# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/6a588035-eb9f-43f1-b904-5d88470272a5/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Li4GeO4 / Cmcm (63) / materials id 4558](https://mdr.nims.go.jp/datasets/1fb4960b-360f-4209-a265-acf5ce9e9618) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 20:17:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 3.885104235000000 -3.657815330000000 0.000000000000000 b 3.885104235000000 3.657815330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.036829830000002Atomic positions (fractional): *1 Li 0.57907380663166 0.12461263102425 0.25000000000000 6.941 2 Li 0.42092619336834 0.87538736897575 0.75000000000000 6.941 *3 Li 0.16102572013820 0.16102572013820 0.50000000000000 6.941 4 Li 0.83897427986180 0.83897427986180 0.00000000000000 6.941 5 Li 0.83897427986180 0.83897427986180 0.50000000000000 6.941 6 Li 0.16102572013820 0.16102572013820 0.00000000000000 6.941 7 Li 0.12461263102425 0.57907380663166 0.75000000000000 6.941 8 Li 0.87538736897575 0.42092619336834 0.25000000000000 6.941 *9 O 0.34115727732624 0.26740467702405 0.75000000000000 15.999 10 O 0.65884272267376 0.73259532297595 0.25000000000000 15.999 *11 O 0.79606030854955 0.20393969145045 0.50570358385461 15.999 12 O 0.20393969145045 0.79606030854955 0.00570358385461 15.999 13 O 0.79606030854955 0.20393969145045 0.99429641614539 15.999 14 O 0.20393969145045 0.79606030854955 0.49429641614539 15.999 15 O 0.73259532297595 0.65884272267376 0.75000000000000 15.999 16 O 0.26740467702405 0.34115727732624 0.25000000000000 15.999 *17 Ge 0.34004515295884 0.65995484704116 0.25000000000000 72.640 18 Ge 0.65995484704116 0.34004515295884 0.75000000000000 72.640-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.770208470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.315630660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.036829830000002Atomic positions (fractional): *1 Li 0.35184321882796 0.77276941219629 0.25000000000000 6.941 > 1 2 Li 0.64815678117204 0.22723058780371 0.75000000000000 6.941 > 2 *3 Li 0.16102572013820 0.00000000000000 0.50000000000000 6.941 > 3 4 Li 0.83897427986180 0.00000000000000 0.00000000000000 6.941 > 4 5 Li 0.83897427986180 0.00000000000000 0.50000000000000 6.941 > 5 6 Li 0.16102572013820 0.00000000000000 0.00000000000000 6.941 > 6 7 Li 0.35184321882796 0.22723058780371 0.75000000000000 6.941 > 7 8 Li 0.64815678117204 0.77276941219629 0.25000000000000 6.941 > 8 9 Li 0.85184321882796 0.27276941219629 0.25000000000000 6.941 > 1 10 Li 0.14815678117204 0.72723058780371 0.75000000000000 6.941 > 2 11 Li 0.66102572013820 0.50000000000000 0.50000000000000 6.941 > 3 12 Li 0.33897427986180 0.50000000000000 0.00000000000000 6.941 > 4 13 Li 0.33897427986180 0.50000000000000 0.50000000000000 6.941 > 5 14 Li 0.66102572013820 0.50000000000000 0.00000000000000 6.941 > 6 15 Li 0.85184321882796 0.72723058780371 0.75000000000000 6.941 > 7 16 Li 0.14815678117204 0.27276941219629 0.25000000000000 6.941 > 8 *17 O 0.30428097717514 0.96312369984890 0.75000000000000 15.999 > 9 18 O 0.69571902282486 0.03687630015110 0.25000000000000 15.999 > 10 *19 O 0.50000000000000 0.70393969145045 0.50570358385461 15.999 > 11 20 O 0.50000000000000 0.29606030854955 0.00570358385461 15.999 > 12 21 O 0.50000000000000 0.70393969145045 0.99429641614539 15.999 > 13 22 O 0.50000000000000 0.29606030854955 0.49429641614539 15.999 > 14 23 O 0.69571902282486 0.96312369984890 0.75000000000000 15.999 > 15 24 O 0.30428097717514 0.03687630015110 0.25000000000000 15.999 > 16 25 O 0.80428097717514 0.46312369984890 0.75000000000000 15.999 > 9 26 O 0.19571902282486 0.53687630015110 0.25000000000000 15.999 > 10 27 O 0.00000000000000 0.20393969145046 0.50570358385461 15.999 > 11 28 O 0.00000000000000 0.79606030854955 0.00570358385461 15.999 > 12 29 O 0.00000000000000 0.20393969145046 0.99429641614539 15.999 > 13 30 O 0.00000000000000 0.79606030854955 0.49429641614539 15.999 > 14 31 O 0.19571902282486 0.46312369984890 0.75000000000000 15.999 > 15 32 O 0.80428097717514 0.53687630015110 0.25000000000000 15.999 > 16 *33 Ge 0.50000000000000 0.15995484704116 0.25000000000000 72.640 > 17 34 Ge 0.50000000000000 0.84004515295884 0.75000000000000 72.640 > 18 35 Ge 0.00000000000000 0.65995484704116 0.25000000000000 72.640 > 17 36 Ge 0.00000000000000 0.34004515295884 0.75000000000000 72.640 > 18-------------------------------- super cell --------------------------------Lattice vectors: a 7.770208470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.631261320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.073659660000004Atomic positions (fractional): *1 Li 0.35184321882796 0.38638470609815 0.12500000000000 6.941 > 1 2 Li 0.35184321882796 0.88638470609815 0.12500000000000 6.941 > 1 3 Li 0.35184321882796 0.38638470609815 0.62500000000000 6.941 > 1 4 Li 0.35184321882796 0.88638470609815 0.62500000000000 6.941 > 1 5 Li 0.64815678117204 0.11361529390185 0.37500000000000 6.941 > 2 6 Li 0.64815678117204 0.61361529390185 0.37500000000000 6.941 > 2 7 Li 0.64815678117204 0.11361529390185 0.87500000000000 6.941 > 2 8 Li 0.64815678117204 0.61361529390185 0.87500000000000 6.941 > 2 *9 Li 0.16102572013820 0.00000000000000 0.25000000000000 6.941 > 3 10 Li 0.16102572013820 0.50000000000000 0.25000000000000 6.941 > 3 11 Li 0.16102572013820 0.00000000000000 0.75000000000000 6.941 > 3 12 Li 0.16102572013820 0.50000000000000 0.75000000000000 6.941 > 3 13 Li 0.83897427986180 0.00000000000000 0.00000000000000 6.941 > 4 14 Li 0.83897427986180 0.50000000000000 0.00000000000000 6.941 > 4 15 Li 0.83897427986180 0.00000000000000 0.50000000000000 6.941 > 4 16 Li 0.83897427986180 0.50000000000000 0.50000000000000 6.941 > 4 17 Li 0.83897427986180 0.00000000000000 0.25000000000000 6.941 > 5 18 Li 0.83897427986180 0.50000000000000 0.25000000000000 6.941 > 5 19 Li 0.83897427986180 0.00000000000000 0.75000000000000 6.941 > 5 20 Li 0.83897427986180 0.50000000000000 0.75000000000000 6.941 > 5 21 Li 0.16102572013820 0.00000000000000 0.00000000000000 6.941 > 6 22 Li 0.16102572013820 0.50000000000000 0.00000000000000 6.941 > 6 23 Li 0.16102572013820 0.00000000000000 0.50000000000000 6.941 > 6 24 Li 0.16102572013820 0.50000000000000 0.50000000000000 6.941 > 6 25 Li 0.35184321882796 0.11361529390185 0.37500000000000 6.941 > 7 26 Li 0.35184321882796 0.61361529390185 0.37500000000000 6.941 > 7 27 Li 0.35184321882796 0.11361529390185 0.87500000000000 6.941 > 7 28 Li 0.35184321882796 0.61361529390185 0.87500000000000 6.941 > 7 29 Li 0.64815678117204 0.38638470609815 0.12500000000000 6.941 > 8 30 Li 0.64815678117204 0.88638470609815 0.12500000000000 6.941 > 8 31 Li 0.64815678117204 0.38638470609815 0.62500000000000 6.941 > 8 32 Li 0.64815678117204 0.88638470609815 0.62500000000000 6.941 > 8 33 Li 0.85184321882796 0.13638470609815 0.12500000000000 6.941 > 1 34 Li 0.85184321882796 0.63638470609815 0.12500000000000 6.941 > 1 35 Li 0.85184321882796 0.13638470609815 0.62500000000000 6.941 > 1 36 Li 0.85184321882796 0.63638470609815 0.62500000000000 6.941 > 1 37 Li 0.14815678117204 0.36361529390185 0.37500000000000 6.941 > 2 38 Li 0.14815678117204 0.86361529390185 0.37500000000000 6.941 > 2 39 Li 0.14815678117204 0.36361529390185 0.87500000000000 6.941 > 2 40 Li 0.14815678117204 0.86361529390185 0.87500000000000 6.941 > 2 41 Li 0.66102572013820 0.25000000000000 0.25000000000000 6.941 > 3 42 Li 0.66102572013820 0.75000000000000 0.25000000000000 6.941 > 3 43 Li 0.66102572013820 0.25000000000000 0.75000000000000 6.941 > 3 44 Li 0.66102572013820 0.75000000000000 0.75000000000000 6.941 > 3 45 Li 0.33897427986180 0.25000000000000 0.00000000000000 6.941 > 4 46 Li 0.33897427986180 0.75000000000000 0.00000000000000 6.941 > 4 47 Li 0.33897427986180 0.25000000000000 0.50000000000000 6.941 > 4 48 Li 0.33897427986180 0.75000000000000 0.50000000000000 6.941 > 4 49 Li 0.33897427986180 0.25000000000000 0.25000000000000 6.941 > 5 50 Li 0.33897427986180 0.75000000000000 0.25000000000000 6.941 > 5 51 Li 0.33897427986180 0.25000000000000 0.75000000000000 6.941 > 5 52 Li 0.33897427986180 0.75000000000000 0.75000000000000 6.941 > 5 53 Li 0.66102572013820 0.25000000000000 0.00000000000000 6.941 > 6 54 Li 0.66102572013820 0.75000000000000 0.00000000000000 6.941 > 6 55 Li 0.66102572013820 0.25000000000000 0.50000000000000 6.941 > 6 56 Li 0.66102572013820 0.75000000000000 0.50000000000000 6.941 > 6 57 Li 0.85184321882796 0.36361529390185 0.37500000000000 6.941 > 7 58 Li 0.85184321882796 0.86361529390185 0.37500000000000 6.941 > 7 59 Li 0.85184321882796 0.36361529390185 0.87500000000000 6.941 > 7 60 Li 0.85184321882796 0.86361529390185 0.87500000000000 6.941 > 7 61 Li 0.14815678117204 0.13638470609815 0.12500000000000 6.941 > 8 62 Li 0.14815678117204 0.63638470609815 0.12500000000000 6.941 > 8 63 Li 0.14815678117204 0.13638470609815 0.62500000000000 6.941 > 8 64 Li 0.14815678117204 0.63638470609815 0.62500000000000 6.941 > 8 *65 O 0.30428097717514 0.48156184992445 0.37500000000000 15.999 > 9 66 O 0.30428097717514 0.98156184992445 0.37500000000000 15.999 > 9 67 O 0.30428097717514 0.48156184992445 0.87500000000000 15.999 > 9 68 O 0.30428097717514 0.98156184992445 0.87500000000000 15.999 > 9 69 O 0.69571902282486 0.01843815007555 0.12500000000000 15.999 > 10 70 O 0.69571902282486 0.51843815007555 0.12500000000000 15.999 > 10 71 O 0.69571902282486 0.01843815007555 0.62500000000000 15.999 > 10 72 O 0.69571902282486 0.51843815007555 0.62500000000000 15.999 > 10 *73 O 0.50000000000000 0.35196984572523 0.25285179192730 15.999 > 11 74 O 0.50000000000000 0.85196984572523 0.25285179192730 15.999 > 11 75 O 0.50000000000000 0.35196984572523 0.75285179192730 15.999 > 11 76 O 0.50000000000000 0.85196984572523 0.75285179192730 15.999 > 11 77 O 0.50000000000000 0.14803015427477 0.00285179192730 15.999 > 12 78 O 0.50000000000000 0.64803015427477 0.00285179192730 15.999 > 12 79 O 0.50000000000000 0.14803015427477 0.50285179192730 15.999 > 12 80 O 0.50000000000000 0.64803015427477 0.50285179192730 15.999 > 12 81 O 0.50000000000000 0.35196984572523 0.49714820807270 15.999 > 13 82 O 0.50000000000000 0.85196984572523 0.49714820807270 15.999 > 13 83 O 0.50000000000000 0.35196984572523 0.99714820807270 15.999 > 13 84 O 0.50000000000000 0.85196984572523 0.99714820807270 15.999 > 13 85 O 0.50000000000000 0.14803015427477 0.24714820807270 15.999 > 14 86 O 0.50000000000000 0.64803015427477 0.24714820807270 15.999 > 14 87 O 0.50000000000000 0.14803015427477 0.74714820807270 15.999 > 14 88 O 0.50000000000000 0.64803015427477 0.74714820807270 15.999 > 14 89 O 0.69571902282486 0.48156184992445 0.37500000000000 15.999 > 15 90 O 0.69571902282486 0.98156184992445 0.37500000000000 15.999 > 15 91 O 0.69571902282486 0.48156184992445 0.87500000000000 15.999 > 15 92 O 0.69571902282486 0.98156184992445 0.87500000000000 15.999 > 15 93 O 0.30428097717514 0.01843815007555 0.12500000000000 15.999 > 16 94 O 0.30428097717514 0.51843815007555 0.12500000000000 15.999 > 16 95 O 0.30428097717514 0.01843815007555 0.62500000000000 15.999 > 16 96 O 0.30428097717514 0.51843815007555 0.62500000000000 15.999 > 16 97 O 0.80428097717514 0.23156184992445 0.37500000000000 15.999 > 9 98 O 0.80428097717514 0.73156184992445 0.37500000000000 15.999 > 9 99 O 0.80428097717514 0.23156184992445 0.87500000000000 15.999 > 9 100 O 0.80428097717514 0.73156184992445 0.87500000000000 15.999 > 9 101 O 0.19571902282486 0.26843815007555 0.12500000000000 15.999 > 10 102 O 0.19571902282486 0.76843815007555 0.12500000000000 15.999 > 10 103 O 0.19571902282486 0.26843815007555 0.62500000000000 15.999 > 10 104 O 0.19571902282486 0.76843815007555 0.62500000000000 15.999 > 10 105 O 0.00000000000000 0.10196984572523 0.25285179192730 15.999 > 11 106 O 0.00000000000000 0.60196984572523 0.25285179192730 15.999 > 11 107 O 0.00000000000000 0.10196984572523 0.75285179192730 15.999 > 11 108 O 0.00000000000000 0.60196984572523 0.75285179192730 15.999 > 11 109 O 0.00000000000000 0.39803015427477 0.00285179192730 15.999 > 12 110 O 0.00000000000000 0.89803015427477 0.00285179192730 15.999 > 12 111 O 0.00000000000000 0.39803015427477 0.50285179192730 15.999 > 12 112 O 0.00000000000000 0.89803015427477 0.50285179192730 15.999 > 12 113 O 0.00000000000000 0.10196984572523 0.49714820807270 15.999 > 13 114 O 0.00000000000000 0.60196984572523 0.49714820807270 15.999 > 13 115 O 0.00000000000000 0.10196984572523 0.99714820807270 15.999 > 13 116 O 0.00000000000000 0.60196984572523 0.99714820807270 15.999 > 13 117 O 0.00000000000000 0.39803015427477 0.24714820807270 15.999 > 14 118 O 0.00000000000000 0.89803015427477 0.24714820807270 15.999 > 14 119 O 0.00000000000000 0.39803015427477 0.74714820807270 15.999 > 14 120 O 0.00000000000000 0.89803015427477 0.74714820807270 15.999 > 14 121 O 0.19571902282486 0.23156184992445 0.37500000000000 15.999 > 15 122 O 0.19571902282486 0.73156184992445 0.37500000000000 15.999 > 15 123 O 0.19571902282486 0.23156184992445 0.87500000000000 15.999 > 15 124 O 0.19571902282486 0.73156184992445 0.87500000000000 15.999 > 15 125 O 0.80428097717514 0.26843815007555 0.12500000000000 15.999 > 16 126 O 0.80428097717514 0.76843815007555 0.12500000000000 15.999 > 16 127 O 0.80428097717514 0.26843815007555 0.62500000000000 15.999 > 16 128 O 0.80428097717514 0.76843815007555 0.62500000000000 15.999 > 16 *129 Ge 0.50000000000000 0.07997742352058 0.12500000000000 72.640 > 17 130 Ge 0.50000000000000 0.57997742352058 0.12500000000000 72.640 > 17 131 Ge 0.50000000000000 0.07997742352058 0.62500000000000 72.640 > 17 132 Ge 0.50000000000000 0.57997742352058 0.62500000000000 72.640 > 17 133 Ge 0.50000000000000 0.42002257647942 0.37500000000000 72.640 > 18 134 Ge 0.50000000000000 0.92002257647942 0.37500000000000 72.640 > 18 135 Ge 0.50000000000000 0.42002257647942 0.87500000000000 72.640 > 18 136 Ge 0.50000000000000 0.92002257647942 0.87500000000000 72.640 > 18 137 Ge 0.00000000000000 0.32997742352058 0.12500000000000 72.640 > 17 138 Ge 0.00000000000000 0.82997742352058 0.12500000000000 72.640 > 17 139 Ge 0.00000000000000 0.32997742352058 0.62500000000000 72.640 > 17 140 Ge 0.00000000000000 0.82997742352058 0.62500000000000 72.640 > 17 141 Ge 0.00000000000000 0.17002257647942 0.37500000000000 72.640 > 18 142 Ge 0.00000000000000 0.67002257647942 0.37500000000000 72.640 > 18 143 Ge 0.00000000000000 0.17002257647942 0.87500000000000 72.640 > 18 144 Ge 0.00000000000000 0.67002257647942 0.87500000000000 72.640 > 18----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.0607022 0.0000000 0.0000000 0.0000000 2.9273873 0.0000000 0.0000000 0.0000000 2.9920184-------------------------- Born effective charges -------------------------- 1 Li 1.0242031 0.1738471 0.0000000 0.0934229 0.9906782 0.0000000 0.0000000 0.0000000 1.0876359 2 Li 1.0242031 0.1738471 0.0000000 0.0934229 0.9906782 0.0000000 0.0000000 0.0000000 1.0876359 3 Li 1.0854054 0.0000000 0.0000000 0.0000000 1.0026338 -0.1299876 0.0000000 0.0825961 0.9069083 4 Li 1.0854054 0.0000000 0.0000000 0.0000000 1.0026338 0.1299876 0.0000000 -0.0825961 0.9069083 5 Li 1.0854054 0.0000000 0.0000000 0.0000000 1.0026338 -0.1299876 0.0000000 0.0825961 0.9069083 6 Li 1.0854054 0.0000000 0.0000000 0.0000000 1.0026338 0.1299876 0.0000000 -0.0825961 0.9069083 7 Li 1.0242031 -0.1738471 0.0000000 -0.0934229 0.9906782 0.0000000 0.0000000 0.0000000 1.0876359 8 Li 1.0242031 -0.1738471 0.0000000 -0.0934229 0.9906782 0.0000000 0.0000000 0.0000000 1.0876359 9 O -1.9669915 0.2923434 0.0000000 0.3426855 -1.6555832 0.0000000 0.0000000 0.0000000 -1.4695834 10 O -1.9669915 0.2923434 0.0000000 0.3426855 -1.6555832 0.0000000 0.0000000 0.0000000 -1.4695834 11 O -1.5410247 0.0000000 0.0000000 0.0000000 -1.6767890 -0.2527628 0.0000000 -0.3356531 -2.0239504 12 O -1.5410247 0.0000000 0.0000000 0.0000000 -1.6767890 0.2527628 0.0000000 0.3356531 -2.0239504 13 O -1.5410247 0.0000000 0.0000000 0.0000000 -1.6767890 0.2527628 0.0000000 0.3356531 -2.0239504 14 O -1.5410247 0.0000000 0.0000000 0.0000000 -1.6767890 -0.2527628 0.0000000 -0.3356531 -2.0239504 15 O -1.9669915 -0.2923434 0.0000000 -0.3426855 -1.6555832 0.0000000 0.0000000 0.0000000 -1.4695834 16 O -1.9669915 -0.2923434 0.0000000 -0.3426855 -1.6555832 0.0000000 0.0000000 0.0000000 -1.4695834 17 Ge 2.7968154 0.0000000 0.0000000 0.0000000 2.6781203 0.0000000 0.0000000 0.0000000 2.9979791 18 Ge 2.7968154 0.0000000 0.0000000 0.0000000 2.6781203 0.0000000 0.0000000 0.0000000 2.9979791----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 432/432Permutation basis: 14256/14256Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1612Number of blocks in projector: 1612Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 332Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 312Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 244Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 244Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 244Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 236Use standard eigh solver.Tree of FC basis block matrices:- (1612, 1589), data: False|-- (236, 236), data: True|-- (244, 239), data: True|-- (244, 239), data: True|-- (244, 239), data: True|-- (312, 308), data: True|-- (332, 328), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.014Solver_block: 100 / 320 - Time: 3.109Solver_block: 200 / 320 - Time: 3.131Solver_block: 300 / 320 - Time: 3.125Solver_block: 320 / 320 - Time: 0.741Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.276--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432Permutation basis: 14256/14256Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1612Number of blocks in projector: 1612Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 332Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 312Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 244Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 244Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 244Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 236Use standard eigh solver.Tree of FC basis block matrices:- (1612, 1589), data: False|-- (236, 236), data: True|-- (244, 239), data: True|-- (244, 239), data: True|-- (244, 239), data: True|-- (312, 308), data: True|-- (332, 328), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 20:18:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 20:18:27]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 2 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.885104235000000 -3.657815330000000 0.000000000000000 b 3.885104235000000 3.657815330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.036829830000002Atomic positions (fractional): 1 Li 0.57907380663166 0.12461263102425 0.25000000000000 6.941 2 Li 0.42092619336834 0.87538736897575 0.75000000000000 6.941 3 Li 0.16102572013820 0.16102572013820 0.50000000000000 6.941 4 Li 0.83897427986180 0.83897427986180 0.00000000000000 6.941 5 Li 0.83897427986180 0.83897427986180 0.50000000000000 6.941 6 Li 0.16102572013820 0.16102572013820 0.00000000000000 6.941 7 Li 0.12461263102425 0.57907380663166 0.75000000000000 6.941 8 Li 0.87538736897575 0.42092619336834 0.25000000000000 6.941 9 O 0.34115727732624 0.26740467702405 0.75000000000000 15.999 10 O 0.65884272267376 0.73259532297595 0.25000000000000 15.999 11 O 0.79606030854955 0.20393969145045 0.50570358385461 15.999 12 O 0.20393969145045 0.79606030854955 0.00570358385461 15.999 13 O 0.79606030854955 0.20393969145045 0.99429641614539 15.999 14 O 0.20393969145045 0.79606030854955 0.49429641614539 15.999 15 O 0.73259532297595 0.65884272267376 0.75000000000000 15.999 16 O 0.26740467702405 0.34115727732624 0.25000000000000 15.999 17 Ge 0.34004515295884 0.65995484704116 0.25000000000000 72.640 18 Ge 0.65995484704116 0.34004515295884 0.75000000000000 72.640-------------------------------- supercell ---------------------------------Lattice vectors: a 7.770208470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.631261320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.073659660000004Atomic positions (fractional): 1 Li 0.35184321882796 0.38638470609815 0.12500000000000 6.941 > 1 2 Li 0.35184321882796 0.88638470609815 0.12500000000000 6.941 > 1 3 Li 0.35184321882796 0.38638470609815 0.62500000000000 6.941 > 1 4 Li 0.35184321882796 0.88638470609815 0.62500000000000 6.941 > 1 5 Li 0.64815678117204 0.11361529390185 0.37500000000000 6.941 > 5 6 Li 0.64815678117204 0.61361529390185 0.37500000000000 6.941 > 5 7 Li 0.64815678117204 0.11361529390185 0.87500000000000 6.941 > 5 8 Li 0.64815678117204 0.61361529390185 0.87500000000000 6.941 > 5 9 Li 0.16102572013820 0.00000000000000 0.25000000000000 6.941 > 9 10 Li 0.16102572013820 0.50000000000000 0.25000000000000 6.941 > 9 11 Li 0.16102572013820 0.00000000000000 0.75000000000000 6.941 > 9 12 Li 0.16102572013820 0.50000000000000 0.75000000000000 6.941 > 9 13 Li 0.83897427986180 0.00000000000000 0.00000000000000 6.941 > 13 14 Li 0.83897427986180 0.50000000000000 0.00000000000000 6.941 > 13 15 Li 0.83897427986180 0.00000000000000 0.50000000000000 6.941 > 13 16 Li 0.83897427986180 0.50000000000000 0.50000000000000 6.941 > 13 17 Li 0.83897427986180 0.00000000000000 0.25000000000000 6.941 > 17 18 Li 0.83897427986180 0.50000000000000 0.25000000000000 6.941 > 17 19 Li 0.83897427986180 0.00000000000000 0.75000000000000 6.941 > 17 20 Li 0.83897427986180 0.50000000000000 0.75000000000000 6.941 > 17 21 Li 0.16102572013820 0.00000000000000 0.00000000000000 6.941 > 21 22 Li 0.16102572013820 0.50000000000000 0.00000000000000 6.941 > 21 23 Li 0.16102572013820 0.00000000000000 0.50000000000000 6.941 > 21 24 Li 0.16102572013820 0.50000000000000 0.50000000000000 6.941 > 21 25 Li 0.35184321882796 0.11361529390185 0.37500000000000 6.941 > 25 26 Li 0.35184321882796 0.61361529390185 0.37500000000000 6.941 > 25 27 Li 0.35184321882796 0.11361529390185 0.87500000000000 6.941 > 25 28 Li 0.35184321882796 0.61361529390185 0.87500000000000 6.941 > 25 29 Li 0.64815678117204 0.38638470609815 0.12500000000000 6.941 > 29 30 Li 0.64815678117204 0.88638470609815 0.12500000000000 6.941 > 29 31 Li 0.64815678117204 0.38638470609815 0.62500000000000 6.941 > 29 32 Li 0.64815678117204 0.88638470609815 0.62500000000000 6.941 > 29 33 Li 0.85184321882796 0.13638470609815 0.12500000000000 6.941 > 1 34 Li 0.85184321882796 0.63638470609815 0.12500000000000 6.941 > 1 35 Li 0.85184321882796 0.13638470609815 0.62500000000000 6.941 > 1 36 Li 0.85184321882796 0.63638470609815 0.62500000000000 6.941 > 1 37 Li 0.14815678117204 0.36361529390185 0.37500000000000 6.941 > 5 38 Li 0.14815678117204 0.86361529390185 0.37500000000000 6.941 > 5 39 Li 0.14815678117204 0.36361529390185 0.87500000000000 6.941 > 5 40 Li 0.14815678117204 0.86361529390185 0.87500000000000 6.941 > 5 41 Li 0.66102572013820 0.25000000000000 0.25000000000000 6.941 > 9 42 Li 0.66102572013820 0.75000000000000 0.25000000000000 6.941 > 9 43 Li 0.66102572013820 0.25000000000000 0.75000000000000 6.941 > 9 44 Li 0.66102572013820 0.75000000000000 0.75000000000000 6.941 > 9 45 Li 0.33897427986180 0.25000000000000 0.00000000000000 6.941 > 13 46 Li 0.33897427986180 0.75000000000000 0.00000000000000 6.941 > 13 47 Li 0.33897427986180 0.25000000000000 0.50000000000000 6.941 > 13 48 Li 0.33897427986180 0.75000000000000 0.50000000000000 6.941 > 13 49 Li 0.33897427986180 0.25000000000000 0.25000000000000 6.941 > 17 50 Li 0.33897427986180 0.75000000000000 0.25000000000000 6.941 > 17 51 Li 0.33897427986180 0.25000000000000 0.75000000000000 6.941 > 17 52 Li 0.33897427986180 0.75000000000000 0.75000000000000 6.941 > 17 53 Li 0.66102572013820 0.25000000000000 0.00000000000000 6.941 > 21 54 Li 0.66102572013820 0.75000000000000 0.00000000000000 6.941 > 21 55 Li 0.66102572013820 0.25000000000000 0.50000000000000 6.941 > 21 56 Li 0.66102572013820 0.75000000000000 0.50000000000000 6.941 > 21 57 Li 0.85184321882796 0.36361529390185 0.37500000000000 6.941 > 25 58 Li 0.85184321882796 0.86361529390185 0.37500000000000 6.941 > 25 59 Li 0.85184321882796 0.36361529390185 0.87500000000000 6.941 > 25 60 Li 0.85184321882796 0.86361529390185 0.87500000000000 6.941 > 25 61 Li 0.14815678117204 0.13638470609815 0.12500000000000 6.941 > 29 62 Li 0.14815678117204 0.63638470609815 0.12500000000000 6.941 > 29 63 Li 0.14815678117204 0.13638470609815 0.62500000000000 6.941 > 29 64 Li 0.14815678117204 0.63638470609815 0.62500000000000 6.941 > 29 65 O 0.30428097717514 0.48156184992445 0.37500000000000 15.999 > 65 66 O 0.30428097717514 0.98156184992445 0.37500000000000 15.999 > 65 67 O 0.30428097717514 0.48156184992445 0.87500000000000 15.999 > 65 68 O 0.30428097717514 0.98156184992445 0.87500000000000 15.999 > 65 69 O 0.69571902282486 0.01843815007555 0.12500000000000 15.999 > 69 70 O 0.69571902282486 0.51843815007555 0.12500000000000 15.999 > 69 71 O 0.69571902282486 0.01843815007555 0.62500000000000 15.999 > 69 72 O 0.69571902282486 0.51843815007555 0.62500000000000 15.999 > 69 73 O 0.50000000000000 0.35196984572523 0.25285179192730 15.999 > 73 74 O 0.50000000000000 0.85196984572523 0.25285179192730 15.999 > 73 75 O 0.50000000000000 0.35196984572523 0.75285179192730 15.999 > 73 76 O 0.50000000000000 0.85196984572523 0.75285179192730 15.999 > 73 77 O 0.50000000000000 0.14803015427477 0.00285179192730 15.999 > 77 78 O 0.50000000000000 0.64803015427477 0.00285179192730 15.999 > 77 79 O 0.50000000000000 0.14803015427477 0.50285179192730 15.999 > 77 80 O 0.50000000000000 0.64803015427477 0.50285179192730 15.999 > 77 81 O 0.50000000000000 0.35196984572523 0.49714820807270 15.999 > 81 82 O 0.50000000000000 0.85196984572523 0.49714820807270 15.999 > 81 83 O 0.50000000000000 0.35196984572523 0.99714820807270 15.999 > 81 84 O 0.50000000000000 0.85196984572523 0.99714820807270 15.999 > 81 85 O 0.50000000000000 0.14803015427477 0.24714820807270 15.999 > 85 86 O 0.50000000000000 0.64803015427477 0.24714820807270 15.999 > 85 87 O 0.50000000000000 0.14803015427477 0.74714820807270 15.999 > 85 88 O 0.50000000000000 0.64803015427477 0.74714820807270 15.999 > 85 89 O 0.69571902282486 0.48156184992445 0.37500000000000 15.999 > 89 90 O 0.69571902282486 0.98156184992445 0.37500000000000 15.999 > 89 91 O 0.69571902282486 0.48156184992445 0.87500000000000 15.999 > 89 92 O 0.69571902282486 0.98156184992445 0.87500000000000 15.999 > 89 93 O 0.30428097717514 0.01843815007555 0.12500000000000 15.999 > 93 94 O 0.30428097717514 0.51843815007555 0.12500000000000 15.999 > 93 95 O 0.30428097717514 0.01843815007555 0.62500000000000 15.999 > 93 96 O 0.30428097717514 0.51843815007555 0.62500000000000 15.999 > 93 97 O 0.80428097717514 0.23156184992445 0.37500000000000 15.999 > 65 98 O 0.80428097717514 0.73156184992445 0.37500000000000 15.999 > 65 99 O 0.80428097717514 0.23156184992445 0.87500000000000 15.999 > 65 100 O 0.80428097717514 0.73156184992445 0.87500000000000 15.999 > 65 101 O 0.19571902282486 0.26843815007555 0.12500000000000 15.999 > 69 102 O 0.19571902282486 0.76843815007555 0.12500000000000 15.999 > 69 103 O 0.19571902282486 0.26843815007555 0.62500000000000 15.999 > 69 104 O 0.19571902282486 0.76843815007555 0.62500000000000 15.999 > 69 105 O 0.00000000000000 0.10196984572523 0.25285179192730 15.999 > 73 106 O 0.00000000000000 0.60196984572523 0.25285179192730 15.999 > 73 107 O 0.00000000000000 0.10196984572523 0.75285179192730 15.999 > 73 108 O 0.00000000000000 0.60196984572523 0.75285179192730 15.999 > 73 109 O 0.00000000000000 0.39803015427477 0.00285179192730 15.999 > 77 110 O 0.00000000000000 0.89803015427477 0.00285179192730 15.999 > 77 111 O 0.00000000000000 0.39803015427477 0.50285179192730 15.999 > 77 112 O 0.00000000000000 0.89803015427477 0.50285179192730 15.999 > 77 113 O 0.00000000000000 0.10196984572523 0.49714820807270 15.999 > 81 114 O 0.00000000000000 0.60196984572523 0.49714820807270 15.999 > 81 115 O 0.00000000000000 0.10196984572523 0.99714820807270 15.999 > 81 116 O 0.00000000000000 0.60196984572523 0.99714820807270 15.999 > 81 117 O 0.00000000000000 0.39803015427477 0.24714820807270 15.999 > 85 118 O 0.00000000000000 0.89803015427477 0.24714820807270 15.999 > 85 119 O 0.00000000000000 0.39803015427477 0.74714820807270 15.999 > 85 120 O 0.00000000000000 0.89803015427477 0.74714820807270 15.999 > 85 121 O 0.19571902282486 0.23156184992445 0.37500000000000 15.999 > 89 122 O 0.19571902282486 0.73156184992445 0.37500000000000 15.999 > 89 123 O 0.19571902282486 0.23156184992445 0.87500000000000 15.999 > 89 124 O 0.19571902282486 0.73156184992445 