7.869) 12.993 11.420 ( -3.560 -7.440 -11.550) 14.193 11.634 ( 2.969 -8.080 -0.446) 8.620 11.697 ( -2.626 -7.903 1.964) 8.556 12.552 ( 4.062 16.289 -2.223) 16.935 12.649 ( -5.748 17.073 -3.613) 18.373 13.155 ( 12.232 0.348 -1.000) 12.277 13.410 ( -12.564 -0.826 -2.334) 12.805 14.602 ( 4.942 -1.481 -7.342) 8.973 14.652 ( 0.248 -0.271 -8.162) 8.170 15.166 ( 8.965 -6.054 -16.658) 19.862 15.390 ( -13.328 -8.226 -7.647) 17.429 16.924 ( 21.124 8.679 30.190) 37.855 17.368 ( -23.881 6.306 25.826) 35.736 18.899 ( 2.188 -18.762 -8.083) 20.546 18.938 ( -1.462 -18.744 -5.968) 19.725 27.877 ( 6.190 17.330 2.046) 18.516 28.046 ( -11.596 20.056 0.076) 23.167 28.832 ( 1.410 3.432 -1.327) 3.940 28.860 ( -1.408 3.531 -1.341) 4.031 30.608 ( 12.727 -3.493 -8.150) 15.511 30.769 ( -4.593 -2.052 -5.619) 7.542 32.125 ( 0.563 -6.090 -1.980) 6.429 32.141 ( -0.927 -7.419 -2.630) 7.926 85.893 ( 2.794 -1.200 -4.212) 5.195 85.950 ( -2.528 -1.805 -6.378) 7.094 86.876 ( 11.921 -16.504 29.290) 35.670 87.100 ( -10.600 -24.415 41.239) 49.083 ======================= Grid point 100 (37/162) ======================= q-point: ( 0.00 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 0.000 37.696 16.562) 41.174 2.695 ( 0.000 39.939 9.281) 41.003 3.989 ( 0.000 20.575 7.376) 21.858 4.954 ( 0.000 21.857 6.398) 22.774 5.048 ( 0.000 71.804 13.569) 73.074 5.106 ( 0.000 10.157 -11.075) 15.027 5.693 ( 0.000 10.952 14.402) 18.094 7.097 ( 0.000 3.564 -8.785) 9.480 7.279 ( 0.000 31.291 -3.602) 31.498 7.450 ( 0.000 8.356 -5.773) 10.157 7.656 ( 0.000 45.147 5.766) 45.514 8.012 ( 0.000 3.058 -0.311) 3.073 8.629 ( 0.000 1.783 1.463) 2.306 8.802 ( 0.000 0.886 1.467) 1.714 9.017 ( 0.000 10.279 7.844) 12.930 9.680 ( 0.000 11.644 -1.873) 11.794 9.824 ( 0.000 14.244 -6.014) 15.462 9.979 ( 0.000 6.294 3.486) 7.195 10.134 ( 0.000 3.901 4.841) 6.217 10.540 ( 0.000 0.475 -1.158) 1.252 11.239 ( 0.000 -4.925 0.698) 4.975 11.267 ( 0.000 -12.191 -5.643) 13.433 11.588 ( 0.000 0.272 -4.509) 4.517 11.606 ( 0.000 -1.778 -1.088) 2.085 12.798 ( 0.000 16.673 -0.405) 16.678 12.842 ( 0.000 -4.294 5.265) 6.795 13.169 ( 0.000 15.462 -2.074) 15.600 13.578 ( 0.000 -3.507 -0.326) 3.522 14.325 ( 0.000 -10.841 1.456) 10.939 14.606 ( 0.000 0.396 -13.709) 13.714 14.949 ( 0.000 -4.103 -20.227) 20.639 15.567 ( 0.000 -14.034 0.028) 14.034 16.610 ( 0.000 13.113 20.942) 24.709 17.810 ( 0.000 -16.186 -1.957) 16.304 18.462 ( 0.000 -25.482 -4.036) 25.799 18.581 ( 0.000 -12.827 -1.023) 12.867 28.085 ( 0.000 17.237 2.146) 17.370 28.820 ( 0.000 9.366 -8.734) 12.807 28.870 ( 0.000 4.404 0.135) 4.406 29.008 ( 0.000 5.972 0.748) 6.019 30.169 ( 0.000 12.626 0.724) 12.646 30.847 ( 0.000 1.892 -2.575) 3.196 31.972 ( 0.000 -10.404 -2.363) 10.669 32.012 ( 0.000 -6.347 -1.170) 6.454 85.822 ( 0.000 -1.697 -0.250) 1.715 85.911 ( 0.000 -1.400 -4.808) 5.008 86.435 ( 0.000 -7.196 17.367) 18.799 86.805 ( 0.000 -19.865 36.145) 41.244 ======================= Grid point 101 (38/162) ======================= q-point: ( 0.20 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 11.030 36.335 13.898) 40.436 2.860 ( 15.995 35.709 10.107) 40.412 3.777 ( -19.096 22.138 6.935) 30.047 4.468 ( -30.847 19.248 6.991) 37.026 5.201 ( 15.662 69.221 12.048) 71.986 5.451 ( 19.242 8.766 -9.339) 23.116 5.932 ( 17.813 14.157 11.454) 25.474 6.836 ( -26.742 23.659 1.085) 35.722 7.032 ( -7.913 20.049 -8.563) 23.193 7.512 ( -10.607 39.838 4.746) 41.498 7.771 ( 14.041 5.796 -4.312) 15.790 8.028 ( 1.133 3.104 0.253) 3.314 8.606 ( -0.639 0.273 0.660) 0.958 8.831 ( 1.217 0.420 1.617) 2.067 9.037 ( 1.232 14.178 6.675) 15.719 9.400 ( -19.561 11.369 1.902) 22.704 9.784 ( 1.757 12.537 -1.464) 12.744 9.931 ( -2.005 15.018 1.500) 15.225 10.495 ( 19.837 -2.098 -1.427) 19.999 10.601 ( 5.282 1.644 -0.995) 5.621 11.191 ( -3.901 -5.213 0.636) 6.542 11.269 ( -0.227 -11.908 -5.606) 13.164 11.549 ( -1.258 0.470 -5.168) 5.340 11.642 ( 1.059 -1.106 -0.849) 1.751 12.807 ( 1.326 14.025 -0.495) 14.097 12.879 ( 3.023 -2.215 4.009) 5.488 13.145 ( -1.535 15.374 -1.337) 15.508 13.538 ( -5.124 -3.616 0.121) 6.272 14.349 ( 3.759 -10.372 1.025) 11.080 14.625 ( 0.974 -1.570 -10.967) 11.122 14.968 ( 2.048 -4.622 -19.859) 20.492 15.440 ( -11.180 -12.392 -2.684) 16.904 16.757 ( 13.347 10.332 19.943) 26.127 17.696 ( -11.010 -10.976 3.629) 15.964 18.463 ( 0.868 -23.581 -5.650) 24.264 18.590 ( 0.042 -15.716 -2.574) 15.925 28.120 ( 3.610 17.515 2.014) 17.996 28.677 ( -12.585 14.413 -4.803) 19.728 28.884 ( 0.984 4.373 -0.373) 4.498 28.970 ( -2.088 4.792 0.701) 5.274 30.340 ( 13.929 7.460 -2.027) 15.931 30.830 ( -1.882 1.672 -2.927) 3.861 31.974 ( 0.167 -9.955 -2.247) 10.207 32.006 ( -0.629 -6.647 -1.244) 6.791 85.831 ( 1.214 -1.179 -1.668) 2.376 85.927 ( 0.730 -1.893 -5.637) 5.991 86.473 ( 3.929 -9.176 19.574) 21.972 86.779 ( -2.709 -19.109 33.597) 38.746 ======================= Grid point 102 (39/162) ======================= q-point: ( 0.40 0.19 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 19.757 32.049 9.651) 38.867 3.253 ( 11.481 28.925 6.854) 31.867 3.369 ( -9.103 25.730 11.258) 29.523 3.856 ( -30.727 22.129 10.030) 39.172 5.612 ( 24.095 57.470 8.248) 62.860 5.799 ( 12.966 12.020 -8.470) 19.605 6.146 ( 0.494 11.113 1.427) 11.216 6.294 ( -25.056 38.303 5.062) 46.050 6.980 ( 6.227 24.713 1.072) 25.508 7.234 ( -15.993 34.486 6.296) 38.532 7.972 ( 6.295 0.848 -3.473) 7.240 8.036 ( -0.836 1.328 -0.757) 1.742 8.648 ( 5.099 -0.536 0.130) 5.128 8.780 ( -6.662 -1.178 0.437) 6.779 9.061 ( 2.034 17.250 5.364) 18.179 9.139 ( -6.924 14.910 5.993) 17.497 9.840 ( 3.259 13.169 -0.921) 13.598 9.894 ( -2.091 14.108 0.048) 14.262 10.706 ( 4.721 2.524 -1.353) 5.521 10.739 ( 3.831 0.259 -2.828) 4.769 11.157 ( 2.090 -8.350 -1.394) 8.720 11.234 ( -3.672 -10.594 -4.974) 12.266 11.566 ( 2.902 0.434 -4.038) 4.992 11.628 ( -2.428 -0.256 -1.718) 2.985 12.852 ( 3.094 12.189 -1.136) 12.627 12.907 ( -1.368 5.751 0.114) 5.913 13.179 ( 6.502 6.431 1.855) 9.331 13.368 ( -10.994 -1.849 1.762) 11.287 14.481 ( 8.233 -8.804 -0.793) 12.079 14.606 ( -3.603 -5.099 -5.694) 8.449 15.039 ( 5.711 -6.811 -17.006) 19.189 15.206 ( -11.165 -10.115 -9.759) 17.950 17.071 ( 17.664 5.158 17.195) 25.185 17.415 ( -16.756 -1.990 11.958) 20.682 18.505 ( 3.071 -21.287 -6.536) 22.479 18.565 ( -2.570 -18.703 -5.038) 19.539 28.229 ( 7.648 18.123 1.399) 19.720 28.422 ( -11.995 17.982 -0.457) 21.620 28.907 ( 1.391 4.206 -0.282) 4.439 28.937 ( -1.563 4.186 -0.067) 4.469 30.599 ( 11.185 2.523 -4.020) 12.151 30.761 ( -5.520 1.386 -3.740) 6.810 31.979 ( 0.449 -8.825 -1.918) 9.042 31.991 ( -0.738 -7.547 -1.511) 7.732 85.870 ( 2.526 -1.053 -3.882) 4.750 85.917 ( -1.789 -1.552 -5.625) 6.103 86.580 ( 6.403 -13.408 23.346) 27.674 86.699 ( -5.333 -16.938 28.172) 33.302 ======================= Grid point 105 (40/162) ======================= q-point: ( 0.00 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.224 ( 0.000 38.025 6.364) 38.554 3.467 ( 0.000 38.957 5.643) 39.363 4.407 ( 0.000 21.859 3.625) 22.158 5.272 ( 0.000 7.942 -11.700) 14.141 5.278 ( 0.000 13.521 5.633) 14.647 5.849 ( 0.000 5.401 16.919) 17.760 6.362 ( 0.000 59.080 9.476) 59.835 7.029 ( 0.000 -5.885 -5.611) 8.132 7.541 ( 0.000 1.865 -0.689) 1.989 7.996 ( 0.000 34.790 -6.801) 35.449 8.079 ( 0.000 2.443 -2.422) 3.440 8.392 ( 0.000 20.845 -2.555) 21.001 8.680 ( 0.000 8.151 6.990) 10.738 8.707 ( 0.000 -4.336 7.310) 8.499 9.431 ( 0.000 23.558 -2.819) 23.726 9.898 ( 0.000 9.769 -1.788) 9.931 10.012 ( 0.000 5.328 0.810) 5.389 10.203 ( 0.000 19.461 -0.456) 19.466 10.379 ( 0.000 23.311 1.856) 23.385 10.596 ( 0.000 4.802 -0.753) 4.860 11.034 ( 0.000 -11.123 -2.469) 11.394 11.144 ( 0.000 -4.145 1.870) 4.547 11.588 ( 0.000 -0.351 -3.192) 3.212 11.650 ( 0.000 6.158 -4.833) 7.828 12.758 ( 0.000 -3.404 6.821) 7.623 13.092 ( 0.000 12.690 0.565) 12.703 13.414 ( 0.000 9.452 0.574) 9.469 13.503 ( 0.000 -3.789 1.876) 4.228 14.144 ( 0.000 -6.819 1.243) 6.932 14.548 ( 0.000 -5.138 -9.881) 11.136 14.864 ( 0.000 -4.622 -15.844) 16.505 15.309 ( 0.000 -11.931 -3.027) 12.309 16.825 ( 0.000 7.945 11.757) 14.190 17.471 ( 0.000 -18.128 -1.654) 18.204 17.942 ( 0.000 -27.370 -2.403) 27.475 18.314 ( 0.000 -14.954 -4.150) 15.519 28.418 ( 0.000 16.433 1.419) 16.494 28.964 ( 0.000 5.609 -4.767) 7.361 28.965 ( 0.000 5.273 1.115) 5.389 29.139 ( 0.000 7.270 1.840) 7.499 30.432 ( 0.000 14.018 0.228) 14.020 30.903 ( 0.000 3.755 -2.469) 4.494 31.768 ( 0.000 -10.235 -1.391) 10.329 31.881 ( 0.000 -6.947 -1.023) 7.022 85.799 ( 0.000 -0.673 -1.194) 1.371 85.885 ( 0.000 -1.297 -3.676) 3.898 86.301 ( 0.000 -6.337 13.420) 14.841 86.498 ( 0.000 -12.436 20.648) 24.104 ======================= Grid point 106 (41/162) ======================= q-point: ( 0.20 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 8.546 36.999 5.563) 38.379 3.564 ( 9.822 36.141 6.148) 37.953 4.233 ( -15.443 24.137 2.935) 28.804 4.802 ( -27.262 15.618 5.597) 31.913 5.576 ( 15.913 5.931 -7.839) 18.705 6.114 ( 16.249 5.620 10.367) 20.077 6.451 ( 9.067 54.154 8.574) 55.573 6.946 ( -5.349 -1.045 0.229) 5.455 7.529 ( -3.128 12.884 -2.770) 13.544 7.981 ( -5.005 18.365 -3.708) 19.392 8.033 ( -1.814 11.428 -2.525) 11.843 8.284 ( -7.758 21.745 4.020) 23.434 8.585 ( -3.125 -1.733 1.503) 3.876 8.791 ( 1.832 -0.370 4.025) 4.438 9.467 ( 1.745 23.206 -2.871) 23.448 9.690 ( -12.612 19.019 3.771) 23.130 9.979 ( 2.594 7.105 -0.961) 7.625 10.256 ( -5.453 18.670 -0.809) 19.467 10.556 ( 17.911 10.513 -0.934) 20.789 10.704 ( 7.871 9.170 -0.755) 12.109 11.041 ( 0.370 -10.061 -2.569) 10.390 11.102 ( -3.569 -3.600 1.577) 5.309 11.595 ( 0.771 3.027 -5.069) 5.954 11.665 ( 1.050 4.517 -2.968) 5.506 12.775 ( 2.088 -4.391 6.439) 8.068 13.076 ( -1.935 9.372 1.304) 9.658 13.403 ( -0.917 10.427 0.126) 10.468 13.482 ( -2.687 -1.189 1.271) 3.201 14.166 ( 3.512 -7.486 1.174) 8.352 14.544 ( -1.036 -5.752 -7.651) 9.628 14.871 ( 0.776 -5.284 -15.399) 16.299 15.206 ( -9.346 -11.038 -4.769) 15.229 16.907 ( 7.673 4.067 10.771) 13.836 17.427 ( -4.700 -15.828 1.121) 16.549 17.980 ( 3.998 -25.137 -3.740) 25.727 18.293 ( -2.338 -15.549 -4.302) 16.302 28.455 ( 3.800 16.398 1.282) 16.881 28.907 ( -6.028 9.025 -3.762) 11.486 28.976 ( 0.679 5.027 0.401) 5.088 29.078 ( -4.174 6.458 2.858) 8.203 30.526 ( 8.213 11.073 -0.852) 13.812 30.885 ( -1.881 3.900 -2.546) 5.023 31.778 ( 0.959 -9.868 -1.349) 10.006 31.869 ( -1.181 -7.196 -1.049) 7.368 85.815 ( 1.530 -0.529 -1.851) 2.459 85.895 ( 0.663 -1.343 -4.394) 4.642 86.311 ( 1.203 -7.352 14.903) 16.661 86.479 ( -1.945 -12.287 19.876) 23.448 ======================= Grid point 107 (42/162) ======================= q-point: ( 0.40 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.545 ( 15.132 33.887 3.667) 37.293 3.831 ( 9.746 30.063 4.067) 31.864 3.901 ( -9.611 28.352 6.141) 30.560 4.281 ( -24.925 21.833 8.059) 34.101 5.910 ( 17.165 3.047 -7.657) 19.041 6.189 ( -8.752 3.447 -4.130) 10.273 6.707 ( 14.718 40.991 9.644) 44.608 6.905 ( -2.749 18.364 11.334) 21.754 7.473 ( 3.297 22.683 -1.524) 22.972 7.721 ( -17.248 11.610 2.380) 20.927 8.082 ( 4.037 13.850 -1.230) 14.479 8.165 ( -4.620 14.778 1.929) 15.603 8.607 ( 4.952 -3.898 -0.666) 6.337 8.735 ( -6.534 -3.251 0.316) 7.305 9.482 ( 1.604 23.678 0.503) 23.738 9.545 ( -4.284 25.081 3.500) 25.684 10.055 ( 4.697 8.809 -1.141) 10.047 10.151 ( -5.007 12.602 -0.584) 13.573 10.828 ( 7.143 10.788 -2.823) 13.243 10.847 ( 6.548 10.695 -2.395) 12.767 11.010 ( -1.820 -6.501 0.797) 6.798 11.051 ( -2.607 -6.248 -1.989) 7.056 11.626 ( 2.425 5.414 -4.666) 7.547 11.668 ( -1.161 4.575 -2.733) 5.454 12.856 ( 6.335 -4.914 5.257) 9.587 12.996 ( -6.508 0.277 3.327) 7.314 13.388 ( -0.202 11.244 -0.470) 11.256 13.413 ( -2.991 6.709 0.088) 7.346 14.304 ( 9.629 -8.449 0.546) 12.822 14.477 ( -6.493 -7.296 -2.822) 10.166 14.904 ( 3.009 -6.996 -13.685) 15.661 15.013 ( -8.522 -9.293 -9.531) 15.806 17.092 ( 10.418 -3.517 8.436) 13.859 17.288 ( -9.088 -10.556 5.333) 14.915 18.091 ( 6.731 -20.586 -4.816) 22.188 18.216 ( -5.474 -17.220 -4.653) 18.658 28.566 ( 7.449 16.013 0.675) 17.674 28.738 ( -9.731 14.236 -1.027) 17.275 28.994 ( 1.149 4.672 0.907) 4.896 29.022 ( -1.827 4.652 1.644) 5.261 30.695 ( 8.085 6.892 -2.183) 10.846 30.822 ( -4.751 4.657 -2.612) 7.147 31.804 ( 1.657 -8.949 -1.243) 9.186 31.839 ( -1.797 -7.921 -1.127) 8.200 85.854 ( 2.307 -0.510 -3.314) 4.070 85.892 ( -1.198 -0.916 -4.657) 4.895 86.355 ( 3.228 -9.722 17.049) 19.890 86.424 ( -3.460 -11.552 18.409) 22.007 ======================= Grid point 110 (43/162) ======================= q-point: ( 0.00 0.31 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.939 ( 0.000 34.842 -0.787) 34.851 4.211 ( 0.000 37.068 3.250) 37.210 4.829 ( 0.000 21.085 1.127) 21.116 5.429 ( 0.000 8.084 -10.685) 13.398 5.510 ( 0.000 10.800 3.314) 11.297 5.925 ( 0.000 2.679 14.338) 14.586 6.880 ( 0.000 -9.628 -6.114) 11.405 7.203 ( 0.000 21.435 2.750) 21.611 7.593 ( 0.000 6.143 5.884) 8.506 8.034 ( 0.000 -6.541 -1.147) 6.641 8.295 ( 0.000 -4.552 -3.072) 5.492 8.661 ( 0.000 9.902 -3.676) 10.562 8.808 ( 0.000 16.653 5.374) 17.499 8.963 ( 0.000 19.983 4.610) 20.508 9.780 ( 0.000 12.390 -7.099) 14.279 10.011 ( 0.000 2.025 -0.217) 2.036 10.121 ( 0.000 6.753 5.390) 8.640 10.655 ( 0.000 9.902 -3.384) 10.465 10.736 ( 0.000 15.068 0.711) 15.085 10.787 ( 0.000 -3.590 0.185) 3.595 11.040 ( 0.000 30.226 -1.845) 30.282 11.165 ( 0.000 13.017 -1.219) 13.074 11.599 ( 0.000 2.016 -3.204) 3.786 11.819 ( 0.000 10.389 -5.001) 11.530 12.753 ( 0.000 4.514 5.610) 7.200 13.275 ( 0.000 6.117 2.485) 6.602 13.441 ( 0.000 -2.292 3.523) 4.203 13.549 ( 0.000 5.439 1.958) 5.781 14.083 ( 0.000 0.457 1.139) 1.227 14.437 ( 0.000 -5.852 -8.483) 10.306 14.767 ( 0.000 -5.332 -11.172) 12.379 15.111 ( 0.000 -8.321 -5.098) 9.758 16.900 ( 0.000 -0.418 5.851) 5.866 17.121 ( 0.000 -17.182 -1.798) 17.276 17.408 ( 0.000 -26.892 -0.455) 26.896 17.990 ( 0.000 -18.261 -4.439) 18.792 28.712 ( 0.000 13.500 0.638) 13.515 29.051 ( 0.000 3.558 -2.251) 4.210 29.073 ( 0.000 5.691 1.782) 5.963 29.274 ( 0.000 6.103 1.930) 6.401 30.705 ( 0.000 13.674 -0.021) 13.674 30.987 ( 0.000 4.713 -2.325) 5.255 31.581 ( 0.000 -8.689 -0.604) 8.710 31.746 ( 0.000 -6.815 -0.619) 6.843 85.793 ( 0.000 -0.024 -0.828) 0.829 85.862 ( 0.000 -1.046 -2.477) 2.689 86.192 ( 0.000 -4.787 9.551) 10.684 86.300 ( 0.000 -8.087 11.186) 13.803 ======================= Grid point 111 (44/162) ======================= q-point: ( 0.20 0.31 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( 6.863 34.183 -0.852) 34.876 4.262 ( 5.343 35.125 3.665) 35.718 4.706 ( -11.071 24.036 0.244) 26.464 5.094 ( -20.892 14.528 3.020) 25.625 5.693 ( 11.896 6.052 -6.729) 14.947 6.167 ( 14.130 0.591 7.968) 16.233 6.818 ( -2.018 -7.530 -2.078) 8.068 7.243 ( 2.246 17.525 5.157) 18.406 7.637 ( 3.778 4.336 3.019) 6.495 7.964 ( -6.680 -4.895 -1.132) 8.359 8.337 ( 4.119 -4.343 -2.036) 6.322 8.607 ( -3.992 16.068 -1.287) 16.606 8.773 ( -4.480 14.301 2.500) 15.194 8.847 ( -9.819 16.639 3.524) 19.639 9.821 ( 2.888 12.692 -5.380) 14.084 10.028 ( -5.863 10.257 4.314) 12.577 10.068 ( 5.484 5.501 -0.027) 7.768 10.585 ( -6.994 11.563 -1.504) 13.597 10.811 ( 2.394 -4.638 0.486) 5.242 10.837 ( 6.367 6.300 1.017) 9.015 11.096 ( 5.108 25.332 -4.538) 26.237 11.192 ( 3.025 19.666 -1.691) 19.969 11.663 ( 5.729 5.430 -3.640) 8.692 11.831 ( 0.913 11.340 -4.722) 12.318 12.741 ( -0.370 2.485 5.762) 6.286 13.170 ( -8.974 1.509 3.737) 9.837 13.500 ( 3.884 2.048 2.127) 4.879 13.555 ( 0.451 5.906 1.291) 6.062 14.084 ( 1.328 -0.767 0.806) 1.733 14.427 ( -1.562 -5.862 -6.445) 8.851 14.762 ( -0.339 -5.880 -10.844) 12.340 15.019 ( -8.453 -8.097 -5.721) 13.029 16.891 ( 0.394 -6.019 4.637) 7.608 17.111 ( -2.113 -15.678 0.869) 15.844 17.506 ( 9.152 -22.791 -2.114) 24.651 17.966 ( -2.598 -18.082 -4.356) 18.779 28.747 ( 3.458 13.257 0.473) 13.708 29.037 ( -1.626 4.775 -2.465) 5.614 29.077 ( 0.366 5.259 1.698) 5.539 29.215 ( -5.237 6.815 2.844) 9.053 30.754 ( 4.451 11.908 -0.511) 12.723 30.975 ( -1.309 5.073 -2.247) 5.701 31.597 ( 1.512 -8.487 -0.618) 8.642 31.730 ( -1.588 -6.969 -0.629) 7.175 85.810 ( 1.672 0.069 -1.244) 2.085 85.874 ( 0.963 -0.853 -3.100) 3.356 86.186 ( -0.305 -5.387 10.462) 11.771 86.282 ( -1.775 -8.098 11.141) 13.887 ======================= Grid point 112 (45/162) ======================= q-point: ( 0.40 0.31 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.195 ( 11.775 32.251 -1.078) 34.350 4.420 ( 7.197 30.157 2.566) 31.110 4.458 ( -9.494 28.290 1.429) 29.875 4.712 ( -17.392 22.218 5.303) 28.710 5.957 ( 14.283 1.943 -6.816) 15.945 6.207 ( -9.093 -0.505 -4.247) 10.049 6.969 ( 15.228 -4.885 9.209) 18.455 7.215 ( -6.955 4.697 9.607) 12.756 7.714 ( 3.902 4.921 -1.102) 6.377 7.814 ( -7.063 2.563 -1.897) 7.750 8.450 ( 7.072 -1.921 -0.189) 7.330 8.551 ( -1.616 16.310 1.040) 16.422 8.646 ( -6.619 27.003 1.327) 27.834 8.659 ( -7.481 2.542 0.500) 7.917 9.875 ( 3.014 13.029 -1.620) 13.471 9.941 ( -3.578 11.783 1.224) 12.375 10.217 ( 9.316 10.103 -0.177) 13.744 10.412 ( -10.047 13.946 -0.338) 17.192 10.862 ( 2.645 -4.795 1.143) 5.594 10.897 ( -0.217 -3.778 1.535) 4.084 11.210 ( 5.244 24.158 -6.067) 25.455 11.252 ( 1.359 22.914 -4.155) 23.327 11.778 ( 4.936 11.123 -4.038) 12.822 11.835 ( -0.981 12.649 -4.176) 13.357 12.784 ( 5.684 -1.073 5.776) 8.174 12.961 ( -11.267 -1.707 5.039) 12.459 13.553 ( 1.358 6.047 0.450) 6.214 13.562 ( 0.173 6.727 0.296) 6.736 14.177 ( 8.098 -4.202 0.357) 9.131 14.346 ( -7.206 -5.778 -2.323) 9.524 14.768 ( 1.502 -6.958 -9.805) 12.116 14.848 ( -7.167 -7.757 -7.771) 13.112 16.939 ( 4.279 -11.324 3.571) 12.621 17.036 ( -5.000 -14.207 2.647) 15.292 17.709 ( 10.285 -18.699 -3.409) 21.611 17.878 ( -6.623 -17.818 -4.046) 19.435 28.843 ( 6.170 12.241 -0.258) 13.710 28.968 ( -5.668 9.132 -2.098) 10.950 29.088 ( 0.893 4.853 2.136) 5.377 29.122 ( -3.114 5.592 3.406) 7.250 30.852 ( 4.931 8.710 -1.366) 10.102 30.932 ( -3.147 6.312 -1.963) 7.321 31.637 ( 2.489 -7.978 -0.642) 8.382 31.688 ( -2.537 -7.397 -0.645) 7.846 85.851 ( 2.184 0.165 -2.430) 3.272 85.881 ( -0.593 -0.177 -3.609) 3.662 86.194 ( 1.369 -6.890 11.649) 13.603 86.237 ( -2.619 -7.888 11.372) 14.086 ======================= Grid point 115 (46/162) ======================= q-point: ( 0.00 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.574 ( 0.000 30.064 -5.280) 30.524 4.906 ( 0.000 33.711 0.727) 33.719 5.213 ( 0.000 17.708 -0.990) 17.736 5.581 ( 0.000 7.431 -8.213) 11.076 5.715 ( 0.000 10.397 0.355) 10.403 5.955 ( 0.000 0.093 9.674) 9.674 6.652 ( 0.000 -13.523 -7.245) 15.341 7.243 ( 0.000 -11.435 -0.864) 11.468 7.649 ( 0.000 -2.755 9.688) 10.072 8.012 ( 0.000 5.636 -0.563) 5.664 8.133 ( 0.000 -9.735 -0.593) 9.753 8.635 ( 0.000 -8.082 1.830) 8.287 9.233 ( 0.000 21.876 2.056) 21.973 9.407 ( 0.000 21.370 -2.026) 21.466 9.962 ( 0.000 6.308 -5.976) 8.690 9.999 ( 0.000 -2.754 0.152) 2.758 10.283 ( 0.000 10.123 4.548) 11.098 10.677 ( 0.000 -4.251 1.176) 4.411 10.709 ( 0.000 -0.163 -1.220) 1.231 10.831 ( 0.000 -1.885 1.975) 2.730 11.606 ( 0.000 20.898 -2.673) 21.069 11.685 ( 0.000 28.691 -7.018) 29.537 11.698 ( 0.000 9.175 -1.951) 9.380 12.008 ( 0.000 7.828 -4.211) 8.889 13.010 ( 0.000 22.599 1.298) 22.636 13.358 ( 0.000 3.346 4.206) 5.375 13.424 ( 0.000 1.275 6.235) 6.364 13.678 ( 0.000 8.708 0.969) 8.762 14.132 ( 0.000 3.758 1.353) 3.995 14.326 ( 0.000 -5.488 -7.991) 9.694 14.657 ( 0.000 -5.994 -7.459) 9.569 14.968 ( 0.000 -7.213 -5.650) 9.162 16.813 ( 0.000 -15.258 -3.028) 15.556 16.815 ( 0.000 -7.898 2.726) 8.355 16.929 ( 0.000 -19.519 2.248) 19.648 17.606 ( 0.000 -20.767 -3.518) 21.063 28.938 ( 0.000 9.519 0.258) 9.523 29.109 ( 0.000 2.421 -0.820) 2.556 29.182 ( 0.000 5.349 1.770) 5.634 29.365 ( 0.000 3.038 1.666) 3.464 30.957 ( 0.000 12.026 -0.069) 12.026 31.079 ( 0.000 4.611 -2.057) 5.049 31.433 ( 0.000 -6.469 -0.094) 6.469 31.616 ( 0.000 -6.471 -0.040) 6.472 85.796 ( 0.000 0.321 0.126) 0.344 85.843 ( 0.000 -0.828 -1.167) 1.431 86.116 ( 0.000 -2.984 5.949) 6.656 86.174 ( 0.000 -4.961 5.174) 7.168 ======================= Grid point 116 (47/162) ======================= q-point: ( 0.20 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.635 ( 6.006 29.877 -5.117) 30.901 4.923 ( 1.908 31.948 1.517) 32.041 5.158 ( -5.695 21.885 -1.761) 22.682 5.370 ( -13.468 13.847 -0.145) 19.317 5.804 ( 6.832 5.009 -5.611) 10.161 6.150 ( 11.847 -2.175 5.823) 13.379 6.608 ( -1.386 -13.321 -4.835) 14.239 7.219 ( -3.806 -14.523 2.087) 15.158 7.670 ( 2.738 -1.058 6.308) 6.957 7.968 ( -3.865 4.458 -1.304) 6.042 8.177 ( 4.024 -9.296 0.627) 10.149 8.585 ( -5.095 -9.223 2.003) 10.725 9.172 ( -4.621 22.446 0.947) 22.936 9.324 ( -7.122 22.680 -1.357) 23.811 9.963 ( 0.383 1.513 -4.050) 4.340 10.040 ( 1.041 -1.391 0.246) 1.755 10.306 ( 4.360 13.030 2.418) 13.951 10.705 ( -1.063 1.309 0.254) 1.705 10.717 ( 3.451 -2.358 -0.026) 4.180 10.836 ( 0.378 -2.698 1.724) 3.225 11.620 ( 2.489 21.404 -4.512) 22.015 11.663 ( 1.959 20.430 -2.909) 20.729 11.887 ( 11.744 18.117 -5.668) 22.322 12.045 ( 3.363 9.137 -4.277) 10.635 12.948 ( -5.154 20.029 2.310) 20.810 13.202 ( -10.869 3.148 5.089) 12.407 13.525 ( 5.727 0.700 4.969) 7.615 13.690 ( 0.880 8.984 0.640) 9.050 14.112 ( -1.111 2.825 0.305) 3.051 14.319 ( -1.318 -5.286 -5.869) 8.008 14.641 ( -1.294 -6.536 -7.280) 9.868 14.872 ( -8.868 -7.886 -5.272) 12.985 16.694 ( -2.803 -12.413 1.202) 12.782 16.844 ( -2.096 -10.931 0.864) 11.163 17.106 ( 13.037 -18.322 -0.709) 22.498 17.587 ( -2.083 -20.477 -3.471) 20.873 28.967 ( 2.854 9.228 0.066) 9.660 29.110 ( 0.066 2.990 -1.042) 3.167 29.179 ( -0.274 4.976 1.969) 5.359 29.321 ( -4.156 3.792 2.046) 5.986 30.979 ( 1.969 10.918 -0.307) 11.099 31.075 ( -0.476 5.050 -1.901) 5.417 31.450 ( 1.705 -6.477 -0.131) 6.699 31.599 ( -1.746 -6.469 -0.073) 6.701 85.816 ( 1.880 0.462 -0.167) 1.943 85.861 ( 1.547 -0.533 -1.647) 2.321 86.100 ( -1.346 -3.417 6.469) 7.439 86.155 ( -1.881 -5.083 5.380) 7.637 ======================= Grid point 117 (48/162) ======================= q-point: ( 0.40 0.38 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.795 ( 9.873 29.108 -4.520) 31.068 4.984 ( -0.560 25.537 0.387) 25.546 5.007 ( -4.115 29.200 -1.113) 29.510 5.140 ( -9.687 21.228 2.312) 23.448 5.979 ( 10.547 0.041 -6.296) 12.283 6.178 ( -7.894 -2.531 -4.330) 9.352 6.761 ( 15.346 -15.047 4.924) 22.049 7.056 ( -12.710 -16.655 6.033) 21.802 7.759 ( 5.786 1.115 1.095) 5.994 7.874 ( -5.567 3.011 -1.122) 6.428 8.286 ( 7.089 -10.133 1.663) 12.477 8.445 ( -8.538 -10.523 1.994) 13.697 9.119 ( 0.203 24.284 -0.030) 24.285 9.185 ( -6.028 24.257 -0.502) 25.000 9.976 ( 1.254 -0.592 -1.894) 2.347 10.015 ( -2.425 -1.322 -0.257) 2.774 10.460 ( 9.621 11.867 0.176) 15.278 10.628 ( -6.689 7.162 -0.258) 9.803 10.794 ( 3.418 -2.192 0.939) 4.168 10.835 ( -0.837 -2.695 1.542) 3.216 11.694 ( 3.596 22.860 -5.017) 23.679 11.713 ( 1.809 22.264 -4.191) 22.727 12.073 ( 5.910 16.069 -6.274) 18.235 12.108 ( 1.815 13.132 -5.164) 14.227 12.879 ( 0.011 12.546 4.545) 13.344 12.984 ( -9.908 5.240 5.514) 12.491 13.634 ( 4.972 2.903 2.666) 6.344 13.694 ( -1.032 7.760 0.775) 7.867 14.131 ( 3.877 -1.020 -0.462) 4.035 14.248 ( -6.146 -4.653 -2.429) 8.082 14.627 ( 0.562 -7.699 -6.551) 10.124 14.695 ( -7.022 -8.508 -5.286) 12.233 16.704 ( 3.058 -11.077 1.360) 11.572 16.780 ( -4.068 -10.679 1.122) 11.482 17.347 ( 10.760 -18.715 -2.350) 21.715 17.511 ( -6.006 -19.680 -3.176) 20.820 29.041 ( 4.281 8.109 -0.814) 9.206 29.102 ( -1.377 5.122 -1.719) 5.576 29.178 ( 0.669 4.175 2.763) 5.051 29.227 ( -4.473 4.576 3.064) 7.095 31.023 ( 2.221 8.564 -0.862) 8.889 31.058 ( -1.333 6.395 -1.464) 6.694 31.496 ( 2.793 -6.482 -0.174) 7.060 31.553 ( -2.818 -6.471 -0.143) 7.060 85.861 ( 2.295 0.803 -1.241) 2.730 85.885 ( 0.232 0.513 -2.429) 2.493 86.081 ( 0.015 -4.765 7.344) 8.754 86.109 ( -2.419 -5.312 6.290) 8.581 ======================= Grid point 120 (49/162) ======================= q-point: ( 0.00 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.108 ( 0.000 24.267 -6.351) 25.085 5.446 ( 0.000 15.791 -7.269) 17.383 5.501 ( 0.000 11.662 -4.840) 12.627 5.767 ( 0.000 14.336 3.454) 14.746 5.914 ( 0.000 -2.889 -0.050) 2.890 5.920 ( 0.000 10.422 -1.898) 10.593 6.377 ( 0.000 -13.339 -6.534) 14.853 6.863 ( 0.000 -25.036 2.669) 25.178 7.649 ( 0.000 3.516 5.268) 6.334 7.944 ( 0.000 -9.475 2.303) 9.751 8.135 ( 0.000 6.152 1.228) 6.273 8.441 ( 0.000 -10.363 2.092) 10.572 9.575 ( 0.000 13.408 -0.031) 13.408 9.749 ( 0.000 13.531 -2.996) 13.858 9.918 ( 0.000 -5.464 -0.247) 5.470 10.014 ( 0.000 -0.765 -3.690) 3.769 10.489 ( 0.000 9.409 1.759) 9.572 10.637 ( 0.000 0.079 1.917) 1.919 10.678 ( 0.000 -2.599 -0.613) 2.670 10.767 ( 0.000 -4.173 2.364) 4.796 11.891 ( 0.000 7.632 -1.390) 7.757 11.910 ( 0.000 14.221 -2.930) 14.520 12.018 ( 0.000 3.446 -7.312) 8.083 12.148 ( 0.000 7.151 -2.828) 7.690 13.368 ( 0.000 5.463 0.992) 5.552 13.420 ( 0.000 2.500 5.142) 5.718 13.699 ( 0.000 31.832 4.288) 32.120 13.882 ( 0.000 11.052 -1.889) 11.212 14.217 ( 0.000 -5.925 -7.257) 9.368 14.224 ( 0.000 6.007 0.130) 6.009 14.530 ( 0.000 -7.131 -4.467) 8.415 14.774 ( 0.000 -14.612 -4.219) 15.209 16.511 ( 0.000 -11.313 -0.081) 11.313 16.621 ( 0.000 -10.884 1.367) 10.970 16.750 ( 0.000 -0.594 0.005) 0.594 17.201 ( 0.000 -19.864 -2.350) 20.002 29.082 ( 0.000 5.212 0.531) 5.239 29.144 ( 0.000 1.088 0.082) 1.091 29.278 ( 0.000 4.467 1.064) 4.592 29.390 ( 0.000 -0.443 1.132) 1.215 31.164 ( 0.000 4.008 -1.591) 4.312 31.169 ( 0.000 9.488 -0.185) 9.490 31.328 ( 0.000 -4.255 0.185) 4.259 31.490 ( 0.000 -6.638 0.472) 6.655 85.804 ( 0.000 0.499 0.924) 1.050 85.829 ( 0.000 -0.713 0.142) 0.727 86.076 ( 0.000 -1.147 2.954) 3.169 86.102 ( 0.000 -2.581 1.954) 3.237 ======================= Grid point 121 (50/162) ======================= q-point: ( 0.20 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.169 ( 6.041 24.482 -6.357) 26.006 5.437 ( -0.481 18.492 -3.395) 18.808 5.510 ( -0.001 10.558 -6.617) 12.460 5.705 ( -4.680 24.274 2.019) 24.804 5.872 ( 0.022 0.950 -3.708) 3.828 6.083 ( 9.813 -4.184 2.439) 10.944 6.329 ( -3.539 -13.745 -6.817) 15.745 6.813 ( -5.263 -25.085 3.386) 25.854 7.688 ( 3.995 3.450 4.165) 6.724 7.965 ( 1.895 -7.955 1.678) 8.348 8.090 ( -3.903 3.678 1.985) 5.719 8.380 ( -5.968 -10.615 2.257) 12.385 9.535 ( -2.765 14.756 -0.574) 15.024 9.685 ( -5.606 14.412 -2.040) 15.598 9.910 ( -0.469 -5.447 -1.422) 5.649 10.003 ( -1.826 -3.202 -1.634) 4.032 10.525 ( 3.977 8.671 0.457) 9.551 10.682 ( 3.963 -0.417 1.026) 4.115 10.710 ( 2.096 -1.242 0.119) 2.440 10.773 ( 0.547 -3.477 1.950) 4.024 11.936 ( 4.605 8.614 -2.324) 10.040 11.969 ( 5.886 16.134 -3.978) 17.629 12.095 ( 6.381 1.611 -5.410) 8.519 12.232 ( 7.055 7.834 -4.776) 11.574 13.270 ( -6.884 7.400 3.470) 10.686 13.447 ( -1.078 11.187 1.149) 11.297 13.595 ( -6.229 18.028 6.356) 20.105 13.909 ( 1.143 13.015 -1.102) 13.112 14.179 ( -2.446 1.371 -4.159) 5.016 14.220 ( -1.719 -2.293 -2.115) 3.562 14.503 ( -2.389 -7.698 -4.549) 9.256 14.661 ( -9.885 -15.075 -3.168) 18.303 16.496 ( 1.529 -5.499 0.656) 5.745 16.726 ( -0.805 -0.927 -0.599) 1.366 16.778 ( 9.883 -14.548 0.190) 17.589 17.187 ( -1.632 -19.736 -2.357) 19.943 29.106 ( 2.344 4.984 0.439) 5.525 29.155 ( 1.097 1.537 0.017) 1.889 29.266 ( -1.146 3.973 1.155) 4.293 29.359 ( -3.021 0.118 1.237) 3.267 31.168 ( 0.403 4.443 -1.401) 4.676 31.174 ( 0.386 8.941 -0.183) 8.951 31.342 ( 1.436 -4.623 0.062) 4.841 31.474 ( -1.559 -6.441 0.378) 6.637 85.827 ( 2.200 0.653 0.824) 2.438 85.851 ( 2.180 -0.507 -0.035) 2.238 86.053 ( -2.125 -1.389 3.103) 4.009 86.080 ( -2.177 -2.736 2.069) 4.062 ======================= Grid point 122 (51/162) ======================= q-point: ( 0.40 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.323 ( 8.607 24.303 -6.604) 26.614 5.427 ( -1.285 19.625 -3.866) 20.043 5.500 ( 0.020 17.231 -1.597) 17.305 5.577 ( -7.582 25.683 -0.091) 26.779 5.948 ( 7.225 -2.851 -5.060) 9.270 6.106 ( -7.218 -4.535 -4.112) 9.465 6.417 ( 12.134 -19.285 1.190) 22.816 6.654 ( -10.742 -23.418 3.763) 26.038 7.797 ( 6.793 3.395 2.168) 7.898 7.934 ( -6.274 3.467 0.447) 7.182 8.087 ( 5.311 -9.581 3.596) 11.529 8.231 ( -8.387 -10.656 2.725) 13.832 9.512 ( 0.953 16.128 -1.012) 16.188 9.573 ( -4.998 15.766 -1.373) 16.596 9.910 ( 0.889 -5.506 -1.355) 5.739 9.950 ( -2.901 -5.024 -0.993) 5.886 10.628 ( 5.535 5.652 -0.268) 7.915 10.709 ( -2.186 2.174 0.589) 3.139 10.760 ( 2.711 -1.826 0.226) 3.276 10.783 ( 0.108 -2.596 1.297) 2.904 12.051 ( 5.733 11.862 -4.252) 13.845 12.084 ( 3.433 16.435 -4.987) 17.515 12.231 ( 6.943 2.145 -5.155) 8.910 12.319 ( -0.232 5.430 -6.114) 8.180 13.175 ( -0.584 14.822 4.754) 15.577 13.286 ( -10.524 25.271 3.009) 27.539 13.657 ( 10.246 -2.290 4.128) 11.281 13.866 ( -7.360 7.635 0.105) 10.606 14.138 ( -1.220 0.851 -2.611) 3.006 14.157 ( -3.336 -1.976 -0.970) 3.997 14.460 ( -1.123 -9.594 -4.292) 10.571 14.493 ( -5.149 -12.227 -2.703) 13.539 16.571 ( 5.222 -1.135 0.243) 5.350 16.669 ( -4.250 0.238 -0.183) 4.261 16.982 ( 9.358 -18.073 -1.500) 20.407 17.124 ( -5.089 -19.244 -2.191) 20.026 29.164 ( 3.001 4.482 -0.127) 5.395 29.182 ( 1.296 3.162 -0.453) 3.447 29.242 ( -0.661 2.278 1.832) 2.997 29.284 ( -4.079 1.146 1.659) 4.550 31.177 ( 0.367 5.685 -0.917) 5.770 31.180 ( 0.096 7.436 -0.403) 7.448 31.382 ( 2.473 -5.304 -0.019) 5.852 31.433 ( -2.529 -5.940 0.153) 6.457 85.881 ( 2.886 1.272 0.188) 3.159 85.899 ( 1.830 0.824 -0.800) 2.161 86.007 ( -1.767 -2.804 3.804) 5.046 86.025 ( -2.901 -3.328 2.750) 5.202 ======================= Grid point 125 (52/162) ======================= q-point: ( 0.00 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.472 ( 0.000 -10.395 -6.036) 12.020 5.472 ( 0.000 10.395 -6.036) 12.020 5.700 ( 0.000 -10.378 -5.430) 11.713 5.700 ( 0.000 10.378 -5.430) 11.713 6.103 ( 0.000 -6.089 -6.033) 8.571 6.103 ( 0.000 6.089 -6.033) 8.571 6.344 ( 0.000 -24.363 5.071) 24.886 6.344 ( 0.000 24.363 5.071) 24.886 7.769 ( 0.000 -8.146 4.047) 9.096 7.769 ( 0.000 8.146 4.047) 9.096 8.264 ( 0.000 -7.588 1.851) 7.810 8.264 ( 0.000 7.588 1.851) 7.810 9.783 ( 0.000 -8.459 -0.671) 8.486 9.783 ( 0.000 8.459 -0.671) 8.486 9.942 ( 0.000 -6.556 -3.057) 7.234 9.942 ( 0.000 6.556 -3.057) 7.234 10.618 ( 0.000 -3.910 -0.441) 3.934 10.618 ( 0.000 3.910 -0.441) 3.934 10.680 ( 0.000 -4.200 2.995) 5.158 10.680 ( 0.000 4.200 2.995) 5.158 11.994 ( 0.000 -3.672 -3.334) 4.960 11.994 ( 0.000 3.672 -3.334) 4.960 12.147 ( 0.000 -7.613 -3.523) 8.389 12.147 ( 0.000 7.613 -3.523) 8.389 13.428 ( 0.000 -1.688 5.035) 5.310 13.428 ( 0.000 1.688 5.035) 5.310 14.072 ( 0.000 -7.791 -5.593) 9.590 14.072 ( 0.000 7.791 -5.593) 9.590 14.320 ( 0.000 -16.994 -2.656) 17.201 14.320 ( 0.000 16.994 -2.656) 17.201 14.398 ( 0.000 -3.165 -0.488) 3.202 14.398 ( 0.000 3.165 -0.488) 3.202 16.451 ( 0.000 -4.547 0.846) 4.625 16.451 ( 0.000 4.547 0.846) 4.625 16.873 ( 0.000 -12.534 -1.286) 12.600 16.873 ( 0.000 12.535 -1.286) 12.600 29.144 ( 0.000 -1.332 0.616) 1.467 29.144 ( 0.000 1.332 0.616) 1.467 29.353 ( 0.000 -3.092 0.723) 3.175 29.353 ( 0.000 3.092 0.723) 3.175 31.236 ( 0.000 -3.237 -1.229) 3.463 31.236 ( 0.000 3.237 -1.229) 3.463 31.353 ( 0.000 -7.273 0.901) 7.329 31.353 ( 0.000 7.273 0.901) 7.329 85.816 ( 0.000 -0.623 0.973) 1.155 85.816 ( 0.000 0.623 0.973) 1.155 86.071 ( 0.000 -0.653 1.349) 1.499 86.071 ( 0.000 0.653 1.349) 1.499 ======================= Grid point 127 (53/162) ======================= q-point: ( 0.20 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.526 ( 5.193 -8.921 -6.318) 12.102 5.526 ( 5.193 8.921 -6.318) 12.102 5.728 ( 2.421 -13.283 -4.672) 14.287 5.728 ( 2.421 13.283 -4.672) 14.287 6.081 ( -1.740 -2.530 -5.601) 6.387 6.081 ( -1.740 2.530 -5.601) 6.387 6.298 ( -4.579 -24.387 4.763) 25.266 6.298 ( -4.579 24.387 4.763) 25.266 7.801 ( 3.389 -7.721 3.792) 9.246 7.801 ( 3.389 7.721 3.792) 9.246 8.201 ( -6.004 -7.405 2.013) 9.744 8.201 ( -6.004 7.405 2.013) 9.744 9.765 ( -1.201 -9.253 -1.127) 9.398 9.765 ( -1.201 9.253 -1.127) 9.398 9.899 ( -3.956 -7.685 -2.069) 8.888 9.899 ( -3.956 7.685 -2.069) 8.888 10.646 ( 2.812 -4.028 -0.771) 4.972 10.646 ( 2.812 4.028 -0.771) 4.972 10.714 ( 2.492 -2.143 2.523) 4.143 10.714 ( 2.492 2.143 2.523) 4.143 12.052 ( 5.796 -3.912 -3.508) 7.824 12.052 ( 5.796 3.912 -3.508) 7.824 12.229 ( 6.772 -7.634 -4.548) 11.172 12.229 ( 6.772 7.634 -4.548) 11.172 13.411 ( -0.646 -6.438 5.211) 8.308 13.411 ( -0.646 6.438 5.211) 8.308 14.027 ( -7.076 -13.388 -3.849) 15.624 14.027 ( -7.076 13.388 -3.849) 15.624 14.242 ( -4.953 -19.590 -2.354) 20.343 14.242 ( -4.953 19.590 -2.354) 20.343 14.357 ( -3.302 -5.782 -0.880) 6.716 14.357 ( -3.302 5.782 -0.880) 6.716 16.527 ( 6.952 -8.350 0.253) 10.868 16.527 ( 6.952 8.350 0.253) 10.868 16.859 ( -1.597 -12.667 -1.311) 12.834 16.859 ( -1.597 12.667 -1.311) 12.834 29.163 ( 1.857 -1.015 0.627) 2.207 29.163 ( 1.857 1.015 0.627) 2.207 29.332 ( -2.099 -2.620 0.712) 3.432 29.332 ( -2.099 2.620 0.712) 3.432 31.248 ( 1.211 -3.589 -1.020) 3.923 31.248 ( 1.211 3.589 -1.020) 3.923 31.343 ( -0.994 -6.846 0.698) 6.953 31.343 ( -0.994 6.846 0.698) 6.953 85.840 ( 2.420 -0.644 1.008) 2.700 85.840 ( 2.420 0.644 1.008) 2.700 86.046 ( -2.395 -0.672 1.312) 2.813 86.046 ( -2.395 0.672 1.312) 2.813 ======================= Grid point 129 (54/162) ======================= q-point: ( 0.40 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.652 ( 6.738 -5.105 -6.674) 10.771 5.652 ( 6.738 5.105 -6.674) 10.771 5.748 ( -1.917 -10.184 -5.284) 11.632 5.748 ( -1.917 10.184 -5.284) 11.632 6.077 ( 2.643 -10.266 -1.873) 10.765 6.077 ( 2.643 10.266 -1.873) 10.765 6.181 ( -6.672 -21.833 2.974) 23.023 6.181 ( -6.672 21.833 2.974) 23.023 7.901 ( 6.720 -7.016 3.165) 10.218 7.901 ( 6.720 7.016 3.165) 10.218 8.053 ( -8.331 -6.968 2.484) 11.142 8.053 ( -8.331 6.968 2.484) 11.142 9.761 ( 1.188 -9.553 -1.410) 9.729 9.761 ( 1.188 9.553 -1.410) 9.729 9.815 ( -4.011 -8.907 -1.431) 9.873 9.815 ( -4.011 8.907 -1.431) 9.873 10.709 ( 3.006 -3.258 -0.117) 4.435 10.709 ( 3.006 3.258 -0.117) 4.435 10.743 ( -0.062 -1.648 1.134) 2.001 10.743 ( -0.062 1.648 1.134) 2.001 12.201 ( 8.377 -4.258 -4.485) 10.413 12.201 ( 8.378 4.258 -4.485) 10.413 12.310 ( -0.802 -5.908 -5.585) 8.170 12.310 ( -0.802 5.908 -5.585) 8.170 13.479 ( 9.323 -13.896 4.464) 17.319 13.479 ( 9.323 13.896 4.464) 17.319 13.759 ( -17.071 -18.452 1.020) 25.158 13.759 ( -17.071 18.452 1.020) 25.158 14.225 ( 2.053 -9.682 -2.763) 10.276 14.225 ( 2.053 9.682 -2.763) 10.276 14.285 ( -3.725 -7.358 -1.769) 8.435 14.285 ( -3.725 7.358 -1.769) 8.435 16.679 ( 7.592 -11.638 -0.691) 13.912 16.679 ( 7.592 11.638 -0.691) 13.912 16.800 ( -4.574 -12.683 -1.211) 13.537 16.800 ( -4.574 12.683 -1.211) 13.537 29.213 ( 3.119 -0.497 0.654) 3.225 29.213 ( 3.119 0.497 0.654) 3.225 29.277 ( -3.268 -1.482 0.686) 3.653 29.277 ( -3.268 1.482 0.686) 3.653 31.280 ( 1.850 -4.537 -0.483) 4.924 31.280 ( 1.850 4.537 -0.483) 4.924 31.316 ( -1.717 -5.776 0.170) 6.028 31.316 ( -1.717 5.776 0.170) 6.028 85.904 ( 3.903 -0.684 1.099) 4.112 85.904 ( 3.903 0.684 1.099) 4.112 85.983 ( -3.888 -0.697 1.216) 4.133 85.983 ( -3.888 0.697 1.216) 4.133 ======================= Grid point 170 (55/162) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.000 0.000 35.686) 35.686 1.633 ( 0.000 0.000 39.034) 39.034 2.715 ( 0.000 0.000 64.085) 64.085 3.666 ( 0.000 0.000 21.142) 21.142 3.893 ( 0.000 0.000 9.299) 9.299 4.013 ( 0.000 0.000 -3.288) 3.288 5.184 ( 0.000 0.000 -7.591) 7.591 5.213 ( 0.000 0.000 -4.247) 4.247 6.797 ( 0.000 0.000 -12.724) 12.724 7.055 ( 0.000 0.000 5.904) 5.904 7.255 ( 0.000 0.000 10.642) 10.642 8.022 ( 0.000 0.000 -0.737) 0.737 8.364 ( 0.000 0.000 -0.172) 0.172 8.463 ( 0.000 0.000 -1.106) 1.106 9.113 ( 0.000 0.000 0.023) 0.023 9.147 ( 0.000 0.000 -0.192) 0.192 9.432 ( 0.000 0.000 15.653) 15.653 9.614 ( 0.000 0.000 -5.597) 5.597 9.904 ( 0.000 0.000 0.719) 0.719 10.661 ( 0.000 0.000 -1.891) 1.891 11.278 ( 0.000 0.000 -6.565) 6.565 11.568 ( 0.000 0.000 -2.115) 2.115 11.820 ( 0.000 0.000 -6.387) 6.387 12.082 ( 0.000 0.000 0.027) 0.027 12.105 ( 0.000 0.000 -0.280) 0.280 12.191 ( 0.000 0.000 -0.104) 0.104 12.196 ( 0.000 0.000 -0.241) 0.241 13.074 ( 0.000 0.000 -23.079) 23.079 14.350 ( 0.000 0.000 16.550) 16.550 14.632 ( 0.000 0.000 -13.059) 13.059 14.710 ( 0.000 0.000 -4.370) 4.370 16.277 ( 0.000 0.000 8.793) 8.793 16.842 ( 0.000 0.000 34.291) 34.291 18.260 ( 0.000 0.000 -4.589) 4.589 19.197 ( 0.000 0.000 -8.958) 8.958 19.670 ( 0.000 0.000 -5.743) 5.743 27.526 ( 0.000 0.000 6.160) 6.160 27.614 ( 0.000 0.000 5.700) 5.700 28.666 ( 0.000 0.000 -4.226) 4.226 28.736 ( 0.000 0.000 -5.066) 5.066 29.826 ( 0.000 0.000 4.837) 4.837 30.766 ( 0.000 0.000 -4.604) 4.604 32.198 ( 0.000 0.000 -1.894) 1.894 32.239 ( 0.000 0.000 -6.459) 6.459 85.908 ( 0.000 0.000 0.950) 0.950 86.118 ( 0.000 0.000 8.508) 8.508 87.251 ( 0.000 0.000 29.152) 29.152 90.683 ( 0.000 0.000 -11.574) 11.574 ======================= Grid point 171 (56/162) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 21.196 0.000 29.708) 36.495 1.843 ( 19.474 0.000 29.615) 35.445 3.048 ( 28.046 0.000 54.398) 61.202 3.414 ( -29.046 0.000 7.610) 30.026 3.446 ( -16.180 0.000 21.456) 26.873 4.407 ( 20.403 0.000 -0.521) 20.410 5.163 ( -5.158 0.000 -4.018) 6.539 5.240 ( -1.238 0.000 -3.004) 3.249 6.382 ( -21.895 0.000 6.483) 22.835 6.929 ( -12.144 0.000 -0.630) 12.160 7.614 ( 20.620 0.000 -2.227) 20.740 8.115 ( 7.881 0.000 -1.014) 7.946 8.373 ( 0.865 0.000 -0.252) 0.901 8.452 ( -1.007 0.000 -1.004) 1.422 9.117 ( 0.400 0.000 -0.011) 0.400 9.145 ( -0.250 0.000 -0.182) 0.309 9.314 ( -6.801 0.000 11.878) 13.688 9.370 ( -11.643 0.000 14.487) 18.586 10.317 ( 21.616 0.000 -19.287) 28.970 10.687 ( 0.974 0.000 -6.472) 6.545 11.254 ( -1.214 0.000 -5.509) 5.642 11.479 ( -7.368 0.000 -8.242) 11.055 12.041 ( 19.715 0.000 -7.158) 20.974 12.086 ( 0.343 0.000 0.013) 0.343 12.104 ( -0.056 0.000 -0.237) 0.244 12.190 ( -0.115 0.000 -0.132) 0.175 12.194 ( -0.169 0.000 -0.241) 0.294 13.044 ( -4.414 0.000 -23.567) 23.977 14.383 ( 3.079 0.000 11.924) 12.315 14.570 ( -3.266 0.000 -8.387) 9.000 14.878 ( 13.475 0.000 -6.150) 14.812 15.987 ( -21.523 0.000 7.230) 22.705 17.128 ( 21.856 0.000 36.381) 42.441 18.221 ( -5.136 0.000 8.101) 9.592 19.154 ( -3.811 0.000 -10.154) 10.845 19.459 ( -16.312 0.000 -2.476) 16.499 27.534 ( 0.789 0.000 6.120) 6.171 27.605 ( -0.869 0.000 5.748) 5.813 28.673 ( 0.702 0.000 -4.310) 4.367 28.730 ( -0.620 0.000 -4.989) 5.028 30.083 ( 20.815 0.000 -7.005) 21.962 30.745 ( -2.325 0.000 -6.076) 6.506 32.192 ( -0.272 0.000 -2.366) 2.382 32.237 ( -0.441 0.000 -5.764) 5.781 85.903 ( -0.160 0.000 2.186) 2.192 86.066 ( -4.381 0.000 6.756) 8.052 87.467 ( 20.703 0.000 29.886) 36.357 89.985 ( -58.191 0.000 16.296) 60.429 ======================= Grid point 172 (57/162) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.207 ( 30.160 0.000 20.055) 36.219 2.317 ( 27.508 0.000 19.949) 33.980 2.818 ( -31.413 0.000 12.628) 33.857 2.871 ( -27.761 0.000 17.799) 32.977 3.942 ( 46.639 0.000 39.130) 60.879 4.759 ( 15.471 0.000 -2.130) 15.617 4.827 ( -39.262 0.000 18.598) 43.444 5.011 ( -10.326 0.000 -3.321) 10.847 6.307 ( 12.134 0.000 3.383) 12.596 6.630 ( -17.491 0.000 -0.679) 17.504 7.956 ( 15.099 0.000 -6.271) 16.349 8.175 ( -4.931 0.000 -5.980) 7.751 8.396 ( 1.459 0.000 -0.467) 1.532 8.426 ( -1.546 0.000 -0.753) 1.719 9.127 ( 0.560 0.000 -0.084) 0.566 9.137 ( -0.469 0.000 -0.147) 0.491 9.231 ( -1.653 0.000 16.188) 16.272 9.245 ( -1.691 0.000 14.551) 14.649 10.587 ( 7.062 0.000 -16.839) 18.260 10.667 ( -2.543 0.000 -11.812) 12.083 11.261 ( 1.984 0.000 -7.457) 7.717 11.337 ( -5.958 0.000 -9.761) 11.436 12.094 ( 0.449 0.000 -0.038) 0.451 12.102 ( -0.266 0.000 -0.134) 0.298 12.189 ( -0.006 0.000 -0.193) 0.193 12.190 ( -0.175 0.000 -0.233) 0.292 12.478 ( 22.441 0.000 -16.128) 27.636 12.856 ( -15.074 0.000 -21.593) 26.334 14.451 ( 3.446 0.000 3.023) 4.584 14.512 ( -2.877 0.000 -3.907) 4.852 15.192 ( 17.929 0.000 -3.296) 18.230 15.568 ( -20.456 0.000 1.724) 20.528 17.584 ( 23.616 0.000 40.346) 46.750 18.003 ( -17.536 0.000 33.203) 37.549 19.105 ( 0.656 0.000 -13.500) 13.516 19.202 ( -8.983 0.000 -10.057) 13.485 27.556 ( 1.312 0.000 6.011) 6.152 27.583 ( -1.361 0.000 5.869) 6.025 28.692 ( 1.090 0.000 -4.526) 4.655 28.713 ( -1.040 0.000 -4.785) 4.897 30.453 ( 14.960 0.000 -13.371) 20.065 30.661 ( -6.829 0.000 -10.009) 12.117 32.197 ( 0.818 0.000 -3.319) 3.418 32.219 ( -1.231 0.000 -4.586) 4.748 85.918 ( 1.970 0.000 3.405) 3.934 85.979 ( -4.064 0.000 4.341) 5.947 88.017 ( 35.237 0.000 33.293) 48.478 88.860 ( -51.467 0.000 34.896) 62.181 ======================= Grid point 175 (58/162) ======================= q-point: ( 0.00 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 0.000 18.817 33.564) 38.479 1.936 ( 0.000 33.299 32.769) 46.719 2.998 ( 0.000 33.495 52.238) 62.054 3.722 ( 0.000 5.907 19.396) 20.276 4.143 ( 0.000 23.147 10.577) 25.449 4.260 ( 0.000 22.513 -3.010) 22.713 5.209 ( 0.000 6.251 -5.759) 8.499 5.541 ( 0.000 29.316 -5.916) 29.907 6.841 ( 0.000 5.146 -12.665) 13.670 7.068 ( 0.000 1.874 4.959) 5.301 7.236 ( 0.000 -1.756 10.118) 10.270 8.007 ( 0.000 -1.236 -1.189) 1.715 8.507 ( 0.000 4.126 0.219) 4.132 8.596 ( 0.000 15.269 -2.899) 15.542 9.100 ( 0.000 0.945 0.835) 1.261 9.223 ( 0.000 7.422 -0.924) 7.479 9.435 ( 0.000 1.026 15.372) 15.406 9.766 ( 0.000 12.481 -10.104) 16.058 9.926 ( 0.000 2.287 1.894) 2.970 10.623 ( 0.000 -3.635 -2.197) 4.247 11.265 ( 0.000 -1.090 -6.265) 6.359 11.456 ( 0.000 -8.396 -3.489) 9.092 11.713 ( 0.000 -7.571 -3.476) 8.330 11.962 ( 0.000 -10.488 1.252) 10.562 12.203 ( 0.000 9.471 -0.776) 9.503 12.390 ( 0.000 16.217 -2.811) 16.459 12.446 ( 0.000 20.494 -7.834) 21.941 13.234 ( 0.000 12.912 -19.579) 23.454 14.345 ( 0.000 -0.347 12.037) 12.042 14.620 ( 0.000 -1.186 -15.098) 15.145 14.663 ( 0.000 -4.776 -3.695) 6.039 16.176 ( 0.000 -10.022 7.296) 12.396 16.866 ( 0.000 2.477 32.672) 32.766 18.200 ( 0.000 -6.127 -4.398) 7.542 19.089 ( 0.000 -10.812 -8.294) 13.627 19.404 ( 0.000 -22.789 0.866) 22.805 27.613 ( 0.000 8.548 5.907) 10.390 27.888 ( 0.000 22.889 -3.846) 23.210 28.693 ( 0.000 2.668 -3.643) 4.515 28.769 ( 0.000 3.294 -4.664) 5.710 29.868 ( 0.000 4.356 4.377) 6.175 30.761 ( 0.000 -0.387 -4.536) 4.553 32.170 ( 0.000 -2.812 -1.941) 3.417 32.196 ( 0.000 -4.297 -6.025) 7.400 85.903 ( 0.000 -0.485 0.912) 1.033 86.073 ( 0.000 -4.299 8.383) 9.421 87.188 ( 0.000 -6.170 28.056) 28.727 89.793 ( 0.000 -72.857 24.126) 76.747 ======================= Grid point 176 (59/162) ======================= q-point: ( 0.20 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 14.604 15.684 26.919) 34.408 2.119 ( 17.639 30.857 29.222) 46.013 3.292 ( 17.589 26.603 39.489) 50.759 3.502 ( -9.151 9.000 23.468) 26.749 3.695 ( -26.759 24.424 11.232) 37.930 4.648 ( 20.443 22.207 -0.673) 30.191 5.278 ( 1.651 8.901 -3.400) 9.670 5.483 ( -7.107 27.006 -4.572) 28.297 6.418 ( -22.013 4.737 6.405) 23.410 6.942 ( -12.062 1.904 -0.012) 12.212 7.605 ( 20.478 -0.772 -2.912) 20.699 8.075 ( 5.308 -3.334 -1.653) 6.482 8.509 ( 0.223 4.897 0.239) 4.908 8.567 ( -2.478 14.520 -1.736) 14.832 9.078 ( -1.535 -1.327 4.786) 5.199 9.231 ( 1.070 8.621 -0.976) 8.742 9.318 ( -7.549 0.233 13.317) 15.309 9.503 ( -10.172 11.293 7.408) 16.908 10.340 ( 20.396 2.287 -16.910) 26.593 10.657 ( 1.873 -2.988 -5.679) 6.685 11.240 ( -1.619 -1.281 -5.463) 5.840 11.400 ( -5.349 -6.487 -7.011) 10.948 11.773 ( 5.587 -13.104 -1.716) 14.348 11.966 ( 0.131 -10.501 0.972) 10.547 12.214 ( 1.116 9.587 -0.866) 9.690 12.343 ( -2.905 14.291 -2.821) 14.854 12.551 ( 9.011 21.639 -8.871) 25.063 13.208 ( -3.769 13.143 -20.040) 24.260 14.379 ( 3.091 -0.338 7.983) 8.567 14.555 ( -3.012 -1.560 -9.257) 9.859 14.826 ( 12.604 -5.154 -6.831) 15.235 15.911 ( -20.646 -7.754 5.676) 22.773 17.126 ( 20.678 -0.029 34.387) 40.126 18.165 ( -4.693 -5.692 7.155) 10.277 19.042 ( -4.150 -11.265 -9.100) 15.065 19.267 ( -10.852 -17.047 -0.964) 20.231 27.626 ( 1.326 9.016 5.809) 10.807 27.823 ( -5.118 19.212 0.497) 19.888 28.700 ( 0.730 2.699 -3.766) 4.690 28.761 ( -0.752 3.083 -4.513) 5.517 30.098 ( 18.838 1.771 -5.230) 19.631 30.739 ( -2.497 -0.539 -5.806) 6.343 32.163 ( -0.349 -2.913 -2.532) 3.876 32.195 ( -0.309 -4.128 -5.215) 6.658 85.897 ( -0.244 -0.577 2.170) 2.259 86.034 ( -3.402 -3.092 6.385) 7.868 87.376 ( 18.050 -8.824 29.009) 35.287 89.347 ( -38.909 -54.518 32.908) 74.626 ======================= Grid point 177 (60/162) ======================= q-point: ( 0.40 0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 24.001 10.033 17.638) 31.429 2.556 ( 23.572 24.398 21.499) 40.163 2.927 ( -24.552 11.242 15.608) 31.189 3.149 ( -28.323 26.018 17.240) 42.147 4.132 ( 44.019 20.980 33.678) 59.262 4.953 ( -28.979 14.096 13.966) 35.121 5.016 ( 8.899 23.702 -1.416) 25.357 5.272 ( -11.145 24.607 -3.835) 27.284 6.332 ( 11.437 3.755 4.222) 12.757 6.645 ( -17.234 2.416 0.281) 17.405 7.925 ( 12.998 -2.319 -5.813) 14.427 8.105 ( -4.183 -5.118 -4.953) 8.260 8.512 ( 0.102 6.868 -0.379) 6.879 8.525 ( -1.442 10.396 -0.467) 10.506 9.088 ( 2.949 -1.948 9.428) 10.069 9.175 ( -5.632 1.543 8.182) 10.052 9.297 ( 3.979 8.385 4.715) 10.410 9.378 ( -4.135 11.316 6.906) 13.886 10.596 ( 6.471 0.897 -14.722) 16.106 10.660 ( -1.391 -0.730 -10.701) 10.816 11.233 ( 1.165 -2.536 -7.261) 7.779 11.290 ( -4.726 -4.147 -9.167) 11.116 11.887 ( 4.973 -15.713 -0.742) 16.498 11.953 ( -1.832 -12.395 0.302) 12.533 12.244 ( 1.973 10.035 -1.169) 10.294 12.289 ( -2.533 11.572 -1.787) 11.981 12.784 ( 14.064 19.146 -13.564) 27.356 13.053 ( -11.920 14.874 -18.051) 26.252 14.446 ( 3.332 -0.432 0.137) 3.363 14.503 ( -2.586 -0.877 -5.726) 6.344 15.127 ( 17.567 -6.522 -3.810) 19.121 15.499 ( -20.351 -6.911 0.781) 21.506 17.562 ( 22.652 -2.056 37.033) 43.460 17.961 ( -16.520 -4.154 29.845) 34.364 18.992 ( 0.873 -11.033 -12.646) 16.806 19.081 ( -7.448 -11.571 -9.596) 16.776 27.664 ( 2.629 10.597 5.412) 12.185 27.730 ( -4.089 13.863 4.183) 15.046 28.719 ( 1.131 2.762 -4.019) 5.006 28.742 ( -1.112 2.871 -4.291) 5.282 30.444 ( 14.489 -0.640 -11.251) 18.356 30.650 ( -7.022 -0.864 -9.036) 11.476 32.165 ( 0.564 -3.222 -3.259) 4.617 32.182 ( -0.957 -3.734 -4.210) 5.709 85.909 ( 1.730 -0.846 3.259) 3.786 85.962 ( -3.470 -1.591 4.015) 5.540 87.851 ( 29.891 -15.794 32.752) 47.070 88.537 ( -39.834 -29.565 37.052) 61.917 ======================= Grid point 180 (61/162) ======================= q-point: ( 0.00 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 0.000 29.603 23.766) 37.962 2.453 ( 0.000 22.295 36.017) 42.359 3.895 ( 0.000 11.624 15.233) 19.161 4.028 ( 0.000 65.277 28.067) 71.055 4.675 ( 0.000 28.284 12.861) 31.071 4.700 ( 0.000 17.601 -4.622) 18.197 5.487 ( 0.000 23.001 1.063) 23.026 6.258 ( 0.000 39.903 -9.670) 41.058 7.019 ( 0.000 13.177 -12.120) 17.903 7.154 ( 0.000 3.441 -3.682) 5.040 7.234 ( 0.000 8.580 14.523) 16.868 7.981 ( 0.000 -1.165 -2.413) 2.679 8.601 ( 0.000 4.936 2.523) 5.543 8.779 ( 0.000 5.362 5.394) 7.605 9.148 ( 0.000 1.146 1.781) 2.118 9.411 ( 0.000 10.961 -2.517) 11.247 9.530 ( 0.000 9.789 8.666) 13.074 9.990 ( 0.000 4.068 4.817) 6.305 10.000 ( 0.000 10.353 -7.969) 13.065 10.537 ( 0.000 -4.376 -3.327) 5.497 11.248 ( 0.000 -0.415 -5.102) 5.119 11.286 ( 0.000 -8.865 -8.069) 11.987 11.578 ( 0.000 -5.987 -1.905) 6.282 11.763 ( 0.000 -8.851 3.578) 9.547 12.454 ( 0.000 15.577 -1.333) 15.634 12.748 ( 0.000 19.476 -3.954) 19.873 12.792 ( 0.000 12.566 -7.261) 14.513 13.461 ( 0.000 8.641 -11.383) 14.292 14.345 ( 0.000 0.476 0.665) 0.818 14.531 ( 0.000 -8.439 -1.823) 8.634 14.587 ( 0.000 -2.190 -18.803) 18.930 15.907 ( 0.000 -16.795 3.292) 17.114 16.934 ( 0.000 4.296 27.611) 27.944 18.026 ( 0.000 -11.546 -3.887) 12.182 18.793 ( 0.000 -18.928 -6.645) 20.060 18.943 ( 0.000 -22.360 2.416) 22.491 27.841 ( 0.000 14.274 5.208) 15.194 28.331 ( 0.000 20.379 -8.891) 22.234 28.766 ( 0.000 4.708 -2.075) 5.145 28.861 ( 0.000 6.043 -3.436) 6.951 29.994 ( 0.000 8.443 3.195) 9.027 30.758 ( 0.000 0.259 -4.397) 4.404 32.078 ( 0.000 -7.523 -4.913) 8.985 32.092 ( 0.000 -5.021 -2.083) 5.436 85.890 ( 0.000 -0.839 0.796) 1.157 85.972 ( 0.000 -5.473 7.346) 9.161 87.024 ( 0.000 -10.189 25.032) 27.026 88.446 ( 0.000 -58.798 42.882) 72.774 ======================= Grid point 181 (62/162) ======================= q-point: ( 0.20 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 8.356 24.568 21.717) 33.838 2.666 ( 18.127 25.033 30.782) 43.621 3.646 ( -21.645 12.846 13.696) 28.655 4.191 ( -7.784 37.644 13.881) 40.870 4.288 ( 3.683 48.826 26.445) 55.649 5.087 ( 19.830 17.747 -2.428) 26.723 5.605 ( 7.240 25.694 -0.795) 26.707 6.147 ( -12.994 36.508 -6.064) 39.223 6.615 ( -17.803 15.596 2.800) 23.833 7.064 ( -10.693 13.872 3.082) 17.784 7.596 ( 19.320 0.427 -4.858) 19.926 8.014 ( 2.381 -2.389 -2.507) 4.203 8.601 ( 0.211 3.585 1.653) 3.953 8.782 ( -0.399 7.640 4.187) 8.721 9.101 ( -4.335 2.022 3.311) 5.818 9.341 ( -7.713 4.606 12.056) 15.035 9.471 ( 0.306 13.776 -1.415) 13.852 9.741 ( -7.581 12.330 4.317) 15.105 10.395 ( 17.860 2.927 -10.754) 21.052 10.585 ( 3.731 -3.635 -4.361) 6.794 11.216 ( -2.659 -0.920 -4.663) 5.446 11.264 ( -2.626 -7.213 -8.247) 11.266 11.564 ( 0.372 -8.462 -1.752) 8.649 11.770 ( -0.223 -8.523 2.734) 8.954 12.467 ( 1.407 15.655 -1.469) 15.787 12.672 ( -4.762 17.731 -4.593) 18.925 12.895 ( 7.630 12.747 -5.908) 15.988 13.435 ( -3.613 8.378 -11.512) 14.689 14.377 ( 2.934 0.150 -1.568) 3.330 14.505 ( -1.299 -3.827 -8.334) 9.262 14.694 ( 9.680 -7.475 -10.661) 16.225 15.693 ( -18.155 -14.106 1.805) 23.062 17.135 ( 17.221 1.017 28.356) 33.191 18.004 ( -3.232 -10.617 4.600) 12.013 18.740 ( -4.053 -18.665 -7.038) 20.355 18.896 ( -4.417 -19.635 -1.978) 20.223 27.865 ( 2.400 14.791 5.012) 15.801 28.229 ( -8.543 20.400 -3.904) 22.458 28.774 ( 0.780 4.725 -2.267) 5.298 28.846 ( -1.227 5.507 -3.089) 6.433 30.165 ( 14.460 5.258 -2.497) 15.588 30.733 ( -2.730 0.191 -5.206) 5.882 32.074 ( -0.256 -6.700 -4.157) 7.889 32.091 ( -0.252 -5.735 -2.645) 6.321 85.881 ( -0.447 -1.064 2.255) 2.534 85.960 ( -1.326 -4.037 4.963) 6.534 87.150 ( 12.233 -13.490 26.230) 31.932 88.271 ( -16.459 -50.113 41.033) 66.827 ======================= Grid point 182 (63/162) ======================= q-point: ( 0.40 0.12 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 19.093 19.253 15.123) 31.047 2.991 ( -0.995 20.006 15.235) 25.166 3.279 ( 1.292 21.646 22.853) 31.504 3.700 ( -27.127 26.745 20.128) 43.085 4.806 ( 32.518 46.881 20.911) 60.766 5.356 ( -8.507 24.166 4.915) 26.086 5.578 ( 1.171 31.037 -3.804) 31.291 5.817 ( -14.589 26.486 -2.868) 30.374 6.545 ( 8.603 20.326 4.983) 22.627 6.802 ( -14.883 17.151 4.142) 23.083 7.884 ( 10.527 -1.629 -6.038) 12.245 8.019 ( -3.072 -3.329 -4.184) 6.167 8.627 ( 2.990 4.099 0.345) 5.085 8.718 ( -5.548 7.812 0.169) 9.583 9.084 ( 3.779 1.960 11.983) 12.717 9.198 ( -6.842 2.413 14.292) 16.028 9.536 ( 5.046 14.264 -1.495) 15.204 9.633 ( -4.635 13.974 2.101) 14.872 10.619 ( 5.011 1.455 -9.742) 11.052 10.642 ( 1.488 -0.928 -7.979) 8.169 11.178 ( -0.615 -2.883 -6.145) 6.816 11.200 ( -2.791 -4.704 -9.040) 10.566 11.628 ( 5.432 -10.339 -0.424) 11.687 11.730 ( -4.051 -9.284 1.366) 10.221 12.509 ( 2.905 16.060 -2.030) 16.446 12.581 ( -4.305 16.927 -3.186) 17.754 13.079 ( 10.939 10.239 -7.108) 16.584 13.296 ( -10.134 8.527 -9.720) 16.428 14.438 ( 2.881 -0.360 -6.291) 6.929 14.481 ( -1.499 -1.415 -9.063) 9.295 14.953 ( 16.245 -10.728 -5.752) 20.300 15.309 ( -19.644 -12.115 -1.827) 23.152 17.510 ( 19.534 -3.248 28.435) 34.651 17.846 ( -13.449 -7.525 21.519) 26.469 18.707 ( 1.724 -17.271 -11.001) 20.550 18.790 ( -5.707 -17.253 -8.532) 20.075 27.936 ( 4.974 16.339 4.174) 17.582 28.061 ( -7.777 18.656 1.739) 20.287 28.795 ( 1.232 4.789 -2.584) 5.579 28.820 ( -1.345 4.990 -2.858) 5.906 30.448 ( 12.768 1.501 -7.327) 14.798 30.641 ( -7.014 0.260 -6.988) 9.904 32.074 ( 0.233 -6.172 -3.446) 7.073 32.082 ( -0.547 -6.094 -3.051) 6.837 85.887 ( 1.222 -1.340 2.879) 3.403 85.923 ( -2.156 -2.237 3.059) 4.361 87.468 ( 19.403 -21.703 29.965) 41.778 87.879 ( -21.750 -34.269 35.796) 54.118 ======================= Grid point 185 (64/162) ======================= q-point: ( 0.00 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 0.000 24.854 26.582) 36.392 2.942 ( 0.000 34.122 15.823) 37.612 4.165 ( 0.000 15.762 10.227) 18.789 4.932 ( 0.000 8.522 -6.645) 10.807 5.111 ( 0.000 22.865 9.209) 24.650 5.391 ( 0.000 63.910 20.555) 67.135 5.950 ( 0.000 18.682 11.456) 21.915 6.882 ( 0.000 15.834 -12.513) 20.181 7.232 ( 0.000 16.656 -1.240) 16.702 7.318 ( 0.000 15.224 -7.122) 16.808 7.735 ( 0.000 36.662 1.629) 36.698 7.975 ( 0.000 0.799 -3.829) 3.912 8.689 ( 0.000 4.672 5.268) 7.042 8.893 ( 0.000 5.615 7.727) 9.551 9.146 ( 0.000 2.033 4.219) 4.683 9.626 ( 0.000 10.772 -3.716) 11.395 9.779 ( 0.000 14.362 2.445) 14.568 10.068 ( 0.000 3.795 5.441) 6.634 10.171 ( 0.000 8.091 -1.432) 8.217 10.494 ( 0.000 0.951 -3.847) 3.963 11.114 ( 0.000 -8.648 -9.038) 12.509 11.243 ( 0.000 -0.724 -1.195) 1.398 11.490 ( 0.000 -2.360 -4.284) 4.891 11.625 ( 0.000 -5.458 2.755) 6.114 12.781 ( 0.000 17.157 -1.386) 17.213 12.923 ( 0.000 1.738 1.853) 2.541 13.119 ( 0.000 17.830 -2.842) 18.055 13.553 ( 0.000 1.288 -2.879) 3.154 14.349 ( 0.000 -9.672 0.658) 9.694 14.354 ( 0.000 -0.277 -9.622) 9.626 14.543 ( 0.000 -1.899 -19.915) 20.006 15.554 ( 0.000 -18.452 -1.890) 18.549 17.019 ( 0.000 3.889 19.824) 20.202 17.758 ( 0.000 -15.640 -3.221) 15.968 18.373 ( 0.000 -23.560 -4.595) 24.004 18.551 ( 0.000 -18.108 -2.129) 18.233 28.145 ( 0.000 16.301 4.134) 16.817 28.662 ( 0.000 13.637 -6.791) 15.234 28.872 ( 0.000 5.963 -0.016) 5.963 29.000 ( 0.000 8.022 -1.399) 8.143 30.192 ( 0.000 11.674 1.784) 11.809 30.779 ( 0.000 2.013 -4.263) 4.714 31.913 ( 0.000 -9.125 -3.507) 9.775 31.980 ( 0.000 -6.327 -2.171) 6.689 85.872 ( 0.000 -0.974 0.609) 1.149 85.877 ( 0.000 -4.039 5.175) 6.564 86.809 ( 0.000 -11.440 20.764) 23.707 87.524 ( 0.000 -37.147 34.372) 50.609 ======================= Grid point 186 (65/162) ======================= q-point: ( 0.20 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 4.792 28.730 16.824) 33.637 3.168 ( 16.794 27.377 21.720) 38.773 3.940 ( -18.897 17.257 9.413) 27.267 4.653 ( -23.206 17.634 11.397) 31.295 5.327 ( 17.196 9.663 -2.573) 19.893 5.507 ( 12.150 63.292 17.731) 66.843 6.082 ( 6.974 17.206 3.490) 18.891 6.842 ( -12.056 35.639 -8.367) 38.542 6.903 ( -7.795 11.542 4.068) 14.509 7.557 ( 1.003 24.169 -1.396) 24.230 7.692 ( 4.345 17.894 -2.756) 18.619 8.002 ( 1.525 2.527 -3.163) 4.327 8.639 ( -2.625 1.073 3.170) 4.254 8.907 ( -1.272 3.287 5.716) 6.715 9.146 ( 0.369 6.351 4.009) 7.519 9.496 ( -10.763 10.729 8.302) 17.317 9.743 ( 1.122 13.191 -2.348) 13.446 9.975 ( -4.173 11.882 2.689) 12.877 10.435 ( 15.034 1.107 -5.080) 15.907 10.562 ( 5.769 2.505 -3.218) 7.065 11.116 ( -0.119 -7.754 -8.958) 11.848 11.199 ( -4.140 -1.544 -0.263) 4.426 11.453 ( -1.233 -2.345 -4.326) 5.073 11.645 ( 0.383 -4.371 1.464) 4.625 12.791 ( 1.107 16.408 -1.282) 16.495 12.928 ( -0.249 5.206 0.193) 5.215 13.121 ( 1.231 14.008 -1.296) 14.121 13.519 ( -4.168 0.888 -2.758) 5.076 14.350 ( 2.338 -5.696 -2.784) 6.757 14.411 ( 3.034 -3.492 -7.674) 8.961 14.577 ( 4.175 -3.829 -17.969) 18.841 15.388 ( -14.962 -16.248 -2.918) 22.279 17.155 ( 12.249 0.562 19.718) 23.219 17.757 ( -1.064 -14.569 1.927) 14.734 18.341 ( -2.082 -21.962 -6.150) 22.902 18.524 ( -2.899 -18.051 -3.954) 18.705 28.177 ( 3.190 16.564 3.885) 17.310 28.583 ( -7.291 15.572 -4.096) 17.675 28.879 ( 0.770 5.922 -0.214) 5.975 28.971 ( -2.232 7.161 -0.796) 7.543 30.305 ( 9.920 9.026 -1.120) 13.459 30.755 ( -2.587 2.188 -4.615) 5.725 31.918 ( 0.470 -8.794 -3.327) 9.414 31.972 ( -0.786 -6.553 -2.226) 6.965 85.854 ( -0.438 -1.686 2.937) 3.415 85.892 ( 0.262 -2.566 2.110) 3.332 86.877 ( 6.733 -13.937 21.812) 26.746 87.453 ( -7.009 -34.189 32.650) 47.792 ======================= Grid point 187 (66/162) ======================= q-point: ( 0.40 0.19 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( 14.880 26.032 10.657) 31.822 3.409 ( -8.749 23.273 8.315) 26.216 3.696 ( 11.655 21.314 22.348) 33.008 4.148 ( -26.630 19.829 19.551) 38.530 5.673 ( 16.330 9.692 -4.456) 19.505 5.806 ( 11.851 43.723 10.023) 46.396 6.092 ( 0.148 21.368 -3.744) 21.694 6.413 ( -23.672 41.106 4.718) 47.669 7.052 ( 14.482 26.855 6.244) 31.143 7.356 ( -14.811 33.258 5.700) 36.850 7.880 ( 8.551 2.498 -5.918) 10.695 7.993 ( -2.980 1.914 -3.790) 5.187 8.654 ( 4.526 -1.140 0.615) 4.708 8.794 ( -8.499 -0.398 0.724) 8.539 9.198 ( 4.978 10.955 9.006) 15.030 9.321 ( -7.280 10.953 12.356) 18.045 9.809 ( 4.705 12.997 -2.408) 14.031 9.899 ( -4.099 12.873 0.283) 13.512 10.635 ( 5.413 0.959 -7.150) 9.019 10.663 ( 2.727 3.525 -4.431) 6.284 11.103 ( -0.740 -5.442 -7.358) 9.181 11.119 ( -2.873 -3.413 -2.193) 4.971 11.498 ( 5.408 -2.571 -2.728) 6.581 11.607 ( -4.353 -3.199 -0.297) 5.410 12.828 ( 2.730 15.168 -1.446) 15.479 12.891 ( -3.195 12.719 -1.580) 13.209 13.206 ( 7.443 5.032 0.018) 8.984 13.381 ( -9.214 1.166 -1.323) 9.381 14.414 ( 2.950 -3.170 -7.246) 8.441 14.443 ( 0.027 -2.469 -9.668) 9.978 14.742 ( 12.908 -9.659 -10.467) 19.222 15.053 ( -17.701 -13.293 -5.511) 22.812 17.429 ( 14.239 -5.477 18.190) 23.741 17.666 ( -8.888 -11.109 12.621) 19.018 18.345 ( 3.113 -19.322 -9.290) 21.665 18.439 ( -5.390 -18.044 -7.426) 20.243 28.270 ( 6.287 17.153 2.871) 18.493 28.418 ( -8.606 17.278 0.327) 19.306 28.900 ( 1.324 5.903 -0.503) 6.071 28.931 ( -1.781 6.182 -0.648) 6.466 30.512 ( 9.963 5.145 -4.446) 12.062 30.671 ( -6.131 2.985 -5.164) 8.554 31.931 ( 0.924 -8.008 -2.888) 8.563 31.952 ( -1.122 -7.167 -2.455) 7.658 85.860 ( 0.939 -1.362 2.331) 2.858 85.883 ( -1.073 -1.767 1.712) 2.684 87.054 ( 10.718 -19.972 24.600) 33.450 87.271 ( -10.851 -27.389 28.654) 41.097 ======================= Grid point 190 (67/162) ======================= q-point: ( 0.00 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.418 ( 0.000 27.098 13.729) 30.378 3.623 ( 0.000 35.211 10.334) 36.696 4.500 ( 0.000 18.225 5.818) 19.132 5.087 ( 0.000 7.819 -7.598) 10.903 5.411 ( 0.000 10.928 7.281) 13.132 6.161 ( 0.000 4.773 14.466) 15.233 6.591 ( 0.000 53.876 13.162) 55.460 6.897 ( 0.000 -6.137 -7.022) 9.326 7.540 ( 0.000 7.649 1.140) 7.733 7.841 ( 0.000 34.979 -8.715) 36.049 8.010 ( 0.000 2.117 -4.633) 5.093 8.299 ( 0.000 13.884 -6.804) 15.462 8.869 ( 0.000 14.765 12.177) 19.138 8.899 ( 0.000 -2.695 11.858) 12.160 9.354 ( 0.000 16.017 -4.707) 16.694 9.841 ( 0.000 11.671 -4.355) 12.457 10.048 ( 0.000 11.510 2.870) 11.863 10.191 ( 0.000 11.809 -0.660) 11.828 10.406 ( 0.000 19.479 0.364) 19.483 10.572 ( 0.000 6.131 -1.697) 6.362 10.954 ( 0.000 -7.595 -5.659) 9.472 11.195 ( 0.000 -3.900 3.231) 5.065 11.517 ( 0.000 5.219 -8.745) 10.184 11.547 ( 0.000 -2.511 -0.505) 2.562 12.906 ( 0.000 -2.271 7.480) 7.817 13.093 ( 0.000 14.087 -0.736) 14.106 13.419 ( 0.000 12.337 -0.251) 12.339 13.544 ( 0.000 -1.292 1.837) 2.246 14.182 ( 0.000 -6.511 2.626) 7.020 14.311 ( 0.000 -3.923 -13.077) 13.652 14.523 ( 0.000 -0.351 -17.544) 17.547 15.218 ( 0.000 -15.271 -6.461) 16.581 17.066 ( 0.000 0.384 11.830) 11.836 17.427 ( 0.000 -17.847 -2.645) 18.042 17.892 ( 0.000 -25.254 -2.389) 25.367 18.216 ( 0.000 -16.669 -5.479) 17.546 28.458 ( 0.000 15.303 2.747) 15.548 28.873 ( 0.000 8.411 -4.237) 9.418 28.995 ( 0.000 6.532 1.924) 6.810 29.165 ( 0.000 8.494 0.783) 8.530 30.440 ( 0.000 13.399 0.635) 13.415 30.838 ( 0.000 3.929 -4.086) 5.669 31.733 ( 0.000 -9.093 -2.110) 9.335 31.852 ( 0.000 -6.619 -1.997) 6.914 85.818 ( 0.000 -1.922 2.919) 3.496 85.853 ( 0.000 -0.857 0.384) 0.939 86.591 ( 0.000 -10.638 16.060) 19.264 86.937 ( 0.000 -24.156 22.762) 33.191 ======================= Grid point 191 (68/162) ======================= q-point: ( 0.20 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.464 ( 5.237 28.632 10.128) 30.818 3.742 ( 11.192 31.160 12.241) 35.299 4.310 ( -15.627 20.295 5.036) 26.104 4.936 ( -18.452 12.293 7.375) 23.366 5.473 ( 11.649 6.426 -2.340) 13.508 6.248 ( 0.306 3.690 2.662) 4.560 6.663 ( 8.899 48.288 12.404) 50.643 6.982 ( 10.203 0.134 3.599) 10.820 7.473 ( -6.459 19.616 -2.244) 20.773 7.894 ( 2.043 22.707 -4.918) 23.323 7.969 ( -2.040 5.511 -3.964) 7.089 8.295 ( -0.456 15.479 -3.770) 15.938 8.699 ( -10.724 6.902 10.816) 16.722 8.885 ( -4.888 -2.199 4.841) 7.222 9.418 ( 4.745 18.352 -1.252) 18.997 9.772 ( -6.954 17.788 4.029) 19.519 9.959 ( 0.273 8.388 -0.684) 8.420 10.236 ( -3.437 15.632 -1.208) 16.051 10.516 ( 11.606 10.219 -3.564) 15.869 10.678 ( 7.843 9.121 -2.123) 12.215 10.966 ( 1.096 -7.378 -5.110) 9.042 11.145 ( -4.648 -3.493 2.834) 6.469 11.481 ( -0.394 4.564 -7.033) 8.393 11.602 ( 2.292 0.359 -2.493) 3.406 12.914 ( 1.216 -2.478 7.026) 7.549 13.093 ( -0.209 11.965 0.144) 11.967 13.397 ( -1.929 12.287 -0.997) 12.477 13.511 ( -3.796 -0.413 1.250) 4.018 14.197 ( 3.021 -7.376 1.509) 8.112 14.352 ( 2.701 -3.795 -10.641) 11.616 14.536 ( 1.525 -1.103 -17.331) 17.433 15.091 ( -11.802 -13.472 -6.850) 19.176 17.132 ( 6.145 -3.712 11.307) 13.394 17.448 ( 0.891 -16.586 0.768) 16.627 17.895 ( 1.186 -23.214 -4.435) 23.664 18.190 ( -2.871 -16.595 -5.907) 17.848 28.491 ( 3.363 15.255 2.480) 15.817 28.833 ( -4.136 10.103 -3.375) 11.427 29.001 ( 0.662 6.441 1.820) 6.726 29.121 ( -3.557 8.090 1.650) 8.990 30.508 ( 6.187 11.473 -0.790) 13.059 30.819 ( -1.976 4.313 -4.119) 6.283 31.743 ( 1.040 -8.829 -2.079) 9.130 31.840 ( -1.210 -6.827 -1.988) 7.212 85.822 ( 0.486 -1.299 2.377) 2.752 85.859 ( 0.326 -1.042 0.437) 1.176 86.620 ( 2.977 -12.179 16.734) 20.910 86.902 ( -3.461 -23.018 22.020) 32.042 ======================= Grid point 192 (69/162) ======================= q-point: ( 0.40 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.634 ( 12.034 28.231 5.398) 31.159 3.894 ( -9.353 26.121 3.098) 27.917 4.126 ( 11.307 22.889 16.262) 30.269 4.509 ( -22.612 17.768 14.939) 32.406 5.774 ( 16.962 3.065 -5.916) 18.224 6.088 ( -13.966 2.223 -5.705) 15.249 6.908 ( 14.121 42.696 10.113) 46.094 7.144 ( -5.184 23.398 11.745) 26.688 7.433 ( 11.786 14.289 -2.506) 18.691 7.740 ( -13.995 4.757 -1.075) 14.820 8.067 ( 7.648 17.934 0.135) 19.497 8.224 ( -7.513 20.796 3.165) 22.337 8.601 ( 2.591 -3.766 1.252) 4.740 8.734 ( -8.922 -4.415 -0.469) 9.966 9.517 ( 5.626 20.235 3.463) 21.286 9.638 ( -6.527 20.405 6.161) 22.292 10.028 ( 5.378 9.456 -1.667) 11.005 10.140 ( -5.619 12.460 -0.501) 13.678 10.720 ( 7.964 9.282 -7.755) 14.482 10.788 ( 1.714 9.946 -4.921) 11.228 10.989 ( 1.387 -5.872 -2.532) 6.543 11.045 ( -4.600 -3.608 1.469) 6.028 11.525 ( 4.381 4.908 -5.560) 8.613 11.603 ( -2.395 2.742 -3.461) 5.023 12.969 ( 4.470 -1.288 5.571) 7.257 13.061 ( -3.673 5.020 2.834) 6.835 13.369 ( -0.018 10.630 -1.630) 10.754 13.415 ( -4.564 4.634 -0.093) 6.504 14.303 ( 6.196 -7.183 -1.648) 9.628 14.376 ( -0.880 -4.555 -7.486) 8.807 14.608 ( 6.878 -4.305 -14.333) 16.471 14.822 ( -13.970 -9.733 -8.661) 19.102 17.276 ( 7.879 -10.567 9.691) 16.360 17.411 ( -5.002 -14.855 6.764) 17.071 17.970 ( 6.238 -18.697 -7.246) 21.000 18.100 ( -6.137 -16.683 -6.861) 19.054 28.586 ( 6.136 14.854 1.456) 16.137 28.719 ( -6.968 13.268 -0.766) 15.006 29.021 ( 1.389 6.367 1.749) 6.747 29.058 ( -2.550 6.847 1.927) 7.556 30.644 ( 6.827 8.101 -2.914) 10.988 30.756 ( -4.499 5.613 -3.945) 8.204 31.771 ( 1.764 -8.165 -2.017) 8.593 31.808 ( -1.872 -7.399 -1.983) 7.885 85.838 ( 1.086 -0.756 1.434) 1.951 85.857 ( -0.633 -0.843 0.673) 1.251 86.703 ( 5.223 -15.903 18.316) 24.812 86.811 ( -5.476 -19.975 20.256) 28.970 ======================= Grid point 195 (70/162) ======================= q-point: ( 0.00 0.31 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.946 ( 0.000 26.671 2.149) 26.758 4.303 ( 0.000 34.073 6.308) 34.652 4.863 ( 0.000 18.504 2.428) 18.663 5.244 ( 0.000 8.313 -8.694) 12.029 5.580 ( 0.000 7.028 3.115) 7.688 6.198 ( 0.000 -0.213 13.322) 13.324 6.720 ( 0.000 -11.795 -9.592) 15.203 7.289 ( 0.000 12.958 6.573) 14.530 7.733 ( 0.000 15.349 7.401) 17.040 8.001 ( 0.000 -4.588 -1.814) 4.934 8.218 ( 0.000 -0.630 -4.563) 4.607 8.562 ( 0.000 18.125 -6.214) 19.161 8.949 ( 0.000 11.049 8.411) 13.887 9.092 ( 0.000 8.732 8.352) 12.083 9.634 ( 0.000 12.058 -7.277) 14.084 10.007 ( 0.000 3.827 -0.151) 3.830 10.220 ( 0.000 7.395 4.507) 8.661 10.562 ( 0.000 16.158 -6.328) 17.352 10.740 ( 0.000 14.432 -0.454) 14.439 10.791 ( 0.000 -2.482 0.182) 2.489 10.980 ( 0.000 29.304 -4.447) 29.639 11.152 ( 0.000 3.285 0.388) 3.308 11.535 ( 0.000 1.766 -2.880) 3.379 11.673 ( 0.000 9.977 -10.212) 14.277 12.889 ( 0.000 2.186 7.877) 8.174 13.314 ( 0.000 8.513 0.957) 8.566 13.530 ( 0.000 0.383 5.058) 5.073 13.591 ( 0.000 5.794 1.817) 6.073 14.126 ( 0.000 0.891 3.495) 3.607 14.219 ( 0.000 -5.114 -12.946) 13.919 14.513 ( 0.000 -0.964 -13.677) 13.711 14.973 ( 0.000 -9.775 -8.941) 13.248 17.021 ( 0.000 -5.077 5.860) 7.753 17.077 ( 0.000 -17.523 -2.426) 17.690 17.402 ( 0.000 -24.454 -0.029) 24.454 17.883 ( 0.000 -17.744 -6.122) 18.771 28.732 ( 0.000 12.604 1.408) 12.683 29.005 ( 0.000 5.380 -2.291) 5.848 29.121 ( 0.000 6.189 3.101) 6.923 29.314 ( 0.000 6.414 2.045) 6.732 30.704 ( 0.000 13.411 -0.038) 13.411 30.927 ( 0.000 5.035 -3.737) 6.270 31.566 ( 0.000 -7.809 -0.901) 7.861 31.726 ( 0.000 -6.166 -1.438) 6.331 85.799 ( 0.000 -0.155 1.474) 1.482 85.840 ( 0.000 -0.510 0.218) 0.555 86.400 ( 0.000 -8.797 11.532) 14.504 86.550 ( 0.000 -16.010 13.608) 21.012 ======================= Grid point 196 (71/162) ======================= q-point: ( 0.20 0.31 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( 6.172 26.975 1.336) 27.704 4.366 ( 6.202 32.144 6.992) 33.475 4.718 ( -12.076 21.130 1.162) 24.366 5.154 ( -12.410 10.244 2.323) 16.259 5.592 ( 7.120 5.925 -3.299) 9.833 6.265 ( -1.375 -0.944 1.191) 2.049 6.807 ( 12.819 -11.483 1.133) 17.248 7.347 ( 4.666 10.715 6.139) 13.201 7.729 ( -0.479 14.057 5.188) 14.991 7.940 ( -6.070 -4.451 -0.512) 7.545 8.285 ( 6.173 -0.970 -3.273) 7.054 8.545 ( -1.127 20.203 -4.688) 20.770 8.856 ( -8.926 6.841 3.846) 11.886 8.949 ( -11.522 13.499 8.302) 19.594 9.727 ( 6.806 11.486 -3.963) 13.927 10.057 ( 3.412 2.754 0.147) 4.387 10.116 ( -5.605 14.028 3.629) 15.536 10.538 ( -3.944 12.389 -3.613) 13.494 10.822 ( 3.985 -0.974 0.313) 4.115 10.845 ( 6.417 9.647 -0.586) 11.601 10.990 ( 1.643 23.746 -6.119) 24.576 11.149 ( -0.169 10.431 -2.033) 10.628 11.581 ( 4.224 5.602 -4.691) 8.440 11.697 ( 2.013 9.421 -8.846) 13.079 12.881 ( -0.050 0.945 8.169) 8.223 13.248 ( -6.422 4.184 3.607) 8.471 13.540 ( 0.493 4.448 1.492) 4.718 13.580 ( -0.986 6.033 0.896) 6.178 14.103 ( 0.564 -2.131 0.166) 2.211 14.273 ( 2.887 -3.696 -7.397) 8.759 14.512 ( 0.222 -1.573 -13.556) 13.649 14.877 ( -8.979 -8.464 -8.475) 14.969 16.982 ( -0.423 -11.925 4.047) 12.600 17.137 ( 1.264 -14.640 1.902) 14.817 17.457 ( 6.247 -21.029 -2.651) 22.097 17.860 ( -2.537 -17.497 -6.213) 18.740 28.762 ( 2.978 12.336 1.131) 12.740 28.989 ( -1.686 6.265 -2.196) 6.850 29.125 ( 0.484 6.048 3.143) 6.834 29.271 ( -3.921 6.699 2.783) 8.246 30.741 ( 3.391 12.081 -0.747) 12.570 30.917 ( -1.076 5.518 -3.592) 6.672 31.581 ( 1.446 -7.660 -0.969) 7.855 31.710 ( -1.572 -6.320 -1.402) 6.662 85.810 ( 1.028 0.067 1.218) 1.595 85.846 ( 0.486 -0.344 0.092) 0.602 86.406 ( 0.698 -9.724 11.890) 15.376 86.530 ( -1.981 -15.558 13.451) 20.662 ======================= Grid point 197 (72/162) ======================= q-point: ( 0.40 0.31 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.179 ( 11.064 27.257 -0.154) 29.417 4.417 ( -10.896 27.005 -0.777) 29.131 4.586 ( 9.241 24.055 9.783) 27.564 4.854 ( -15.827 17.666 8.953) 25.352 5.819 ( 14.009 1.649 -7.045) 15.767 6.095 ( -13.138 -0.945 -6.746) 14.799 7.167 ( 19.257 -10.299 9.007) 23.623 7.399 ( -2.253 1.052 8.080) 8.454 7.716 ( -0.272 12.207 1.320) 12.281 7.783 ( -8.063 2.239 0.326) 8.375 8.437 ( 8.759 -2.786 -1.725) 9.352 8.546 ( 0.873 17.627 -1.575) 17.719 8.663 ( -7.979 5.187 -0.004) 9.517 8.722 ( -10.241 22.184 6.961) 25.406 9.851 ( 5.857 10.507 -0.681) 12.049 9.966 ( -6.157 9.066 1.454) 11.055 10.220 ( 9.153 12.127 0.572) 15.204 10.406 ( -8.979 13.844 -0.393) 16.505 10.887 ( 3.219 -4.120 1.124) 5.348 10.927 ( 0.181 -0.915 0.921) 1.311 11.060 ( 5.165 23.435 -8.892) 25.591 11.136 ( -1.886 19.861 -7.068) 21.165 11.673 ( 4.309 9.976 -6.807) 12.823 11.721 ( -0.322 9.640 -7.348) 12.126 12.925 ( 5.223 -0.975 8.179) 9.753 13.081 ( -9.655 -0.441 6.708) 11.765 13.545 ( 0.359 7.881 -1.694) 8.069 13.560 ( -1.004 7.435 -0.990) 7.567 14.178 ( 6.153 -5.012 -1.040) 8.004 14.280 ( -2.789 -4.677 -4.097) 6.815 14.544 ( 3.762 -2.826 -11.534) 12.457 14.678 ( -9.688 -5.419 -8.430) 13.939 17.019 ( 3.723 -14.987 4.319) 16.036 17.101 ( -3.926 -16.254 3.907) 17.172 17.622 ( 9.110 -17.185 -5.360) 20.175 17.776 ( -6.200 -16.934 -6.170) 19.060 28.841 ( 4.832 11.269 0.154) 12.262 28.933 ( -4.061 8.849 -1.399) 9.836 29.143 ( 1.503 5.914 3.374) 6.973 29.191 ( -3.514 6.397 3.604) 8.140 30.817 ( 3.906 9.387 -2.074) 10.377 30.882 ( -2.560 6.994 -3.081) 8.060 31.620 ( 2.408 -7.253 -1.130) 7.725 31.669 ( -2.488 -6.735 -1.295) 7.295 85.834 ( 1.223 0.328 0.601) 1.402 85.850 ( -0.289 0.116 0.093) 0.325 86.432 ( 1.990 -11.962 12.575) 17.469 86.481 ( -2.782 -14.181 13.089) 19.497 ======================= Grid point 200 (73/162) ======================= q-point: ( 0.00 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.454 ( 0.000 25.394 -6.307) 26.166 4.927 ( 0.000 28.316 1.455) 28.353 5.193 ( 0.000 14.275 -0.955) 14.307 5.421 ( 0.000 10.836 -8.409) 13.716 5.710 ( 0.000 6.894 -1.267) 7.009 6.159 ( 0.000 -4.567 11.673) 12.535 6.448 ( 0.000 -14.953 -13.737) 20.305 7.280 ( 0.000 -9.641 5.119) 10.915 7.835 ( 0.000 -7.852 7.444) 10.820 8.012 ( 0.000 9.845 2.043) 10.055 8.125 ( 0.000 -6.172 -0.134) 6.173 8.670 ( 0.000 -5.583 1.398) 5.755 9.275 ( 0.000 17.780 1.481) 17.841 9.366 ( 0.000 17.582 -2.061) 17.702 9.836 ( 0.000 8.311 -6.170) 10.351 10.010 ( 0.000 -2.733 1.287) 3.021 10.369 ( 0.000 8.200 3.951) 9.102 10.679 ( 0.000 1.228 -1.805) 2.183 10.714 ( 0.000 -2.755 2.753) 3.895 10.883 ( 0.000 -1.211 3.274) 3.491 11.503 ( 0.000 24.442 -11.205) 26.888 11.530 ( 0.000 21.210 -5.478) 21.906 11.638 ( 0.000 9.135 -4.173) 10.043 11.874 ( 0.000 9.957 -9.923) 14.058 13.057 ( 0.000 15.704 3.646) 16.122 13.440 ( 0.000 5.133 3.301) 6.103 13.583 ( 0.000 5.991 9.446) 11.186 13.698 ( 0.000 6.270 0.754) 6.315 14.120 ( 0.000 -4.967 -12.393) 13.351 14.181 ( 0.000 3.525 3.939) 5.286 14.482 ( 0.000 -2.227 -9.643) 9.897 14.824 ( 0.000 -6.267 -8.693) 10.717 16.760 ( 0.000 -14.805 -2.302) 14.983 16.870 ( 0.000 -10.158 2.475) 10.455 16.968 ( 0.000 -18.598 1.803) 18.686 17.519 ( 0.000 -19.427 -5.112) 20.088 28.947 ( 0.000 9.449 0.761) 9.480 29.092 ( 0.000 3.644 -0.838) 3.739 29.229 ( 0.000 4.745 3.004) 5.616 29.404 ( 0.000 2.650 2.190) 3.438 30.954 ( 0.000 11.982 -0.295) 11.985 31.028 ( 0.000 5.207 -3.073) 6.046 31.431 ( 0.000 -5.983 -0.043) 5.983 31.611 ( 0.000 -5.739 -0.616) 5.772 85.808 ( 0.000 0.927 1.110) 1.446 85.834 ( 0.000 -0.021 0.307) 0.308 86.250 ( 0.000 -6.556 7.493) 9.956 86.298 ( 0.000 -10.056 7.136) 12.331 ======================= Grid point 201 (74/162) ======================= q-point: ( 0.20 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.518 ( 6.407 25.426 -6.145) 26.931 4.966 ( 3.745 27.672 2.941) 28.079 5.116 ( -7.584 19.062 -2.477) 20.664 5.349 ( -7.031 10.715 -2.512) 13.060 5.703 ( 2.720 5.247 -4.734) 7.572 6.230 ( -2.718 -2.380 0.644) 3.670 6.509 ( 12.746 -18.342 -3.645) 22.631 7.285 ( -0.844 -13.032 5.094) 14.018 7.814 ( -1.561 -5.069 6.562) 8.437 7.960 ( -3.953 7.399 1.924) 8.607 8.190 ( 5.295 -5.543 0.740) 7.701 8.623 ( -5.010 -7.435 1.486) 9.088 9.168 ( -6.481 20.182 -2.133) 21.304 9.324 ( -5.532 20.007 2.249) 20.879 9.868 ( 2.950 3.181 -5.260) 6.818 10.053 ( 1.422 -2.340 1.306) 3.033 10.354 ( 1.132 10.877 2.281) 11.171 10.678 ( -0.008 2.748 -2.170) 3.501 10.755 ( 2.680 -1.768 3.128) 4.483 10.882 ( -0.020 -2.643 2.949) 3.960 11.493 ( 1.751 22.601 -8.767) 24.305 11.565 ( 1.481 21.610 -7.237) 22.838 11.752 ( 9.182 11.923 -7.754) 16.929 11.908 ( 2.902 10.879 -10.109) 15.132 13.022 ( -2.716 14.450 5.235) 15.607 13.321 ( -9.520 5.168 6.404) 12.584 13.637 ( 3.051 4.375 5.654) 7.773 13.696 ( -0.039 7.586 -0.414) 7.597 14.077 ( -1.391 -1.703 -6.119) 6.502 14.227 ( 1.742 -0.916 -0.348) 1.998 14.470 ( -0.805 -2.842 -9.401) 9.854 14.744 ( -7.456 -6.028 -7.320) 12.063 16.716 ( -1.280 -13.521 0.959) 13.616 16.868 ( -1.861 -12.416 1.588) 12.654 17.086 ( 10.042 -17.177 -1.265) 19.938 17.501 ( -2.031 -19.184 -5.178) 19.974 28.972 ( 2.369 9.194 0.513) 9.508 29.090 ( -0.227 4.262 -0.901) 4.362 29.229 ( 0.094 4.405 3.133) 5.407 29.368 ( -3.399 3.063 2.601) 5.263 30.970 ( 1.419 11.128 -0.626) 11.236 31.028 ( -0.096 5.693 -2.855) 6.370 31.447 ( 1.583 -6.019 -0.158) 6.225 31.593 ( -1.773 -5.782 -0.602) 6.078 85.822 ( 1.361 1.141 0.910) 1.996 85.846 ( 1.015 0.340 0.133) 1.079 86.241 ( -0.751 -7.192 7.686) 10.553 86.282 ( -1.516 -10.046 7.264) 12.490 ======================= Grid point 202 (75/162) ======================= q-point: ( 0.40 0.38 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.692 ( 10.845 25.190 -5.549) 27.981 4.919 ( -11.595 23.362 -4.346) 26.441 5.064 ( 5.927 24.880 4.606) 25.987 5.197 ( -7.595 17.405 3.209) 19.259 5.836 ( 9.983 -0.088 -8.192) 12.915 6.057 ( -11.627 -2.875 -7.630) 14.201 6.865 ( 19.354 -19.251 4.705) 27.700 7.178 ( -11.176 -18.885 5.812) 22.701 7.812 ( 1.907 1.328 4.145) 4.752 7.878 ( -4.195 5.086 2.544) 7.067 8.315 ( 7.522 -7.369 1.211) 10.600 8.480 ( -8.808 -8.651 1.183) 12.403 9.110 ( 0.999 23.018 -0.889) 23.057 9.192 ( -6.566 22.174 1.680) 23.187 9.933 ( 3.648 -0.450 -2.295) 4.334 10.013 ( -4.160 -1.920 0.258) 4.589 10.463 ( 8.400 10.807 0.057) 13.687 10.618 ( -6.318 7.516 -0.864) 9.857 10.824 ( 3.826 -2.519 2.175) 5.071 10.875 ( -1.213 -2.995 2.494) 4.082 11.556 ( 3.377 23.509 -9.290) 25.503 11.587 ( 0.298 22.295 -8.738) 23.948 11.906 ( 5.420 12.429 -10.697) 17.271 11.952 ( 0.557 12.378 -10.949) 16.536 13.004 ( 2.195 10.535 8.060) 13.445 13.123 ( -9.367 6.307 8.350) 14.044 13.677 ( 1.428 5.046 0.791) 5.304 13.696 ( -0.313 8.017 -1.052) 8.091 14.105 ( 4.193 -2.862 -2.553) 5.683 14.204 ( -4.239 -3.279 -1.512) 5.568 14.482 ( 2.694 -3.999 -6.977) 8.481 14.583 ( -7.519 -5.133 -5.316) 10.543 16.737 ( 2.997 -12.624 1.963) 13.123 16.809 ( -3.805 -12.489 1.813) 13.181 17.285 ( 9.251 -17.577 -3.935) 20.249 17.430 ( -5.459 -18.489 -5.021) 19.921 29.030 ( 3.122 8.203 -0.275) 8.782 29.076 ( -1.428 6.102 -0.935) 6.336 29.240 ( 1.373 3.745 3.503) 5.308 29.291 ( -3.765 3.537 3.410) 6.189 31.000 ( 1.450 9.153 -1.404) 9.372 31.021 ( -0.656 7.101 -2.245) 7.477 31.490 ( 2.704 -6.015 -0.381) 6.606 31.546 ( -2.820 -5.900 -0.539) 6.561 85.852 ( 1.303 1.504 0.355) 2.022 85.862 ( 0.312 1.194 -0.051) 1.235 86.231 ( 0.051 -8.724 7.938) 11.795 86.248 ( -1.599 -9.812 7.663) 12.552 ======================= Grid point 205 (76/162) ======================= q-point: ( 0.00 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.939 ( 0.000 24.139 -10.537) 26.339 5.297 ( 0.000 8.727 -7.973) 11.820 5.393 ( 0.000 6.444 -5.854) 8.706 5.745 ( 0.000 20.959 -4.378) 21.412 5.858 ( 0.000 7.851 -4.363) 8.982 5.927 ( 0.000 -19.212 -3.652) 19.556 6.265 ( 0.000 -1.524 -0.936) 1.789 6.952 ( 0.000 -22.606 6.491) 23.519 7.769 ( 0.000 1.643 6.614) 6.815 8.002 ( 0.000 -6.558 3.476) 7.422 8.171 ( 0.000 7.088 2.620) 7.556 8.493 ( 0.000 -10.360 2.950) 10.771 9.560 ( 0.000 11.573 -2.377) 11.814 9.665 ( 0.000 11.757 -5.867) 13.139 9.926 ( 0.000 -5.262 1.666) 5.520 9.929 ( 0.000 0.961 -3.975) 4.090 10.524 ( 0.000 6.712 1.653) 6.912 10.669 ( 0.000 -1.819 -0.267) 1.839 10.699 ( 0.000 1.189 4.377) 4.536 10.826 ( 0.000 -3.709 3.729) 5.260 11.809 ( 0.000 6.974 -6.616) 9.612 11.822 ( 0.000 7.569 -12.487) 14.602 11.843 ( 0.000 12.589 -5.057) 13.567 12.043 ( 0.000 6.011 -8.542) 10.445 13.389 ( 0.000 13.470 1.464) 13.549 13.533 ( 0.000 4.004 5.453) 6.765 13.830 ( 0.000 6.297 -3.297) 7.108 13.837 ( 0.000 20.991 9.795) 23.163 14.029 ( 0.000 -3.790 -11.547) 12.154 14.244 ( 0.000 3.192 2.294) 3.931 14.425 ( 0.000 -3.652 -5.764) 6.823 14.676 ( 0.000 -10.743 -5.182) 11.927 16.511 ( 0.000 -9.123 0.065) 9.123 16.647 ( 0.000 -11.653 1.133) 11.708 16.750 ( 0.000 -2.902 -0.050) 2.902 17.141 ( 0.000 -18.507 -3.627) 18.859 29.097 ( 0.000 5.651 0.999) 5.739 29.148 ( 0.000 1.994 0.313) 2.019 29.307 ( 0.000 3.461 1.879) 3.938 29.418 ( 0.000 -1.109 1.612) 1.957 31.126 ( 0.000 4.798 -2.096) 5.236 31.163 ( 0.000 8.815 -0.551) 8.832 31.334 ( 0.000 -3.670 0.440) 3.696 31.497 ( 0.000 -6.135 0.113) 6.136 85.829 ( 0.000 1.055 1.560) 1.883 85.838 ( 0.000 0.329 0.884) 0.943 86.147 ( 0.000 -3.905 4.120) 5.677 86.152 ( 0.000 -4.935 3.124) 5.840 ======================= Grid point 206 (77/162) ======================= q-point: ( 0.20 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.001 ( 6.047 23.710 -10.470) 26.615 5.349 ( 3.768 11.522 -5.703) 13.397 5.379 ( -0.455 6.904 -6.714) 9.641 5.688 ( -5.291 21.763 -3.447) 22.660 5.781 ( -1.873 1.791 -6.249) 6.765 6.133 ( 13.539 -17.559 -4.919) 22.712 6.193 ( -5.828 0.154 1.610) 6.048 6.907 ( -4.954 -23.924 6.207) 25.207 7.790 ( 2.303 2.672 5.974) 6.937 8.014 ( 0.583 -3.584 3.244) 4.869 8.141 ( -2.172 2.931 3.214) 4.861 8.434 ( -5.737 -10.413 2.973) 12.255 9.500 ( -3.276 13.751 -3.526) 14.569 9.653 ( -3.485 13.435 -0.901) 13.909 9.855 ( -1.150 -4.056 -3.914) 5.753 9.985 ( -0.129 -4.524 0.358) 4.540 10.534 ( 2.293 7.184 0.433) 7.553 10.683 ( 2.787 -1.224 -0.588) 3.100 10.751 ( 2.361 0.549 3.620) 4.356 10.823 ( -0.310 -3.045 3.097) 4.355 11.821 ( 3.374 10.169 -9.436) 14.276 11.871 ( 3.584 11.181 -7.146) 13.745 11.938 ( 7.111 6.356 -10.190) 13.957 12.093 ( 4.163 6.390 -9.979) 12.559 13.340 ( -3.896 13.155 3.749) 14.223 13.511 ( -3.404 11.999 4.694) 13.326 13.731 ( -4.174 7.189 5.821) 10.149 13.891 ( 0.649 12.837 0.153) 12.854 14.028 ( 0.901 -3.215 -9.123) 9.715 14.228 ( -2.050 1.198 2.106) 3.174 14.398 ( -2.248 -4.524 -5.492) 7.462 14.593 ( -7.519 -10.904 -3.336) 13.659 16.511 ( 1.594 -5.807 0.889) 6.087 16.711 ( 0.140 -3.552 -0.860) 3.657 16.778 ( 6.753 -12.993 -0.246) 14.645 17.127 ( -1.655 -18.399 -3.703) 18.841 29.118 ( 2.066 5.599 0.853) 6.029 29.158 ( 0.952 2.550 0.261) 2.734 29.297 ( -0.903 2.799 1.977) 3.544 29.389 ( -2.755 -0.757 1.768) 3.360 31.135 ( 0.816 5.234 -1.877) 5.620 31.167 ( 0.344 8.778 -0.530) 8.801 31.345 ( 1.169 -4.361 0.218) 4.520 31.479 ( -1.718 -6.030 0.055) 6.270 85.849 ( 1.915 1.400 1.404) 2.756 85.858 ( 1.878 0.786 0.802) 2.188 86.126 ( -1.891 -4.444 4.130) 6.355 86.133 ( -1.849 -5.218 3.336) 6.463 ======================= Grid point 207 (78/162) ======================= q-point: ( 0.40 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.155 ( 8.846 21.660 -10.094) 25.481 5.306 ( -5.571 16.289 -7.927) 18.953 5.463 ( 5.125 12.237 -3.092) 13.623 5.568 ( -6.048 18.755 -1.678) 19.777 5.825 ( 6.604 1.217 -7.041) 9.730 6.006 ( -10.479 0.137 -4.869) 11.556 6.455 ( 16.464 -21.674 2.497) 27.333 6.742 ( -11.983 -24.656 4.943) 27.856 7.863 ( 4.977 4.374 4.558) 8.043 7.969 ( -5.089 4.991 3.257) 7.837 8.162 ( 4.780 -8.086 3.892) 10.168 8.293 ( -7.806 -9.909 3.318) 13.043 9.481 ( 1.534 15.300 -2.133) 15.524 9.553 ( -5.313 14.958 -0.291) 15.876 9.871 ( 2.258 -5.495 -2.566) 6.471 9.935 ( -3.801 -5.739 -0.289) 6.889 10.622 ( 5.706 5.820 -0.344) 8.158 10.715 ( -2.521 2.961 -0.176) 3.893 10.778 ( 2.658 -2.350 1.829) 3.992 10.818 ( -0.748 -2.768 2.220) 3.627 11.909 ( 4.435 11.910 -10.392) 16.417 11.943 ( 1.893 14.337 -9.857) 17.501 12.066 ( 5.803 3.571 -11.935) 13.743 12.141 ( -0.693 5.360 -12.385) 13.513 13.295 ( 0.718 16.064 7.268) 17.646 13.386 ( -7.539 20.499 6.939) 22.917 13.740 ( 4.962 -0.348 3.159) 5.893 13.854 ( -4.533 6.280 -2.061) 8.015 14.071 ( 3.148 0.458 -2.925) 4.321 14.153 ( -5.018 -0.928 0.543) 5.132 14.374 ( 0.820 -7.090 -3.287) 7.858 14.444 ( -6.208 -9.600 -1.563) 11.539 16.578 ( 4.540 -2.471 0.431) 5.187 16.664 ( -3.822 -1.351 -0.275) 4.063 16.941 ( 8.012 -16.975 -2.647) 18.957 17.067 ( -4.671 -17.982 -3.596) 18.924 29.165 ( 2.118 5.587 0.287) 5.982 29.178 ( 0.751 4.358 0.036) 4.422 29.284 ( 0.174 0.780 2.399) 2.528 29.323 ( -3.434 -0.231 2.228) 4.100 31.154 ( 0.998 6.446 -1.319) 6.655 31.169 ( -0.355 7.976 -0.741) 8.018 31.381 ( 2.458 -5.327 -0.071) 5.867 31.434 ( -2.729 -5.770 -0.066) 6.383 85.892 ( 1.858 2.508 0.864) 3.238 85.897 ( 1.438 2.298 0.518) 2.760 86.087 ( -1.460 -6.031 4.334) 7.569 86.092 ( -1.803 -6.280 3.929) 7.624 ======================= Grid point 210 (79/162) ======================= q-point: ( 0.00 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.322 ( 0.000 -8.807 -9.327) 12.828 5.322 ( 0.000 8.807 -9.327) 12.828 5.537 ( 0.000 -14.825 -10.851) 18.372 5.537 ( 0.000 14.825 -10.851) 18.372 5.967 ( 0.000 -1.040 -7.407) 7.479 5.967 ( 0.000 1.040 -7.407) 7.479 6.478 ( 0.000 -22.920 8.518) 24.452 6.478 ( 0.000 22.920 8.518) 24.452 7.865 ( 0.000 -6.970 5.601) 8.942 7.865 ( 0.000 6.970 5.601) 8.942 8.312 ( 0.000 -7.893 2.937) 8.421 8.312 ( 0.000 7.893 2.937) 8.421 9.738 ( 0.000 -5.944 -5.594) 8.163 9.738 ( 0.000 5.944 -5.594) 8.163 9.891 ( 0.000 -3.483 -0.305) 3.497 9.891 ( 0.000 3.484 -0.305) 3.497 10.618 ( 0.000 -3.384 0.481) 3.418 10.618 ( 0.000 3.384 0.481) 3.418 10.752 ( 0.000 -3.704 4.354) 5.717 10.752 ( 0.000 3.704 4.354) 5.717 11.874 ( 0.000 -0.719 -9.124) 9.153 11.874 ( 0.000 0.719 -9.124) 9.153 12.045 ( 0.000 -6.036 -7.442) 9.582 12.045 ( 0.000 6.036 -7.442) 9.582 13.549 ( 0.000 -3.454 6.745) 7.578 13.549 ( 0.000 3.454 6.745) 7.578 13.927 ( 0.000 -4.204 -8.861) 9.807 13.927 ( 0.000 4.204 -8.861) 9.807 14.289 ( 0.000 -8.115 -0.212) 8.118 14.289 ( 0.000 8.115 -0.212) 8.118 14.382 ( 0.000 -9.965 -0.442) 9.975 14.382 ( 0.000 9.965 -0.442) 9.975 16.469 ( 0.000 -4.859 0.923) 4.946 16.469 ( 0.000 4.859 0.923) 4.946 16.839 ( 0.000 -11.188 -2.115) 11.386 16.839 ( 0.000 11.188 -2.115) 11.386 29.161 ( 0.000 -0.979 1.114) 1.483 29.161 ( 0.000 0.979 1.114) 1.483 29.372 ( 0.000 -3.170 1.147) 3.371 29.372 ( 0.000 3.170 1.147) 3.371 31.211 ( 0.000 -3.396 -1.289) 3.632 31.211 ( 0.000 3.396 -1.289) 3.632 31.369 ( 0.000 -6.640 0.638) 6.671 31.369 ( 0.000 6.640 0.638) 6.671 85.842 ( 0.000 -0.147 1.684) 1.691 85.842 ( 0.000 0.147 1.684) 1.691 86.105 ( 0.000 -0.054 2.111) 2.112 86.105 ( 0.000 0.054 2.111) 2.112 ======================= Grid point 212 (80/162) ======================= q-point: ( 0.20 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.366 ( 4.293 -8.842 -10.153) 14.131 5.366 ( 4.293 8.842 -10.153) 14.131 5.581 ( 3.166 -14.934 -10.132) 18.322 5.581 ( 3.166 14.934 -10.132) 18.322 5.966 ( 0.905 -4.334 -5.786) 7.286 5.966 ( 0.905 4.334 -5.786) 7.286 6.419 ( -5.931 -23.477 7.625) 25.387 6.419 ( -5.931 23.477 7.625) 25.387 7.894 ( 2.911 -6.913 5.406) 9.246 7.894 ( 2.911 6.913 5.406) 9.246 8.253 ( -5.585 -7.683 3.207) 10.025 8.253 ( -5.585 7.683 3.207) 10.025 9.718 ( -1.127 -8.689 -4.572) 9.882 9.718 ( -1.127 8.689 -4.572) 9.882 9.867 ( -2.878 -7.736 -0.100) 8.254 9.867 ( -2.878 7.736 -0.100) 8.254 10.637 ( 2.503 -3.615 -0.161) 4.400 10.637 ( 2.503 3.615 -0.161) 4.400 10.773 ( 1.240 -1.869 3.577) 4.222 10.773 ( 1.240 1.869 3.577) 4.222 11.926 ( 5.077 -2.071 -9.627) 11.079 11.926 ( 5.077 2.071 -9.627) 11.079 12.099 ( 4.317 -5.752 -9.187) 11.667 12.099 ( 4.317 5.752 -9.187) 11.667 13.535 ( -0.391 -6.826 6.912) 9.722 13.535 ( -0.391 6.826 6.912) 9.722 13.920 ( -2.083 -8.064 -6.976) 10.864 13.920 ( -2.083 8.064 -6.976) 10.864 14.217 ( -5.508 -13.066 0.427) 14.185 14.217 ( -5.508 13.066 0.427) 14.185 14.342 ( -3.677 -6.513 -0.120) 7.480 14.342 ( -3.677 6.513 -0.120) 7.480 16.531 ( 5.736 -7.603 0.102) 9.525 16.531 ( 5.736 7.603 0.102) 9.525 16.824 ( -1.621 -11.293 -2.160) 11.611 16.824 ( -1.621 11.293 -2.160) 11.611 29.180 ( 1.875 -0.680 1.120) 2.288 29.180 ( 1.875 0.680 1.120) 2.288 29.350 ( -2.115 -2.734 1.144) 3.641 29.350 ( -2.115 2.734 1.144) 3.641 31.227 ( 1.611 -3.706 -1.100) 4.188 31.227 ( 1.611 3.706 -1.100) 4.188 31.355 ( -1.383 -6.323 0.455) 6.488 31.355 ( -1.383 6.323 0.455) 6.488 85.867 ( 2.496 -0.193 1.723) 3.039 85.867 ( 2.495 0.193 1.723) 3.039 86.080 ( -2.477 -0.150 2.069) 3.230 86.080 ( -2.477 0.150 2.069) 3.230 ======================= Grid point 214 (81/162) ======================= q-point: ( 0.40 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.477 ( 6.491 -8.051 -11.078) 15.155 5.477 ( 6.491 8.051 -11.078) 15.155 5.586 ( -3.461 -9.610 -10.878) 14.922 5.586 ( -3.461 9.610 -10.878) 14.922 6.057 ( 8.660 -17.504 -0.249) 19.531 6.057 ( 8.660 17.504 -0.249) 19.531 6.256 ( -10.201 -23.243 4.743) 25.822 6.256 ( -10.201 23.243 4.743) 25.822 7.981 ( 5.944 -6.857 4.818) 10.274 7.981 ( 5.944 6.857 4.818) 10.274 8.117 ( -7.584 -7.150 3.953) 11.148 8.117 ( -7.584 7.150 3.953) 11.148 9.723 ( 1.875 -9.788 -2.630) 10.307 9.723 ( 1.875 9.788 -2.630) 10.307 9.788 ( -4.393 -9.481 -0.816) 10.481 9.788 ( -4.393 9.481 -0.816) 10.481 10.710 ( 4.149 -3.456 0.165) 5.402 10.710 ( 4.149 3.456 0.165) 5.402 10.771 ( -1.705 -1.982 1.803) 3.176 10.771 ( -1.705 1.982 1.803) 3.176 12.052 ( 6.865 -3.357 -11.117) 13.490 12.052 ( 6.865 3.357 -11.117) 13.490 12.144 ( -1.233 -4.722 -11.701) 12.678 12.144 ( -1.233 4.722 -11.701) 12.678 13.588 ( 6.773 -11.626 6.042) 14.750 13.588 ( 6.773 11.626 6.042) 14.750 13.782 ( -11.083 -13.297 0.678) 17.323 13.782 ( -11.083 13.297 0.678) 17.323 14.179 ( 2.121 -6.180 -0.882) 6.593 14.179 ( 2.121 6.180 -0.882) 6.593 14.255 ( -4.762 -4.243 -0.628) 6.409 14.255 ( -4.762 4.243 -0.628) 6.409 16.660 ( 6.606 -10.327 -1.262) 12.324 16.660 ( 6.606 10.327 -1.262) 12.324 16.769 ( -4.233 -11.273 -2.026) 12.211 16.769 ( -4.233 11.273 -2.026) 12.211 29.230 ( 3.144 -0.539 1.131) 3.384 29.230 ( 3.144 0.539 1.131) 3.384 29.296 ( -3.291 -1.661 1.138) 3.858 29.296 ( -3.291 1.661 1.138) 3.858 31.269 ( 2.483 -4.510 -0.614) 5.185 31.269 ( 2.483 4.510 -0.614) 5.185 31.318 ( -2.344 -5.505 -0.023) 5.983 31.318 ( -2.344 5.505 -0.023) 5.983 85.933 ( 4.028 -0.248 1.827) 4.430 85.933 ( 4.028 0.248 1.827) 4.430 86.014 ( -4.017 -0.236 1.959) 4.475 86.014 ( -4.017 0.236 1.959) 4.475 ======================= Grid point 255 (82/162) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 0.000 0.000 31.694) 31.694 2.340 ( 0.000 0.000 34.496) 34.496 3.810 ( 0.000 0.000 44.363) 44.363 3.921 ( 0.000 0.000 -6.503) 6.503 4.043 ( 0.000 0.000 20.987) 20.987 4.100 ( 0.000 0.000 11.882) 11.882 5.112 ( 0.000 0.000 -6.250) 6.250 5.129 ( 0.000 0.000 1.627) 1.627 6.585 ( 0.000 0.000 -8.593) 8.593 6.975 ( 0.000 0.000 -7.618) 7.618 7.587 ( 0.000 0.000 16.506) 16.506 7.939 ( 0.000 0.000 -7.067) 7.067 8.361 ( 0.000 0.000 -0.094) 0.094 8.438 ( 0.000 0.000 -1.416) 1.416 9.114 ( 0.000 0.000 0.128) 0.128 9.143 ( 0.000 0.000 -0.262) 0.262 9.503 ( 0.000 0.000 -4.217) 4.217 9.797 ( 0.000 0.000 19.623) 19.623 9.858 ( 0.000 0.000 -5.971) 5.971 10.595 ( 0.000 0.000 -3.880) 3.880 11.217 ( 0.000 0.000 -0.485) 0.485 11.519 ( 0.000 0.000 -3.231) 3.231 11.732 ( 0.000 0.000 -2.201) 2.201 12.083 ( 0.000 0.000 0.095) 0.095 12.099 ( 0.000 0.000 -0.274) 0.274 12.189 ( 0.000 0.000 -0.186) 0.186 12.191 ( 0.000 0.000 -0.285) 0.285 12.634 ( 0.000 0.000 -21.585) 21.585 14.391 ( 0.000 0.000 -8.068) 8.068 14.593 ( 0.000 0.000 -7.212) 7.212 14.727 ( 0.000 0.000 18.352) 18.352 16.378 ( 0.000 0.000 0.070) 0.070 17.438 ( 0.000 0.000 27.062) 27.062 18.184 ( 0.000 0.000 -2.542) 2.542 19.053 ( 0.000 0.000 -5.417) 5.417 19.537 ( 0.000 0.000 -7.976) 7.976 27.669 ( 0.000 0.000 8.571) 8.571 27.745 ( 0.000 0.000 7.750) 7.750 28.566 ( 0.000 0.000 -6.177) 6.177 28.616 ( 0.000 0.000 -7.343) 7.343 29.943 ( 0.000 0.000 7.307) 7.307 30.669 ( 0.000 0.000 -5.369) 5.369 32.121 ( 0.000 0.000 -5.419) 5.419 32.152 ( 0.000 0.000 -2.820) 2.820 85.985 ( 0.000 0.000 6.556) 6.556 86.277 ( 0.000 0.000 7.314) 7.314 87.820 ( 0.000 0.000 29.725) 29.725 90.398 ( 0.000 0.000 -18.009) 18.009 ======================= Grid point 256 (83/162) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 13.626 0.000 28.301) 31.410 2.393 ( 6.910 0.000 27.305) 28.166 3.551 ( -23.712 0.000 5.661) 24.378 3.672 ( -23.626 0.000 12.011) 26.504 4.147 ( 22.554 0.000 47.198) 52.311 4.407 ( 17.397 0.000 0.963) 17.424 5.067 ( -4.585 0.000 -5.889) 7.463 5.275 ( 8.459 0.000 5.919) 10.325 6.419 ( -10.206 0.000 -0.100) 10.207 6.941 ( -7.858 0.000 -0.685) 7.888 7.634 ( 7.226 0.000 4.146) 8.331 8.035 ( 5.897 0.000 -6.336) 8.655 8.368 ( 0.678 0.000 -0.209) 0.709 8.430 ( -0.778 0.000 -1.275) 1.494 9.118 ( 0.321 0.000 0.076) 0.330 9.141 ( -0.216 0.000 -0.237) 0.321 9.458 ( -3.641 0.000 1.437) 3.915 9.586 ( -9.776 0.000 4.951) 10.959 10.104 ( 13.407 0.000 -0.727) 13.426 10.578 ( -2.054 0.000 -3.900) 4.408 11.204 ( -0.781 0.000 -0.290) 0.833 11.404 ( -7.556 0.000 -0.023) 7.556 11.908 ( 13.557 0.000 -6.766) 15.152 12.087 ( 0.304 0.000 0.071) 0.312 12.100 ( 0.026 0.000 -0.233) 0.235 12.187 ( -0.157 0.000 -0.203) 0.256 12.189 ( -0.169 0.000 -0.286) 0.332 12.607 ( -3.486 0.000 -21.061) 21.348 14.412 ( 1.563 0.000 -6.397) 6.585 14.559 ( -2.766 0.000 1.632) 3.212 14.843 ( 11.505 0.000 5.627) 12.808 16.075 ( -24.278 0.000 0.767) 24.290 17.747 ( 24.869 0.000 26.984) 36.696 18.263 ( 7.594 0.000 -0.790) 7.635 18.988 ( -6.222 0.000 -6.446) 8.959 19.393 ( -13.871 0.000 -4.440) 14.565 27.676 ( 0.681 0.000 8.498) 8.525 27.737 ( -0.745 0.000 7.834) 7.870 28.571 ( 0.510 0.000 -6.294) 6.315 28.612 ( -0.445 0.000 -7.237) 7.251 30.057 ( 10.505 0.000 2.736) 10.855 30.629 ( -4.196 0.000 -5.829) 7.182 32.120 ( 0.025 0.000 -4.702) 4.703 32.151 ( -0.232 0.000 -3.231) 3.239 85.994 ( 1.044 0.000 7.020) 7.097 86.218 ( -5.128 0.000 8.007) 9.508 88.021 ( 19.654 0.000 27.377) 33.702 90.045 ( -32.819 0.000 -6.623) 33.481 ======================= Grid point 257 (84/162) ======================= q-point: ( 0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( 21.887 0.000 20.854) 30.231 2.654 ( 19.832 0.000 15.275) 25.033 3.072 ( -24.691 0.000 12.989) 27.899 3.135 ( -27.929 0.000 9.479) 29.494 4.704 ( 30.399 0.000 37.513) 48.284 4.711 ( 13.522 0.000 -2.675) 13.784 4.933 ( -9.125 0.000 -4.757) 10.290 5.209 ( -17.398 0.000 19.571) 26.186 6.401 ( 9.732 0.000 6.531) 11.720 6.685 ( -16.045 0.000 6.051) 17.148 7.842 ( 12.259 0.000 -5.134) 13.290 8.043 ( -6.153 0.000 -7.166) 9.445 8.386 ( 1.141 0.000 -0.519) 1.253 8.410 ( -1.202 0.000 -0.924) 1.516 9.126 ( 0.461 0.000 -0.044) 0.463 9.134 ( -0.396 0.000 -0.161) 0.428 9.406 ( 0.391 0.000 1.257) 1.317 9.465 ( -4.206 0.000 2.734) 5.017 10.330 ( 9.911 0.000 -4.579) 10.917 10.497 ( -6.605 0.000 -3.727) 7.584 11.209 ( 1.746 0.000 0.873) 1.952 11.277 ( -5.097 0.000 2.357) 5.616 12.094 ( 0.361 0.000 -0.005) 0.361 12.099 ( -0.146 0.000 -0.125) 0.192 12.184 ( -0.059 0.000 -0.244) 0.250 12.185 ( -0.154 0.000 -0.278) 0.318 12.199 ( 15.389 0.000 -13.364) 20.382 12.468 ( -10.966 0.000 -18.488) 21.496 14.446 ( 2.140 0.000 -2.844) 3.559 14.499 ( -3.121 0.000 1.268) 3.368 15.155 ( 19.575 0.000 -0.556) 19.583 15.586 ( -24.139 0.000 -0.478) 24.144 18.232 ( 21.412 0.000 26.666) 34.199 18.420 ( 4.345 0.000 11.377) 12.178 18.863 ( -2.597 0.000 -10.956) 11.260 19.054 ( -18.281 0.000 -4.124) 18.740 27.694 ( 1.130 0.000 8.302) 8.379 27.718 ( -1.170 0.000 8.049) 8.134 28.584 ( 0.789 0.000 -6.595) 6.642 28.600 ( -0.749 0.000 -6.955) 6.995 30.294 ( 12.246 0.000 -3.823) 12.829 30.503 ( -8.708 0.000 -6.191) 10.684 32.126 ( 0.625 0.000 -3.886) 3.936 32.141 ( -0.750 0.000 -3.550) 3.628 86.032 ( 2.958 0.000 7.890) 8.426 86.112 ( -5.092 0.000 8.391) 9.815 88.548 ( 33.276 0.000 21.790) 39.776 89.286 ( -40.764 0.000 11.199) 42.275 ======================= Grid point 260 (85/162) ======================= q-point: ( 0.00 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 0.000 12.044 31.791) 33.996 2.533 ( 0.000 34.669 29.290) 45.386 3.876 ( 0.000 12.132 29.738) 32.117 4.088 ( 0.000 5.176 23.028) 23.603 4.181 ( 0.000 23.621 -5.360) 24.222 4.414 ( 0.000 26.892 18.754) 32.785 5.157 ( 0.000 7.930 -0.130) 7.931 5.425 ( 0.000 26.648 -5.800) 27.272 6.623 ( 0.000 4.559 -9.259) 10.320 6.989 ( 0.000 1.793 -6.986) 7.213 7.541 ( 0.000 -4.028 14.635) 15.179 7.922 ( 0.000 -1.565 -6.954) 7.128 8.521 ( 0.000 7.530 1.512) 7.680 8.560 ( 0.000 16.982 -0.899) 17.006 9.135 ( 0.000 1.838 2.319) 2.959 9.196 ( 0.000 5.289 -2.071) 5.680 9.581 ( 0.000 8.011 -7.674) 11.094 9.785 ( 0.000 -0.708 18.669) 18.683 9.909 ( 0.000 5.206 -4.293) 6.747 10.556 ( 0.000 -3.940 -3.848) 5.508 11.190 ( 0.000 -2.323 -1.858) 2.975 11.390 ( 0.000 -10.883 -3.620) 11.469 11.673 ( 0.000 -4.671 -0.247) 4.677 11.983 ( 0.000 -8.261 0.818) 8.301 12.188 ( 0.000 8.785 -0.691) 8.812 12.335 ( 0.000 14.048 -4.418) 14.726 12.348 ( 0.000 14.214 -1.520) 14.295 12.850 ( 0.000 17.430 -19.023) 25.801 14.366 ( 0.000 -2.486 -7.998) 8.375 14.559 ( 0.000 -3.369 -6.513) 7.333 14.663 ( 0.000 -6.376 16.379) 17.576 16.252 ( 0.000 -12.566 -0.913) 12.600 17.428 ( 0.000 -1.039 25.233) 25.254 18.126 ( 0.000 -5.876 -2.555) 6.407 18.956 ( 0.000 -9.671 -4.924) 10.853 19.353 ( 0.000 -17.386 -5.239) 18.159 27.750 ( 0.000 7.986 8.256) 11.487 27.904 ( 0.000 14.844 4.206) 15.428 28.605 ( 0.000 3.921 -5.488) 6.745 28.657 ( 0.000 4.143 -6.905) 8.053 29.976 ( 0.000 3.367 6.750) 7.543 30.666 ( 0.000 -0.248 -5.275) 5.281 32.086 ( 0.000 -3.563 -5.099) 6.221 32.124 ( 0.000 -2.887 -2.842) 4.051 85.977 ( 0.000 -0.831 6.247) 6.302 86.231 ( 0.000 -4.486 7.368) 8.626 87.736 ( 0.000 -8.321 28.576) 29.763 89.937 ( 0.000 -42.615 -4.648) 42.868 ======================= Grid point 261 (86/162) ======================= q-point: ( 0.20 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 4.440 10.908 25.921) 28.470 2.657 ( 12.141 33.050 26.527) 44.084 3.647 ( -23.466 8.587 7.947) 26.221 3.915 ( -20.846 23.473 10.025) 32.955 4.254 ( 22.200 14.276 39.810) 47.764 4.662 ( 16.288 22.635 4.189) 28.199 5.255 ( 3.006 12.780 -1.154) 13.179 5.417 ( -0.006 20.270 -0.660) 20.281 6.453 ( -10.147 4.375 -0.278) 11.053 6.962 ( -7.465 2.771 -0.372) 7.971 7.607 ( 8.100 -2.476 3.148) 9.037 7.989 ( 4.055 -3.700 -6.577) 8.567 8.518 ( -0.413 8.098 0.882) 8.156 8.548 ( -1.134 14.722 -0.213) 14.768 9.148 ( 1.368 2.474 2.533) 3.796 9.201 ( 0.732 6.242 -2.217) 6.665 9.511 ( -5.973 5.202 1.654) 8.092 9.611 ( -8.324 3.241 4.318) 9.921 10.134 ( 13.158 3.230 -2.213) 13.729 10.554 ( -0.773 -2.483 -3.944) 4.724 11.171 ( -1.301 -2.949 -1.746) 3.666 11.334 ( -4.893 -6.528 -0.288) 8.163 11.730 ( 5.252 -10.912 -2.407) 12.347 11.979 ( -0.631 -8.838 0.217) 8.863 12.197 ( 0.982 9.029 -0.751) 9.113 12.298 ( -1.924 11.823 -1.989) 12.143 12.421 ( 5.435 17.406 -5.081) 18.930 12.826 ( -2.886 17.471 -18.480) 25.594 14.386 ( 1.531 -2.539 -6.420) 7.071 14.522 ( -2.752 -3.746 1.877) 5.013 14.780 ( 11.234 -6.275 4.342) 13.580 15.973 ( -22.925 -10.245 -0.301) 25.112 17.707 ( 22.952 -3.906 25.206) 34.313 18.202 ( 7.318 -6.154 -0.822) 9.597 18.892 ( -6.194 -9.619 -5.761) 12.809 19.230 ( -11.921 -15.479 -3.050) 19.774 27.761 ( 1.085 8.352 8.121) 11.699 27.882 ( -2.038 13.652 5.212) 14.755 28.610 ( 0.503 3.913 -5.619) 6.865 28.652 ( -0.502 4.059 -6.744) 7.887 30.083 ( 9.842 2.642 2.616) 10.521 30.627 ( -4.071 -0.123 -5.643) 6.959 32.086 ( 0.150 -3.406 -4.573) 5.704 32.121 ( -0.332 -3.018 -3.091) 4.333 85.985 ( 0.916 -0.946 6.692) 6.820 86.181 ( -4.390 -3.646 7.837) 9.695 87.915 ( 17.521 -10.420 26.662) 33.562 89.653 ( -26.678 -36.598 2.623) 45.366 ======================= Grid point 262 (87/162) ======================= q-point: ( 0.40 0.06 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 16.000 7.651 15.592) 23.615 2.941 ( 9.068 20.779 17.738) 28.785 3.192 ( -13.757 17.761 12.242) 25.584 3.467 ( -23.174 29.648 14.395) 40.289 4.793 ( 29.215 11.375 31.113) 44.169 4.956 ( 13.287 21.961 -1.222) 25.697 5.178 ( -8.492 21.748 -3.606) 23.624 5.287 ( -17.400 10.006 15.655) 25.455 6.436 ( 9.517 4.689 6.743) 12.571 6.713 ( -15.691 3.789 6.324) 17.337 7.813 ( 11.167 -2.459 -5.373) 12.634 7.987 ( -5.153 -4.293 -6.846) 9.584 8.509 ( -0.155 8.750 0.211) 8.754 8.521 ( -1.308 10.558 0.197) 10.640 9.184 ( 2.094 5.129 1.812) 5.829 9.215 ( -0.315 8.216 -1.162) 8.304 9.428 ( 0.135 2.256 2.704) 3.525 9.497 ( -4.878 3.891 1.285) 6.370 10.351 ( 9.203 2.199 -5.486) 10.937 10.499 ( -5.363 0.222 -4.132) 6.774 11.168 ( 1.538 -3.815 -0.084) 4.114 11.233 ( -4.744 -4.009 2.122) 6.564 11.850 ( 6.182 -14.404 -3.096) 15.977 11.945 ( -3.186 -11.532 -1.279) 12.032 12.224 ( 1.679 9.469 -0.951) 9.663 12.260 ( -1.945 10.258 -1.285) 10.519 12.556 ( 8.243 19.347 -9.905) 23.245 12.721 ( -7.669 18.351 -15.483) 25.205 14.418 ( 1.952 -2.737 -3.104) 4.576 14.466 ( -2.802 -3.281 0.837) 4.394 15.083 ( 19.050 -7.205 -0.922) 20.388 15.503 ( -23.482 -8.354 -1.091) 24.947 18.161 ( 20.385 -7.021 24.754) 32.827 18.350 ( 3.630 -7.022 11.160) 13.676 18.766 ( -2.801 -9.593 -10.133) 14.232 18.934 ( -16.124 -11.518 -4.417) 20.301 27.791 ( 1.976 9.470 7.671) 12.346 27.835 ( -2.472 11.361 6.737) 13.438 28.623 ( 0.791 3.905 -5.961) 7.170 28.639 ( -0.782 3.945 -6.382) 7.544 30.305 ( 11.613 1.294 -3.435) 12.179 30.505 ( -8.371 0.332 -5.810) 10.195 32.094 ( 0.669 -3.230 -3.813) 5.041 32.110 ( -0.780 -3.153 -3.399) 4.701 86.018 ( 2.623 -1.370 7.519) 8.081 86.089 ( -4.465 -2.280 8.029) 9.465 88.383 ( 29.295 -16.057 22.237) 40.132 89.022 ( -34.638 -25.206 14.563) 45.246 ======================= Grid point 265 (88/162) ======================= q-point: ( 0.00 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.794 ( 0.000 21.627 25.552) 33.476 3.112 ( 0.000 21.239 31.582) 38.060 4.159 ( 0.000 9.422 10.804) 14.335 4.519 ( 0.000 44.582 21.675) 49.571 4.631 ( 0.000 17.192 -2.746) 17.410 5.007 ( 0.000 31.583 21.445) 38.176 5.505 ( 0.000 29.147 0.679) 29.155 6.064 ( 0.000 34.567 -10.186) 36.036 6.805 ( 0.000 15.148 -9.369) 17.812 7.080 ( 0.000 8.552 -4.073) 9.473 7.472 ( 0.000 -0.947 9.510) 9.557 7.887 ( 0.000 -1.736 -6.890) 7.105 8.681 ( 0.000 7.859 6.055) 9.921 8.876 ( 0.000 13.153 4.019) 13.753 9.172 ( 0.000 1.494 2.853) 3.220 9.342 ( 0.000 9.469 -4.657) 10.553 9.784 ( 0.000 6.966 6.546) 9.559 9.816 ( 0.000 9.625 -1.851) 9.801 10.051 ( 0.000 8.647 0.265) 8.651 10.449 ( 0.000 -6.370 -4.864) 8.014 11.150 ( 0.000 -1.135 -4.712) 4.846 11.161 ( 0.000 -11.646 -5.192) 12.751 11.577 ( 0.000 -5.052 1.805) 5.365 11.828 ( 0.000 -7.404 2.881) 7.945 12.426 ( 0.000 15.011 -1.439) 15.079 12.640 ( 0.000 15.484 -7.737) 17.309 12.685 ( 0.000 19.260 -2.485) 19.420 13.195 ( 0.000 16.224 -15.205) 22.235 14.305 ( 0.000 -3.311 -8.192) 8.836 14.467 ( 0.000 -5.786 -4.418) 7.280 14.493 ( 0.000 -10.400 10.752) 14.959 15.915 ( 0.000 -21.088 -3.588) 21.391 17.398 ( 0.000 -2.072 20.302) 20.408 17.959 ( 0.000 -11.074 -2.492) 11.350 18.689 ( 0.000 -17.226 -3.746) 17.628 18.939 ( 0.000 -23.085 -2.396) 23.209 27.963 ( 0.000 13.209 7.310) 15.097 28.246 ( 0.000 18.410 -0.507) 18.417 28.713 ( 0.000 6.926 -3.503) 7.761 28.775 ( 0.000 7.803 -5.522) 9.559 30.075 ( 0.000 6.803 5.222) 8.577 30.666 ( 0.000 0.425 -5.067) 5.084 31.987 ( 0.000 -6.330 -4.252) 7.625 32.044 ( 0.000 -5.134 -2.905) 5.899 85.954 ( 0.000 -1.455 5.404) 5.596 86.118 ( 0.000 -6.599 7.125) 9.712 87.512 ( 0.000 -14.026 25.365) 28.985 88.968 ( 0.000 -51.649 13.039) 53.269 ======================= Grid point 266 (89/162) ======================= q-point: ( 0.20 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 1.611 19.340 21.245) 28.775 3.245 ( 10.220 23.070 27.500) 37.322 3.879 ( -20.191 13.359 10.286) 26.305 4.443 ( -12.114 28.389 12.462) 33.287 4.815 ( 16.356 41.168 22.734) 49.791 5.107 ( 12.661 19.503 6.804) 24.227 5.594 ( 4.162 25.560 -0.309) 25.898 6.007 ( -6.494 33.925 -7.833) 35.418 6.643 ( -7.806 16.307 1.029) 18.108 7.106 ( -4.797 14.381 -0.301) 15.163 7.552 ( 9.394 -2.496 0.545) 9.735 7.922 ( 2.149 -2.703 -6.628) 7.474 8.656 ( -1.929 5.339 4.335) 7.143 8.837 ( -4.374 12.449 1.810) 13.319 9.193 ( 2.924 1.867 6.239) 7.138 9.376 ( 3.555 11.101 -4.724) 12.578 9.627 ( -10.217 6.384 10.455) 15.952 9.755 ( -4.987 11.335 -3.749) 12.939 10.232 ( 11.541 6.353 -3.850) 13.725 10.487 ( 2.837 -3.804 -4.786) 6.740 11.100 ( -2.613 -4.934 -5.072) 7.543 11.192 ( 0.317 -5.954 -1.519) 6.153 11.550 ( -0.802 -7.654 0.512) 7.713 11.816 ( -1.773 -7.578 1.735) 7.974 12.439 ( 1.327 15.114 -1.375) 15.234 12.592 ( -3.085 16.817 -3.847) 17.525 12.766 ( 6.140 16.991 -6.546) 19.215 13.169 ( -3.019 15.982 -14.922) 22.072 14.323 ( 1.335 -3.537 -6.780) 7.763 14.421 ( -2.253 -6.329 2.011) 7.012 14.614 ( 10.190 -10.106 1.168) 14.399 15.691 ( -19.421 -18.040 -2.977) 26.674 17.608 ( 18.076 -5.904 20.306) 27.820 18.028 ( 6.610 -11.500 -0.864) 13.293 18.627 ( -5.951 -17.004 -4.176) 18.493 18.857 ( -8.118 -21.076 -2.243) 22.696 27.982 ( 1.924 13.631 7.059) 15.470 28.205 ( -3.783 17.908 1.285) 18.348 28.718 ( 0.485 6.911 -3.663) 7.837 28.766 ( -0.779 7.501 -5.189) 9.154 30.163 ( 8.158 5.675 2.096) 10.157 30.630 ( -3.641 0.721 -5.232) 6.415 31.991 ( 0.428 -6.154 -3.991) 7.348 32.038 ( -0.559 -5.279 -2.960) 6.078 85.959 ( 0.603 -1.624 5.799) 6.052 86.088 ( -2.669 -5.481 7.160) 9.404 87.641 ( 12.577 -16.889 24.320) 32.169 88.802 ( -15.903 -46.304 15.136) 51.245 ======================= Grid point 267 (90/162) ======================= q-point: ( 0.40 0.12 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( 12.602 16.153 13.289) 24.420 3.234 ( -15.667 14.119 10.041) 23.359 3.747 ( 12.283 28.571 24.014) 39.292 4.099 ( -20.017 30.284 19.661) 41.284 5.218 ( 21.584 33.330 20.401) 44.642 5.410 ( 16.508 19.036 -0.726) 25.207 5.544 ( -9.259 22.792 1.344) 24.637 5.769 ( -17.393 30.528 -1.349) 35.161 6.663 ( 9.318 20.665 7.108) 23.757 6.906 ( -13.251 18.653 6.162) 23.696 7.763 ( 10.198 -2.346 -6.108) 12.117 7.911 ( -4.183 -3.104 -6.583) 8.395 8.645 ( 1.654 4.461 1.647) 5.035 8.724 ( -5.919 8.036 0.667) 10.002 9.289 ( 6.312 5.018 8.397) 11.642 9.421 ( -5.689 10.630 3.642) 12.595 9.510 ( 4.756 7.633 1.513) 9.120 9.643 ( -6.587 10.908 -2.881) 13.064 10.414 ( 7.082 3.860 -6.987) 10.671 10.508 ( -1.901 0.845 -5.241) 5.639 11.081 ( 1.334 -4.683 -2.088) 5.298 11.146 ( -4.251 -4.190 1.021) 6.055 11.611 ( 6.482 -10.073 -1.384) 12.058 11.743 ( -5.759 -8.787 -0.190) 10.507 12.476 ( 2.387 15.528 -1.451) 15.777 12.530 ( -3.094 16.306 -2.097) 16.729 12.908 ( 8.154 15.848 -9.657) 20.271 13.066 ( -7.291 15.606 -12.944) 21.546 14.349 ( 1.427 -3.978 -4.105) 5.892 14.381 ( -1.829 -4.990 -0.769) 5.370 14.888 ( 17.407 -12.151 -1.784) 21.304 15.274 ( -21.426 -14.578 -2.651) 26.050 17.977 ( 17.059 -11.328 19.535) 28.301 18.154 ( 2.049 -12.749 10.158) 16.429 18.511 ( -2.097 -15.848 -8.596) 18.151 18.647 ( -12.005 -16.885 -5.335) 21.393 28.036 ( 3.609 14.824 6.166) 16.456 28.119 ( -4.628 16.483 4.247) 17.639 28.731 ( 0.821 6.921 -4.087) 8.080 28.749 ( -0.950 7.090 -4.631) 8.522 30.350 ( 9.890 3.470 -2.725) 10.830 30.523 ( -7.343 1.695 -5.003) 9.046 32.004 ( 0.874 -5.833 -3.489) 6.852 32.023 ( -0.953 -5.551 -3.129) 6.443 85.982 ( 1.805 -2.238 6.501) 7.109 86.030 ( -2.946 -3.556 6.980) 8.369 87.974 ( 20.576 -24.317 22.056) 38.745 88.408 ( -22.617 -34.977 18.985) 45.775 ======================= Grid point 270 (91/162) ======================= q-point: ( 0.00 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 0.000 27.665 18.832) 33.466 3.441 ( 0.000 14.889 27.497) 31.270 4.361 ( 0.000 11.884 9.739) 15.365 4.848 ( 0.000 7.422 -2.469) 7.822 5.283 ( 0.000 21.925 8.300) 23.444 5.782 ( 0.000 53.378 18.791) 56.589 6.100 ( 0.000 23.067 3.239) 23.293 6.649 ( 0.000 25.262 -10.841) 27.490 7.208 ( 0.000 23.902 -3.410) 24.144 7.241 ( 0.000 6.991 2.371) 7.382 7.706 ( 0.000 26.259 -4.553) 26.651 7.868 ( 0.000 0.119 -7.067) 7.068 8.837 ( 0.000 9.859 9.702) 13.832 9.077 ( 0.000 8.111 9.742) 12.677 9.176 ( 0.000 -0.379 1.077) 1.142 9.540 ( 0.000 9.764 -5.082) 11.007 9.911 ( 0.000 8.918 9.802) 13.252 10.079 ( 0.000 13.743 -7.632) 15.720 10.175 ( 0.000 1.025 5.319) 5.417 10.383 ( 0.000 3.209 -7.826) 8.459 10.961 ( 0.000 -8.416 -6.368) 10.554 11.159 ( 0.000 2.163 -7.071) 7.394 11.471 ( 0.000 -5.857 2.183) 6.251 11.689 ( 0.000 -6.954 3.251) 7.677 12.746 ( 0.000 17.030 -2.103) 17.160 12.894 ( 0.000 9.753 -4.388) 10.695 13.067 ( 0.000 19.075 -2.430) 19.229 13.441 ( 0.000 8.519 -8.904) 12.323 14.248 ( 0.000 -3.296 -9.466) 10.024 14.291 ( 0.000 -8.308 2.779) 8.761 14.344 ( 0.000 -6.431 -1.102) 6.524 15.472 ( 0.000 -23.058 -7.145) 24.140 17.344 ( 0.000 -3.553 13.749) 14.201 17.701 ( 0.000 -15.051 -2.213) 15.212 18.304 ( 0.000 -21.704 -2.322) 21.828 18.500 ( 0.000 -21.246 -3.072) 21.467 28.241 ( 0.000 14.780 5.746) 15.858 28.574 ( 0.000 14.546 -2.315) 14.729 28.866 ( 0.000 8.511 -0.632) 8.535 28.957 ( 0.000 10.570 -3.051) 11.002 30.240 ( 0.000 9.976 3.181) 10.471 30.690 ( 0.000 2.183 -4.841) 5.311 31.847 ( 0.000 -7.781 -3.112) 8.380 31.930 ( 0.000 -6.307 -2.934) 6.956 85.922 ( 0.000 -1.728 4.233) 4.573 85.991 ( 0.000 -5.996 6.066) 8.529 87.212 ( 0.000 -16.171 20.767) 26.320 88.035 ( 0.000 -42.701 17.995) 46.338 ======================= Grid point 271 (92/162) ======================= q-point: ( 0.20 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( -1.045 24.134 16.357) 29.173 3.619 ( 10.362 17.897 22.186) 30.329 4.141 ( -13.790 14.041 12.240) 23.176 4.859 ( -7.955 13.517 8.823) 17.996 5.342 ( 10.146 10.769 3.927) 15.308 5.847 ( 7.974 55.134 16.516) 58.105 6.078 ( -4.334 17.176 -3.036) 17.973 6.659 ( -2.564 34.780 -9.514) 36.148 7.049 ( -1.547 19.978 9.507) 22.178 7.482 ( 10.986 13.251 -4.677) 17.837 7.643 ( -3.952 20.929 -3.682) 21.615 7.907 ( 2.199 3.291 -6.628) 7.720 8.740 ( -6.524 5.053 7.259) 10.990 8.997 ( -8.705 2.963 2.391) 9.501 9.244 ( 6.748 5.561 8.021) 11.866 9.596 ( 4.995 10.472 -1.800) 11.741 9.785 ( -9.259 9.884 8.979) 16.250 9.997 ( -5.105 12.257 -2.072) 13.438 10.322 ( 8.814 1.223 -4.837) 10.128 10.473 ( 6.900 4.718 -5.914) 10.240 10.969 ( 0.633 -6.835 -5.789) 8.979 11.158 ( -0.580 1.377 -4.119) 4.382 11.418 ( -3.002 -6.148 1.055) 6.923 11.682 ( -1.542 -6.126 1.859) 6.585 12.759 ( 1.292 16.806 -1.931) 16.965 12.890 ( -0.725 11.900 -3.603) 12.455 13.077 ( 1.644 15.413 -3.272) 15.842 13.409 ( -3.644 8.102 -8.743) 12.464 14.261 ( 0.971 -3.105 -8.065) 8.696 14.289 ( -0.084 -6.210 -0.185) 6.213 14.417 ( 7.620 -9.023 -0.822) 11.839 15.305 ( -15.092 -20.303 -6.234) 26.054 17.481 ( 12.112 -7.164 13.787) 19.700 17.763 ( 5.922 -15.250 -0.815) 16.380 18.252 ( -4.859 -20.897 -2.887) 21.648 18.450 ( -5.185 -20.112 -3.633) 21.084 28.267 ( 2.571 14.998 5.406) 16.149 28.535 ( -3.812 15.125 -0.893) 15.624 28.871 ( 0.472 8.502 -0.799) 8.553 28.939 ( -1.530 9.969 -2.485) 10.387 30.305 ( 6.046 8.773 1.121) 10.713 30.662 ( -2.863 2.647 -4.815) 6.196 31.854 ( 0.731 -7.621 -3.036) 8.237 31.922 ( -0.823 -6.456 -2.896) 7.124 85.924 ( 0.260 -1.895 4.599) 4.981 85.982 ( -0.900 -5.083 5.778) 7.748 87.287 ( 7.433 -18.609 20.382) 28.582 87.950 ( -8.324 -39.714 18.257) 44.495 ======================= Grid point 272 (93/162) ======================= q-point: ( 0.40 0.19 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.299 ( 9.466 21.998 10.266) 26.056 3.556 ( -14.481 18.848 6.859) 24.739 4.179 ( 16.302 17.224 26.260) 35.384 4.554 ( -19.609 16.822 21.044) 33.322 5.620 ( 15.303 6.589 -1.108) 16.698 5.890 ( -11.274 11.785 -1.993) 16.430 6.119 ( 15.949 48.751 7.064) 51.778 6.454 ( -16.076 41.803 -0.248) 44.788 7.196 ( 12.612 27.325 7.955) 31.129 7.435 ( -10.463 28.882 2.234) 30.800 7.756 ( 9.670 4.542 -6.709) 12.616 7.896 ( -4.011 4.364 -6.073) 8.486 8.683 ( 1.920 0.191 2.755) 3.364 8.805 ( -9.383 0.111 0.613) 9.404 9.398 ( 8.698 7.422 11.146) 15.968 9.577 ( -9.049 7.648 12.945) 17.549 9.744 ( 6.907 13.398 -4.459) 15.719 9.884 ( -6.625 12.734 -2.765) 14.618 10.473 ( 6.474 1.955 -7.891) 10.392 10.551 ( -0.374 3.880 -6.734) 7.781 10.998 ( 3.180 -3.419 -2.961) 5.529 11.094 ( -5.565 -1.078 -0.167) 5.671 11.459 ( 6.948 -5.321 -1.529) 8.884 11.605 ( -6.383 -5.222 -0.297) 8.252 12.797 ( 2.567 16.332 -1.772) 16.627 12.853 ( -2.856 15.462 -2.176) 15.874 13.154 ( 6.207 9.454 -5.342) 12.508 13.296 ( -7.386 7.635 -7.370) 12.929 14.278 ( 0.708 -3.149 -6.076) 6.880 14.287 ( -0.233 -4.229 -3.667) 5.603 14.639 ( 14.610 -12.320 -2.391) 19.260 14.966 ( -18.024 -15.964 -4.450) 24.485 17.732 ( 11.827 -13.648 12.771) 22.119 17.868 ( 0.763 -16.221 8.023) 18.113 18.176 ( 0.606 -17.868 -7.660) 19.450 18.304 ( -9.014 -17.672 -5.911) 20.700 28.339 ( 4.637 15.483 4.244) 16.710 28.440 ( -5.421 15.704 1.988) 16.732 28.885 ( 0.952 8.586 -1.222) 8.725 28.908 ( -1.443 9.033 -1.763) 9.316 30.445 ( 7.519 6.291 -2.304) 10.071 30.578 ( -5.707 4.049 -4.280) 8.203 31.874 ( 1.248 -7.245 -2.899) 7.903 31.900 ( -1.304 -6.817 -2.848) 7.502 85.936 ( 0.938 -2.390 5.098) 5.708 85.959 ( -1.314 -3.473 5.390) 6.545 87.485 ( 12.153 -24.772 19.587) 33.838 87.736 ( -12.704 -32.625 18.846) 39.761 ======================= Grid point 275 (94/162) ======================= q-point: ( 0.00 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.733 ( 0.000 15.238 18.138) 23.690 3.853 ( 0.000 30.428 13.179) 33.160 4.624 ( 0.000 14.783 6.891) 16.311 4.973 ( 0.000 5.858 -4.562) 7.425 5.524 ( 0.000 6.520 3.808) 7.551 6.320 ( 0.000 3.169 -0.807) 3.270 6.835 ( 0.000 48.679 11.734) 50.074 6.847 ( 0.000 -5.018 4.598) 6.806 7.597 ( 0.000 13.380 4.373) 14.077 7.675 ( 0.000 34.535 -8.344) 35.529 7.912 ( 0.000 4.740 -4.897) 6.815 8.148 ( 0.000 13.605 -8.200) 15.885 9.081 ( 0.000 -4.022 2.495) 4.733 9.133 ( 0.000 16.976 14.902) 22.589 9.326 ( 0.000 12.718 6.404) 14.239 9.720 ( 0.000 11.670 -8.430) 14.396 10.112 ( 0.000 10.397 3.455) 10.957 10.181 ( 0.000 3.898 -0.328) 3.912 10.377 ( 0.000 19.125 -3.570) 19.455 10.531 ( 0.000 8.969 -2.665) 9.357 10.841 ( 0.000 -3.943 -5.251) 6.567 11.224 ( 0.000 3.108 -4.312) 5.315 11.362 ( 0.000 -3.846 -3.191) 4.997 11.563 ( 0.000 -5.472 1.658) 5.718 13.012 ( 0.000 2.641 3.090) 4.065 13.062 ( 0.000 14.667 -2.343) 14.853 13.398 ( 0.000 14.070 -1.954) 14.205 13.534 ( 0.000 2.037 -4.072) 4.554 14.119 ( 0.000 -6.162 -5.259) 8.101 14.235 ( 0.000 -4.117 2.530) 4.832 14.258 ( 0.000 1.086 -8.594) 8.663 15.059 ( 0.000 -18.218 -10.023) 20.793 17.253 ( 0.000 -5.982 7.398) 9.513 17.382 ( 0.000 -17.342 -1.746) 17.430 17.861 ( 0.000 -23.256 -0.738) 23.268 18.115 ( 0.000 -18.386 -4.879) 19.022 28.522 ( 0.000 13.624 3.817) 14.149 28.809 ( 0.000 9.736 -2.433) 10.035 29.035 ( 0.000 8.518 2.159) 8.787 29.169 ( 0.000 10.598 -0.290) 10.602 30.458 ( 0.000 12.148 1.288) 12.217 30.753 ( 0.000 4.251 -4.520) 6.205 31.693 ( 0.000 -7.795 -1.877) 8.018 31.806 ( 0.000 -6.277 -2.767) 6.860 85.889 ( 0.000 -1.586 3.001) 3.394 85.893 ( 0.000 -3.855 4.392) 5.844 86.900 ( 0.000 -15.461 15.672) 22.015 87.312 ( 0.000 -31.622 15.216) 35.092 ======================= Grid point 276 (95/162) ======================= q-point: ( 0.20 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.681 ( -0.601 22.229 12.079) 25.306 4.008 ( 9.068 23.003 13.964) 28.397 4.437 ( -11.095 16.198 8.801) 21.517 5.044 ( -2.181 6.990 3.306) 8.034 5.485 ( 2.378 4.884 2.787) 6.106 6.227 ( -9.310 1.947 -4.047) 10.337 6.893 ( 7.172 45.635 10.933) 47.472 7.049 ( 16.575 -0.790 2.698) 16.811 7.465 ( -8.159 26.102 1.075) 27.369 7.794 ( 1.958 14.491 -5.948) 15.786 7.909 ( 3.907 14.811 -0.882) 15.343 8.171 ( 2.300 12.463 -8.050) 15.014 8.913 ( -12.099 3.813 3.173) 13.076 8.984 ( -12.307 5.712 12.286) 18.305 9.461 ( 8.517 14.798 6.086) 18.127 9.792 ( 5.641 11.845 -2.825) 13.420 9.989 ( -7.222 9.870 4.174) 12.923 10.213 ( -1.487 10.007 -1.089) 10.175 10.412 ( 4.728 12.331 -7.203) 15.043 10.615 ( 5.576 8.455 -4.622) 11.133 10.870 ( 2.954 -3.079 -4.026) 5.866 11.196 ( -3.908 0.123 0.681) 3.969 11.333 ( 0.208 -0.255 -6.272) 6.280 11.582 ( 0.457 -3.868 -0.127) 3.897 13.013 ( 0.447 3.557 2.775) 4.534 13.077 ( 1.318 12.767 -1.740) 12.952 13.361 ( -3.160 12.564 -2.804) 13.255 13.496 ( -4.118 2.036 -3.757) 5.934 14.146 ( 2.701 -6.221 -4.664) 8.231 14.245 ( 0.026 -0.921 -4.610) 4.701 14.298 ( 5.017 -2.437 -2.611) 6.159 14.943 ( -10.762 -15.775 -8.604) 20.945 17.313 ( 5.407 -10.908 7.166) 14.127 17.453 ( 6.378 -15.627 -0.022) 16.878 17.830 ( -2.501 -21.879 -2.022) 22.114 18.080 ( -3.688 -17.845 -5.267) 18.968 28.549 ( 2.696 13.565 3.440) 14.251 28.784 ( -2.527 10.498 -1.732) 10.936 29.040 ( 0.496 8.524 2.041) 8.779 29.141 ( -2.482 10.252 0.430) 10.557 30.501 ( 3.968 11.069 0.070) 11.759 30.735 ( -1.834 4.808 -4.373) 6.753 31.703 ( 1.012 -7.662 -1.948) 7.970 31.794 ( -1.117 -6.436 -2.668) 7.056 85.886 ( 0.051 -2.139 3.752) 4.319 85.901 ( 0.335 -2.824 3.565) 4.560 86.935 ( 3.538 -17.121 15.585) 23.421 87.269 ( -4.209 -30.108 15.201) 33.989 ======================= Grid point 277 (96/162) ======================= q-point: ( 0.40 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.752 ( 7.770 23.681 6.764) 25.824 3.960 ( -11.748 22.313 3.765) 25.496 4.488 ( 14.649 15.498 20.303) 29.445 4.817 ( -16.817 11.442 15.813) 25.764 5.688 ( 14.800 1.417 -3.026) 15.172 5.985 ( -14.594 0.864 -4.698) 15.356 7.074 ( 10.564 44.216 6.975) 45.993 7.278 ( -8.880 37.216 0.215) 38.262 7.411 ( 15.931 -2.794 1.808) 16.275 7.680 ( -10.438 1.542 -4.784) 11.586 8.088 ( 10.205 24.040 1.211) 26.144 8.208 ( -0.546 17.391 -5.423) 18.225 8.711 ( -6.444 3.411 7.298) 10.316 8.745 ( -9.354 -3.596 5.851) 11.605 9.620 ( 8.010 14.809 6.915) 18.201 9.776 ( -7.466 13.233 7.858) 17.105 9.987 ( 6.919 11.692 -2.738) 13.859 10.128 ( -6.441 12.723 -1.009) 14.296 10.541 ( 7.274 7.039 -10.436) 14.539 10.650 ( -2.666 6.880 -8.940) 11.592 10.955 ( 5.574 -1.194 -0.814) 5.758 11.079 ( -6.790 -1.196 1.907) 7.153 11.418 ( 7.094 1.516 -5.353) 9.016 11.544 ( -4.589 -0.883 -2.788) 5.441 13.043 ( 2.645 5.599 1.839) 6.460 13.089 ( -0.941 9.378 0.074) 9.426 13.319 ( 0.324 8.607 -3.827) 9.425 13.388 ( -5.784 3.719 -3.423) 7.681 14.204 ( 2.525 -4.244 -5.745) 7.576 14.237 ( -0.935 -1.784 -6.238) 6.555 14.452 ( 10.554 -5.907 -2.416) 12.334 14.694 ( -13.469 -10.892 -5.338) 18.126 17.438 ( 6.747 -16.663 6.699) 19.185 17.534 ( -1.056 -17.782 5.910) 18.768 17.832 ( 4.745 -17.007 -6.682) 18.879 17.970 ( -7.291 -16.472 -6.246) 19.066 28.622 ( 4.517 13.201 2.220) 14.128 28.713 ( -4.497 12.108 0.191) 12.917 29.056 ( 1.252 8.692 1.763) 8.957 29.091 ( -2.317 9.341 1.338) 9.717 30.593 ( 4.979 8.721 -2.155) 10.271 30.681 ( -3.739 6.398 -3.714) 8.289 31.730 ( 1.685 -7.305 -2.147) 7.799 31.765 ( -1.751 -6.838 -2.422) 7.463 85.892 ( 0.520 -1.962 3.711) 4.230 85.902 ( -0.294 -2.228 3.502) 4.162 87.032 ( 6.100 -21.282 15.379) 26.957 87.160 ( -6.500 -26.187 15.223) 30.980 ======================= Grid point 280 (97/162) ======================= q-point: ( 0.00 0.31 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.038 ( 0.000 16.051 7.483) 17.710 4.449 ( 0.000 30.021 8.724) 31.263 4.923 ( 0.000 15.276 3.771) 15.735 5.087 ( 0.000 6.107 -7.866) 9.959 5.604 ( 0.000 2.570 -0.984) 2.752 6.315 ( 0.000 -3.144 -6.933) 7.612 6.640 ( 0.000 -14.013 7.261) 15.783 7.465 ( 0.000 11.309 11.540) 16.158 7.791 ( 0.000 8.993 -2.917) 9.455 8.034 ( 0.000 7.120 6.698) 9.775 8.137 ( 0.000 4.957 -3.291) 5.951 8.434 ( 0.000 22.190 -6.903) 23.239 9.053 ( 0.000 3.804 -0.567) 3.846 9.257 ( 0.000 -1.034 7.673) 7.742 9.571 ( 0.000 11.744 3.512) 12.258 10.008 ( 0.000 9.341 0.373) 9.348 10.287 ( 0.000 7.782 2.454) 8.160 10.423 ( 0.000 19.676 -7.420) 21.029 10.719 ( 0.000 12.324 -1.740) 12.446 10.792 ( 0.000 -1.109 -0.286) 1.146 10.868 ( 0.000 28.817 -7.001) 29.655 11.188 ( 0.000 -3.703 3.298) 4.959 11.430 ( 0.000 8.697 -14.765) 17.136 11.498 ( 0.000 -0.626 -1.134) 1.296 13.034 ( 0.000 1.364 6.791) 6.927 13.303 ( 0.000 10.013 -1.860) 10.185 13.578 ( 0.000 3.690 -2.431) 4.419 13.595 ( 0.000 6.280 -1.853) 6.548 14.023 ( 0.000 -4.075 -4.346) 5.958 14.211 ( 0.000 1.899 4.811) 5.172 14.291 ( 0.000 1.942 -8.349) 8.572 14.784 ( 0.000 -9.839 -10.220) 14.187 17.039 ( 0.000 -17.280 -1.290) 17.328 17.105 ( 0.000 -9.171 2.680) 9.555 17.411 ( 0.000 -22.468 1.001) 22.490 17.768 ( 0.000 -17.559 -5.638) 18.442 28.767 ( 0.000 11.422 2.180) 11.628 28.967 ( 0.000 6.694 -1.661) 6.897 29.187 ( 0.000 6.808 3.690) 7.743 29.348 ( 0.000 7.249 1.350) 7.374 30.704 ( 0.000 12.748 0.007) 12.748 30.852 ( 0.000 5.693 -3.880) 6.890 31.550 ( 0.000 -6.707 -0.684) 6.742 31.690 ( 0.000 -5.460 -2.273) 5.914 85.842 ( 0.000 -1.382 2.768) 3.094 85.863 ( 0.000 -1.018 1.967) 2.215 86.619 ( 0.000 -13.165 10.855) 17.063 86.789 ( 0.000 -22.274 10.536) 24.640 ======================= Grid point 281 (98/162) ======================= q-point: ( 0.20 0.31 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.073 ( 3.925 18.505 5.581) 19.723 4.516 ( 4.353 27.970 7.785) 29.358 4.761 ( -9.226 16.468 3.720) 19.240 5.161 ( 0.175 5.298 -1.523) 5.515 5.558 ( 0.011 3.047 -1.052) 3.223 6.213 ( -9.830 -2.783 -6.145) 11.922 6.851 ( 18.529 -14.126 3.507) 23.562 7.503 ( 3.044 7.877 9.637) 12.814 7.754 ( -2.800 10.773 -2.436) 11.394 7.997 ( -3.803 7.628 5.597) 10.197 8.228 ( 7.425 2.701 -1.747) 8.092 8.445 ( 1.715 23.208 -5.395) 23.889 8.862 ( -13.293 1.022 -2.841) 13.631 9.183 ( -10.025 8.562 15.149) 20.083 9.683 ( 9.209 7.310 -0.732) 11.780 10.068 ( 5.243 7.770 1.194) 9.449 10.173 ( -7.347 12.321 2.252) 14.521 10.441 ( -0.105 13.643 -6.146) 14.964 10.785 ( 4.444 16.431 -4.114) 17.512 10.820 ( 0.151 6.906 -4.328) 8.151 10.876 ( 3.442 16.000 -3.542) 16.745 11.148 ( -3.674 -1.233 2.205) 4.459 11.436 ( 2.052 8.519 -11.978) 14.841 11.551 ( 3.228 1.385 -4.495) 5.705 13.032 ( 0.324 1.070 7.024) 7.112 13.284 ( -2.365 7.635 -0.053) 7.993 13.527 ( -4.092 5.417 -3.941) 7.850 13.568 ( -2.683 5.901 -2.635) 6.997 14.047 ( 2.719 -3.955 -2.502) 5.413 14.237 ( 0.443 0.712 0.067) 0.841 14.304 ( 2.795 1.774 -5.276) 6.228 14.712 ( -6.748 -7.901 -8.362) 13.338 17.035 ( 1.305 -16.334 1.757) 16.480 17.178 ( 3.920 -13.539 1.873) 14.219 17.416 ( 1.630 -20.067 -1.392) 20.181 17.742 ( -2.833 -17.206 -5.895) 18.407 28.791 ( 2.347 11.191 1.837) 11.581 28.955 ( -1.259 7.267 -1.402) 7.507 29.192 ( 0.495 6.748 3.630) 7.679 29.317 ( -2.825 7.283 1.964) 8.055 30.727 ( 2.186 11.898 -0.634) 12.114 30.845 ( -0.726 6.251 -3.685) 7.292 31.562 ( 1.226 -6.633 -0.858) 6.800 31.676 ( -1.415 -5.606 -2.141) 6.166 85.850 ( 0.684 -1.075 2.650) 2.940 85.869 ( 0.420 -0.943 1.949) 2.206 86.628 ( 1.013 -14.197 10.865) 17.906 86.767 ( -2.123 -21.567 10.571) 24.112 ======================= Grid point 282 (99/162) ======================= q-point: ( 0.40 0.31 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.200 ( 9.080 21.952 2.523) 23.890 4.413 ( -11.703 23.515 0.533) 26.272 4.805 ( 10.566 17.217 12.353) 23.678 5.029 ( -11.014 10.640 8.288) 17.413 5.697 ( 12.200 -0.273 -5.376) 13.334 5.967 ( -14.245 -2.231 -6.039) 15.632 7.244 ( 18.978 -12.986 -0.667) 23.006 7.504 ( -6.033 -5.768 1.435) 8.469 7.742 ( 3.515 17.220 3.699) 17.960 7.875 ( -8.147 12.566 6.633) 16.379 8.367 ( 6.532 1.652 -5.305) 8.575 8.482 ( -2.415 9.958 -5.744) 11.747 8.704 ( 2.865 11.270 6.026) 13.097 8.921 ( -14.665 14.366 13.882) 24.782 9.854 ( 7.877 6.572 0.801) 10.290 10.003 ( -7.575 6.415 2.384) 10.209 10.235 ( 8.589 13.443 0.745) 15.970 10.388 ( -5.910 12.757 -1.825) 14.177 10.817 ( 2.482 17.806 -10.548) 20.843 10.860 ( -0.002 12.956 -8.930) 15.735 10.959 ( 4.846 5.052 0.191) 7.003 11.060 ( -5.047 2.754 0.854) 5.812 11.511 ( 4.701 7.381 -9.885) 13.202 11.576 ( -1.166 4.226 -7.300) 8.516 13.073 ( 4.284 0.749 6.599) 7.904 13.191 ( -6.721 2.271 4.159) 8.224 13.477 ( -0.150 7.913 -5.456) 9.613 13.509 ( -2.816 7.447 -4.396) 9.094 14.122 ( 4.470 -3.592 -2.901) 6.426 14.202 ( -3.286 -1.694 -4.104) 5.524 14.406 ( 6.697 0.141 -2.183) 7.045 14.556 ( -8.381 -3.689 -4.460) 10.185 17.095 ( 4.334 -17.735 3.524) 18.594 17.179 ( -3.319 -18.238 4.020) 18.969 17.514 ( 7.457 -15.831 -5.593) 18.372 17.654 ( -6.103 -16.253 -6.238) 18.448 28.851 ( 3.513 10.354 0.818) 10.964 28.915 ( -2.798 8.791 -0.519) 9.240 29.210 ( 1.551 6.750 3.463) 7.743 29.256 ( -3.002 7.063 2.979) 8.232 30.777 ( 2.616 9.921 -1.939) 10.442 30.821 ( -1.744 7.797 -3.051) 8.552 31.596 ( 2.087 -6.380 -1.290) 6.835 31.639 ( -2.206 -5.976 -1.778) 6.614 85.865 ( 0.740 -0.666 2.342) 2.545 85.873 ( -0.053 -0.691 2.041) 2.155 86.660 ( 2.290 -16.760 10.819) 20.080 86.714 ( -2.980 -19.574 10.683) 22.497 ======================= Grid point 285 (100/162) ======================= q-point: ( 0.00 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.365 ( 0.000 17.684 -2.246) 17.826 4.961 ( 0.000 18.512 1.914) 18.611 5.183 ( 0.000 10.132 0.141) 10.133 5.257 ( 0.000 14.729 -8.385) 16.948 5.656 ( 0.000 3.638 -4.458) 5.754 6.138 ( 0.000 -17.380 -17.890) 24.942 6.410 ( 0.000 -6.148 14.423) 15.679 7.427 ( 0.000 -11.110 8.826) 14.189 7.874 ( 0.000 0.214 -0.712) 0.744 8.132 ( 0.000 -2.367 0.993) 2.567 8.141 ( 0.000 4.145 9.258) 10.143 8.676 ( 0.000 -0.674 -1.043) 1.241 9.239 ( 0.000 12.275 -6.181) 13.744 9.323 ( 0.000 9.884 -2.884) 10.296 9.783 ( 0.000 9.555 2.071) 9.776 10.058 ( 0.000 -1.805 3.728) 4.142 10.430 ( 0.000 7.015 2.519) 7.453 10.644 ( 0.000 3.953 -1.799) 4.343 10.777 ( 0.000 -0.074 3.506) 3.507 10.947 ( 0.000 1.826 2.774) 3.321 11.288 ( 0.000 16.826 -9.885) 19.515 11.387 ( 0.000 21.374 -9.356) 23.332 11.550 ( 0.000 5.530 -4.736) 7.281 11.628 ( 0.000 10.895 -15.366) 18.836 13.142 ( 0.000 10.985 4.876) 12.019 13.462 ( 0.000 6.737 -0.951) 6.804 13.688 ( 0.000 4.411 -2.396) 5.020 13.700 ( 0.000 8.703 -2.498) 9.054 13.956 ( 0.000 -2.272 1.169) 2.555 14.279 ( 0.000 3.624 5.729) 6.779 14.323 ( 0.000 1.111 -6.149) 6.249 14.661 ( 0.000 -3.532 -7.711) 8.481 16.729 ( 0.000 -13.966 -0.878) 13.994 16.897 ( 0.000 -11.994 0.157) 11.995 17.004 ( 0.000 -18.318 2.154) 18.445 17.419 ( 0.000 -18.266 -5.162) 18.981 28.968 ( 0.000 9.161 1.320) 9.255 29.078 ( 0.000 4.817 -0.601) 4.854 29.293 ( 0.000 3.958 3.560) 5.323 29.443 ( 0.000 2.417 1.679) 2.943 30.945 ( 0.000 11.710 -0.651) 11.728 30.970 ( 0.000 6.253 -2.809) 6.855 31.433 ( 0.000 -5.282 0.279) 5.289 31.591 ( 0.000 -4.918 -1.524) 5.149 85.837 ( 0.000 0.681 1.778) 1.904 85.852 ( 0.000 -0.068 1.371) 1.373 86.390 ( 0.000 -10.208 6.791) 12.260 86.431 ( 0.000 -14.580 6.314) 15.888 ======================= Grid point 286 (101/162) ======================= q-point: ( 0.20 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.429 ( 6.418 18.385 -2.509) 19.634 