0.87500000000000 15.999 > 89 125 O 0.80428097717514 0.26843815007555 0.12500000000000 15.999 > 93 126 O 0.80428097717514 0.76843815007555 0.12500000000000 15.999 > 93 127 O 0.80428097717514 0.26843815007555 0.62500000000000 15.999 > 93 128 O 0.80428097717514 0.76843815007555 0.62500000000000 15.999 > 93 129 Ge 0.50000000000000 0.07997742352058 0.12500000000000 72.640 > 129 130 Ge 0.50000000000000 0.57997742352058 0.12500000000000 72.640 > 129 131 Ge 0.50000000000000 0.07997742352058 0.62500000000000 72.640 > 129 132 Ge 0.50000000000000 0.57997742352058 0.62500000000000 72.640 > 129 133 Ge 0.50000000000000 0.42002257647942 0.37500000000000 72.640 > 133 134 Ge 0.50000000000000 0.92002257647942 0.37500000000000 72.640 > 133 135 Ge 0.50000000000000 0.42002257647942 0.87500000000000 72.640 > 133 136 Ge 0.50000000000000 0.92002257647942 0.87500000000000 72.640 > 133 137 Ge 0.00000000000000 0.32997742352058 0.12500000000000 72.640 > 129 138 Ge 0.00000000000000 0.82997742352058 0.12500000000000 72.640 > 129 139 Ge 0.00000000000000 0.32997742352058 0.62500000000000 72.640 > 129 140 Ge 0.00000000000000 0.82997742352058 0.62500000000000 72.640 > 129 141 Ge 0.00000000000000 0.17002257647942 0.37500000000000 72.640 > 133 142 Ge 0.00000000000000 0.67002257647942 0.37500000000000 72.640 > 133 143 Ge 0.00000000000000 0.17002257647942 0.87500000000000 72.640 > 133 144 Ge 0.00000000000000 0.67002257647942 0.87500000000000 72.640 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.0607022 0.0000000 0.0000000 0.0000000 2.9273873 0.0000000 0.0000000 0.0000000 2.9920184-------------------------- Born effective charges -------------------------- 1 Li 1.0242031 0.1738471 0.0000000 0.0934229 0.9906782 0.0000000 0.0000000 0.0000000 1.0876359 2 Li 1.0242031 0.1738471 0.0000000 0.0934229 0.9906782 0.0000000 0.0000000 0.0000000 1.0876359 3 Li 1.0854054 0.0000000 0.0000000 0.0000000 1.0026338 -0.1299876 0.0000000 0.0825961 0.9069083 4 Li 1.0854054 0.0000000 0.0000000 0.0000000 1.0026338 0.1299876 0.0000000 -0.0825961 0.9069083 5 Li 1.0854054 0.0000000 0.0000000 0.0000000 1.0026338 -0.1299876 0.0000000 0.0825961 0.9069083 6 Li 1.0854054 0.0000000 0.0000000 0.0000000 1.0026338 0.1299876 0.0000000 -0.0825961 0.9069083 7 Li 1.0242031 -0.1738471 0.0000000 -0.0934229 0.9906782 0.0000000 0.0000000 0.0000000 1.0876359 8 Li 1.0242031 -0.1738471 0.0000000 -0.0934229 0.9906782 0.0000000 0.0000000 0.0000000 1.0876359 9 O -1.9669915 0.2923434 0.0000000 0.3426855 -1.6555832 0.0000000 0.0000000 0.0000000 -1.4695834 10 O -1.9669915 0.2923434 0.0000000 0.3426855 -1.6555832 0.0000000 0.0000000 0.0000000 -1.4695834 11 O -1.5410247 0.0000000 0.0000000 0.0000000 -1.6767890 -0.2527628 0.0000000 -0.3356531 -2.0239504 12 O -1.5410247 0.0000000 0.0000000 0.0000000 -1.6767890 0.2527628 0.0000000 0.3356531 -2.0239504 13 O -1.5410247 0.0000000 0.0000000 0.0000000 -1.6767890 0.2527628 0.0000000 0.3356531 -2.0239504 14 O -1.5410247 0.0000000 0.0000000 0.0000000 -1.6767890 -0.2527628 0.0000000 -0.3356531 -2.0239504 15 O -1.9669915 -0.2923434 0.0000000 -0.3426855 -1.6555832 0.0000000 0.0000000 0.0000000 -1.4695834 16 O -1.9669915 -0.2923434 0.0000000 -0.3426855 -1.6555832 0.0000000 0.0000000 0.0000000 -1.4695834 17 Ge 2.7968154 0.0000000 0.0000000 0.0000000 2.6781203 0.0000000 0.0000000 0.0000000 2.9979791 18 Ge 2.7968154 0.0000000 0.0000000 0.0000000 2.6781203 0.0000000 0.0000000 0.0000000 2.9979791----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 9, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 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[ 129, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 20:18:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 20:18:54]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 2 2]Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.]Spacegroup: Cmcm (63)------------------------------ primitive cell ------------------------------Lattice vectors: a 3.885104235000000 -3.657815330000000 0.000000000000000 b 3.885104235000000 3.657815330000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.036829830000002Atomic positions (fractional): 1 Li 0.57907380663166 0.12461263102425 0.25000000000000 6.941 2 Li 0.42092619336834 0.87538736897575 0.75000000000000 6.941 3 Li 0.16102572013820 0.16102572013820 0.50000000000000 6.941 4 Li 0.83897427986180 0.83897427986180 0.00000000000000 6.941 5 Li 0.83897427986180 0.83897427986180 0.50000000000000 6.941 6 Li 0.16102572013820 0.16102572013820 0.00000000000000 6.941 7 Li 0.12461263102425 0.57907380663166 0.75000000000000 6.941 8 Li 0.87538736897575 0.42092619336834 0.25000000000000 6.941 9 O 0.34115727732624 0.26740467702405 0.75000000000000 15.999 10 O 0.65884272267376 0.73259532297595 0.25000000000000 15.999 11 O 0.79606030854955 0.20393969145045 0.50570358385461 15.999 12 O 0.20393969145045 0.79606030854955 0.00570358385461 15.999 13 O 0.79606030854955 0.20393969145045 0.99429641614539 15.999 14 O 0.20393969145045 0.79606030854955 0.49429641614539 15.999 15 O 0.73259532297595 0.65884272267376 0.75000000000000 15.999 16 O 0.26740467702405 0.34115727732624 0.25000000000000 15.999 17 Ge 0.34004515295884 0.65995484704116 0.25000000000000 72.640 18 Ge 0.65995484704116 0.34004515295884 0.75000000000000 72.640-------------------------------- supercell ---------------------------------Lattice vectors: a 7.770208470000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.631261320000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.073659660000004Atomic positions (fractional): 1 Li 0.35184321882796 0.38638470609815 0.12500000000000 6.941 > 1 2 Li 0.35184321882796 0.88638470609815 0.12500000000000 6.941 > 1 3 Li 0.35184321882796 0.38638470609815 0.62500000000000 6.941 > 1 4 Li 0.35184321882796 0.88638470609815 0.62500000000000 6.941 > 1 5 Li 0.64815678117204 0.11361529390185 0.37500000000000 6.941 > 5 6 Li 0.64815678117204 0.61361529390185 0.37500000000000 6.941 > 5 7 Li 0.64815678117204 0.11361529390185 0.87500000000000 6.941 > 5 8 Li 0.64815678117204 0.61361529390185 0.87500000000000 6.941 > 5 9 Li 0.16102572013820 0.00000000000000 0.25000000000000 6.941 > 9 10 Li 0.16102572013820 0.50000000000000 0.25000000000000 6.941 > 9 11 Li 0.16102572013820 0.00000000000000 0.75000000000000 6.941 > 9 12 Li 0.16102572013820 0.50000000000000 0.75000000000000 6.941 > 9 13 Li 0.83897427986180 0.00000000000000 0.00000000000000 6.941 > 13 14 Li 0.83897427986180 0.50000000000000 0.00000000000000 6.941 > 13 15 Li 0.83897427986180 0.00000000000000 0.50000000000000 6.941 > 13 16 Li 0.83897427986180 0.50000000000000 0.50000000000000 6.941 > 13 17 Li 0.83897427986180 0.00000000000000 0.25000000000000 6.941 > 17 18 Li 0.83897427986180 0.50000000000000 0.25000000000000 6.941 > 17 19 Li 0.83897427986180 0.00000000000000 0.75000000000000 6.941 > 17 20 Li 0.83897427986180 0.50000000000000 0.75000000000000 6.941 > 17 21 Li 0.16102572013820 0.00000000000000 0.00000000000000 6.941 > 21 22 Li 0.16102572013820 0.50000000000000 0.00000000000000 6.941 > 21 23 Li 0.16102572013820 0.00000000000000 0.50000000000000 6.941 > 21 24 Li 0.16102572013820 0.50000000000000 0.50000000000000 6.941 > 21 25 Li 0.35184321882796 0.11361529390185 0.37500000000000 6.941 > 25 26 Li 0.35184321882796 0.61361529390185 0.37500000000000 6.941 > 25 27 Li 0.35184321882796 0.11361529390185 0.87500000000000 6.941 > 25 28 Li 0.35184321882796 0.61361529390185 0.87500000000000 6.941 > 25 29 Li 0.64815678117204 0.38638470609815 0.12500000000000 6.941 > 29 30 Li 0.64815678117204 0.88638470609815 0.12500000000000 6.941 > 29 31 Li 0.64815678117204 0.38638470609815 0.62500000000000 6.941 > 29 32 Li 0.64815678117204 0.88638470609815 0.62500000000000 6.941 > 29 33 Li 0.85184321882796 0.13638470609815 0.12500000000000 6.941 > 1 34 Li 0.85184321882796 0.63638470609815 0.12500000000000 6.941 > 1 35 Li 0.85184321882796 0.13638470609815 0.62500000000000 6.941 > 1 36 Li 0.85184321882796 0.63638470609815 0.62500000000000 6.941 > 1 37 Li 0.14815678117204 0.36361529390185 0.37500000000000 6.941 > 5 38 Li 0.14815678117204 0.86361529390185 0.37500000000000 6.941 > 5 39 Li 0.14815678117204 0.36361529390185 0.87500000000000 6.941 > 5 40 Li 0.14815678117204 0.86361529390185 0.87500000000000 6.941 > 5 41 Li 0.66102572013820 0.25000000000000 0.25000000000000 6.941 > 9 42 Li 0.66102572013820 0.75000000000000 0.25000000000000 6.941 > 9 43 Li 0.66102572013820 0.25000000000000 0.75000000000000 6.941 > 9 44 Li 0.66102572013820 0.75000000000000 0.75000000000000 6.941 > 9 45 Li 0.33897427986180 0.25000000000000 0.00000000000000 6.941 > 13 46 Li 0.33897427986180 0.75000000000000 0.00000000000000 6.941 > 13 47 Li 0.33897427986180 0.25000000000000 0.50000000000000 6.941 > 13 48 Li 0.33897427986180 0.75000000000000 0.50000000000000 6.941 > 13 49 Li 0.33897427986180 0.25000000000000 0.25000000000000 6.941 > 17 50 Li 0.33897427986180 0.75000000000000 0.25000000000000 6.941 > 17 51 Li 0.33897427986180 0.25000000000000 0.75000000000000 6.941 > 17 52 Li 0.33897427986180 0.75000000000000 0.75000000000000 6.941 > 17 53 Li 0.66102572013820 0.25000000000000 0.00000000000000 6.941 > 21 54 Li 0.66102572013820 0.75000000000000 0.00000000000000 6.941 > 21 55 Li 0.66102572013820 0.25000000000000 0.50000000000000 6.941 > 21 56 Li 0.66102572013820 0.75000000000000 0.50000000000000 6.941 > 21 57 Li 0.85184321882796 0.36361529390185 0.37500000000000 6.941 > 25 58 Li 0.85184321882796 0.86361529390185 0.37500000000000 6.941 > 25 59 Li 0.85184321882796 0.36361529390185 0.87500000000000 6.941 > 25 60 Li 0.85184321882796 0.86361529390185 0.87500000000000 6.941 > 25 61 Li 0.14815678117204 0.13638470609815 0.12500000000000 6.941 > 29 62 Li 0.14815678117204 0.63638470609815 0.12500000000000 6.941 > 29 63 Li 0.14815678117204 0.13638470609815 0.62500000000000 6.941 > 29 64 Li 0.14815678117204 0.63638470609815 0.62500000000000 6.941 > 29 65 O 0.30428097717514 0.48156184992445 0.37500000000000 15.999 > 65 66 O 0.30428097717514 0.98156184992445 0.37500000000000 15.999 > 65 67 O 0.30428097717514 0.48156184992445 0.87500000000000 15.999 > 65 68 O 0.30428097717514 0.98156184992445 0.87500000000000 15.999 > 65 69 O 0.69571902282486 0.01843815007555 0.12500000000000 15.999 > 69 70 O 0.69571902282486 0.51843815007555 0.12500000000000 15.999 > 69 71 O 0.69571902282486 0.01843815007555 0.62500000000000 15.999 > 69 72 O 0.69571902282486 0.51843815007555 0.62500000000000 15.999 > 69 73 O 0.50000000000000 0.35196984572523 0.25285179192730 15.999 > 73 74 O 0.50000000000000 0.85196984572523 0.25285179192730 15.999 > 73 75 O 0.50000000000000 0.35196984572523 0.75285179192730 15.999 > 73 76 O 0.50000000000000 0.85196984572523 0.75285179192730 15.999 > 73 77 O 0.50000000000000 0.14803015427477 0.00285179192730 15.999 > 77 78 O 0.50000000000000 0.64803015427477 0.00285179192730 15.999 > 77 79 O 0.50000000000000 0.14803015427477 0.50285179192730 15.999 > 77 80 O 0.50000000000000 0.64803015427477 0.50285179192730 15.999 > 77 81 O 0.50000000000000 0.35196984572523 0.49714820807270 15.999 > 81 82 O 0.50000000000000 0.85196984572523 0.49714820807270 15.999 > 81 83 O 0.50000000000000 0.35196984572523 0.99714820807270 15.999 > 81 84 O 0.50000000000000 0.85196984572523 0.99714820807270 15.999 > 81 85 O 0.50000000000000 0.14803015427477 0.24714820807270 15.999 > 85 86 O 0.50000000000000 0.64803015427477 0.24714820807270 15.999 > 85 87 O 0.50000000000000 0.14803015427477 0.74714820807270 15.999 > 85 88 O 0.50000000000000 0.64803015427477 0.74714820807270 15.999 > 85 89 O 0.69571902282486 0.48156184992445 0.37500000000000 15.999 > 89 90 O 0.69571902282486 0.98156184992445 0.37500000000000 15.999 > 89 91 O 0.69571902282486 0.48156184992445 0.87500000000000 15.999 > 89 92 O 0.69571902282486 0.98156184992445 0.87500000000000 15.999 > 89 93 O 0.30428097717514 0.01843815007555 0.12500000000000 15.999 > 93 94 O 0.30428097717514 0.51843815007555 0.12500000000000 15.999 > 93 95 O 0.30428097717514 0.01843815007555 0.62500000000000 15.999 > 93 96 O 0.30428097717514 0.51843815007555 0.62500000000000 15.999 > 93 97 O 0.80428097717514 0.23156184992445 0.37500000000000 15.999 > 65 98 O 0.80428097717514 0.73156184992445 0.37500000000000 15.999 > 65 99 O 0.80428097717514 0.23156184992445 0.87500000000000 15.999 > 65 100 O 0.80428097717514 0.73156184992445 0.87500000000000 15.999 > 65 101 O 0.19571902282486 0.26843815007555 0.12500000000000 15.999 > 69 102 O 0.19571902282486 0.76843815007555 0.12500000000000 15.999 > 69 103 O 0.19571902282486 0.26843815007555 0.62500000000000 15.999 > 69 104 O 0.19571902282486 0.76843815007555 0.62500000000000 15.999 > 69 105 O 0.00000000000000 0.10196984572523 0.25285179192730 15.999 > 73 106 O 0.00000000000000 0.60196984572523 0.25285179192730 15.999 > 73 107 O 0.00000000000000 0.10196984572523 0.75285179192730 15.999 > 73 108 O 0.00000000000000 0.60196984572523 0.75285179192730 15.999 > 73 109 O 0.00000000000000 0.39803015427477 0.00285179192730 15.999 > 77 110 O 0.00000000000000 0.89803015427477 0.00285179192730 15.999 > 77 111 O 0.00000000000000 0.39803015427477 0.50285179192730 15.999 > 77 112 O 0.00000000000000 0.89803015427477 0.50285179192730 15.999 > 77 113 O 0.00000000000000 0.10196984572523 0.49714820807270 15.999 > 81 114 O 0.00000000000000 0.60196984572523 0.49714820807270 15.999 > 81 115 O 0.00000000000000 0.10196984572523 0.99714820807270 15.999 > 81 116 O 0.00000000000000 0.60196984572523 0.99714820807270 15.999 > 81 117 O 0.00000000000000 0.39803015427477 0.24714820807270 15.999 > 85 118 O 0.00000000000000 0.89803015427477 0.24714820807270 15.999 > 85 119 O 0.00000000000000 0.39803015427477 0.74714820807270 15.999 > 85 120 O 0.00000000000000 0.89803015427477 0.74714820807270 15.999 > 85 121 O 0.19571902282486 0.23156184992445 0.37500000000000 15.999 > 89 122 O 0.19571902282486 0.73156184992445 0.37500000000000 15.999 > 89 123 O 0.19571902282486 0.23156184992445 0.87500000000000 15.999 > 89 124 O 0.19571902282486 0.73156184992445 0.87500000000000 15.999 > 89 125 O 0.80428097717514 0.26843815007555 0.12500000000000 15.999 > 93 126 O 0.80428097717514 0.76843815007555 0.12500000000000 15.999 > 93 127 O 0.80428097717514 0.26843815007555 0.62500000000000 15.999 > 93 128 O 0.80428097717514 0.76843815007555 0.62500000000000 15.999 > 93 129 Ge 0.50000000000000 0.07997742352058 0.12500000000000 72.640 > 129 130 Ge 0.50000000000000 0.57997742352058 0.12500000000000 72.640 > 129 131 Ge 0.50000000000000 0.07997742352058 0.62500000000000 72.640 > 129 132 Ge 0.50000000000000 0.57997742352058 0.62500000000000 72.640 > 129 133 Ge 0.50000000000000 0.42002257647942 0.37500000000000 72.640 > 133 134 Ge 0.50000000000000 0.92002257647942 0.37500000000000 72.640 > 133 135 Ge 0.50000000000000 0.42002257647942 0.87500000000000 72.640 > 133 136 Ge 0.50000000000000 0.92002257647942 0.87500000000000 72.640 > 133 137 Ge 0.00000000000000 0.32997742352058 0.12500000000000 72.640 > 129 138 Ge 0.00000000000000 0.82997742352058 0.12500000000000 72.640 > 129 139 Ge 0.00000000000000 0.32997742352058 0.62500000000000 72.640 > 129 140 Ge 0.00000000000000 0.82997742352058 0.62500000000000 72.640 > 129 141 Ge 0.00000000000000 0.17002257647942 0.37500000000000 72.640 > 133 142 Ge 0.00000000000000 0.67002257647942 0.37500000000000 72.640 > 133 143 Ge 0.00000000000000 0.17002257647942 0.87500000000000 72.640 > 133 144 Ge 0.00000000000000 0.67002257647942 0.87500000000000 72.640 > 133----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.0607022 0.0000000 0.0000000 0.0000000 2.9273873 0.0000000 0.0000000 0.0000000 2.9920184-------------------------- Born effective charges -------------------------- 1 Li 1.0242031 0.1738471 0.0000000 0.0934229 0.9906782 0.0000000 0.0000000 0.0000000 1.0876359 2 Li 1.0242031 0.1738471 0.0000000 0.0934229 0.9906782 0.0000000 0.0000000 0.0000000 1.0876359 3 Li 1.0854054 0.0000000 0.0000000 0.0000000 1.0026338 -0.1299876 0.0000000 0.0825961 0.9069083 4 Li 1.0854054 0.0000000 0.0000000 0.0000000 1.0026338 0.1299876 0.0000000 -0.0825961 0.9069083 5 Li 1.0854054 0.0000000 0.0000000 0.0000000 1.0026338 -0.1299876 0.0000000 0.0825961 0.9069083 6 Li 1.0854054 0.0000000 0.0000000 0.0000000 1.0026338 0.1299876 0.0000000 -0.0825961 0.9069083 7 Li 1.0242031 -0.1738471 0.0000000 -0.0934229 0.9906782 0.0000000 0.0000000 0.0000000 1.0876359 8 Li 1.0242031 -0.1738471 0.0000000 -0.0934229 0.9906782 0.0000000 0.0000000 0.0000000 1.0876359 9 O -1.9669915 0.2923434 0.0000000 0.3426855 -1.6555832 0.0000000 0.0000000 0.0000000 -1.4695834 10 O -1.9669915 0.2923434 0.0000000 0.3426855 -1.6555832 0.0000000 0.0000000 0.0000000 -1.4695834 11 O -1.5410247 0.0000000 0.0000000 0.0000000 -1.6767890 -0.2527628 0.0000000 -0.3356531 -2.0239504 12 O -1.5410247 0.0000000 0.0000000 0.0000000 -1.6767890 0.2527628 0.0000000 0.3356531 -2.0239504 13 O -1.5410247 0.0000000 0.0000000 0.0000000 -1.6767890 0.2527628 0.0000000 0.3356531 -2.0239504 14 O -1.5410247 0.0000000 0.0000000 0.0000000 -1.6767890 -0.2527628 0.0000000 -0.3356531 -2.0239504 15 O -1.9669915 -0.2923434 0.0000000 -0.3426855 -1.6555832 0.0000000 0.0000000 0.0000000 -1.4695834 16 O -1.9669915 -0.2923434 0.0000000 -0.3426855 -1.6555832 0.0000000 0.0000000 0.0000000 -1.4695834 17 Ge 2.7968154 0.0000000 0.0000000 0.0000000 2.6781203 0.0000000 0.0000000 0.0000000 2.9979791 18 Ge 2.7968154 0.0000000 0.0000000 0.0000000 2.6781203 0.0000000 0.0000000 0.0000000 2.9979791----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000002 (xyx) 0.00000002 (xyx) 0.00000002 (xxy)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 9 9 8 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.75, Number of G-points: 285, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/125) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.870 ( 0.000 0.000 0.000) 0.000 7.481 ( 0.000 0.000 0.000) 0.000 7.729 ( 0.000 0.000 0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.317 ( 0.000 0.000 0.000) 0.000 8.498 ( 0.000 0.000 0.000) 0.000 8.612 ( 0.000 0.000 0.000) 0.000 8.821 ( 0.000 0.000 0.000) 0.000 8.891 ( 0.000 0.000 0.000) 0.000 9.432 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 10.434 ( 0.000 0.000 0.000) 0.000 10.778 ( 0.000 0.000 0.000) 0.000 10.788 ( 0.000 0.000 0.000) 0.000 11.078 ( 0.000 0.000 0.000) 0.000 11.696 ( 0.000 0.000 0.000) 0.000 11.715 ( 0.000 0.000 0.000) 0.000 11.798 ( 0.000 0.000 0.000) 0.000 12.140 ( 0.000 0.000 0.000) 0.000 12.866 ( 0.000 0.000 0.000) 0.000 13.331 ( 0.000 0.000 0.000) 0.000 13.362 ( 0.000 0.000 0.000) 0.000 13.455 ( 0.000 0.000 0.000) 0.000 13.819 ( 0.000 0.000 0.000) 0.000 14.162 ( 0.000 0.000 0.000) 0.000 14.714 ( 0.000 0.000 0.000) 0.000 14.770 ( 0.000 0.000 0.000) 0.000 14.838 ( 0.000 0.000 0.000) 0.000 14.839 ( 0.000 0.000 0.000) 0.000 14.878 ( 0.000 0.000 0.000) 0.000 14.977 ( 0.000 0.000 0.000) 0.000 16.364 ( 0.000 0.000 0.000) 0.000 16.685 ( 0.000 0.000 0.000) 0.000 16.790 ( 0.000 0.000 0.000) 0.000 17.071 ( 0.000 0.000 0.000) 0.000 17.133 ( 0.000 0.000 0.000) 0.000 17.399 ( 0.000 0.000 0.000) 0.000 17.991 ( 0.000 0.000 0.000) 0.000 19.909 ( 0.000 0.000 0.000) 0.000 19.998 ( 0.000 0.000 0.000) 0.000 20.611 ( 0.000 0.000 0.000) 0.000 21.028 ( 0.000 0.000 0.000) 0.000 21.135 ( 0.000 0.000 0.000) 0.000 21.559 ( 0.000 0.000 0.000) 0.000 22.027 ( 0.000 0.000 0.000) 0.000 22.288 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/125) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.825 ( 24.912 -29.737 0.000) 38.793 0.847 ( 27.049 -29.859 0.000) 40.290 1.443 ( 52.076 -44.622 0.000) 68.578 3.516 ( 18.659 -9.307 0.000) 20.851 3.913 ( 0.825 1.190 0.000) 1.448 5.064 ( -0.789 4.898 0.000) 4.961 5.452 ( -5.440 -0.583 0.000) 5.471 5.851 ( 2.401 4.900 0.000) 5.457 7.283 ( -13.843 12.006 0.000) 18.324 7.783 ( 5.375 18.054 0.000) 18.837 8.030 ( -24.323 6.393 0.000) 25.150 8.228 ( 2.868 -4.578 0.000) 5.402 8.438 ( 0.886 16.033 0.000) 16.058 8.511 ( 11.260 15.577 0.000) 19.220 8.681 ( 10.870 -4.265 0.000) 11.677 9.182 ( -14.904 -16.814 0.000) 22.469 9.518 ( -9.536 -10.626 0.000) 14.278 9.705 ( 20.256 -6.602 0.000) 21.305 10.264 ( 2.315 11.297 0.000) 11.532 10.577 ( -10.462 11.592 0.000) 15.616 10.626 ( -15.541 3.886 0.000) 16.019 10.901 ( 11.042 -5.525 0.000) 12.347 11.115 ( 2.134 -4.978 0.000) 5.416 11.674 ( -3.320 0.150 0.000) 3.324 11.853 ( 1.224 -5.792 0.000) 5.920 11.948 ( 6.837 -17.755 0.000) 19.026 12.141 ( 5.227 5.365 0.000) 7.491 13.025 ( -25.467 -0.342 0.000) 25.470 13.101 ( 1.689 19.624 0.000) 19.696 13.495 ( -3.864 -7.946 0.000) 8.836 13.740 ( -1.891 -0.423 0.000) 1.937 13.866 ( -4.813 24.647 0.000) 25.113 14.656 ( 0.786 -6.489 0.000) 6.537 14.736 ( 5.331 5.109 0.000) 7.383 14.758 ( -6.845 -1.760 0.000) 7.068 14.871 ( -1.129 -0.375 0.000) 1.190 14.994 ( -3.025 -21.276 0.000) 21.490 15.067 ( 4.807 -18.718 0.000) 19.325 16.348 ( -0.907 1.148 0.000) 1.463 16.514 ( 11.526 13.766 0.000) 17.954 16.802 ( 1.875 1.113 0.000) 2.181 17.076 ( -1.300 -2.782 0.000) 3.071 17.111 ( 13.048 9.119 0.000) 15.918 17.222 ( 12.032 -0.254 0.000) 12.034 17.401 ( -0.279 0.792 0.000) 0.839 18.260 ( -8.619 -10.993 0.000) 13.969 19.910 ( -0.038 -0.148 0.000) 0.153 20.039 ( 4.367 -1.177 0.000) 4.522 20.604 ( -0.362 0.600 0.000) 0.701 21.111 ( -9.167 -5.418 0.000) 10.648 21.275 ( -10.704 -11.335 0.000) 15.590 22.025 ( 1.267 1.547 0.000) 2.000 22.334 ( -1.269 -7.453 0.000) 7.560 24.101 ( 24.080 26.941 0.000) 36.134======================= Grid point 2 (3/125) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.599 ( 22.482 -27.075 0.000) 35.193 1.672 ( 24.725 -29.640 0.000) 38.599 2.810 ( 48.059 -39.298 0.000) 62.080 3.871 ( -1.125 5.152 0.000) 5.273 3.959 ( 20.623 -5.334 0.000) 21.301 4.998 ( 3.275 3.111 0.000) 4.517 5.355 ( -8.175 -0.893 0.000) 8.223 5.771 ( 0.489 9.660 0.000) 9.672 6.840 ( -10.945 16.172 0.000) 19.527 7.517 ( -8.174 14.116 0.000) 16.311 7.639 ( -22.903 0.125 0.000) 22.903 8.154 ( 5.167 12.748 0.000) 13.755 8.471 ( 9.295 -4.130 0.000) 10.171 8.482 ( 5.179 6.787 0.000) 8.537 8.903 ( 8.813 1.646 0.000) 8.965 9.109 ( -7.947 -6.024 0.000) 9.972 9.466 ( -11.763 -2.575 0.000) 12.042 10.035 ( 12.805 -0.161 0.000) 12.806 10.084 ( -12.234 3.607 0.000) 12.754 10.258 ( -21.989 5.914 0.000) 22.770 10.323 ( -9.229 -1.174 0.000) 9.303 11.198 ( 8.309 -12.641 0.000) 15.127 11.279 ( 3.112 -9.700 0.000) 10.187 11.606 ( -5.855 -0.278 0.000) 5.862 11.991 ( 2.271 -6.461 0.000) 6.849 12.121 ( 6.186 6.028 0.000) 8.638 12.323 ( 5.388 -18.577 0.000) 19.343 12.433 ( -16.826 28.144 0.000) 32.791 12.971 ( 2.559 7.474 0.000) 7.900 13.424 ( -0.776 26.006 0.000) 26.017 13.513 ( -6.318 -2.644 0.000) 6.849 13.713 ( -6.360 -4.146 0.000) 7.592 14.651 ( -10.830 -2.205 0.000) 11.052 14.714 ( 2.264 4.914 0.000) 5.411 14.823 ( 13.806 0.150 0.000) 13.807 14.866 ( 0.449 0.156 0.000) 0.475 15.302 ( 2.823 -18.598 0.000) 18.811 15.404 ( 6.243 -13.783 0.000) 15.131 16.307 ( -1.480 1.942 0.000) 2.442 16.482 ( 4.092 4.679 0.000) 6.216 16.777 ( 0.001 4.146 0.000) 4.146 17.128 ( 4.382 7.032 0.000) 8.286 17.146 ( 0.800 -6.984 0.000) 7.030 17.349 ( -3.821 0.966 0.000) 3.941 17.459 ( 14.960 -3.992 0.000) 15.484 18.348 ( 2.697 -5.709 0.000) 6.314 19.913 ( -0.070 -0.248 0.000) 0.258 20.153 ( 8.222 -1.763 0.000) 8.409 20.583 ( -0.644 1.064 0.000) 1.243 21.035 ( -12.874 -5.223 0.000) 13.893 21.298 ( -0.287 -1.929 0.000) 1.950 22.014 ( -0.416 0.810 0.000) 0.910 22.476 ( 0.667 -11.531 0.000) 11.551 24.005 ( 8.791 16.540 0.000) 18.731======================= Grid point 3 (4/125) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.273 ( 18.273 -22.827 0.000) 29.240 2.442 ( 21.080 -27.984 0.000) 35.035 3.700 ( -5.337 11.366 0.000) 12.557 3.901 ( 30.986 -22.927 0.000) 38.546 4.097 ( 4.904 10.770 0.000) 11.834 5.082 ( 1.651 -6.609 0.000) 6.812 5.398 ( 12.800 -6.402 0.000) 14.312 5.550 ( -7.369 10.925 0.000) 13.178 6.639 ( 9.263 7.972 0.000) 12.221 7.170 ( -13.438 9.352 0.000) 16.372 7.342 ( -22.795 -3.183 0.000) 23.017 8.095 ( 8.195 9.589 0.000) 12.614 8.353 ( -8.968 7.467 0.000) 11.669 8.700 ( 13.157 -4.537 0.000) 13.917 8.839 ( 3.881 6.619 0.000) 7.673 9.273 ( -10.208 6.703 0.000) 12.211 9.293 ( 9.038 -6.739 0.000) 11.274 9.714 ( -32.193 -0.870 0.000) 32.205 10.007 ( -9.354 -1.620 0.000) 9.494 10.088 ( -1.911 -2.901 0.000) 3.474 10.347 ( 2.822 -2.131 0.000) 3.536 11.408 ( -1.632 -3.497 0.000) 3.859 11.453 ( 3.994 -6.445 0.000) 7.582 11.534 ( -6.358 -2.627 0.000) 6.879 11.755 ( -12.694 24.347 0.000) 27.458 11.984 ( 1.602 8.540 0.000) 8.689 12.324 ( 8.189 -12.843 0.000) 15.231 12.643 ( 2.492 -15.368 0.000) 15.569 12.924 ( 6.068 7.274 0.000) 9.473 13.106 ( 5.005 18.726 0.000) 19.383 13.379 ( -9.450 5.184 0.000) 10.778 13.687 ( -6.036 -4.150 0.000) 7.325 14.542 ( -6.978 -0.890 0.000) 7.035 14.658 ( -0.733 3.392 0.000) 3.470 14.878 ( 2.143 0.887 0.000) 2.319 15.002 ( 9.099 -1.022 0.000) 9.157 15.637 ( 9.273 -14.132 0.000) 16.903 15.650 ( 5.119 -7.777 0.000) 9.311 16.249 ( -1.830 2.417 0.000) 3.031 16.465 ( -1.297 2.482 0.000) 2.800 16.698 ( -1.523 3.856 0.000) 4.145 17.024 ( -1.725 6.034 0.000) 6.276 17.281 ( 2.168 -6.762 0.000) 7.101 17.298 ( -1.524 1.335 0.000) 2.026 17.722 ( 11.277 -4.526 0.000) 12.151 18.480 ( 5.140 -3.114 0.000) 6.009 19.915 ( -0.070 -0.250 0.000) 0.260 20.320 ( 11.137 -1.666 0.000) 11.261 20.556 ( -0.667 1.101 0.000) 1.287 20.905 ( -13.811 -3.018 0.000) 14.137 21.322 ( 1.404 -0.030 0.000) 1.405 21.990 ( -2.025 -0.203 0.000) 2.035 22.684 ( 2.711 -11.796 0.000) 12.104 23.859 ( 2.583 12.888 0.000) 13.144======================= Grid point 4 (5/125) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.788 ( 10.945 -15.008 0.000) 18.575 3.082 ( 13.312 -20.094 0.000) 24.103 3.409 ( -6.907 12.127 0.000) 13.956 3.846 ( -5.263 15.076 0.000) 15.968 4.301 ( 3.849 -2.008 0.000) 4.341 5.308 ( 6.211 -9.390 0.000) 11.258 5.333 ( -4.266 4.158 0.000) 5.957 5.750 ( 14.536 -5.001 0.000) 15.372 6.789 ( 21.446 4.035 0.000) 21.822 6.901 ( -9.092 2.654 0.000) 9.471 7.064 ( -23.969 -3.925 0.000) 24.289 8.050 ( 2.344 5.758 0.000) 6.217 8.122 ( -5.499 4.705 0.000) 7.237 8.842 ( 2.873 1.548 0.000) 3.264 8.980 ( 19.024 -0.981 0.000) 19.049 9.041 ( -6.227 3.352 0.000) 7.072 9.312 ( -25.039 -0.232 0.000) 25.040 9.454 ( 3.761 -1.654 0.000) 4.108 9.969 ( -4.897 -5.142 0.000) 7.100 10.139 ( -1.249 -5.264 0.000) 5.410 10.388 ( 2.214 1.480 0.000) 2.664 11.236 ( -2.469 15.591 0.000) 15.785 11.375 ( -2.288 0.895 0.000) 2.457 11.497 ( -3.108 -1.163 0.000) 3.318 11.649 ( -2.357 -7.608 0.000) 7.965 11.885 ( 1.498 6.419 0.000) 6.592 12.663 ( 7.381 -13.938 0.000) 15.772 12.830 ( -1.159 -7.124 0.000) 7.217 12.915 ( 6.576 5.742 0.000) 8.730 12.995 ( 5.350 6.905 0.000) 8.735 13.112 ( -11.318 8.194 0.000) 13.973 13.670 ( -2.512 -1.712 0.000) 3.040 14.486 ( -2.356 -0.454 0.000) 2.399 14.607 ( -0.818 1.285 0.000) 1.523 14.893 ( 1.149 0.485 0.000) 1.247 15.099 ( 2.918 -0.364 0.000) 2.941 15.785 ( 2.297 -2.718 0.000) 3.559 15.989 ( 12.326 -11.326 0.000) 16.739 16.193 ( -1.187 1.470 0.000) 1.890 16.306 ( -9.884 7.780 0.000) 12.579 16.638 ( -0.794 1.398 0.000) 1.608 16.971 ( 0.456 0.346 0.000) 0.572 17.254 ( -0.851 1.523 0.000) 1.744 17.382 ( 1.056 -2.714 0.000) 2.912 17.886 ( 4.113 -1.882 0.000) 4.524 18.567 ( 2.245 -0.950 0.000) 2.438 19.918 ( -0.028 -0.110 0.000) 0.114 20.507 ( 11.329 -0.791 0.000) 11.356 20.536 ( -0.293 0.484 0.000) 0.566 20.741 ( -12.157 -0.844 0.000) 12.186 21.337 ( 0.762 0.130 0.000) 0.773 21.969 ( -1.166 -0.239 0.000) 1.190 22.867 ( 1.758 -6.050 0.000) 6.300 23.720 ( 0.066 6.168 0.000) 6.168======================= Grid point 10 (6/125) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.098 ( 37.804 -0.000 0.000) 37.804 1.112 ( 39.499 -0.000 0.000) 39.499 2.095 ( 70.617 -0.000 0.000) 70.617 3.848 ( 34.797 -0.000 0.000) 34.797 3.950 ( 2.494 -0.000 0.000) 2.494 5.086 ( -1.735 0.000 0.000) 1.735 5.340 ( -9.211 0.000 0.000) 9.211 5.934 ( 3.549 -0.000 0.000) 3.549 7.149 ( -16.552 0.000 0.000) 16.552 7.655 ( -32.230 0.000 0.000) 32.230 7.893 ( -15.101 0.000 0.000) 15.101 8.222 ( 6.801 -0.000 0.000) 6.801 8.547 ( -2.323 0.000 0.000) 2.323 8.726 ( -10.290 0.000 0.000) 10.290 8.789 ( -7.075 0.000 0.000) 7.075 8.896 ( 21.055 -0.000 0.000) 21.055 9.307 ( -8.522 0.000 0.000) 8.522 9.955 ( 20.445 -0.000 0.000) 20.445 10.348 ( -26.772 0.000 0.000) 26.772 10.458 ( -20.147 0.000 0.000) 20.147 10.486 ( 2.592 -0.000 0.000) 2.592 10.828 ( -5.107 0.000 0.000) 5.107 11.087 ( 4.223 -0.000 0.000) 4.223 11.770 ( 3.366 -0.000 0.000) 3.366 11.801 ( -0.796 0.000 0.000) 0.796 11.860 ( 8.822 -0.000 0.000) 8.822 12.275 ( 6.580 -0.000 