5.032 ( 6.234 18.285 3.401) 19.615 5.067 ( -9.468 17.558 -2.569) 20.113 5.273 ( -0.352 8.514 -4.552) 9.661 5.612 ( -1.345 2.343 -5.328) 5.973 6.122 ( -6.196 -6.791 -10.511) 13.964 6.542 ( 15.338 -15.658 6.610) 22.894 7.405 ( -3.206 -13.649 6.007) 15.253 7.868 ( 0.027 1.634 1.523) 2.234 8.074 ( -3.630 1.298 7.150) 8.124 8.220 ( 5.297 -1.228 3.269) 6.344 8.628 ( -5.323 -3.633 -1.299) 6.575 9.095 ( -5.283 18.206 -4.832) 19.563 9.399 ( -1.898 13.080 4.272) 13.890 9.785 ( 2.871 3.321 -2.493) 5.049 10.097 ( 1.157 -2.075 3.369) 4.123 10.389 ( -1.341 9.211 1.355) 9.406 10.626 ( -0.663 4.819 -3.158) 5.800 10.826 ( 2.867 0.104 3.911) 4.851 10.943 ( -0.564 -1.606 3.006) 3.454 11.297 ( 1.506 20.582 -10.703) 23.248 11.393 ( 0.307 20.215 -10.131) 22.614 11.598 ( 4.073 7.171 -8.800) 12.060 11.665 ( 2.997 9.891 -14.095) 17.478 13.137 ( -0.087 10.904 6.249) 12.568 13.408 ( -5.432 6.679 2.020) 8.843 13.654 ( -2.425 6.429 -4.783) 8.372 13.682 ( -1.605 6.968 -2.565) 7.596 13.989 ( 3.191 -1.746 1.551) 3.954 14.260 ( -2.802 1.010 -0.290) 2.993 14.344 ( 2.731 1.741 -0.596) 3.293 14.614 ( -4.359 -2.951 -5.805) 7.836 16.731 ( 0.977 -13.815 0.803) 13.873 16.901 ( -1.122 -13.970 1.594) 14.105 17.059 ( 5.951 -16.615 -1.464) 17.709 17.398 ( -2.232 -18.004 -5.364) 18.919 28.987 ( 1.864 8.975 1.063) 9.228 29.077 ( -0.200 5.345 -0.529) 5.375 29.294 ( 0.211 3.659 3.540) 5.096 29.414 ( -2.677 2.579 2.075) 4.257 30.955 ( 0.862 11.171 -0.904) 11.240 30.973 ( 0.304 6.746 -2.625) 7.245 31.446 ( 1.271 -5.361 0.044) 5.509 31.574 ( -1.644 -5.002 -1.403) 5.449 85.848 ( 1.070 0.894 1.669) 2.175 85.862 ( 0.828 0.273 1.300) 1.565 86.383 ( -0.567 -10.881 6.837) 12.863 86.417 ( -1.300 -14.458 6.414) 15.870 ======================= Grid point 287 (102/162) ======================= q-point: ( 0.40 0.38 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.605 ( 11.158 19.550 -2.979) 22.707 4.843 ( -12.467 19.422 -3.254) 23.307 5.160 ( 5.389 18.118 4.569) 19.447 5.237 ( -2.917 11.120 0.302) 11.500 5.683 ( 8.878 -0.916 -7.038) 11.367 5.915 ( -13.025 -2.311 -6.161) 14.593 6.917 ( 20.212 -19.846 0.766) 28.336 7.254 ( -12.878 -18.429 1.458) 22.530 7.900 ( 3.364 3.064 5.427) 7.082 7.987 ( -4.966 2.370 7.361) 9.191 8.339 ( 6.686 -3.657 1.696) 7.807 8.484 ( -8.104 -4.665 -0.609) 9.370 9.101 ( 5.228 20.825 0.530) 21.478 9.258 ( -9.568 18.072 5.463) 21.165 9.894 ( 6.884 -1.396 -1.794) 7.250 10.031 ( -6.576 -2.250 1.631) 7.139 10.459 ( 7.054 9.513 -0.630) 11.860 10.587 ( -4.640 7.729 -2.585) 9.378 10.874 ( 2.809 -1.905 2.744) 4.365 10.924 ( -1.699 -2.778 2.312) 3.993 11.346 ( 2.884 22.783 -11.974) 25.899 11.388 ( -1.125 20.924 -11.454) 23.880 11.675 ( 3.139 8.246 -13.262) 15.929 11.705 ( 0.354 8.507 -13.618) 16.061 13.164 ( 3.375 9.912 7.842) 13.082 13.273 ( -7.243 7.731 6.268) 12.309 13.628 ( 0.039 7.204 -5.342) 8.969 13.648 ( -1.657 7.053 -4.309) 8.429 14.072 ( 5.099 -1.457 0.643) 5.342 14.177 ( -5.218 -0.823 -1.198) 5.416 14.416 ( 4.385 -0.040 0.220) 4.391 14.513 ( -5.418 -1.714 -2.097) 6.057 16.777 ( 3.421 -13.989 2.178) 14.565 16.850 ( -3.607 -14.461 2.449) 15.104 17.201 ( 7.482 -16.403 -4.669) 18.623 17.327 ( -5.127 -17.278 -5.532) 18.852 29.031 ( 2.290 8.247 0.378) 8.567 29.065 ( -1.102 6.766 -0.259) 6.860 29.308 ( 1.413 3.074 3.425) 4.814 29.353 ( -3.085 2.790 2.903) 5.072 30.972 ( 0.666 9.764 -1.494) 9.900 30.978 ( 0.040 8.074 -2.133) 8.351 31.482 ( 2.321 -5.393 -0.500) 5.893 31.531 ( -2.549 -5.215 -1.045) 5.897 85.870 ( 0.889 1.232 1.403) 2.068 85.876 ( 0.362 0.986 1.232) 1.619 86.376 ( 0.037 -12.498 6.859) 14.256 86.389 ( -1.268 -13.889 6.669) 15.459 ======================= Grid point 290 (103/162) ======================= q-point: ( 0.00 0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.735 ( 0.000 20.290 -9.701) 22.489 5.142 ( 0.000 3.955 -8.174) 9.081 5.290 ( 0.000 1.464 -4.606) 4.833 5.642 ( 0.000 15.357 -7.127) 16.930 5.716 ( 0.000 -20.319 -13.455) 24.370 5.761 ( 0.000 6.322 -5.474) 8.363 6.393 ( 0.000 4.853 11.443) 12.430 7.092 ( 0.000 -21.708 7.167) 22.861 7.887 ( 0.000 2.490 5.598) 6.127 8.070 ( 0.000 -4.079 3.499) 5.374 8.236 ( 0.000 5.749 4.064) 7.040 8.541 ( 0.000 -9.615 1.636) 9.753 9.449 ( 0.000 8.740 -9.014) 12.556 9.523 ( 0.000 7.580 -8.679) 11.523 9.914 ( 0.000 3.594 2.872) 4.601 9.993 ( 0.000 -3.701 5.142) 6.336 10.555 ( 0.000 5.408 1.728) 5.677 10.669 ( 0.000 -0.521 0.368) 0.638 10.793 ( 0.000 1.767 5.109) 5.406 10.907 ( 0.000 -3.330 4.442) 5.552 11.563 ( 0.000 8.863 -13.669) 16.291 11.652 ( 0.000 3.226 -9.549) 10.079 11.696 ( 0.000 11.595 -9.912) 15.255 11.817 ( 0.000 6.824 -14.525) 16.048 13.429 ( 0.000 15.770 2.396) 15.951 13.587 ( 0.000 6.150 -0.362) 6.161 13.764 ( 0.000 2.173 -3.537) 4.151 13.805 ( 0.000 -1.311 -10.864) 10.943 14.055 ( 0.000 15.195 12.183) 19.476 14.316 ( 0.000 0.185 4.911) 4.915 14.334 ( 0.000 0.155 -3.059) 3.063 14.599 ( 0.000 -4.712 -2.502) 5.335 16.514 ( 0.000 -7.325 0.311) 7.332 16.656 ( 0.000 -11.850 -0.393) 11.856 16.753 ( 0.000 -5.805 0.510) 5.827 17.067 ( 0.000 -17.082 -4.011) 17.547 29.119 ( 0.000 6.027 1.258) 6.157 29.156 ( 0.000 3.042 0.495) 3.082 29.348 ( 0.000 2.068 2.308) 3.099 29.447 ( 0.000 -1.711 1.282) 2.138 31.090 ( 0.000 5.907 -1.560) 6.109 31.147 ( 0.000 8.218 -1.064) 8.287 31.346 ( 0.000 -3.212 0.815) 3.314 31.491 ( 0.000 -5.500 -0.774) 5.554 85.861 ( 0.000 0.907 1.412) 1.678 85.861 ( 0.000 1.495 1.693) 2.258 86.215 ( 0.000 -7.494 3.234) 8.162 86.224 ( 0.000 -6.620 3.710) 7.589 ======================= Grid point 291 (104/162) ======================= q-point: ( 0.20 0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.800 ( 6.312 19.497 -9.563) 22.615 5.212 ( 6.277 3.319 -8.499) 11.075 5.263 ( -3.012 4.657 -5.236) 7.627 5.592 ( -5.863 -2.145 -9.764) 11.589 5.629 ( 0.371 14.868 -5.172) 15.747 5.965 ( 10.568 -6.360 -8.293) 14.863 6.351 ( -1.896 -0.841 10.621) 10.821 7.031 ( -6.607 -23.102 5.758) 24.708 7.904 ( 1.909 3.302 5.781) 6.926 8.083 ( 0.707 -1.705 3.746) 4.176 8.216 ( -1.359 2.210 4.606) 5.287 8.482 ( -5.582 -9.172 1.720) 10.874 9.400 ( -0.978 12.545 -6.322) 14.082 9.609 ( 3.949 6.172 -5.313) 9.051 9.823 ( -5.386 1.930 2.343) 6.182 10.024 ( -0.586 -4.975 3.624) 6.183 10.543 ( 0.570 6.489 0.513) 6.534 10.669 ( 1.492 0.154 -0.772) 1.687 10.831 ( 1.456 0.437 4.412) 4.666 10.888 ( -1.511 -2.828 3.562) 4.792 11.596 ( 3.309 9.341 -13.034) 16.373 11.681 ( 1.926 6.439 -11.706) 13.498 11.727 ( 3.194 8.552 -11.775) 14.900 11.845 ( 1.947 6.373 -15.422) 16.800 13.419 ( -0.506 15.059 4.158) 15.630 13.573 ( -1.780 9.584 0.866) 9.786 13.736 ( -1.418 1.442 -4.206) 4.667 13.810 ( -0.876 2.913 -8.215) 8.760 14.045 ( 0.271 10.212 10.071) 14.345 14.269 ( -4.090 0.048 0.519) 4.123 14.348 ( 0.857 -1.261 2.227) 2.699 14.551 ( -4.500 -5.133 -0.841) 6.878 16.528 ( 1.884 -6.046 0.880) 6.394 16.694 ( 0.971 -6.924 -0.921) 7.052 16.768 ( 3.495 -11.296 -0.628) 11.841 17.050 ( -1.815 -16.935 -4.161) 17.533 29.138 ( 1.736 6.121 1.091) 6.455 29.165 ( 0.878 3.610 0.485) 3.746 29.339 ( -0.746 1.352 2.339) 2.803 29.422 ( -2.413 -1.559 1.483) 3.233 31.102 ( 1.155 6.305 -1.431) 6.568 31.153 ( 0.381 8.569 -1.005) 8.636 31.352 ( 0.726 -4.058 0.532) 4.157 31.473 ( -1.722 -5.496 -0.722) 5.804 85.877 ( 1.619 1.648 1.443) 2.724 85.881 ( 1.753 1.766 1.493) 2.902 86.197 ( -1.640 -7.942 3.362) 8.779 86.206 ( -1.705 -7.186 3.739) 8.278 ======================= Grid point 292 (105/162) ======================= q-point: ( 0.40 0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.964 ( 9.819 17.052 -9.030) 21.650 5.151 ( -8.375 12.385 -7.538) 16.744 5.345 ( 6.659 1.820 -9.205) 11.506 5.473 ( -6.432 2.659 -8.828) 11.241 5.733 ( 10.291 11.803 -1.084) 15.697 5.959 ( -10.063 9.774 -0.177) 14.029 6.504 ( 16.165 -21.415 2.421) 26.941 6.823 ( -14.431 -24.526 2.847) 28.598 7.965 ( 4.201 4.604 5.857) 8.553 8.053 ( -3.963 4.706 5.031) 7.948 8.238 ( 4.115 -6.272 4.271) 8.632 8.352 ( -6.874 -8.083 2.819) 10.979 9.441 ( 4.893 14.155 -1.653) 15.068 9.568 ( -6.917 13.307 1.842) 15.110 9.822 ( 5.015 -5.633 -2.225) 7.863 9.944 ( -6.383 -6.215 1.323) 9.007 10.613 ( 5.696 6.432 -0.668) 8.618 10.701 ( -1.071 4.016 -1.379) 4.379 10.824 ( 0.424 -2.880 2.599) 3.903 10.863 ( -1.820 -3.155 2.264) 4.288 11.672 ( 3.633 10.365 -13.526) 17.424 11.710 ( 0.193 11.942 -13.752) 18.215 11.795 ( 3.589 3.628 -15.369) 16.194 11.854 ( -1.578 5.017 -16.757) 17.563 13.434 ( 2.399 15.146 6.323) 16.588 13.508 ( -4.476 15.086 4.567) 16.385 13.734 ( 1.332 2.452 -3.832) 4.741 13.774 ( -2.263 4.472 -5.558) 7.484 14.087 ( 3.642 4.309 5.026) 7.556 14.174 ( -5.026 0.967 1.972) 5.485 14.374 ( 2.291 -4.613 3.105) 6.014 14.449 ( -5.151 -5.811 1.909) 7.996 16.588 ( 3.851 -4.260 0.725) 5.788 16.662 ( -3.219 -3.687 0.136) 4.897 16.883 ( 6.449 -15.513 -3.398) 17.140 16.991 ( -4.341 -16.461 -4.229) 17.542 29.175 ( 1.547 6.344 0.633) 6.561 29.183 ( 0.620 5.284 0.427) 5.337 29.331 ( 0.369 -0.553 2.409) 2.499 29.365 ( -2.868 -1.399 2.014) 3.773 31.130 ( 1.484 7.382 -1.139) 7.615 31.152 ( -0.621 8.530 -0.945) 8.605 31.379 ( 2.113 -5.243 -0.083) 5.653 31.429 ( -2.647 -5.496 -0.527) 6.123 85.912 ( 1.452 2.975 1.220) 3.528 85.915 ( 1.190 3.133 1.246) 3.575 86.165 ( -1.121 -9.109 3.707) 9.898 86.170 ( -1.504 -8.718 3.844) 9.646 ======================= Grid point 295 (106/162) ======================= q-point: ( 0.00 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.113 ( 0.000 -13.021 -12.480) 18.036 5.113 ( 0.000 13.021 -12.480) 18.036 5.327 ( 0.000 -8.248 -9.711) 12.741 5.327 ( 0.000 8.248 -9.712) 12.742 5.838 ( 0.000 -0.585 -5.798) 5.827 5.838 ( 0.000 0.585 -5.798) 5.827 6.654 ( 0.000 -20.782 9.229) 22.739 6.654 ( 0.000 20.782 9.229) 22.739 7.972 ( 0.000 -5.505 5.371) 7.691 7.972 ( 0.000 5.505 5.371) 7.691 8.366 ( 0.000 -7.742 2.443) 8.118 8.366 ( 0.000 7.742 2.443) 8.118 9.569 ( 0.000 -2.785 -10.761) 11.115 9.569 ( 0.000 2.785 -10.761) 11.115 9.947 ( 0.000 -1.006 5.286) 5.381 9.947 ( 0.000 1.006 5.286) 5.381 10.635 ( 0.000 -2.898 1.298) 3.175 10.635 ( 0.000 2.898 1.298) 3.176 10.842 ( 0.000 -3.073 4.898) 5.782 10.842 ( 0.000 3.073 4.898) 5.782 11.661 ( 0.000 -2.032 -12.280) 12.447 11.661 ( 0.000 2.032 -12.280) 12.447 11.850 ( 0.000 -3.556 -12.659) 13.150 11.850 ( 0.000 3.556 -12.659) 13.150 13.655 ( 0.000 -3.732 3.513) 5.125 13.655 ( 0.000 3.732 3.513) 5.125 13.755 ( 0.000 -0.504 -8.486) 8.501 13.755 ( 0.000 0.504 -8.486) 8.501 14.307 ( 0.000 -1.763 1.918) 2.605 14.307 ( 0.000 1.763 1.918) 2.605 14.414 ( 0.000 -13.409 4.135) 14.032 14.414 ( 0.000 13.409 4.135) 14.032 16.482 ( 0.000 -4.461 0.378) 4.477 16.482 ( 0.000 4.461 0.378) 4.477 16.795 ( 0.000 -9.367 -2.320) 9.650 16.795 ( 0.000 9.367 -2.320) 9.650 29.185 ( 0.000 -0.551 1.340) 1.449 29.185 ( 0.000 0.551 1.340) 1.449 29.395 ( 0.000 -2.965 1.142) 3.178 29.395 ( 0.000 2.965 1.142) 3.178 31.189 ( 0.000 -3.601 -0.869) 3.705 31.189 ( 0.000 3.601 -0.869) 3.705 31.375 ( 0.000 -5.822 0.015) 5.822 31.375 ( 0.000 5.822 0.015) 5.822 85.877 ( 0.000 -0.229 1.880) 1.894 85.877 ( 0.000 0.229 1.880) 1.894 86.147 ( 0.000 -0.633 2.095) 2.188 86.147 ( 0.000 0.633 2.095) 2.188 ======================= Grid point 297 (107/162) ======================= q-point: ( 0.20 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.144 ( 3.500 -12.313 -12.502) 17.893 5.144 ( 3.500 12.313 -12.502) 17.893 5.375 ( 2.789 -9.277 -10.303) 14.142 5.375 ( 2.789 9.277 -10.303) 14.142 5.872 ( 4.747 -6.789 -3.967) 9.185 5.872 ( 4.747 6.790 -3.967) 9.185 6.574 ( -8.041 -21.233 7.985) 24.068 6.574 ( -8.041 21.233 7.985) 24.068 7.999 ( 2.742 -5.676 5.444) 8.329 7.999 ( 2.742 5.676 5.444) 8.329 8.315 ( -4.837 -7.270 3.002) 9.234 8.315 ( -4.837 7.270 3.002) 9.234 9.589 ( 2.302 -6.610 -8.118) 10.719 9.589 ( 2.302 6.610 -8.118) 10.719 9.913 ( -3.972 -6.148 4.514) 8.599 9.913 ( -3.972 6.148 4.514) 8.599 10.639 ( 1.584 -3.289 0.289) 3.662 10.639 ( 1.584 3.289 0.289) 3.662 10.847 ( -0.354 -1.361 3.906) 4.151 10.847 ( -0.354 1.361 3.906) 4.151 11.700 ( 3.728 -2.176 -13.070) 13.765 11.700 ( 3.728 2.176 -13.070) 13.765 11.872 ( 1.492 -3.623 -14.114) 14.647 11.872 ( 1.492 3.623 -14.114) 14.647 13.639 ( -0.436 -6.397 2.841) 7.013 13.639 ( -0.436 6.397 2.841) 7.013 13.780 ( 1.294 -5.229 -6.762) 8.646 13.780 ( 1.294 5.229 -6.762) 8.646 14.259 ( -3.791 -3.394 3.579) 6.221 14.259 ( -3.791 3.394 3.579) 6.221 14.380 ( -3.428 -9.691 4.390) 11.177 14.380 ( -3.428 9.691 4.390) 11.177 16.529 ( 4.419 -6.157 -0.337) 7.586 16.529 ( 4.419 6.157 -0.337) 7.586 16.780 ( -1.675 -9.379 -2.385) 9.821 16.780 ( -1.675 9.379 -2.385) 9.821 29.204 ( 1.867 -0.313 1.326) 2.311 29.204 ( 1.867 0.313 1.326) 2.311 29.373 ( -2.098 -2.599 1.164) 3.537 29.373 ( -2.098 2.599 1.164) 3.537 31.209 ( 1.874 -3.829 -0.784) 4.334 31.209 ( 1.874 3.829 -0.784) 4.334 31.359 ( -1.642 -5.619 -0.072) 5.854 31.359 ( -1.642 5.619 -0.072) 5.854 85.903 ( 2.553 -0.342 1.899) 3.200 85.903 ( 2.553 0.342 1.899) 3.200 86.121 ( -2.540 -0.628 2.073) 3.338 86.121 ( -2.540 0.628 2.073) 3.338 ======================= Grid point 299 (108/162) ======================= q-point: ( 0.40 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.246 ( 6.371 -10.166 -12.324) 17.199 5.246 ( 6.371 10.166 -12.324) 17.199 5.361 ( -4.284 -8.386 -11.700) 15.018 5.361 ( -4.284 8.386 -11.700) 15.018 6.061 ( 13.888 -16.939 0.445) 21.909 6.061 ( 13.888 16.939 0.445) 21.909 6.351 ( -14.167 -20.984 4.709) 25.753 6.351 ( -14.167 20.984 4.709) 25.753 8.079 ( 5.310 -5.984 5.275) 9.583 8.079 ( 5.310 5.984 5.275) 9.583 8.198 ( -6.530 -6.455 4.308) 10.142 8.198 ( -6.530 6.455 4.308) 10.142 9.666 ( 5.531 -8.850 -3.006) 10.861 9.666 ( 5.531 8.850 -3.006) 10.861 9.796 ( -7.159 -8.699 1.673) 11.389 9.796 ( -7.159 8.699 1.673) 11.389 10.713 ( 5.241 -3.455 -0.011) 6.277 10.713 ( 5.241 3.455 -0.011) 6.277 10.807 ( -3.741 -2.149 1.745) 4.654 10.807 ( -3.741 2.149 1.745) 4.654 11.792 ( 5.112 -2.501 -15.003) 16.046 11.792 ( 5.112 2.501 -15.003) 16.046 11.871 ( -2.207 -3.238 -15.954) 16.428 11.871 ( -2.207 3.238 -15.954) 16.428 13.670 ( 3.827 -7.391 1.699) 8.495 13.670 ( 3.827 7.391 1.699) 8.495 13.759 ( -3.792 -6.518 -2.934) 8.091 13.759 ( -3.792 6.518 -2.934) 8.091 14.222 ( 1.171 -1.874 5.208) 5.657 14.222 ( 1.171 1.874 5.208) 5.657 14.292 ( -4.934 -4.958 4.808) 8.488 14.292 ( -4.934 4.958 4.808) 8.488 16.632 ( 5.488 -8.221 -1.588) 10.011 16.632 ( 5.488 8.221 -1.588) 10.011 16.726 ( -3.862 -9.172 -2.296) 10.213 16.726 ( -3.862 9.172 -2.296) 10.213 29.254 ( 3.122 -0.658 1.282) 3.439 29.254 ( 3.122 0.658 1.282) 3.439 29.319 ( -3.264 -1.687 1.219) 3.871 29.319 ( -3.264 1.687 1.219) 3.871 31.257 ( 2.901 -4.403 -0.565) 5.303 31.257 ( 2.901 4.403 -0.565) 5.303 31.314 ( -2.759 -5.082 -0.294) 5.790 31.314 ( -2.759 5.082 -0.294) 5.790 85.970 ( 4.124 -0.502 1.950) 4.589 85.970 ( 4.124 0.502 1.950) 4.589 86.054 ( -4.116 -0.596 2.016) 4.622 86.054 ( -4.116 0.596 2.016) 4.622 ======================= Grid point 340 (109/162) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 0.000 0.000 26.774) 26.774 2.962 ( 0.000 0.000 30.216) 30.216 3.755 ( 0.000 0.000 -10.866) 10.866 4.088 ( 0.000 0.000 -1.471) 1.471 4.339 ( 0.000 0.000 12.702) 12.702 4.729 ( 0.000 0.000 34.867) 34.867 4.973 ( 0.000 0.000 -8.272) 8.272 5.220 ( 0.000 0.000 6.721) 6.721 6.493 ( 0.000 0.000 -0.746) 0.746 6.815 ( 0.000 0.000 -8.711) 8.711 7.793 ( 0.000 0.000 -6.625) 6.625 7.812 ( 0.000 0.000 6.115) 6.115 8.362 ( 0.000 0.000 0.176) 0.176 8.410 ( 0.000 0.000 -1.414) 1.414 9.118 ( 0.000 0.000 0.251) 0.251 9.137 ( 0.000 0.000 -0.320) 0.320 9.451 ( 0.000 0.000 -1.078) 1.078 9.695 ( 0.000 0.000 -9.637) 9.637 10.146 ( 0.000 0.000 15.556) 15.556 10.537 ( 0.000 0.000 -2.356) 2.356 11.219 ( 0.000 0.000 0.334) 0.334 11.437 ( 0.000 0.000 -5.333) 5.333 11.752 ( 0.000 0.000 4.127) 4.127 12.086 ( 0.000 0.000 0.143) 0.143 12.095 ( 0.000 0.000 -0.204) 0.204 12.185 ( 0.000 0.000 -0.196) 0.196 12.185 ( 0.000 0.000 -0.239) 0.239 12.276 ( 0.000 0.000 -15.233) 15.233 14.282 ( 0.000 0.000 -2.864) 2.864 14.457 ( 0.000 0.000 -6.498) 6.498 15.096 ( 0.000 0.000 19.799) 19.799 16.247 ( 0.000 0.000 -13.475) 13.475 17.868 ( 0.000 0.000 17.566) 17.566 18.178 ( 0.000 0.000 1.515) 1.515 18.999 ( 0.000 0.000 -0.084) 0.084 19.369 ( 0.000 0.000 -9.320) 9.320 27.851 ( 0.000 0.000 10.156) 10.156 27.907 ( 0.000 0.000 8.971) 8.971 28.431 ( 0.000 0.000 -7.796) 7.796 28.456 ( 0.000 0.000 -9.187) 9.187 30.101 ( 0.000 0.000 8.861) 8.861 30.560 ( 0.000 0.000 -6.101) 6.101 32.040 ( 0.000 0.000 -2.836) 2.836 32.093 ( 0.000 0.000 -3.177) 3.177 86.137 ( 0.000 0.000 8.558) 8.558 86.379 ( 0.000 0.000 2.991) 2.991 88.389 ( 0.000 0.000 29.458) 29.458 89.995 ( 0.000 0.000 -23.701) 23.701 ======================= Grid point 341 (110/162) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 8.270 0.000 24.153) 25.530 2.886 ( -4.562 0.000 23.922) 24.353 3.592 ( -13.938 0.000 -2.169) 14.106 3.765 ( -26.600 0.000 -1.694) 26.654 4.464 ( 10.102 0.000 5.297) 11.407 4.937 ( -3.629 0.000 -7.631) 8.450 4.940 ( 18.594 0.000 33.578) 38.383 5.424 ( 13.673 0.000 8.206) 15.947 6.454 ( -0.815 0.000 4.481) 4.554 6.868 ( 2.328 0.000 -6.359) 6.772 7.719 ( -1.510 0.000 2.899) 3.269 7.916 ( 4.400 0.000 -4.933) 6.610 8.366 ( 0.430 0.000 0.034) 0.432 8.405 ( -0.490 0.000 -1.251) 1.344 9.120 ( 0.211 0.000 0.185) 0.280 9.136 ( -0.149 0.000 -0.276) 0.313 9.411 ( -4.717 0.000 -4.458) 6.491 9.510 ( -13.076 0.000 -9.027) 15.890 10.255 ( 7.962 0.000 11.633) 14.097 10.551 ( 0.822 0.000 0.096) 0.828 11.219 ( 0.759 0.000 1.929) 2.073 11.438 ( -0.527 0.000 1.313) 1.415 11.806 ( 5.446 0.000 -2.370) 5.939 12.089 ( 0.251 0.000 0.114) 0.275 12.096 ( 0.096 0.000 -0.173) 0.198 12.183 ( -0.174 0.000 -0.197) 0.262 12.184 ( -0.170 0.000 -0.241) 0.295 12.257 ( -2.609 0.000 -15.160) 15.383 14.325 ( 3.700 0.000 -2.311) 4.363 14.490 ( 2.596 0.000 -5.719) 6.280 15.070 ( -0.626 0.000 15.154) 15.167 15.988 ( -21.987 0.000 -9.839) 24.088 18.135 ( 22.882 0.000 12.658) 26.150 18.266 ( 8.496 0.000 2.177) 8.771 18.925 ( -7.324 0.000 0.285) 7.330 19.288 ( -8.431 0.000 -6.521) 10.658 27.856 ( 0.509 0.000 10.050) 10.063 27.901 ( -0.551 0.000 9.092) 9.109 28.433 ( 0.264 0.000 -7.937) 7.941 28.454 ( -0.222 0.000 -9.061) 9.064 30.152 ( 4.953 0.000 6.456) 8.137 30.522 ( -3.793 0.000 -5.414) 6.611 32.046 ( 0.528 0.000 -2.778) 2.828 32.090 ( -0.388 0.000 -3.141) 3.165 86.151 ( 1.474 0.000 8.603) 8.729 86.344 ( -3.298 0.000 4.498) 5.578 88.520 ( 13.059 0.000 24.817) 28.044 89.807 ( -18.062 0.000 -16.936) 24.760 ======================= Grid point 342 (111/162) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 8.814 0.000 11.350) 14.371 2.982 ( 14.066 0.000 17.395) 22.370 3.241 ( -23.915 0.000 1.719) 23.976 3.286 ( -16.316 0.000 8.402) 18.352 4.666 ( 9.774 0.000 -1.649) 9.912 4.832 ( -7.034 0.000 -5.580) 8.978 5.318 ( 17.251 0.000 25.378) 30.686 5.541 ( -3.724 0.000 14.260) 14.738 6.564 ( 11.966 0.000 9.922) 15.544 6.806 ( -9.388 0.000 4.707) 10.502 7.776 ( 7.063 0.000 -1.373) 7.195 7.919 ( -4.852 0.000 -5.249) 7.148 8.377 ( 0.724 0.000 -0.347) 0.803 8.393 ( -0.761 0.000 -0.837) 1.131 9.126 ( 0.308 0.000 0.024) 0.309 9.131 ( -0.269 0.000 -0.150) 0.309 9.287 ( -3.171 0.000 -10.807) 11.263 9.335 ( -6.200 0.000 -12.381) 13.846 10.411 ( 7.604 0.000 8.714) 11.565 10.529 ( -3.771 0.000 4.550) 5.910 11.276 ( 5.105 0.000 5.905) 7.806 11.386 ( -4.904 0.000 7.860) 9.264 11.961 ( 9.952 0.000 -11.031) 14.857 12.094 ( 0.257 0.000 0.030) 0.259 12.097 ( -0.027 0.000 -0.084) 0.088 12.152 ( -8.220 0.000 -14.292) 16.487 12.180 ( -0.092 0.000 -0.211) 0.230 12.180 ( -0.136 0.000 -0.234) 0.271 14.409 ( 4.734 0.000 -0.881) 4.816 14.494 ( -2.962 0.000 -1.560) 3.348 15.177 ( 12.766 0.000 2.934) 13.099 15.534 ( -22.230 0.000 -5.031) 22.792 18.478 ( 12.629 0.000 0.733) 12.650 18.618 ( 23.343 0.000 3.981) 23.680 18.731 ( -11.238 0.000 4.058) 11.949 19.035 ( -17.313 0.000 0.473) 17.320 27.870 ( 0.842 0.000 9.767) 9.803 27.887 ( -0.868 0.000 9.401) 9.441 28.440 ( 0.404 0.000 -8.297) 8.307 28.448 ( -0.378 0.000 -8.726) 8.735 30.277 ( 7.302 0.000 1.372) 7.430 30.418 ( -6.604 0.000 -3.022) 7.263 32.060 ( 0.899 0.000 -2.791) 2.933 32.078 ( -0.811 0.000 -2.981) 3.089 86.195 ( 3.059 0.000 8.343) 8.886 86.267 ( -4.120 0.000 6.990) 8.113 88.876 ( 22.499 0.000 13.245) 26.108 89.360 ( -25.538 0.000 -1.981) 25.614 ======================= Grid point 345 (112/162) ======================= q-point: ( 0.00 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 0.000 8.048 28.399) 29.517 3.055 ( 0.000 33.233 24.854) 41.499 4.044 ( 0.000 26.529 -9.159) 28.066 4.077 ( 0.000 3.174 -0.467) 3.208 4.520 ( 0.000 12.800 16.074) 20.548 4.909 ( 0.000 19.898 28.221) 34.531 5.138 ( 0.000 12.860 -4.310) 13.563 5.365 ( 0.000 18.256 1.085) 18.288 6.514 ( 0.000 3.234 -1.500) 3.565 6.842 ( 0.000 3.241 -8.120) 8.743 7.732 ( 0.000 -6.749 4.778) 8.269 7.776 ( 0.000 -1.545 -6.986) 7.155 8.558 ( 0.000 17.939 0.670) 17.951 8.566 ( 0.000 13.659 2.836) 13.951 9.145 ( 0.000 1.291 -2.959) 3.228 9.166 ( 0.000 4.567 0.194) 4.571 9.478 ( 0.000 2.995 -2.194) 3.713 9.772 ( 0.000 7.591 -8.782) 11.609 10.120 ( 0.000 -2.282 14.901) 15.075 10.499 ( 0.000 -3.878 -2.303) 4.510 11.168 ( 0.000 -4.545 -0.640) 4.590 11.312 ( 0.000 -10.826 -4.473) 11.713 11.714 ( 0.000 -3.172 4.344) 5.379 11.985 ( 0.000 -6.771 -0.909) 6.832 12.179 ( 0.000 8.343 -0.176) 8.344 12.261 ( 0.000 10.134 -3.506) 10.723 12.330 ( 0.000 13.383 -0.368) 13.388 12.544 ( 0.000 18.790 -12.073) 22.334 14.262 ( 0.000 -1.913 -2.477) 3.130 14.434 ( 0.000 -2.199 -6.038) 6.426 15.004 ( 0.000 -9.189 18.700) 20.836 16.112 ( 0.000 -13.409 -13.361) 18.929 17.827 ( 0.000 -4.145 16.213) 16.735 18.116 ( 0.000 -6.280 1.125) 6.379 18.908 ( 0.000 -9.190 -0.099) 9.191 19.225 ( 0.000 -14.055 -7.668) 16.011 27.925 ( 0.000 7.340 9.848) 12.282 28.020 ( 0.000 10.846 7.343) 13.098 28.483 ( 0.000 5.301 -7.105) 8.865 28.505 ( 0.000 4.986 -8.816) 10.128 30.123 ( 0.000 2.269 8.300) 8.604 30.559 ( 0.000 -0.006 -5.922) 5.922 32.010 ( 0.000 -3.104 -2.673) 4.096 32.064 ( 0.000 -2.901 -3.169) 4.296 86.121 ( 0.000 -1.613 8.070) 8.229 86.336 ( 0.000 -4.243 3.258) 5.349 88.281 ( 0.000 -10.778 28.002) 30.005 89.711 ( 0.000 -27.485 -17.469) 32.567 ======================= Grid point 346 (113/162) ======================= q-point: ( 0.20 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -5.248 7.445 22.700) 24.459 3.132 ( 7.185 32.589 22.625) 40.318 3.721 ( -21.878 8.629 -0.278) 23.520 3.995 ( -14.413 26.854 -2.443) 30.575 4.653 ( 12.891 16.559 8.255) 22.551 5.038 ( 11.482 12.053 24.686) 29.774 5.180 ( 0.660 21.132 -3.243) 21.389 5.490 ( 10.242 8.514 6.256) 14.714 6.481 ( -0.346 3.869 4.015) 5.587 6.894 ( 2.322 3.267 -6.117) 7.313 7.680 ( -1.020 -3.720 2.860) 4.802 7.855 ( 3.782 -4.459 -6.293) 8.590 8.541 ( -1.155 14.742 1.454) 14.858 8.566 ( -0.620 14.474 2.067) 14.634 9.134 ( -0.637 1.363 -3.940) 4.218 9.176 ( 0.579 5.037 -0.933) 5.155 9.443 ( -3.745 3.262 -4.714) 6.847 9.587 ( -12.689 7.303 -5.891) 15.781 10.246 ( 8.621 -0.498 10.163) 13.336 10.524 ( 1.790 -2.773 0.009) 3.301 11.165 ( 0.548 -5.032 1.096) 5.179 11.345 ( 2.059 -8.476 -0.171) 8.724 11.709 ( 0.363 -6.615 1.235) 6.739 11.967 ( -2.050 -7.910 -1.831) 8.374 12.187 ( 0.816 8.775 -0.267) 8.817 12.257 ( -0.606 10.313 -2.508) 10.631 12.352 ( 2.163 14.298 -2.047) 14.605 12.533 ( -1.418 18.651 -11.460) 21.936 14.303 ( 3.479 -2.186 -2.022) 4.580 14.463 ( 2.217 -2.595 -5.192) 6.214 14.984 ( -0.164 -8.623 14.211) 16.623 15.873 ( -20.599 -11.506 -10.095) 25.663 18.071 ( 21.228 -6.343 12.171) 25.279 18.200 ( 8.114 -6.627 1.506) 10.584 18.836 ( -7.068 -8.933 0.259) 11.394 19.149 ( -7.851 -13.519 -5.333) 16.518 27.933 ( 0.791 7.602 9.687) 12.340 28.009 ( -1.017 10.408 7.712) 12.994 28.486 ( 0.225 5.264 -7.268) 8.976 28.503 ( -0.197 5.001 -8.646) 9.990 30.171 ( 4.703 2.012 6.038) 7.914 30.523 ( -3.611 0.179 -5.250) 6.375 32.015 ( 0.550 -3.079 -2.646) 4.097 32.060 ( -0.420 -2.939 -3.113) 4.302 86.133 ( 1.332 -1.745 8.120) 8.411 86.306 ( -2.891 -3.811 4.549) 6.601 88.400 ( 11.817 -11.985 23.884) 29.219 89.547 ( -15.786 -25.231 -11.966) 32.078 ======================= Grid point 347 (114/162) ======================= q-point: ( 0.40 0.06 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 6.683 6.255 12.103) 15.175 3.199 ( -12.543 7.888 7.883) 16.784 3.417 ( 5.344 31.397 11.820) 33.971 3.679 ( -16.195 33.170 7.262) 37.620 4.896 ( 10.806 21.528 -1.332) 24.125 5.066 ( -6.349 21.566 -4.955) 23.021 5.370 ( 14.634 6.387 22.424) 27.528 5.572 ( -3.960 3.934 12.670) 13.845 6.596 ( 11.848 4.357 9.512) 15.806 6.833 ( -9.206 3.570 4.517) 10.858 7.737 ( 6.454 -3.272 -2.102) 7.535 7.861 ( -3.943 -4.408 -5.744) 8.244 8.525 ( -0.227 12.015 1.597) 12.123 8.540 ( -1.592 12.321 1.914) 12.570 9.139 ( 1.629 2.920 -7.225) 7.961 9.176 ( -0.997 5.199 -4.337) 6.844 9.361 ( -2.359 6.009 -6.226) 8.969 9.400 ( -6.070 7.112 -6.978) 11.667 10.407 ( 7.549 -0.254 7.713) 10.796 10.519 ( -3.152 -1.013 4.074) 5.250 11.220 ( 5.129 -5.245 5.183) 8.983 11.328 ( -4.351 -5.445 6.729) 9.688 11.771 ( 6.062 -11.338 -4.665) 13.676 11.896 ( -5.376 -10.554 -3.981) 12.496 12.209 ( 1.327 9.593 -0.611) 9.704 12.236 ( -1.361 10.175 -1.283) 10.346 12.408 ( 3.481 16.569 -5.406) 17.773 12.482 ( -3.628 18.246 -9.098) 20.709 14.381 ( 4.425 -2.725 -0.716) 5.246 14.462 ( -2.970 -3.159 -1.208) 4.501 15.096 ( 12.634 -8.086 2.423) 15.194 15.442 ( -21.332 -9.207 -5.314) 23.834 18.406 ( 12.143 -7.357 0.932) 14.229 18.522 ( 22.254 -9.430 4.122) 24.519 18.649 ( -11.153 -8.314 3.199) 14.273 18.913 ( -16.232 -11.950 0.654) 20.167 27.955 ( 1.356 8.342 9.219) 12.507 27.983 ( -1.490 9.394 8.495) 12.753 28.491 ( 0.341 5.166 -7.690) 9.270 28.498 ( -0.324 5.062 -8.213) 9.653 30.290 ( 6.939 1.384 1.243) 7.184 30.424 ( -6.283 0.689 -2.940) 6.971 32.030 ( 0.916 -3.039 -2.706) 4.171 32.048 ( -0.835 -2.999 -2.923) 4.270 86.173 ( 2.746 -2.175 7.903) 8.645 86.238 ( -3.658 -2.930 6.714) 8.188 88.721 ( 20.235 -15.330 13.656) 28.826 89.153 ( -22.658 -20.231 0.504) 30.379 ======================= Grid point 350 (115/162) ======================= q-point: ( 0.00 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 0.000 15.763 23.936) 28.660 3.642 ( 0.000 20.378 22.726) 30.524 4.277 ( 0.000 14.944 1.572) 15.026 4.573 ( 0.000 21.164 -3.991) 21.537 4.880 ( 0.000 28.732 16.688) 33.227 5.418 ( 0.000 28.247 18.791) 33.926 5.498 ( 0.000 28.131 -2.161) 28.214 5.885 ( 0.000 29.462 -7.751) 30.464 6.692 ( 0.000 17.333 -1.645) 17.411 6.990 ( 0.000 14.008 -5.394) 15.011 7.590 ( 0.000 -6.993 2.969) 7.597 7.741 ( 0.000 -1.861 -7.500) 7.727 8.835 ( 0.000 11.399 9.702) 14.969 8.931 ( 0.000 16.759 2.418) 16.933 9.232 ( 0.000 8.958 -6.657) 11.161 9.268 ( 0.000 4.789 5.406) 7.222 9.596 ( 0.000 10.398 -8.764) 13.599 9.969 ( 0.000 11.865 -8.347) 14.507 10.084 ( 0.000 -0.589 12.875) 12.888 10.389 ( 0.000 -7.152 -1.510) 7.309 11.073 ( 0.000 -4.433 -3.188) 5.460 11.080 ( 0.000 -11.915 -3.265) 12.354 11.641 ( 0.000 -4.304 4.513) 6.236 11.861 ( 0.000 -6.321 0.167) 6.323 12.404 ( 0.000 14.230 -0.631) 14.244 12.511 ( 0.000 14.512 -5.455) 15.503 12.655 ( 0.000 18.847 -0.587) 18.856 12.923 ( 0.000 18.906 -12.089) 22.441 14.215 ( 0.000 -2.737 -1.477) 3.110 14.377 ( 0.000 -3.428 -4.632) 5.762 14.755 ( 0.000 -15.660 15.553) 22.071 15.750 ( 0.000 -22.692 -13.242) 26.273 17.713 ( 0.000 -7.279 12.605) 14.555 17.941 ( 0.000 -11.398 0.373) 11.404 18.653 ( 0.000 -16.489 -0.085) 16.489 18.866 ( 0.000 -21.379 -4.864) 21.925 28.118 ( 0.000 11.768 8.687) 14.627 28.285 ( 0.000 14.982 3.911) 15.484 28.632 ( 0.000 9.642 -4.901) 10.816 28.651 ( 0.000 9.907 -7.280) 12.294 30.192 ( 0.000 4.849 6.715) 8.282 30.565 ( 0.000 0.780 -5.464) 5.519 31.924 ( 0.000 -5.543 -2.225) 5.973 31.984 ( 0.000 -5.151 -3.150) 6.038 86.077 ( 0.000 -2.792 6.763) 7.316 86.226 ( 0.000 -6.711 3.737) 7.681 87.990 ( 0.000 -18.337 24.079) 30.266 89.021 ( 0.000 -40.357 -5.761) 40.766 ======================= Grid point 351 (116/162) ======================= q-point: ( 0.20 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.177 ( -5.960 14.958 19.313) 25.145 3.658 ( -5.399 15.806 13.196) 21.287 4.064 ( -7.281 25.525 10.648) 28.599 4.608 ( -5.196 28.904 2.736) 29.494 5.055 ( 16.738 25.233 8.634) 31.486 5.398 ( 2.747 24.554 15.593) 29.216 5.595 ( 3.781 21.424 0.997) 21.778 5.875 ( -1.324 28.362 -5.034) 28.836 6.686 ( 1.693 19.611 3.919) 20.070 7.046 ( 2.784 14.200 -5.249) 15.393 7.586 ( 1.047 -5.449 1.919) 5.871 7.781 ( 2.548 -2.962 -7.416) 8.382 8.775 ( -5.016 7.786 8.017) 12.250 8.875 ( -5.371 12.902 2.684) 14.231 9.246 ( 1.927 11.148 -7.229) 13.426 9.315 ( 3.574 8.543 3.083) 9.760 9.559 ( -3.415 9.798 -8.997) 13.733 9.765 ( -11.279 10.161 -0.867) 15.206 10.259 ( 8.859 2.421 5.346) 10.627 10.441 ( 4.404 -5.746 -0.219) 7.243 11.045 ( 0.230 -6.966 -0.691) 7.004 11.164 ( 5.049 -8.438 -1.821) 10.001 11.591 ( -3.917 -5.738 3.684) 7.864 11.827 ( -3.613 -6.673 -0.851) 7.635 12.419 ( 1.395 14.403 -0.607) 14.484 12.516 ( -0.020 15.104 -4.053) 15.638 12.673 ( 2.055 17.735 -2.705) 18.057 12.906 ( -2.025 18.467 -11.651) 21.929 14.247 ( 2.821 -3.244 -1.251) 4.477 14.395 ( 1.109 -4.173 -3.563) 5.599 14.751 ( 1.279 -14.488 11.442) 18.505 15.559 ( -16.979 -19.891 -10.640) 28.233 17.903 ( 16.889 -10.401 10.188) 22.299 18.017 ( 7.402 -11.865 0.375) 13.990 18.588 ( -6.399 -16.072 0.233) 17.300 18.803 ( -6.554 -20.683 -3.514) 21.979 28.132 ( 1.386 12.071 8.405) 14.774 28.266 ( -1.814 14.694 4.634) 15.514 28.633 ( 0.138 9.589 -5.118) 10.871 28.648 ( -0.239 9.787 -6.977) 12.022 30.233 ( 4.031 4.414 4.828) 7.684 30.534 ( -3.083 1.132 -4.848) 5.855 31.930 ( 0.604 -5.508 -2.271) 5.988 31.979 ( -0.509 -5.215 -3.047) 6.062 86.086 ( 0.981 -2.987 6.826) 7.515 86.206 ( -1.892 -6.077 4.534) 7.815 88.078 ( 8.806 -20.101 21.165) 30.488 88.909 ( -10.943 -37.673 -2.562) 39.314 ======================= Grid point 352 (117/162) ======================= q-point: ( 0.40 0.12 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 5.056 14.068 10.878) 18.488 3.378 ( -16.490 11.913 4.793) 20.900 4.154 ( 11.423 36.048 17.700) 41.753 4.407 ( -13.093 35.762 11.391) 39.750 5.374 ( 12.518 22.647 -1.226) 25.906 5.493 ( 2.169 21.059 3.370) 21.437 5.627 ( 3.995 18.237 10.074) 21.214 5.792 ( -7.892 22.903 3.624) 24.494 6.810 ( 10.239 19.775 7.766) 23.583 7.005 ( -7.388 16.062 3.183) 17.964 7.668 ( 6.670 -3.579 -3.357) 8.280 7.782 ( -3.323 -3.363 -6.380) 7.941 8.702 ( -0.935 4.790 4.559) 6.678 8.755 ( -5.628 7.257 2.817) 9.606 9.307 ( 3.959 14.222 -10.177) 17.931 9.363 ( -0.142 13.951 -5.702) 15.072 9.506 ( 0.022 8.968 -3.038) 9.469 9.585 ( -7.048 10.839 0.299) 12.932 10.406 ( 6.390 0.190 4.486) 7.810 10.488 ( -1.022 -2.286 2.322) 3.415 11.098 ( 5.135 -6.535 3.483) 9.012 11.201 ( -3.065 -6.685 4.017) 8.380 11.579 ( 4.647 -8.357 -1.542) 9.686 11.718 ( -7.328 -7.855 -2.495) 11.028 12.455 ( 2.160 14.971 -0.683) 15.142 12.497 ( -1.847 15.622 -1.496) 15.802 12.740 ( 4.687 16.677 -7.083) 18.715 12.838 ( -4.698 17.427 -10.072) 20.669 14.310 ( 3.522 -4.262 -0.271) 5.535 14.378 ( -2.917 -5.182 -0.200) 5.950 14.879 ( 12.153 -13.416 1.058) 18.133 15.191 ( -18.664 -15.763 -5.916) 25.136 18.198 ( 11.205 -13.652 2.155) 17.792 18.279 ( 18.780 -14.576 3.029) 23.965 18.417 ( -10.507 -15.023 1.696) 18.411 18.605 ( -13.640 -18.498 0.145) 22.984 28.170 ( 2.398 12.878 7.551) 15.120 28.221 ( -2.655 13.893 6.166) 15.430 28.637 ( 0.251 9.528 -5.653) 11.081 28.642 ( -0.309 9.594 -6.326) 11.496 30.335 ( 5.940 3.332 0.796) 6.857 30.449 ( -5.372 2.083 -2.795) 6.404 31.946 ( 0.975 -5.434 -2.458) 6.043 31.965 ( -0.915 -5.337 -2.771) 6.083 86.115 ( 1.968 -3.629 6.719) 7.886 86.160 ( -2.510 -4.763 5.931) 8.010 88.317 ( 14.920 -24.864 13.958) 32.182 88.631 ( -16.234 -31.432 5.140) 35.748 ======================= Grid point 355 (118/162) ======================= q-point: ( 0.00 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( 0.000 21.827 18.430) 28.567 3.904 ( 0.000 9.777 18.916) 21.293 4.527 ( 0.000 11.202 7.421) 13.437 4.817 ( 0.000 6.523 -1.442) 6.680 5.430 ( 0.000 16.418 7.566) 18.078 6.050 ( 0.000 16.531 -8.110) 18.413 6.082 ( 0.000 45.266 12.266) 46.899 6.490 ( 0.000 38.339 -5.893) 38.789 7.207 ( 0.000 32.062 3.211) 32.223 7.319 ( 0.000 6.063 5.239) 8.013 7.584 ( 0.000 17.590 -7.194) 19.004 7.716 ( 0.000 -0.029 -8.188) 8.188 9.032 ( 0.000 12.245 9.295) 15.373 9.118 ( 0.000 1.082 -1.111) 1.551 9.361 ( 0.000 7.317 14.203) 15.977 9.449 ( 0.000 9.794 -3.309) 10.338 9.887 ( 0.000 17.522 -10.910) 20.641 10.112 ( 0.000 3.388 9.191) 9.796 10.193 ( 0.000 5.473 -11.724) 12.938 10.261 ( 0.000 0.516 3.323) 3.362 10.874 ( 0.000 -8.544 -2.701) 8.961 11.015 ( 0.000 -1.239 -7.097) 7.205 11.541 ( 0.000 -5.984 4.480) 7.475 11.729 ( 0.000 -7.208 0.569) 7.231 12.709 ( 0.000 16.318 -1.434) 16.381 12.795 ( 0.000 13.875 -4.879) 14.707 13.030 ( 0.000 18.644 -1.329) 18.691 13.243 ( 0.000 12.900 -10.317) 16.518 14.164 ( 0.000 -2.348 -0.256) 2.362 14.311 ( 0.000 -3.132 -2.307) 3.890 14.433 ( 0.000 -15.827 10.851) 19.189 15.273 ( 0.000 -24.766 -13.240) 28.083 17.550 ( 0.000 -9.328 7.839) 12.185 17.681 ( 0.000 -14.970 -0.047) 14.970 18.284 ( 0.000 -20.722 0.182) 20.723 18.435 ( 0.000 -21.916 -3.659) 22.220 28.361 ( 0.000 12.698 6.557) 14.291 28.560 ( 0.000 12.551 0.238) 12.553 28.846 ( 0.000 11.853 -1.431) 11.939 28.887 ( 0.000 13.782 -3.953) 14.338 30.314 ( 0.000 7.706 4.440) 8.894 30.596 ( 0.000 2.595 -4.861) 5.510 31.801 ( 0.000 -6.818 -1.573) 6.997 31.871 ( 0.000 -6.246 -3.105) 6.975 86.016 ( 0.000 -3.269 5.032) 6.001 86.090 ( 0.000 -6.820 3.850) 7.831 87.595 ( 0.000 -21.358 18.772) 28.435 88.224 ( 0.000 -39.759 2.296) 39.826 ======================= Grid point 356 (119/162) ======================= q-point: ( 0.20 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( -6.611 19.952 15.308) 26.002 3.917 ( -7.365 13.273 7.792) 17.062 4.441 ( 3.170 13.289 18.207) 22.762 4.969 ( 5.330 9.172 2.511) 10.901 5.453 ( 4.280 10.975 7.088) 13.747 5.990 ( -5.775 14.616 -6.070) 16.847 6.118 ( 4.287 47.070 11.448) 48.632 6.495 ( -0.730 38.060 -7.101) 38.723 7.233 ( 3.404 29.198 8.683) 30.652 7.416 ( 7.787 12.071 -1.746) 14.470 7.549 ( -2.171 12.132 -5.344) 13.433 7.759 ( 2.700 3.022 -8.331) 9.265 8.900 ( -9.545 7.785 8.427) 14.924 9.014 ( -9.282 2.488 0.473) 9.621 9.445 ( 6.816 7.150 10.792) 14.631 9.524 ( 5.835 12.777 -2.774) 14.317 9.837 ( -4.632 16.491 -9.898) 19.783 9.965 ( -8.342 10.279 3.085) 13.593 10.295 ( 4.253 -5.759 1.004) 7.229 10.363 ( 8.073 5.110 -4.022) 10.367 10.900 ( 2.717 -6.836 -1.386) 7.485 11.064 ( 4.525 -1.708 -5.042) 6.987 11.475 ( -5.355 -6.246 4.349) 9.306 11.698 ( -3.557 -6.585 -0.555) 7.505 12.725 ( 1.512 16.255 -1.370) 16.382 12.808 ( 1.053 13.956 -4.438) 14.683 13.017 ( -0.868 16.775 -2.397) 16.967 13.216 ( -2.909 12.470 -10.014) 16.256 14.186 ( 1.927 -2.821 -0.274) 3.427 14.307 ( -0.875 -4.915 -0.177) 4.995 14.462 ( 4.042 -13.323 6.492) 15.362 15.139 ( -12.280 -21.874 -10.993) 27.388 17.680 ( 11.507 -12.337 6.840) 18.204 17.749 ( 6.977 -15.182 -0.265) 16.711 18.228 ( -5.513 -20.229 0.376) 20.970 18.385 ( -5.187 -21.299 -3.227) 22.158 28.380 ( 1.820 12.830 6.143) 14.341 28.541 ( -1.880 12.798 1.064) 12.979 28.847 ( 0.112 11.868 -1.652) 11.983 28.879 ( -0.749 13.346 -3.556) 13.832 30.346 ( 3.114 7.195 3.043) 8.410 30.574 ( -2.273 3.069 -4.352) 5.790 31.808 ( 0.670 -6.783 -1.705) 7.026 31.864 ( -0.645 -6.334 -2.948) 7.016 86.022 ( 0.592 -3.439 5.112) 6.190 86.082 ( -0.768 -6.245 4.163) 7.544 87.649 ( 5.432 -23.004 17.081) 29.162 88.157 ( -6.493 -37.777 3.863) 38.526 ======================= Grid point 357 (120/162) ======================= q-point: ( 0.40 0.19 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.487 ( 3.624 19.420 9.042) 21.727 3.664 ( -13.470 17.033 4.028) 22.086 4.649 ( 13.905 15.343 21.402) 29.780 4.901 ( -10.304 14.500 13.820) 22.526 5.627 ( 11.426 5.624 1.864) 12.871 5.838 ( -9.544 9.646 -2.271) 13.759 6.254 ( 8.916 45.390 5.754) 46.614 6.421 ( -6.883 40.576 -2.593) 41.237 7.336 ( 6.323 25.864 6.303) 27.362 7.446 ( -4.287 22.064 -0.472) 22.482 7.633 ( 9.022 4.967 -5.829) 11.834 7.764 ( -3.186 5.322 -7.490) 9.725 8.766 ( -2.219 4.145 5.666) 7.363 8.831 ( -7.833 2.160 2.345) 8.457 9.584 ( 7.005 10.179 3.865) 12.947 9.645 ( 5.698 14.943 -1.656) 16.078 9.731 ( -5.050 12.901 -4.449) 14.551 9.807 ( -7.813 12.385 1.570) 14.727 10.390 ( 4.863 -3.022 -0.544) 5.751 10.448 ( 0.095 -0.480 -3.075) 3.114 10.989 ( 6.363 -3.931 1.741) 7.679 11.107 ( -3.125 -2.259 1.036) 3.992 11.438 ( 4.332 -6.280 -0.421) 7.641 11.584 ( -7.846 -5.938 -2.118) 10.065 12.766 ( 2.535 16.109 -1.289) 16.358 12.811 ( -1.393 15.584 -2.209) 15.801 13.032 ( 3.281 12.658 -6.160) 14.455 13.129 ( -5.544 11.642 -8.842) 15.635 14.228 ( 2.214 -3.868 0.267) 4.465 14.272 ( -2.299 -5.318 1.137) 5.904 14.611 ( 10.799 -12.770 -0.568) 16.734 14.863 ( -14.387 -16.620 -6.227) 22.847 17.889 ( 9.800 -17.452 3.265) 20.280 17.975 ( 13.803 -16.435 2.150) 21.570 18.082 ( -8.669 -18.590 -0.284) 20.514 18.229 ( -10.668 -19.270 -1.982) 22.115 28.429 ( 3.024 13.088 4.904) 14.300 28.491 ( -3.081 13.131 2.990) 13.815 28.851 ( 0.393 12.021 -2.175) 12.222 28.863 ( -0.751 12.534 -2.825) 12.870 30.424 ( 4.527 5.888 0.031) 7.427 30.511 ( -4.023 4.317 -2.718) 6.497 31.825 ( 1.082 -6.683 -2.069) 7.079 31.847 ( -1.066 -6.519 -2.547) 7.080 86.039 ( 1.091 -4.006 5.127) 6.597 86.062 ( -1.200 -5.038 4.769) 7.040 87.797 ( 9.233 -27.330 12.864) 31.586 87.990 ( -9.883 -32.904 7.883) 35.249 ======================= Grid point 360 (121/162) ======================= q-point: ( 0.00 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.075 ( 0.000 8.109 16.305) 18.210 4.111 ( 0.000 25.508 13.010) 28.634 4.753 ( 0.000 12.228 5.936) 13.593 4.900 ( 0.000 2.782 -3.232) 4.264 5.563 ( 0.000 1.198 1.363) 1.815 6.158 ( 0.000 -1.376 -13.290) 13.361 7.037 ( 0.000 46.916 9.393) 47.847 7.038 ( 0.000 0.997 12.264) 12.305 7.527 ( 0.000 33.411 -6.938) 34.124 7.625 ( 0.000 4.094 -3.781) 5.573 7.891 ( 0.000 20.846 3.982) 21.223 8.012 ( 0.000 16.395 -5.165) 17.189 9.032 ( 0.000 -7.174 -3.102) 7.816 9.426 ( 0.000 22.109 14.739) 26.572 9.517 ( 0.000 3.342 -12.014) 12.470 9.573 ( 0.000 12.615 15.306) 19.834 10.163 ( 0.000 7.451 0.970) 7.514 10.177 ( 0.000 1.924 -0.280) 1.944 10.275 ( 0.000 17.223 -5.858) 18.192 10.462 ( 0.000 11.257 -4.820) 12.245 10.771 ( 0.000 -1.642 -1.854) 2.476 11.031 ( 0.000 2.900 -11.607) 11.964 11.409 ( 0.000 -7.405 4.553) 8.693 11.587 ( 0.000 -6.941 0.326) 6.949 13.015 ( 0.000 14.446 -2.085) 14.595 13.029 ( 0.000 9.498 -0.679) 9.522 13.346 ( 0.000 12.883 -3.279) 13.294 13.397 ( 0.000 2.978 -8.263) 8.783 14.112 ( 0.000 -3.494 2.962) 4.581 14.216 ( 0.000 -4.408 3.902) 5.887 14.266 ( 0.000 -1.056 0.469) 1.155 14.840 ( 0.000 -18.216 -12.450) 22.064 17.352 ( 0.000 -10.897 3.157) 11.346 17.367 ( 0.000 -16.938 0.109) 16.938 17.864 ( 0.000 -21.881 1.015) 21.905 18.029 ( 0.000 -19.495 -4.116) 19.924 28.601 ( 0.000 11.655 4.280) 12.416 28.773 ( 0.000 9.533 -1.547) 9.658 29.074 ( 0.000 10.985 1.827) 11.136 29.155 ( 0.000 12.834 -1.103) 12.881 30.490 ( 0.000 10.239 2.072) 10.446 30.669 ( 0.000 4.886 -4.098) 6.377 31.666 ( 0.000 -6.751 -0.777) 6.796 31.749 ( 0.000 -6.013 -2.973) 6.707 85.954 ( 0.000 -2.981 3.333) 4.471 85.971 ( 0.000 -5.133 3.355) 6.132 87.181 ( 0.000 -20.565 13.267) 24.474 87.508 ( 0.000 -33.071 5.224) 33.481 ======================= Grid point 361 (122/162) ======================= q-point: ( 0.20 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.916 ( -5.875 18.737 12.014) 23.020 4.212 ( -3.495 17.682 6.147) 19.043 4.664 ( 3.209 10.765 14.022) 17.967 5.071 ( 7.532 2.963 -0.103) 8.094 5.544 ( 0.254 0.742 3.322) 3.413 6.104 ( -6.098 -0.116 -8.919) 10.805 7.074 ( 4.082 42.400 7.877) 43.318 7.111 ( 6.395 9.325 4.659) 12.229 7.469 ( -3.135 23.453 -1.117) 23.688 7.657 ( -0.378 5.266 -7.979) 9.567 7.949 ( 5.521 26.003 3.224) 26.777 8.023 ( 1.536 13.954 -6.325) 15.397 8.922 ( -7.672 -6.545 1.751) 10.235 9.257 ( -13.315 23.179 11.975) 29.291 9.592 ( 7.902 3.898 2.791) 9.243 9.733 ( 9.807 12.883 2.360) 16.362 10.076 ( -6.998 7.132 3.211) 10.495 10.193 ( -1.624 8.246 -1.216) 8.492 10.257 ( 1.058 11.029 -7.403) 13.325 10.495 ( 1.297 7.313 -7.829) 10.791 10.825 ( 5.286 -0.302 -0.619) 5.330 11.083 ( 4.951 3.333 -8.881) 10.700 11.345 ( -5.126 -6.946 4.546) 9.757 11.574 ( -2.100 -5.907 -1.191) 6.381 13.025 ( 0.662 12.702 -1.006) 12.759 13.038 ( 1.394 10.295 -1.869) 10.555 13.292 ( -4.308 10.140 -4.000) 11.721 13.374 ( -3.120 4.498 -7.480) 9.269 14.130 ( 1.628 -3.338 2.315) 4.376 14.207 ( -0.726 -3.152 2.447) 4.056 14.311 ( 4.267 -2.510 0.933) 5.037 14.761 ( -7.341 -15.516 -10.264) 20.000 17.403 ( 4.932 -16.594 2.521) 17.494 17.458 ( 8.529 -13.717 0.525) 16.161 17.819 ( -4.372 -21.230 0.807) 21.691 17.990 ( -4.084 -19.036 -4.182) 19.914 28.620 ( 1.861 11.600 3.817) 12.353 28.761 ( -1.298 9.875 -0.960) 10.006 29.076 ( 0.204 11.026 1.632) 11.148 29.139 ( -1.472 12.532 -0.584) 12.631 30.513 ( 2.125 9.732 1.180) 10.031 30.657 ( -1.300 5.410 -3.731) 6.699 31.674 ( 0.738 -6.723 -0.993) 6.835 31.741 ( -0.829 -6.125 -2.767) 6.772 85.957 ( 0.321 -3.103 3.457) 4.656 85.973 ( 0.122 -4.693 3.330) 5.756 87.207 ( 2.655 -21.790 12.454) 25.238 87.472 ( -3.492 -31.876 5.949) 32.613 ======================= Grid point 362 (123/162) ======================= q-point: ( 0.40 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.888 ( 3.149 20.882 7.061) 22.267 4.029 ( -10.481 20.077 3.009) 22.847 4.860 ( 12.480 8.388 17.040) 22.726 5.068 ( -7.266 4.836 9.244) 12.713 5.665 ( 11.556 -0.591 1.073) 11.621 5.916 ( -12.428 -0.022 -2.520) 12.681 7.173 ( 5.102 44.458 3.092) 44.857 7.222 ( 1.978 29.026 -3.567) 29.311 7.458 ( 3.516 4.607 2.051) 6.147 7.580 ( -6.581 0.737 -4.851) 8.209 8.049 ( 3.602 19.176 -6.716) 20.634 8.071 ( 1.870 17.075 -6.389) 18.327 8.844 ( 1.648 2.506 10.762) 11.172 8.994 ( -12.190 16.294 14.412) 24.936 9.751 ( 8.292 7.889 4.636) 12.349 9.907 ( -1.268 8.092 2.933) 8.700 9.934 ( 1.887 13.583 0.009) 13.713 10.088 ( -7.413 15.328 -2.897) 17.271 10.350 ( 6.434 1.705 -8.306) 10.644 10.465 ( -4.387 2.648 -9.782) 11.043 10.961 ( 8.042 0.789 1.539) 8.226 11.110 ( -5.478 1.673 0.774) 5.780 11.334 ( 6.664 -4.020 -2.761) 8.258 11.486 ( -6.818 -3.895 -3.428) 8.568 13.049 ( 1.895 11.127 -0.688) 11.308 13.071 ( 0.795 11.073 -1.680) 11.228 13.225 ( -0.911 7.260 -5.256) 9.009 13.282 ( -5.269 4.949 -6.701) 9.857 14.164 ( 1.589 -2.788 1.398) 3.500 14.190 ( -1.061 -2.534 1.425) 3.095 14.428 ( 7.476 -5.351 -1.158) 9.267 14.592 ( -9.023 -10.086 -5.540) 14.623 17.530 ( 7.467 -19.094 3.177) 20.747 17.633 ( 4.016 -18.873 3.782) 19.663 17.726 ( -0.516 -17.046 -3.698) 17.450 17.869 ( -8.085 -17.480 -4.236) 19.720 28.668 ( 2.864 11.324 2.481) 11.941 28.723 ( -2.519 10.663 0.618) 10.974 29.084 ( 0.772 11.252 1.124) 11.335 29.107 ( -1.540 11.829 0.372) 11.935 30.565 ( 2.951 8.411 -0.768) 8.947 30.619 ( -2.453 6.764 -2.597) 7.650 31.694 ( 1.237 -6.606 -1.550) 6.897 31.719 ( -1.293 -6.377 -2.227) 6.878 85.965 ( 0.475 -3.362 3.535) 4.902 85.973 ( -0.204 -3.913 3.420) 5.201 87.281 ( 4.747 -24.945 10.366) 27.427 87.383 ( -5.260 -28.777 7.884) 30.297 ======================= Grid point 365 (124/162) ======================= q-point: ( 0.00 0.31 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.227 ( 0.000 7.635 11.749) 14.012 4.624 ( 0.000 26.546 8.583) 27.899 4.941 ( 0.000 1.689 -6.854) 7.059 5.001 ( 0.000 12.691 3.790) 13.244 5.550 ( 0.000 -1.571 -3.575) 3.905 6.050 ( 0.000 -9.534 -16.793) 19.310 6.891 ( 0.000 -10.209 15.341) 18.428 7.624 ( 0.000 -1.213 -4.649) 4.805 7.755 ( 0.000 21.422 8.979) 23.227 8.112 ( 0.000 10.753 1.047) 10.804 8.206 ( 0.000 10.369 9.611) 14.138 8.298 ( 0.000 23.516 -7.202) 24.594 8.934 ( 0.000 -0.055 -8.323) 8.323 9.318 ( 0.000 -9.673 -3.131) 10.167 9.775 ( 0.000 7.539 15.331) 17.084 10.050 ( 0.000 18.896 5.241) 19.609 10.309 ( 0.000 16.474 -3.934) 16.938 10.317 ( 0.000 8.736 0.889) 8.782 10.668 ( 0.000 10.783 -4.046) 11.517 10.692 ( 0.000 22.369 -9.761) 24.406 10.802 ( 0.000 5.860 0.048) 5.860 11.126 ( 0.000 6.387 -15.790) 17.032 11.269 ( 0.000 -5.953 4.827) 7.664 11.479 ( 0.000 -3.580 -1.225) 3.784 13.144 ( 0.000 2.695 4.817) 5.519 13.259 ( 0.000 10.347 -2.256) 10.590 13.439 ( 0.000 3.905 -9.162) 9.960 13.515 ( 0.000 4.999 -6.165) 7.937 14.072 ( 0.000 -0.020 6.782) 6.782 14.213 ( 0.000 2.117 0.147) 2.122 14.286 ( 0.000 3.328 2.427) 4.119 14.594 ( 0.000 -7.121 -9.404) 11.796 17.033 ( 0.000 -16.873 0.586) 16.883 17.125 ( 0.000 -12.299 -0.417) 12.306 17.443 ( 0.000 -20.977 2.372) 21.110 17.668 ( 0.000 -17.848 -4.870) 18.500 28.814 ( 0.000 10.131 2.626) 10.466 28.938 ( 0.000 7.425 -1.460) 7.567 29.257 ( 0.000 7.496 3.470) 8.261 29.363 ( 0.000 8.071 0.180) 8.073 30.706 ( 0.000 11.554 0.225) 11.556 30.784 ( 0.000 6.745 -3.007) 7.385 31.544 ( 0.000 -5.698 0.110) 5.699 31.642 ( 0.000 -4.935 -2.682) 5.617 85.895 ( 0.000 -2.578 2.469) 3.570 85.904 ( 0.000 -1.990 2.031) 2.843 86.807 ( 0.000 -17.531 8.442) 19.457 86.941 ( 0.000 -24.957 5.154) 25.484 ======================= Grid point 366 (125/162) ======================= q-point: ( 0.20 0.31 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.219 ( 0.376 12.543 9.244) 15.585 4.616 ( -6.017 22.573 1.611) 23.416 4.877 ( 3.852 10.918 7.879) 14.004 5.120 ( 4.972 2.754 -1.856) 5.979 5.530 ( -0.043 -1.612 -1.445) 2.165 6.039 ( -3.272 -6.054 -11.715) 13.586 6.966 ( 8.280 -11.740 8.815) 16.855 7.582 ( -4.283 -3.203 -5.339) 7.557 7.780 ( 2.523 20.989 8.646) 22.840 8.069 ( -3.048 15.615 1.786) 16.009 8.232 ( 0.176 9.840 -0.359) 9.848 8.353 ( 3.912 18.225 -3.822) 19.028 8.811 ( -4.674 -0.317 0.943) 4.779 9.463 ( 3.570 -5.055 8.117) 10.207 9.683 ( -2.235 9.881 3.918) 10.862 10.119 ( 5.700 16.006 4.634) 17.612 10.206 ( -6.840 8.836 1.289) 11.247 10.336 ( -0.351 11.603 -3.833) 12.225 10.646 ( -2.204 20.207 -11.735) 23.471 10.682 ( -1.658 16.458 -6.910) 17.927 10.869 ( 5.659 4.066 0.804) 7.014 11.177 ( 5.196 4.015 -12.424) 14.052 11.222 ( -4.102 -3.115 4.240) 6.672 11.484 ( -0.246 -2.719 -3.266) 4.257 13.141 ( 0.077 3.047 4.369) 5.327 13.261 ( 0.065 9.255 -1.617) 9.396 13.397 ( -3.602 4.649 -7.920) 9.865 13.478 ( -3.472 5.427 -6.219) 8.954 14.089 ( 1.676 -0.330 5.809) 6.055 14.202 ( -1.080 1.544 0.530) 1.957 14.319 ( 3.082 2.897 1.547) 4.503 14.559 ( -3.280 -5.423 -7.642) 9.928 17.065 ( 3.395 -17.271 1.666) 17.681 17.191 ( 5.715 -13.979 -0.700) 15.118 17.414 ( -2.544 -19.976 1.395) 20.186 17.636 ( -3.253 -17.484 -5.090) 18.498 28.831 ( 1.632 9.995 2.238) 10.371 28.932 ( -0.654 7.763 -1.116) 7.870 29.259 ( 0.239 7.451 3.261) 8.136 29.343 ( -1.853 7.966 0.689) 8.208 30.719 ( 1.215 11.133 -0.217) 11.202 30.781 ( -0.311 7.239 -2.789) 7.764 31.551 ( 0.785 -5.699 -0.182) 5.755 31.631 ( -1.056 -5.063 -2.440) 5.719 85.901 ( 0.538 -2.288 2.431) 3.382 85.910 ( 0.435 -1.966 2.033) 2.861 86.813 ( 0.715 -18.349 8.144) 20.088 86.922 ( -1.785 -24.363 5.464) 25.032 ======================= Grid point 367 (126/162) ======================= q-point: ( 0.40 0.31 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.275 ( 5.648 18.274 5.010) 19.772 4.433 ( -9.903 20.587 1.115) 22.872 5.024 ( 7.749 8.942 9.059) 14.902 5.136 ( -3.247 2.731 2.459) 4.904 5.633 ( 10.768 -2.163 -0.409) 10.991 5.880 ( -12.161 -2.880 -3.009) 12.854 7.201 ( 14.110 -11.442 -2.298) 18.311 7.447 ( -9.898 -7.390 -6.006) 13.735 7.856 ( 5.290 19.573 6.723) 21.361 7.977 ( -6.315 18.319 3.959) 19.777 8.252 ( 2.631 10.244 -6.263) 12.292 8.331 ( -4.686 9.396 -9.307) 14.030 8.922 ( 14.215 6.921 16.316) 22.720 9.250 ( -17.239 7.762 19.811) 27.385 9.848 ( 11.422 2.298 -3.157) 12.070 10.048 ( -9.099 4.753 1.660) 10.399 10.244 ( 6.380 14.112 0.425) 15.493 10.328 ( -1.431 9.556 -4.113) 10.501 10.594 ( -1.237 22.843 -11.902) 25.787 10.629 ( -3.524 16.714 -12.811) 21.352 10.991 ( 6.547 1.816 2.458) 7.225 11.116 ( -6.050 -1.536 4.086) 7.460 11.318 ( 7.686 2.924 -9.488) 12.556 11.442 ( -4.399 -0.358 -6.660) 7.990 13.164 ( 2.533 3.381 2.844) 5.092 13.233 ( -3.564 4.550 0.512) 5.803 13.353 ( 0.521 7.979 -6.522) 10.319 13.402 ( -3.716 7.392 -6.058) 10.254 14.130 ( 2.277 -0.439 3.718) 4.382 14.172 ( -1.929 0.356 1.748) 2.627 14.394 ( 4.309 1.112 -0.698) 4.505 14.481 ( -4.416 -1.980 -3.987) 6.271 17.158 ( 5.604 -18.616 3.131) 19.692 17.253 ( -2.430 -19.273 3.599) 19.757 17.414 ( 5.067 -15.496 -4.619) 16.945 17.542 ( -6.269 -16.379 -5.422) 18.357 28.871 ( 2.252 9.503 1.178) 9.837 28.910 ( -1.611 8.623 -0.137) 8.773 29.271 ( 1.042 7.448 2.676) 7.983 29.302 ( -2.068 7.678 1.753) 8.142 30.747 ( 1.447 9.994 -1.198) 10.169 30.770 ( -0.895 8.503 -2.155) 8.817 31.574 ( 1.418 -5.612 -0.920) 5.861 31.604 ( -1.587 -5.358 -1.783) 5.866 85.912 ( 0.489 -1.888 2.294) 3.011 85.916 ( 0.121 -1.834 2.116) 2.802 86.837 ( 1.740 -20.400 7.330) 21.747 86.879 ( -2.409 -22.700 6.293) 23.679 ======================= Grid point 370 (127/162) ======================= q-point: ( 0.00 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.386 ( 0.000 9.135 4.681) 10.265 4.953 ( 0.000 1.679 -5.431) 5.684 5.146 ( 0.000 24.212 -0.577) 24.219 5.205 ( 0.000 6.320 2.245) 6.706 5.542 ( 0.000 2.374 -6.995) 7.387 5.788 ( 0.000 -16.885 -17.564) 24.364 6.711 ( 0.000 -7.285 16.694) 18.214 7.504 ( 0.000 -11.762 -3.547) 12.285 7.946 ( 0.000 3.040 10.109) 10.556 8.166 ( 0.000 -0.423 2.554) 2.589 8.305 ( 0.000 0.784 7.143) 7.186 8.625 ( 0.000 3.836 -4.256) 5.730 9.070 ( 0.000 11.084 -9.328) 14.487 9.233 ( 0.000 3.237 -6.783) 7.516 9.907 ( 0.000 6.534 9.531) 11.556 10.144 ( 0.000 -1.137 4.530) 4.670 10.476 ( 0.000 7.222 2.681) 7.703 10.620 ( 0.000 7.475 -0.164) 7.477 10.839 ( 0.000 2.811 2.762) 3.941 10.950 ( 0.000 12.790 -2.980) 13.133 11.171 ( 0.000 2.565 -3.430) 4.284 11.183 ( 0.000 19.971 -11.371) 22.982 11.319 ( 0.000 9.787 -13.841) 16.952 11.457 ( 0.000 0.957 -4.913) 5.005 13.231 ( 0.000 8.461 4.222) 9.456 13.423 ( 0.000 6.867 -2.523) 7.316 13.551 ( 0.000 6.178 -8.190) 10.259 13.598 ( 0.000 4.563 -6.556) 7.988 14.115 ( 0.000 4.999 10.601) 11.721 14.265 ( 0.000 2.884 0.275) 2.897 14.374 ( 0.000 4.299 3.454) 5.515 14.534 ( 0.000 0.323 -5.736) 5.745 16.728 ( 0.000 -13.668 0.872) 13.695 16.876 ( 0.000 -13.072 -2.206) 13.257 17.056 ( 0.000 -18.111 3.377) 18.423 17.322 ( 0.000 -17.682 -4.988) 18.372 28.996 ( 0.000 8.572 1.611) 8.722 29.067 ( 0.000 5.827 -0.641) 5.862 29.361 ( 0.000 3.195 3.420) 4.680 29.464 ( 0.000 2.308 0.422) 2.346 30.926 ( 0.000 7.569 -1.630) 7.743 30.930 ( 0.000 11.087 -0.899) 11.123 31.444 ( 0.000 -4.543 0.927) 4.637 31.554 ( 0.000 -4.247 -2.215) 4.790 85.871 ( 0.000 0.039 1.626) 1.626 85.880 ( 0.000 -0.438 1.333) 1.403 86.502 ( 0.000 -13.522 4.748) 14.332 86.531 ( 0.000 -17.129 3.925) 17.573 ======================= Grid point 371 (128/162) ======================= q-point: ( 0.20 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.439 ( 5.364 10.828 3.756) 12.654 4.967 ( -3.767 8.355 -7.865) 12.077 5.093 ( 0.934 10.464 1.910) 10.678 5.241 ( 1.234 13.239 2.004) 13.447 5.491 ( -0.763 -2.644 -6.364) 6.933 5.891 ( 4.849 -7.729 -12.555) 15.520 6.728 ( 3.626 -11.431 12.269) 17.156 7.432 ( -7.317 -12.978 -4.431) 15.543 7.960 ( 1.622 3.256 8.172) 8.945 8.169 ( -1.145 -0.838 3.324) 3.614 8.326 ( 2.501 0.521 6.350) 6.844 8.573 ( -5.052 1.651 -4.118) 6.724 9.015 ( 1.368 16.267 -2.288) 16.484 9.414 ( 10.154 1.754 -4.295) 11.163 9.827 ( -5.958 5.809 7.745) 11.368 10.171 ( 0.255 -1.972 3.500) 4.026 10.414 ( -3.637 8.573 1.620) 9.452 10.565 ( -3.253 7.676 -2.721) 8.770 10.893 ( 2.808 2.051 2.690) 4.396 10.964 ( -0.053 7.017 -2.346) 7.399 11.113 ( -1.610 15.776 -8.606) 18.043 11.211 ( 0.103 12.554 -7.309) 14.527 11.344 ( 2.573 8.718 -13.556) 16.322 11.476 ( 1.169 1.604 -7.121) 7.393 13.243 ( 1.231 9.194 4.517) 10.317 13.406 ( -2.028 6.878 -1.621) 7.352 13.523 ( -1.752 6.879 -6.887) 9.891 13.586 ( -1.381 5.928 -6.109) 8.623 14.120 ( 0.691 3.864 9.461) 10.243 14.243 ( -2.048 2.386 1.207) 3.368 14.396 ( 1.859 3.738 2.499) 4.866 14.518 ( -1.561 0.528 -4.644) 4.928 16.753 ( 2.586 -13.984 1.662) 14.318 16.913 ( 2.513 -14.148 -1.006) 14.405 17.049 ( 0.090 -17.169 1.177) 17.210 17.297 ( -2.591 -17.376 -5.207) 18.323 29.011 ( 1.368 8.491 1.350) 8.706 29.068 ( 0.036 6.214 -0.477) 6.232 29.360 ( 0.003 2.949 3.229) 4.373 29.443 ( -1.952 2.304 0.823) 3.130 30.932 ( 0.546 8.069 -1.527) 8.231 30.937 ( 0.565 10.775 -1.009) 10.837 31.451 ( 0.722 -4.666 0.580) 4.757 31.541 ( -1.289 -4.362 -1.973) 4.958 85.881 ( 0.912 0.248 1.560) 1.824 85.888 ( 0.757 -0.131 1.311) 1.519 86.496 ( -0.576 -14.096 4.712) 14.874 86.519 ( -1.103 -17.047 4.035) 17.553 ======================= Grid point 372 (129/162) ======================= q-point: ( 0.40 0.38 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.590 ( 9.696 13.965 1.522) 17.069 4.797 ( -10.774 15.740 -1.711) 19.150 5.162 ( 3.583 1.596 -4.557) 6.013 5.224 ( -2.612 8.288 -2.090) 8.938 5.608 ( 11.783 1.132 0.661) 11.856 5.844 ( -9.471 0.739 -1.674) 9.646 6.916 ( 14.702 -17.327 0.005) 22.724 7.218 ( -14.256 -16.263 -5.120) 22.225 8.014 ( 3.886 2.867 5.677) 7.453 8.103 ( -4.767 0.938 3.967) 6.272 8.392 ( 3.734 0.930 3.528) 5.220 8.471 ( -4.589 1.593 -0.361) 4.870 9.156 ( 11.764 15.283 5.970) 20.189 9.406 ( -11.062 10.178 9.533) 17.800 9.854 ( 9.486 -1.541 -2.627) 9.963 10.063 ( -10.003 -2.515 0.984) 10.361 10.436 ( 4.623 8.483 -1.657) 9.802 10.516 ( -2.714 8.549 -4.500) 10.035 10.906 ( 0.017 2.156 -0.638) 2.249 10.935 ( -2.281 2.885 -2.866) 4.663 11.136 ( 2.866 17.572 -7.812) 19.443 11.189 ( -2.127 14.495 -7.099) 16.280 11.413 ( 3.927 5.817 -12.252) 14.119 11.474 ( -1.758 3.208 -10.284) 10.916 13.280 ( 2.575 9.767 3.893) 10.825 13.343 ( -3.727 8.306 1.152) 9.177 13.515 ( 0.959 7.804 -5.312) 9.489 13.549 ( -2.160 7.376 -5.195) 9.277 14.147 ( 2.032 2.311 6.622) 7.302 14.195 ( -2.673 1.859 3.512) 4.789 14.436 ( 2.172 2.249 0.473) 3.162 14.479 ( -2.192 1.078 -2.139) 3.246 16.824 ( 4.309 -14.892 2.864) 15.765 16.904 ( -3.246 -15.779 3.154) 16.416 17.110 ( 5.594 -15.674 -4.586) 17.263 17.221 ( -5.081 -16.538 -5.474) 18.146 29.042 ( 1.548 8.102 0.688) 8.277 29.064 ( -0.590 7.189 -0.013) 7.213 29.368 ( 0.912 2.472 2.668) 3.750 29.399 ( -2.200 2.280 1.760) 3.625 30.943 ( 0.459 9.054 -1.353) 9.166 30.946 ( 0.224 10.098 -1.177) 10.169 31.473 ( 1.530 -4.786 -0.297) 5.033 31.508 ( -1.883 -4.627 -1.278) 5.156 85.899 ( 0.691 0.598 1.409) 1.679 85.902 ( 0.395 0.457 1.304) 1.437 86.487 ( -0.102 -15.447 4.574) 16.110 86.496 ( -0.990 -16.596 4.307) 17.174 ======================= Grid point 375 (130/162) ======================= q-point: ( 0.00 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.599 ( 0.000 12.898 -3.748) 13.431 4.972 ( 0.000 0.098 -9.965) 9.966 5.221 ( 0.000 -2.781 -2.492) 3.734 5.400 ( 0.000 -15.630 -12.539) 20.038 5.591 ( 0.000 13.852 -3.020) 14.177 5.659 ( 0.000 7.545 -4.826) 8.956 6.642 ( 0.000 1.473 13.759) 13.838 7.181 ( 0.000 -19.663 0.881) 19.682 8.000 ( 0.000 3.222 6.713) 7.446 8.134 ( 0.000 -2.623 3.079) 4.045 8.318 ( 0.000 1.873 4.033) 4.446 8.542 ( 0.000 -8.004 -1.796) 8.203 9.261 ( 0.000 7.716 -9.012) 11.864 9.346 ( 0.000 4.569 -9.201) 10.273 10.014 ( 0.000 4.010 6.614) 7.734 10.103 ( 0.000 -2.273 5.469) 5.922 10.597 ( 0.000 5.068 2.877) 5.828 10.686 ( 0.000 0.806 1.468) 1.675 10.885 ( 0.000 2.179 4.236) 4.764 10.986 ( 0.000 -2.694 3.315) 4.272 11.331 ( 0.000 7.611 -9.578) 12.234 11.447 ( 0.000 4.415 -11.428) 12.251 11.497 ( 0.000 5.302 -9.621) 10.986 11.516 ( 0.000 8.178 -15.474) 17.502 13.464 ( 0.000 13.149 0.962) 13.184 13.543 ( 0.000 5.330 -3.155) 6.194 13.636 ( 0.000 2.139 -6.284) 6.638 13.685 ( 0.000 3.284 -4.719) 5.749 14.275 ( 0.000 9.292 9.101) 13.007 14.329 ( 0.000 5.330 3.629) 6.449 14.407 ( 0.000 -0.885 3.661) 3.766 14.574 ( 0.000 1.663 -0.619) 1.774 16.524 ( 0.000 -6.722 0.760) 6.765 16.632 ( 0.000 -11.082 -1.938) 11.250 16.776 ( 0.000 -9.019 2.037) 9.246 16.988 ( 0.000 -15.751 -4.179) 16.296 29.143 ( 0.000 6.091 1.152) 6.199 29.165 ( 0.000 4.072 0.385) 4.090 29.393 ( 0.000 0.560 2.291) 2.358 29.463 ( 0.000 -1.953 0.339) 1.983 31.070 ( 0.000 6.918 -0.444) 6.932 31.122 ( 0.000 7.927 -1.456) 8.059 31.366 ( 0.000 -3.156 1.307) 3.416 31.467 ( 0.000 -4.784 -1.593) 5.042 85.888 ( 0.000 1.171 1.271) 1.728 85.891 ( 0.000 1.643 1.269) 2.076 86.271 ( 0.000 -9.380 2.463) 9.698 86.283 ( 0.000 -8.735 2.338) 9.042 ======================= Grid point 376 (131/162) ======================= q-point: ( 0.20 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.664 ( 6.362 12.489 -3.903) 14.550 5.023 ( 4.605 -0.581 -11.038) 11.974 5.182 ( -4.375 0.801 -2.973) 5.349 5.366 ( -3.179 -9.708 -10.934) 14.963 5.593 ( 3.742 16.502 0.211) 16.922 5.826 ( 12.344 1.461 -6.441) 14.000 6.574 ( -5.730 -2.435 12.211) 13.707 7.089 ( -9.307 -20.584 -0.537) 22.596 8.021 ( 2.082 3.654 6.491) 7.735 8.151 ( 1.090 -0.938 3.099) 3.417 8.311 ( -0.332 -0.440 4.911) 4.941 8.494 ( -4.217 -7.114 -0.481) 8.284 9.284 ( 4.159 10.571 -5.025) 12.422 9.467 ( 9.570 1.384 -8.462) 12.849 9.929 ( -7.643 4.847 7.585) 11.808 10.108 ( -2.038 -4.053 4.327) 6.270 10.558 ( -1.785 6.210 1.296) 6.591 10.654 ( -1.078 2.045 -0.745) 2.428 10.908 ( 0.246 0.086 3.222) 3.232 10.949 ( -3.272 -2.645 2.259) 4.776 11.365 ( 3.022 7.942 -9.889) 13.038 11.450 ( 0.240 6.329 -11.680) 13.286 11.492 ( 0.298 6.030 -12.533) 13.911 11.544 ( 1.398 5.390 -13.605) 14.700 13.479 ( 1.372 12.273 1.670) 12.461 13.550 ( 0.450 7.480 -2.533) 7.910 13.625 ( -0.397 3.063 -5.236) 6.079 13.690 ( -0.018 3.891 -5.027) 6.357 14.254 ( -1.630 9.020 10.138) 13.667 14.294 ( -2.632 3.279 3.601) 5.536 14.424 ( 1.042 -0.531 3.490) 3.681 14.550 ( -2.337 0.929 0.174) 2.521 16.547 ( 2.318 -6.526 1.127) 7.016 16.670 ( 2.859 -10.167 -1.883) 10.728 16.768 ( -0.297 -10.008 0.999) 10.062 16.969 ( -2.059 -15.524 -4.330) 16.248 29.158 ( 1.419 6.285 0.995) 6.519 29.174 ( 0.889 4.572 0.416) 4.676 29.384 ( -0.786 -0.064 2.212) 2.348 29.442 ( -1.985 -1.987 0.584) 2.869 31.083 ( 1.262 7.269 -0.448) 7.391 31.130 ( 0.557 8.377 -1.349) 8.503 31.366 ( 0.149 -3.879 0.999) 4.009 31.452 ( -1.496 -4.894 -1.423) 5.312 85.904 ( 1.509 1.792 1.254) 2.657 85.908 ( 1.594 2.099 1.184) 2.890 86.255 ( -1.473 -9.893 2.511) 10.313 86.266 ( -1.618 -9.293 2.386) 9.730 ======================= Grid point 377 (132/162) ======================= q-point: ( 0.40 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.831 ( 10.097 11.112 -4.312) 15.621 5.029 ( -8.990 8.424 -5.255) 13.394 5.146 ( 5.910 -3.210 -10.069) 12.109 5.272 ( -6.164 -3.953 -10.499) 12.800 5.767 ( 12.545 14.637 3.679) 19.625 5.965 ( -3.042 11.732 -0.168) 12.122 6.554 ( 8.245 -18.388 3.201) 20.405 6.832 ( -15.949 -22.109 -2.113) 27.343 8.078 ( 3.558 4.383 5.562) 7.925 8.142 ( -2.318 3.632 3.795) 5.742 8.331 ( 2.701 -5.528 5.194) 8.052 8.404 ( -4.460 -6.465 2.684) 8.299 9.430 ( 10.153 11.892 0.832) 15.659 9.608 ( -2.081 8.403 1.233) 8.744 9.801 ( 1.842 -2.893 0.825) 3.528 9.977 ( -10.280 -5.875 1.543) 11.941 10.593 ( 4.579 7.274 -1.400) 8.708 10.658 ( -0.372 5.825 -3.054) 6.588 10.865 ( -1.785 -3.816 1.298) 4.408 10.893 ( -3.017 -3.647 0.457) 4.755 11.424 ( 2.424 9.135 -11.237) 14.683 11.451 ( -0.401 9.598 -11.946) 15.329 11.512 ( 1.726 3.497 -13.140) 13.706 11.547 ( -1.200 3.671 -13.407) 13.952 13.512 ( 1.951 11.415 1.734) 11.710 13.545 ( -1.090 10.924 -0.189) 10.980 13.638 ( 1.594 4.189 -4.638) 6.450 13.673 ( -1.621 4.740 -4.633) 6.824 14.234 ( -0.138 6.953 9.072) 11.431 14.249 ( -1.647 4.052 5.840) 7.296 14.446 ( 1.562 -1.738 3.009) 3.810 14.493 ( -3.070 -0.897 1.850) 3.695 16.608 ( 3.656 -6.293 1.453) 7.421 16.674 ( -2.519 -6.665 1.202) 7.226 16.814 ( 4.751 -13.833 -3.524) 15.045 16.907 ( -4.169 -14.885 -4.440) 16.083 29.187 ( 1.166 6.693 0.642) 6.824 29.192 ( 0.635 5.956 0.466) 6.008 29.373 ( 0.103 -1.607 1.923) 2.509 29.397 ( -2.186 -2.178 1.240) 3.326 31.113 ( 1.520 8.178 -0.559) 8.337 31.133 ( -0.402 8.863 -0.948) 8.923 31.379 ( 1.288 -5.050 0.096) 5.212 31.415 ( -2.118 -5.169 -0.870) 5.654 85.936 ( 1.288 3.156 1.124) 3.589 85.939 ( 1.033 3.356 1.063) 3.669 86.227 ( -0.926 -11.064 2.605) 11.405 86.232 ( -1.388 -10.733 2.533) 11.115 ======================= Grid point 380 (133/162) ======================= q-point: ( 0.00 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.870 ( 0.000 -12.578 -11.564) 17.086 4.870 ( 0.000 12.578 -11.563) 17.086 5.184 ( 0.000 -1.863 -5.258) 5.579 5.184 ( 0.000 1.863 -5.258) 5.579 5.749 ( 0.000 -0.383 -3.360) 3.382 5.749 ( 0.000 0.383 -3.360) 3.382 6.813 ( 0.000 -15.734 6.888) 17.176 6.813 ( 0.000 15.734 6.888) 17.176 8.070 ( 0.000 -3.688 4.755) 6.018 8.070 ( 0.000 3.688 4.755) 6.018 8.396 ( 0.000 -6.095 0.526) 6.118 8.396 ( 0.000 6.095 0.526) 6.118 9.364 ( 0.000 -2.561 -9.694) 10.027 9.364 ( 0.000 2.561 -9.694) 10.027 10.066 ( 0.000 -1.761 6.328) 6.569 10.066 ( 0.000 1.762 6.328) 6.569 10.670 ( 0.000 -2.354 2.399) 3.361 10.670 ( 0.000 2.354 2.399) 3.361 10.931 ( 0.000 -2.647 4.097) 4.878 10.931 ( 0.000 2.647 4.097) 4.878 11.432 ( 0.000 -3.181 -10.766) 11.226 11.432 ( 0.000 3.181 -10.766) 11.226 11.587 ( 0.000 -1.021 -13.538) 13.576 11.587 ( 0.000 1.021 -13.538) 13.576 13.613 ( 0.000 -0.920 -5.598) 