0.000) 6.580 12.780 ( -5.395 0.000 0.000) 5.395 13.249 ( -12.359 0.000 0.000) 12.359 13.270 ( -8.149 0.000 0.000) 8.149 13.643 ( -4.255 0.000 0.000) 4.255 13.969 ( -7.640 0.000 0.000) 7.640 14.398 ( 0.421 -0.000 0.000) 0.421 14.792 ( -3.488 0.000 0.000) 3.488 14.836 ( -2.552 0.000 0.000) 2.552 14.934 ( 8.324 -0.000 0.000) 8.324 15.053 ( 15.981 -0.000 0.000) 15.981 15.093 ( 19.001 -0.000 0.000) 19.001 16.336 ( -1.910 0.000 0.000) 1.910 16.635 ( -1.172 0.000 0.000) 1.172 16.872 ( 6.047 -0.000 0.000) 6.047 17.011 ( -4.157 0.000 0.000) 4.157 17.276 ( 7.341 -0.000 0.000) 7.341 17.366 ( -6.039 0.000 0.000) 6.039 17.422 ( 2.505 -0.000 0.000) 2.505 18.106 ( 8.600 -0.000 0.000) 8.600 19.908 ( -0.065 0.000 0.000) 0.065 20.131 ( 9.473 -0.000 0.000) 9.473 20.601 ( -0.627 0.000 0.000) 0.627 20.913 ( -4.340 0.000 0.000) 4.340 21.273 ( 5.367 -0.000 0.000) 5.367 22.087 ( 4.126 -0.000 0.000) 4.126 22.228 ( -3.078 0.000 0.000) 3.078 24.428 ( -4.534 0.000 0.000) 4.534======================= Grid point 11 (7/125) =======================q-point: ( 0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.719 ( 33.498 -11.177 0.000) 35.314 1.778 ( 35.556 -13.206 0.000) 37.929 3.197 ( 60.935 -16.099 0.000) 63.026 3.957 ( 2.140 4.510 0.000) 4.992 4.355 ( 32.428 4.792 0.000) 32.780 5.041 ( -2.023 1.630 0.000) 2.598 5.239 ( -2.656 -3.520 0.000) 4.410 5.904 ( -1.585 8.771 0.000) 8.913 6.863 ( -10.018 6.891 0.000) 12.160 7.235 ( -28.857 -4.224 0.000) 29.164 7.519 ( -21.268 10.349 0.000) 23.652 8.337 ( 6.416 2.779 0.000) 6.992 8.520 ( -9.903 3.190 0.000) 10.404 8.539 ( 5.667 -2.537 0.000) 6.209 8.729 ( -16.945 -9.295 0.000) 19.327 9.201 ( 22.552 1.585 0.000) 22.608 9.209 ( -12.744 -5.630 0.000) 13.932 9.885 ( -30.807 5.645 0.000) 31.320 10.109 ( -19.155 3.456 0.000) 19.464 10.243 ( 12.211 -4.739 0.000) 13.098 10.250 ( -2.584 19.479 0.000) 19.650 11.002 ( -1.234 -18.942 0.000) 18.982 11.233 ( 8.406 -4.361 0.000) 9.470 11.688 ( 3.190 10.040 0.000) 10.534 11.851 ( -3.090 -10.333 0.000) 10.785 12.167 ( 9.226 -14.697 0.000) 17.353 12.293 ( 3.214 6.890 0.000) 7.603 12.554 ( -11.949 18.312 0.000) 21.866 13.018 ( -8.820 0.052 0.000) 8.820 13.246 ( -12.351 -11.621 0.000) 16.959 13.637 ( 3.018 0.774 0.000) 3.115 13.733 ( -3.109 16.984 0.000) 17.266 14.410 ( -6.598 -4.988 0.000) 8.271 14.734 ( -4.858 0.446 0.000) 4.878 14.824 ( -2.511 -3.472 0.000) 4.285 15.140 ( 10.474 -1.438 0.000) 10.572 15.263 ( 20.209 -0.538 0.000) 20.216 15.404 ( 14.951 -5.866 0.000) 16.060 16.298 ( -2.527 0.709 0.000) 2.624 16.596 ( 1.887 4.745 0.000) 5.106 16.854 ( -1.409 6.326 0.000) 6.481 17.071 ( 4.582 -6.939 0.000) 8.316 17.199 ( -10.143 4.146 0.000) 10.958 17.340 ( 3.076 1.503 0.000) 3.423 17.538 ( 6.787 -5.948 0.000) 9.025 18.300 ( 7.153 -6.601 0.000) 9.733 19.908 ( -0.079 -0.146 0.000) 0.166 20.302 ( 14.251 0.046 0.000) 14.251 20.586 ( -0.765 0.622 0.000) 0.986 20.857 ( -5.450 -0.371 0.000) 5.463 21.331 ( 2.816 0.424 0.000) 2.847 22.068 ( 1.928 5.534 0.000) 5.861 22.328 ( 2.779 -10.699 0.000) 11.054 24.260 ( -3.997 10.470 0.000) 11.207======================= Grid point 12 (8/125) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.337 ( 27.107 -12.013 0.000) 29.650 2.475 ( 29.845 -15.989 0.000) 33.858 3.845 ( -0.551 12.369 0.000) 12.381 4.153 ( 36.958 -8.903 0.000) 38.015 4.432 ( 6.295 18.688 0.000) 19.720 5.004 ( 1.836 -4.346 0.000) 4.718 5.539 ( 23.268 -8.915 0.000) 24.917 5.613 ( -9.740 13.943 0.000) 17.008 6.817 ( 7.705 -1.934 0.000) 7.944 6.926 ( -25.622 -5.451 0.000) 26.195 7.062 ( -21.086 7.001 0.000) 22.218 8.290 ( -13.426 4.893 0.000) 14.290 8.327 ( 4.975 7.866 0.000) 9.307 8.643 ( -16.750 -12.085 0.000) 20.655 8.775 ( 11.577 -9.056 0.000) 14.698 9.112 ( -13.713 -6.889 0.000) 15.346 9.340 ( -27.342 8.790 0.000) 28.720 9.469 ( 17.485 3.022 0.000) 17.744 9.861 ( -15.409 -5.781 0.000) 16.458 9.958 ( -3.946 10.826 0.000) 11.523 10.455 ( 9.062 -2.619 0.000) 9.433 11.238 ( -4.379 -16.524 0.000) 17.094 11.379 ( 4.226 -0.953 0.000) 4.332 11.599 ( 5.044 8.158 0.000) 9.592 11.971 ( -11.055 12.686 0.000) 16.827 12.049 ( -4.203 -1.196 0.000) 4.370 12.200 ( -1.665 4.336 0.000) 4.645 12.503 ( 8.409 -11.646 0.000) 14.365 12.953 ( -4.817 -1.466 0.000) 5.035 13.213 ( -12.676 -6.967 0.000) 14.465 13.449 ( 2.290 18.175 0.000) 18.318 13.693 ( 7.762 2.465 0.000) 8.144 14.383 ( -6.831 -5.298 0.000) 8.645 14.651 ( -4.716 0.909 0.000) 4.803 14.842 ( -3.655 -3.957 0.000) 5.386 15.232 ( 10.935 7.091 0.000) 13.033 15.641 ( 18.258 -9.460 0.000) 20.563 15.660 ( 9.322 -4.543 0.000) 10.370 16.245 ( -2.743 1.268 0.000) 3.021 16.524 ( -1.764 6.939 0.000) 7.160 16.724 ( -4.140 4.511 0.000) 6.122 17.001 ( -8.386 1.567 0.000) 8.531 17.261 ( 7.812 -4.975 0.000) 9.262 17.348 ( 2.506 3.283 0.000) 4.130 17.721 ( 2.569 -7.822 0.000) 8.233 18.465 ( 3.018 -4.914 0.000) 5.767 19.911 ( -0.050 -0.262 0.000) 0.267 20.523 ( 17.075 1.290 0.000) 17.124 20.563 ( -0.688 0.984 0.000) 1.201 20.762 ( -5.800 1.676 0.000) 6.037 21.345 ( 0.364 0.408 0.000) 0.547 22.029 ( 3.494 4.378 0.000) 5.602 22.564 ( 5.448 -11.572 0.000) 12.790 24.027 ( -5.342 11.112 0.000) 12.329======================= Grid point 13 (9/125) =======================q-point: ( 0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.831 ( 19.380 -8.135 0.000) 21.018 3.085 ( 22.294 -13.305 0.000) 25.962 3.574 ( -3.008 18.166 0.000) 18.413 4.093 ( -4.636 23.767 0.000) 24.215 4.422 ( 8.377 6.482 0.000) 10.592 5.295 ( 11.704 -8.723 0.000) 14.597 5.352 ( -3.453 5.694 0.000) 6.659 5.845 ( 2.243 1.255 0.000) 2.570 6.631 ( -25.645 -5.548 0.000) 26.238 6.845 ( 0.827 -2.233 0.000) 2.381 7.078 ( 17.705 -4.740 0.000) 18.329 8.061 ( -9.470 0.827 0.000) 9.506 8.204 ( -1.182 12.877 0.000) 12.931 8.594 ( -17.567 -12.665 0.000) 21.657 8.870 ( -20.463 -2.469 0.000) 20.611 9.043 ( -5.349 -2.041 0.000) 5.725 9.166 ( 14.926 -9.803 0.000) 17.858 9.534 ( 0.039 2.811 0.000) 2.811 9.878 ( -2.433 -8.840 0.000) 9.169 9.878 ( 1.609 -4.425 0.000) 4.708 10.576 ( 8.277 3.063 0.000) 8.826 11.353 ( -12.202 -4.258 0.000) 12.924 11.386 ( 1.142 2.016 0.000) 2.317 11.482 ( -4.570 11.045 0.000) 11.953 11.607 ( 9.706 5.493 0.000) 11.152 12.028 ( 1.103 8.541 0.000) 8.612 12.323 ( -10.359 -24.741 0.000) 26.823 12.727 ( 4.646 -4.845 0.000) 6.712 12.872 ( -7.238 2.352 0.000) 7.610 13.129 ( -4.968 -1.338 0.000) 5.145 13.259 ( 4.701 14.206 0.000) 14.964 13.768 ( 9.045 3.903 0.000) 9.851 14.396 ( -2.861 -5.764 0.000) 6.435 14.588 ( -2.947 -0.229 0.000) 2.955 14.829 ( -6.132 -3.607 0.000) 7.115 15.252 ( 8.614 8.661 0.000) 12.215 15.803 ( 4.181 -1.292 0.000) 4.376 16.032 ( 15.633 -9.210 0.000) 18.145 16.189 ( -1.988 0.987 0.000) 2.219 16.303 ( -10.183 9.296 0.000) 13.788 16.625 ( -3.405 0.886 0.000) 3.518 16.943 ( -1.853 -1.603 0.000) 2.450 17.312 ( 1.497 4.546 0.000) 4.786 17.415 ( 6.844 -0.675 0.000) 6.877 17.819 ( -4.120 -5.840 0.000) 7.147 18.528 ( -2.146 -2.692 0.000) 3.443 19.915 ( 0.022 -0.273 0.000) 0.273 20.541 ( -0.314 0.731 0.000) 0.796 20.581 ( -5.797 3.767 0.000) 6.914 20.804 ( 18.299 2.596 0.000) 18.482 21.337 ( -0.742 0.103 0.000) 0.749 22.034 ( 5.709 3.960 0.000) 6.948 22.804 ( 5.234 -8.777 0.000) 10.219 23.782 ( -7.186 8.526 0.000) 11.150======================= Grid point 14 (10/125) =======================q-point: (-0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.962 ( -0.700 17.882 0.000) 17.896 3.285 ( -2.564 19.881 0.000) 20.046 3.416 ( 9.004 -1.928 0.000) 9.208 3.822 ( 6.888 -0.330 0.000) 6.896 4.376 ( 1.149 10.357 0.000) 10.420 5.342 ( 3.693 -2.599 0.000) 4.517 5.357 ( -6.514 5.890 0.000) 8.782 5.623 ( -13.684 8.020 0.000) 15.861 6.388 ( -20.536 -7.819 0.000) 21.974 7.025 ( 12.686 -1.444 0.000) 12.768 7.404 ( 19.231 -1.279 0.000) 19.273 7.977 ( -7.293 5.713 0.000) 9.264 8.064 ( 0.652 -11.040 0.000) 11.060 8.508 ( -20.187 -11.641 0.000) 23.303 8.697 ( -14.359 -4.929 0.000) 15.181 9.072 ( 6.021 -4.146 0.000) 7.311 9.463 ( -3.593 3.433 0.000) 4.970 9.597 ( 22.026 -9.494 0.000) 23.985 9.932 ( -10.086 -9.228 0.000) 13.670 10.099 ( 13.038 -6.646 0.000) 14.635 10.603 ( 8.790 9.198 0.000) 12.723 11.082 ( -7.326 1.759 0.000) 7.534 11.416 ( 4.607 -0.519 0.000) 4.636 11.548 ( -6.303 -13.837 0.000) 15.205 11.700 ( 13.811 4.355 0.000) 14.482 11.915 ( 0.242 7.786 0.000) 7.790 12.471 ( -16.321 -16.853 0.000) 23.461 12.691 ( -7.248 3.581 0.000) 8.084 12.789 ( -0.442 -0.346 0.000) 0.561 13.105 ( 1.963 13.811 0.000) 13.950 13.172 ( 3.724 -5.142 0.000) 6.349 13.821 ( 6.401 3.981 0.000) 7.538 14.474 ( 2.250 -4.543 0.000) 5.070 14.571 ( -2.452 -1.952 0.000) 3.134 14.791 ( -6.841 -4.496 0.000) 8.186 15.218 ( 7.333 10.681 0.000) 12.956 15.814 ( -0.256 3.098 0.000) 3.109 15.983 ( -11.861 9.132 0.000) 14.969 16.180 ( 0.296 -1.539 0.000) 1.568 16.367 ( 12.321 -5.838 0.000) 13.634 16.603 ( -1.432 -2.465 0.000) 2.850 16.924 ( -4.068 -0.544 0.000) 4.105 17.286 ( 2.481 1.811 0.000) 3.072 17.463 ( 4.008 4.646 0.000) 6.136 17.770 ( -10.591 -1.592 0.000) 10.710 18.495 ( -6.025 -1.057 0.000) 6.118 19.919 ( 0.082 -0.109 0.000) 0.137 20.415 ( -7.572 4.376 0.000) 8.746 20.535 ( 0.204 -0.103 0.000) 0.229 21.027 ( 18.771 4.538 0.000) 19.312 21.333 ( 1.574 0.542 0.000) 1.664 22.059 ( 5.672 3.958 0.000) 6.917 22.930 ( 2.393 1.167 0.000) 2.662 23.606 ( -7.582 -0.972 0.000) 7.644======================= Grid point 15 (11/125) =======================q-point: (-0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.493 ( -8.270 29.810 0.000) 30.936 2.679 ( -14.618 34.552 0.000) 37.517 3.665 ( 9.358 -7.222 0.000) 11.820 3.972 ( -14.039 27.799 0.000) 31.143 4.029 ( 5.985 1.417 0.000) 6.151 5.038 ( -18.494 6.096 0.000) 19.473 5.437 ( 4.638 5.746 0.000) 7.385 5.472 ( 1.080 -8.007 0.000) 8.080 6.357 ( -4.723 -14.214 0.000) 14.978 7.216 ( 9.385 -4.519 0.000) 10.416 7.651 ( 15.664 0.318 0.000) 15.668 7.837 ( -11.478 -4.529 0.000) 12.339 8.327 ( -1.693 -4.318 0.000) 4.639 8.449 ( -8.759 -25.521 0.000) 26.982 8.563 ( -9.568 -0.005 0.000) 9.568 9.297 ( -6.638 8.874 0.000) 11.083 9.326 ( 13.679 -8.089 0.000) 15.891 9.916 ( -10.990 -9.739 0.000) 14.685 10.025 ( 14.140 -9.020 0.000) 16.772 10.295 ( 18.882 9.422 0.000) 21.102 10.560 ( 8.048 11.656 0.000) 14.164 11.224 ( -1.973 -21.570 0.000) 21.660 11.486 ( 3.921 1.615 0.000) 4.241 11.648 ( -5.777 -12.119 0.000) 13.425 11.819 ( -3.221 -1.336 0.000) 3.487 11.831 ( 15.773 9.198 0.000) 18.259 12.339 ( -7.330 6.677 0.000) 9.915 12.688 ( -3.292 -11.108 0.000) 11.586 12.791 ( -3.983 -7.417 0.000) 8.419 12.880 ( -1.517 15.692 0.000) 15.765 13.332 ( -0.025 -10.114 0.000) 10.114 13.829 ( 2.405 3.162 0.000) 3.973 14.558 ( -6.096 -4.596 0.000) 7.635 14.566 ( 2.681 -1.344 0.000) 2.999 14.794 ( -2.343 -4.513 0.000) 5.085 15.151 ( 9.223 13.074 0.000) 16.000 15.719 ( -4.792 8.154 0.000) 9.457 15.722 ( -1.513 6.926 0.000) 7.089 16.228 ( 0.933 -2.908 0.000) 3.054 16.501 ( 1.706 4.001 0.000) 4.350 16.648 ( 0.068 -4.306 0.000) 4.306 16.897 ( -4.650 -6.612 0.000) 8.084 17.318 ( 2.326 -0.614 0.000) 2.406 17.396 ( 1.316 8.659 0.000) 8.758 17.579 ( -13.647 2.875 0.000) 13.946 18.407 ( -6.658 -0.169 0.000) 6.660 19.920 ( 0.090 0.128 0.000) 0.157 20.248 ( -6.144 4.367 0.000) 7.538 20.549 ( 0.488 -0.931 0.000) 1.051 21.163 ( 7.909 3.383 0.000) 8.602 21.396 ( 12.794 4.113 0.000) 13.438 22.064 ( 2.897 3.719 0.000) 4.714 22.836 ( -0.566 10.842 0.000) 10.857 23.598 ( -7.846 -10.378 0.000) 13.010======================= Grid point 16 (12/125) =======================q-point: (-0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.873 ( -8.096 35.415 0.000) 36.328 1.906 ( -15.199 37.573 0.000) 40.530 3.067 ( -16.999 52.811 0.000) 55.480 3.840 ( 3.332 -3.557 0.000) 4.874 3.946 ( -4.563 15.529 0.000) 16.186 4.852 ( -6.088 -7.232 0.000) 9.453 5.487 ( 6.495 2.001 0.000) 6.796 5.597 ( -2.418 -10.317 0.000) 10.596 6.681 ( 7.959 -22.411 0.000) 23.782 7.430 ( 5.113 -7.629 0.000) 9.184 7.825 ( -8.297 -15.517 0.000) 17.596 7.873 ( 12.606 -3.241 0.000) 13.016 8.229 ( -12.928 -5.650 0.000) 14.109 8.426 ( -5.306 3.943 0.000) 6.611 8.827 ( 3.600 -8.709 0.000) 9.424 9.095 ( -4.078 -3.784 0.000) 5.563 9.635 ( 14.198 -3.971 0.000) 14.743 9.895 ( -7.060 -2.535 0.000) 7.501 10.151 ( -2.954 -2.438 0.000) 3.830 10.504 ( 5.898 7.928 0.000) 9.881 10.537 ( 21.589 0.900 0.000) 21.608 11.180 ( -12.997 8.420 0.000) 15.486 11.412 ( -1.000 11.846 0.000) 11.888 11.832 ( 9.190 11.877 0.000) 15.018 11.870 ( -2.434 -9.994 0.000) 10.287 12.025 ( -2.278 -25.758 0.000) 25.859 12.177 ( 3.262 -0.770 0.000) 3.352 12.568 ( -2.197 20.450 0.000) 20.568 12.907 ( 10.573 -11.310 0.000) 15.482 13.015 ( -1.254 -25.417 0.000) 25.448 13.423 ( -9.908 -10.037 0.000) 14.104 13.800 ( 0.123 2.743 0.000) 2.746 14.551 ( -2.893 2.617 0.000) 3.901 14.557 ( -5.343 -6.539 0.000) 8.444 14.839 ( 0.101 -2.886 0.000) 2.888 15.093 ( 8.177 11.950 0.000) 14.480 15.562 ( -1.194 11.806 0.000) 11.866 15.650 ( 16.397 10.992 0.000) 19.740 16.284 ( 0.576 -2.891 0.000) 2.948 16.326 ( -15.736 3.776 0.000) 16.183 16.720 ( 0.274 -4.195 0.000) 4.204 16.941 ( -5.690 -6.107 0.000) 8.347 17.263 ( 0.104 9.176 0.000) 9.176 17.308 ( -7.440 2.314 0.000) 7.792 17.392 ( -0.439 1.424 0.000) 1.490 18.338 ( -2.972 -0.655 0.000) 3.044 19.918 ( 0.052 0.268 0.000) 0.273 20.116 ( -3.401 3.830 0.000) 5.122 20.573 ( 0.361 -1.245 0.000) 1.297 21.178 ( 0.945 1.821 0.000) 2.052 21.541 ( 17.480 6.740 0.000) 18.734 22.031 ( -0.524 2.358 0.000) 2.416 22.646 ( -0.592 11.918 0.000) 11.933 23.636 ( -10.156 -10.505 0.000) 14.612======================= Grid point 17 (13/125) =======================q-point: (-0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.178 ( 0.000 39.555 0.000) 39.555 1.229 ( 0.000 39.397 0.000) 39.397 2.021 ( 0.000 63.833 0.000) 63.833 3.607 ( 0.000 18.304 0.000) 18.304 3.891 ( -0.000 -1.399 0.000) 1.399 4.964 ( -0.000 -8.997 0.000) 8.997 5.508 ( 0.000 1.446 0.000) 1.446 5.727 ( -0.000 -8.794 0.000) 8.794 7.124 ( -0.000 -22.896 0.000) 22.896 7.555 ( -0.000 -6.865 0.000) 6.865 8.095 ( -0.000 -23.826 0.000) 23.826 8.111 ( -0.000 -12.548 0.000) 12.548 8.185 ( -0.000 -4.751 0.000) 4.751 8.300 ( 0.000 6.846 0.000) 6.846 8.712 ( 0.000 10.337 0.000) 10.337 9.349 ( -0.000 -15.165 0.000) 15.165 9.734 ( 0.000 16.577 0.000) 16.577 9.751 ( 0.000 5.326 0.000) 5.326 10.166 ( -0.000 -3.675 0.000) 3.675 10.514 ( -0.000 -3.801 0.000) 3.801 10.737 ( -0.000 -1.743 0.000) 1.743 10.872 ( 0.000 10.944 0.000) 10.944 11.193 ( 0.000 10.989 0.000) 10.989 11.773 ( 0.000 5.442 0.000) 5.442 11.955 ( 0.000 8.810 0.000) 8.810 11.992 ( -0.000 -8.729 0.000) 8.729 12.212 ( 0.000 22.703 0.000) 22.703 12.654 ( -0.000 -32.880 0.000) 32.880 13.303 ( -0.000 -12.831 0.000) 12.831 13.358 ( -0.000 -4.904 0.000) 4.904 13.454 ( -0.000 -30.793 0.000) 30.793 13.752 ( 0.000 3.466 0.000) 3.466 14.482 ( -0.000 -0.160 0.000) 0.160 14.612 ( -0.000 -5.821 0.000) 5.821 14.872 ( -0.000 -1.157 0.000) 1.157 14.991 ( 0.000 9.119 0.000) 9.119 15.329 ( 0.000 17.418 0.000) 17.418 15.680 ( 0.000 25.376 0.000) 25.376 16.084 ( -0.000 -8.630 0.000) 8.630 16.328 ( -0.000 -2.263 0.000) 2.263 16.770 ( -0.000 -2.135 0.000) 2.135 16.937 ( -0.000 -1.770 0.000) 1.770 17.146 ( 0.000 5.906 0.000) 5.906 17.196 ( 0.000 3.334 0.000) 3.334 17.394 ( -0.000 -0.135 0.000) 0.135 18.347 ( -0.000 -1.985 0.000) 1.985 19.914 ( 0.000 0.259 0.000) 0.259 20.040 ( 0.000 2.779 0.000) 2.779 20.594 ( -0.000 -1.060 0.000) 1.060 21.156 ( 0.000 1.383 0.000) 1.383 21.624 ( 0.000 4.063 0.000) 4.063 22.001 ( 0.000 0.093 0.000) 0.093 22.472 ( 0.000 10.221 0.000) 10.221 23.648 ( -0.000 -5.349 0.000) 5.349======================= Grid point 20 (14/125) =======================q-point: ( 0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.142 ( 34.750 -0.000 0.000) 34.750 2.215 ( 36.533 -0.000 0.000) 36.533 3.949 ( 56.929 -0.000 0.000) 56.929 4.040 ( 3.531 -0.000 0.000) 3.531 4.786 ( 7.545 -0.000 0.000) 7.545 5.031 ( -1.463 0.000 0.000) 1.463 5.303 ( 28.467 -0.000 0.000) 28.467 5.954 ( -4.544 0.000 0.000) 4.544 6.743 ( -30.178 0.000 0.000) 30.178 6.786 ( -6.610 0.000 0.000) 6.610 7.197 ( -32.207 0.000 0.000) 32.207 8.329 ( -15.381 0.000 0.000) 15.381 8.445 ( -15.574 0.000 0.000) 15.574 8.499 ( 10.896 -0.000 0.000) 10.896 8.543 ( 1.425 -0.000 0.000) 1.425 8.988 ( -12.102 0.000 0.000) 12.102 9.484 ( -29.244 0.000 0.000) 29.244 9.553 ( 23.328 -0.000 0.000) 23.328 9.792 ( -24.434 0.000 0.000) 24.434 10.355 ( 8.395 -0.000 0.000) 8.395 10.503 ( -2.561 0.000 0.000) 2.561 10.703 ( -2.927 0.000 0.000) 2.927 11.359 ( 10.487 -0.000 0.000) 10.487 11.644 ( -12.354 0.000 0.000) 12.354 11.817 ( -0.637 0.000 0.000) 0.637 12.246 ( 19.964 -0.000 0.000) 19.964 12.404 ( 1.807 -0.000 0.000) 1.807 12.600 ( -7.157 0.000 0.000) 7.157 12.849 ( -14.516 0.000 0.000) 14.516 12.908 ( -11.246 0.000 0.000) 11.246 13.739 ( 8.807 -0.000 0.000) 8.807 13.819 ( -3.005 0.000 0.000) 3.005 14.274 ( -8.135 0.000 0.000) 8.135 14.626 ( -7.876 0.000 0.000) 7.876 14.756 ( -3.168 0.000 0.000) 3.168 15.307 ( 15.646 -0.000 0.000) 15.646 15.556 ( 18.232 -0.000 0.000) 18.232 15.579 ( 13.367 -0.000 0.000) 13.367 16.262 ( -3.143 0.000 0.000) 3.143 16.664 ( 1.282 -0.000 0.000) 1.282 16.838 ( -7.748 0.000 0.000) 7.748 17.041 ( -13.975 0.000 0.000) 13.975 17.147 ( 12.851 -0.000 0.000) 12.851 17.382 ( 1.226 -0.000 0.000) 1.226 17.569 ( 4.790 -0.000 0.000) 4.790 18.365 ( 7.114 -0.000 0.000) 7.114 19.906 ( -0.088 0.000 0.000) 0.088 20.549 ( 19.661 -0.000 0.000) 19.661 20.580 ( -0.752 0.000 0.000) 0.752 20.796 ( -4.685 0.000 0.000) 4.685 21.355 ( 0.051 -0.000 0.000) 0.051 22.228 ( 4.845 -0.000 0.000) 4.845 22.249 ( 6.650 -0.000 0.000) 6.650 24.231 ( -9.273 0.000 0.000) 9.273======================= Grid point 21 (15/125) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.645 ( 30.303 -3.259 0.000) 30.478 2.761 ( 31.882 -6.213 0.000) 32.482 4.027 ( 2.564 8.464 0.000) 8.844 4.613 ( 21.483 6.161 0.000) 22.350 4.701 ( 4.045 8.757 0.000) 9.646 5.047 ( 12.345 -2.937 0.000) 12.689 5.698 ( -9.890 15.202 0.000) 18.136 5.861 ( 32.485 0.384 0.000) 32.487 6.437 ( -26.256 -8.828 0.000) 27.700 6.738 ( -27.157 -4.093 0.000) 27.464 6.796 ( 1.132 -9.251 0.000) 9.320 8.117 ( -15.242 1.402 0.000) 15.306 8.261 ( -14.062 -6.297 0.000) 15.407 8.476 ( 1.489 5.681 0.000) 5.873 8.734 ( 0.697 -8.978 0.000) 9.005 8.882 ( -2.884 -4.182 0.000) 5.080 9.089 ( -19.591 4.370 0.000) 20.072 9.479 ( -21.846 -3.933 0.000) 22.197 9.837 ( 20.171 4.854 0.000) 20.746 10.190 ( -1.175 20.177 0.000) 20.212 10.500 ( 6.559 -5.024 0.000) 8.262 10.886 ( -7.165 -16.922 0.000) 18.376 11.465 ( 5.251 2.040 0.000) 5.633 11.561 ( -17.103 -17.966 0.000) 24.805 11.761 ( 0.326 3.404 0.000) 3.419 12.215 ( -9.969 22.498 0.000) 24.608 12.328 ( -1.706 9.156 0.000) 9.314 12.602 ( 22.079 -2.873 0.000) 22.266 12.845 ( -6.016 -4.154 0.000) 7.311 12.853 ( -9.674 -15.225 0.000) 18.039 13.693 ( -0.120 11.338 0.000) 11.339 13.872 ( 11.120 2.804 0.000) 11.468 14.194 ( -7.343 -5.786 0.000) 9.349 14.540 ( -7.965 -3.542 0.000) 8.718 14.718 ( -5.123 -2.026 0.000) 5.509 15.496 ( 13.484 4.565 0.000) 14.236 15.750 ( 8.472 -1.349 0.000) 8.579 15.829 ( 18.274 -2.723 0.000) 18.476 16.213 ( -3.195 0.316 0.000) 3.211 16.554 ( -11.573 6.028 0.000) 13.049 16.696 ( -7.726 2.668 0.000) 8.173 16.906 ( -2.894 -0.620 0.000) 2.959 17.360 ( 13.007 -1.974 0.000) 13.156 17.405 ( 1.060 -0.175 0.000) 1.075 17.634 ( -0.146 -3.385 0.000) 3.388 18.454 ( 2.603 -1.550 0.000) 3.030 19.906 ( -0.063 -0.187 0.000) 0.197 20.566 ( -0.606 0.574 0.000) 0.835 20.694 ( -5.552 2.698 0.000) 6.172 20.857 ( 22.187 0.578 0.000) 22.194 21.343 ( -0.917 0.246 0.000) 0.950 22.209 ( 7.866 7.584 0.000) 10.926 22.489 ( 7.396 -10.499 0.000) 12.842 24.038 ( -10.723 5.688 0.000) 12.138======================= Grid point 22 (16/125) =======================q-point: ( 0.44 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.071 ( 23.132 -1.688 0.000) 23.193 3.283 ( 25.749 -7.122 0.000) 26.716 3.840 ( 0.118 18.240 0.000) 18.240 4.353 ( -6.910 20.458 0.000) 21.593 4.697 ( 7.546 11.011 0.000) 13.349 5.390 ( 13.061 -1.901 0.000) 13.199 5.408 ( -3.120 7.795 0.000) 8.396 5.842 ( -13.549 8.699 0.000) 16.101 6.185 ( -23.664 -6.013 0.000) 24.416 6.866 ( 17.230 -11.532 0.000) 20.733 7.067 ( 3.589 -19.615 0.000) 19.941 7.884 ( -12.807 0.623 0.000) 12.822 8.217 ( -9.133 -8.031 0.000) 12.162 8.379 ( -1.595 9.538 0.000) 9.670 8.603 ( -14.577 6.244 0.000) 15.858 8.917 ( -3.355 -8.211 0.000) 8.870 9.139 ( 10.660 -14.047 0.000) 17.634 9.304 ( -17.328 -10.224 0.000) 20.119 9.953 ( 9.893 9.113 0.000) 13.451 10.014 ( 8.155 7.626 0.000) 11.165 10.679 ( 7.893 -4.013 0.000) 8.855 10.958 ( -15.386 -15.945 0.000) 22.158 11.458 ( 2.217 3.699 0.000) 4.313 11.571 ( -15.758 -0.732 0.000) 15.775 11.765 ( 3.065 -0.274 0.000) 3.077 11.856 ( -5.457 -2.982 0.000) 6.219 12.170 ( -1.361 8.381 0.000) 8.491 12.758 ( -10.818 -2.198 0.000) 11.039 12.895 ( 19.201 4.373 0.000) 19.693 12.975 ( -2.114 -9.286 0.000) 9.524 13.517 ( 1.768 13.010 0.000) 13.130 13.918 ( 1.929 2.954 0.000) 3.528 14.289 ( 5.929 -7.122 0.000) 9.267 14.510 ( -4.401 -4.135 0.000) 6.039 14.650 ( -9.768 -2.859 0.000) 10.178 15.558 ( 11.576 10.081 0.000) 15.351 15.852 ( 3.904 -0.137 0.000) 3.906 16.135 ( 12.009 -4.455 0.000) 12.808 16.166 ( -2.379 0.193 0.000) 2.386 16.243 ( -14.240 4.584 0.000) 14.960 16.569 ( -5.766 0.487 0.000) 5.787 16.914 ( 0.698 -0.115 0.000) 0.707 17.397 ( 0.949 3.136 0.000) 3.277 17.542 ( 10.207 0.686 0.000) 10.230 17.655 ( -5.503 -4.290 0.000) 6.977 18.472 ( -1.813 -0.068 0.000) 1.814 19.910 ( 0.008 -0.349 0.000) 0.349 20.548 ( -0.297 0.723 0.000) 0.781 20.550 ( -7.017 3.775 0.000) 7.968 21.154 ( 21.131 3.444 0.000) 21.410 21.341 ( 2.669 -0.136 0.000) 2.673 22.217 ( 7.532 6.384 0.000) 9.873 22.748 ( 6.558 -9.773 0.000) 11.769 23.772 ( -11.497 7.766 0.000) 13.874======================= Grid point 23 (17/125) =======================q-point: (-0.44 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.275 ( 8.410 14.678 0.000) 16.916 3.578 ( 5.900 15.032 0.000) 16.149 3.589 ( 6.307 9.197 0.000) 11.152 3.979 ( 4.168 8.606 0.000) 9.562 4.612 ( 4.176 13.189 0.000) 13.834 5.252 ( -19.047 7.452 0.000) 20.453 5.343 ( -1.183 -0.147 0.000) 1.192 5.660 ( 1.486 6.067 0.000) 6.246 6.012 ( -12.864 -8.541 0.000) 15.441 7.208 ( 13.975 -1.019 0.000) 14.012 7.446 ( 1.235 -24.468 0.000) 24.499 7.768 ( -8.110 -5.434 0.000) 9.762 8.037 ( -9.595 19.217 0.000) 21.480 8.219 ( -3.226 -4.058 0.000) 5.184 8.454 ( -7.840 -5.538 0.000) 9.599 9.085 ( 8.746 -8.046 0.000) 11.884 9.296 ( -10.105 -14.224 0.000) 17.448 9.598 ( 11.731 -21.878 0.000) 24.825 9.838 ( -2.736 11.763 0.000) 12.077 10.166 ( 12.766 -6.450 0.000) 14.303 10.811 ( 7.923 2.601 0.000) 8.339 10.961 ( -12.055 -9.425 0.000) 15.302 11.296 ( -8.717 3.007 0.000) 9.221 11.473 ( 3.777 -0.421 0.000) 3.801 11.847 ( 4.303 -3.844 0.000) 5.770 11.947 ( -8.160 -5.132 0.000) 9.640 12.087 ( -0.351 -7.145 0.000) 7.154 12.625 ( -7.705 1.552 0.000) 7.860 12.998 ( 14.244 13.866 0.000) 19.879 13.069 ( -2.682 -7.761 0.000) 8.211 13.339 ( 0.957 13.547 0.000) 13.580 13.884 ( -2.097 0.523 0.000) 2.161 14.477 ( -8.559 -0.466 0.000) 8.572 14.512 ( 12.931 -2.662 0.000) 13.202 14.597 ( -5.210 -8.258 0.000) 9.764 15.533 ( 7.855 11.677 0.000) 14.073 15.860 ( 0.351 2.722 0.000) 2.745 15.907 ( -13.314 4.975 0.000) 14.213 16.155 ( -0.413 -1.573 0.000) 1.626 16.439 ( 10.389 -6.994 0.000) 12.524 16.528 ( -2.810 -3.098 0.000) 4.183 16.876 ( -4.101 3.121 0.000) 5.154 17.360 ( 1.736 3.311 0.000) 3.739 17.599 ( -8.440 -1.391 0.000) 8.554 17.615 ( 5.981 5.124 0.000) 7.876 18.415 ( -4.273 1.332 0.000) 4.476 19.916 ( 0.068 -0.343 0.000) 0.350 20.392 ( -5.850 4.526 0.000) 7.396 20.539 ( 0.064 0.258 0.000) 0.266 21.254 ( 2.943 2.657 0.000) 3.965 21.513 ( 20.381 3.081 0.000) 20.613 22.213 ( 4.260 5.775 0.000) 7.176 22.950 ( 4.258 -5.485 0.000) 6.944 23.499 ( -11.176 5.410 0.000) 12.416======================= Grid point 24 (18/125) =======================q-point: (-0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.897 ( -1.811 31.326 0.000) 31.378 3.042 ( -9.189 35.931 0.000) 37.087 3.726 ( 8.577 -2.913 0.000) 9.058 4.201 ( 17.591 -1.521 0.000) 17.656 4.335 ( -1.062 27.669 0.000) 27.690 4.824 ( -22.857 7.556 0.000) 24.073 5.331 ( -5.160 -5.662 0.000) 7.661 5.605 ( 4.306 5.870 0.000) 7.280 6.114 ( 1.316 -14.145 0.000) 14.206 7.336 ( 9.310 2.747 0.000) 9.707 7.672 ( -12.064 6.754 0.000) 13.826 7.777 ( 5.480 -7.187 0.000) 9.038 7.826 ( -13.002 -24.407 0.000) 27.654 8.290 ( 3.915 -7.197 0.000) 8.193 8.446 ( -3.653 -2.961 0.000) 4.702 9.389 ( 1.443 1.056 0.000) 1.788 9.397 ( 13.913 -10.096 0.000) 17.190 9.600 ( -11.647 -1.998 0.000) 11.817 9.937 ( -2.937 -11.456 0.000) 11.826 10.566 ( 15.144 -13.796 0.000) 20.486 10.811 ( 4.517 8.815 0.000) 9.905 10.963 ( 2.581 -8.094 0.000) 8.496 11.271 ( -11.229 -13.323 0.000) 17.424 11.546 ( 3.020 -0.933 0.000) 3.161 11.793 ( -6.704 4.933 0.000) 8.323 12.014 ( 5.246 -8.363 0.000) 9.872 12.309 ( 3.286 -11.389 0.000) 11.853 12.520 ( -3.538 -1.834 0.000) 3.985 12.876 ( 5.323 19.708 0.000) 20.414 13.123 ( -0.128 15.764 0.000) 15.764 13.134 ( -5.124 -8.096 0.000) 9.582 13.851 ( -1.495 0.296 0.000) 1.524 14.376 ( -8.074 -4.583 0.000) 9.284 14.680 ( 9.442 3.930 0.000) 10.227 14.686 ( -0.523 -7.189 0.000) 7.208 15.423 ( -0.692 8.275 0.000) 8.304 15.762 ( 2.204 2.562 0.000) 3.380 15.799 ( -0.391 4.880 0.000) 4.895 16.191 ( 0.255 -2.872 0.000) 2.883 16.570 ( -0.695 -5.144 0.000) 5.191 16.605 ( 1.690 5.467 0.000) 5.723 16.734 ( -5.897 -2.838 0.000) 6.544 17.350 ( 1.375 1.815 0.000) 2.277 17.474 ( -6.517 2.299 0.000) 6.911 17.562 ( 2.130 9.117 0.000) 9.362 18.333 ( -3.668 1.162 0.000) 3.848 19.921 ( 0.059 -0.125 0.000) 0.139 20.254 ( -3.184 4.835 0.000) 5.789 20.543 ( 0.203 -0.513 0.000) 0.552 21.240 ( 0.699 2.159 0.000) 2.269 21.729 ( 17.471 5.519 0.000) 18.322 22.154 ( -0.801 5.209 0.000) 5.270 22.981 ( 0.737 7.180 0.000) 7.218 23.357 ( -7.132 -5.694 0.000) 9.126======================= Grid point 25 (19/125) =======================q-point: (-0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.368 ( 0.000 35.273 0.000) 35.273 2.386 ( 0.000 39.267 0.000) 39.267 3.745 ( 0.000 46.265 0.000) 46.265 3.829 ( -0.000 -2.515 0.000) 2.515 4.225 ( 0.000 20.298 0.000) 20.298 4.636 ( -0.000 -11.420 0.000) 11.420 5.414 ( -0.000 -10.007 0.000) 10.007 5.578 ( 0.000 3.364 0.000) 3.364 6.403 ( -0.000 -20.452 0.000) 20.452 7.438 ( -0.000 -0.647 0.000) 0.647 7.537 ( -0.000 -8.175 0.000) 8.175 7.896 ( -0.000 -4.827 0.000) 4.827 8.007 ( -0.000 -11.198 0.000) 11.198 8.431 ( 0.000 1.133 0.000) 1.133 8.572 ( -0.000 -23.094 0.000) 23.094 9.183 ( 0.000 16.232 0.000) 16.232 9.685 ( -0.000 -8.419 0.000) 8.419 9.713 ( -0.000 -13.670 0.000) 13.670 10.000 ( -0.000 -7.160 0.000) 7.160 10.692 ( 0.000 10.566 0.000) 10.566 10.743 ( 0.000 2.010 0.000) 2.010 11.195 ( 0.000 4.606 0.000) 4.606 11.462 ( -0.000 -38.056 0.000) 38.056 11.545 ( 0.000 4.667 0.000) 4.667 11.732 ( -0.000 -4.518 0.000) 4.518 12.112 ( 0.000 8.522 0.000) 8.522 12.301 ( 0.000 8.641 0.000) 8.641 12.724 ( -0.000 -4.974 0.000) 4.974 12.749 ( -0.000 -21.126 0.000) 21.126 12.858 ( 0.000 18.821 0.000) 18.821 13.187 ( -0.000 -6.308 0.000) 6.308 13.830 ( 0.000 1.328 0.000) 1.328 14.409 ( -0.000 -6.844 0.000) 6.844 14.641 ( 0.000 7.814 0.000) 7.814 14.779 ( -0.000 -5.193 0.000) 5.193 15.297 ( 0.000 8.881 0.000) 8.881 15.702 ( 0.000 7.700 0.000) 7.700 15.841 ( -0.000 -5.337 0.000) 5.337 16.241 ( -0.000 -3.192 0.000) 3.192 16.346 ( 0.000 17.975 0.000) 17.975 16.648 ( -0.000 -5.329 0.000) 5.329 16.815 ( -0.000 -6.334 0.000) 6.334 17.307 ( 0.000 3.738 0.000) 3.738 17.405 ( 0.000 1.033 0.000) 1.033 17.420 ( 0.000 10.708 0.000) 10.708 18.298 ( -0.000 -0.520 0.000) 0.520 19.921 ( 0.000 0.137 0.000) 0.137 20.158 ( 0.000 4.701 0.000) 4.701 20.557 ( -0.000 -1.084 0.000) 1.084 21.212 ( 0.000 2.130 0.000) 2.130 21.785 ( 0.000 6.106 0.000) 6.106 22.065 ( 0.000 3.847 0.000) 3.847 22.822 ( 0.000 11.864 0.000) 11.864 23.425 ( -0.000 -8.648 0.000) 8.648======================= Grid point 30 (20/125) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.047 ( 27.536 -0.000 0.000) 27.536 3.157 ( 29.061 -0.000 0.000) 29.061 4.142 ( 3.543 -0.000 0.000) 3.543 4.679 ( -4.677 0.000 0.000) 4.677 4.908 ( 2.276 -0.000 0.000) 2.276 5.345 ( 29.240 -0.000 0.000) 29.240 5.726 ( -8.100 0.000 0.000) 8.100 5.976 ( -22.781 0.000 0.000) 22.781 6.180 ( -35.272 0.000 0.000) 35.272 6.449 ( 36.955 -0.000 0.000) 36.955 6.649 ( -7.635 0.000 0.000) 7.635 7.998 ( -13.954 0.000 0.000) 13.954 8.003 ( -4.308 0.000 0.000) 4.308 8.488 ( -8.312 0.000 0.000) 8.312 8.605 ( -2.627 0.000 0.000) 2.627 8.896 ( 7.085 -0.000 0.000) 7.085 8.975 ( -2.139 0.000 0.000) 2.139 9.126 ( -21.444 0.000 0.000) 21.444 10.191 ( 20.580 -0.000 0.000) 20.580 10.321 ( -9.449 0.000 0.000) 9.449 10.521 ( 3.584 -0.000 0.000) 3.584 10.686 ( 2.176 -0.000 0.000) 2.176 11.091 ( -24.326 0.000 0.000) 24.326 11.562 ( 4.867 -0.000 0.000) 4.867 11.721 ( -5.940 0.000 0.000) 5.940 12.339 ( -9.528 0.000 0.000) 9.528 12.347 ( -7.341 0.000 0.000) 7.341 12.483 ( -8.825 0.000 0.000) 8.825 12.782 ( 0.189 -0.000 0.000) 0.189 12.966 ( 27.718 -0.000 0.000) 27.718 13.778 ( -0.285 0.000 0.000) 0.285 14.006 ( -9.318 0.000 0.000) 9.318 14.122 ( 18.145 -0.000 0.000) 18.145 14.373 ( -9.083 0.000 0.000) 9.083 14.629 ( -6.368 0.000 0.000) 6.368 15.726 ( 12.416 -0.000 0.000) 12.416 15.843 ( 5.682 -0.000 0.000) 5.682 16.048 ( 15.241 -0.000 0.000) 15.241 16.170 ( -3.028 0.000 0.000) 3.028 16.339 ( -22.472 0.000 0.000) 22.472 16.594 ( -8.582 0.000 0.000) 8.582 16.920 ( 3.307 -0.000 0.000) 3.307 17.406 ( 0.673 -0.000 0.000) 0.673 17.542 ( 13.133 -0.000 0.000) 13.133 17.608 ( -1.614 0.000 0.000) 1.614 18.477 ( 1.349 -0.000 0.000) 1.349 19.904 ( -0.067 0.000 0.000) 0.067 20.562 ( -0.460 0.000 0.000) 0.460 20.612 ( -7.627 0.000 0.000) 7.627 21.213 ( 25.477 -0.000 0.000) 25.477 21.333 ( -0.704 0.000 0.000) 0.704 22.421 ( 4.284 -0.000 0.000) 4.284 22.482 ( 10.944 -0.000 0.000) 10.944 23.909 ( -12.627 0.000 0.000) 12.627======================= Grid point 31 (21/125) =======================q-point: ( 0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.390 ( 20.400 0.821 0.000) 20.417 3.570 ( 24.400 -3.308 0.000) 24.623 4.095 ( 2.067 12.297 0.000) 12.469 4.513 ( -6.485 12.786 0.000) 14.337 4.880 ( 1.264 4.522 0.000) 4.695 5.492 ( -4.764 10.024 0.000) 11.098 5.518 ( -12.322 8.493 0.000) 14.966 5.790 ( 2.422 3.037 0.000) 3.885 5.798 ( -15.424 -6.989 0.000) 16.933 6.662 ( -11.335 -19.512 0.000) 22.566 6.977 ( 20.325 -10.686 0.000) 22.963 7.788 ( -7.561 3.314 0.000) 8.256 8.063 ( 2.007 -5.760 0.000) 6.099 8.350 ( -6.627 0.764 0.000) 6.671 8.701 ( 5.073 -0.685 0.000) 5.119 8.825 ( 2.497 9.380 0.000) 9.706 8.897 ( -18.063 -7.930 0.000) 19.727 9.094 ( 5.712 -7.377 0.000) 9.330 10.225 ( 3.783 0.073 0.000) 3.784 10.286 ( 9.198 14.968 0.000) 17.569 10.540 ( -17.486 0.001 0.000) 17.486 10.693 ( 8.303 -9.330 0.000) 12.490 11.081 ( -12.056 -23.160 0.000) 26.110 11.542 ( -0.634 4.787 0.000) 4.829 11.710 ( -1.597 -5.369 0.000) 5.602 11.993 ( -4.569 16.702 0.000) 17.316 12.216 ( -7.144 4.398 0.000) 8.389 12.515 ( -7.972 -9.522 0.000) 12.418 12.838 ( -0.169 -5.757 0.000) 5.759 13.314 ( 25.118 5.486 0.000) 25.710 13.698 ( 0.071 9.132 0.000) 9.132 13.886 ( -6.332 -0.024 0.000) 6.332 14.322 ( -6.675 -8.017 0.000) 10.432 14.429 ( 20.982 -1.973 0.000) 21.075 14.507 ( -9.781 1.205 0.000) 9.855 15.822 ( 5.326 6.503 0.000) 8.406 15.904 ( 2.855 0.420 0.000) 2.885 15.995 ( -20.700 0.248 0.000) 20.702 16.132 ( -2.163 -0.220 0.000) 2.174 16.264 ( 11.367 -3.105 0.000) 11.784 16.481 ( -6.296 -0.245 0.000) 6.301 16.953 ( 2.130 1.599 0.000) 2.663 17.421 ( 0.266 -0.302 0.000) 0.403 17.569 ( -3.167 0.442 0.000) 3.198 17.702 ( 9.396 0.996 0.000) 9.449 18.474 ( -0.370 1.651 0.000) 1.693 19.905 ( -0.027 -0.262 0.000) 0.263 20.494 ( -6.440 1.845 0.000) 6.699 20.553 ( -0.246 0.432 0.000) 0.497 21.316 ( 0.124 1.183 0.000) 1.189 21.571 ( 24.245 0.811 0.000) 24.259 22.397 ( 2.541 5.828 0.000) 6.358 22.703 ( 6.780 -7.734 0.000) 10.285 23.696 ( -11.686 4.464 0.000) 12.510======================= Grid point 32 (22/125) =======================q-point: (-0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.586 ( 10.830 5.522 0.000) 12.156 3.851 ( 0.772 18.312 0.000) 18.329 3.895 ( 13.738 6.986 0.000) 15.412 4.150 ( -4.261 12.871 0.000) 13.558 4.819 ( 1.846 7.128 0.000) 7.363 5.128 ( -15.374 10.445 0.000) 18.586 5.308 ( -6.545 4.441 0.000) 7.910 5.790 ( -1.139 -8.269 0.000) 8.347 5.800 ( 3.808 6.639 0.000) 7.654 6.877 ( -10.646 -28.989 0.000) 30.882 7.320 ( 8.314 -7.186 0.000) 10.989 7.708 ( -1.409 -1.168 0.000) 1.831 8.182 ( 3.871 -2.758 0.000) 4.753 8.297 ( -1.849 5.499 0.000) 5.801 8.335 ( -5.211 21.984 0.000) 22.593 8.883 ( -10.193 -17.721 0.000) 20.444 9.081 ( 10.651 -10.516 0.000) 14.968 9.370 ( 4.514 -19.967 0.000) 20.471 10.087 ( 1.030 19.339 0.000) 19.367 10.224 ( -3.733 0.887 0.000) 3.837 10.594 ( 1.848 -21.361 0.000) 21.440 10.911 ( 6.354 -3.187 0.000) 7.109 11.146 ( -12.960 -6.609 0.000) 14.547 11.496 ( -0.112 -0.466 0.000) 0.479 11.781 ( -0.287 -5.593 0.000) 5.601 11.842 ( 4.351 1.868 0.000) 4.735 12.046 ( -7.386 2.906 0.000) 7.937 12.525 ( -3.874 -3.632 0.000) 5.311 12.916 ( -2.092 -6.320 0.000) 6.658 13.477 ( 16.775 14.820 0.000) 22.384 13.539 ( 0.962 11.812 0.000) 11.851 13.829 ( -3.083 -1.211 0.000) 3.312 14.301 ( -12.659 -1.581 0.000) 12.757 14.427 ( -1.378 -8.179 0.000) 8.295 14.747 ( 20.086 0.667 0.000) 20.097 15.575 ( -18.767 2.720 0.000) 18.963 15.899 ( 3.536 4.713 0.000) 5.892 15.905 ( 0.450 2.349 0.000) 2.392 16.124 ( -0.598 -1.436 0.000) 1.556 16.441 ( -2.557 -2.890 0.000) 3.859 16.456 ( 5.828 -5.554 0.000) 8.051 16.910 ( -1.100 5.482 0.000) 5.591 17.415 ( 0.413 1.362 0.000) 1.423 17.513 ( -3.058 1.021 0.000) 3.224 17.764 ( 4.336 3.975 0.000) 5.882 18.418 ( -1.251 3.721 0.000) 3.926 19.911 ( 0.016 -0.443 0.000) 0.443 20.382 ( -3.539 3.199 0.000) 4.770 20.544 ( -0.034 0.441 0.000) 0.442 21.298 ( 0.174 1.466 0.000) 1.477 21.862 ( 19.345 3.013 0.000) 19.578 22.316 ( -2.582 5.015 0.000) 5.640 22.890 ( 2.667 -7.889 0.000) 8.327 23.463 ( -7.485 7.292 0.000) 10.450======================= Grid point 33 (23/125) =======================q-point: (-0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.349 ( 0.000 28.209 0.000) 28.209 3.511 ( 0.000 33.780 0.000) 33.780 3.773 ( 0.000 0.007 0.000) 0.007 4.278 ( -0.000 -9.661 0.000) 9.661 4.686 ( 0.000 14.178 0.000) 14.178 4.785 ( 0.000 16.203 0.000) 16.203 5.223 ( -0.000 -1.246 0.000) 1.246 5.723 ( 0.000 6.194 0.000) 6.194 5.943 ( -0.000 -10.804 0.000) 10.804 7.257 ( -0.000 -31.632 0.000) 31.632 7.443 ( -0.000 -1.424 0.000) 1.424 7.753 ( -0.000 -4.339 0.000) 4.339 7.823 ( 0.000 26.318 0.000) 26.318 8.245 ( -0.000 -2.746 0.000) 2.746 8.361 ( -0.000 -4.965 0.000) 4.965 9.128 ( -0.000 -22.091 0.000) 22.091 9.344 ( -0.000 -12.122 0.000) 12.122 9.689 ( -0.000 -16.107 0.000) 16.107 9.773 ( 0.000 21.112 0.000) 21.112 10.340 ( -0.000 -19.650 0.000) 19.650 10.946 ( 0.000 4.073 0.000) 4.073 10.952 ( -0.000 -17.049 0.000) 17.049 11.020 ( 0.000 3.888 0.000) 3.888 11.535 ( -0.000 -2.986 0.000) 2.986 11.828 ( 0.000 6.362 0.000) 6.362 11.886 ( -0.000 -8.939 0.000) 8.939 12.088 ( -0.000 -15.479 0.000) 15.479 12.517 ( 0.000 1.192 0.000) 1.192 12.988 ( -0.000 -6.325 0.000) 6.325 13.307 ( 0.000 24.517 0.000) 24.517 13.342 ( 0.000 13.371 0.000) 13.371 13.828 ( -0.000 -1.214 0.000) 1.214 14.238 ( -0.000 -3.980 0.000) 3.980 14.559 ( -0.000 -8.989 0.000) 8.989 14.866 ( 0.000 6.143 0.000) 6.143 15.406 ( -0.000 -1.041 0.000) 1.041 15.855 ( 0.000 5.005 0.000) 5.005 15.860 ( 0.000 3.585 0.000) 3.585 16.152 ( -0.000 -2.445 0.000) 2.445 16.485 ( -0.000 -4.811 0.000) 4.811 16.594 ( -0.000 -7.130 0.000) 7.130 16.771 ( 0.000 10.209 0.000) 10.209 17.398 ( 0.000 1.898 0.000) 1.898 17.458 ( 0.000 2.200 0.000) 2.200 17.707 ( 0.000 7.235 0.000) 7.235 18.346 ( 0.000 3.650 0.000) 3.650 19.917 ( -0.000 -0.384 0.000) 0.384 20.300 ( 0.000 4.203 0.000) 4.203 20.540 ( 0.000 0.034 0.000) 0.034 21.275 ( 0.000 1.826 0.000) 1.826 21.965 ( 0.000 5.226 0.000) 5.226 22.203 ( 0.000 4.624 0.000) 4.624 23.014 ( -0.000 -4.831 0.000) 4.831 23.295 ( 0.000 5.747 0.000) 5.747======================= Grid point 40 (24/125) =======================q-point: ( 0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.630 ( 11.363 -0.000 0.000) 11.363 3.854 ( 17.915 -0.000 0.000) 17.915 4.233 ( 2.293 -0.000 0.000) 2.293 4.525 ( -6.804 0.000 0.000) 6.804 4.913 ( 0.002 -0.000 0.000) 0.002 5.318 ( -16.464 0.000 0.000) 16.464 5.492 ( -9.670 0.000 0.000) 9.670 5.614 ( 0.334 -0.000 0.000) 0.334 5.948 ( 7.964 -0.000 0.000) 7.964 6.323 ( -10.850 0.000 0.000) 10.850 7.092 ( 7.980 -0.000 0.000) 7.980 7.715 ( -5.205 0.000 0.000) 5.205 8.109 ( 9.009 -0.000 0.000) 9.009 8.281 ( -3.608 0.000 0.000) 3.608 8.589 ( -15.239 0.000 0.000) 15.239 8.807 ( 14.372 -0.000 0.000) 14.372 9.053 ( 2.028 -0.000 0.000) 2.028 9.080 ( 3.977 -0.000 0.000) 3.977 10.089 ( -2.979 0.000 0.000) 2.979 10.383 ( -22.077 0.000 0.000) 22.077 10.572 ( 0.498 -0.000 0.000) 0.498 10.676 ( 11.380 -0.000 0.000) 11.380 10.817 ( 5.135 -0.000 0.000) 5.135 11.518 ( -6.414 0.000 0.000) 6.414 11.674 ( 2.508 -0.000 0.000) 2.508 12.067 ( -8.023 0.000 0.000) 8.023 12.141 ( -3.701 0.000 0.000) 3.701 12.339 ( -2.719 0.000 0.000) 2.719 12.802 ( 0.548 -0.000 0.000) 0.548 13.704 ( 21.789 -0.000 0.000) 21.789 13.781 ( 0.218 -0.000 0.000) 0.218 13.807 ( -3.803 0.000 0.000) 3.803 14.153 ( -6.005 0.000 0.000) 6.005 14.367 ( -11.001 0.000 0.000) 11.001 14.751 ( 24.073 -0.000 0.000) 24.073 15.616 ( -25.771 0.000 0.000) 25.771 15.941 ( 1.546 -0.000 0.000) 1.546 15.974 ( 4.551 -0.000 0.000) 4.551 16.104 ( -1.326 0.000 0.000) 1.326 16.371 ( 6.288 -0.000 0.000) 6.288 16.401 ( -3.953 0.000 0.000) 3.953 16.996 ( 1.336 -0.000 0.000) 1.336 17.423 ( 0.417 -0.000 0.000) 0.417 17.540 ( -1.967 0.000 0.000) 1.967 17.819 ( 5.294 -0.000 0.000) 5.294 18.488 ( -0.020 0.000 0.000) 0.020 19.902 ( -0.024 0.000 0.000) 0.024 20.433 ( -3.716 0.000 0.000) 3.716 20.554 ( -0.132 0.000 0.000) 0.132 21.322 ( -0.174 0.000 0.000) 0.174 21.907 ( 20.456 -0.000 0.000) 20.456 22.414 ( -5.896 0.000 0.000) 5.896 22.737 ( 5.289 -0.000 0.000) 5.289 23.589 ( -7.482 0.000 0.000) 7.482======================= Grid point 41 (25/125) =======================q-point: (-0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.708 ( 0.000 0.699 0.000) 0.699 4.038 ( -0.000 -4.720 0.000) 4.720 4.129 ( 0.000 14.971 0.000) 14.971 4.326 ( 0.000 16.680 0.000) 16.680 4.895 ( 0.000 2.431 0.000) 2.431 5.148 ( 0.000 6.296 0.000) 6.296 5.349 ( 0.000 7.470 0.000) 7.470 5.677 ( -0.000 -6.446 0.000) 6.446 5.943 ( 0.000 6.980 0.000) 6.980 6.406 ( -0.000 -20.256 0.000) 20.256 7.234 ( -0.000 -9.980 0.000) 9.980 7.677 ( -0.000 -0.349 0.000) 0.349 8.208 ( -0.000 -0.411 0.000) 0.411 8.257 ( -0.000 -0.588 0.000) 0.588 8.550 ( -0.000 -12.557 0.000) 12.557 8.771 ( 0.000 26.233 0.000) 26.233 9.068 ( -0.000 -3.069 0.000) 3.069 9.150 ( -0.000 -12.236 0.000) 12.236 10.143 ( 0.000 1.025 0.000) 1.025 10.316 ( -0.000 -21.180 0.000) 21.180 10.390 ( 0.000 17.832 0.000) 17.832 10.876 ( -0.000 -8.324 0.000) 8.324 10.927 ( -0.000 -7.677 0.000) 7.677 11.471 ( -0.000 -0.716 0.000) 0.716 11.716 ( -0.000 -2.924 0.000) 2.924 11.980 ( 0.000 3.039 0.000) 3.039 12.014 ( 0.000 8.421 0.000) 8.421 12.408 ( -0.000 -7.652 0.000) 7.652 12.832 ( -0.000 -3.280 0.000) 3.280 13.695 ( 0.000 9.484 0.000) 9.484 13.787 ( -0.000 -0.958 0.000) 0.958 13.843 ( 0.000 9.313 0.000) 9.313 14.134 ( -0.000 -4.628 0.000) 4.628 14.302 ( -0.000 -5.191 0.000) 5.191 14.990 ( 0.000 1.990 0.000) 1.990 15.358 ( -0.000 -1.117 0.000) 1.117 15.940 ( 0.000 1.509 0.000) 1.509 15.988 ( 0.000 2.498 0.000) 2.498 16.101 ( -0.000 -0.861 0.000) 0.861 16.384 ( -0.000 -1.651 0.000) 1.651 16.437 ( -0.000 -2.704 0.000) 2.704 16.978 ( 0.000 3.489 0.000) 3.489 17.425 ( 0.000 0.194 0.000) 0.194 17.515 ( 0.000 1.187 0.000) 1.187 17.843 ( 0.000 1.938 0.000) 1.938 18.465 ( 0.000 2.838 0.000) 2.838 19.905 ( -0.000 -0.300 0.000) 0.300 20.393 ( 0.000 1.664 0.000) 1.664 20.550 ( 0.000 0.346 0.000) 0.346 21.315 ( 0.000 0.705 0.000) 0.705 22.079 ( 0.000 2.002 0.000) 2.002 22.315 ( 0.000 2.301 0.000) 2.301 22.813 ( -0.000 -4.728 0.000) 4.728 23.499 ( 0.000 4.326 0.000) 4.326======================= Grid point 81 (26/125) =======================q-point: ( 0.00 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.786 ( 0.000 0.000 38.084) 38.084 0.850 ( 0.000 0.000 41.227) 41.227 1.501 ( 0.000 0.000 70.936) 70.936 3.468 ( 0.000 0.000 16.289) 16.289 4.147 ( 0.000 0.000 21.043) 21.043 4.999 ( 0.000 0.000 -10.999) 10.999 5.284 ( 0.000 0.000 -18.091) 18.091 6.050 ( 0.000 0.000 15.333) 15.333 7.552 ( 0.000 0.000 5.309) 5.309 7.691 ( 0.000 0.000 -2.957) 2.957 8.114 ( 0.000 0.000 -1.409) 1.409 8.466 ( 0.000 0.000 12.970) 12.970 8.491 ( 0.000 0.000 -0.401) 0.401 8.637 ( 0.000 0.000 3.660) 3.660 8.739 ( 0.000 0.000 -7.560) 7.560 8.977 ( 0.000 0.000 2.890) 2.890 9.176 ( 0.000 0.000 -21.325) 21.325 9.541 ( 0.000 0.000 3.645) 3.645 9.959 ( 0.000 0.000 -18.428) 18.428 10.425 ( 0.000 0.000 -0.701) 0.701 10.592 ( 0.000 0.000 -5.203) 5.203 11.257 ( 0.000 0.000 25.640) 25.640 11.324 ( 0.000 0.000 19.599) 19.599 11.443 ( 0.000 0.000 -18.646) 18.646 11.953 ( 0.000 0.000 7.353) 7.353 12.044 ( 0.000 0.000 -8.261) 8.261 12.857 ( 0.000 0.000 -0.582) 0.582 13.256 ( 0.000 0.000 -0.464) 0.464 13.304 ( 0.000 0.000 -5.160) 5.160 13.338 ( 0.000 0.000 0.572) 0.572 13.570 ( 0.000 0.000 7.992) 7.992 13.815 ( 0.000 0.000 -0.265) 0.265 14.460 ( 0.000 0.000 -14.160) 14.160 14.546 ( 0.000 0.000 -14.354) 14.354 14.730 ( 0.000 0.000 -1.259) 1.259 14.796 ( 0.000 0.000 -4.369) 4.369 14.872 ( 0.000 0.000 -6.497) 6.497 15.011 ( 0.000 0.000 6.053) 6.053 15.193 ( 0.000 0.000 19.352) 19.352 16.487 ( 0.000 0.000 -14.393) 14.393 16.497 ( 0.000 0.000 11.511) 11.511 17.057 ( 0.000 0.000 -6.905) 6.905 17.172 ( 0.000 0.000 5.164) 5.164 17.423 ( 0.000 0.000 1.957) 1.957 17.944 ( 0.000 0.000 2.257) 2.257 17.980 ( 0.000 0.000 -0.645) 0.645 19.992 ( 0.000 0.000 -0.536) 0.536 20.425 ( 0.000 0.000 -12.111) 12.111 21.145 ( 0.000 0.000 0.984) 0.984 21.261 ( 0.000 0.000 16.298) 16.298 21.539 ( 0.000 0.000 -1.938) 1.938 22.023 ( 0.000 0.000 -0.409) 0.409 22.323 ( 0.000 0.000 3.557) 3.557 23.575 ( 0.000 0.000 -3.764) 3.764======================= Grid point 82 (27/125) =======================q-point: ( 0.11 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 19.260 -19.967 26.807) 38.577 1.180 ( 22.466 -20.177 26.461) 40.150 2.067 ( 32.121 -30.945 50.576) 67.434 3.656 ( 15.270 -7.912 13.177) 21.666 4.162 ( 2.153 0.698 21.805) 21.922 4.944 ( -1.543 4.366 -11.111) 12.037 5.261 ( -4.236 -0.926 -16.865) 17.414 6.033 ( 2.410 4.766 15.411) 16.310 7.316 ( -12.122 15.739 1.756) 19.944 7.692 ( 5.350 9.838 -5.453) 12.456 8.113 ( -19.730 4.166 4.908) 20.754 8.226 ( -2.074 -1.971 1.344) 3.161 8.354 ( -6.245 11.924 -0.282) 13.464 8.579 ( 5.485 14.529 1.670) 15.620 8.704 ( 12.358 -4.448 2.609) 13.390 9.170 ( -12.867 -14.411 -1.296) 19.363 9.290 ( -0.657 -11.725 -15.924) 19.785 9.687 ( 18.054 -3.074 -2.764) 18.521 10.063 ( 8.648 5.079 -15.793) 18.708 10.400 ( -12.586 4.265 -5.042) 14.213 10.717 ( 10.875 -14.729 -6.255) 19.348 10.944 ( -12.110 15.158 14.437) 24.183 11.354 ( -1.261 -5.246 17.784) 18.584 11.699 ( 0.831 -18.279 -6.751) 19.504 11.851 ( -5.784 15.147 -0.372) 16.218 12.014 ( 0.536 -6.413 5.062) 8.188 12.434 ( -0.586 10.661 19.196) 21.965 12.993 ( -22.101 -3.136 -2.433) 22.454 13.095 ( 0.202 23.014 -0.375) 23.018 13.511 ( -2.507 -4.026 0.298) 4.752 13.720 ( 0.632 -0.281 -1.611) 1.753 13.816 ( -2.839 14.825 -3.473) 15.489 14.399 ( -12.729 -14.740 -19.872) 27.824 14.525 ( 11.107 6.788 -10.660) 16.825 14.762 ( 4.493 2.638 -0.331) 5.220 14.880 ( 2.869 -2.379 -3.055) 4.819 14.940 ( 3.486 -6.211 -0.960) 7.187 15.207 ( 3.639 -19.177 4.066) 19.938 15.775 ( 25.902 -17.602 -18.113) 36.178 16.487 ( 0.144 -0.154 -10.683) 10.685 16.545 ( 7.101 -0.629 8.390) 11.009 17.072 ( 1.770 2.775 -4.137) 5.286 17.200 ( 2.194 -4.530 1.796) 5.344 17.414 ( -1.422 1.001 1.680) 2.418 17.684 ( -2.017 14.563 14.554) 20.688 18.130 ( -0.207 -8.193 -5.809) 10.046 20.001 ( 3.029 2.112 -0.423) 3.717 20.308 ( -1.624 11.136 -1.323) 11.331 20.892 ( -19.932 4.738 30.255) 36.539 21.143 ( -4.088 -1.753 2.108) 4.923 21.361 ( -9.179 -6.142 6.957) 13.053 22.031 ( 1.434 0.767 0.449) 1.687 22.356 ( -1.252 -6.231 2.447) 6.811 23.841 ( 21.241 8.257 -16.172) 27.944======================= Grid point 83 (28/125) =======================q-point: ( 0.22 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.804 ( 22.392 -24.757 17.179) 37.542 1.884 ( 22.903 -26.089 18.296) 39.242 3.097 ( 39.086 -32.660 27.088) 57.690 3.982 ( 8.366 -4.172 9.236) 13.141 4.186 ( 8.333 4.884 20.761) 22.898 4.889 ( 3.440 1.333 -9.701) 10.379 5.195 ( -5.184 -0.659 -12.905) 13.923 5.952 ( -0.069 9.709 14.732) 17.644 6.886 ( -7.614 16.277 2.112) 18.094 7.500 ( -8.682 13.291 0.084) 15.875 7.721 ( -20.750 1.786 4.909) 21.398 8.063 ( 0.078 10.759 -3.656) 11.364 8.333 ( -0.402 2.032 -8.353) 8.606 8.563 ( 7.085 -2.428 2.082) 7.774 8.978 ( 14.761 -4.210 2.602) 15.569 9.053 ( -10.961 3.374 0.011) 11.469 9.410 ( -4.285 -8.130 -4.324) 10.156 9.885 ( -3.243 3.439 -11.761) 12.676 10.031 ( -1.970 4.268 -3.979) 6.159 10.230 ( -0.896 -6.875 -0.664) 6.965 10.530 ( -18.587 8.317 11.604) 23.437 11.097 ( 7.395 -13.709 -4.576) 16.234 11.420 ( -1.275 -3.293 10.523) 11.099 11.614 ( -3.900 2.745 -0.434) 4.789 11.993 ( 3.790 -14.768 -4.311) 15.844 12.098 ( -0.397 -2.126 1.428) 2.592 12.430 ( 1.210 3.008 8.488) 9.086 12.470 ( -12.507 19.907 3.920) 23.834 12.936 ( 2.087 7.005 -3.230) 7.991 13.356 ( -3.801 20.060 -4.713) 20.954 13.562 ( -5.042 3.182 2.089) 6.317 13.718 ( -4.096 -2.669 0.968) 4.983 14.365 ( -7.342 -1.432 -20.570) 21.888 14.628 ( 5.019 -0.595 -6.967) 8.607 14.815 ( 5.358 -0.775 -1.888) 5.734 14.882 ( 3.174 3.295 -0.429) 4.595 15.197 ( 6.730 -13.386 -3.591) 15.407 15.570 ( 7.305 -16.062 5.817) 18.579 16.128 ( 4.736 -4.714 -10.680) 12.599 16.498 ( 1.138 0.115 -3.639) 3.815 16.699 ( 9.181 -0.106 2.717) 9.575 17.018 ( -1.723 2.677 -4.901) 5.844 17.338 ( -2.396 -1.143 6.630) 7.142 17.356 ( 3.456 -1.134 -1.510) 3.938 17.539 ( 3.690 4.138 8.280) 9.965 18.260 ( 4.683 -5.097 -5.947) 9.125 19.985 ( 1.774 4.739 1.747) 5.354 20.217 ( 4.289 1.763 2.034) 5.063 20.729 ( -9.194 -4.839 16.525) 19.519 21.086 ( -8.023 -1.740 3.613) 8.970 21.348 ( -0.466 -0.408 5.269) 5.305 22.034 ( -0.084 0.257 1.857) 1.876 22.480 ( 0.444 -10.638 0.620) 10.666 23.880 ( 8.730 12.067 -10.846) 18.425======================= Grid point 84 (29/125) =======================q-point: ( 0.33 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.471 ( 19.393 -21.916 15.521) 33.126 2.581 ( 18.756 -26.000 13.774) 34.893 3.917 ( -0.038 3.231 17.304) 17.603 4.041 ( 19.325 -13.572 12.886) 26.901 4.176 ( 6.658 10.928 9.292) 15.814 4.974 ( -0.343 -7.202 -8.314) 11.005 5.292 ( 17.009 -3.509 -5.668) 18.269 5.720 ( -7.876 9.707 11.006) 16.656 6.727 ( 9.682 6.795 5.304) 12.964 7.141 ( -12.463 10.142 -1.341) 16.124 7.427 ( -22.531 -2.151 5.918) 23.395 7.987 ( 5.509 7.872 -7.674) 12.297 8.214 ( -6.403 3.933 -9.101) 11.802 8.733 ( 0.098 -0.666 1.190) 1.367 8.847 ( 4.197 5.884 -1.086) 7.309 9.194 ( 3.994 -2.098 -2.097) 4.975 9.418 ( 3.538 5.823 11.266) 13.166 9.654 ( -19.783 -10.025 -9.859) 24.271 10.024 ( -7.577 -1.223 3.331) 8.366 10.193 ( -6.109 1.579 8.356) 10.471 10.371 ( 0.720 -3.768 1.329) 4.060 11.318 ( 0.268 -6.842 -4.583) 8.239 11.319 ( -7.615 4.782 -7.184) 11.509 11.666 ( 0.560 -5.808 5.614) 8.097 11.857 ( -9.980 21.220 7.235) 24.540 12.054 ( 0.057 6.259 5.894) 8.597 12.311 ( 7.855 -13.577 -1.692) 15.776 12.603 ( 0.837 -11.071 -3.102) 11.528 12.888 ( 4.972 6.963 -3.511) 9.249 13.041 ( 2.719 16.798 -4.895) 17.707 13.396 ( -9.065 6.799 -0.010) 11.331 13.698 ( -4.631 -2.936 1.603) 5.712 14.280 ( -4.737 0.365 -19.290) 19.867 14.659 ( 0.271 0.532 -1.609) 1.716 14.863 ( 0.537 -0.444 -1.847) 1.974 14.952 ( 8.126 0.311 -4.639) 9.362 15.501 ( 8.942 -11.236 -3.548) 14.791 15.874 ( 7.687 -9.495 7.223) 14.192 16.190 ( -0.262 -1.211 -2.864) 3.120 16.503 ( -0.163 1.177 2.138) 2.446 16.709 ( -2.388 4.165 1.784) 5.122 16.971 ( 0.768 2.499 -2.886) 3.894 17.293 ( -2.356 -0.880 0.522) 2.568 17.386 ( 0.111 -0.081 7.257) 7.259 17.677 ( 9.506 -3.912 -4.163) 11.090 18.400 ( 5.540 -2.859 -6.228) 8.812 19.939 ( 0.308 2.737 1.166) 2.991 20.316 ( 9.055 -0.326 -1.279) 9.151 20.703 ( -5.709 -5.124 13.188) 15.256 20.970 ( -8.959 0.603 5.614) 10.590 21.352 ( 1.073 0.648 3.534) 3.750 22.021 ( -1.715 -0.467 2.896) 3.398 22.675 ( 2.517 -11.241 -0.778) 11.545 23.775 ( 2.634 11.244 -7.749) 13.907======================= Grid point 85 (30/125) =======================q-point: ( 0.44 0.00 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.975 ( 10.716 -13.229 15.638) 23.117 3.171 ( 11.932 -18.647 8.646) 23.766 3.690 ( -6.558 8.955 24.459) 26.860 3.918 ( -4.407 14.583 6.977) 16.756 4.379 ( 3.637 -1.878 7.704) 8.724 5.165 ( 3.693 -5.470 -7.397) 9.913 5.428 ( 0.732 1.319 4.072) 4.342 5.736 ( 11.685 -4.054 -1.168) 12.423 6.864 ( 7.305 1.618 -0.089) 7.483 6.903 ( 3.958 3.967 4.459) 7.162 7.139 ( -22.042 -2.315 4.278) 22.573 7.898 ( -2.819 4.545 -10.642) 11.910 8.113 ( -0.105 2.606 -1.565) 3.041 8.576 ( -3.280 5.167 -11.017) 12.603 8.998 ( 6.983 -3.246 -0.840) 7.746 9.155 ( -3.565 2.998 1.693) 4.956 9.402 ( 3.049 0.365 15.451) 15.753 9.668 ( -5.836 -6.540 8.395) 12.137 9.831 ( -7.649 1.184 -6.047) 9.822 10.276 ( 2.227 -6.209 9.445) 11.521 10.402 ( -0.036 -0.159 1.312) 1.322 11.063 ( -4.903 10.420 -11.183) 16.053 11.388 ( -2.305 -4.248 -4.062) 6.313 11.505 ( -1.537 8.706 6.201) 10.799 11.813 ( -1.643 -8.699 9.416) 12.924 11.943 ( 0.727 8.175 5.823) 10.063 12.626 ( 5.571 -11.385 -3.698) 13.203 12.751 ( -0.936 -7.325 -7.651) 10.633 12.845 ( 9.197 8.976 -6.691) 14.489 12.956 ( 0.376 -0.003 -2.231) 2.262 13.115 ( -9.421 10.754 -1.312) 14.357 13.679 ( -2.035 -1.108 1.558) 2.792 14.231 ( -1.556 0.132 -18.809) 18.874 14.647 ( -0.475 0.189 1.405) 1.495 14.876 ( 0.719 0.120 -1.569) 1.730 15.032 ( 2.670 -0.235 -6.245) 6.796 15.748 ( 5.140 -5.513 -2.301) 7.881 16.086 ( 6.846 -4.449 1.557) 8.312 16.188 ( -0.423 -0.337 2.092) 2.161 16.405 ( -6.726 4.359 9.598) 12.505 16.624 ( -1.002 1.375 -1.100) 2.026 16.965 ( 0.876 0.243 0.485) 1.030 17.270 ( -0.795 0.704 1.288) 1.669 17.406 ( 0.314 -1.161 2.342) 2.632 17.825 ( 3.816 -1.831 -5.710) 7.107 18.487 ( 2.283 -0.868 -6.555) 6.995 19.914 ( 0.026 0.826 -0.006) 0.826 20.440 ( 6.184 0.176 -3.371) 7.045 20.723 ( -1.960 -5.293 11.037) 12.396 20.828 ( -5.838 3.401 9.292) 11.489 21.356 ( 0.563 0.326 2.525) 2.607 22.006 ( -1.018 -0.319 3.448) 3.609 22.849 ( 1.670 -5.813 -1.587) 6.253 23.653 ( 0.116 5.657 -6.349) 8.505======================= Grid point 91 (31/125) =======================q-point: ( 0.11 0.11 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.382 ( 30.508 -0.000 23.608) 38.575 1.411 ( 32.003 -0.000 23.444) 39.672 2.516 ( 55.327 -0.000 38.323) 67.303 3.890 ( 20.940 -0.000 8.055) 22.436 4.260 ( 12.683 -0.000 23.406) 26.622 4.954 ( -1.593 0.000 -11.769) 11.876 5.173 ( -6.453 0.000 -14.424) 15.802 6.116 ( 3.410 -0.000 15.427) 15.800 7.222 ( -15.597 0.000 4.883) 16.343 7.738 ( -33.102 0.000 6.532) 33.740 7.779 ( -10.478 0.000 -7.967) 13.163 8.228 ( 6.309 -0.000 0.602) 6.338 8.367 ( -2.932 0.000 -7.547) 8.097 8.694 ( -10.468 0.000 -9.628) 14.222 8.733 ( -7.034 0.000 -0.745) 7.073 9.014 ( 16.165 -0.000 8.846) 18.427 9.200 ( 0.123 -0.000 -7.679) 7.680 9.907 ( 18.113 -0.000 -4.906) 18.765 10.146 ( -15.110 0.000 -13.300) 20.130 10.464 ( -0.033 0.000 -0.458) 0.460 10.600 ( 6.778 -0.000 -11.702) 13.523 10.841 ( -24.930 0.000 24.674) 35.076 11.265 ( 2.894 -0.000 11.298) 11.663 11.615 ( 7.244 -0.000 -9.596) 12.023 11.866 ( -9.481 0.000 0.037) 9.481 11.979 ( 0.962 -0.000 5.405) 5.490 12.451 ( -2.790 0.000 14.736) 14.998 12.761 ( -5.869 0.000 -1.797) 6.138 13.261 ( -8.719 0.000 -0.916) 8.767 13.283 ( -13.096 0.000 2.686) 13.369 13.647 ( -3.742 0.000 0.493) 3.775 13.919 ( -1.093 0.000 -5.086) 5.202 14.224 ( -1.339 0.000 -11.978) 12.052 14.702 ( 3.386 -0.000 -9.955) 10.515 14.739 ( -3.189 0.000 -5.448) 6.313 14.926 ( 5.351 -0.000 0.864) 5.420 15.111 ( 9.829 -0.000 3.428) 10.409 15.195 ( 22.497 -0.000 2.389) 22.624 15.979 ( 15.798 -0.000 -21.707) 26.847 16.495 ( 1.524 -0.000 -9.979) 10.095 16.688 ( 13.319 -0.000 3.962) 13.896 17.092 ( -5.304 0.000 4.035) 6.664 17.237 ( 10.465 -0.000 -5.828) 11.978 17.378 ( -5.620 0.000 1.488) 5.814 17.703 ( -10.932 0.000 10.900) 15.438 18.099 ( 8.382 -0.000 -0.646) 8.407 20.080 ( 4.925 -0.000 0.506) 4.951 20.416 ( -0.546 0.000 -11.471) 11.484 20.472 ( -19.479 0.000 31.522) 37.055 21.073 ( -2.781 0.000 7.414) 7.918 21.357 ( 3.850 -0.000 9.366) 10.127 22.083 ( 3.888 -0.000 -0.499) 3.920 22.265 ( -2.856 0.000 3.872) 4.812 24.140 ( 6.815 -0.000 -21.262) 22.327======================= Grid point 92 (32/125) =======================q-point: ( 0.22 0.11 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.936 ( 32.200 -11.095 15.617) 37.467 1.974 ( 30.730 -11.479 19.550) 38.187 3.432 ( 53.019 -13.232 22.685) 59.167 4.074 ( 5.504 1.696 9.626) 11.217 4.519 ( 22.143 7.786 13.753) 27.204 4.917 ( -1.568 1.328 -10.753) 10.947 5.147 ( 5.028 -4.570 -6.380) 9.321 6.077 ( -2.636 9.125 14.777) 17.567 6.945 ( -8.654 7.666 5.092) 12.633 7.310 ( -30.101 -5.575 6.187) 31.232 7.453 ( -22.631 7.416 -4.591) 24.253 8.259 ( 5.600 7.519 -5.961) 11.110 8.324 ( -7.639 4.576 -11.049) 14.191 8.558 ( 2.233 -5.977 -3.348) 7.206 8.720 ( -14.232 -12.431 0.379) 18.900 9.182 ( 0.357 -0.253 1.192) 1.270 9.302 ( 14.368 -2.015 5.311) 15.450 9.801 ( -22.516 5.627 -5.062) 23.754 10.157 ( 5.075 5.988 -6.731) 10.340 10.255 ( 4.634 5.159 0.090) 6.935 10.374 ( -22.623 7.915 17.480) 29.665 10.882 ( -0.824 -17.479 -6.145) 18.546 11.400 ( 6.156 -4.235 11.359) 13.596 11.656 ( -0.991 8.697 -2.885) 9.216 11.826 ( 1.092 -11.412 -3.589) 12.013 12.074 ( 4.766 -6.295 -4.757) 9.218 12.421 ( -2.558 1.922 7.647) 8.289 12.584 ( -8.929 13.615 2.949) 16.547 12.986 ( -8.581 2.558 -2.822) 9.388 13.237 ( -13.099 -8.559 -0.930) 15.675 13.621 ( 0.546 4.252 -1.421) 4.517 13.764 ( -0.791 11.638 2.586) 11.948 14.225 ( -3.903 -2.948 -15.063) 15.837 14.694 ( -1.691 1.517 -4.463) 5.008 14.747 ( -3.133 -6.093 -6.066) 9.151 15.060 ( 6.875 -1.844 -3.668) 8.007 15.255 ( 18.544 2.499 -0.322) 18.715 15.582 ( 18.936 -7.028 8.626) 21.964 16.131 ( 3.185 -2.368 -11.251) 11.930 16.530 ( 2.924 0.227 -5.554) 6.281 16.849 ( 6.470 4.395 2.282) 8.148 17.009 ( -1.846 -0.737 -3.316) 3.865 17.259 ( -8.031 0.226 4.697) 9.306 17.405 ( 6.615 -1.385 -0.532) 6.779 17.569 ( -3.089 -0.844 4.856) 5.817 18.267 ( 7.720 -4.349 -2.653) 9.249 20.066 ( -1.887 4.338 7.501) 8.868 20.340 ( 8.617 2.201 0.235) 8.896 20.495 ( -3.849 -7.246 2.798) 8.669 21.024 ( -2.992 1.486 9.115) 9.708 21.388 ( 1.911 1.275 6.590) 6.979 22.086 ( 2.548 4.749 1.487) 5.591 22.341 ( 2.197 -9.654 1.647) 10.037 24.102 ( -0.693 7.897 -13.714) 15.840======================= Grid point 93 (33/125) =======================q-point: ( 0.33 0.11 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.557 ( 27.387 -11.626 17.151) 34.342 2.588 ( 26.630 -15.499 11.898) 33.029 4.022 ( 0.727 8.928 14.738) 17.247 4.262 ( 31.024 -5.783 10.459) 33.246 4.485 ( 3.344 16.670 4.524) 17.593 4.907 ( 4.838 -4.587 -6.786) 9.513 5.520 ( 25.364 -4.916 0.547) 25.841 5.750 ( -11.901 13.335 10.322) 20.640 6.903 ( 7.367 -1.708 4.455) 8.777 6.978 ( -26.667 -1.295 3.294) 26.901 7.049 ( -20.362 -0.089 0.439) 20.367 8.061 ( -12.541 4.783 -16.520) 21.285 8.278 ( 6.645 5.685 -2.077) 8.988 8.575 ( -14.709 -6.093 -2.784) 16.162 8.852 ( 7.531 -8.410 0.921) 11.327 9.131 ( -10.939 -2.963 3.305) 11.806 9.381 ( -14.418 3.465 0.903) 14.856 9.565 ( 12.059 -0.505 8.860) 14.973 9.936 ( -12.653 7.681 3.801) 15.282 10.014 ( -8.824 0.615 7.811) 11.801 10.457 ( 8.736 -3.655 0.111) 9.471 11.083 ( -4.558 -13.079 -8.826) 16.423 11.414 ( 0.267 8.293 -6.036) 10.261 11.622 ( 4.602 -1.666 8.284) 9.622 11.976 ( -7.497 -0.338 -0.441) 7.518 12.112 ( -7.665 2.665 3.930) 9.017 12.229 ( 4.611 6.499 0.681) 7.998 12.462 ( 0.705 -8.217 -1.537) 8.390 12.924 ( -3.187 -1.187 -2.874) 4.453 13.138 ( -11.517 -2.140 -6.365) 13.332 13.435 ( -0.876 14.127 -2.325) 14.344 13.730 ( 6.578 3.164 3.631) 8.153 14.204 ( -4.092 -2.655 -14.664) 15.454 14.640 ( -3.459 0.086 -1.478) 3.763 14.793 ( -3.621 -5.615 -4.261) 7.924 15.135 ( 8.010 4.923 -6.551) 11.459 15.547 ( 16.749 -4.745 -2.366) 17.568 15.913 ( 13.688 -5.533 11.491) 18.709 16.173 ( -0.001 -0.965 -4.283) 4.390 16.541 ( 0.277 3.183 0.970) 3.339 16.712 ( -7.739 5.117 -0.822) 9.314 17.007 ( -1.238 2.567 1.083) 3.049 17.244 ( 1.913 -3.773 -0.235) 4.237 17.419 ( 1.170 2.350 5.383) 5.989 17.670 ( 2.118 -7.254 -4.751) 8.926 18.412 ( 3.718 -3.409 -4.377) 6.679 19.982 ( -1.244 3.185 4.484) 5.639 20.440 ( 2.363 -0.955 -5.392) 5.964 20.591 ( 8.938 -2.454 5.378) 10.716 20.942 ( -2.955 3.231 11.172) 11.999 21.381 ( 0.126 1.266 4.431) 4.610 22.059 ( 3.596 4.005 2.777) 6.057 22.561 ( 5.287 -10.940 -0.114) 12.151 23.928 ( -4.224 9.665 -9.195) 13.993======================= Grid point 94 (34/125) =======================q-point: ( 0.44 0.11 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.039 ( 18.940 -6.870 17.540) 26.713 3.163 ( 20.828 -13.085 7.566) 25.735 3.808 ( -2.604 14.949 20.380) 25.408 4.151 ( -4.745 21.903 5.430) 23.060 4.483 ( 7.382 5.199 6.012) 10.847 5.194 ( 10.315 -4.063 -5.271) 12.275 5.423 ( -5.722 3.498 3.971) 7.793 5.828 ( 2.000 2.321 -1.189) 3.286 6.726 ( -18.426 -7.178 6.613) 20.851 6.842 ( -4.455 -1.993 -0.587) 4.916 7.133 ( 15.546 -3.456 1.993) 16.049 7.858 ( -8.695 -0.547 -15.183) 17.505 8.232 ( 2.243 10.003 3.500) 10.833 8.421 ( -14.617 -3.543 -7.935) 17.005 8.980 ( -11.800 -6.267 7.534) 15.339 9.018 ( -0.651 -2.708 -2.842) 3.979 9.323 ( 0.827 -4.643 11.409) 12.345 9.719 ( -4.505 -1.535 7.229) 8.655 9.752 ( 7.463 -3.625 1.675) 8.464 10.017 ( -2.635 -8.329 7.701) 11.646 10.592 ( 8.762 2.165 1.458) 9.142 11.080 ( -9.028 1.179 -14.561) 17.173 11.342 ( 1.684 1.093 -7.234) 7.508 11.624 ( -5.460 11.135 9.017) 15.333 11.738 ( 4.780 -1.016 8.521) 9.823 12.090 ( 1.171 7.081 4.828) 8.650 12.314 ( -10.530 -21.530 -0.391) 23.970 12.628 ( 2.753 -6.352 -9.031) 11.379 12.842 ( -7.771 3.311 -2.839) 8.912 13.049 ( -0.268 0.048 -7.027) 7.032 13.233 ( 0.581 12.114 -3.670) 12.671 13.776 ( 6.425 3.664 0.792) 7.439 14.208 ( 0.099 -1.934 -14.348) 14.478 14.609 ( -2.569 -1.824 0.644) 3.216 14.804 ( -5.354 -4.322 -2.132) 7.203 15.151 ( 6.527 6.670 -7.346) 11.876 15.801 ( 9.387 -1.429 -1.748) 9.655 16.127 ( 5.046 -1.684 2.038) 5.696 16.185 ( 1.608 -1.116 3.254) 3.797 16.393 ( -5.729 4.941 8.973) 11.737 16.607 ( -2.794 0.138 -1.250) 3.064 16.965 ( -1.040 0.316 2.434) 2.666 17.298 ( 1.930 1.578 -0.994) 2.684 17.430 ( 3.580 0.703 1.505) 3.946 17.762 ( -3.704 -5.494 -5.249) 8.454 18.467 ( -1.370 -1.624 -5.217) 5.634 19.933 ( -0.479 1.762 1.342) 2.266 20.433 ( -4.361 -0.734 -3.551) 5.672 20.771 ( 8.344 0.589 7.218) 11.049 20.881 ( 7.076 3.988 9.749) 12.689 21.361 ( -0.696 0.653 3.124) 3.266 22.068 ( 5.516 3.681 3.163) 7.347 22.792 ( 5.271 -8.284 -1.077) 9.878 23.710 ( -6.647 7.813 -6.848) 12.333======================= Grid point 95 (35/125) =======================q-point: (-0.44 0.11 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.133 ( -0.792 17.613 14.638) 22.916 3.359 ( -2.052 17.953 7.246) 19.468 3.708 ( 8.361 -3.041 24.965) 26.503 3.886 ( 5.316 0.676 6.548) 8.461 4.441 ( 0.469 9.245 6.561) 11.346 5.244 ( 3.133 3.934 -7.570) 9.089 5.326 ( -13.439 1.650 -1.859) 13.667 5.658 ( -6.863 3.930 2.075) 8.176 6.524 ( -19.785 -6.282 9.737) 22.929 6.973 ( 8.908 -1.241 -4.663) 10.131 7.406 ( 15.136 -3.075 -3.047) 15.743 7.883 ( 2.447 -4.639 -6.048) 8.006 8.103 ( -0.772 1.666 4.231) 4.612 8.357 ( -10.384 -11.567 -6.767) 16.954 8.850 ( -14.017 -1.948 8.202) 16.356 9.113 ( 4.139 -6.199 3.958) 8.439 9.339 ( -2.064 1.665 -0.513) 2.701 9.856 ( 2.666 -11.055 -3.775) 11.982 9.933 ( 13.825 -0.432 15.111) 20.486 10.114 ( 0.083 -5.474 3.240) 6.361 10.648 ( 8.804 7.840 4.021) 12.456 10.950 ( -3.544 -4.135 -10.402) 11.741 11.383 ( -2.008 -7.175 -4.063) 8.486 11.511 ( 2.409 3.268 0.123) 4.062 11.857 ( 4.892 -4.302 10.031) 11.961 11.990 ( 2.260 8.482 6.376) 10.849 12.443 ( -14.695 -17.051 -2.412) 22.638 12.639 ( -7.362 4.555 -4.780) 9.889 12.702 ( -2.496 -2.785 -7.599) 8.469 13.045 ( 1.733 12.119 -6.046) 13.654 13.156 ( 4.643 -5.014 -2.373) 7.233 13.799 ( 3.526 2.596 -2.123) 4.866 14.265 ( 4.592 -0.778 -14.318) 15.057 14.613 ( -1.821 -2.062 0.923) 2.902 14.787 ( -5.416 -4.519 -0.190) 7.056 15.118 ( 5.286 8.792 -7.396) 12.647 15.788 ( -5.084 7.369 -1.682) 9.109 16.064 ( -4.700 3.558 0.377) 5.907 16.208 ( 1.680 0.117 3.655) 4.024 16.455 ( 7.205 -3.114 9.176) 12.075 16.596 ( -0.037 -2.710 -0.195) 2.717 16.934 ( -3.223 0.469 1.372) 3.535 17.297 ( 2.098 1.105 0.929) 2.547 17.454 ( 2.629 2.872 -0.402) 3.915 17.720 ( -9.428 -1.480 -4.596) 10.593 18.430 ( -5.217 -0.152 -5.455) 7.550 19.911 ( -0.235 0.555 -0.286) 0.667 20.348 ( -6.302 1.317 -2.688) 6.977 20.771 ( -0.437 0.837 16.361) 16.388 21.049 ( 18.234 4.615 2.293) 18.949 21.351 ( 1.067 0.441 2.264) 2.541 22.092 ( 5.418 3.843 3.132) 7.344 22.914 ( 2.584 1.373 -1.447) 3.264 23.546 ( -7.184 -1.008 -5.763) 9.265======================= Grid point 96 (36/125) =======================q-point: (-0.33 0.11 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.667 ( -8.988 29.561 14.238) 34.020 2.795 ( -14.592 31.740 11.104) 36.656 3.935 ( 7.546 -3.841 23.060) 24.565 4.050 ( 3.347 -0.093 3.974) 5.197 4.112 ( -8.702 21.452 12.213) 26.173 4.989 ( -19.328 6.226 -3.271) 20.568 5.229 ( 6.287 3.345 -12.330) 14.238 5.671 ( 1.794 -6.056 10.547) 12.293 6.438 ( -9.417 -12.317 5.627) 16.494 7.142 ( 8.437 -7.390 -5.330) 12.417 7.594 ( 0.848 -4.426 -7.281) 8.562 7.942 ( 8.751 1.644 10.616) 13.856 8.229 ( 4.920 -4.776 -4.869) 8.409 8.452 ( -14.478 -22.450 0.023) 26.714 8.694 ( -4.795 -0.250 7.767) 9.132 9.201 ( -5.326 8.017 -4.790) 10.751 9.330 ( 6.330 -8.885 2.176) 11.124 9.940 ( -4.772 -5.686 1.164) 7.514 10.116 ( 7.286 4.783 -6.673) 10.977 10.257 ( 18.234 -0.880 9.876) 20.756 10.592 ( 6.949 10.976 1.241) 13.050 11.170 ( -0.237 -16.146 -3.471) 16.517 11.469 ( -0.184 5.218 -5.101) 7.300 11.556 ( 1.135 -20.062 -0.941) 20.117 11.864 ( -0.221 6.794 4.030) 7.903 12.027 ( 8.320 -1.213 12.052) 14.695 12.332 ( -6.805 6.182 -0.520) 9.208 12.649 ( -2.066 -11.497 -3.589) 12.220 12.717 ( -3.860 -8.253 -6.211) 11.027 12.839 ( -2.671 12.101 -3.689) 12.930 13.331 ( -0.201 -10.598 -1.407) 10.692 13.800 ( 1.304 1.660 -2.776) 3.487 14.343 ( 3.703 -0.623 -13.245) 13.767 14.612 ( -1.108 -1.479 -0.409) 1.893 14.803 ( -1.898 -4.119 0.447) 4.557 15.040 ( 6.106 11.873 -7.807) 15.466 15.536 ( -9.588 8.650 -5.003) 13.849 15.953 ( -0.559 7.506 3.843) 8.451 16.217 ( 0.206 1.469 1.008) 1.793 16.512 ( 0.529 0.797 -0.398) 1.036 16.673 ( -0.495 -1.384 4.680) 4.905 16.903 ( -1.835 -4.284 0.021) 4.660 17.321 ( 1.182 -0.216 -0.275) 1.233 17.424 ( 0.992 3.513 3.612) 5.135 17.558 ( -10.875 2.397 -2.034) 11.320 18.339 ( -6.060 0.892 -5.537) 8.257 19.906 ( -0.601 -0.564 -0.754) 1.117 20.235 ( -5.209 1.981 -1.141) 5.689 20.772 ( 1.106 -0.265 18.362) 18.397 21.182 ( 8.196 3.729 2.074) 9.240 21.406 ( 11.129 3.155 1.036) 11.614 22.094 ( 2.727 3.829 2.844) 5.494 22.822 ( -0.421 10.600 -1.183) 10.674 23.540 ( -7.060 -9.602 -5.496) 13.124======================= Grid point 97 (37/125) =======================q-point: (-0.22 0.11 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.039 ( -10.340 33.956 14.441) 38.321 2.074 ( -13.428 34.289 14.750) 39.669 3.330 ( -12.837 43.919 24.586) 51.943 4.014 ( -3.695 12.348 6.753) 14.551 4.108 ( 2.988 -2.694 23.512) 23.854 4.766 ( -6.754 -5.220 -7.891) 11.625 5.303 ( 6.307 1.959 -14.950) 16.344 5.792 ( -1.661 -9.426 15.300) 18.047 6.657 ( 1.969 -22.153 -2.469) 22.377 7.402 ( 3.996 -8.909 -2.008) 9.969 7.689 ( 0.431 -15.737 -7.171) 17.299 8.104 ( 11.574 -1.476 16.298) 20.044 8.282 ( -3.236 -2.446 1.423) 4.299 8.420 ( -10.796 -2.030 2.278) 11.219 8.891 ( 2.136 -7.766 5.755) 9.899 8.978 ( -4.111 -2.196 -9.122) 10.244 9.483 ( -0.287 -2.733 -9.700) 10.082 9.940 ( 1.728 4.700 0.699) 5.056 10.134 ( 2.836 3.285 -3.831) 5.789 10.393 ( 9.017 6.545 -4.304) 11.944 10.671 ( 12.646 -2.267 7.299) 14.776 11.077 ( -14.669 7.254 -7.227) 17.889 11.487 ( 2.947 -2.378 2.607) 4.597 11.686 ( -0.121 10.866 -1.304) 10.944 12.083 ( 1.481 -26.908 7.172) 27.887 12.141 ( 3.621 1.018 9.507) 10.224 12.172 ( 3.315 -1.559 1.320) 3.894 12.536 ( -3.399 16.839 -2.750) 17.397 12.866 ( 8.217 -10.985 -3.312) 14.112 12.989 ( -0.026 -25.603 -2.242) 25.701 13.416 ( -11.280 -10.853 -2.168) 15.802 13.791 ( 1.386 2.235 -0.474) 2.672 14.367 ( -1.539 -0.732 -10.502) 10.639 14.635 ( 0.500 -1.209 0.780) 1.523 14.841 ( 1.107 -1.510 -0.945) 2.098 14.953 ( 7.992 12.525 -10.463) 18.172 15.297 ( -4.961 8.947 -9.901) 14.237 15.795 ( 2.794 15.558 -1.382) 15.867 16.132 ( -6.222 5.794 -3.342) 9.135 16.496 ( 0.114 1.128 0.683) 1.323 16.589 ( -7.602 1.350 1.534) 7.872 16.988 ( 1.183 -4.312 -2.216) 4.990 17.303 ( -4.890 -0.112 -0.161) 4.894 17.386 ( 0.747 2.726 8.399) 8.862 17.430 ( -2.225 -1.165 5.072) 5.660 18.252 ( -3.069 1.317 -6.260) 7.096 19.910 ( -1.176 -1.832 -0.533) 2.241 20.161 ( -2.065 0.266 1.067) 2.340 20.809 ( 1.937 -1.769 21.209) 21.370 21.194 ( 0.777 1.968 1.719) 2.726 21.539 ( 15.193 5.806 -0.367) 16.269 22.057 ( -0.439 2.790 2.347) 3.672 22.641 ( -0.531 11.320 -0.362) 11.338 23.578 ( -8.410 -8.988 -5.414) 13.447======================= Grid point 98 (38/125) =======================q-point: (-0.11 0.11 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.413 ( 0.000 32.502 20.812) 38.594 1.448 ( 0.000 34.202 19.627) 39.433 2.504 ( 0.000 48.324 41.107) 63.442 3.732 ( 0.000 15.268 11.700) 19.235 4.145 ( -0.000 -0.581 22.310) 22.318 4.857 ( -0.000 -8.283 -10.291) 13.211 5.315 ( 0.000 1.944 -17.072) 17.183 5.915 ( -0.000 -8.217 15.806) 17.815 7.070 ( -0.000 -25.891 -4.190) 26.228 7.513 ( -0.000 -7.272 -3.359) 8.010 8.081 ( -0.000 -25.885 -1.372) 25.921 8.249 ( 0.000 2.742 0.502) 2.788 8.265 ( -0.000 -7.138 14.335) 16.014 8.337 ( -0.000 -0.972 7.837) 7.897 8.715 ( 0.000 9.614 0.704) 9.640 9.299 ( -0.000 -18.234 -4.362) 18.748 9.432 ( 0.000 5.935 -18.409) 19.343 9.730 ( 0.000 23.480 -6.649) 24.403 10.056 ( 0.000 6.485 -5.799) 8.700 10.492 ( -0.000 -3.914 -3.539) 5.276 10.767 ( 0.000 12.354 -6.211) 13.828 10.857 ( -0.000 -8.022 7.373) 10.896 11.449 ( 0.000 7.878 17.385) 19.086 11.676 ( -0.000 -9.838 -4.439) 10.793 11.960 ( 0.000 13.676 1.046) 13.716 12.212 ( 0.000 17.659 0.116) 17.659 12.266 ( -0.000 -7.362 16.672) 18.225 12.671 ( -0.000 -31.901 1.627) 31.942 13.250 ( -0.000 -12.754 -4.807) 13.630 13.257 ( -0.000 -10.462 -6.729) 12.439 13.502 ( -0.000 -24.206 1.102) 24.231 13.757 ( 0.000 3.848 1.253) 4.046 14.353 ( -0.000 -1.194 -9.273) 9.349 14.664 ( -0.000 -3.080 2.422) 3.918 14.830 ( 0.000 13.699 -18.012) 22.630 14.883 ( -0.000 -1.150 0.630) 1.311 15.095 ( 0.000 14.274 -12.921) 19.253 15.545 ( 0.000 21.728 -10.206) 24.006 15.861 ( 0.000 18.198 -2.241) 18.335 16.490 ( 0.000 0.015 13.038) 13.038 16.503 ( 0.000 1.400 -13.185) 13.259 17.034 ( -0.000 -1.327 -5.166) 5.334 17.237 ( 0.000 2.818 2.076) 3.500 17.417 ( -0.000 -0.232 1.873) 1.887 17.474 ( -0.000 -10.843 19.679) 22.469 18.210 ( 0.000 2.453 -8.036) 8.402 19.937 ( -0.000 -3.098 -0.193) 3.104 20.182 ( -0.000 -5.250 2.701) 5.904 20.883 ( -0.000 -5.809 26.813) 27.436 21.168 ( 0.000 1.498 1.163) 1.897 21.602 ( 0.000 3.966 -2.080) 4.478 22.019 ( 0.000 0.905 1.592) 1.831 22.478 ( 0.000 9.293 0.874) 9.334 23.589 ( -0.000 -3.670 -5.161) 6.333======================= Grid point 101 (39/125) =======================q-point: ( 0.22 0.22 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.332 ( 33.490 -0.000 11.147) 35.296 2.369 ( 33.456 -0.000 18.672) 38.314 4.102 ( 50.661 -0.000 15.311) 52.924 4.162 ( 4.308 -0.000 9.765) 10.673 4.793 ( 0.709 -0.000 -0.461) 0.846 4.918 ( -0.540 0.000 -10.292) 10.307 5.366 ( 35.873 -0.000 8.088) 36.773 6.116 ( -5.634 0.000 14.008) 15.099 6.752 ( -34.043 0.000 0.634) 34.049 6.907 ( -8.146 0.000 9.684) 12.654 7.111 ( -27.379 0.000 -7.880) 28.491 8.246 ( -15.306 0.000 -6.574) 16.658 8.265 ( -13.766 0.000 -11.226) 17.763 8.536 ( 4.201 -0.000 3.105) 5.224 8.543 ( 10.742 -0.000 -0.642) 10.761 9.080 ( -8.662 0.000 7.904) 11.726 9.472 ( -25.680 0.000 -0.883) 25.695 9.608 ( 21.157 -0.000 4.660) 21.664 10.047 ( -27.314 0.000 20.135) 33.933 10.311 ( 7.899 -0.000 -4.857) 9.273 10.365 ( -4.351 0.000 -10.640) 11.495 10.677 ( -0.278 0.000 -1.625) 1.648 11.466 ( 5.703 -0.000 7.446) 9.379 11.678 ( -8.410 0.000 3.702) 9.188 11.754 ( -1.331 0.000 -5.281) 5.446 12.128 ( 15.895 -0.000 -10.742) 19.184 12.452 ( -0.577 0.000 3.468) 3.516 12.581 ( -6.114 0.000 -2.250) 6.514 12.872 ( -14.699 0.000 2.295) 14.878 12.922 ( -9.997 0.000 1.350) 10.087 13.712 ( 6.140 -0.000 -2.884) 6.784 13.834 ( -2.229 0.000 1.018) 2.451 14.132 ( -6.803 0.000 -11.968) 13.766 14.625 ( -5.526 0.000 -0.412) 5.542 14.662 ( -2.946 0.000 -7.951) 8.479 15.174 ( 11.349 -0.000 -6.056) 12.863 15.549 ( 17.957 -0.000 -0.661) 17.969 15.821 ( 18.498 -0.000 13.391) 22.837 16.144 ( 1.047 -0.000 -8.646) 8.709 16.581 ( 3.200 -0.000 -5.125) 6.042 16.852 ( -12.372 0.000 -0.534) 12.383 17.079 ( 12.570 -0.000 -3.092) 12.945 17.125 ( -9.287 0.000 7.006) 11.633 17.466 ( -1.124 0.000 5.326) 5.443 17.519 ( 3.459 -0.000 -4.265) 5.491 18.345 ( 6.648 -0.000 -1.992) 6.940 20.049 ( -3.744 0.000 10.871) 11.497 20.399 ( -0.712 0.000 -9.936) 9.961 20.570 ( 17.499 -0.000 2.673) 17.702 20.992 ( -3.570 0.000 10.091) 10.704 21.409 ( -0.254 0.000 6.313) 6.318 22.239 ( 6.578 -0.000 -0.982) 6.651 22.269 ( 4.694 -0.000 4.140) 6.258 24.101 ( -6.711 0.000 -11.715) 13.501======================= Grid point 102 (40/125) =======================q-point: ( 0.33 0.22 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.841 ( 29.665 -5.744 8.837) 31.482 2.863 ( 30.186 -3.786 17.193) 34.945 4.175 ( 3.313 6.278 12.225) 14.137 4.656 ( 11.032 7.128 3.912) 13.705 4.705 ( 6.715 8.268 0.040) 10.652 4.983 ( 16.606 -4.913 -3.521) 17.671 5.795 ( -14.282 17.442 7.311) 23.699 5.918 ( 31.178 3.622 6.222) 31.998 6.464 ( -25.402 -13.489 2.650) 28.883 6.609 ( -26.251 -8.666 -6.796) 28.467 6.996 ( 4.213 -2.893 10.786) 11.935 7.931 ( -14.058 5.661 -12.213) 19.463 8.178 ( -13.754 -8.570 -3.675) 16.617 8.533 ( 7.448 6.134 4.387) 10.599 8.837 ( 8.998 -9.915 -0.977) 13.425 8.944 ( -10.090 -0.390 11.495) 15.300 9.123 ( -19.915 -0.920 4.822) 20.511 9.660 ( -23.665 -0.767 13.489) 27.251 9.849 ( 16.777 8.041 0.934) 18.628 10.145 ( -1.497 11.865 -3.255) 12.395 10.466 ( 6.230 -6.526 -2.632) 9.398 10.809 ( -4.718 -12.235 -5.815) 14.344 11.480 ( -7.535 -3.990 -2.984) 9.034 11.624 ( -7.602 -7.024 6.780) 12.373 11.716 ( 2.045 0.865 -1.668) 2.777 12.219 ( -6.466 16.656 -0.744) 17.882 12.395 ( -4.960 8.023 6.061) 11.212 12.473 ( 17.978 -1.748 -11.351) 21.333 12.818 ( -6.186 -12.100 -3.320) 13.989 12.860 ( -7.633 -3.374 0.968) 8.401 13.658 ( 1.081 13.043 -4.970) 13.999 13.849 ( 4.128 0.658 -2.165) 4.708 14.073 ( -4.827 -5.861 -9.246) 11.964 14.555 ( -6.524 -2.074 1.042) 6.925 14.656 ( -2.589 -3.522 -4.866) 6.542 15.323 ( 10.500 2.547 -8.927) 14.015 15.787 ( 17.136 1.600 -1.069) 17.244 16.057 ( 12.257 -1.666 16.676) 20.763 16.157 ( -0.223 -0.863 -4.511) 4.599 16.570 ( -7.788 4.080 1.552) 8.928 16.629 ( -8.788 1.291 -4.168) 9.811 17.005 ( -3.284 1.934 6.986) 7.958 17.268 ( 7.777 -2.777 -4.750) 9.526 17.460 ( 1.901 -0.199 1.986) 2.756 17.591 ( 0.720 -3.103 -3.806) 4.963 18.423 ( 2.451 -0.903 -2.982) 3.965 19.992 ( -2.129 1.520 6.855) 7.337 20.394 ( -1.976 -1.203 -7.769) 8.106 20.835 ( 17.217 2.562 1.873) 17.507 20.938 ( 0.545 -0.161 10.020) 10.036 21.391 ( -0.961 0.924 5.553) 5.711 22.230 ( 7.452 6.988 1.808) 10.375 22.495 ( 7.483 -9.817 0.788) 12.369 23.942 ( -9.290 5.110 -8.904) 13.845======================= Grid point 103 (41/125) =======================q-point: ( 0.44 0.22 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.279 ( 22.701 -1.826 16.906) 28.363 3.347 ( 24.649 -6.725 6.848) 26.452 4.038 ( 0.859 15.615 17.458) 23.438 4.384 ( -6.867 19.319 2.849) 20.700 4.709 ( 6.601 8.124 1.099) 10.525 5.313 ( 8.602 -2.137 -4.274) 9.840 5.388 ( -9.504 9.452 -1.957) 13.546 5.832 ( -13.130 7.957 -0.294) 15.356 6.332 ( -19.480 -8.171 8.760) 22.869 6.787 ( 13.085 -13.276 -3.996) 19.064 7.208 ( 9.265 -10.400 8.754) 16.451 7.707 ( -8.051 1.634 -12.671) 15.101 8.135 ( -8.120 -6.668 -0.880) 10.543 8.492 ( 2.302 14.985 5.758) 16.217 8.707 ( -13.242 -2.183 9.909) 16.683 8.970 ( -1.921 -4.125 1.588) 4.819 9.217 ( 4.592 -13.934 9.284) 17.362 9.424 ( -16.520 -10.642 9.329) 21.753 9.872 ( 8.520 6.875 -4.871) 11.982 10.091 ( 7.322 4.665 5.112) 10.075 10.667 ( 6.445 -6.299 -0.790) 9.046 10.827 ( -12.671 -9.001 -9.623) 18.280 11.419 ( -2.938 3.422 -6.580) 7.977 11.628 ( -11.249 -6.775 4.289) 13.814 11.779 ( 1.682 -4.231 3.246) 5.591 11.907 ( -3.434 4.717 3.663) 6.889 12.227 ( -2.863 6.510 5.690) 9.108 12.662 ( -1.273 -0.888 -10.256) 10.373 12.808 ( 5.283 3.027 -5.694) 8.336 12.953 ( 1.152 -8.310 -3.406) 9.055 13.465 ( 1.643 13.937 -6.351) 15.404 13.837 ( -2.818 0.484 -7.722) 8.235 14.181 ( 3.929 -5.804 -7.042) 9.935 14.523 ( -3.798 -4.177 0.746) 5.695 14.661 ( -3.290 -2.464 0.929) 4.214 15.388 ( 9.412 7.243 -9.859) 15.435 15.942 ( 6.501 3.621 0.305) 7.448 16.145 ( -3.054 1.581 -1.056) 3.597 16.205 ( 2.197 -0.566 5.030) 5.518 16.357 ( -3.250 -1.512 12.053) 12.575 16.560 ( -3.755 0.085 -0.295) 3.768 16.964 ( -0.292 1.346 4.226) 4.444 17.352 ( 2.103 0.713 -3.408) 4.068 17.520 ( 5.823 1.016 -2.719) 6.506 17.618 ( -3.789 -3.321 -2.961) 5.844 18.432 ( -1.611 0.470 -3.730) 4.090 19.947 ( -0.978 1.451 2.956) 3.435 20.365 ( -3.891 -0.286 -5.584) 6.812 20.823 ( -1.814 2.464 13.032) 13.386 21.168 ( 21.305 2.502 1.426) 21.499 21.368 ( 0.698 0.637 3.483) 3.609 22.241 ( 7.120 5.834 2.153) 9.453 22.745 ( 6.704 -9.155 -0.165) 11.349 23.701 ( -10.594 7.293 -6.715) 14.509======================= Grid point 104 (42/125) =======================q-point: (-0.44 0.22 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.448 ( 7.143 16.321 14.664) 23.075 3.629 ( 5.255 14.122 5.118) 15.914 3.848 ( 7.471 6.436 20.560) 22.802 4.023 ( 2.376 7.987 6.428) 10.524 4.640 ( 3.075 11.519 3.087) 12.316 5.077 ( -20.741 1.620 -8.117) 22.332 5.399 ( 6.668 4.051 -3.935) 8.738 5.643 ( -3.313 2.905 1.048) 4.529 6.165 ( -16.192 -5.797 10.420) 20.109 7.064 ( 5.117 -5.298 -9.698) 12.178 7.477 ( 5.277 -7.295 -2.243) 9.279 7.692 ( -2.972 -9.430 -2.128) 10.114 8.151 ( -1.026 -2.167 -2.829) 3.708 8.212 ( -1.871 11.689 15.218) 19.280 8.635 ( -8.115 -4.258 13.449) 16.275 9.081 ( 4.368 -7.164 1.060) 8.457 9.311 ( -2.380 -6.284 0.000) 6.720 9.611 ( -2.483 -13.597 2.270) 14.007 9.984 ( 5.891 -8.353 11.082) 15.076 10.154 ( 9.220 -1.061 0.020) 9.281 10.784 ( -6.036 -11.047 -11.944) 17.353 10.840 ( 5.616 1.664 0.833) 5.917 11.265 ( -7.021 4.410 -2.649) 8.704 11.538 ( -3.339 0.233 1.389) 3.624 11.875 ( 0.882 -4.457 4.206) 6.192 11.988 ( -1.388 -11.458 1.912) 11.699 12.134 ( -1.863 -1.539 5.925) 6.399 12.565 ( -7.327 0.931 -5.535) 9.229 12.826 ( 8.114 10.535 -12.503) 18.252 13.081 ( 1.352 -5.233 -2.697) 6.041 13.278 ( 0.958 13.697 -7.018) 15.420 13.797 ( -2.955 -1.425 -7.922) 8.574 14.277 ( -1.959 -3.699 -9.632) 10.502 14.586 ( 1.481 -5.761 1.064) 6.042 14.661 ( 2.214 0.026 4.655) 5.155 15.385 ( 8.730 9.862 -9.752) 16.388 15.770 ( -14.177 7.117 -1.687) 15.953 16.074 ( 0.568 2.127 0.941) 2.394 16.232 ( 1.476 -0.091 7.768) 7.907 16.464 ( 0.678 -3.754 3.166) 4.957 16.567 ( 3.874 -4.615 5.159) 7.932 16.908 ( -3.621 3.414 2.952) 5.786 17.349 ( 1.499 1.888 -0.913) 2.578 17.536 ( -2.146 1.381 -5.271) 5.857 17.596 ( -0.452 1.612 -1.810) 2.466 18.372 ( -3.829 1.817 -3.914) 5.769 19.919 ( -0.426 1.021 0.332) 1.155 20.295 ( -4.468 1.351 -3.887) 6.074 20.780 ( -0.256 1.158 16.303) 16.346 21.286 ( 2.638 2.991 3.522) 5.320 21.503 ( 19.338 2.593 -0.951) 19.534 22.239 ( 3.935 5.339 2.369) 7.043 22.942 ( 4.478 -5.091 -0.710) 6.817 23.444 ( -10.487 5.225 -5.223) 12.829======================= Grid point 105 (43/125) =======================q-point: (-0.33 0.22 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.064 ( -2.075 31.514 13.733) 34.438 3.112 ( -9.603 33.344 7.186) 35.436 4.004 ( 9.259 -2.281 23.173) 25.059 4.199 ( 14.090 -1.470 1.689) 14.266 4.399 ( -1.151 22.306 6.069) 23.146 4.745 ( -20.974 3.171 -3.920) 21.571 5.413 ( 6.522 5.557 -7.702) 11.521 5.594 ( -2.985 -1.970 10.398) 10.995 6.130 ( -6.217 -11.946 0.987) 13.503 7.195 ( 8.547 -2.480 -9.782) 13.225 7.490 ( -7.960 -0.364 -9.786) 12.620 7.878 ( -7.481 -22.615 3.130) 24.025 8.113 ( 4.543 1.872 21.499) 22.054 8.234 ( 2.681 -2.516 0.825) 3.768 8.611 ( -2.427 -3.606 10.925) 11.758 9.243 ( 1.335 -5.173 -6.196) 8.181 9.343 ( 2.236 6.828 -6.450) 9.655 9.709 ( -1.153 -14.580 8.518) 16.925 10.080 ( -6.549 -5.810 8.256) 12.034 10.512 ( 15.513 -9.964 -2.857) 18.658 10.827 ( 5.123 7.728 0.742) 9.302 10.955 ( 4.598 -11.436 -3.051) 12.697 11.202 ( -9.119 -13.211 -1.587) 16.131 11.471 ( -5.310 1.523 -7.847) 9.597 11.897 ( -0.512 0.591 8.833) 8.868 12.131 ( 4.798 -7.067 9.163) 12.527 12.292 ( 1.794 -11.773 -1.077) 11.957 12.478 ( -3.257 -2.679 -3.882) 5.732 12.706 ( 2.568 14.175 -13.023) 19.419 13.058 ( -0.146 15.355 -7.125) 16.928 13.145 ( -4.418 -5.669 -1.771) 7.402 13.802 ( 0.014 -1.549 -4.776) 5.021 14.269 ( -5.987 -5.046 -7.186) 10.628 14.694 ( 0.901 -5.139 0.029) 5.217 14.729 ( 9.074 3.669 3.703) 10.465 15.339 ( 6.896 11.253 -9.834) 16.459 15.471 ( -12.599 4.352 -6.299) 14.743 16.067 ( 4.096 3.670 0.948) 5.581 16.223 ( -2.208 1.107 7.120) 7.536 16.496 ( -0.866 -2.566 -4.249) 5.038 16.694 ( 1.008 3.350 7.260) 8.059 16.796 ( -3.181 -3.875 4.846) 6.973 17.338 ( 0.008 1.959 -1.574) 2.513 17.455 ( -3.481 1.750 -1.369) 4.130 17.542 ( 0.618 5.784 -1.046) 5.910 18.287 ( -3.252 1.907 -3.948) 5.459 19.901 ( -0.332 0.660 -1.221) 1.427 20.213 ( -2.632 2.202 -2.149) 4.049 20.776 ( 0.474 -0.194 18.612) 18.619 21.262 ( 0.295 2.338 2.242) 3.253 21.712 ( 16.443 5.225 -1.701) 17.337 22.183 ( -0.691 4.954 2.648) 5.660 22.969 ( 0.770 7.549 -1.072) 7.664 23.316 ( -6.348 -5.907 -3.978) 9.540======================= Grid point 106 (44/125) =======================q-point: (-0.22 0.22 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.487 ( 0.000 36.363 9.648) 37.621 2.538 ( 0.000 35.140 14.257) 37.923 3.900 ( 0.000 36.559 15.488) 39.704 4.120 ( 0.000 0.734 25.210) 25.221 4.230 ( 0.000 15.058 1.590) 15.142 4.578 ( -0.000 -8.788 -5.375) 10.302 5.401 ( 0.000 3.800 -13.373) 13.902 5.642 ( -0.000 -7.505 16.505) 18.132 6.334 ( -0.000 -19.515 -5.468) 20.266 7.370 ( -0.000 -2.572 -5.852) 6.392 7.443 ( -0.000 -11.767 -6.188) 13.295 8.110 ( -0.000 -14.900 7.490) 16.677 8.164 ( -0.000 -1.581 21.997) 22.054 8.307 ( -0.000 -4.291 -5.785) 7.202 8.704 ( -0.000 -11.396 7.405) 13.591 9.096 ( 0.000 14.968 -5.577) 15.973 9.403 ( -0.000 -6.853 -12.731) 14.458 9.960 ( -0.000 -9.216 9.527) 13.255 10.078 ( -0.000 -5.065 5.338) 7.359 10.609 ( 0.000 8.557 -5.529) 10.188 10.800 ( 0.000 3.217 3.995) 5.129 11.037 ( 0.000 4.351 -12.796) 13.515 11.438 ( -0.000 -3.734 -7.514) 8.391 11.548 ( -0.000 -36.502 7.306) 37.226 11.855 ( 0.000 6.545 7.711) 10.114 12.224 ( 0.000 4.914 9.064) 10.310 12.292 ( 0.000 7.270 -0.773) 7.311 12.645 ( -0.000 -12.019 -5.507) 13.221 12.702 ( -0.000 -18.898 -4.415) 19.407 12.801 ( 0.000 16.393 -5.751) 17.373 13.178 ( -0.000 -5.613 -2.442) 6.121 13.819 ( 0.000 0.056 -1.201) 1.202 14.303 ( -0.000 -4.871 -7.076) 8.591 14.700 ( 0.000 6.071 2.965) 6.756 14.793 ( -0.000 -4.546 1.832) 4.902 15.218 ( 0.000 12.221 -11.014) 16.452 15.332 ( 0.000 2.774 -12.625) 12.926 16.039 ( 0.000 8.883 -11.681) 14.675 16.139 ( 0.000 3.850 10.846) 11.509 16.521 ( -0.000 -1.212 -8.271) 8.359 16.563 ( 0.000 6.223 12.991) 14.404 16.906 ( -0.000 -7.443 3.925) 8.415 17.285 ( 0.000 2.901 -1.411) 3.226 17.420 ( 0.000 0.522 1.155) 1.268 17.454 ( 0.000 5.583 3.702) 6.699 18.240 ( 0.000 0.888 -4.657) 4.741 19.892 ( 0.000 0.070 -1.647) 1.648 20.163 ( 0.000 1.779 -0.423) 1.828 20.793 ( -0.000 -1.388 20.265) 20.312 21.228 ( 0.000 2.278 1.564) 2.764 21.759 ( 0.000 5.936 -2.476) 6.432 22.099 ( 0.000 4.010 3.032) 5.027 22.811 ( 0.000 11.583 -1.005) 11.626 23.390 ( -0.000 -8.396 -3.427) 9.069======================= Grid point 111 (45/125) =======================q-point: ( 0.33 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.215 ( 27.549 -0.000 5.609) 28.115 3.261 ( 27.838 -0.000 18.077) 33.192 4.283 ( 4.442 -0.000 11.710) 12.524 4.709 ( -3.452 0.000 3.356) 4.815 4.853 ( 1.106 -0.000 -5.710) 5.816 5.278 ( 21.761 -0.000 -2.687) 21.926 5.861 ( -11.009 0.000 6.987) 13.039 5.866 ( -25.938 0.000 -9.504) 27.625 6.050 ( -30.143 0.000 -3.403) 30.335 6.523 ( 36.437 -0.000 6.661) 37.041 6.979 ( -1.720 0.000 23.040) 23.104 7.874 ( -4.460 0.000 -7.153) 8.430 7.896 ( -10.124 0.000 -7.174) 12.408 8.649 ( -5.333 0.000 13.242) 14.276 8.797 ( -7.371 0.000 13.883) 15.719 8.867 ( 9.795 -0.000 -1.169) 9.864 8.947 ( -1.936 0.000 -1.080) 2.217 9.308 ( -23.198 0.000 14.585) 27.402 10.144 ( -8.705 0.000 -13.789) 16.307 10.200 ( 18.203 -0.000 0.343) 18.206 10.483 ( 2.697 -0.000 -5.412) 6.046 10.704 ( 3.335 -0.000 2.435) 4.129 11.084 ( -24.834 0.000 -1.086) 24.858 11.664 ( 4.325 -0.000 8.828) 9.830 11.670 ( -5.158 0.000 -4.947) 7.147 12.315 ( -7.872 0.000 -2.381) 8.224 12.374 ( -5.712 0.000 1.466) 5.897 12.481 ( -11.249 0.000 0.843) 11.280 12.783 ( 6.089 -0.000 -2.818) 6.709 12.842 ( 18.675 -0.000 -8.864) 20.671 13.798 ( -1.142 0.000 -0.677) 1.327 13.893 ( -7.920 0.000 -7.437) 10.864 13.927 ( 6.689 -0.000 -16.349) 17.665 14.441 ( -5.849 0.000 3.499) 6.815 14.628 ( 1.875 -0.000 1.091) 2.169 15.492 ( 9.680 -0.000 -10.451) 14.245 16.036 ( 14.231 -0.000 -1.474) 14.307 16.137 ( -0.257 0.000 -0.028) 0.259 16.190 ( 6.827 -0.000 16.929) 18.254 16.355 ( -20.587 0.000 1.889) 20.673 16.571 ( -4.623 0.000 -1.007) 4.731 16.998 ( 0.346 -0.000 6.162) 6.172 17.329 ( 3.235 -0.000 -5.279) 6.191 17.507 ( 4.320 -0.000 -4.252) 6.061 17.600 ( 3.146 -0.000 -0.901) 3.272 18.444 ( 0.905 -0.000 -3.193) 3.319 19.975 ( -1.689 0.000 6.128) 6.356 20.354 ( -2.804 0.000 -8.508) 8.958 20.873 ( -3.598 0.000 12.606) 13.110 21.199 ( 24.686 -0.000 -1.295) 24.720 21.382 ( -1.218 0.000 5.480) 5.614 22.411 ( 4.249 -0.000 -1.027) 4.371 22.514 ( 10.584 -0.000 3.115) 11.033 23.829 ( -11.349 0.000 -7.492) 13.599======================= Grid point 112 (46/125) =======================q-point: ( 0.44 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.592 ( 21.980 -0.453 9.550) 23.969 3.627 ( 22.188 -1.803 12.766) 25.662 4.269 ( 2.961 10.153 15.149) 18.475 4.540 ( -7.078 13.424 2.598) 15.397 4.847 ( 1.672 2.294 -3.127) 4.223 5.230 ( -20.963 9.487 -14.496) 27.195 5.508 ( -0.304 3.548 -2.948) 4.622 5.733 ( -8.046 0.590 -5.228) 9.613 5.933 ( -9.989 -11.244 5.987) 16.188 6.820 ( 2.327 1.279 13.525) 13.783 7.150 ( 12.432 -14.073 15.875) 24.589 7.720 ( -1.467 4.957 -5.856) 7.811 7.975 ( 2.217 -7.051 -3.223) 8.064 8.526 ( -7.795 -0.963 11.967) 14.314 8.779 ( 1.954 10.462 5.013) 11.765 8.865 ( 3.701 -1.059 5.632) 6.822 9.031 ( -18.831 -6.378 11.741) 23.089 9.116 ( 6.214 -9.164 3.459) 11.600 10.103 ( 2.988 -3.623 -10.702) 11.687 10.231 ( 4.849 9.959 -5.650) 12.435 10.532 ( -14.710 7.963 -0.074) 16.727 10.690 ( 8.641 -10.989 -0.549) 13.991 11.056 ( -10.831 -21.525 -1.933) 24.174 11.544 ( -4.108 3.805 -2.636) 6.189 11.765 ( 2.242 -3.901 6.701) 8.072 12.033 ( -4.545 14.367 2.858) 15.338 12.233 ( -7.695 3.458 2.393) 8.769 12.476 ( -7.749 -7.903 -3.560) 11.627 12.834 ( -0.052 -4.186 -0.270) 4.195 13.152 ( 22.476 4.063 -15.384) 27.538 13.683 ( 0.410 12.501 -4.108) 13.165 13.759 ( -6.011 -0.515 -11.371) 12.872 14.092 ( -1.269 -9.187 -14.535) 17.242 14.393 ( -4.343 -3.552 1.478) 5.802 14.705 ( 10.103 0.975 9.481) 13.889 15.588 ( 7.049 3.125 -10.913) 13.362 15.962 ( -19.310 4.835 0.307) 19.908 16.121 ( -0.287 0.876 -0.215) 0.946 16.233 ( 4.380 0.589 7.907) 9.058 16.315 ( 5.117 -4.790 11.475) 13.446 16.502 ( -3.727 -0.335 1.991) 4.239 16.998 ( 0.948 1.951 3.881) 4.446 17.368 ( 1.040 -0.893 -3.979) 4.208 17.522 ( -1.903 -0.164 -4.415) 4.811 17.673 ( 7.023 1.781 -3.028) 7.852 18.436 ( -0.646 1.611 -3.701) 4.087 19.949 ( -0.929 0.711 3.839) 4.014 20.309 ( -3.596 -0.088 -7.208) 8.055 20.826 ( -1.408 1.206 14.894) 15.009 21.354 ( -0.658 1.285 4.139) 4.383 21.549 ( 23.606 0.538 -2.059) 23.702 22.400 ( 1.823 4.674 0.082) 5.018 22.716 ( 7.043 -6.621 1.373) 9.763 23.635 ( -10.600 4.299 -5.769) 12.811======================= Grid point 113 (47/125) =======================q-point: (-0.44 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.784 ( 10.324 9.615 15.659) 21.076 3.922 ( 12.269 6.558 3.176) 14.269 4.089 ( 3.564 13.210 20.833) 24.925 4.159 ( -5.399 12.997 1.601) 14.165 4.811 ( -4.763 7.907 -4.326) 10.194 4.829 ( -11.879 2.677 -10.125) 15.837 5.522 ( 2.837 -0.917 4.179) 5.133 5.658 ( 0.482 4.099 -7.559) 8.612 5.907 ( -9.163 -4.487 5.020) 11.371 6.850 ( -5.748 -12.871 3.107) 14.435 7.470 ( 7.285 -6.992 10.039) 14.239 7.665 ( -0.645 2.948 -3.621) 4.714 8.126 ( 5.326 -4.581 -0.160) 7.027 8.420 ( -2.518 15.405 8.116) 17.593 8.517 ( -3.432 2.986 16.099) 16.729 8.947 ( -7.272 -10.224 5.753) 13.803 9.122 ( 6.697 -13.622 4.042) 15.708 9.399 ( 2.953 -17.005 2.960) 17.511 10.059 ( 2.430 11.230 -2.315) 11.721 10.218 ( -7.584 3.056 -0.942) 8.231 10.461 ( 3.638 -21.092 -11.048) 24.087 10.922 ( 6.141 -3.739 1.176) 7.286 11.143 ( -10.830 -7.550 -0.282) 13.205 11.464 ( -2.448 0.141 -5.025) 5.592 11.838 ( 2.688 -1.710 6.319) 7.076 11.901 ( 1.817 -1.262 3.720) 4.328 12.080 ( -7.105 1.834 4.410) 8.561 12.469 ( -3.891 -2.892 -5.041) 6.995 12.891 ( -1.184 -4.044 -2.352) 4.826 13.302 ( 13.904 12.368 -16.494) 24.866 13.489 ( -0.053 13.066 -7.020) 14.832 13.727 ( -1.532 -2.611 -9.287) 9.768 14.116 ( -8.414 -5.119 -11.140) 14.870 14.447 ( -1.287 -8.465 1.765) 8.742 14.875 ( 16.788 3.669 8.595) 19.214 15.587 ( -10.684 4.690 -1.360) 11.747 15.611 ( -5.315 4.737 -8.789) 11.311 16.119 ( 1.285 0.396 0.621) 1.481 16.255 ( 0.882 1.498 12.812) 12.929 16.403 ( -1.010 -2.918 0.283) 3.101 16.542 ( 3.091 -5.127 6.317) 8.703 16.944 ( -1.200 5.283 3.101) 6.242 17.382 ( 0.481 0.332 -2.553) 2.619 17.485 ( -2.314 0.596 -2.629) 3.553 17.706 ( 3.571 4.348 -5.257) 7.700 18.380 ( -1.256 3.541 -3.704) 5.276 19.928 ( -0.345 0.900 1.481) 1.767 20.259 ( -2.539 0.655 -5.321) 5.932 20.797 ( -0.053 1.259 17.154) 17.200 21.324 ( -0.406 1.575 2.662) 3.120 21.836 ( 18.755 2.729 -2.446) 19.110 22.326 ( -2.907 4.038 0.803) 5.040 22.892 ( 2.819 -7.176 0.274) 7.714 23.418 ( -6.721 7.206 -4.275) 10.742======================= Grid point 114 (48/125) =======================q-point: (-0.33 0.33 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.515 ( 0.000 27.858 14.284) 31.306 3.544 ( 0.000 32.080 3.124) 32.231 4.071 ( 0.000 0.207 26.443) 26.444 4.274 ( -0.000 -8.283 -0.277) 8.288 4.565 ( 0.000 7.342 -11.896) 13.979 4.712 ( 0.000 11.308 2.886) 11.670 5.526 ( 0.000 2.261 16.470) 16.624 5.591 ( 0.000 5.594 -10.361) 11.775 5.927 ( -0.000 -8.338 -1.540) 8.479 7.080 ( -0.000 -20.222 -8.373) 21.887 7.515 ( 0.000 11.976 -10.892) 16.188 7.622 ( -0.000 -6.801 9.397) 11.600 8.195 ( 0.000 7.301 23.797) 24.892 8.224 ( -0.000 -2.630 1.723) 3.144 8.531 ( -0.000 -3.969 12.345) 12.967 9.086 ( -0.000 -13.090 -2.544) 13.335 9.447 ( -0.000 -19.182 8.412) 20.945 9.517 ( 0.000 5.410 -8.744) 10.283 9.937 ( 0.000 0.288 7.602) 7.607 10.334 ( -0.000 -20.489 0.024) 20.489 10.812 ( -0.000 -16.600 -11.629) 20.268 10.959 ( 0.000 3.825 1.876) 4.261 11.067 ( 0.000 2.162 3.822) 4.391 11.441 ( 0.000 0.834 -9.491) 9.528 11.897 ( -0.000 -0.691 8.394) 8.422 12.031 ( -0.000 -5.838 10.300) 11.839 12.060 ( -0.000 -14.812 -2.553) 15.031 12.461 ( 0.000 0.483 -5.102) 5.124 12.915 ( 0.000 1.785 -7.607) 7.813 13.165 ( 0.000 14.397 -11.518) 18.437 13.284 ( 0.000 13.988 -7.724) 15.978 13.769 ( -0.000 -2.863 -6.328) 6.945 14.123 ( -0.000 -5.921 -7.089) 9.236 14.574 ( -0.000 -8.623 1.138) 8.698 14.950 ( 0.000 7.837 6.717) 10.322 15.376 ( 0.000 1.051 -3.208) 3.376 15.534 ( 0.000 7.958 -11.103) 13.660 16.137 ( -0.000 -0.017 -1.775) 1.775 16.221 ( 0.000 2.465 13.626) 13.847 16.441 ( -0.000 -3.307 -2.638) 4.230 16.666 ( -0.000 -7.329 6.454) 9.766 16.820 ( 0.000 8.475 4.624) 9.654 17.373 ( 0.000 1.657 -2.309) 2.842 17.449 ( 0.000 1.273 -0.834) 1.522 17.647 ( 0.000 6.175 -4.926) 7.899 18.310 ( 0.000 3.728 -3.458) 5.085 19.912 ( 0.000 0.939 -0.347) 1.001 20.223 ( 0.000 1.560 -3.556) 3.883 20.783 ( 0.000 0.649 18.435) 18.446 21.295 ( 0.000 1.938 1.953) 2.752 21.933 ( 0.000 5.060 -2.982) 5.873 22.228 ( 0.000 3.879 2.247) 4.483 23.010 ( -0.000 -4.540 -0.362) 4.554 23.255 ( 0.000 5.787 -3.734) 6.887======================= Grid point 121 (49/125) =======================q-point: ( 0.44 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.871 ( 16.651 -0.000 1.781) 16.746 3.873 ( 12.856 -0.000 20.567) 24.255 4.402 ( 3.113 -0.000 14.585) 14.914 4.538 ( -8.462 0.000 1.358) 8.570 4.871 ( 0.881 -0.000 -4.740) 4.821 5.048 ( -17.455 0.000 -17.557) 24.757 5.354 ( -8.790 0.000 -11.751) 14.675 5.701 ( 2.045 -0.000 3.447) 4.008 5.815 ( -2.452 0.000 -1.904) 3.104 6.831 ( -4.579 0.000 35.281) 35.577 7.187 ( 9.099 -0.000 8.050) 12.149 7.708 ( -3.439 0.000 -0.495) 3.475 8.033 ( 9.837 -0.000 -3.188) 10.340 8.443 ( -1.804 0.000 10.996) 11.143 8.714 ( -17.388 0.000 10.799) 20.469 8.845 ( 9.128 -0.000 2.552) 9.478 9.073 ( 3.893 -0.000 2.725) 4.752 9.118 ( 5.229 -0.000 5.575) 7.644 9.959 ( -0.616 0.000 -11.181) 11.198 10.352 ( -23.201 0.000 -2.849) 23.375 10.514 ( 0.066 -0.000 -5.685) 5.686 10.604 ( 8.994 -0.000 -6.232) 10.942 10.873 ( 6.188 -0.000 4.974) 7.940 11.487 ( -5.822 0.000 -3.858) 6.984 11.773 ( 2.513 -0.000 8.507) 8.870 12.105 ( -8.101 0.000 4.170) 9.111 12.134 ( -3.624 0.000 -0.626) 3.678 12.317 ( -2.534 0.000 -1.953) 3.199 12.808 ( 0.397 -0.000 0.434) 0.588 13.495 ( 19.191 -0.000 -19.205) 27.150 13.681 ( -3.515 0.000 -11.142) 11.683 13.823 ( 0.038 -0.000 3.799) 3.799 13.923 ( -6.685 0.000 -23.379) 24.316 14.301 ( -4.106 0.000 0.853) 4.193 14.931 ( 18.682 -0.000 11.456) 21.915 15.661 ( -24.008 0.000 3.324) 24.237 15.686 ( 3.553 -0.000 -10.869) 11.435 16.118 ( -0.491 0.000 1.215) 1.310 16.298 ( 1.426 -0.000 16.498) 16.560 16.339 ( 2.408 -0.000 -0.324) 2.430 16.469 ( 0.555 -0.000 4.279) 4.315 17.029 ( 0.694 -0.000 2.953) 3.034 17.374 ( 0.742 -0.000 -3.587) 3.663 17.499 ( -1.423 0.000 -3.745) 4.006 17.776 ( 4.515 -0.000 -4.502) 6.376 18.445 ( -0.260 0.000 -4.167) 4.175 19.944 ( -0.504 0.000 3.724) 3.758 20.265 ( -2.317 0.000 -7.478) 7.828 20.823 ( -0.373 0.000 16.667) 16.672 21.349 ( -0.816 0.000 2.822) 2.938 21.876 ( 20.066 -0.000 -2.927) 20.278 22.397 ( -6.170 0.000 -1.663) 6.390 22.762 ( 5.162 -0.000 2.391) 5.689 23.540 ( -6.633 0.000 -4.484) 8.006======================= Grid point 122 (50/125) =======================q-point: (-0.44 0.44 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.957 ( 0.000 1.916 20.238) 20.329 4.045 ( -0.000 -4.522 2.161) 5.012 4.324 ( 0.000 12.416 17.073) 21.110 4.332 ( 0.000 16.186 0.368) 16.190 4.789 ( 0.000 9.552 -21.232) 23.281 4.879 ( 0.000 1.798 -1.001) 2.058 5.423 ( -0.000 -11.070 -4.098) 11.804 5.759 ( 0.000 2.535 -12.484) 12.739 5.759 ( -0.000 -3.197 7.654) 8.295 6.733 ( 0.000 3.330 25.635) 25.850 7.372 ( -0.000 -12.082 11.790) 16.882 7.682 ( 0.000 0.308 0.361) 0.474 8.132 ( -0.000 -2.004 -1.110) 2.291 8.473 ( 0.000 0.144 14.608) 14.609 8.579 ( -0.000 -2.699 0.652) 2.776 8.867 ( 0.000 11.154 10.885) 15.585 9.073 ( -0.000 -0.530 1.132) 1.250 9.194 ( -0.000 -11.771 4.248) 12.514 10.114 ( 0.000 0.658 -2.880) 2.954 10.196 ( -0.000 -20.557 -10.081) 22.896 10.319 ( 0.000 16.923 -6.541) 18.143 10.841 ( -0.000 -12.956 -3.447) 13.407 10.963 ( -0.000 -4.721 3.561) 5.913 11.442 ( -0.000 -0.168 -4.124) 4.127 11.810 ( -0.000 -2.376 8.290) 8.624 12.013 ( 0.000 8.390 -0.061) 8.390 12.028 ( 0.000 1.650 5.161) 5.419 12.371 ( -0.000 -6.104 -3.354) 6.965 12.831 ( -0.000 -2.572 -0.172) 2.578 13.594 ( 0.000 8.149 -19.057) 20.726 13.667 ( 0.000 11.383 -8.304) 14.090 13.690 ( -0.000 -1.594 -11.903) 12.009 13.947 ( -0.000 -6.586 -10.544) 12.432 14.319 ( -0.000 -6.253 2.285) 6.657 15.126 ( 0.000 3.159 10.557) 11.019 15.402 ( 0.000 0.469 2.950) 2.987 15.693 ( 0.000 2.552 -10.799) 11.096 16.119 ( -0.000 -0.555 1.529) 1.627 16.293 ( 0.000 1.767 14.393) 14.501 16.360 ( -0.000 -1.639 0.146) 1.645 16.505 ( -0.000 -2.833 5.180) 5.905 17.008 ( 0.000 3.378 2.639) 4.286 17.383 ( -0.000 -0.356 -3.067) 3.088 17.483 ( 0.000 0.687 -3.040) 3.117 17.789 ( 0.000 2.615 -5.323) 5.931 18.422 ( 0.000 2.572 -4.140) 4.874 19.936 ( 0.000 0.524 2.787) 2.836 20.246 ( 0.000 0.175 -6.666) 6.668 20.814 ( 0.000 0.857 17.547) 17.568 21.337 ( 0.000 0.746 2.180) 2.304 22.044 ( 0.000 1.934 -3.333) 3.854 22.308 ( 0.000 1.204 -0.879) 1.491 22.829 ( -0.000 -3.893 1.635) 4.223 23.458 ( 0.000 4.254 -3.798) 5.702======================= Grid point 162 (51/125) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.578 ( 0.000 0.000 38.370) 38.370 1.707 ( 0.000 0.000 41.466) 41.466 2.902 ( 0.000 0.000 63.274) 63.274 3.883 ( 0.000 0.000 19.235) 19.235 4.661 ( 0.000 0.000 -21.266) 21.266 4.671 ( 0.000 0.000 26.200) 26.200 4.840 ( 0.000 0.000 -20.104) 20.104 6.320 ( 0.000 0.000 4.467) 4.467 7.646 ( 0.000 0.000 3.460) 3.460 7.691 ( 0.000 0.000 6.050) 6.050 8.080 ( 0.000 0.000 -1.748) 1.748 8.516 ( 0.000 0.000 4.601) 4.601 8.523 ( 0.000 0.000 -13.586) 13.586 8.686 ( 0.000 0.000 -22.805) 22.805 8.716 ( 0.000 0.000 -0.796) 0.796 8.782 ( 0.000 0.000 15.853) 15.853 9.124 ( 0.000 0.000 15.195) 15.195 9.622 ( 0.000 0.000 -12.990) 12.990 9.654 ( 0.000 0.000 7.319) 7.319 10.397 ( 0.000 0.000 -2.450) 2.450 10.476 ( 0.000 0.000 -6.635) 6.635 10.963 ( 0.000 0.000 -27.753) 27.753 11.718 ( 0.000 0.000 15.011) 15.011 11.766 ( 0.000 0.000 22.366) 22.366 11.858 ( 0.000 0.000 -8.290) 8.290 12.088 ( 0.000 0.000 5.888) 5.888 12.875 ( 0.000 0.000 3.631) 3.631 13.179 ( 0.000 0.000 -6.051) 6.051 13.294 ( 0.000 0.000 3.616) 3.616 13.346 ( 0.000 0.000 -0.226) 0.226 13.716 ( 0.000 0.000 5.117) 5.117 13.813 ( 0.000 0.000 0.108) 0.108 14.218 ( 0.000 0.000 -8.682) 8.682 14.245 ( 0.000 0.000 -13.657) 13.657 14.522 ( 0.000 0.000 -14.369) 14.369 14.648 ( 0.000 0.000 -9.935) 9.935 14.891 ( 0.000 0.000 4.642) 4.642 15.095 ( 0.000 0.000 2.231) 2.231 15.580 ( 0.000 0.000 17.318) 17.318 16.201 ( 0.000 0.000 -11.812) 11.812 16.782 ( 0.000 0.000 14.858) 14.858 16.879 ( 0.000 0.000 -9.165) 9.165 17.190 ( 0.000 0.000 -3.916) 3.916 17.458 ( 0.000 0.000 0.778) 0.778 17.986 ( 0.000 0.000 1.376) 1.376 17.997 ( 0.000 0.000 2.617) 2.617 19.979 ( 0.000 0.000 -0.584) 0.584 20.203 ( 0.000 0.000 -8.858) 8.858 21.177 ( 0.000 0.000 2.142) 2.142 21.482 ( 0.000 0.000 -3.455) 3.455 21.583 ( 0.000 0.000 13.629) 13.629 22.009 ( 0.000 0.000 -0.993) 0.993 22.449 ( 0.000 0.000 8.985) 8.985 23.457 ( 0.000 0.000 -7.664) 7.664======================= Grid point 163 (52/125) =======================q-point: ( 0.11 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.764 ( 11.970 -11.826 32.365) 36.478 1.852 ( 12.462 -9.996 36.176) 39.547 3.212 ( 18.518 -18.097 55.602) 61.335 3.988 ( 8.007 -4.521 13.685) 16.487 4.617 ( -0.721 3.318 -19.253) 19.550 4.669 ( -0.355 -0.301 18.458) 18.464 4.888 ( 4.126 -1.831 -9.081) 10.141 6.310 ( 2.925 4.237 5.167) 7.294 7.318 ( -13.698 20.515 0.129) 24.668 7.683 ( 5.340 6.866 6.417) 10.809 8.128 ( -2.837 -4.181 -1.642) 5.312 8.289 ( -11.110 14.167 0.526) 18.011 8.390 ( -15.686 6.724 -1.902) 17.172 8.547 ( -3.907 0.873 -1.245) 4.193 8.784 ( 1.472 -6.375 2.572) 7.030 9.002 ( 7.562 -12.381 -8.517) 16.823 9.236 ( 1.103 -9.871 11.101) 14.896 9.571 ( 13.604 11.071 -7.984) 19.271 9.844 ( 4.111 -9.462 -3.226) 10.809 10.316 ( -8.516 6.688 -4.734) 11.818 10.620 ( 7.671 -13.157 -4.348) 15.838 10.949 ( 2.885 5.780 -14.519) 15.892 11.668 ( -1.091 2.804 1.624) 3.419 11.719 ( -10.628 -7.319 12.800) 18.176 11.845 ( -4.869 1.373 6.225) 8.021 12.118 ( -0.941 -3.625 4.534) 5.881 12.707 ( -1.990 10.134 8.273) 13.232 12.968 ( -15.390 -0.014 0.442) 15.396 13.089 ( -4.090 22.318 -0.058) 22.690 13.453 ( 4.331 2.348 -5.240) 7.192 13.684 ( -2.505 4.237 -2.609) 5.571 13.777 ( -3.982 2.991 -0.271) 4.988 14.111 ( -9.062 -1.110 -7.347) 11.718 14.318 ( 10.411 -0.677 -8.496) 13.454 14.669 ( 4.626 -2.412 -9.196) 10.573 14.738 ( 3.826 -7.402 -9.891) 12.933 14.952 ( 4.855 -3.523 2.570) 6.526 15.196 ( 5.546 -11.194 -1.888) 12.634 15.773 ( 9.953 -10.687 8.809) 17.055 16.249 ( 4.338 -2.380 -9.218) 10.463 16.803 ( 2.918 -0.976 12.370) 12.747 16.926 ( 5.332 2.052 -6.875) 8.939 17.186 ( -1.231 -2.466 -4.423) 5.211 17.452 ( -0.742 0.453 1.344) 1.600 17.877 ( -2.383 7.349 6.319) 9.981 18.061 ( 1.252 -3.726 -1.344) 4.154 19.987 ( 3.002 1.926 -0.627) 3.622 20.183 ( 0.627 2.488 -6.736) 7.208 21.173 ( -1.396 -0.521 2.290) 2.732 21.306 ( -20.783 -1.801 6.596) 21.879 21.564 ( 2.145 3.377 13.365) 13.951 22.036 ( 1.741 -1.224 -0.250) 2.143 22.456 ( -1.276 -2.917 7.728) 8.358 23.550 ( 10.131 1.719 -12.685) 16.325======================= Grid point 164 (53/125) =======================q-point: ( 0.22 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.240 ( 18.774 -19.492 23.072) 35.563 2.339 ( 20.056 -20.514 25.757) 38.555 3.825 ( 23.693 -19.124 38.718) 49.256 4.132 ( 3.344 -0.540 -1.885) 3.876 4.591 ( -1.698 0.965 2.710) 3.340 4.734 ( 9.571 -4.242 4.672) 11.465 4.988 ( 8.225 -0.183 3.596) 8.979 6.244 ( 0.584 10.671 9.446) 14.263 6.832 ( -8.531 16.992 -6.161) 19.986 7.600 ( -7.683 12.749 9.101) 17.447 7.744 ( -9.201 13.537 -0.449) 16.374 8.038 ( -18.147 2.386 -5.588) 19.137 8.249 ( -4.103 -1.234 4.282) 6.058 8.551 ( 2.510 -5.829 -1.592) 6.543 8.912 ( 1.175 -3.012 -4.021) 5.159 9.229 ( 1.699 -1.975 8.649) 9.033 9.279 ( 0.525 -2.143 -8.863) 9.133 9.687 ( 9.859 -0.687 -1.951) 10.073 9.976 ( -0.245 0.317 0.033) 0.402 10.200 ( 1.247 -7.339 -2.251) 7.777 10.649 ( -14.321 3.436 -0.518) 14.736 11.081 ( 10.138 -8.890 0.495) 13.493 11.523 ( -8.069 11.181 -2.328) 13.984 11.677 ( -0.718 -0.553 6.033) 6.101 11.861 ( -5.781 -16.808 -5.171) 18.511 12.142 ( -3.438 -3.149 1.747) 4.979 12.575 ( -10.843 21.525 7.217) 25.159 12.617 ( 1.224 4.296 6.960) 8.270 12.853 ( -1.091 5.111 -4.058) 6.617 13.254 ( -5.595 17.976 -4.719) 19.409 13.547 ( -3.545 6.344 -3.684) 8.147 13.726 ( -0.122 0.978 -3.376) 3.517 14.026 ( -8.421 -2.535 -7.198) 11.365 14.486 ( 6.672 -3.954 -5.999) 9.805 14.730 ( 0.781 -2.765 -6.221) 6.852 14.823 ( 3.637 2.250 -5.197) 6.730 15.163 ( 9.212 -9.837 0.226) 13.478 15.543 ( 10.952 -14.207 -6.247) 18.995 16.042 ( 6.457 -7.458 1.111) 9.928 16.387 ( 6.482 -4.416 -3.913) 8.765 16.879 ( -0.418 5.049 3.038) 5.907 16.906 ( 4.313 -1.926 2.545) 5.366 17.267 ( 3.872 -2.443 -6.360) 7.837 17.433 ( -0.506 -1.568 2.589) 3.069 17.720 ( -4.094 6.396 8.266) 11.225 18.157 ( 4.866 -2.879 -3.975) 6.911 19.990 ( 3.201 4.096 -0.127) 5.200 20.181 ( 3.630 0.730 -3.695) 5.231 21.078 ( -17.726 -6.031 11.793) 22.128 21.148 ( -3.192 0.130 2.332) 3.955 21.544 ( 2.215 3.355 13.586) 14.168 22.079 ( 0.891 -1.533 1.991) 2.666 22.521 ( -0.183 -7.343 4.137) 8.431 23.611 ( 6.524 6.382 -14.279) 16.946======================= Grid point 165 (54/125) =======================q-point: ( 0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.821 ( 18.291 -20.411 18.169) 32.883 2.956 ( 17.785 -22.119 20.155) 34.811 4.137 ( 2.484 2.656 -2.857) 4.625 4.339 ( 9.774 -5.713 17.998) 21.263 4.515 ( 0.397 1.965 12.877) 13.032 4.953 ( 4.466 -9.323 14.248) 17.603 5.234 ( 25.089 -1.083 2.638) 25.251 5.934 ( -11.209 16.016 9.703) 21.824 6.672 ( 6.737 5.053 -11.584) 14.322 7.153 ( -12.512 13.500 -0.298) 18.409 7.488 ( -20.775 3.525 -0.006) 21.072 7.834 ( -7.120 2.458 -6.931) 10.236 8.184 ( -1.438 1.363 7.593) 7.847 8.711 ( -2.596 -1.727 -2.121) 3.771 8.813 ( 5.229 7.123 -0.915) 8.884 9.264 ( 4.623 -2.107 -1.593) 5.325 9.359 ( -9.101 -11.136 -5.836) 15.521 9.753 ( 9.095 7.563 20.296) 23.491 10.073 ( 4.941 -8.297 0.283) 9.661 10.349 ( -14.687 -2.172 2.998) 15.146 10.390 ( 0.758 -3.026 3.154) 4.436 11.157 ( -14.436 4.135 -7.747) 16.897 11.329 ( 1.289 -2.320 4.851) 5.529 11.704 ( 3.016 1.889 -2.446) 4.319 12.015 ( -5.723 11.246 5.700) 13.846 12.055 ( -0.211 -7.054 -10.041) 12.273 12.295 ( 1.550 -3.348 3.149) 4.851 12.576 ( -1.496 1.298 1.399) 2.425 12.780 ( 0.440 7.160 -5.748) 9.192 12.960 ( 0.560 10.952 -2.240) 11.192 13.335 ( -9.976 8.594 -5.682) 14.341 13.718 ( 1.048 1.313 -5.504) 5.755 13.940 ( -6.140 -0.410 -6.065) 8.640 14.612 ( 2.521 -3.743 -2.571) 5.194 14.789 ( 1.136 -2.844 -5.950) 6.692 14.837 ( 4.087 2.606 -5.049) 6.999 15.458 ( 9.553 -10.072 -0.985) 13.916 15.858 ( 8.786 -7.371 -6.187) 13.031 16.194 ( 3.579 -3.943 1.884) 5.648 16.529 ( 4.793 -3.001 0.038) 5.656 16.728 ( -7.220 4.454 -0.567) 8.502 17.020 ( 5.249 -0.383 8.335) 9.858 17.278 ( -1.328 -0.055 -2.756) 3.060 17.542 ( 4.519 -3.841 1.379) 6.089 17.586 ( -1.993 3.535 2.231) 4.631 18.269 ( 5.068 -1.764 -6.110) 8.133 19.960 ( 1.291 3.461 1.393) 3.948 20.261 ( 6.761 -0.483 -3.733) 7.738 20.959 ( -13.514 -6.876 8.849) 17.556 21.093 ( -1.980 1.697 4.672) 5.350 21.527 ( 1.552 2.409 14.288) 14.573 22.100 ( -0.841 -1.225 4.193) 4.448 22.666 ( 1.902 -9.211 0.449) 9.416 23.557 ( 2.254 8.110 -12.827) 15.342======================= Grid point 166 (55/125) =======================q-point: ( 0.44 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.317 ( 11.419 -12.910 15.883) 23.438 3.437 ( 8.074 -13.148 16.195) 22.368 4.074 ( -1.048 6.865 8.962) 11.338 4.238 ( -5.608 6.214 17.521) 19.417 4.619 ( 3.440 -3.403 15.405) 16.147 5.146 ( 3.750 -1.188 11.391) 12.051 5.504 ( 5.031 3.002 3.791) 6.978 5.711 ( 5.746 -0.970 -1.043) 5.920 6.740 ( 5.953 1.486 -12.567) 13.985 6.936 ( 1.128 2.462 -3.735) 4.614 7.118 ( -19.743 3.415 -5.892) 20.885 7.660 ( -8.737 2.072 -12.930) 15.742 8.196 ( 3.682 1.322 11.413) 12.065 8.542 ( -2.529 5.242 7.364) 9.386 8.943 ( 3.670 -2.922 -4.031) 6.185 9.319 ( -0.463 0.856 14.518) 14.551 9.433 ( -1.740 -10.565 -16.328) 19.525 9.795 ( 12.812 7.714 18.467) 23.763 10.001 ( -17.457 -1.049 12.713) 21.621 10.396 ( 12.104 2.473 0.053) 12.354 10.484 ( -3.718 -14.652 6.007) 16.266 10.847 ( -10.912 9.793 -8.117) 16.759 11.377 ( -1.139 -2.670 3.703) 4.706 11.602 ( -0.647 8.038 2.074) 8.327 11.919 ( 0.432 -1.823 0.471) 1.932 12.071 ( -0.759 1.410 0.526) 1.685 12.496 ( 2.215 -6.324 -8.726) 11.002 12.543 ( -0.109 -2.918 -8.988) 9.451 12.703 ( 7.404 6.393 -5.077) 11.021 12.914 ( -2.984 -3.326 -1.977) 4.886 13.038 ( -7.619 11.372 -5.257) 14.663 13.713 ( 0.382 0.620 -5.703) 5.749 13.879 ( -2.255 0.068 -6.022) 6.431 14.672 ( 0.337 -1.576 1.188) 2.002 14.833 ( 0.195 -1.296 -3.483) 3.721 14.857 ( 2.328 1.151 -9.117) 9.480 15.698 ( 4.917 -5.637 -2.429) 7.864 16.002 ( 3.230 -0.631 -7.094) 7.820 16.278 ( 2.110 -1.566 5.127) 5.761 16.575 ( -5.265 2.008 1.852) 5.931 16.609 ( 1.866 -0.967 2.436) 3.217 17.050 ( 0.920 0.955 7.191) 7.312 17.293 ( 0.525 -1.554 0.639) 1.761 17.487 ( -1.966 1.919 5.231) 5.909 17.673 ( 2.991 -1.710 -7.476) 8.231 18.339 ( 2.040 -0.542 -7.214) 7.516 19.935 ( 0.318 1.222 2.250) 2.581 20.354 ( 4.033 -0.235 -4.987) 6.418 20.889 ( -6.174 -2.785 6.239) 9.209 21.055 ( -0.420 0.817 7.170) 7.229 21.516 ( 0.534 0.860 14.772) 14.807 22.100 ( -0.678 -0.501 5.166) 5.234 22.812 ( 1.423 -5.063 -1.607) 5.500 23.466 ( 0.125 4.575 -11.500) 12.377======================= Grid point 172 (56/125) =======================q-point: ( 0.11 0.11 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.943 ( 23.898 -0.000 27.664) 36.557 1.987 ( 18.570 -0.000 33.160) 38.006 3.485 ( 35.075 -0.000 50.271) 61.298 4.097 ( 9.675 -0.000 4.909) 10.849 4.622 ( -1.192 0.000 -19.890) 19.926 4.694 ( 4.298 -0.000 7.792) 8.899 4.979 ( 11.309 -0.000 10.712) 15.577 6.404 ( 5.090 -0.000 6.099) 7.944 7.234 ( -18.951 0.000 -2.318) 19.092 7.745 ( -6.362 0.000 5.883) 8.666 7.847 ( -31.191 0.000 2.417) 31.284 8.231 ( 3.878 -0.000 -2.254) 4.486 8.370 ( -8.390 0.000 8.412) 11.880 8.419 ( -12.756 0.000 -13.671) 18.698 8.695 ( -3.462 0.000 -3.084) 4.637 9.085 ( 9.797 -0.000 -2.423) 10.092 9.235 ( 13.759 -0.000 12.308) 18.461 9.787 ( 9.072 -0.000 -5.434) 10.575 9.872 ( -0.787 0.000 -11.343) 11.370 10.438 ( 3.910 -0.000 -4.800) 6.191 10.457 ( -1.659 0.000 -1.914) 2.532 11.148 ( 13.792 -0.000 -18.406) 23.000 11.312 ( -24.720 0.000 18.623) 30.950 11.691 ( -1.373 0.000 10.415) 10.505 11.814 ( -6.791 0.000 -1.368) 6.927 12.074 ( -2.446 0.000 4.042) 4.724 12.716 ( -11.265 0.000 9.556) 14.772 12.719 ( -8.559 0.000 -1.498) 8.690 13.233 ( -8.819 0.000 -1.653) 8.973 13.315 ( -11.482 0.000 -0.549) 11.495 13.667 ( -3.467 0.000 1.427) 3.750 13.767 ( 3.362 -0.000 -8.159) 8.825 14.052 ( -5.537 0.000 -3.792) 6.711 14.477 ( 3.302 -0.000 -11.169) 11.647 14.587 ( 2.026 -0.000 -8.303) 8.547 14.966 ( 3.591 -0.000 0.705) 3.659 15.037 ( 27.548 -0.000 -11.809) 29.972 15.161 ( 6.334 -0.000 1.269) 6.459 15.880 ( 13.424 -0.000 7.158) 15.213 16.310 ( 6.561 -0.000 -6.965) 9.568 16.853 ( 5.663 -0.000 7.658) 9.524 17.089 ( -6.849 0.000 -4.295) 8.084 17.098 ( 12.369 -0.000 -4.846) 13.284 17.431 ( -3.124 0.000 2.855) 4.232 17.855 ( -8.816 0.000 5.292) 10.282 18.082 ( 6.629 -0.000 -0.966) 6.699 20.069 ( 6.057 -0.000 -0.888) 6.122 20.214 ( 0.774 -0.000 -7.632) 7.671 20.958 ( -21.251 0.000 14.903) 25.956 21.153 ( -1.251 0.000 1.803) 2.194 21.614 ( 1.281 -0.000 12.722) 12.786 22.064 ( 3.369 -0.000 -1.315) 3.616 22.403 ( -2.201 0.000 9.761) 10.006 23.719 ( 8.662 -0.000 -18.622) 20.538======================= Grid point 173 (57/125) =======================q-point: ( 0.22 0.11 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.358 ( 24.997 -8.276 23.747) 35.458 2.420 ( 26.839 -10.834 22.995) 36.966 4.072 ( 34.769 -5.945 34.187) 49.122 4.198 ( 5.491 0.203 -3.513) 6.521 4.606 ( 0.618 1.561 -11.313) 11.437 4.781 ( 4.940 -1.473 5.690) 7.678 5.231 ( 24.573 0.176 18.049) 30.490 6.399 ( -1.451 9.482 12.496) 15.754 6.891 ( -10.032 9.345 -10.198) 17.087 7.396 ( -35.462 -4.583 1.563) 35.791 7.492 ( -24.928 2.297 7.377) 26.098 8.048 ( -8.401 13.054 -10.793) 18.907 8.298 ( 7.326 3.733 5.219) 9.739 8.463 ( 1.175 -9.808 -1.104) 9.939 8.726 ( -6.144 -10.161 -1.195) 11.934 9.217 ( 4.235 -1.705 0.696) 4.619 9.401 ( 9.145 6.653 3.871) 11.953 9.733 ( -6.213 -0.778 -0.101) 6.262 10.018 ( 8.654 -7.427 -5.908) 12.843 10.259 ( 0.649 9.303 1.123) 9.393 10.532 ( -8.392 5.167 -3.398) 10.424 10.949 ( -12.962 -6.681 11.818) 18.770 11.533 ( 5.926 -8.200 -5.044) 11.305 11.582 ( -5.415 2.377 -3.130) 6.691 11.732 ( 2.782 -1.673 -0.400) 3.271 12.039 ( -5.608 -3.171 1.159) 6.546 12.539 ( -12.343 4.164 4.005) 13.628 12.652 ( -3.110 -1.071 2.009) 3.854 12.936 ( -7.442 11.306 -0.768) 13.557 13.205 ( -13.284 -2.027 -2.132) 13.606 13.578 ( -4.392 7.598 -2.982) 9.269 13.775 ( -0.098 1.914 -6.835) 7.098 13.956 ( -0.602 2.034 -3.834) 4.382 14.521 ( -1.133 -5.241 -10.552) 11.836 14.654 ( 1.895 -1.995 -2.979) 4.055 15.004 ( 4.959 3.754 -2.781) 6.813 15.242 ( 17.106 0.930 -0.806) 17.151 15.562 ( 19.799 -10.816 -8.176) 23.996 16.074 ( 8.885 -3.198 4.952) 10.663 16.429 ( 6.782 -2.446 -3.307) 7.932 16.914 ( -7.695 6.102 -4.283) 10.714 16.967 ( 7.403 -1.822 5.822) 9.593 17.296 ( 4.208 -0.989 -4.088) 5.950 17.385 ( -0.373 -3.491 3.149) 4.716 17.698 ( -8.548 2.632 6.613) 11.123 18.202 ( 6.726 -1.929 -3.636) 7.885 20.112 ( 3.244 5.309 -0.624) 6.253 20.246 ( 4.723 -1.175 -4.943) 6.937 20.764 ( -10.995 -4.662 14.471) 18.763 21.128 ( -1.651 0.569 1.728) 2.457 21.610 ( 0.673 2.090 12.868) 13.054 22.111 ( 3.799 1.397 0.342) 4.062 22.426 ( 0.831 -5.265 7.475) 9.181 23.763 ( 2.280 4.257 -17.821) 18.463======================= Grid point 174 (58/125) =======================q-point: ( 0.33 0.11 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.879 ( 23.630 -13.015 17.860) 32.353 2.984 ( 24.732 -12.581 20.021) 34.217 4.234 ( 5.503 2.065 -2.052) 6.226 4.471 ( 6.082 5.097 2.186) 8.230 4.612 ( 7.620 4.094 12.951) 15.574 4.939 ( 13.042 -8.358 14.861) 21.466 5.630 ( 29.247 1.657 10.794) 31.220 5.990 ( -18.200 18.789 13.073) 29.244 6.816 ( 3.548 2.720 -12.098) 12.898 7.005 ( -21.176 -2.579 -1.311) 21.372 7.078 ( -29.871 -3.123 -1.469) 30.069 7.769 ( -10.178 7.353 -10.476) 16.352 8.374 ( 12.805 6.515 10.147) 17.589 8.575 ( -8.392 -7.321 5.080) 12.240 8.816 ( 1.991 -6.796 -2.981) 7.683 9.166 ( -6.718 1.836 -3.929) 7.996 9.379 ( 5.009 3.617 4.883) 7.875 9.820 ( -1.183 -11.478 12.331) 16.888 10.044 ( -5.245 5.880 7.700) 11.017 10.165 ( -5.821 2.679 5.202) 8.254 10.445 ( 9.162 -4.117 -2.268) 10.297 10.944 ( -11.950 -7.163 -3.974) 14.488 11.293 ( -5.460 6.792 -2.321) 9.018 11.763 ( 3.979 -1.873 1.544) 4.662 11.978 ( -0.418 -10.927 -4.286) 11.744 12.005 ( 3.984 -3.508 -10.859) 12.087 12.249 ( -11.628 7.208 5.119) 14.607 12.547 ( -5.616 3.704 7.236) 9.881 12.828 ( 0.194 -0.443 -6.119) 6.138 12.997 ( -12.193 3.961 -6.113) 14.203 13.338 ( -6.279 11.352 -6.613) 14.561 13.743 ( -1.983 0.744 -9.409) 9.644 13.971 ( 5.241 1.934 0.329) 5.597 14.571 ( -1.743 -3.873 -5.389) 6.861 14.713 ( -0.856 -4.954 -2.270) 5.516 15.007 ( 6.530 6.425 -5.831) 10.859 15.511 ( 15.100 -3.979 -1.178) 15.660 15.920 ( 12.266 -5.016 -7.327) 15.143 16.226 ( 7.300 -1.666 5.949) 9.564 16.549 ( 3.789 -2.439 -0.905) 4.596 16.698 ( -8.390 5.559 0.426) 10.073 17.088 ( 4.480 0.109 6.680) 8.044 17.243 ( -2.882 -0.294 -0.745) 2.991 17.540 ( 3.331 -6.194 -5.453) 8.899 17.558 ( -5.227 2.159 6.593) 8.686 18.306 ( 3.618 -1.427 -5.790) 6.975 20.042 ( 0.130 5.469 1.838) 5.771 20.343 ( 3.952 -1.299 -4.430) 6.077 20.761 ( 0.527 -4.158 9.513) 10.395 21.093 ( -1.418 0.866 2.772) 3.232 21.578 ( 0.081 2.612 14.006) 14.248 22.131 ( 3.861 2.551 3.578) 5.850 22.577 ( 4.470 -8.354 2.411) 9.776 23.673 ( -2.373 6.859 -14.747) 16.436======================= Grid point 175 (59/125) =======================q-point: ( 0.44 0.11 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.379 ( 18.951 -10.345 13.768) 25.607 3.444 ( 16.184 -6.581 18.609) 25.525 4.213 ( 0.578 11.668 11.510) 16.399 4.309 ( -2.528 9.843 8.534) 13.271 4.657 ( 5.037 0.208 11.016) 12.115 5.219 ( 7.092 0.512 11.184) 13.253 5.510 ( -14.173 6.965 4.844) 16.518 5.826 ( 1.133 6.815 2.126) 7.229 6.726 ( -14.393 -1.343 -14.042) 20.153 6.812 ( -4.965 -8.457 1.484) 9.918 7.041 ( 8.884 -0.687 -8.846) 12.556 7.576 ( -3.677 0.196 -12.000) 12.552 8.343 ( -2.494 8.780 7.458) 11.787 8.519 ( -0.757 1.995 17.024) 17.157 8.936 ( 2.140 -3.256 -4.473) 5.932 9.169 ( -3.196 -9.767 8.138) 13.109 9.426 ( 6.383 -0.838 -1.313) 6.570 9.723 ( -17.413 -0.210 7.751) 19.061 10.081 ( 9.824 -3.038 17.036) 19.899 10.203 ( -1.526 -10.769 10.107) 14.847 10.613 ( 9.573 2.641 -1.357) 10.022 10.786 ( -9.584 1.353 -11.928) 15.361 11.248 ( -2.799 -4.739 -1.125) 5.617 11.712 ( -4.805 9.931 -0.117) 11.033 11.921 ( 2.295 -1.073 6.882) 7.333 12.107 ( -2.557 -0.223 -6.700) 7.175 12.298 ( -0.855 -14.232 -6.960) 15.866 12.460 ( -3.962 -2.697 1.278) 4.960 12.753 ( -11.008 4.565 -5.911) 13.303 12.872 ( 3.752 0.433 -8.423) 9.231 13.100 ( -4.303 8.516 -7.972) 12.433 13.699 ( -3.819 -0.798 -12.376) 12.977 14.021 ( 9.795 5.897 1.760) 11.568 14.600 ( -2.515 -4.156 -1.523) 5.091 14.765 ( -2.425 -4.651 -1.120) 5.364 14.994 ( 6.161 7.423 -7.577) 12.267 15.741 ( 9.041 -1.697 -3.240) 9.753 16.048 ( 1.492 1.610 -6.824) 7.168 16.305 ( 1.968 0.779 5.966) 6.331 16.567 ( 0.803 0.804 3.119) 3.319 16.605 ( -0.411 -0.528 3.117) 3.188 17.066 ( -1.637 1.906 6.744) 7.197 17.286 ( 2.483 -2.044 0.013) 3.216 17.471 ( -3.263 0.495 1.247) 3.528 17.634 ( -1.315 -3.568 -4.547) 5.927 18.340 ( -0.688 -0.305 -6.757) 6.799 19.970 ( -0.544 3.340 2.543) 4.233 20.364 ( -2.570 -0.154 -3.872) 4.650 20.886 ( 9.870 -1.445 5.304) 11.298 21.077 ( 1.739 0.991 5.103) 5.481 21.537 ( -0.741 2.027 14.905) 15.061 22.154 ( 4.987 2.892 4.643) 7.402 22.770 ( 5.104 -6.743 -0.667) 8.483 23.510 ( -5.369 6.286 -12.069) 14.629======================= Grid point 176 (60/125) =======================q-point: (-0.44 0.11 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.465 ( -1.812 18.319 15.664) 24.171 3.577 ( -0.694 12.764 13.274) 18.428 4.031 ( -0.165 0.159 8.784) 8.787 4.294 ( 9.700 -1.401 21.865) 23.961 4.657 ( -1.386 5.987 14.006) 15.295 5.130 ( -6.365 3.467 0.062) 7.249 5.338 ( -13.429 2.433 4.604) 14.403 5.675 ( -1.437 -0.102 -0.222) 1.457 6.536 ( -15.461 -4.747 -12.710) 20.570 6.914 ( 2.647 -0.542 -0.603) 2.768 7.267 ( 14.226 -7.520 -6.971) 17.536 7.729 ( 10.258 -8.613 -8.770) 16.010 8.193 ( -2.113 1.324 5.718) 6.238 8.475 ( -0.379 2.018 15.608) 15.742 8.928 ( -4.824 2.962 -1.605) 5.884 9.258 ( -0.446 -4.404 12.069) 12.855 9.524 ( -10.381 -5.466 17.104) 20.741 9.622 ( 10.162 -1.708 -14.368) 17.681 10.198 ( -6.251 2.482 6.957) 9.676 10.298 ( 12.290 -1.543 12.540) 17.626 10.681 ( -1.760 2.472 -6.059) 6.777 10.808 ( 11.215 -10.644 3.396) 15.831 11.295 ( -3.810 -7.721 -3.424) 9.266 11.537 ( -4.246 2.955 1.315) 5.337 11.960 ( 0.247 1.776 -3.199) 3.667 12.106 ( 3.727 -0.380 0.910) 3.855 12.417 ( -4.702 -10.880 0.696) 11.873 12.504 ( -5.356 0.102 -9.295) 10.728 12.524 ( -7.178 -1.164 -5.266) 8.978 12.880 ( -2.077 4.360 -7.504) 8.924 13.058 ( 4.893 -5.264 -6.639) 9.784 13.668 ( -3.383 -2.240 -12.463) 13.107 14.076 ( 11.469 6.680 -0.244) 13.274 14.617 ( -2.920 -2.734 -0.165) 4.003 14.786 ( -2.794 -3.390 -0.001) 4.393 14.954 ( 5.697 8.956 -8.155) 13.385 15.739 ( -5.100 7.467 -2.984) 9.522 15.982 ( -2.233 2.129 -6.581) 7.268 16.297 ( 0.424 2.409 4.979) 5.548 16.575 ( -3.764 0.251 1.006) 3.904 16.654 ( 8.280 -1.320 3.879) 9.239 17.017 ( -2.999 0.687 6.527) 7.216 17.310 ( -0.161 1.132 -0.339) 1.193 17.468 ( 0.089 -2.952 1.137) 3.165 17.614 ( -4.844 -0.093 -3.059) 5.730 18.301 ( -4.005 0.660 -6.618) 7.763 19.926 ( -0.871 1.122 2.007) 2.459 20.292 ( -5.470 1.262 -3.360) 6.543 21.032 ( 5.458 -1.519 5.979) 8.237 21.140 ( 13.484 4.093 5.305) 15.057 21.498 ( -1.717 0.640 14.403) 14.519 22.178 ( 4.709 3.512 4.621) 7.475 22.879 ( 2.908 1.799 -1.731) 3.833 23.375 ( -6.006 -1.045 -10.487) 12.130======================= Grid point 177 (61/125) =======================q-point: (-0.33 0.11 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.997 ( -9.246 28.010 17.081) 34.085 3.097 ( -15.516 26.970 16.671) 35.299 4.099 ( 2.647 -1.847 -1.010) 3.382 4.398 ( -4.442 14.631 19.537) 24.809 4.531 ( 6.724 -2.332 19.659) 20.908 4.937 ( -19.542 1.797 -4.584) 20.153 5.071 ( -1.332 10.163 