5.673 13.613 ( 0.000 0.920 -5.598) 5.673 13.679 ( 0.000 -4.133 -0.887) 4.227 13.679 ( 0.000 4.133 -0.887) 4.227 14.364 ( 0.000 -2.979 3.674) 4.730 14.364 ( 0.000 2.979 3.674) 4.730 14.517 ( 0.000 -8.195 5.588) 9.919 14.517 ( 0.000 8.195 5.588) 9.919 16.484 ( 0.000 -3.061 -0.108) 3.063 16.484 ( 0.000 3.061 -0.108) 3.063 16.754 ( 0.000 -6.687 -1.858) 6.940 16.754 ( 0.000 6.687 -1.858) 6.940 29.210 ( 0.000 -0.201 1.129) 1.147 29.210 ( 0.000 0.201 1.129) 1.147 29.414 ( 0.000 -2.203 0.787) 2.339 29.414 ( 0.000 2.203 0.787) 2.339 31.178 ( 0.000 -3.011 -0.386) 3.035 31.178 ( 0.000 3.011 -0.386) 3.035 31.371 ( 0.000 -4.238 -0.372) 4.255 31.371 ( 0.000 4.238 -0.372) 4.255 85.910 ( 0.000 -0.320 1.459) 1.494 85.910 ( 0.000 0.320 1.459) 1.494 86.182 ( 0.000 -0.728 1.470) 1.640 86.182 ( 0.000 0.728 1.470) 1.640 ======================= Grid point 382 (134/162) ======================= q-point: ( 0.20 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.911 ( 4.255 -11.283 -10.826) 16.205 4.911 ( 4.255 11.283 -10.826) 16.205 5.209 ( 0.785 -3.942 -6.683) 7.799 5.209 ( 0.785 3.942 -6.684) 7.799 5.814 ( 7.727 -5.613 -2.081) 9.775 5.814 ( 7.727 5.613 -2.081) 9.775 6.708 ( -10.467 -15.824 5.584) 19.777 6.708 ( -10.467 15.824 5.584) 19.777 8.100 ( 2.980 -4.036 5.002) 7.084 8.100 ( 2.980 4.036 5.002) 7.084 8.361 ( -3.385 -5.492 1.545) 6.634 8.361 ( -3.385 5.492 1.545) 6.634 9.433 ( 6.823 -4.801 -7.504) 11.221 9.433 ( 6.823 4.801 -7.504) 11.221 10.022 ( -5.334 -4.639 6.197) 9.400 10.022 ( -5.334 4.639 6.197) 9.400 10.648 ( -0.344 -2.657 0.719) 2.774 10.648 ( -0.344 2.657 0.719) 2.774 10.913 ( -2.443 -0.845 2.647) 3.699 10.913 ( -2.443 0.845 2.647) 3.700 11.459 ( 2.533 -2.388 -11.109) 11.641 11.459 ( 2.533 2.388 -11.109) 11.641 11.590 ( 0.007 -1.593 -13.862) 13.953 11.590 ( 0.007 1.593 -13.862) 13.953 13.618 ( 0.855 -2.607 -3.836) 4.717 13.618 ( 0.855 2.608 -3.836) 4.717 13.697 ( 1.152 -4.033 -2.206) 4.738 13.697 ( 1.152 4.033 -2.206) 4.739 14.345 ( -1.231 -2.604 4.976) 5.749 14.345 ( -1.231 2.604 4.976) 5.749 14.488 ( -2.872 -7.208 5.858) 9.722 14.488 ( -2.872 7.208 5.858) 9.722 16.520 ( 3.403 -3.963 -0.568) 5.255 16.520 ( 3.403 3.963 -0.568) 5.255 16.737 ( -1.765 -6.621 -1.934) 7.120 16.737 ( -1.765 6.621 -1.934) 7.120 29.228 ( 1.823 -0.115 1.102) 2.133 29.228 ( 1.823 0.115 1.102) 2.133 29.393 ( -2.039 -1.953 0.825) 2.941 29.393 ( -2.039 1.953 0.825) 2.941 31.197 ( 1.943 -3.145 -0.388) 3.717 31.197 ( 1.943 3.145 -0.388) 3.717 31.354 ( -1.721 -4.133 -0.377) 4.493 31.354 ( -1.721 4.133 -0.377) 4.493 85.936 ( 2.569 -0.410 1.459) 2.983 85.936 ( 2.569 0.410 1.459) 2.983 86.156 ( -2.561 -0.716 1.468) 3.037 86.156 ( -2.561 0.716 1.468) 3.037 ======================= Grid point 384 (135/162) ======================= q-point: ( 0.40 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.028 ( 7.157 -8.690 -9.694) 14.856 5.028 ( 7.157 8.690 -9.694) 14.856 5.161 ( -5.494 -6.021 -8.563) 11.822 5.161 ( -5.494 6.021 -8.563) 11.822 6.069 ( 17.288 -12.073 0.319) 21.089 6.069 ( 17.288 12.073 0.319) 21.089 6.426 ( -17.553 -15.108 2.891) 23.339 6.426 ( -17.553 15.108 2.891) 23.339 8.179 ( 4.766 -4.462 4.906) 8.167 8.179 ( 4.766 4.462 4.906) 8.167 8.276 ( -4.923 -4.763 3.568) 7.724 8.276 ( -4.923 4.763 3.568) 7.724 9.615 ( 11.284 -6.760 -2.166) 13.331 9.615 ( 11.284 6.760 -2.166) 13.331 9.848 ( -11.563 -6.785 3.450) 13.843 9.848 ( -11.563 6.785 3.450) 13.843 10.703 ( 5.629 -2.871 -1.023) 6.401 10.703 ( 5.628 2.871 -1.023) 6.401 10.827 ( -6.038 -1.893 0.002) 6.328 10.827 ( -6.038 1.893 0.002) 6.328 11.519 ( 3.266 -1.461 -12.220) 12.733 11.519 ( 3.266 1.461 -12.220) 12.733 11.573 ( -1.950 -1.696 -13.629) 13.872 11.573 ( -1.950 1.696 -13.629) 13.872 13.653 ( 2.532 -2.938 -2.621) 4.681 13.653 ( 2.532 2.938 -2.621) 4.681 13.698 ( -1.385 -3.152 -2.886) 4.493 13.698 ( -1.385 3.153 -2.886) 4.493 14.347 ( 1.905 -3.555 6.753) 7.866 14.347 ( 1.905 3.555 6.753) 7.866 14.414 ( -4.276 -5.445 6.638) 9.591 14.414 ( -4.276 5.445 6.638) 9.591 16.602 ( 4.576 -5.362 -1.422) 7.191 16.602 ( 4.576 5.362 -1.422) 7.191 16.684 ( -3.585 -6.263 -1.915) 7.466 16.684 ( -3.585 6.263 -1.915) 7.466 29.277 ( 3.041 -0.607 1.024) 3.266 29.277 ( 3.041 0.607 1.024) 3.266 29.340 ( -3.173 -1.329 0.918) 3.560 29.340 ( -3.173 1.329 0.918) 3.560 31.248 ( 3.015 -3.475 -0.391) 4.617 31.248 ( 3.015 3.475 -0.391) 4.617 31.307 ( -2.880 -3.850 -0.388) 4.823 31.307 ( -2.880 3.850 -0.388) 4.823 86.004 ( 4.152 -0.560 1.460) 4.437 86.004 ( 4.152 0.560 1.460) 4.437 86.088 ( -4.147 -0.666 1.463) 4.448 86.088 ( -4.147 0.666 1.463) 4.448 ======================= Grid point 425 (136/162) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 0.000 0.000 21.404) 21.404 3.498 ( 0.000 0.000 25.148) 25.148 3.498 ( 0.000 0.000 -15.979) 15.979 3.906 ( 0.000 0.000 -16.383) 16.383 4.578 ( 0.000 0.000 11.990) 11.990 4.794 ( 0.000 0.000 -10.304) 10.304 5.213 ( 0.000 0.000 14.905) 14.905 5.323 ( 0.000 0.000 1.886) 1.886 6.539 ( 0.000 0.000 4.682) 4.682 6.656 ( 0.000 0.000 -7.412) 7.412 7.740 ( 0.000 0.000 1.780) 1.780 7.821 ( 0.000 0.000 -4.092) 4.092 8.369 ( 0.000 0.000 0.620) 0.620 8.386 ( 0.000 0.000 -1.100) 1.100 9.124 ( 0.000 0.000 0.334) 0.334 9.131 ( 0.000 0.000 -0.353) 0.353 9.460 ( 0.000 0.000 2.013) 2.013 9.536 ( 0.000 0.000 -6.186) 6.186 10.375 ( 0.000 0.000 8.340) 8.340 10.485 ( 0.000 0.000 -3.631) 3.631 11.243 ( 0.000 0.000 2.680) 2.680 11.326 ( 0.000 0.000 -5.597) 5.597 11.870 ( 0.000 0.000 7.681) 7.681 12.039 ( 0.000 0.000 -10.052) 10.052 12.089 ( 0.000 0.000 0.143) 0.143 12.091 ( 0.000 0.000 -0.147) 0.147 12.182 ( 0.000 0.000 -0.081) 0.081 12.182 ( 0.000 0.000 -0.100) 0.100 14.280 ( 0.000 0.000 2.203) 2.203 14.349 ( 0.000 0.000 -4.703) 4.703 15.491 ( 0.000 0.000 21.310) 21.310 15.903 ( 0.000 0.000 -20.813) 20.813 18.116 ( 0.000 0.000 8.315) 8.315 18.198 ( 0.000 0.000 -0.732) 0.732 19.050 ( 0.000 0.000 5.293) 5.293 19.191 ( 0.000 0.000 -8.810) 8.810 28.052 ( 0.000 0.000 10.419) 10.419 28.082 ( 0.000 0.000 8.828) 8.828 28.269 ( 0.000 0.000 -9.888) 9.888 28.271 ( 0.000 0.000 -8.558) 8.558 30.273 ( 0.000 0.000 8.783) 8.783 30.430 ( 0.000 0.000 -7.446) 7.446 32.014 ( 0.000 0.000 0.056) 0.056 32.038 ( 0.000 0.000 -2.290) 2.290 86.291 ( 0.000 0.000 6.908) 6.908 86.384 ( 0.000 0.000 -2.480) 2.480 88.953 ( 0.000 0.000 29.060) 29.060 89.499 ( 0.000 0.000 -27.466) 27.466 ======================= Grid point 426 (137/162) ======================= q-point: ( 0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 3.157 0.000 18.487) 18.755 3.307 ( -14.870 0.000 19.591) 24.595 3.460 ( -3.703 0.000 -11.301) 11.892 3.623 ( -22.907 0.000 -12.565) 26.127 4.603 ( 2.403 0.000 8.667) 8.994 4.776 ( -1.741 0.000 -8.924) 9.092 5.409 ( 15.569 0.000 14.987) 21.610 5.532 ( 15.099 0.000 1.224) 15.148 6.578 ( 5.014 0.000 7.536) 9.052 6.726 ( 6.269 0.000 -7.784) 9.994 7.754 ( 1.201 0.000 2.774) 3.023 7.837 ( 1.453 0.000 -4.531) 4.758 8.370 ( 0.140 0.000 0.459) 0.480 8.384 ( -0.175 0.000 -0.932) 0.948 9.125 ( 0.081 0.000 0.264) 0.276 9.130 ( -0.046 0.000 -0.291) 0.295 9.339 ( -10.971 0.000 -2.098) 11.170 9.361 ( -14.678 0.000 -4.854) 15.460 10.445 ( 5.787 0.000 7.390) 9.386 10.537 ( 4.114 0.000 -2.359) 4.743 11.287 ( 4.601 0.000 5.016) 6.807 11.393 ( 6.187 0.000 -5.213) 8.091 11.854 ( -1.898 0.000 6.508) 6.779 12.017 ( -2.707 0.000 -10.201) 10.554 12.091 ( 0.197 0.000 0.117) 0.229 12.093 ( 0.149 0.000 -0.123) 0.193 12.180 ( -0.172 0.000 -0.077) 0.189 12.180 ( -0.170 0.000 -0.103) 0.199 14.324 ( 4.073 0.000 1.956) 4.519 14.388 ( 3.686 0.000 -4.504) 5.820 15.386 ( -8.674 0.000 17.422) 19.462 15.722 ( -15.850 0.000 -16.706) 23.029 18.270 ( 12.298 0.000 4.011) 12.935 18.313 ( 11.301 0.000 0.278) 11.305 18.999 ( -4.721 0.000 6.736) 8.226 19.147 ( -4.463 0.000 -7.886) 9.061 28.055 ( 0.279 0.000 10.280) 10.284 28.079 ( -0.288 0.000 8.995) 9.000 28.269 ( 0.019 0.000 -9.763) 9.763 28.271 ( -0.009 0.000 -8.713) 8.713 30.286 ( 1.267 0.000 7.054) 7.167 30.413 ( -1.689 0.000 -6.080) 6.310 32.017 ( 0.310 0.000 -0.158) 0.348 32.037 ( -0.131 0.000 -2.087) 2.091 86.301 ( 0.965 0.000 6.368) 6.440 86.377 ( -0.760 0.000 -1.237) 1.452 88.986 ( 3.448 0.000 23.673) 23.923 89.427 ( -6.922 0.000 -21.875) 22.944 ======================= Grid point 427 (138/162) ======================= q-point: ( 0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( -3.724 0.000 7.982) 8.808 3.214 ( -15.444 0.000 -4.143) 15.990 3.256 ( 5.278 0.000 10.453) 11.710 3.365 ( -5.594 0.000 -0.669) 5.634 4.663 ( 3.435 0.000 1.662) 3.816 4.729 ( -3.047 0.000 -4.807) 5.691 5.667 ( 8.856 0.000 10.756) 13.933 5.727 ( 3.253 0.000 4.142) 5.266 6.740 ( 9.451 0.000 7.288) 11.935 6.830 ( 1.737 0.000 -2.039) 2.679 7.790 ( 2.843 0.000 2.469) 3.765 7.846 ( -1.494 0.000 -2.906) 3.267 8.374 ( 0.243 0.000 0.036) 0.246 8.379 ( -0.265 0.000 -0.495) 0.561 9.106 ( -7.642 0.000 -5.592) 9.470 9.124 ( -8.463 0.000 -7.279) 11.162 9.127 ( 0.113 0.000 0.086) 0.142 9.129 ( -0.091 0.000 -0.126) 0.156 10.552 ( 4.250 0.000 4.948) 6.522 10.591 ( 0.532 0.000 0.903) 1.047 11.418 ( 7.896 0.000 7.802) 11.100 11.504 ( 1.944 0.000 1.430) 2.414 11.819 ( 0.693 0.000 -1.483) 1.637 11.920 ( -6.911 0.000 -9.706) 11.915 12.095 ( 0.159 0.000 0.044) 0.165 12.096 ( 0.072 0.000 -0.052) 0.089 12.177 ( -0.108 0.000 -0.081) 0.135 12.177 ( -0.121 0.000 -0.096) 0.154 14.414 ( 4.373 0.000 1.352) 4.577 14.453 ( 1.290 0.000 -2.387) 2.714 15.267 ( -0.621 0.000 6.279) 6.309 15.406 ( -13.746 0.000 -7.618) 15.716 18.488 ( 9.461 0.000 1.464) 9.573 18.546 ( 6.908 0.000 -4.405) 8.193 18.916 ( -0.862 0.000 8.182) 8.227 19.019 ( -8.059 0.000 -2.766) 8.521 28.062 ( 0.456 0.000 9.905) 9.916 28.071 ( -0.461 0.000 9.416) 9.427 28.270 ( 0.030 0.000 -9.454) 9.454 28.270 ( -0.024 0.000 -9.067) 9.067 30.321 ( 2.274 0.000 2.703) 3.532 30.370 ( -2.535 0.000 -2.316) 3.433 32.025 ( 0.437 0.000 -0.754) 0.872 32.033 ( -0.327 0.000 -1.510) 1.545 86.326 ( 1.515 0.000 4.602) 4.845 86.355 ( -1.389 0.000 1.692) 2.190 89.091 ( 7.243 0.000 9.678) 12.088 89.259 ( -9.375 0.000 -7.607) 12.073 ======================= Grid point 430 (139/162) ======================= q-point: ( 0.00 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( 0.000 30.185 19.206) 35.777 3.538 ( 0.000 4.791 22.140) 22.652 3.826 ( 0.000 30.045 -12.912) 32.702 3.930 ( 0.000 4.827 -14.007) 14.816 4.780 ( 0.000 17.167 11.983) 20.935 4.991 ( 0.000 17.390 -9.860) 19.991 5.318 ( 0.000 11.993 12.789) 17.532 5.414 ( 0.000 10.951 1.132) 11.009 6.558 ( 0.000 3.002 5.226) 6.027 6.686 ( 0.000 3.864 -7.701) 8.616 7.700 ( 0.000 -3.292 -0.280) 3.304 7.740 ( 0.000 -6.407 -2.635) 6.928 8.583 ( 0.000 19.696 1.651) 19.766 8.603 ( 0.000 19.557 0.279) 19.559 9.107 ( 0.000 -1.796 -0.195) 1.807 9.137 ( 0.000 1.582 -2.507) 2.965 9.501 ( 0.000 3.876 4.031) 5.592 9.612 ( 0.000 7.060 -7.292) 10.150 10.340 ( 0.000 -3.235 8.089) 8.712 10.447 ( 0.000 -3.627 -3.595) 5.107 11.173 ( 0.000 -6.303 1.495) 6.478 11.228 ( 0.000 -8.690 -3.942) 9.542 11.821 ( 0.000 -3.781 6.287) 7.336 11.933 ( 0.000 -5.499 -4.663) 7.210 12.182 ( 0.000 8.521 0.558) 8.539 12.205 ( 0.000 9.096 -2.026) 9.319 12.337 ( 0.000 14.045 1.204) 14.097 12.388 ( 0.000 16.573 -4.686) 17.223 14.265 ( 0.000 -1.437 2.284) 2.699 14.333 ( 0.000 -1.561 -4.511) 4.773 15.381 ( 0.000 -11.052 20.438) 23.235 15.778 ( 0.000 -12.570 -20.120) 23.724 18.054 ( 0.000 -6.104 7.628) 9.770 18.130 ( 0.000 -6.749 -0.751) 6.790 18.952 ( 0.000 -9.821 4.594) 10.843 19.073 ( 0.000 -11.580 -7.591) 13.846 28.122 ( 0.000 6.736 10.465) 12.445 28.173 ( 0.000 8.696 8.368) 12.068 28.322 ( 0.000 5.628 -10.061) 11.528 28.335 ( 0.000 6.664 -8.173) 10.545 30.285 ( 0.000 1.248 8.308) 8.401 30.434 ( 0.000 0.469 -7.121) 7.136 31.985 ( 0.000 -2.909 0.104) 2.911 32.010 ( 0.000 -2.880 -2.282) 3.674 86.265 ( 0.000 -2.617 6.366) 6.883 86.348 ( 0.000 -3.576 -2.026) 4.110 88.810 ( 0.000 -14.133 26.906) 30.392 89.304 ( 0.000 -19.203 -24.004) 30.740 ======================= Grid point 431 (140/162) ======================= q-point: ( 0.20 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( -13.581 5.449 17.298) 22.657 3.508 ( -2.123 23.229 13.161) 26.783 3.645 ( -14.237 15.783 -4.466) 21.720 3.841 ( -5.202 29.967 -12.381) 32.838 4.822 ( 3.760 19.773 9.422) 22.223 5.002 ( -0.354 20.532 -8.862) 22.366 5.470 ( 12.522 7.153 13.125) 19.500 5.577 ( 12.403 5.597 1.028) 13.646 6.602 ( 5.310 3.421 7.719) 9.974 6.754 ( 6.091 3.610 -7.903) 10.611 7.708 ( 0.685 -3.973 1.413) 4.272 7.763 ( 1.835 -5.673 -3.833) 7.089 8.577 ( -0.462 18.772 2.120) 18.897 8.600 ( -0.288 19.389 0.489) 19.398 9.072 ( -3.884 -3.871 -1.051) 5.583 9.114 ( -2.907 -0.299 -4.378) 5.264 9.410 ( -7.450 6.367 1.301) 9.885 9.472 ( -10.616 9.313 -4.944) 14.962 10.421 ( 6.511 -2.261 7.015) 9.835 10.509 ( 4.901 -2.732 -2.334) 6.077 11.216 ( 4.569 -6.496 4.002) 8.893 11.300 ( 6.549 -8.323 -4.089) 11.352 11.785 ( -3.547 -5.106 5.829) 8.522 11.899 ( -3.517 -6.548 -5.199) 9.071 12.189 ( 0.616 8.993 0.495) 9.027 12.210 ( 0.367 9.633 -1.870) 9.820 12.340 ( 0.303 14.033 0.767) 14.058 12.386 ( -0.408 16.328 -4.376) 16.910 14.305 ( 3.764 -1.783 2.044) 4.640 14.369 ( 3.370 -1.886 -4.307) 5.785 15.285 ( -7.944 -10.177 16.730) 21.132 15.610 ( -14.792 -11.278 -16.301) 24.733 18.201 ( 11.959 -6.859 3.627) 14.255 18.237 ( 10.519 -7.459 0.390) 12.901 18.901 ( -4.766 -9.809 5.884) 12.392 19.030 ( -4.450 -11.580 -6.823) 14.158 28.127 ( 0.466 6.910 10.292) 12.405 28.168 ( -0.498 8.493 8.602) 12.098 28.324 ( 0.129 5.733 -9.890) 11.433 28.334 ( -0.110 6.573 -8.364) 10.638 30.297 ( 1.214 1.198 6.666) 6.881 30.418 ( -1.596 0.567 -5.820) 6.061 31.988 ( 0.306 -2.914 -0.116) 2.932 32.008 ( -0.143 -2.894 -2.072) 3.562 86.274 ( 0.880 -2.699 5.880) 6.529 86.342 ( -0.664 -3.480 -0.921) 3.661 88.841 ( 3.173 -14.385 22.025) 26.497 89.240 ( -6.188 -18.465 -19.023) 27.223 ======================= Grid point 432 (141/162) ======================= q-point: ( 0.40 0.06 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( -3.774 5.760 7.859) 10.449 3.247 ( -13.360 4.886 -2.043) 14.371 3.629 ( 4.762 34.622 9.079) 36.108 3.735 ( -5.684 34.132 -1.488) 34.634 4.901 ( 3.931 22.174 2.000) 22.608 4.968 ( -2.790 22.412 -4.696) 23.068 5.686 ( 7.682 2.447 9.785) 12.679 5.740 ( 2.645 1.835 3.781) 4.966 6.765 ( 9.372 3.465 7.123) 12.270 6.855 ( 1.631 3.277 -2.099) 4.219 7.733 ( 2.222 -4.542 1.402) 5.247 7.778 ( -1.098 -5.173 -3.081) 6.120 8.573 ( 0.250 17.302 2.965) 17.556 8.588 ( -0.965 18.273 2.097) 18.419 8.977 ( -3.273 -4.820 -6.033) 8.387 9.013 ( -5.897 -3.146 -8.756) 11.015 9.306 ( -2.007 10.744 -0.139) 10.930 9.323 ( -3.829 11.797 -1.870) 12.543 10.538 ( 4.517 -1.383 4.721) 6.678 10.576 ( 0.906 -1.521 0.794) 1.941 11.346 ( 7.831 -6.594 6.919) 12.356 11.424 ( 2.958 -7.388 0.782) 7.997 11.715 ( -1.142 -7.455 0.634) 7.568 11.796 ( -6.580 -8.109 -5.893) 11.991 12.203 ( 0.725 10.004 0.061) 10.030 12.213 ( -0.200 10.430 -0.978) 10.478 12.348 ( 0.630 14.189 -0.950) 14.235 12.368 ( -1.258 15.332 -3.131) 15.699 14.389 ( 4.090 -2.440 1.427) 4.972 14.427 ( 1.070 -2.543 -2.192) 3.524 15.177 ( -0.310 -8.939 5.935) 10.734 15.312 ( -13.039 -9.368 -7.540) 17.737 18.413 ( 9.215 -7.491 1.217) 11.938 18.464 ( 7.254 -8.106 -3.947) 11.572 18.811 ( -1.663 -10.437 7.487) 12.952 18.904 ( -7.869 -11.435 -2.316) 14.073 28.139 ( 0.769 7.377 9.816) 12.303 28.155 ( -0.788 7.980 9.176) 12.186 28.327 ( 0.203 6.004 -9.434) 11.184 28.331 ( -0.191 6.325 -8.852) 10.881 30.331 ( 2.168 1.042 2.533) 3.493 30.377 ( -2.404 0.800 -2.239) 3.381 31.996 ( 0.435 -2.922 -0.722) 3.041 32.004 ( -0.334 -2.917 -1.485) 3.290 86.296 ( 1.366 -2.926 4.293) 5.372 86.323 ( -1.234 -3.228 1.689) 3.847 88.937 ( 6.589 -15.263 9.357) 19.077 89.089 ( -8.441 -16.808 -6.236) 19.815 ======================= Grid point 435 (142/162) ======================= q-point: ( 0.00 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( 0.000 10.977 18.422) 21.445 3.903 ( 0.000 10.427 0.473) 10.438 4.298 ( 0.000 27.871 4.823) 28.285 4.455 ( 0.000 27.201 -8.316) 28.443 5.171 ( 0.000 24.825 13.492) 28.254 5.392 ( 0.000 25.633 -9.004) 27.168 5.680 ( 0.000 22.369 8.468) 23.919 5.782 ( 0.000 23.824 -3.702) 24.110 6.741 ( 0.000 18.707 5.829) 19.594 6.871 ( 0.000 17.553 -6.864) 18.847 7.609 ( 0.000 -6.779 -0.065) 6.779 7.631 ( 0.000 -3.536 -3.296) 4.834 8.992 ( 0.000 15.310 4.273) 15.895 9.038 ( 0.000 17.051 10.736) 20.149 9.101 ( 0.000 7.668 -6.203) 9.863 9.242 ( 0.000 14.021 -8.606) 16.452 9.584 ( 0.000 3.808 7.619) 8.518 9.775 ( 0.000 8.736 -10.830) 13.914 10.274 ( 0.000 -2.796 6.820) 7.370 10.358 ( 0.000 -4.834 -2.442) 5.416 11.032 ( 0.000 -7.450 -0.981) 7.515 11.036 ( 0.000 -10.149 -1.300) 10.231 11.738 ( 0.000 -4.804 5.256) 7.121 11.827 ( 0.000 -5.649 -3.552) 6.673 12.405 ( 0.000 13.800 0.719) 13.819 12.435 ( 0.000 13.904 -2.567) 14.139 12.667 ( 0.000 18.626 2.058) 18.740 12.745 ( 0.000 18.876 -6.424) 19.939 14.230 ( 0.000 -1.917 2.523) 3.168 14.295 ( 0.000 -2.139 -3.936) 4.480 15.079 ( 0.000 -18.989 18.074) 26.215 15.436 ( 0.000 -21.504 -18.360) 28.276 17.888 ( 0.000 -10.591 5.778) 12.065 17.946 ( 0.000 -11.791 -0.683) 11.811 18.683 ( 0.000 -17.129 3.153) 17.417 18.766 ( 0.000 -19.038 -5.131) 19.717 28.288 ( 0.000 9.567 8.520) 12.811 28.368 ( 0.000 9.839 2.989) 10.283 28.510 ( 0.000 13.884 -5.903) 15.087 28.531 ( 0.000 13.047 -5.194) 14.043 30.325 ( 0.000 2.988 6.968) 7.581 30.453 ( 0.000 1.586 -6.228) 6.427 31.905 ( 0.000 -5.187 0.244) 5.193 31.930 ( 0.000 -5.118 -2.266) 5.597 86.194 ( 0.000 -4.442 4.964) 6.661 86.253 ( 0.000 -5.902 -0.934) 5.975 88.431 ( 0.000 -23.763 21.503) 32.047 88.800 ( 0.000 -30.942 -16.204) 34.928 ======================= Grid point 436 (143/162) ======================= q-point: ( 0.20 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.511 ( -13.042 11.548 14.795) 22.855 3.716 ( -16.779 9.439 -5.495) 20.020 4.314 ( 4.276 35.268 13.762) 38.099 4.539 ( 2.417 33.571 -8.716) 34.768 5.252 ( 7.194 23.120 10.984) 26.588 5.439 ( 3.076 23.024 -7.311) 24.352 5.726 ( 4.101 18.453 8.162) 20.590 5.818 ( 3.140 19.997 -2.239) 20.365 6.793 ( 5.572 18.895 6.784) 20.835 6.927 ( 5.156 16.284 -6.783) 18.378 7.613 ( 0.726 -5.642 1.274) 5.829 7.663 ( 2.187 -4.270 -4.378) 6.495 8.936 ( -5.607 10.456 6.830) 13.690 8.975 ( -6.349 5.967 9.069) 12.576 9.089 ( -0.369 17.296 -7.550) 18.876 9.208 ( -3.392 15.510 -11.690) 19.716 9.551 ( -2.233 7.378 5.923) 9.721 9.678 ( -6.913 11.244 -6.483) 14.706 10.372 ( 7.409 -2.308 5.086) 9.278 10.435 ( 6.348 -4.820 -1.423) 8.096 11.065 ( 4.445 -8.355 2.361) 9.754 11.119 ( 6.820 -9.220 -2.804) 11.806 11.682 ( -5.282 -5.460 5.385) 9.311 11.778 ( -4.896 -6.040 -4.111) 8.795 12.419 ( 1.354 14.014 0.693) 14.096 12.449 ( 1.272 14.179 -2.554) 14.464 12.662 ( -0.521 17.842 1.515) 17.914 12.734 ( -1.309 18.263 -6.183) 19.326 14.261 ( 2.906 -2.508 2.310) 4.480 14.322 ( 2.494 -2.700 -3.714) 5.225 15.008 ( -5.824 -17.363 14.814) 23.555 15.303 ( -11.880 -19.327 -15.153) 27.282 18.014 ( 10.813 -11.933 2.685) 16.326 18.036 ( 8.716 -12.718 0.491) 15.426 18.634 ( -4.778 -17.039 4.078) 18.160 18.723 ( -4.409 -19.020 -4.685) 20.078 28.296 ( 0.785 9.685 8.149) 12.681 28.361 ( -0.700 9.955 3.752) 10.662 28.511 ( 0.106 13.634 -5.994) 14.894 28.528 ( -0.242 13.031 -5.383) 14.102 30.336 ( 1.075 2.906 5.565) 6.370 30.439 ( -1.328 1.770 -5.112) 5.570 31.908 ( 0.293 -5.198 0.006) 5.206 31.928 ( -0.180 -5.147 -2.039) 5.539 86.201 ( 0.678 -4.554 4.619) 6.522 86.249 ( -0.409 -5.740 -0.171) 5.757 88.455 ( 2.458 -24.181 17.845) 30.153 88.753 ( -4.512 -29.968 -12.602) 32.822 ======================= Grid point 437 (144/162) ======================= q-point: ( 0.40 0.12 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.329 ( -3.408 12.772 6.943) 14.931 3.411 ( -11.478 11.864 -1.400) 16.567 4.418 ( 5.593 40.034 9.608) 41.549 4.515 ( -3.870 39.795 -0.102) 39.983 5.389 ( 5.712 23.687 2.769) 24.523 5.459 ( -1.307 23.566 -3.791) 23.904 5.813 ( 4.021 12.949 6.561) 15.063 5.858 ( -0.041 13.314 1.597) 13.409 6.942 ( 7.868 16.794 5.506) 19.346 7.015 ( 1.546 15.035 -1.953) 15.240 7.641 ( 2.241 -4.772 0.466) 5.293 7.682 ( -0.864 -4.446 -3.755) 5.883 8.820 ( -3.982 2.399 6.866) 8.292 8.839 ( -5.625 1.984 5.387) 8.037 9.095 ( 1.133 20.996 -9.063) 22.897 9.137 ( -3.133 19.387 -12.004) 23.017 9.532 ( 0.443 11.959 2.455) 12.217 9.571 ( -3.703 13.292 -1.554) 13.886 10.499 ( 4.664 -2.710 3.764) 6.577 10.529 ( 1.940 -3.522 0.729) 4.087 11.192 ( 7.436 -8.485 5.251) 12.444 11.253 ( 3.970 -9.199 -0.063) 10.019 11.578 ( -2.742 -6.502 2.103) 7.363 11.649 ( -7.434 -6.859 -4.334) 11.004 12.452 ( 1.723 14.767 0.410) 14.872 12.470 ( 0.266 15.063 -1.313) 15.122 12.657 ( 0.556 16.418 -1.283) 16.477 12.693 ( -2.618 16.877 -4.884) 17.763 14.327 ( 3.280 -3.678 1.686) 5.208 14.361 ( 0.434 -3.881 -1.561) 4.205 14.937 ( 0.636 -14.945 4.960) 15.759 15.059 ( -10.950 -15.789 -7.238) 20.533 18.208 ( 8.667 -13.150 0.791) 15.770 18.245 ( 7.927 -13.783 -2.935) 16.169 18.530 ( -3.476 -17.687 5.740) 18.917 18.600 ( -7.526 -18.867 -1.576) 20.374 28.316 ( 1.259 9.934 7.070) 12.258 28.341 ( -1.214 10.069 5.439) 11.509 28.515 ( 0.302 13.218 -6.031) 14.532 28.522 ( -0.379 13.032 -5.773) 14.258 30.366 ( 1.876 2.638 2.035) 3.824 30.405 ( -2.033 2.203 -2.044) 3.628 31.915 ( 0.430 -5.213 -0.630) 5.268 31.923 ( -0.360 -5.197 -1.420) 5.399 86.218 ( 1.003 -4.877 3.491) 6.081 86.237 ( -0.837 -5.334 1.649) 5.645 88.528 ( 4.989 -25.529 8.362) 27.323 88.642 ( -6.254 -27.728 -3.232) 28.607 ======================= Grid point 440 (145/162) ======================= q-point: ( 0.00 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.961 ( 0.000 16.352 13.336) 21.100 4.101 ( 0.000 10.797 0.605) 10.814 4.659 ( 0.000 10.635 6.620) 12.527 4.768 ( 0.000 7.415 -4.124) 8.485 5.603 ( 0.000 10.501 10.879) 15.120 5.838 ( 0.000 10.738 -12.644) 16.588 6.267 ( 0.000 43.092 7.568) 43.752 6.389 ( 0.000 43.262 -5.352) 43.592 7.303 ( 0.000 34.430 5.746) 34.906 7.392 ( 0.000 30.013 -1.025) 30.030 7.485 ( 0.000 -3.430 0.214) 3.437 7.571 ( 0.000 -1.715 -6.505) 6.727 9.112 ( 0.000 1.216 0.751) 1.429 9.130 ( 0.000 5.949 0.413) 5.963 9.478 ( 0.000 15.168 7.042) 16.723 9.641 ( 0.000 3.217 8.652) 9.231 9.677 ( 0.000 24.334 -4.623) 24.769 9.939 ( 0.000 9.075 -14.392) 17.014 10.250 ( 0.000 0.109 4.758) 4.759 10.295 ( 0.000 -0.720 -0.103) 0.727 10.855 ( 0.000 -7.645 0.768) 7.684 10.904 ( 0.000 -5.217 -4.245) 6.726 11.631 ( 0.000 -6.256 4.560) 7.742 11.706 ( 0.000 -6.836 -2.880) 7.418 12.698 ( 0.000 15.647 0.366) 15.652 12.725 ( 0.000 15.185 -2.422) 15.377 13.024 ( 0.000 16.890 1.022) 16.921 13.085 ( 0.000 14.824 -5.677) 15.873 14.198 ( 0.000 -1.227 2.970) 3.213 14.258 ( 0.000 -1.351 -3.069) 3.353 14.683 ( 0.000 -20.083 14.780) 24.935 14.985 ( 0.000 -23.240 -16.021) 28.227 17.654 ( 0.000 -13.135 3.207) 13.521 17.683 ( 0.000 -14.813 -0.227) 14.815 18.308 ( 0.000 -20.670 2.212) 20.788 18.364 ( 0.000 -21.320 -3.489) 21.604 28.482 ( 0.000 10.199 5.569) 11.620 28.555 ( 0.000 9.546 -1.622) 9.683 28.818 ( 0.000 15.499 -1.133) 15.540 28.823 ( 0.000 16.835 -2.058) 16.961 30.406 ( 0.000 5.388 5.003) 7.352 30.502 ( 0.000 3.602 -4.948) 6.120 31.790 ( 0.000 -6.327 0.479) 6.345 31.817 ( 0.000 -6.198 -2.262) 6.598 86.099 ( 0.000 -5.043 3.232) 5.990 86.130 ( 0.000 -6.410 0.205) 6.414 87.923 ( 0.000 -27.238 15.034) 31.112 88.156 ( 0.000 -33.703 -8.530) 34.766 ======================= Grid point 441 (146/162) ======================= q-point: ( 0.20 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.789 ( -11.592 16.458 11.577) 23.222 3.945 ( -13.852 13.775 -4.010) 19.943 4.763 ( 10.591 11.964 13.692) 21.043 4.945 ( 10.382 9.402 -5.258) 14.961 5.620 ( 2.110 8.978 10.424) 13.918 5.831 ( -0.863 10.660 -10.440) 14.945 6.289 ( 1.940 42.698 6.606) 43.249 6.389 ( -0.169 41.146 -4.475) 41.389 7.349 ( 4.438 33.537 3.377) 33.998 7.400 ( 1.204 26.846 -1.821) 26.935 7.500 ( 1.627 -5.092 2.578) 5.935 7.606 ( 2.402 0.987 -7.132) 7.590 9.018 ( -8.425 3.099 3.077) 9.489 9.035 ( -7.985 5.244 1.176) 9.625 9.484 ( 0.849 16.457 2.775) 16.711 9.622 ( -3.291 17.573 -10.254) 20.610 9.697 ( 3.158 11.558 11.914) 16.897 9.905 ( -3.214 12.238 -8.624) 15.312 10.325 ( 5.410 -6.048 1.795) 8.311 10.342 ( 4.745 -0.959 0.093) 4.842 10.910 ( 5.458 -6.595 2.206) 8.840 10.974 ( 6.609 -4.995 -4.182) 9.280 11.569 ( -5.746 -6.194 5.062) 9.849 11.656 ( -4.982 -6.487 -3.659) 8.961 12.713 ( 1.506 15.527 0.278) 15.602 12.739 ( 1.476 14.901 -2.471) 15.177 12.999 ( -2.333 15.705 0.844) 15.899 13.060 ( -2.554 14.164 -5.725) 15.489 14.217 ( 1.818 -1.778 2.799) 3.782 14.274 ( 1.322 -1.955 -2.722) 3.603 14.649 ( -2.583 -17.981 11.997) 21.770 14.899 ( -7.763 -20.673 -13.348) 25.803 17.752 ( 8.810 -14.515 1.211) 17.022 17.756 ( 7.108 -15.604 0.727) 17.162 18.261 ( -4.625 -20.505 2.748) 21.199 18.322 ( -4.309 -21.243 -3.334) 21.931 28.491 ( 0.891 10.222 5.007) 11.417 28.551 ( -0.430 9.685 -0.854) 9.732 28.814 ( -0.273 15.691 -1.282) 15.745 28.819 ( -0.315 16.422 -1.971) 16.543 30.415 ( 0.893 5.300 3.944) 6.666 30.493 ( -0.919 3.851 -4.104) 5.703 31.793 ( 0.269 -6.346 0.213) 6.355 31.815 ( -0.246 -6.245 -2.008) 6.564 86.104 ( 0.475 -5.125 3.063) 5.989 86.129 ( -0.079 -6.231 0.583) 6.259 87.938 ( 1.549 -27.700 12.737) 30.527 88.126 ( -2.828 -32.921 -6.323) 33.641 ======================= Grid point 442 (147/162) ======================= q-point: ( 0.40 0.19 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.633 ( -2.847 17.928 5.780) 19.051 3.698 ( -9.136 17.038 -0.758) 19.348 4.962 ( 8.207 14.330 10.568) 19.606 5.051 ( -0.116 13.340 1.455) 13.419 5.698 ( 5.360 7.336 5.253) 10.495 5.791 ( -3.504 9.331 -3.496) 10.563 6.333 ( 2.347 40.807 2.648) 40.960 6.373 ( -1.561 39.374 -2.103) 39.461 7.428 ( 2.790 26.880 2.625) 27.152 7.448 ( 1.819 24.709 0.906) 24.792 7.550 ( 4.093 -3.413 -1.294) 5.484 7.622 ( -1.583 1.831 -6.771) 7.191 8.870 ( -4.489 6.216 3.955) 8.628 8.885 ( -5.609 5.952 2.234) 8.478 9.511 ( 1.864 18.520 -2.832) 18.827 9.557 ( -2.917 19.919 -7.382) 21.443 9.761 ( 3.346 11.518 5.536) 13.210 9.831 ( -3.877 13.197 -1.461) 13.832 10.411 ( 3.208 -7.482 1.515) 8.280 10.426 ( 2.111 -6.504 -0.174) 6.841 11.049 ( 7.567 -5.109 3.844) 9.907 11.107 ( 4.050 -4.637 -1.547) 6.349 11.457 ( -3.044 -6.075 2.568) 7.264 11.524 ( -7.514 -6.057 -3.815) 10.378 12.753 ( 2.247 15.480 0.117) 15.643 12.771 ( 1.000 15.175 -1.694) 15.302 12.955 ( -0.954 13.349 -1.243) 13.441 12.991 ( -3.826 12.869 -4.879) 14.285 14.259 ( 2.163 -2.951 2.251) 4.296 14.288 ( -0.418 -3.264 -0.291) 3.303 14.634 ( 2.088 -14.815 3.362) 15.334 14.735 ( -7.675 -16.124 -6.598) 19.037 17.916 ( 8.361 -16.396 0.981) 18.431 17.948 ( 8.461 -16.134 -2.348) 18.368 18.147 ( -5.370 -20.863 3.985) 21.909 18.201 ( -7.513 -21.132 -1.700) 22.492 28.514 ( 1.278 10.200 3.396) 10.827 28.537 ( -0.990 9.990 1.132) 10.103 28.810 ( -0.074 15.801 -1.575) 15.880 28.813 ( -0.293 15.933 -1.823) 16.040 30.439 ( 1.463 4.984 1.282) 5.350 30.469 ( -1.479 4.428 -1.790) 5.000 31.800 ( 0.428 -6.366 -0.481) 6.399 31.808 ( -0.413 -6.330 -1.331) 6.482 86.115 ( 0.607 -5.387 2.479) 5.961 86.125 ( -0.360 -5.810 1.513) 6.014 87.985 ( 3.155 -29.058 6.767) 30.002 88.057 ( -3.945 -31.046 -0.512) 31.300 ======================= Grid point 445 (148/162) ======================= q-point: ( 0.00 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.312 ( 0.000 10.069 7.078) 12.308 4.314 ( 0.000 19.304 6.601) 20.402 4.825 ( 0.000 8.297 1.466) 8.425 4.848 ( 0.000 2.266 -1.912) 2.965 5.642 ( 0.000 -3.158 8.235) 8.820 5.876 ( 0.000 -3.836 -14.808) 15.297 7.196 ( 0.000 46.489 6.830) 46.988 7.235 ( 0.000 21.113 5.810) 21.898 7.423 ( 0.000 18.873 -2.209) 19.002 7.501 ( 0.000 -1.817 -7.317) 7.540 7.967 ( 0.000 21.039 0.123) 21.040 7.968 ( 0.000 26.416 1.710) 26.472 9.053 ( 0.000 -7.503 6.293) 9.793 9.256 ( 0.000 1.109 -13.356) 13.402 9.704 ( 0.000 17.320 12.488) 21.353 9.814 ( 0.000 16.288 5.587) 17.220 10.105 ( 0.000 18.828 -2.415) 18.982 10.155 ( 0.000 9.876 -2.753) 10.252 10.248 ( 0.000 -0.196 2.138) 2.147 10.339 ( 0.000 5.718 -7.168) 9.170 10.769 ( 0.000 -0.668 1.662) 1.791 10.846 ( 0.000 -0.349 -6.797) 6.806 11.497 ( 0.000 -7.185 4.362) 8.405 11.566 ( 0.000 -7.180 -2.517) 7.608 12.993 ( 0.000 14.099 -0.059) 14.099 13.008 ( 0.000 13.459 -1.230) 13.515 13.282 ( 0.000 4.642 -2.825) 5.435 13.286 ( 0.000 9.056 -2.441) 9.379 14.185 ( 0.000 -0.012 4.024) 4.024 14.249 ( 0.000 0.540 -2.273) 2.336 14.366 ( 0.000 -10.620 10.549) 14.969 14.595 ( 0.000 -15.094 -12.714) 19.735 17.378 ( 0.000 -16.262 0.749) 16.279 17.384 ( 0.000 -14.364 0.407) 14.370 17.898 ( 0.000 -20.898 2.477) 21.044 17.956 ( 0.000 -20.182 -3.476) 20.479 28.680 ( 0.000 9.877 3.720) 10.554 28.738 ( 0.000 9.118 -2.338) 9.413 29.105 ( 0.000 13.251 1.417) 13.327 29.131 ( 0.000 14.064 -1.341) 14.128 30.537 ( 0.000 8.026 2.784) 8.495 30.597 ( 0.000 6.116 -3.425) 7.009 31.666 ( 0.000 -6.130 0.826) 6.185 31.697 ( 0.000 -5.919 -2.284) 6.345 86.005 ( 0.000 -4.424 1.716) 4.745 86.013 ( 0.000 -5.293 0.912) 5.370 87.400 ( 0.000 -25.748 9.230) 27.352 87.523 ( 0.000 -30.385 -3.215) 30.555 ======================= Grid point 446 (149/162) ======================= q-point: ( 0.20 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.126 ( -9.534 17.021 9.131) 21.540 4.243 ( -10.178 16.573 -2.594) 19.622 4.909 ( 10.534 5.191 10.000) 15.425 5.038 ( 10.306 2.261 -3.802) 11.215 5.655 ( 1.952 -2.659 9.327) 9.893 5.886 ( 0.480 -2.489 -13.085) 13.328 7.198 ( -0.872 38.186 4.716) 38.486 7.211 ( -1.128 30.915 3.792) 31.167 7.446 ( 2.087 13.240 -0.150) 13.405 7.509 ( 0.719 0.257 -6.533) 6.578 7.949 ( -1.415 18.240 -0.617) 18.305 7.971 ( -0.087 23.153 -1.482) 23.200 9.042 ( 0.120 -0.758 10.567) 10.595 9.268 ( -0.536 14.238 -10.239) 17.545 9.688 ( 0.176 8.808 10.788) 13.928 9.848 ( 2.420 15.321 0.071) 15.512 10.051 ( -4.401 17.026 0.546) 17.594 10.154 ( -1.192 11.280 -4.351) 12.149 10.227 ( -1.085 -2.243 3.289) 4.126 10.332 ( -0.798 0.853 -7.967) 8.052 10.846 ( 7.189 0.296 2.739) 7.698 10.932 ( 7.826 0.640 -6.309) 10.073 11.442 ( -5.223 -6.690 5.037) 9.869 11.527 ( -4.090 -6.555 -3.603) 8.525 13.004 ( 1.151 13.676 -0.441) 13.731 13.012 ( 0.571 12.794 -1.021) 12.847 13.232 ( -4.049 6.639 -1.350) 7.893 13.258 ( -3.358 6.504 -3.956) 8.320 14.197 ( 1.089 -0.236 3.880) 4.036 14.252 ( 0.116 -0.166 -0.886) 0.909 14.372 ( 0.857 -8.905 7.550) 11.706 14.557 ( -3.438 -12.907 -10.623) 17.067 17.436 ( 5.670 -16.921 1.412) 17.902 17.458 ( 7.053 -15.381 -0.668) 16.934 17.855 ( -4.294 -20.649 2.709) 21.264 17.916 ( -4.055 -19.994 -3.531) 20.704 28.689 ( 0.889 9.872 3.183) 10.410 28.737 ( -0.189 9.245 -1.765) 9.414 29.102 ( -0.215 13.232 1.172) 13.285 29.123 ( -0.733 13.885 -1.011) 13.941 30.545 ( 0.713 7.951 2.119) 8.259 30.593 ( -0.416 6.400 -2.895) 7.037 31.669 ( 0.230 -6.160 0.522) 6.187 31.693 ( -0.350 -5.990 -1.994) 6.323 86.009 ( 0.368 -4.441 1.699) 4.769 86.016 ( 0.241 -5.124 0.993) 5.225 87.406 ( 0.677 -26.163 8.029) 27.376 87.506 ( -1.637 -29.913 -2.057) 30.028 ======================= Grid point 447 (150/162) ======================= q-point: ( 0.40 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.007 ( -1.912 19.689 4.817) 20.360 4.058 ( -6.921 19.433 -0.421) 20.634 5.097 ( 7.078 2.538 7.291) 10.474 5.159 ( 1.301 0.811 0.552) 1.629 5.742 ( 6.664 -1.087 6.497) 9.370 5.860 ( -3.926 -0.582 -4.440) 5.955 7.175 ( 0.023 30.899 -0.128) 30.899 7.196 ( -1.316 37.463 -1.119) 37.503 7.492 ( 2.218 6.546 1.530) 7.079 7.518 ( -0.261 3.852 -1.606) 4.182 7.932 ( 0.153 15.024 -3.248) 15.371 7.954 ( -1.542 16.332 -5.013) 17.154 9.088 ( 4.634 15.634 12.349) 20.455 9.200 ( -5.744 25.323 3.704) 26.229 9.746 ( 5.284 3.814 -0.215) 6.521 9.851 ( -3.756 10.184 -8.356) 13.698 10.005 ( 1.662 13.867 6.461) 15.388 10.083 ( -4.931 12.430 0.166) 13.373 10.248 ( 2.604 -5.162 -1.770) 6.046 10.301 ( -2.355 -4.362 -6.413) 8.106 11.013 ( 8.665 1.015 3.631) 9.450 11.085 ( 4.527 1.924 -3.242) 5.891 11.336 ( -2.917 -6.359 2.767) 7.524 11.410 ( -7.212 -5.549 -4.325) 10.076 13.035 ( 1.839 12.719 -0.438) 12.859 13.040 ( 1.969 12.190 -1.117) 12.399 13.151 ( -3.042 6.399 -1.671) 7.279 13.173 ( -4.388 6.045 -3.842) 8.400 14.222 ( 1.292 -0.739 3.474) 3.779 14.244 ( -0.923 -1.074 2.162) 2.585 14.410 ( 2.995 -7.133 0.494) 7.752 14.480 ( -3.983 -9.007 -5.740) 11.399 17.578 ( 8.134 -18.064 2.256) 19.939 17.626 ( 9.037 -16.852 -2.737) 19.317 17.739 ( -7.065 -20.371 3.250) 21.805 17.801 ( -7.539 -19.462 -3.172) 21.111 28.710 ( 1.139 9.787 1.704) 10.000 28.729 ( -0.690 9.540 -0.217) 9.567 29.100 ( 0.083 13.269 0.544) 13.281 29.108 ( -0.685 13.514 -0.259) 13.534 30.562 ( 1.001 7.642 0.458) 7.721 30.581 ( -0.818 7.047 -1.452) 7.241 31.675 ( 0.432 -6.190 -0.267) 6.211 31.685 ( -0.506 -6.125 -1.228) 6.268 86.017 ( 0.338 -4.532 1.552) 4.802 86.020 ( 0.041 -4.785 1.249) 4.945 87.428 ( 1.592 -27.278 4.880) 27.757 87.466 ( -2.189 -28.709 1.016) 28.810 ======================= Grid point 450 (151/162) ======================= q-point: ( 0.00 0.31 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.465 ( 0.000 5.378 12.280) 13.406 4.665 ( 0.000 13.344 -6.815) 14.984 4.916 ( 0.000 7.916 5.916) 9.883 5.025 ( 0.000 12.343 -2.672) 12.629 5.538 ( 0.000 -6.842 4.431) 8.151 5.735 ( 0.000 -10.137 -14.732) 17.883 7.184 ( 0.000 -7.040 14.577) 16.188 7.440 ( 0.000 -3.538 -11.872) 12.388 7.967 ( 0.000 27.419 10.223) 29.263 8.135 ( 0.000 32.416 -5.963) 32.960 8.202 ( 0.000 4.869 4.042) 6.328 8.305 ( 0.000 9.110 -1.970) 9.321 8.893 ( 0.000 -5.184 7.226) 8.894 9.135 ( 0.000 -8.683 -13.973) 16.451 10.085 ( 0.000 2.786 14.880) 15.138 10.205 ( 0.000 7.957 7.130) 10.684 10.269 ( 0.000 23.658 0.968) 23.678 10.336 ( 0.000 14.270 1.558) 14.355 10.487 ( 0.000 21.860 -10.412) 24.213 10.525 ( 0.000 11.137 -10.788) 15.505 10.816 ( 0.000 4.547 1.562) 4.807 10.889 ( 0.000 4.314 -7.410) 8.574 11.363 ( 0.000 -6.156 4.657) 7.719 11.439 ( 0.000 -5.458 -3.068) 6.261 13.232 ( 0.000 7.673 3.847) 8.583 13.235 ( 0.000 10.261 0.109) 10.261 13.304 ( 0.000 1.836 -3.223) 3.709 13.380 ( 0.000 2.307 -7.180) 7.541 14.207 ( 0.000 2.699 6.192) 6.754 14.280 ( 0.000 0.233 6.178) 6.183 14.290 ( 0.000 3.899 -2.179) 4.466 14.424 ( 0.000 -3.133 -8.312) 8.883 17.058 ( 0.000 -16.157 1.942) 16.273 17.099 ( 0.000 -14.644 -2.021) 14.783 17.501 ( 0.000 -19.649 3.631) 19.982 17.579 ( 0.000 -18.559 -4.368) 19.066 28.864 ( 0.000 8.927 2.487) 9.267 28.906 ( 0.000 8.030 -1.903) 8.252 29.316 ( 0.000 8.141 2.558) 8.533 29.353 ( 0.000 8.419 -1.230) 8.508 30.715 ( 0.000 9.926 0.771) 9.956 30.738 ( 0.000 8.204 -1.764) 8.392 31.557 ( 0.000 -5.005 1.288) 5.168 31.592 ( 0.000 -4.750 -2.322) 5.287 85.930 ( 0.000 -3.115 1.040) 3.285 85.933 ( 0.000 -2.846 0.758) 2.945 86.936 ( 0.000 -21.476 4.854) 22.018 86.987 ( 0.000 -24.310 -0.276) 24.312 ======================= Grid point 451 (152/162) ======================= q-point: ( 0.20 0.31 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.410 ( -3.617 11.369 9.948) 15.534 4.571 ( -7.473 15.515 -6.001) 18.236 5.013 ( 7.395 6.009 5.566) 11.035 5.091 ( 4.330 4.616 -2.304) 6.736 5.567 ( 3.840 -5.589 7.064) 9.792 5.785 ( 3.928 -7.080 -13.720) 15.931 7.176 ( -0.358 -8.222 12.311) 14.808 7.409 ( -3.323 -5.003 -11.228) 12.733 7.971 ( 0.382 24.451 9.952) 26.401 8.105 ( -2.701 27.797 0.455) 27.931 8.166 ( -1.846 10.710 -3.280) 11.352 8.246 ( -5.971 7.666 -7.335) 12.174 8.990 ( 11.169 -2.413 16.073) 19.721 9.322 ( 15.553 -5.727 -16.008) 23.042 9.961 ( -11.857 9.167 18.329) 23.677 10.201 ( -5.896 8.362 -2.913) 10.638 10.236 ( 1.916 8.095 4.621) 9.516 10.332 ( -3.217 14.558 5.145) 15.772 10.389 ( -3.730 20.805 -13.415) 25.034 10.510 ( -2.689 17.200 -10.444) 20.302 10.899 ( 7.093 4.128 2.528) 8.587 10.983 ( 8.129 3.851 -6.870) 11.319 11.320 ( -4.156 -5.257 5.198) 8.481 11.413 ( -2.890 -4.785 -4.305) 7.055 13.208 ( -1.275 6.654 2.460) 7.208 13.249 ( 0.605 10.897 -0.162) 10.915 13.280 ( -2.286 2.043 -2.142) 3.740 13.353 ( -2.403 4.389 -6.153) 7.931 14.215 ( 0.733 2.365 6.103) 6.586 14.266 ( -0.792 1.535 4.389) 4.717 14.316 ( 1.889 2.056 -0.994) 2.963 14.414 ( -0.920 -2.436 -7.401) 7.845 17.105 ( 4.564 -16.713 2.508) 17.506 17.156 ( 5.474 -15.432 -2.566) 16.574 17.465 ( -3.643 -19.237 3.603) 19.908 17.544 ( -3.545 -18.253 -4.511) 19.133 28.873 ( 0.859 8.922 2.074) 9.199 28.908 ( 0.070 8.184 -1.502) 8.321 29.313 ( -0.289 8.062 2.220) 8.367 29.342 ( -1.007 8.295 -0.806) 8.395 30.721 ( 0.569 9.881 0.491) 9.910 30.740 ( 0.112 8.481 -1.541) 8.620 31.558 ( 0.162 -5.064 0.934) 5.152 31.587 ( -0.502 -4.849 -1.993) 5.267 85.936 ( 0.487 -2.933 1.030) 3.146 85.938 ( 0.460 -2.778 0.764) 2.918 86.935 ( -0.056 -21.828 4.375) 22.262 86.976 ( -1.004 -24.125 0.206) 24.146 ======================= Grid point 452 (153/162) ======================= q-point: ( 0.40 0.31 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.376 ( 0.626 17.409 4.800) 18.069 4.437 ( -5.419 18.667 -1.250) 19.478 5.120 ( 3.104 0.264 1.782) 3.589 5.143 ( 0.704 -1.573 -0.894) 1.941 5.700 ( 8.468 -2.331 6.521) 10.940 5.818 ( -2.072 -2.626 -4.565) 5.660 7.200 ( 3.551 -9.778 2.914) 10.803 7.309 ( -6.419 -8.219 -7.489) 12.839 7.990 ( 1.889 18.768 7.420) 20.270 8.048 ( -3.470 20.617 3.899) 21.267 8.138 ( -0.905 16.106 -5.403) 17.012 8.149 ( -2.266 12.574 -9.061) 15.664 9.292 ( 18.195 2.823 20.777) 27.762 9.645 ( -2.391 -8.647 8.332) 12.244 9.673 ( 2.244 15.789 -3.191) 16.264 9.992 ( -14.967 4.242 -10.713) 18.888 10.261 ( 0.465 7.079 -0.020) 7.094 10.271 ( -1.115 8.544 -0.285) 8.621 10.389 ( 1.924 22.706 -4.612) 23.249 10.445 ( -3.461 19.821 -6.983) 21.298 11.053 ( 8.144 2.111 4.134) 9.374 11.153 ( 6.969 3.959 -5.819) 9.905 11.215 ( -4.844 -5.171 4.366) 8.323 11.321 ( -6.493 -3.023 -5.973) 9.326 13.196 ( 0.386 4.840 1.122) 4.983 13.226 ( -2.495 3.313 -1.552) 4.428 13.267 ( 1.235 10.503 -0.981) 10.621 13.303 ( -2.354 8.415 -3.808) 9.531 14.232 ( 0.945 1.830 5.666) 6.029 14.250 ( -0.890 1.580 4.979) 5.299 14.355 ( 2.000 0.692 -2.950) 3.631 14.390 ( -1.526 -0.933 -5.292) 5.586 17.221 ( 6.685 -18.118 3.509) 19.628 17.284 ( 5.803 -18.059 -2.025) 19.076 17.372 ( -4.445 -17.187 1.958) 17.860 17.445 ( -6.324 -17.220 -4.624) 18.919 28.892 ( 0.960 8.828 0.965) 8.933 28.906 ( -0.356 8.539 -0.416) 8.556 29.310 ( 0.134 7.958 1.343) 8.072 29.321 ( -0.963 8.053 0.212) 8.113 30.733 ( 0.565 9.640 -0.187) 9.659 30.740 ( -0.145 9.100 -0.952) 9.151 31.564 ( 0.438 -5.131 0.011) 5.149 31.575 ( -0.650 -5.044 -1.111) 5.206 85.945 ( 0.351 -2.661 0.956) 2.849 85.946 ( 0.245 -2.630 0.832) 2.769 86.938 ( 0.452 -22.680 3.094) 22.894 86.954 ( -1.117 -23.559 1.490) 23.632 ======================= Grid point 455 (154/162) ======================= q-point: ( 0.00 0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 267 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.539 ( 0.000 2.961 10.698) 11.100 4.767 ( 0.000 0.729 -11.980) 12.002 5.216 ( 0.000 18.751 5.735) 19.608 5.267 ( 0.000 8.110 3.128) 8.693 5.412 ( 0.000 -2.084 -4.726) 5.165 5.498 ( 0.000 -13.341 -11.677) 17.730 7.036 ( 0.000 -7.797 16.614) 18.353 7.328 ( 0.000 -8.525 -13.076) 15.610 8.171 ( 0.000 -1.532 9.534) 9.656 8.222 ( 0.000 -1.588 2.423) 2.897 8.403 ( 0.000 1.211 3.760) 3.951 8.514 ( 0.000 5.019 -6.985) 8.601 8.967 ( 0.000 10.523 0.357) 10.529 9.073 ( 0.000 4.363 -8.763) 9.789 10.095 ( 0.000 1.016 8.514) 8.574 10.189 ( 0.000 -1.573 -0.889) 1.807 10.555 ( 0.000 7.942 5.869) 9.876 10.639 ( 0.000 6.680 0.211) 6.683 10.874 ( 0.000 20.780 -3.121) 21.013 10.881 ( 0.000 7.275 1.246) 7.381 10.977 ( 0.000 18.018 -8.389) 19.875 10.993 ( 0.000 6.868 -8.487) 10.918 11.277 ( 0.000 -2.143 3.884) 4.437 11.363 ( 0.000 -2.254 -4.782) 5.287 13.312 ( 0.000 6.187 4.408) 7.597 13.379 ( 0.000 5.737 -2.095) 6.108 13.442 ( 0.000 7.656 -2.777) 8.144 13.469 ( 0.000 6.848 -5.627) 8.863 14.297 ( 0.000 6.243 7.574) 9.815 14.320 ( 0.000 3.465 4.856) 5.966 14.390 ( 0.000 4.650 -2.098) 5.102 14.427 ( 0.000 3.684 -5.575) 6.683 16.762 ( 0.000 -13.711 2.565) 13.948 16.820 ( 0.000 -13.589 -3.244) 13.971 17.134 ( 0.000 -17.818 4.541) 18.387 17.226 ( 0.000 -17.599 -4.962) 18.286 29.027 ( 0.000 7.732 1.471) 7.871 29.051 ( 0.000 6.783 -1.028) 6.861 29.420 ( 0.000 2.633 2.580) 3.687 29.457 ( 0.000 2.350 -1.173) 2.626 30.908 ( 0.000 8.916 -0.238) 8.919 30.914 ( 0.000 10.124 -0.681) 10.147 31.470 ( 0.000 -4.016 1.736) 4.375 31.509 ( 0.000 -3.906 -2.288) 4.527 85.895 ( 0.000 -0.503 0.754) 0.907 85.898 ( 0.000 -0.668 0.429) 0.794 86.568 ( 0.000 -16.106 2.020) 16.232 86.578 ( 0.000 -17.494 0.970) 17.521 ======================= Grid point 456 (155/162) ======================= q-point: ( 0.20 0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.569 ( 3.160 5.654 9.387) 11.405 4.775 ( 0.358 4.873 -11.181) 12.203 5.143 ( -4.451 5.601 3.874) 8.135 5.236 ( -4.945 7.502 -4.573) 10.082 5.474 ( 9.453 -1.389 6.408) 11.505 5.658 ( 10.667 -3.543 -11.382) 15.996 6.992 ( -3.742 -10.221 14.526) 18.152 7.259 ( -6.914 -10.707 -12.395) 17.778 8.121 ( -2.646 0.817 7.138) 7.656 8.204 ( -3.019 -1.368 -0.820) 3.415 8.421 ( 1.464 3.727 3.758) 5.492 8.493 ( -1.427 6.177 -3.800) 7.391 9.056 ( 10.376 9.266 7.113) 15.624 9.251 ( 14.556 0.932 -11.157) 18.364 10.031 ( -7.130 2.064 11.182) 13.422 10.182 ( -2.364 -1.757 -3.492) 4.568 10.467 ( -6.296 8.624 4.137) 11.451 10.536 ( -7.134 7.408 -1.389) 10.378 10.855 ( -1.584 17.066 -4.781) 17.794 10.886 ( -2.429 13.138 -5.624) 14.496 11.000 ( 4.826 9.154 0.342) 10.354 11.070 ( 4.930 6.985 -6.399) 10.679 11.265 ( -0.997 0.244 3.046) 3.214 11.354 ( -1.138 -1.101 -5.609) 5.828 13.315 ( 0.239 7.552 3.145) 8.185 13.366 ( -1.298 6.482 -2.312) 7.003 13.438 ( 0.198 8.167 -1.302) 8.272 13.476 ( 0.186 7.267 -4.659) 8.634 14.294 ( -0.226 5.580 7.748) 9.551 14.312 ( -0.730 3.136 5.310) 6.210 14.396 ( 0.488 4.236 -2.775) 5.088 14.422 ( -0.441 3.491 -5.425) 6.466 16.799 ( 3.587 -14.178 3.039) 14.937 16.864 ( 4.116 -14.186 -3.433) 15.165 17.106 ( -2.684 -17.343 4.243) 18.055 17.198 ( -2.872 -17.246 -5.073) 18.204 29.036 ( 0.876 7.790 1.215) 7.932 29.056 ( 0.414 7.005 -0.802) 7.063 29.414 ( -0.506 2.452 2.251) 3.367 29.444 ( -1.204 2.243 -0.778) 2.662 30.915 ( 0.596 9.175 -0.249) 9.197 30.920 ( 0.530 10.167 -0.661) 10.202 31.470 ( 0.006 -4.161 1.347) 4.374 31.502 ( -0.714 -4.044 -1.945) 4.544 85.904 ( 0.813 -0.276 0.713) 1.116 85.906 ( 0.757 -0.403 0.443) 0.965 86.560 ( -0.701 -16.464 1.934) 16.592 86.569 ( -0.892 -17.600 1.080) 17.655 ======================= Grid point 457 (156/162) ======================= q-point: ( 0.40 0.38 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 441 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.658 ( 5.484 10.986 5.102) 13.296 4.753 ( -3.238 12.726 -3.719) 13.648 5.088 ( -0.201 -2.700 -1.120) 2.930 5.137 ( -4.450 -0.080 -5.159) 6.814 5.694 ( 10.735 3.150 6.464) 12.921 5.801 ( 1.514 2.150 -3.836) 4.650 6.954 ( 1.836 -15.006 4.543) 15.785 7.083 ( -9.737 -14.742 -7.961) 19.378 8.100 ( 0.507 2.532 3.226) 4.132 8.136 ( -3.016 1.529 -0.336) 3.398 8.448 ( 1.173 6.310 1.977) 6.715 8.469 ( -1.065 6.780 -0.284) 6.869 9.338 ( 16.521 5.286 11.981) 21.082 9.522 ( 6.865 -0.664 -2.769) 7.432 9.848 ( -5.452 3.377 5.973) 8.764 10.017 ( -13.615 -0.985 -6.986) 15.335 10.411 ( 0.488 8.392 -0.066) 8.407 10.442 ( -2.529 8.514 -2.835) 9.324 10.823 ( -0.968 14.369 -4.477) 15.082 10.834 ( -2.054 12.882 -4.664) 13.853 11.095 ( 4.187 5.024 1.827) 6.791 11.139 ( 0.729 1.952 -1.201) 2.405 11.259 ( 1.446 4.939 -2.362) 5.663 11.314 ( -2.945 2.056 -6.221) 7.183 13.322 ( 0.548 9.213 1.025) 9.286 13.339 ( -1.235 8.605 -0.913) 8.741 13.451 ( 0.985 8.320 -1.056) 8.445 13.470 ( -0.735 8.073 -2.727) 8.553 14.292 ( 0.046 4.213 7.461) 8.568 14.298 ( -0.567 3.180 6.408) 7.176 14.405 ( 0.411 3.353 -3.954) 5.200 14.413 ( -0.443 3.197 -4.866) 5.839 16.889 ( 5.049 -15.386 3.758) 16.623 16.946 ( 1.878 -15.930 -0.576) 16.051 17.052 ( -0.745 -15.759 0.375) 15.781 17.119 ( -4.871 -16.248 -4.970) 17.676 29.055 ( 0.801 7.818 0.560) 7.879 29.062 ( 0.065 7.505 -0.206) 7.508 29.407 ( -0.002 2.109 1.371) 2.515 29.418 ( -1.120 2.044 0.218) 2.341 30.927 ( 0.456 9.732 -0.348) 9.749 30.929 ( 0.249 10.124 -0.539) 10.141 31.473 ( 0.393 -4.377 0.301) 4.404 31.485 ( -0.843 -4.313 -0.981) 4.503 85.919 ( 0.559 0.124 0.608) 0.835 85.920 ( 0.457 0.080 0.500) 0.682 86.548 ( -0.357 -17.229 1.693) 17.316 86.551 ( -0.674 -17.671 1.364) 17.736 ======================= Grid point 460 (157/162) ======================= q-point: ( 0.00 0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.607 ( 0.000 4.458 4.652) 6.443 4.763 ( 0.000 -0.989 -10.689) 10.734 5.197 ( 0.000 -6.734 0.111) 6.735 5.237 ( 0.000 -11.067 -4.607) 11.988 5.560 ( 0.000 13.927 -0.168) 13.928 5.585 ( 0.000 10.880 -2.695) 11.209 6.902 ( 0.000 -4.842 12.758) 13.646 7.109 ( 0.000 -12.767 -7.989) 15.060 8.134 ( 0.000 -0.514 5.855) 5.878 8.179 ( 0.000 -2.149 0.950) 2.349 8.386 ( 0.000 -1.448 3.518) 3.804 8.472 ( 0.000 -5.098 -4.935) 7.095 9.149 ( 0.000 6.772 -1.821) 7.013 9.194 ( 0.000 4.744 -5.866) 7.544 10.131 ( 0.000 2.033 4.619) 5.046 10.169 ( 0.000 -0.492 0.853) 0.985 10.670 ( 0.000 4.223 4.375) 6.081 10.716 ( 0.000 1.947 0.531) 2.018 10.953 ( 0.000 2.213 2.870) 3.624 11.003 ( 0.000 0.237 -1.905) 1.919 11.215 ( 0.000 6.701 -2.873) 7.291 11.252 ( 0.000 7.327 -7.304) 10.345 11.304 ( 0.000 5.566 -3.761) 6.718 11.346 ( 0.000 0.955 -5.842) 5.920 13.473 ( 0.000 7.619 0.426) 7.631 13.492 ( 0.000 4.831 -1.788) 5.151 13.568 ( 0.000 5.704 -0.853) 5.767 13.599 ( 0.000 5.808 -3.640) 6.854 14.374 ( 0.000 3.036 4.033) 5.048 14.431 ( 0.000 0.839 -1.234) 1.492 14.468 ( 0.000 9.175 6.740) 11.384 14.553 ( 0.000 6.223 -2.256) 6.619 16.547 ( 0.000 -7.641 1.700) 7.828 16.588 ( 0.000 -9.462 -2.422) 9.767 16.831 ( 0.000 -11.958 3.568) 12.479 16.907 ( 0.000 -14.174 -4.207) 14.785 29.161 ( 0.000 5.735 0.683) 5.775 29.168 ( 0.000 5.011 -0.069) 5.011 29.433 ( 0.000 -0.767 1.782) 1.940 29.458 ( 0.000 -1.650 -0.823) 1.844 31.073 ( 0.000 7.546 0.698) 7.579 31.094 ( 0.000 7.802 -1.390) 7.925 31.396 ( 0.000 -3.484 1.776) 3.911 31.433 ( 0.000 -4.072 -1.946) 4.513 85.906 ( 0.000 1.360 0.544) 1.465 85.907 ( 0.000 1.549 0.428) 1.607 86.306 ( 0.000 -10.224 1.106) 10.284 86.311 ( 0.000 -9.983 0.587) 10.000 ======================= Grid point 461 (158/162) ======================= q-point: ( 0.20 0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.665 ( 5.623 4.788 4.051) 8.424 4.809 ( 4.410 -0.462 -10.276) 11.192 5.157 ( -4.516 -2.867 0.483) 5.371 5.209 ( -3.372 -6.587 -5.248) 9.072 5.629 ( 8.255 12.237 3.293) 15.124 5.713 ( 11.348 7.120 -5.261) 14.393 6.807 ( -8.873 -7.368 11.671) 16.408 7.003 ( -10.329 -14.305 -8.023) 19.383 8.139 ( 0.757 1.707 4.991) 5.329 8.188 ( 0.462 0.079 0.110) 0.482 8.396 ( 0.952 -3.348 4.067) 5.353 8.464 ( -0.798 -5.392 -2.637) 6.056 9.236 ( 8.978 7.266 0.666) 11.569 9.313 ( 11.175 2.957 -6.773) 13.398 10.076 ( -6.342 2.414 6.682) 9.523 10.152 ( -3.601 -1.486 -0.639) 3.948 10.601 ( -4.760 5.333 2.994) 7.750 10.643 ( -4.691 3.622 -0.840) 5.986 10.941 ( -2.409 -0.144 0.265) 2.428 10.956 ( -4.258 -1.260 -1.333) 4.636 11.236 ( 1.934 8.090 -3.381) 8.979 11.264 ( 1.333 6.966 -6.310) 9.493 11.318 ( 1.230 4.804 -2.724) 5.658 11.363 ( 0.978 1.826 -6.042) 6.387 13.489 ( 1.413 7.587 0.053) 7.718 13.504 ( 1.138 6.071 -1.713) 6.410 13.573 ( 0.561 6.227 -0.192) 6.255 13.607 ( 0.461 5.779 -3.360) 6.701 14.369 ( -0.371 3.213 4.576) 5.604 14.418 ( -0.990 3.260 2.444) 4.193 14.462 ( -0.539 6.083 3.112) 6.855 14.536 ( -1.622 5.507 -2.207) 6.150 16.576 ( 2.839 -7.899 2.028) 8.636 16.623 ( 3.307 -9.746 -2.681) 10.635 16.811 ( -1.964 -11.711 3.295) 12.323 16.885 ( -2.213 -13.872 -4.248) 14.675 29.174 ( 1.159 6.020 0.560) 6.156 29.179 ( 0.981 5.404 0.008) 5.492 29.421 ( -1.056 -1.205 1.592) 2.259 29.442 ( -1.497 -1.880 -0.571) 2.470 31.085 ( 1.123 7.889 0.592) 7.991 31.104 ( 0.840 8.196 -1.254) 8.334 31.390 ( -0.480 -3.963 1.473) 4.255 31.421 ( -1.059 -4.335 -1.688) 4.771 85.922 ( 1.471 1.932 0.561) 2.492 85.924 ( 1.499 2.064 0.376) 2.579 86.290 ( -1.448 -10.756 1.094) 10.908 86.295 ( -1.517 -10.530 0.633) 10.657 ======================= Grid point 462 (159/162) ======================= q-point: ( 0.40 0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.810 ( 8.556 5.403 2.257) 10.368 4.909 ( 3.340 3.200 -7.224) 8.578 5.040 ( -4.771 -1.686 -0.129) 5.062 5.105 ( -6.637 -3.079 -6.405) 9.724 5.852 ( 11.958 12.249 4.719) 17.757 5.933 ( 6.674 10.787 -3.222) 13.087 6.638 ( -4.351 -16.257 5.469) 17.696 6.751 ( -13.134 -18.226 -5.735) 23.186 8.163 ( 1.479 4.269 2.971) 5.407 8.186 ( -0.675 3.893 0.622) 3.999 8.419 ( 1.253 -5.966 3.347) 6.955 8.444 ( -1.217 -6.158 0.797) 6.328 9.481 ( 14.654 7.432 4.364) 17.001 9.575 ( 12.428 3.372 -4.381) 13.603 9.875 ( -11.173 0.663 6.023) 12.711 9.972 ( -13.615 -3.222 -2.795) 14.268 10.572 ( 1.540 7.687 -0.179) 7.841 10.598 ( -0.593 7.162 -2.652) 7.660 10.866 ( -3.010 -3.893 -0.664) 4.966 10.875 ( -3.463 -3.571 -1.674) 5.248 11.275 ( 1.667 8.294 -3.493) 9.153 11.289 ( 0.520 7.808 -4.591) 9.073 11.344 ( 1.393 3.411 -3.489) 5.074 11.367 ( -0.634 2.607 -5.400) 6.030 13.519 ( 1.344 8.593 -0.194) 8.700 13.527 ( 0.725 8.922 -1.108) 9.020 13.586 ( 0.748 5.305 -0.670) 5.399 13.604 ( -0.796 5.353 -2.403) 5.921 14.371 ( 0.779 4.405 5.899) 7.404 14.396 ( -1.430 5.892 6.462) 8.861 14.461 ( 0.877 2.397 -1.301) 2.864 14.495 ( -2.275 3.628 -2.028) 4.739 16.647 ( 3.914 -8.551 2.503) 9.732 16.690 ( 1.629 -9.514 -0.865) 9.691 16.771 ( -0.522 -12.041 0.378) 12.059 16.824 ( -3.819 -13.118 -4.014) 14.240 29.197 ( 0.903 6.687 0.313) 6.755 29.199 ( 0.731 6.421 0.153) 6.464 29.402 ( -0.528 -2.276 1.016) 2.548 29.411 ( -1.359 -2.479 0.132) 2.830 31.109 ( 1.046 8.684 0.140) 8.748 31.117 ( 0.271 8.906 -0.685) 8.937 31.384 ( 0.092 -4.888 0.483) 4.913 31.398 ( -1.150 -4.923 -0.840) 5.125 85.952 ( 1.143 3.235 0.491) 3.466 85.953 ( 1.040 3.317 0.366) 3.495 86.262 ( -0.991 -11.977 1.008) 12.060 86.264 ( -1.190 -11.851 0.795) 11.938 ======================= Grid point 465 (160/162) ======================= q-point: ( 0.00 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.708 ( 0.000 -4.902 -4.587) 6.713 4.708 ( 0.000 4.902 -4.587) 6.713 5.119 ( 0.000 -0.190 -1.630) 1.641 5.119 ( 0.000 0.190 -1.630) 1.641 5.707 ( 0.000 -0.055 -1.053) 1.055 5.707 ( 0.000 0.055 -1.053) 1.055 6.905 ( 0.000 -6.080 2.435) 6.550 6.905 ( 0.000 6.080 2.435) 6.550 8.147 ( 0.000 -1.255 2.648) 2.930 8.147 ( 0.000 1.255 2.648) 2.930 8.390 ( 0.000 -2.422 -0.691) 2.519 8.390 ( 0.000 2.422 -0.691) 2.519 9.226 ( 0.000 -1.225 -3.926) 4.113 9.226 ( 0.000 1.225 -3.926) 4.113 10.159 ( 0.000 -0.831 2.729) 2.852 10.159 ( 0.000 0.831 2.729) 2.852 10.723 ( 0.000 -1.181 2.422) 2.695 10.723 ( 0.000 1.181 2.422) 2.695 10.987 ( 0.000 -1.403 1.329) 1.932 10.987 ( 0.000 1.403 1.329) 1.932 11.276 ( 0.000 -1.610 -4.598) 4.872 11.276 ( 0.000 1.610 -4.598) 4.872 11.382 ( 0.000 -0.404 -6.339) 6.352 11.382 ( 0.000 0.404 -6.339) 6.352 13.541 ( 0.000 -0.014 -1.859) 1.859 13.541 ( 0.000 0.014 -1.859) 1.859 13.653 ( 0.000 -1.227 -1.118) 1.660 13.653 ( 0.000 1.227 -1.118) 1.660 14.424 ( 0.000 -1.678 1.919) 2.549 14.424 ( 0.000 1.678 1.919) 2.549 14.599 ( 0.000 -2.580 2.376) 3.507 14.599 ( 0.000 2.580 2.376) 3.507 16.481 ( 0.000 -1.056 -0.123) 1.063 16.481 ( 0.000 1.056 -0.123) 1.063 16.728 ( 0.000 -2.519 -0.727) 2.622 16.728 ( 0.000 2.519 -0.727) 2.622 29.226 ( 0.000 -0.032 0.448) 0.450 29.226 ( 0.000 0.032 0.448) 0.450 29.424 ( 0.000 -0.828 0.272) 0.872 29.424 ( 0.000 0.828 0.272) 0.872 31.173 ( 0.000 -1.218 -0.083) 1.221 31.173 ( 0.000 1.218 -0.083) 1.221 31.365 ( 0.000 -1.602 -0.224) 1.617 31.365 ( 0.000 1.602 -0.224) 1.617 85.930 ( 0.000 -0.142 0.548) 0.566 85.930 ( 0.000 0.142 0.548) 0.566 86.201 ( 0.000 -0.315 0.521) 0.608 86.201 ( 0.000 0.315 0.521) 0.608 ======================= Grid point 467 (161/162) ======================= q-point: ( 0.20 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.760 ( 5.183 -4.412 -4.256) 8.027 4.760 ( 5.183 4.412 -4.256) 8.027 5.122 ( -0.950 -1.063 -2.270) 2.680 5.122 ( -0.950 1.063 -2.270) 2.680 5.789 ( 9.189 -2.157 -0.610) 9.459 5.789 ( 9.189 2.157 -0.610) 9.459 6.780 ( -12.199 -6.015 1.852) 13.727 6.780 ( -12.199 6.015 1.852) 13.727 8.180 ( 3.128 -1.671 2.705) 4.460 8.180 ( 3.128 1.671 2.705) 4.460 8.374 ( -1.678 -2.296 0.024) 2.844 8.374 ( -1.678 2.296 0.024) 2.844 9.325 ( 9.744 -1.898 -3.173) 10.422 9.325 ( 9.744 1.898 -3.173) 10.422 10.119 ( -5.461 -1.921 3.055) 6.545 10.119 ( -5.461 1.921 3.055) 6.545 10.668 ( -3.167 -1.213 1.171) 3.587 10.668 ( -3.167 1.213 1.171) 3.587 10.935 ( -5.088 -0.254 -0.279) 5.102 10.935 ( -5.088 0.254 -0.279) 5.102 11.306 ( 2.558 -0.847 -4.086) 4.895 11.306 ( 2.558 0.847 -4.086) 4.895 11.391 ( 0.561 -0.793 -5.803) 5.883 11.391 ( 0.561 0.793 -5.803) 5.883 13.560 ( 1.868 -0.351 -1.675) 2.533 13.560 ( 1.868 0.351 -1.675) 2.533 13.663 ( 0.574 -1.130 -1.140) 1.705 13.663 ( 0.574 1.131 -1.140) 1.705 14.422 ( 0.205 -1.774 2.362) 2.961 14.422 ( 0.205 1.774 2.362) 2.961 14.574 ( -2.452 -2.544 2.478) 4.316 14.574 ( -2.452 2.544 2.478) 4.316 16.511 ( 2.861 -1.346 -0.279) 3.174 16.511 ( 2.861 1.346 -0.279) 3.174 16.710 ( -1.852 -2.480 -0.766) 3.188 16.710 ( -1.852 2.480 -0.766) 3.188 29.243 ( 1.778 -0.058 0.434) 1.831 29.243 ( 1.778 0.058 0.434) 1.831 29.404 ( -1.980 -0.739 0.291) 2.133 29.404 ( -1.980 0.739 0.291) 2.133 31.193 ( 1.914 -1.262 -0.098) 2.295 31.193 ( 1.914 1.262 -0.098) 2.295 31.347 ( -1.705 -1.571 -0.213) 2.328 31.347 ( -1.705 1.571 -0.213) 2.328 85.956 ( 2.564 -0.178 0.545) 2.627 85.956 ( 2.564 0.178 0.545) 2.627 86.175 ( -2.558 -0.309 0.523) 2.629 86.175 ( -2.558 0.309 0.523) 2.629 ======================= Grid point 469 (162/162) ======================= q-point: ( 0.40 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 248 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.895 ( 8.042 -3.357 -3.683) 9.461 4.895 ( 8.042 3.357 -3.683) 9.461 5.046 ( -6.562 -2.179 -3.119) 7.585 5.046 ( -6.562 2.179 -3.119) 7.585 6.073 ( 18.736 -4.397 0.076) 19.245 6.073 ( 18.736 4.397 0.076) 19.246 6.461 ( -19.374 -5.578 0.844) 20.179 6.461 ( -19.374 5.578 0.844) 20.178 8.254 ( 3.984 -2.070 2.362) 5.073 8.254 ( 3.984 2.070 2.362) 5.073 8.326 ( -3.183 -2.174 1.354) 4.085 8.326 ( -3.183 2.174 1.354) 4.085 9.586 ( 16.069 -2.743 -0.823) 16.322 9.586 ( 16.069 2.743 -0.823) 16.322 9.908 ( -15.313 -2.868 2.077) 15.717 9.908 ( -15.313 2.868 2.077) 15.717 10.681 ( 4.524 -1.275 -0.870) 4.780 10.681 ( 4.524 1.275 -0.870) 4.780 10.807 ( -7.306 -0.863 -1.444) 7.497 10.807 ( -7.306 0.863 -1.444) 7.497 11.357 ( 2.372 -0.575 -4.142) 4.807 11.357 ( 2.372 0.575 -4.142) 4.807 11.390 ( -0.845 -0.838 -4.891) 5.034 11.390 ( -0.845 0.838 -4.891) 5.034 13.609 ( 2.862 -0.569 -1.396) 3.235 13.609 ( 2.862 0.569 -1.396) 3.235 13.656 ( -1.540 -0.799 -1.257) 2.143 13.656 ( -1.540 0.800 -1.257) 2.143 14.447 ( 2.439 -2.124 2.937) 4.369 14.447 ( 2.439 2.124 2.937) 4.369 14.511 ( -3.675 -2.427 2.812) 5.225 14.511 ( -3.675 2.428 2.812) 5.225 16.582 ( 4.054 -1.879 -0.587) 4.506 16.582 ( 4.054 1.879 -0.587) 4.506 16.657 ( -3.440 -2.292 -0.772) 4.205 16.657 ( -3.440 2.292 -0.772) 4.205 29.291 ( 2.961 -0.255 0.394) 2.998 29.291 ( 2.961 0.255 0.394) 2.998 29.352 ( -3.084 -0.515 0.339) 3.145 29.352 ( -3.084 0.515 0.339) 3.145 31.243 ( 2.973 -1.369 -0.138) 3.276 31.243 ( 2.973 1.369 -0.138) 3.276 31.301 ( -2.846 -1.485 -0.181) 3.215 31.301 ( -2.846 1.485 -0.181) 3.215 86.024 ( 4.145 -0.240 0.538) 4.187 86.024 ( 4.145 0.240 0.538) 4.187 86.108 ( -4.141 -0.286 0.529) 4.185 86.108 ( -4.141 0.286 0.529) 4.185 =================== 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 3/42240 10.0 13951.357 24213.818 19415.044 0.000 0.000 -0.000 3/42240 20.0 4233.894 5930.544 4624.267 0.000 0.000 -0.000 3/42240 30.0 1613.077 2304.670 1632.346 0.000 0.000 -0.000 3/42240 40.0 748.351 1143.798 729.166 0.000 0.000 -0.000 3/42240 50.0 407.182 650.954 387.901 0.000 0.000 -0.000 3/42240 60.0 249.049 410.754 233.946 0.000 0.000 -0.000 3/42240 70.0 166.166 280.738 154.622 0.000 0.000 -0.000 3/42240 80.0 118.489 204.214 109.495 0.000 0.000 -0.000 3/42240 90.0 89.002 156.016 81.801 0.000 0.000 -0.000 3/42240 100.0 69.674 123.935 63.760 0.000 0.000 -0.000 3/42240 110.0 56.388 101.588 51.422 0.000 0.000 -0.000 3/42240 120.0 46.886 85.420 42.640 0.000 0.000 -0.000 3/42240 130.0 39.860 73.341 36.172 0.000 0.000 -0.000 3/42240 140.0 34.513 64.067 31.269 0.000 0.000 -0.000 3/42240 150.0 30.345 56.777 27.459 0.000 0.000 -0.000 3/42240 160.0 27.025 50.927 24.433 0.000 0.000 -0.000 3/42240 170.0 24.331 46.149 21.984 0.000 0.000 -0.000 3/42240 180.0 22.111 42.185 19.970 0.000 0.000 -0.000 3/42240 190.0 20.253 38.850 18.287 0.000 0.000 -0.000 3/42240 200.0 18.680 36.010 16.865 0.000 0.000 -0.000 3/42240 210.0 17.333 33.566 15.647 0.000 0.000 -0.000 3/42240 220.0 16.167 31.442 14.595 0.000 0.000 -0.000 3/42240 230.0 15.150 29.579 13.677 0.000 0.000 -0.000 3/42240 240.0 14.254 27.934 12.870 0.000 0.000 -0.000 3/42240 250.0 13.461 26.470 12.155 0.000 0.000 -0.000 3/42240 260.0 12.753 25.159 11.517 0.000 0.000 -0.000 3/42240 270.0 12.118 23.978 10.945 0.000 0.000 -0.000 3/42240 280.0 11.545 22.909 10.428 0.000 0.000 -0.000 3/42240 290.0 11.025 21.937 9.960 0.000 0.000 -0.000 3/42240 300.0 10.552 21.048 9.534 0.000 0.000 -0.000 3/42240 310.0 10.119 20.233 9.143 0.000 0.000 -0.000 3/42240 320.0 9.722 19.483 8.785 0.000 0.000 -0.000 3/42240 330.0 9.355 18.789 8.455 0.000 0.000 -0.000 3/42240 340.0 9.017 18.146 8.150 0.000 0.000 -0.000 3/42240 350.0 8.703 17.549 7.867 0.000 0.000 -0.000 3/42240 360.0 8.411 16.992 7.604 0.000 0.000 -0.000 3/42240 370.0 8.139 16.471 7.359 0.000 0.000 -0.000 3/42240 380.0 7.885 15.983 7.129 0.000 0.000 -0.000 3/42240 390.0 7.647 15.525 6.914 0.000 0.000 -0.000 3/42240 400.0 7.423 15.095 6.713 0.000 0.000 -0.000 3/42240 410.0 7.213 14.688 6.523 0.000 0.000 -0.000 3/42240 420.0 7.015 14.305 6.344 0.000 0.000 -0.000 3/42240 430.0 6.827 13.942 6.175 0.000 0.000 -0.000 3/42240 440.0 6.650 13.598 6.016 0.000 0.000 -0.000 3/42240 450.0 6.483 13.272 5.864 0.000 0.000 -0.000 3/42240 460.0 6.324 12.962 5.721 0.000 0.000 -0.000 3/42240 470.0 6.173 12.666 5.585 0.000 0.000 -0.000 3/42240 480.0 6.029 12.385 5.455 0.000 0.000 -0.000 3/42240 490.0 5.892 12.117 5.331 0.000 0.000 -0.000 3/42240 500.0 5.761 11.860 5.214 0.000 0.000 -0.000 3/42240 510.0 5.637 11.615 5.101 0.000 0.000 -0.000 3/42240 520.0 5.518 11.380 4.994 0.000 0.000 -0.000 3/42240 530.0 5.404 11.156 4.891 0.000 0.000 -0.000 3/42240 540.0 5.294 10.940 4.793 0.000 0.000 -0.000 3/42240 550.0 5.190 10.733 4.698 0.000 0.000 -0.000 3/42240 560.0 5.089 10.534 4.608 0.000 0.000 -0.000 3/42240 570.0 4.993 10.343 4.521 0.000 0.000 -0.000 3/42240 580.0 4.900 10.158 4.437 0.000 0.000 -0.000 3/42240 590.0 4.810 9.981 4.357 0.000 0.000 -0.000 3/42240 600.0 4.724 9.810 4.280 0.000 0.000 -0.000 3/42240 610.0 4.642 9.645 4.205 0.000 0.000 -0.000 3/42240 620.0 4.562 9.486 4.133 0.000 0.000 -0.000 3/42240 630.0 4.485 9.333 4.064 0.000 0.000 -0.000 3/42240 640.0 4.410 9.184 3.997 0.000 0.000 -0.000 3/42240 650.0 4.338 9.040 3.933 0.000 0.000 -0.000 3/42240 660.0 4.269 8.901 3.870 0.000 0.000 -0.000 3/42240 670.0 4.201 8.767 3.810 0.000 0.000 -0.000 3/42240 680.0 4.136 8.637 3.752 0.000 0.000 -0.000 3/42240 690.0 4.073 8.510 3.695 0.000 0.000 -0.000 3/42240 700.0 4.012 8.388 3.640 0.000 0.000 -0.000 3/42240 710.0 3.953 8.269 3.587 0.000 0.000 -0.000 3/42240 720.0 3.895 8.154 3.536 0.000 0.000 -0.000 3/42240 730.0 3.840 8.042 3.486 0.000 0.000 -0.000 3/42240 740.0 3.786 7.933 3.437 0.000 0.000 -0.000 3/42240 750.0 3.733 7.827 3.390 0.000 0.000 -0.000 3/42240 760.0 3.682 7.725 3.345 0.000 0.000 -0.000 3/42240 770.0 3.632 7.625 3.300 0.000 0.000 -0.000 3/42240 780.0 3.584 7.528 3.257 0.000 0.000 -0.000 3/42240 790.0 3.537 7.433 3.215 0.000 0.000 -0.000 3/42240 800.0 3.491 7.341 3.174 0.000 0.000 -0.000 3/42240 810.0 3.446 7.251 3.134 0.000 0.000 -0.000 3/42240 820.0 3.403 7.163 3.096 0.000 0.000 -0.000 3/42240 830.0 3.361 7.078 3.058 0.000 0.000 -0.000 3/42240 840.0 3.320 6.995 3.021 0.000 0.000 -0.000 3/42240 850.0 3.279 6.914 2.985 0.000 0.000 -0.000 3/42240 860.0 3.240 6.835 2.950 0.000 0.000 -0.000 3/42240 870.0 3.202 6.757 2.916 0.000 0.000 -0.000 3/42240 880.0 3.164 6.682 2.883 0.000 0.000 -0.000 3/42240 890.0 3.128 6.608 2.851 0.000 0.000 -0.000 3/42240 900.0 3.092 6.536 2.819 0.000 0.000 -0.000 3/42240 910.0 3.058 6.466 2.788 0.000 0.000 -0.000 3/42240 920.0 3.024 6.397 2.758 0.000 0.000 -0.000 3/42240 930.0 2.990 6.330 2.728 0.000 0.000 -0.000 3/42240 940.0 2.958 6.264 2.699 0.000 0.000 -0.000 3/42240 950.0 2.926 6.199 2.671 0.000 0.000 -0.000 3/42240 960.0 2.895 6.136 2.643 0.000 0.000 -0.000 3/42240 970.0 2.865 6.075 2.616 0.000 0.000 -0.000 3/42240 980.0 2.835 6.014 2.590 0.000 0.000 -0.000 3/42240 990.0 2.806 5.955 2.564 0.000 0.000 -0.000 3/42240 1000.0 2.777 5.897 2.538 0.000 0.000 -0.000 3/42240 Thermal conductivity related properties were written into "kappa-m51611.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:35:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|