7.587) 12.752 5.841 ( 6.457 -12.010 6.050) 14.918 6.448 ( -10.059 -9.081 -7.301) 15.393 7.076 ( 8.081 -12.769 -2.022) 15.246 7.465 ( -3.716 -6.480 -1.139) 7.556 7.990 ( 14.552 -4.153 -4.378) 15.753 8.317 ( 10.650 -2.964 4.823) 12.060 8.480 ( -6.275 -9.933 7.830) 14.119 8.776 ( -2.976 5.301 -0.658) 6.115 9.230 ( -5.132 4.038 7.651) 10.059 9.516 ( -7.101 -8.745 17.084) 20.463 9.748 ( 13.986 11.228 -16.841) 24.603 10.043 ( -4.804 0.310 0.559) 4.846 10.501 ( 4.389 4.439 8.436) 10.494 10.605 ( 12.189 5.423 2.215) 13.523 11.140 ( -2.971 -14.312 0.732) 14.636 11.310 ( -1.478 2.271 -8.330) 8.760 11.584 ( 1.744 -16.284 0.082) 16.378 11.920 ( 0.057 -0.504 0.191) 0.542 12.193 ( 7.715 1.979 -0.073) 7.966 12.316 ( -4.002 4.861 -1.185) 6.407 12.544 ( -1.622 -4.122 -7.176) 8.433 12.612 ( 1.018 -14.538 1.084) 14.614 12.769 ( -6.835 -1.079 -1.734) 7.134 13.236 ( -1.994 -11.376 -7.543) 13.794 13.685 ( 1.232 -2.686 -9.120) 9.587 14.143 ( 9.816 4.938 -3.118) 11.422 14.603 ( -1.190 0.044 0.164) 1.202 14.791 ( -1.232 -0.359 -2.470) 2.783 14.892 ( 5.729 9.260 -5.999) 12.432 15.464 ( -11.936 9.415 -2.242) 15.367 15.882 ( -4.062 7.279 -7.496) 11.210 16.237 ( -0.645 5.203 -0.012) 5.243 16.496 ( -5.134 1.876 -0.877) 5.536 16.786 ( 6.429 -0.763 2.043) 6.788 16.952 ( -4.747 0.378 7.715) 9.067 17.280 ( -1.615 0.448 -4.165) 4.490 17.497 ( -4.853 -0.773 -2.740) 5.627 17.564 ( 1.772 -1.511 8.644) 8.952 18.219 ( -4.825 1.376 -5.671) 7.572 19.908 ( -1.447 -0.762 1.145) 1.997 20.194 ( -4.570 1.416 -2.892) 5.590 21.113 ( 4.299 -1.139 8.960) 10.003 21.282 ( 14.423 5.927 6.829) 17.023 21.479 ( 0.043 -0.524 10.075) 10.089 22.170 ( 2.074 4.117 3.968) 6.083 22.796 ( -0.045 9.532 -0.986) 9.583 23.379 ( -4.953 -7.930 -9.761) 13.517======================= Grid point 178 (62/125) =======================q-point: (-0.22 0.11 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.428 ( -7.790 29.543 20.292) 36.677 2.448 ( -14.045 26.655 22.807) 37.788 3.977 ( -6.260 26.142 33.214) 42.729 4.147 ( 2.617 3.072 0.404) 4.056 4.577 ( -13.348 3.872 -5.490) 14.943 4.669 ( 4.263 -0.709 22.606) 23.015 4.983 ( -0.530 4.687 -8.662) 9.863 6.081 ( 0.533 -10.194 8.258) 13.130 6.604 ( 0.847 -21.444 -1.497) 21.513 7.411 ( -2.963 -10.867 5.556) 12.560 7.553 ( 5.456 -20.152 -6.309) 21.810 8.221 ( 5.461 -1.975 -4.368) 7.266 8.443 ( 13.714 5.249 11.166) 18.447 8.526 ( -4.686 -5.305 5.121) 8.736 8.799 ( -1.385 -7.468 -6.313) 9.877 9.082 ( -4.962 0.066 12.346) 13.306 9.415 ( -11.176 3.430 5.689) 13.001 9.723 ( 7.329 15.082 -19.182) 25.478 10.089 ( 8.666 0.350 -0.302) 8.678 10.338 ( -0.337 11.431 -1.785) 11.575 10.791 ( 10.051 -1.201 3.224) 10.623 10.981 ( -16.582 4.806 -1.907) 17.370 11.408 ( -0.339 -9.700 -6.860) 11.885 11.770 ( 6.992 2.972 3.309) 8.287 12.131 ( 3.867 -2.986 -2.049) 5.298 12.252 ( 6.231 -11.241 4.006) 13.463 12.280 ( 3.115 -2.293 3.631) 5.305 12.517 ( -5.867 -0.579 2.514) 6.410 12.795 ( 4.126 -10.190 -3.076) 11.416 12.948 ( -0.163 -22.858 -0.966) 22.879 13.309 ( -10.797 -11.977 -6.684) 17.455 13.769 ( 4.200 -1.312 -2.880) 5.259 14.186 ( 4.100 3.115 -5.059) 7.218 14.602 ( 5.590 4.469 -2.027) 7.438 14.725 ( 0.531 8.223 -7.225) 10.959 14.875 ( 3.764 2.068 -0.867) 4.382 15.160 ( -10.803 8.366 -3.813) 14.186 15.636 ( -6.581 13.994 -10.235) 18.544 16.116 ( -1.739 8.973 -1.592) 9.277 16.375 ( -4.596 4.357 -3.967) 7.473 16.825 ( -1.899 0.403 11.562) 11.724 16.897 ( -0.220 0.904 -2.990) 3.131 17.249 ( -1.934 0.567 -5.020) 5.410 17.447 ( -0.593 0.353 0.666) 0.959 17.652 ( 1.081 -5.966 11.018) 12.576 18.139 ( -2.626 1.664 -4.353) 5.349 19.907 ( -1.690 -2.110 0.402) 2.733 20.135 ( -1.873 0.014 -2.910) 3.461 21.192 ( 4.754 0.233 6.300) 7.896 21.345 ( 2.684 0.061 17.793) 17.994 21.527 ( 7.370 2.755 0.486) 7.883 22.115 ( -0.689 3.937 2.684) 4.815 22.646 ( -0.162 9.049 1.504) 9.175 23.423 ( -4.899 -6.527 -9.247) 12.333======================= Grid point 179 (63/125) =======================q-point: (-0.11 0.11 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.955 ( 0.000 22.337 30.018) 37.417 1.972 ( 0.000 21.018 29.659) 36.351 3.481 ( 0.000 30.005 48.571) 57.091 4.034 ( 0.000 8.764 13.560) 16.146 4.541 ( -0.000 -6.129 -19.291) 20.241 4.694 ( 0.000 1.215 26.941) 26.968 4.903 ( 0.000 3.968 -18.120) 18.550 6.202 ( -0.000 -7.075 5.859) 9.186 7.024 ( -0.000 -28.105 1.422) 28.141 7.501 ( -0.000 -8.998 5.751) 10.679 8.010 ( -0.000 -27.137 -5.927) 27.777 8.209 ( 0.000 4.407 -3.015) 5.339 8.518 ( 0.000 0.565 6.024) 6.051 8.555 ( 0.000 0.784 6.359) 6.407 8.799 ( 0.000 0.147 8.958) 8.960 9.207 ( -0.000 -15.833 -3.526) 16.220 9.210 ( 0.000 12.102 -1.445) 12.188 9.465 ( 0.000 19.951 -12.848) 23.730 10.019 ( 0.000 13.569 2.359) 13.773 10.354 ( -0.000 -4.857 -10.072) 11.182 10.689 ( 0.000 12.601 -2.441) 12.835 10.890 ( -0.000 -2.654 -5.435) 6.048 11.544 ( -0.000 -9.208 -3.662) 9.910 11.813 ( -0.000 -1.396 10.956) 11.044 12.025 ( 0.000 12.239 5.266) 13.324 12.222 ( 0.000 8.185 0.871) 8.231 12.538 ( -0.000 -9.513 9.872) 13.710 12.721 ( -0.000 -27.919 3.155) 28.097 13.124 ( -0.000 -13.001 -6.894) 14.716 13.134 ( -0.000 -11.344 -4.404) 12.169 13.467 ( -0.000 -21.353 -3.047) 21.570 13.802 ( 0.000 1.216 1.573) 1.989 14.171 ( 0.000 1.602 -6.971) 7.153 14.502 ( 0.000 18.075 -8.934) 20.162 14.642 ( 0.000 0.949 -5.716) 5.794 14.912 ( -0.000 -0.190 2.946) 2.952 14.915 ( 0.000 10.869 -7.727) 13.335 15.344 ( 0.000 15.083 -8.236) 17.185 15.916 ( 0.000 14.313 3.399) 14.711 16.267 ( 0.000 4.383 -7.818) 8.963 16.790 ( 0.000 0.704 14.910) 14.927 16.888 ( 0.000 0.418 -7.639) 7.651 17.218 ( 0.000 1.497 -4.273) 4.528 17.450 ( -0.000 -0.420 0.706) 0.821 17.768 ( -0.000 -8.062 10.180) 12.986 18.096 ( 0.000 1.935 -3.140) 3.688 19.930 ( -0.000 -2.684 -0.171) 2.689 20.139 ( -0.000 -2.069 -4.254) 4.731 21.206 ( 0.000 1.818 2.460) 3.059 21.424 ( -0.000 -6.686 22.328) 23.308 21.541 ( 0.000 3.690 -3.720) 5.240 22.053 ( 0.000 2.837 1.205) 3.083 22.529 ( 0.000 6.100 4.752) 7.732 23.447 ( -0.000 -2.542 -8.553) 8.922======================= Grid point 182 (64/125) =======================q-point: ( 0.22 0.22 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.660 ( 26.264 -0.000 19.953) 32.984 2.779 ( 31.909 -0.000 19.425) 37.357 4.265 ( 4.916 -0.000 -4.904) 6.943 4.525 ( 22.238 -0.000 9.270) 24.093 4.678 ( 15.614 -0.000 2.005) 15.742 4.838 ( 3.539 -0.000 9.328) 9.977 5.664 ( 34.348 -0.000 18.758) 39.136 6.424 ( -10.952 0.000 12.754) 16.811 6.756 ( -41.050 0.000 -0.537) 41.053 6.871 ( -3.604 0.000 -14.934) 15.363 7.104 ( -27.476 0.000 8.429) 28.739 8.038 ( -12.309 0.000 -10.128) 15.940 8.260 ( -7.724 0.000 10.246) 12.831 8.481 ( 10.723 -0.000 -4.426) 11.601 8.665 ( 7.955 -0.000 8.337) 11.523 9.254 ( 1.237 -0.000 7.154) 7.260 9.446 ( -18.843 0.000 -1.664) 18.916 9.742 ( 15.551 -0.000 8.443) 17.696 10.068 ( 6.845 -0.000 -13.971) 15.558 10.238 ( -9.892 0.000 -4.278) 10.777 10.442 ( -23.903 0.000 14.198) 27.801 10.702 ( 0.544 -0.000 6.569) 6.592 11.549 ( -2.799 0.000 -0.046) 2.800 11.644 ( -4.067 0.000 -4.085) 5.764 11.705 ( 10.859 -0.000 -12.088) 16.249 11.919 ( -2.106 0.000 -0.072) 2.107 12.507 ( -5.667 0.000 1.466) 5.853 12.507 ( -6.059 0.000 -4.274) 7.415 12.941 ( -13.401 0.000 4.035) 13.996 12.960 ( -7.695 0.000 2.128) 7.984 13.605 ( -2.428 0.000 -7.623) 8.000 13.749 ( -4.228 0.000 -12.739) 13.422 13.960 ( -1.890 0.000 0.366) 1.925 14.449 ( 0.686 -0.000 -10.304) 10.327 14.653 ( -0.970 0.000 2.663) 2.834 15.101 ( 6.787 -0.000 -1.773) 7.015 15.530 ( 17.407 -0.000 -1.109) 17.442 15.782 ( 19.333 -0.000 -12.398) 22.967 16.194 ( 11.213 -0.000 9.255) 14.539 16.502 ( 5.439 -0.000 -2.404) 5.946 16.817 ( -11.670 0.000 -2.135) 11.864 17.065 ( 7.987 -0.000 0.707) 8.019 17.272 ( -6.909 0.000 6.253) 9.319 17.400 ( 5.280 -0.000 -5.432) 7.575 17.595 ( -6.604 0.000 6.728) 9.428 18.278 ( 5.207 -0.000 -4.584) 6.937 20.215 ( -0.213 0.000 3.594) 3.601 20.243 ( 0.977 -0.000 -4.968) 5.064 20.694 ( 6.405 -0.000 9.105) 11.132 21.103 ( -2.538 0.000 1.287) 2.845 21.627 ( -0.241 0.000 12.976) 12.978 22.207 ( 6.337 -0.000 -2.129) 6.685 22.409 ( 3.771 -0.000 9.666) 10.376 23.791 ( -2.836 0.000 -17.242) 17.473======================= Grid point 183 (65/125) =======================q-point: ( 0.33 0.22 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.082 ( 24.920 -6.063 14.913) 29.668 3.262 ( 29.430 -3.849 18.422) 34.932 4.348 ( 7.538 0.690 -0.515) 7.587 4.603 ( 2.656 3.587 -10.921) 11.798 4.802 ( 2.333 7.971 12.972) 15.403 5.103 ( 22.379 -3.998 15.389) 27.453 5.906 ( -22.464 15.049 3.228) 27.231 6.137 ( 14.263 9.951 12.115) 21.195 6.417 ( -21.855 -17.051 -5.650) 28.289 6.618 ( -22.054 -3.193 8.007) 23.679 7.033 ( 11.654 1.188 -8.491) 14.468 7.771 ( -8.636 9.532 -4.086) 13.496 8.266 ( -10.776 -12.261 12.976) 20.852 8.624 ( 11.304 1.465 1.536) 11.502 8.828 ( 9.849 -1.110 4.904) 11.058 9.092 ( -12.960 4.766 3.464) 14.236 9.355 ( -4.758 -9.918 14.046) 17.840 9.772 ( -2.684 9.776 -1.750) 10.288 9.959 ( -10.359 8.862 5.742) 14.793 10.134 ( -7.686 -6.927 4.243) 11.183 10.404 ( 6.446 -13.797 -3.318) 15.586 10.749 ( -1.481 -0.718 2.795) 3.244 11.345 ( -9.616 4.551 -8.787) 13.798 11.621 ( -8.877 -7.290 -3.016) 11.876 11.844 ( 1.950 -3.728 5.972) 7.305 12.087 ( 14.646 -2.858 -16.091) 21.946 12.262 ( -5.356 10.971 -2.491) 12.460 12.514 ( -6.063 0.268 2.667) 6.630 12.748 ( -8.632 -2.759 -1.123) 9.131 12.876 ( -5.735 1.102 0.409) 5.854 13.458 ( -3.744 11.521 -13.210) 17.923 13.674 ( -6.461 -0.650 -14.293) 15.700 14.007 ( 1.755 -6.184 3.226) 7.192 14.484 ( -0.977 -2.722 -6.819) 7.407 14.660 ( 1.327 -1.382 5.089) 5.438 15.184 ( 7.834 3.392 -4.859) 9.822 15.747 ( 16.130 2.857 -2.572) 16.581 16.009 ( 7.889 -3.255 -7.929) 11.649 16.361 ( 10.311 1.947 9.607) 14.227 16.552 ( -1.076 -0.867 -2.320) 2.700 16.639 ( -7.146 1.428 4.465) 8.547 17.143 ( -0.977 2.530 6.019) 6.601 17.208 ( 2.477 -2.336 -1.314) 3.650 17.430 ( -4.480 -2.999 -5.608) 7.779 17.562 ( 1.384 -0.285 3.530) 3.803 18.332 ( 1.630 -0.163 -5.876) 6.100 20.114 ( -2.282 5.476 3.816) 7.054 20.301 ( -1.842 -4.026 -1.655) 4.727 20.873 ( 16.064 0.511 2.807) 16.316 21.074 ( -0.864 -0.757 2.470) 2.724 21.605 ( -1.131 1.641 14.068) 14.209 22.264 ( 6.423 3.754 0.644) 7.468 22.545 ( 7.025 -6.167 4.974) 10.589 23.693 ( -6.308 3.910 -14.541) 16.326======================= Grid point 184 (66/125) =======================q-point: ( 0.44 0.22 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.518 ( 20.301 -7.406 11.431) 24.447 3.682 ( 21.988 -0.884 17.631) 28.198 4.418 ( 6.439 6.197 13.171) 15.917 4.448 ( -4.969 16.598 2.686) 17.532 4.741 ( 3.500 1.740 3.493) 5.242 5.308 ( -14.434 0.298 1.569) 14.522 5.377 ( -3.451 9.401 5.045) 11.214 5.824 ( -18.676 6.204 -1.353) 19.726 6.343 ( -19.212 -6.811 -6.121) 21.283 6.822 ( 19.614 -6.995 6.781) 21.901 7.217 ( 13.907 1.907 -7.855) 16.086 7.573 ( -1.516 3.415 -1.485) 4.021 8.251 ( -8.412 -3.400 12.105) 15.128 8.667 ( 1.266 6.646 10.195) 12.236 8.927 ( 2.604 -0.394 1.993) 3.303 9.013 ( 0.578 -7.966 14.243) 16.330 9.447 ( -7.175 -2.966 9.483) 12.256 9.539 ( -4.306 -0.298 -1.322) 4.514 9.881 ( -0.617 -9.600 9.446) 13.482 10.200 ( 0.634 -7.990 4.651) 9.267 10.604 ( -13.298 3.328 -5.868) 14.911 10.713 ( 9.555 -8.823 1.150) 13.056 11.246 ( -0.600 1.799 -9.016) 9.213 11.592 ( -14.020 -10.112 -5.561) 18.159 11.936 ( 1.843 -0.855 7.416) 7.690 11.974 ( -3.665 5.392 2.502) 6.983 12.347 ( 10.262 0.092 -18.938) 21.539 12.389 ( -4.708 2.786 8.623) 10.212 12.657 ( -8.388 0.966 -8.966) 12.316 12.865 ( 1.333 -3.857 -3.991) 5.708 13.223 ( -2.532 12.317 -15.520) 19.975 13.599 ( -6.263 -1.887 -14.392) 15.809 14.130 ( 1.366 -5.255 2.470) 5.965 14.510 ( -1.386 -4.165 -2.272) 4.943 14.714 ( 4.134 0.348 4.671) 6.248 15.219 ( 8.256 7.036 -6.641) 12.719 15.879 ( 6.696 3.218 -4.545) 8.710 16.073 ( -2.336 2.320 -5.643) 6.533 16.340 ( -0.174 1.873 7.665) 7.892 16.568 ( -1.517 -0.509 2.908) 3.319 16.621 ( 3.811 -1.317 7.956) 8.919 17.072 ( -1.750 2.483 5.756) 6.508 17.299 ( 3.100 -1.821 -1.034) 3.741 17.408 ( -2.664 -1.585 -7.629) 8.235 17.583 ( -0.484 -0.789 0.822) 1.238 18.325 ( -1.692 0.903 -6.523) 6.799 20.011 ( -1.804 4.068 3.183) 5.471 20.299 ( -4.119 -1.408 -1.894) 4.747 21.018 ( 5.196 0.895 5.568) 7.668 21.197 ( 16.762 -0.306 0.603) 16.776 21.549 ( -2.454 2.108 14.311) 14.673 22.294 ( 5.798 3.877 2.384) 7.371 22.751 ( 6.789 -6.878 1.086) 9.726 23.507 ( -8.199 6.259 -11.532) 15.472======================= Grid point 185 (67/125) =======================q-point: (-0.44 0.22 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.766 ( 5.640 13.441 12.491) 19.197 3.794 ( 3.446 14.586 12.035) 19.221 4.076 ( -2.545 8.893 6.882) 11.529 4.434 ( 8.580 0.911 21.912) 23.549 4.750 ( 1.255 5.815 6.148) 8.555 4.958 ( -19.107 0.426 -4.083) 19.543 5.316 ( -0.810 5.881 1.807) 6.205 5.649 ( -0.980 -1.897 -1.117) 2.410 6.202 ( -15.597 -7.584 -9.223) 19.644 6.997 ( 3.865 3.566 4.370) 6.837 7.338 ( 5.565 -0.133 -7.706) 9.506 7.688 ( 5.814 -8.257 -1.112) 10.160 8.192 ( 2.077 0.787 7.956) 8.260 8.603 ( 4.176 4.849 19.140) 20.181 8.897 ( -4.021 2.776 8.023) 9.394 9.191 ( 1.481 -9.522 12.350) 15.664 9.324 ( -5.989 -1.215 3.114) 6.859 9.643 ( 2.947 -7.648 -0.586) 8.217 10.133 ( 3.485 -7.800 5.582) 10.205 10.311 ( -2.815 -8.696 12.609) 15.573 10.501 ( -1.801 -14.555 -12.570) 19.316 10.903 ( 7.076 -0.021 4.380) 8.322 11.183 ( -3.227 2.183 -5.418) 6.674 11.480 ( -11.848 0.052 -5.505) 13.065 11.913 ( 0.141 -5.792 -2.174) 6.188 12.071 ( 2.497 -6.436 4.202) 8.082 12.323 ( -1.910 -1.311 10.858) 11.103 12.400 ( -2.690 -1.300 -10.134) 10.565 12.533 ( 1.581 8.733 -14.236) 16.776 12.942 ( -0.102 -0.381 -11.485) 11.491 13.038 ( -1.803 5.140 -12.534) 13.666 13.573 ( -2.580 -3.942 -13.158) 13.976 14.185 ( -2.361 -3.335 1.257) 4.275 14.581 ( 1.186 -4.740 -1.599) 5.141 14.761 ( 7.080 3.584 5.346) 9.568 15.213 ( 8.336 9.307 -6.918) 14.282 15.732 ( -13.040 7.957 -2.335) 15.453 16.016 ( 1.765 2.894 -5.287) 6.280 16.349 ( 1.672 1.876 5.264) 5.833 16.519 ( -4.205 0.339 1.990) 4.665 16.732 ( 5.892 -3.342 6.073) 9.098 17.002 ( -2.708 3.136 6.084) 7.361 17.319 ( -0.837 1.425 -3.379) 3.761 17.417 ( -0.108 -2.100 -4.185) 4.684 17.574 ( -0.976 0.149 1.089) 1.470 18.265 ( -3.317 1.887 -6.234) 7.310 19.940 ( -1.258 2.545 1.907) 3.420 20.238 ( -4.338 0.794 -2.397) 5.019 21.084 ( 5.015 -0.494 10.579) 11.718 21.429 ( 11.243 3.589 6.178) 13.321 21.494 ( 4.520 0.950 5.698) 7.335 22.299 ( 2.805 3.933 2.904) 5.637 22.924 ( 4.856 -3.954 -0.842) 6.319 23.293 ( -8.334 5.019 -8.985) 13.243======================= Grid point 186 (68/125) =======================q-point: (-0.33 0.22 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.304 ( -10.509 28.403 12.621) 32.810 3.394 ( -2.661 30.842 14.946) 34.376 4.169 ( 9.451 -0.761 -0.316) 9.487 4.517 ( -9.067 4.041 3.008) 10.373 4.635 ( 8.684 3.773 26.057) 27.724 4.766 ( -7.531 4.115 6.880) 10.999 5.188 ( -1.585 7.744 -6.893) 10.488 5.780 ( 6.094 -7.751 4.248) 10.736 6.133 ( -11.618 -10.164 -2.325) 15.611 7.061 ( 8.138 -3.746 -2.047) 9.190 7.320 ( -7.809 -2.140 -4.587) 9.306 7.878 ( -2.109 -13.969 -2.548) 14.355 8.307 ( 8.113 -2.262 7.519) 11.290 8.630 ( 9.488 5.704 20.984) 23.725 8.800 ( -1.805 2.501 5.678) 6.462 9.232 ( -5.686 0.156 7.517) 9.427 9.294 ( -4.325 -2.220 5.428) 7.287 9.860 ( 5.274 -12.124 4.193) 13.870 10.084 ( -0.124 3.041 -7.709) 8.288 10.562 ( 3.867 -6.880 7.215) 10.693 10.776 ( 3.446 -12.745 -6.809) 14.855 10.904 ( 0.920 5.710 2.699) 6.383 11.224 ( -2.022 -10.920 -4.069) 11.828 11.316 ( -7.889 -6.444 -0.428) 10.195 12.009 ( 5.103 2.291 -2.888) 6.295 12.230 ( 1.466 -10.618 -0.257) 10.722 12.367 ( -2.035 -1.103 -6.218) 6.635 12.401 ( 0.186 -9.995 10.674) 14.624 12.435 ( 0.659 4.726 -9.941) 11.027 12.802 ( -2.541 10.555 -16.311) 19.594 13.042 ( -4.358 -5.571 -6.817) 9.824 13.651 ( 2.199 -5.706 -9.716) 11.480 14.189 ( -3.374 -3.397 0.604) 4.826 14.663 ( 1.846 -2.530 -3.031) 4.359 14.823 ( 11.083 5.111 5.182) 13.259 15.163 ( 5.297 11.383 -5.880) 13.864 15.396 ( -14.573 7.459 -2.508) 16.562 15.958 ( -0.545 7.117 -8.370) 11.001 16.309 ( -0.167 4.290 0.256) 4.301 16.449 ( -3.724 0.993 -0.339) 3.869 16.860 ( 4.417 -1.764 4.422) 6.495 16.911 ( -2.841 2.171 8.429) 9.156 17.264 ( -1.914 2.091 -5.523) 6.208 17.437 ( -1.043 -1.120 -0.843) 1.748 17.569 ( 0.562 -0.314 4.854) 4.896 18.188 ( -2.611 2.041 -5.324) 6.272 19.895 ( -0.899 1.262 0.909) 1.796 20.168 ( -2.400 1.575 -2.569) 3.853 21.175 ( 5.956 -0.951 14.935) 16.107 21.373 ( -4.509 1.843 11.839) 12.802 21.656 ( 13.873 4.509 -3.633) 15.033 22.249 ( -0.904 4.222 3.083) 5.306 22.941 ( 0.780 8.174 -1.497) 8.346 23.200 ( -4.089 -6.087 -6.910) 10.076======================= Grid point 187 (69/125) =======================q-point: (-0.22 0.22 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.773 ( 0.000 29.419 17.558) 34.260 2.868 ( 0.000 33.776 16.622) 37.645 4.252 ( 0.000 9.725 4.402) 10.675 4.303 ( 0.000 6.973 3.439) 7.775 4.500 ( 0.000 10.993 9.500) 14.529 4.727 ( 0.000 0.601 29.195) 29.201 5.066 ( 0.000 6.565 -14.853) 16.240 5.956 ( -0.000 -7.871 7.901) 11.153 6.268 ( -0.000 -19.595 1.737) 19.672 7.276 ( -0.000 -5.702 0.259) 5.708 7.311 ( -0.000 -14.403 -6.886) 15.965 8.093 ( -0.000 -16.334 -6.322) 17.515 8.402 ( -0.000 -3.222 10.692) 11.167 8.645 ( 0.000 4.494 17.893) 18.449 8.768 ( 0.000 1.251 -1.796) 2.189 9.103 ( 0.000 7.268 7.895) 10.731 9.295 ( -0.000 -4.182 8.365) 9.352 9.980 ( 0.000 5.666 -10.950) 12.329 10.127 ( -0.000 -4.441 -2.375) 5.036 10.528 ( 0.000 11.830 -0.448) 11.839 10.832 ( -0.000 -3.986 -2.600) 4.759 10.899 ( 0.000 4.001 5.028) 6.425 11.251 ( -0.000 -8.732 -10.890) 13.959 11.712 ( -0.000 -33.505 7.386) 34.310 11.940 ( 0.000 9.583 -2.548) 9.916 12.279 ( 0.000 2.733 -0.019) 2.733 12.385 ( -0.000 -0.150 4.991) 4.994 12.537 ( -0.000 -0.343 -13.198) 13.203 12.606 ( -0.000 -16.981 3.676) 17.374 12.643 ( -0.000 -6.316 -7.348) 9.689 13.083 ( -0.000 -6.321 -4.659) 7.853 13.756 ( -0.000 -4.474 -5.563) 7.138 14.207 ( -0.000 -1.840 -1.055) 2.121 14.690 ( 0.000 1.820 -3.613) 4.046 14.889 ( 0.000 1.360 6.972) 7.103 14.974 ( 0.000 13.049 -7.499) 15.050 15.184 ( 0.000 7.172 -6.210) 9.487 15.791 ( 0.000 12.422 -12.285) 17.471 16.227 ( 0.000 6.460 -1.781) 6.701 16.393 ( 0.000 2.586 -2.909) 3.892 16.838 ( 0.000 2.626 13.166) 13.425 16.915 ( 0.000 0.509 -1.780) 1.851 17.233 ( -0.000 -0.166 -4.278) 4.281 17.437 ( -0.000 -0.440 0.028) 0.441 17.596 ( -0.000 -2.521 9.290) 9.626 18.141 ( 0.000 1.509 -4.535) 4.779 19.879 ( -0.000 -0.127 0.517) 0.533 20.130 ( 0.000 1.112 -2.660) 2.883 21.277 ( -0.000 -3.145 24.249) 24.452 21.277 ( 0.000 2.696 3.182) 4.170 21.686 ( 0.000 5.466 -4.434) 7.038 22.171 ( 0.000 4.387 3.162) 5.408 22.792 ( 0.000 10.223 -0.413) 10.231 23.284 ( -0.000 -7.417 -6.718) 10.007======================= Grid point 192 (70/125) =======================q-point: ( 0.33 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.388 ( 23.334 -0.000 10.979) 25.788 3.654 ( 27.564 -0.000 17.143) 32.460 4.474 ( 9.218 -0.000 3.197) 9.757 4.665 ( 2.864 -0.000 -11.972) 12.309 4.876 ( -1.974 0.000 13.695) 13.837 5.332 ( 7.190 -0.000 7.313) 10.256 5.641 ( -33.155 0.000 -10.779) 34.863 5.752 ( -27.289 0.000 -9.466) 28.884 6.314 ( -14.158 0.000 20.794) 25.156 6.702 ( 33.777 -0.000 9.860) 35.187 7.239 ( 14.961 -0.000 -2.004) 15.095 7.771 ( -5.855 0.000 -4.442) 7.349 8.005 ( -6.388 0.000 22.196) 23.097 8.747 ( 6.119 -0.000 -7.274) 9.505 8.904 ( -15.899 0.000 4.785) 16.604 9.038 ( 15.150 -0.000 16.240) 22.210 9.181 ( -3.533 0.000 18.166) 18.506 9.637 ( -24.772 0.000 15.406) 29.172 9.847 ( -10.341 0.000 -12.887) 16.523 10.198 ( 10.949 -0.000 0.543) 10.963 10.293 ( 3.624 -0.000 -12.236) 12.761 10.824 ( 6.143 -0.000 9.609) 11.405 11.030 ( -25.499 0.000 -4.380) 25.872 11.522 ( -5.627 0.000 -8.848) 10.485 11.855 ( 3.855 -0.000 6.901) 7.905 12.235 ( 0.731 -0.000 -6.380) 6.421 12.356 ( -4.667 0.000 -2.557) 5.322 12.457 ( 13.995 -0.000 -19.470) 23.978 12.565 ( -12.700 0.000 6.521) 14.276 12.838 ( -1.670 0.000 1.712) 2.391 13.510 ( -4.282 0.000 -22.378) 22.784 13.564 ( -7.435 0.000 -15.340) 17.047 13.931 ( -0.266 0.000 5.668) 5.674 14.436 ( -3.441 0.000 -3.562) 4.952 14.735 ( 9.634 -0.000 8.752) 13.016 15.326 ( 7.926 -0.000 -5.983) 9.931 15.975 ( 8.930 -0.000 -4.303) 9.912 16.058 ( 3.957 -0.000 -5.425) 6.715 16.428 ( -10.133 0.000 5.007) 11.302 16.536 ( 7.708 -0.000 12.605) 14.775 16.584 ( -2.493 0.000 2.582) 3.589 17.126 ( -2.248 0.000 5.582) 6.018 17.254 ( 4.449 -0.000 -1.534) 4.706 17.372 ( -0.237 0.000 -8.148) 8.151 17.579 ( 1.118 -0.000 0.089) 1.122 18.342 ( -0.189 0.000 -6.693) 6.696 20.115 ( -3.953 0.000 6.351) 7.481 20.236 ( -1.930 0.000 -3.044) 3.604 21.056 ( 0.806 -0.000 4.924) 4.990 21.168 ( 21.942 -0.000 -1.488) 21.992 21.587 ( -3.089 0.000 13.777) 14.119 22.375 ( 3.928 -0.000 -2.573) 4.695 22.614 ( 9.216 -0.000 6.577) 11.323 23.617 ( -8.170 0.000 -12.537) 14.964======================= Grid point 193 (71/125) =======================q-point: ( 0.44 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.722 ( 18.880 -3.441 7.651) 20.660 3.996 ( 19.893 1.489 14.670) 24.762 4.562 ( 0.741 6.743 5.632) 8.817 4.637 ( 0.612 9.333 6.428) 11.348 4.790 ( -0.741 -0.452 2.492) 2.639 5.014 ( -25.357 7.097 -7.177) 27.292 5.406 ( -13.054 -8.409 -5.887) 16.607 5.577 ( -4.167 0.971 -7.185) 8.363 6.126 ( -9.039 3.389 14.472) 17.396 7.089 ( 18.161 3.708 11.241) 21.678 7.446 ( 12.764 -0.737 3.511) 13.258 7.633 ( 0.375 6.291 0.397) 6.315 8.080 ( 0.660 -9.584 16.529) 19.117 8.669 ( -7.391 3.118 1.539) 8.168 8.891 ( 1.445 -8.630 1.260) 8.840 9.076 ( 3.716 8.834 19.375) 21.615 9.266 ( -9.468 -3.248 10.508) 14.513 9.372 ( -3.190 -8.948 18.236) 20.562 9.850 ( -0.424 -9.893 -11.336) 15.052 10.095 ( 2.322 7.981 -6.034) 10.271 10.493 ( -13.059 4.136 -4.036) 14.280 10.678 ( 1.509 -11.674 -1.595) 11.879 11.048 ( -2.713 -13.070 2.981) 13.678 11.408 ( -6.828 2.326 -9.656) 12.053 11.935 ( 3.482 -2.795 6.628) 7.991 12.072 ( -3.865 10.758 1.207) 11.495 12.318 ( -4.957 -0.461 1.581) 5.224 12.401 ( -8.179 -0.804 0.371) 8.227 12.713 ( 15.935 1.274 -25.350) 29.969 12.828 ( -0.299 -1.488 -0.416) 1.574 13.350 ( -4.644 9.473 -24.081) 26.290 13.485 ( -5.350 -1.717 -14.888) 15.913 13.995 ( -2.039 -7.074 3.524) 8.162 14.411 ( -3.001 -3.811 -0.485) 4.875 14.891 ( 14.190 2.691 9.007) 17.021 15.405 ( 6.522 3.114 -7.005) 10.065 15.923 ( -11.697 4.006 -3.529) 12.858 16.092 ( 2.232 1.601 -2.727) 3.871 16.368 ( 2.345 0.100 8.756) 9.065 16.540 ( -2.036 1.004 3.644) 4.294 16.622 ( 1.209 -3.205 10.104) 10.669 17.092 ( -0.761 2.058 4.744) 5.227 17.315 ( 2.676 -1.092 -0.201) 2.897 17.389 ( 1.094 -0.286 -8.438) 8.514 17.591 ( 1.254 0.873 -3.451) 3.774 18.321 ( -1.372 1.330 -7.283) 7.530 20.038 ( -2.287 3.144 4.120) 5.665 20.218 ( -3.335 -1.762 -1.967) 4.254 21.087 ( 4.290 0.446 9.292) 10.245 21.488 ( 21.252 0.279 -2.713) 21.426 21.522 ( -3.969 0.882 11.568) 12.262 22.387 ( -0.055 1.554 -1.812) 2.388 22.768 ( 7.195 -3.516 3.843) 8.883 23.471 ( -7.538 3.908 -9.629) 12.838======================= Grid point 194 (72/125) =======================q-point: (-0.44 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 325Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.995 ( 11.056 2.251 5.498) 12.551 4.065 ( 1.032 14.368 6.002) 15.606 4.241 ( -1.476 14.390 8.222) 16.638 4.510 ( -6.327 4.243 5.451) 9.367 4.711 ( -8.213 -1.004 9.809) 12.832 4.868 ( 5.138 2.307 6.602) 8.678 5.391 ( -1.416 2.032 -8.792) 9.134 5.544 ( -2.388 -8.254 -7.954) 11.709 5.966 ( -7.354 1.474 4.223) 8.608 7.089 ( 0.382 6.434 16.702) 17.903 7.499 ( 4.184 11.068 -7.435) 13.974 7.682 ( 3.435 -3.163 3.826) 6.037 8.238 ( 6.176 -4.071 11.543) 13.710 8.633 ( 1.415 -5.318 11.170) 12.452 8.900 ( -8.876 2.272 18.623) 20.755 9.061 ( 4.040 -0.545 3.859) 5.613 9.287 ( 3.954 -8.996 12.186) 15.655 9.504 ( -4.261 -8.024 7.893) 12.035 10.018 ( 5.475 -8.171 -1.287) 9.919 10.151 ( -12.258 -1.918 -6.347) 13.937 10.253 ( 1.796 -13.884 -5.072) 14.890 10.944 ( 4.557 -9.121 -0.473) 10.206 11.150 ( -3.757 -5.029 1.863) 6.548 11.283 ( -6.310 0.954 -11.085) 12.791 11.913 ( 0.437 4.310 0.857) 4.416 12.024 ( 1.540 -3.677 5.806) 7.043 12.245 ( -4.378 -1.104 10.219) 11.172 12.339 ( -3.504 -0.988 -6.770) 7.687 12.774 ( 5.584 8.143 -15.143) 18.078 12.913 ( 4.608 -1.088 -12.919) 13.759 13.135 ( -4.289 9.792 -24.524) 26.753 13.481 ( -1.301 -4.563 -13.776) 14.570 14.040 ( -4.313 -5.432 3.295) 7.679 14.472 ( -0.961 -7.277 -0.052) 7.340 15.048 ( 17.161 6.489 7.931) 19.988 15.419 ( 4.315 5.364 -7.043) 9.849 15.611 ( -18.337 6.126 0.586) 19.342 16.099 ( 2.580 2.622 -2.757) 4.597 16.386 ( 0.273 0.661 4.259) 4.319 16.485 ( -2.337 2.184 4.357) 5.405 16.713 ( 2.131 -5.593 7.458) 9.563 17.030 ( -1.396 3.989 5.073) 6.603 17.345 ( 0.988 1.291 -1.197) 2.019 17.406 ( 0.612 -0.666 -4.702) 4.788 17.583 ( 0.520 1.614 -4.476) 4.787 18.268 ( -1.420 2.774 -6.993) 7.656 19.966 ( -0.972 3.062 2.270) 3.934 20.192 ( -2.384 -0.430 -1.844) 3.045 21.157 ( 5.285 -0.111 15.464) 16.343 21.430 ( -4.822 1.590 8.899) 10.245 21.762 ( 17.041 2.157 -4.638) 17.792 22.334 ( -4.050 1.073 -0.667) 4.243 22.906 ( 3.136 -4.728 1.202) 5.800 23.299 ( -4.453 6.956 -6.801) 10.699======================= Grid point 195 (73/125) =======================q-point: (-0.33 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.643 ( 0.000 26.531 6.645) 27.351 3.836 ( 0.000 27.273 14.410) 30.846 4.267 ( -0.000 -3.473 -0.397) 3.496 4.404 ( 0.000 0.543 -4.069) 4.105 4.697 ( -0.000 -2.146 25.932) 26.021 4.841 ( 0.000 6.460 12.946) 14.468 5.288 ( 0.000 7.513 -14.838) 16.632 5.719 ( -0.000 -10.440 -2.382) 10.708 5.906 ( -0.000 -3.771 1.586) 4.091 7.074 ( -0.000 -4.525 9.042) 10.111 7.312 ( 0.000 12.515 -9.402) 15.653 7.742 ( -0.000 -3.608 2.046) 4.147 8.347 ( -0.000 -2.468 9.345) 9.665 8.764 ( -0.000 -0.908 29.526) 29.540 8.793 ( 0.000 0.560 11.082) 11.096 9.071 ( -0.000 -4.733 2.086) 5.172 9.389 ( 0.000 8.864 -2.400) 9.184 9.657 ( -0.000 -20.970 11.501) 23.917 10.008 ( -0.000 -2.324 -1.480) 2.755 10.396 ( -0.000 -22.952 7.343) 24.098 10.530 ( -0.000 -15.434 -14.854) 21.420 11.031 ( 0.000 1.445 4.571) 4.794 11.159 ( -0.000 -0.900 5.017) 5.097 11.183 ( 0.000 3.154 -14.067) 14.417 11.991 ( -0.000 -12.497 -3.824) 13.069 12.073 ( -0.000 -1.412 4.662) 4.872 12.265 ( -0.000 -5.823 11.239) 12.658 12.327 ( -0.000 -0.795 -7.276) 7.319 12.650 ( 0.000 13.708 -15.061) 20.366 12.948 ( 0.000 10.148 -23.998) 26.055 12.956 ( -0.000 -1.934 -7.191) 7.447 13.570 ( -0.000 -6.768 -12.086) 13.852 14.081 ( -0.000 -5.218 3.264) 6.155 14.580 ( -0.000 -7.142 -1.254) 7.251 15.120 ( 0.000 10.313 9.844) 14.257 15.286 ( 0.000 7.425 -4.325) 8.593 15.381 ( 0.000 5.668 -5.522) 7.913 16.061 ( 0.000 5.362 -5.868) 7.949 16.360 ( 0.000 2.850 1.617) 3.277 16.435 ( 0.000 1.073 1.976) 2.248 16.823 ( -0.000 -5.864 6.458) 8.723 16.950 ( 0.000 4.496 7.497) 8.742 17.305 ( 0.000 4.097 -4.907) 6.393 17.421 ( -0.000 -0.624 -1.945) 2.042 17.571 ( 0.000 0.271 -0.049) 0.276 18.210 ( 0.000 3.029 -6.024) 6.742 19.918 ( 0.000 2.408 1.207) 2.694 20.170 ( 0.000 0.875 -2.186) 2.355 21.215 ( -0.000 -1.072 22.247) 22.273 21.356 ( 0.000 2.257 3.895) 4.502 21.846 ( 0.000 4.610 -5.315) 7.036 22.275 ( 0.000 1.721 1.479) 2.270 23.000 ( -0.000 -3.738 -0.605) 3.787 23.153 ( 0.000 6.331 -5.695) 8.515======================= Grid point 202 (74/125) =======================q-point: ( 0.44 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.934 ( 13.794 -0.000 4.303) 14.449 4.256 ( 13.599 -0.000 9.495) 16.586 4.547 ( -14.320 0.000 -0.497) 14.329 4.637 ( -12.962 0.000 -11.960) 17.637 4.752 ( 5.836 -0.000 14.700) 15.816 4.923 ( -2.226 0.000 3.894) 4.485 5.111 ( -5.640 0.000 -7.807) 9.632 5.568 ( -3.008 0.000 -8.933) 9.426 6.080 ( -3.630 0.000 21.068) 21.378 7.373 ( 10.652 -0.000 8.838) 13.840 7.498 ( 1.302 -0.000 21.863) 21.902 7.699 ( -0.159 0.000 -0.588) 0.609 8.095 ( 11.258 -0.000 13.869) 17.863 8.615 ( -3.940 0.000 4.482) 5.968 8.826 ( 1.876 -0.000 -5.797) 6.093 8.983 ( -17.687 0.000 15.506) 23.521 9.209 ( 3.309 -0.000 10.102) 10.630 9.419 ( 7.767 -0.000 23.330) 24.589 9.717 ( 4.405 -0.000 -9.509) 10.480 10.268 ( -24.807 0.000 -5.232) 25.353 10.343 ( 0.262 -0.000 -10.285) 10.288 10.438 ( 5.626 -0.000 -9.171) 10.759 11.023 ( 5.564 -0.000 9.832) 11.297 11.328 ( -6.116 0.000 -11.420) 12.955 11.961 ( 2.657 -0.000 7.515) 7.971 12.122 ( -3.176 0.000 -0.278) 3.189 12.240 ( -4.948 0.000 5.723) 7.565 12.272 ( -4.262 0.000 0.492) 4.291 12.814 ( -0.170 0.000 -0.023) 0.171 12.971 ( 15.812 -0.000 -29.649) 33.602 13.335 ( -8.448 0.000 -30.920) 32.053 13.400 ( -3.196 0.000 -14.670) 15.014 13.932 ( 0.100 -0.000 6.479) 6.480 14.338 ( -2.209 0.000 1.159) 2.495 15.150 ( 18.251 -0.000 9.305) 20.486 15.499 ( 3.437 -0.000 -7.366) 8.128 15.716 ( -19.433 0.000 1.992) 19.535 16.135 ( 1.645 -0.000 -0.243) 1.663 16.388 ( -0.071 0.000 5.055) 5.056 16.568 ( 2.857 -0.000 5.505) 6.202 16.579 ( -1.602 0.000 9.002) 9.143 17.101 ( -0.447 0.000 3.604) 3.632 17.343 ( 2.055 -0.000 1.706) 2.671 17.396 ( -0.031 0.000 -5.683) 5.683 17.629 ( 2.047 -0.000 -8.920) 9.152 18.318 ( -0.790 0.000 -8.032) 8.071 20.036 ( -1.400 0.000 4.589) 4.798 20.164 ( -1.974 0.000 -2.506) 3.190 21.159 ( 4.895 -0.000 14.335) 15.147 21.456 ( -5.020 0.000 8.347) 9.741 21.790 ( 18.811 -0.000 -5.199) 19.516 22.339 ( -6.994 0.000 -4.226) 8.171 22.835 ( 4.711 -0.000 4.652) 6.620 23.415 ( -4.278 0.000 -7.288) 8.450======================= Grid point 203 (75/125) =======================q-point: (-0.44 0.44 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 185Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.082 ( -0.000 -3.721 3.280) 4.960 4.311 ( 0.000 15.437 -4.436) 16.061 4.374 ( 0.000 3.707 12.093) 12.648 4.429 ( 0.000 1.987 -11.053) 11.230 4.742 ( 0.000 6.353 18.787) 19.832 4.938 ( 0.000 0.299 10.768) 10.773 5.214 ( -0.000 -15.395 -11.999) 19.519 5.512 ( 0.000 3.138 -11.510) 11.931 5.999 ( 0.000 6.234 16.456) 17.597 7.254 ( 0.000 13.910 20.720) 24.956 7.635 ( -0.000 -7.109 10.648) 12.803 7.674 ( 0.000 4.834 -2.200) 5.311 8.231 ( -0.000 -3.821 13.216) 13.757 8.564 ( -0.000 -0.890 -0.834) 1.220 8.823 ( 0.000 1.002 18.415) 18.442 9.000 ( -0.000 -15.788 -1.865) 15.898 9.326 ( -0.000 -10.501 8.221) 13.337 9.330 ( 0.000 12.564 24.658) 27.674 9.995 ( -0.000 -17.685 -6.220) 18.747 10.020 ( -0.000 -0.510 -6.450) 6.470 10.145 ( 0.000 13.353 -9.139) 16.181 10.726 ( -0.000 -19.177 -7.855) 20.724 11.085 ( -0.000 -2.301 8.587) 8.890 11.268 ( 0.000 1.481 -12.222) 12.312 11.996 ( -0.000 -1.875 7.460) 7.692 12.017 ( 0.000 8.042 0.583) 8.063 12.196 ( -0.000 -0.289 10.350) 10.354 12.284 ( -0.000 -2.761 -4.708) 5.458 12.819 ( -0.000 -0.652 -1.300) 1.455 13.085 ( 0.000 6.500 -27.089) 27.857 13.185 ( 0.000 4.722 -32.027) 32.373 13.404 ( -0.000 -3.400 -14.696) 15.085 13.951 ( -0.000 -2.455 5.943) 6.430 14.365 ( -0.000 -5.233 1.253) 5.381 15.370 ( 0.000 4.880 12.820) 13.717 15.430 ( 0.000 2.229 -0.717) 2.341 15.507 ( 0.000 2.271 -7.327) 7.671 16.142 ( 0.000 0.741 0.004) 0.741 16.385 ( -0.000 -0.169 3.546) 3.550 16.520 ( 0.000 3.656 6.259) 7.249 16.648 ( -0.000 -4.811 7.339) 8.776 17.075 ( 0.000 2.827 3.512) 4.508 17.362 ( -0.000 -0.203 2.315) 2.324 17.399 ( -0.000 -0.664 -4.705) 4.751 17.626 ( 0.000 2.343 -9.664) 9.944 18.297 ( 0.000 1.939 -7.911) 8.145 20.003 ( 0.000 2.584 3.309) 4.198 20.161 ( -0.000 -1.203 -1.901) 2.249 21.203 ( 0.000 0.008 19.360) 19.360 21.405 ( 0.000 0.863 4.315) 4.400 21.946 ( 0.000 1.753 -5.912) 6.166 22.267 ( -0.000 -1.298 -3.489) 3.723 22.883 ( -0.000 -1.831 3.546) 3.991 23.353 ( 0.000 4.003 -6.056) 7.259======================= Grid point 243 (76/125) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.372 ( 0.000 0.000 38.149) 38.149 2.559 ( 0.000 0.000 40.460) 40.460 3.828 ( 0.000 0.000 -26.052) 26.052 3.948 ( 0.000 0.000 7.330) 7.330 4.258 ( 0.000 0.000 11.668) 11.668 4.882 ( 0.000 0.000 25.281) 25.281 5.076 ( 0.000 0.000 9.007) 9.007 6.111 ( 0.000 0.000 -22.486) 22.486 7.721 ( 0.000 0.000 4.592) 4.592 7.902 ( 0.000 0.000 9.149) 9.149 8.045 ( 0.000 0.000 -1.593) 1.593 8.149 ( 0.000 0.000 -18.441) 18.441 8.382 ( 0.000 0.000 -7.491) 7.491 8.567 ( 0.000 0.000 -11.098) 11.098 8.806 ( 0.000 0.000 25.845) 25.845 9.074 ( 0.000 0.000 11.735) 11.735 9.416 ( 0.000 0.000 -7.653) 7.653 9.576 ( 0.000 0.000 24.717) 24.717 9.844 ( 0.000 0.000 10.832) 10.832 10.297 ( 0.000 0.000 -8.004) 8.004 10.300 ( 0.000 0.000 -35.891) 35.891 10.308 ( 0.000 0.000 -9.603) 9.603 11.747 ( 0.000 0.000 -1.818) 1.818 11.862 ( 0.000 0.000 -0.661) 0.661 12.138 ( 0.000 0.000 12.384) 12.384 12.200 ( 0.000 0.000 4.719) 4.719 13.042 ( 0.000 0.000 11.703) 11.703 13.099 ( 0.000 0.000 -0.528) 0.528 13.305 ( 0.000 0.000 -4.335) 4.335 13.362 ( 0.000 0.000 1.156) 1.156 13.767 ( 0.000 0.000 0.770) 0.770 13.819 ( 0.000 0.000 0.205) 0.205 14.032 ( 0.000 0.000 -5.593) 5.593 14.124 ( 0.000 0.000 -0.382) 0.382 14.234 ( 0.000 0.000 -12.520) 12.520 14.405 ( 0.000 0.000 -12.495) 12.495 14.990 ( 0.000 0.000 4.546) 4.546 15.109 ( 0.000 0.000 -0.744) 0.744 15.871 ( 0.000 0.000 9.712) 9.712 16.028 ( 0.000 0.000 -4.818) 4.818 16.739 ( 0.000 0.000 -2.528) 2.528 17.030 ( 0.000 0.000 -10.425) 10.425 17.078 ( 0.000 0.000 13.136) 13.136 17.434 ( 0.000 0.000 -3.449) 3.449 18.026 ( 0.000 0.000 2.030) 2.030 18.042 ( 0.000 0.000 1.488) 1.488 19.973 ( 0.000 0.000 0.174) 0.174 20.062 ( 0.000 0.000 -4.886) 4.886 21.234 ( 0.000 0.000 3.339) 3.339 21.401 ( 0.000 0.000 -4.241) 4.241 21.803 ( 0.000 0.000 7.695) 7.695 21.979 ( 0.000 0.000 -2.035) 2.035 22.692 ( 0.000 0.000 13.850) 13.850 23.259 ( 0.000 0.000 -11.461) 11.461======================= Grid point 244 (77/125) =======================q-point: ( 0.11 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.462 ( 4.753 -6.634 34.614) 35.563 2.624 ( 7.879 -4.492 37.684) 38.760 3.831 ( -2.443 -1.054 -26.414) 26.547 4.012 ( 5.036 -1.837 -14.546) 15.503 4.379 ( 9.974 -8.420 30.172) 32.874 4.927 ( 4.347 -2.037 24.708) 25.170 5.151 ( 8.341 -0.648 10.318) 13.284 6.114 ( 3.627 2.686 -21.767) 22.230 7.412 ( -13.752 18.914 9.187) 25.125 7.895 ( 2.546 2.969 9.807) 10.558 8.072 ( -11.187 8.467 -17.030) 22.065 8.087 ( -0.697 -2.057 -3.647) 4.245 8.304 ( -7.744 -1.947 -1.172) 8.071 8.610 ( -3.303 -6.615 -13.347) 15.258 8.756 ( 1.308 7.460 18.685) 20.161 9.089 ( 0.402 -0.476 10.131) 10.150 9.397 ( 11.612 3.588 -4.140) 12.839 9.600 ( -6.015 -1.464 14.653) 15.907 9.877 ( -4.378 -12.439 4.890) 14.064 10.167 ( 4.886 5.725 -10.306) 12.762 10.466 ( -0.661 -11.565 -13.068) 17.463 10.581 ( 17.712 -8.600 -13.213) 23.712 11.648 ( -3.932 6.765 0.477) 7.839 11.842 ( -4.893 0.652 -2.324) 5.456 12.065 ( -9.869 0.346 10.753) 14.600 12.197 ( -2.531 -0.967 2.785) 3.886 12.865 ( -8.508 8.770 7.396) 14.283 12.973 ( -8.124 5.768 -0.491) 9.975 13.111 ( -5.654 15.256 2.397) 16.446 13.338 ( 2.214 5.457 -5.782) 8.253 13.631 ( -3.438 10.147 -0.736) 10.739 13.761 ( -6.320 3.095 -1.968) 7.307 14.065 ( -1.273 -0.678 1.432) 2.033 14.206 ( 5.548 -7.151 -2.223) 9.320 14.439 ( 11.023 -5.812 -10.615) 16.370 14.519 ( 0.760 -12.145 -10.403) 16.009 15.026 ( 4.015 -2.301 4.043) 6.145 15.160 ( 4.060 -5.209 -2.014) 6.905 15.946 ( 7.077 -1.932 6.528) 9.820 16.131 ( 7.091 -5.310 -3.067) 9.375 16.773 ( 2.803 -0.908 -2.710) 4.003 17.023 ( -2.389 -1.817 -8.085) 8.624 17.110 ( 4.201 -0.340 11.028) 11.806 17.441 ( 1.027 0.410 -2.876) 3.081 17.979 ( -2.172 3.569 3.693) 5.576 18.050 ( 0.049 -1.002 -0.303) 1.048 19.982 ( 2.675 1.432 0.288) 3.047 20.068 ( 1.526 0.411 -4.275) 4.557 21.225 ( -2.422 -0.904 2.780) 3.796 21.335 ( -10.124 -1.893 -1.423) 10.397 21.807 ( 1.331 0.489 8.993) 9.104 22.012 ( 1.738 -2.439 -2.112) 3.664 22.683 ( -0.847 0.003 13.687) 13.713 23.284 ( 3.649 1.032 -13.466) 13.990======================= Grid point 245 (78/125) =======================q-point: ( 0.22 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.734 ( 13.149 -13.167 24.946) 31.122 2.940 ( 14.318 -14.276 31.203) 37.181 3.805 ( 0.129 -0.662 -23.757) 23.767 4.163 ( 6.508 -6.520 -21.017) 22.948 4.701 ( 12.144 -8.393 29.506) 32.992 5.081 ( 9.579 -5.562 24.094) 26.518 5.292 ( 12.531 2.559 11.576) 17.250 6.141 ( 7.429 4.174 -19.059) 20.877 6.883 ( -15.728 21.261 13.867) 29.861 7.601 ( -13.654 24.110 -10.374) 29.586 7.858 ( -6.315 5.200 7.561) 11.139 7.934 ( -22.679 -2.600 -1.083) 22.853 8.317 ( 1.420 -6.698 0.319) 6.854 8.582 ( -5.112 -0.687 -1.318) 5.324 8.763 ( 2.441 -4.506 -4.712) 6.962 9.055 ( 2.873 13.861 -5.620) 15.230 9.459 ( 6.553 -2.398 10.652) 12.734 9.731 ( 5.735 -14.051 0.211) 15.178 10.095 ( 4.161 -14.337 6.429) 16.254 10.209 ( 6.252 2.265 9.676) 11.741 10.547 ( -8.439 -7.561 -7.902) 13.814 10.988 ( 17.024 -8.895 -10.493) 21.887 11.450 ( -7.924 8.952 -1.758) 12.084 11.687 ( -7.148 6.554 -5.734) 11.266 11.873 ( -15.358 -2.366 5.718) 16.558 12.138 ( -5.619 0.948 -3.171) 6.521 12.666 ( -1.024 8.711 1.678) 8.930 12.766 ( -2.243 16.554 2.888) 16.953 12.826 ( -8.520 1.162 6.383) 10.709 13.171 ( -4.842 12.832 -3.950) 14.273 13.439 ( -2.165 9.977 -4.165) 11.026 13.594 ( -7.385 4.081 -6.879) 10.886 14.062 ( -3.170 -2.665 6.647) 7.831 14.380 ( 3.149 -7.076 -5.269) 9.368 14.594 ( 3.523 -3.649 -5.136) 7.218 14.688 ( 4.789 -2.045 -6.925) 8.665 15.203 ( 9.111 -7.806 3.441) 12.482 15.410 ( 10.531 -11.304 -5.983) 16.567 16.095 ( 7.759 -3.024 3.912) 9.201 16.328 ( 7.943 -4.702 -3.705) 9.946 16.804 ( -0.060 0.250 -0.276) 0.377 17.057 ( 0.743 -5.036 -4.647) 6.893 17.186 ( 5.768 1.145 6.609) 8.847 17.442 ( 0.362 0.415 -1.804) 1.886 17.874 ( -3.986 3.720 6.594) 8.556 18.082 ( 2.460 -0.928 -3.675) 4.519 19.999 ( 3.518 2.473 1.099) 4.439 20.102 ( 3.865 0.000 -3.636) 5.306 21.186 ( -5.431 -0.831 1.758) 5.768 21.207 ( -11.554 -3.218 2.134) 12.182 21.829 ( 1.966 -0.108 11.876) 12.038 22.089 ( 1.825 -3.812 -1.469) 4.474 22.683 ( -0.525 -1.730 11.640) 11.780 23.302 ( 3.190 3.645 -15.508) 16.247======================= Grid point 246 (79/125) =======================q-point: ( 0.33 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.194 ( 16.160 -17.055 17.503) 29.298 3.410 ( 14.892 -17.822 23.873) 33.306 3.911 ( 7.861 -5.715 -15.940) 18.669 4.330 ( 1.302 -5.411 -14.681) 15.701 4.916 ( 7.085 -2.430 23.842) 24.991 5.343 ( 8.304 -9.097 17.316) 21.250 5.444 ( 20.311 6.497 10.352) 23.705 6.136 ( 0.782 13.129 0.400) 13.158 6.396 ( -5.930 13.534 -0.733) 14.794 7.067 ( -11.138 19.138 -7.663) 23.431 7.450 ( -29.961 2.875 -1.899) 30.159 7.690 ( -22.561 1.644 -9.030) 24.357 8.406 ( 7.286 1.370 10.618) 12.950 8.668 ( 6.256 -6.521 -1.963) 9.247 8.820 ( 2.338 5.592 -1.079) 6.156 8.945 ( 3.341 -1.973 -11.675) 12.303 9.635 ( 3.054 -6.409 17.302) 18.702 10.034 ( 8.708 -8.730 -3.402) 12.791 10.245 ( 5.765 1.614 21.639) 22.452 10.364 ( 2.995 -10.461 6.007) 12.429 10.482 ( -12.473 -6.543 3.352) 14.478 11.047 ( -14.910 8.026 -1.120) 16.970 11.372 ( 10.015 -3.698 -8.143) 13.427 11.542 ( 1.151 6.581 -14.558) 16.018 11.766 ( -8.953 -6.426 -6.770) 12.934 12.018 ( -4.995 4.851 -6.920) 9.816 12.426 ( -3.711 12.501 8.843) 15.756 12.609 ( 1.509 6.693 0.310) 6.868 12.743 ( -4.827 0.609 2.631) 5.532 12.937 ( -3.998 6.286 -1.359) 7.573 13.205 ( -8.549 9.768 -4.500) 13.738 13.471 ( -1.659 3.973 -12.526) 13.245 14.048 ( -1.879 -0.425 10.276) 10.455 14.513 ( 1.045 -6.341 -8.659) 10.783 14.680 ( 4.891 0.495 -1.945) 5.287 14.754 ( 1.510 -2.000 -3.460) 4.272 15.466 ( 8.988 -8.103 2.138) 12.289 15.703 ( 8.676 -6.905 -7.938) 13.636 16.248 ( 6.287 -3.794 3.643) 8.197 16.469 ( 3.971 -2.453 -5.430) 7.160 16.779 ( -1.985 0.464 6.136) 6.466 17.156 ( 1.702 -1.199 -8.756) 9.001 17.215 ( 3.253 0.244 8.717) 9.308 17.455 ( 0.846 -0.461 -4.275) 4.382 17.776 ( -2.725 2.110 10.278) 10.840 18.140 ( 3.284 -0.783 -6.717) 7.518 20.006 ( 2.517 2.201 3.010) 4.500 20.173 ( 5.259 -0.250 -4.527) 6.944 21.079 ( -10.295 -2.664 3.634) 11.238 21.141 ( -4.075 -0.632 0.520) 4.156 21.863 ( 1.666 -0.749 15.331) 15.439 22.161 ( 0.540 -2.944 0.719) 3.078 22.728 ( 0.765 -4.027 6.614) 7.781 23.262 ( 1.218 5.423 -15.264) 16.244======================= Grid point 247 (80/125) =======================q-point: ( 0.44 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.629 ( 10.533 -11.689 14.249) 21.228 3.789 ( 4.812 -7.702 16.764) 19.066 4.140 ( 9.423 -5.628 -4.291) 11.785 4.326 ( -5.242 1.585 -3.577) 6.541 5.010 ( 2.242 -2.281 20.617) 20.864 5.518 ( 2.174 -3.325 5.914) 7.125 5.684 ( 19.630 5.739 8.707) 22.228 5.762 ( -10.541 9.594 21.971) 26.189 6.346 ( 4.374 3.154 -22.004) 22.655 6.777 ( -1.507 6.829 -11.869) 13.776 7.024 ( -19.219 2.020 -1.116) 19.357 7.353 ( -15.142 0.846 -15.718) 21.841 8.498 ( 6.227 1.387 14.812) 16.128 8.727 ( 0.944 2.655 7.094) 7.633 8.866 ( 4.153 -2.025 -3.209) 5.626 9.086 ( 1.654 -6.839 -15.145) 16.700 9.687 ( -0.908 -0.099 18.342) 18.365 10.164 ( 4.113 -1.949 8.100) 9.292 10.304 ( -8.111 2.213 7.555) 11.303 10.395 ( 5.661 0.590 19.027) 19.860 10.560 ( 0.928 -8.803 2.427) 9.179 10.785 ( -8.828 1.151 2.193) 9.169 11.478 ( -0.353 1.451 -16.428) 16.495 11.506 ( 3.428 0.665 3.387) 4.865 11.774 ( -1.718 -2.490 -21.510) 21.722 11.871 ( -1.241 5.682 -3.580) 6.829 12.343 ( 0.171 -4.417 -3.057) 5.375 12.487 ( -0.905 8.965 -2.823) 9.442 12.691 ( 0.809 2.076 4.646) 5.152 12.856 ( -6.081 -2.750 -3.705) 7.634 12.982 ( -1.960 6.486 1.845) 7.023 13.414 ( -0.382 1.626 -15.428) 15.519 14.029 ( -0.573 0.244 12.358) 12.374 14.593 ( 0.113 -2.726 -12.552) 12.845 14.717 ( 2.337 1.163 1.399) 2.961 14.797 ( 0.350 -1.418 -1.902) 2.398 15.665 ( 4.111 -4.224 -0.250) 5.900 15.838 ( 2.668 -0.614 -7.906) 8.367 16.379 ( 3.542 -2.915 4.276) 6.271 16.527 ( 0.302 -1.382 -3.439) 3.719 16.737 ( -1.184 1.508 8.538) 8.750 17.121 ( -0.600 2.059 -3.194) 3.847 17.309 ( 2.959 -2.682 1.763) 4.366 17.448 ( -1.188 0.843 -6.181) 6.350 17.741 ( -0.181 0.302 11.707) 11.712 18.185 ( 1.452 -0.285 -8.138) 8.271 20.007 ( 0.920 0.857 4.550) 4.721 20.239 ( 2.684 -0.123 -5.937) 6.517 20.998 ( -4.326 -1.017 4.367) 6.231 21.106 ( -1.547 -0.227 -0.474) 1.634 21.891 ( 0.692 -0.465 17.982) 18.002 22.191 ( -0.178 -0.931 2.718) 2.878 22.805 ( 0.892 -3.049 1.753) 3.628 23.194 ( -0.025 3.413 -14.088) 14.495======================= Grid point 253 (81/125) =======================q-point: ( 0.11 0.11 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.552 ( 14.157 -0.000 30.870) 33.961 2.707 ( 10.488 -0.000 35.568) 37.082 3.821 ( 1.199 -0.000 -26.324) 26.351 4.060 ( 3.598 -0.000 -23.466) 23.741 4.534 ( 20.663 -0.000 37.696) 42.988 4.986 ( 6.149 -0.000 22.701) 23.519 5.344 ( 17.736 -0.000 13.171) 22.091 6.209 ( 6.882 -0.000 -21.952) 23.006 7.298 ( -22.174 0.000 7.923) 23.547 7.778 ( -26.586 0.000 -10.458) 28.569 7.895 ( -6.871 0.000 5.947) 9.087 8.059 ( -2.205 0.000 -7.492) 7.810 8.310 ( -2.264 0.000 0.439) 2.306 8.580 ( 1.672 -0.000 -7.581) 7.763 8.719 ( -9.283 0.000 22.636) 24.466 9.104 ( 3.413 -0.000 3.138) 4.636 9.492 ( 12.826 -0.000 11.430) 17.180 9.704 ( 0.426 -0.000 -2.618) 2.652 9.708 ( 0.215 -0.000 -4.237) 4.242 10.277 ( 1.413 -0.000 -18.163) 18.218 10.413 ( 8.419 -0.000 3.257) 9.027 10.775 ( 18.480 -0.000 -13.938) 23.147 11.543 ( -16.489 0.000 5.247) 17.303 11.779 ( -6.307 0.000 -2.474) 6.775 11.915 ( -11.275 0.000 9.956) 15.041 12.139 ( -5.397 0.000 1.277) 5.546 12.735 ( -13.762 0.000 3.328) 14.159 12.841 ( -12.739 0.000 2.416) 12.966 13.203 ( -6.526 0.000 -0.991) 6.601 13.263 ( -6.391 0.000 -3.534) 7.303 13.645 ( -5.817 0.000 -2.786) 6.450 13.689 ( -6.502 0.000 -0.116) 6.503 14.038 ( -2.443 0.000 1.561) 2.899 14.252 ( -1.696 0.000 -9.825) 9.971 14.466 ( 14.476 -0.000 -1.967) 14.609 14.733 ( 23.978 -0.000 -12.515) 27.047 15.057 ( 5.414 -0.000 3.718) 6.568 15.164 ( 5.157 -0.000 -0.895) 5.234 16.065 ( 9.651 -0.000 8.511) 12.868 16.218 ( 10.295 -0.000 -2.219) 10.531 16.837 ( 6.008 -0.000 -4.838) 7.714 16.950 ( -5.029 0.000 -8.004) 9.453 17.192 ( 7.284 -0.000 9.943) 12.326 17.456 ( -0.014 0.000 -1.114) 1.114 17.947 ( -6.128 0.000 3.755) 7.187 18.056 ( 2.563 -0.000 -1.602) 3.023 20.053 ( 5.364 -0.000 -0.498) 5.387 20.100 ( 2.508 -0.000 -3.595) 4.383 21.145 ( -13.060 0.000 4.535) 13.825 21.179 ( -3.054 0.000 0.952) 3.199 21.829 ( 1.256 -0.000 7.910) 8.009 22.025 ( 2.728 -0.000 -2.567) 3.746 22.668 ( -1.010 0.000 15.325) 15.358 23.357 ( 4.462 -0.000 -16.864) 17.445======================= Grid point 254 (82/125) =======================q-point: ( 0.22 0.11 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.846 ( 21.090 -4.852 23.561) 31.992 2.971 ( 16.128 -9.390 29.427) 34.846 3.855 ( 5.969 1.115 -22.844) 23.638 4.152 ( 4.500 -4.761 -23.615) 24.507 4.871 ( 20.179 -0.794 30.945) 36.951 5.110 ( 7.202 -4.470 20.799) 22.460 5.617 ( 23.340 3.661 14.253) 27.591 6.317 ( 10.492 2.221 -19.703) 22.433 6.877 ( -21.362 10.877 11.113) 26.422 7.365 ( -37.012 -5.628 -5.947) 37.907 7.609 ( -26.791 10.041 4.360) 28.941 7.865 ( -8.662 11.091 -7.207) 15.811 8.309 ( 6.227 -2.244 -0.170) 6.622 8.604 ( 4.394 2.121 -7.991) 9.363 8.751 ( 2.260 -7.843 19.904) 21.512 9.203 ( 4.374 1.125 -1.027) 4.632 9.495 ( 2.495 4.595 5.488) 7.580 9.732 ( 3.484 -3.719 -3.206) 6.021 9.952 ( 10.540 -14.771 1.053) 18.177 10.281 ( -4.189 -0.766 -5.052) 6.607 10.482 ( 5.973 6.492 6.405) 10.902 11.075 ( 9.150 -4.613 -7.483) 12.689 11.309 ( -13.317 -7.010 -2.693) 15.289 11.600 ( -14.958 6.222 -1.642) 16.284 11.748 ( -4.766 2.085 3.440) 6.237 12.045 ( -7.587 -0.440 -3.013) 8.175 12.609 ( -11.779 -4.117 3.122) 12.862 12.671 ( -7.224 -0.485 1.295) 7.355 12.966 ( -5.036 13.855 2.897) 15.024 13.150 ( -11.065 3.304 -3.406) 12.040 13.487 ( -8.646 8.525 -5.146) 13.187 13.565 ( -5.950 1.376 -8.272) 10.282 14.029 ( 2.127 -1.516 6.161) 6.692 14.315 ( -0.234 -8.029 -8.677) 11.825 14.637 ( 8.703 1.240 1.843) 8.982 14.900 ( 9.820 7.997 -7.449) 14.692 15.248 ( 14.082 -4.135 1.923) 14.802 15.411 ( 14.814 -10.930 -5.598) 19.242 16.196 ( 8.838 -0.047 5.866) 10.608 16.384 ( 7.921 -2.784 -2.011) 8.634 16.827 ( -2.102 3.311 -2.181) 4.487 16.994 ( 3.408 -5.868 -5.227) 8.565 17.289 ( 5.438 1.196 5.044) 7.513 17.434 ( -2.316 -0.182 0.572) 2.392 17.838 ( -6.300 1.478 6.994) 9.529 18.111 ( 3.575 -0.860 -5.303) 6.453 20.099 ( 4.050 3.236 -0.037) 5.184 20.165 ( 5.556 -0.891 -3.043) 6.397 20.992 ( -9.931 -2.071 7.597) 12.674 21.134 ( -3.275 -0.072 -0.789) 3.369 21.849 ( 1.528 -0.117 9.517) 9.639 22.087 ( 3.850 -1.604 -2.642) 4.937 22.664 ( 0.222 -0.556 14.941) 14.953 23.388 ( 1.925 2.333 -18.257) 18.506======================= Grid point 255 (83/125) =======================q-point: ( 0.33 0.11 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.268 ( 20.973 -9.588 18.467) 29.544 3.408 ( 19.089 -12.830 21.993) 31.823 3.997 ( 12.525 -2.629 -16.254) 20.688 4.295 ( 4.006 -4.216 -15.869) 16.901 5.021 ( 5.161 3.678 21.707) 22.613 5.333 ( 9.298 -6.049 16.562) 19.934 5.851 ( 17.274 7.961 7.662) 20.506 6.313 ( -7.866 13.646 6.260) 16.949 6.521 ( 1.872 6.139 -1.477) 6.586 6.953 ( -29.386 -6.975 -3.091) 30.360 7.013 ( -27.755 8.331 -2.266) 29.066 7.534 ( -10.086 14.325 -15.031) 23.084 8.477 ( 6.109 -5.549 1.067) 8.322 8.697 ( 4.807 -5.640 -8.591) 11.345 8.881 ( 8.843 3.649 18.349) 20.693 9.126 ( 1.431 8.194 3.017) 8.848 9.566 ( 1.896 -4.701 11.006) 12.117 9.944 ( 0.719 -15.868 -0.972) 15.914 10.126 ( -9.628 -2.379 0.707) 9.943 10.338 ( 9.066 -7.139 -6.786) 13.387 10.439 ( 3.458 2.016 20.973) 21.352 10.947 ( -13.259 6.483 5.906) 15.897 11.324 ( -13.058 -1.946 1.267) 13.263 11.523 ( 8.821 -7.960 -25.256) 27.911 11.715 ( 1.426 -0.759 -4.345) 4.635 11.944 ( -7.010 -0.646 -8.273) 10.863 12.413 ( -14.753 3.479 10.279) 18.314 12.651 ( -3.839 -1.518 1.731) 4.477 12.753 ( 0.932 5.572 0.259) 5.656 12.883 ( -12.485 7.874 -5.901) 15.897 13.211 ( -9.257 9.105 -3.509) 13.450 13.469 ( -5.178 1.251 -12.828) 13.891 14.111 ( 5.899 -0.031 8.946) 10.716 14.439 ( 0.253 -7.498 -6.843) 10.154 14.708 ( 3.724 -0.173 1.672) 4.086 14.889 ( 6.796 8.076 -5.690) 11.991 15.513 ( 12.428 -4.260 1.851) 13.268 15.751 ( 11.738 -5.929 -8.243) 15.521 16.321 ( 8.079 -0.117 3.705) 8.889 16.487 ( 2.709 -1.157 -4.270) 5.187 16.772 ( -1.080 0.877 6.472) 6.620 17.134 ( 2.906 -4.529 -6.746) 8.629 17.264 ( -1.381 2.940 5.591) 6.466 17.427 ( -2.498 -1.835 -3.698) 4.825 17.753 ( -2.867 0.447 10.783) 11.167 18.168 ( 2.139 -0.747 -7.788) 8.111 20.086 ( 1.973 3.913 2.800) 5.200 20.249 ( 4.482 0.224 -4.565) 6.401 20.935 ( -2.757 -2.585 6.845) 7.819 21.098 ( -1.787 -0.369 -1.480) 2.350 21.876 ( 1.675 -0.270 13.039) 13.149 22.168 ( 4.228 -0.897 -0.899) 4.415 22.702 ( 2.206 -2.343 10.315) 10.805 23.339 ( -1.189 4.543 -17.025) 17.661======================= Grid point 256 (84/125) =======================q-point: ( 0.44 0.11 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.684 ( 16.086 -8.168 14.933) 23.419 3.804 ( 12.169 -4.904 16.157) 20.813 4.246 ( 13.454 -2.424 -7.357) 15.525 4.335 ( 0.267 3.960 -3.717) 5.437 4.994 ( -1.792 -0.008 19.759) 19.840 5.478 ( 0.805 -2.829 5.148) 5.929 5.662 ( -21.180 8.522 9.127) 24.587 5.985 ( -8.543 11.171 10.164) 17.352 6.337 ( -13.124 7.971 -13.114) 20.193 6.838 ( 8.249 -7.774 0.100) 11.335 6.864 ( 0.524 2.593 -6.616) 7.126 7.290 ( 4.038 3.749 -16.177) 17.090 8.558 ( -2.018 1.786 10.055) 10.410 8.810 ( -0.395 -0.596 0.383) 0.811 8.885 ( 4.920 5.508 6.241) 9.670 9.157 ( 11.543 -0.855 -4.222) 12.321 9.595 ( -6.204 -2.295 14.711) 16.129 9.955 ( -12.641 -11.709 11.693) 20.824 10.299 ( 3.425 -3.443 -4.830) 6.849 10.412 ( 5.750 -9.921 11.362) 16.142 10.629 ( 0.738 10.352 15.194) 18.400 10.680 ( 1.644 -6.703 0.806) 6.948 11.264 ( -9.543 -7.966 -1.237) 12.492 11.589 ( -3.115 1.571 -14.087) 14.513 11.795 ( 3.798 1.899 -16.394) 16.935 11.890 ( -2.122 -0.627 -11.623) 11.831 12.217 ( -6.610 -4.128 4.604) 9.051 12.578 ( -6.277 8.760 -2.515) 11.066 12.620 ( -8.868 -3.529 0.820) 9.580 12.783 ( 3.893 -1.852 -0.730) 4.373 12.979 ( -7.552 4.912 -1.260) 9.096 13.388 ( -4.552 -0.243 -15.053) 15.728 14.173 ( 8.175 5.204 10.035) 13.951 14.536 ( -0.777 -5.563 -5.088) 7.579 14.760 ( 1.009 -1.972 0.488) 2.268 14.855 ( 6.045 8.465 -5.264) 11.658 15.697 ( 6.453 -1.207 -0.431) 6.579 15.882 ( 2.060 1.621 -8.260) 8.666 16.416 ( 4.469 -0.074 4.463) 6.316 16.554 ( 5.598 -0.355 -2.399) 6.101 16.727 ( -3.376 1.455 8.271) 9.051 17.119 ( -3.318 1.633 -4.138) 5.549 17.306 ( 2.692 -2.955 1.718) 4.351 17.394 ( -4.729 -1.968 -4.920) 7.102 17.732 ( -1.061 -0.428 11.205) 11.263 18.185 ( -0.797 -0.206 -8.501) 8.541 20.043 ( -0.244 3.106 4.494) 5.468 20.266 ( -0.648 1.311 -5.418) 5.611 20.989 ( 5.790 -1.279 4.448) 7.413 21.106 ( 2.397 -0.434 -0.879) 2.590 21.896 ( 0.412 -0.026 17.024) 17.029 22.227 ( 4.239 1.048 1.381) 4.580 22.790 ( 3.510 -3.104 3.531) 5.867 23.229 ( -3.601 4.764 -14.491) 15.673======================= Grid point 257 (85/125) =======================q-point: (-0.44 0.11 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.758 ( -2.453 17.017 12.532) 21.276 3.875 ( 0.724 7.041 14.540) 16.171 4.146 ( -6.677 9.663 0.955) 11.784 4.441 ( 10.092 2.149 -4.584) 11.291 4.973 ( -6.016 -1.579 16.354) 17.497 5.274 ( -23.404 -2.047 9.281) 25.260 5.485 ( -3.671 -2.159 1.878) 4.655 5.785 ( -1.260 -1.018 13.582) 13.678 6.157 ( -8.166 -5.038 -15.960) 18.622 6.784 ( 3.403 4.022 -12.730) 13.778 7.226 ( 19.986 -9.672 2.900) 22.392 7.536 ( 17.659 -8.267 -9.585) 21.727 8.415 ( -6.739 4.025 13.568) 15.675 8.725 ( -1.566 5.735 5.063) 7.809 8.871 ( -0.293 4.817 -0.881) 4.906 9.263 ( 6.018 8.125 -15.149) 18.214 9.613 ( 0.109 -8.740 16.286) 18.483 10.010 ( -8.437 -12.521 24.595) 28.859 10.217 ( -6.614 7.424 -3.555) 10.560 10.556 ( 7.637 -0.376 17.011) 18.650 10.659 ( 4.956 -1.837 4.427) 6.894 10.888 ( 11.457 -4.549 1.246) 12.390 11.241 ( -9.765 -7.955 -4.724) 13.452 11.477 ( -8.607 0.926 -11.184) 14.143 11.774 ( -1.693 -2.057 -8.906) 9.296 11.904 ( 5.655 1.477 -15.976) 17.012 12.308 ( -1.801 -8.212 -4.547) 9.558 12.373 ( -5.717 0.953 -5.891) 8.264 12.625 ( -1.406 -4.616 8.846) 10.077 12.839 ( -6.909 -1.640 3.391) 7.869 12.918 ( 4.555 -5.931 -4.988) 8.989 13.363 ( -1.653 -3.027 -15.046) 15.436 14.196 ( 8.799 7.390 9.494) 14.906 14.583 ( -1.892 -3.173 -4.595) 5.895 14.777 ( 0.124 2.297 -1.083) 2.543 14.814 ( 5.785 6.796 -3.870) 9.728 15.688 ( -4.259 5.809 -1.205) 7.304 15.830 ( -1.939 2.864 -7.295) 8.074 16.406 ( -1.536 5.202 5.011) 7.385 16.565 ( -1.884 4.197 -2.387) 5.183 16.730 ( 4.123 -3.042 6.001) 7.891 17.078 ( -2.050 -1.615 -3.776) 4.590 17.294 ( -4.022 1.435 0.762) 4.338 17.416 ( -0.291 -3.120 -3.895) 4.999 17.729 ( -0.468 -1.071 11.136) 11.197 18.155 ( -3.061 0.271 -7.849) 8.429 19.993 ( -1.733 1.475 4.268) 4.836 20.204 ( -4.043 1.739 -4.996) 6.658 21.110 ( 8.160 -0.148 2.787) 8.624 21.184 ( 9.494 1.340 -0.233) 9.591 21.882 ( -1.932 0.383 19.167) 19.268 22.254 ( 3.285 2.837 1.719) 4.669 22.856 ( 2.577 1.880 0.112) 3.192 23.131 ( -3.843 -0.718 -12.271) 12.879======================= Grid point 258 (86/125) =======================q-point: (-0.33 0.11 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.338 ( -8.314 24.540 15.420) 30.152 3.493 ( -14.729 20.590 21.908) 33.479 3.950 ( -2.034 8.515 -12.365) 15.150 4.410 ( -4.219 8.745 -17.123) 19.684 4.889 ( -2.707 1.574 20.344) 20.583 5.087 ( -11.559 -3.683 14.902) 19.215 5.373 ( -7.467 4.754 10.881) 14.026 5.929 ( -2.789 -10.640 -5.876) 12.471 6.278 ( 7.640 -14.489 4.387) 16.957 6.946 ( 9.430 -13.248 -10.537) 19.377 7.576 ( 2.939 -11.143 8.432) 14.280 7.894 ( 12.797 -7.947 -5.353) 15.986 8.380 ( 5.558 -2.658 5.772) 8.443 8.640 ( -0.857 2.531 1.520) 3.074 8.747 ( -0.232 7.685 1.449) 7.824 9.181 ( 8.439 13.758 -16.922) 23.385 9.657 ( -4.557 4.592 11.830) 13.483 9.978 ( -12.452 -2.051 8.318) 15.114 10.084 ( -2.689 -1.821 20.072) 20.333 10.583 ( 2.434 13.184 4.208) 14.051 10.734 ( 11.113 1.732 6.735) 13.109 11.090 ( 3.654 -5.419 -8.189) 10.477 11.201 ( -14.534 -4.096 -2.092) 15.245 11.427 ( 5.114 -6.241 -16.393) 18.271 11.886 ( -0.625 -13.842 -2.396) 14.062 11.999 ( 10.572 1.143 -12.709) 16.571 12.306 ( -0.991 -4.089 1.546) 4.482 12.458 ( -1.642 -9.108 -2.673) 9.633 12.708 ( -2.824 -7.800 4.547) 9.460 12.802 ( -4.575 -6.819 3.912) 9.096 13.092 ( 0.111 -10.781 -3.037) 11.201 13.455 ( 5.551 -5.607 -12.113) 14.456 14.204 ( 7.234 6.745 7.370) 12.334 14.583 ( -2.019 -0.732 -5.208) 5.633 14.707 ( 4.503 9.940 -1.653) 11.037 14.809 ( 4.347 4.113 -3.037) 6.711 15.453 ( -11.328 8.346 1.608) 14.162 15.704 ( -6.484 7.347 -8.947) 13.270 16.256 ( -4.467 7.085 2.517) 8.746 16.446 ( -5.560 3.746 -4.237) 7.931 16.824 ( 4.406 0.372 3.819) 5.842 17.098 ( -1.435 -3.339 -2.039) 4.168 17.198 ( -4.113 3.011 3.096) 5.964 17.431 ( -1.468 -0.920 -3.744) 4.125 17.766 ( 1.397 -2.964 9.975) 10.499 18.101 ( -3.217 0.422 -6.039) 6.855 19.953 ( -2.344 -0.091 3.086) 3.877 20.119 ( -3.957 1.347 -4.192) 5.920 21.212 ( 6.943 0.853 3.251) 7.714 21.319 ( 13.430 3.535 -1.293) 13.948 21.835 ( -3.642 0.178 18.493) 18.849 22.225 ( 0.270 4.507 0.226) 4.521 22.804 ( 0.612 5.961 2.480) 6.485 23.150 ( -2.096 -5.636 -11.774) 13.221======================= Grid point 259 (87/125) =======================q-point: (-0.22 0.11 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.871 ( -4.609 21.240 23.069) 31.695 2.992 ( -11.953 18.462 28.526) 36.020 3.875 ( 5.087 3.562 -21.871) 22.736 4.155 ( -10.031 7.746 -21.468) 24.930 4.762 ( -3.175 12.571 25.680) 28.768 4.998 ( -4.033 0.861 20.685) 21.092 5.207 ( -5.227 3.397 11.802) 13.347 5.980 ( -4.148 -5.891 -17.513) 18.938 6.726 ( 9.976 -22.902 15.131) 29.205 7.380 ( 8.477 -23.809 -9.970) 27.168 7.674 ( -7.559 -11.010 15.760) 20.658 8.117 ( 2.146 -5.208 -5.758) 8.055 8.517 ( 12.539 6.245 1.304) 14.069 8.627 ( 1.833 1.429 3.114) 3.885 8.739 ( -1.489 -10.296 -0.409) 10.411 9.108 ( 12.254 17.434 -22.490) 30.982 9.402 ( -11.371 7.981 11.211) 17.851 9.848 ( -2.854 4.753 15.340) 16.311 10.047 ( -5.017 -1.471 4.030) 6.601 10.370 ( 1.453 16.653 5.889) 17.724 10.779 ( 5.738 8.205 -4.974) 11.180 10.900 ( -12.873 9.743 -8.817) 18.395 11.309 ( -0.765 -15.187 -0.405) 15.211 11.691 ( 9.251 -8.636 -10.768) 16.617 12.074 ( 6.518 -3.039 -2.440) 7.594 12.171 ( 6.508 -4.619 -5.212) 9.532 12.450 ( 0.710 -16.082 7.561) 17.785 12.594 ( 0.921 -9.942 3.076) 10.448 12.754 ( -3.647 -9.852 0.081) 10.506 12.923 ( -6.735 -15.358 -3.065) 17.048 13.258 ( 0.329 -11.852 4.046) 12.528 13.647 ( 6.672 -5.740 -8.594) 12.301 14.185 ( 3.233 6.104 4.490) 8.238 14.543 ( -1.467 3.438 -8.929) 9.680 14.619 ( 7.032 12.634 2.007) 14.597 14.814 ( 7.128 6.475 -5.031) 10.865 15.156 ( -12.864 6.228 3.219) 14.651 15.433 ( -9.438 11.083 -9.030) 17.130 16.088 ( -3.714 6.960 0.888) 7.939 16.305 ( -4.970 4.700 -4.938) 8.437 16.836 ( 1.142 3.028 1.640) 3.628 17.107 ( -1.833 2.533 5.094) 5.977 17.109 ( -1.596 -0.558 -1.370) 2.176 17.424 ( -0.824 -0.623 -3.112) 3.279 17.847 ( 1.416 -4.511 7.775) 9.099 18.062 ( -1.393 0.094 -3.483) 3.753 19.931 ( -1.915 -1.173 1.967) 2.985 20.062 ( -1.996 0.379 -3.837) 4.342 21.274 ( 4.554 2.194 3.713) 6.272 21.433 ( 9.957 4.165 -3.122) 11.236 21.788 ( -2.987 -0.736 16.013) 16.306 22.136 ( -1.681 5.062 -1.433) 5.523 22.734 ( 0.538 4.020 7.469) 8.499 23.202 ( -1.812 -4.406 -11.911) 12.829======================= Grid point 260 (88/125) =======================q-point: (-0.11 0.11 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.616 ( 0.000 15.048 33.173) 36.426 2.635 ( 0.000 9.393 33.548) 34.838 3.931 ( 0.000 6.367 -24.324) 25.143 3.958 ( -0.000 -1.709 -23.936) 23.997 4.493 ( 0.000 15.612 34.564) 37.926 4.933 ( 0.000 3.014 21.534) 21.744 5.126 ( 0.000 2.584 11.223) 11.517 6.030 ( -0.000 -4.649 -20.322) 20.847 7.171 ( -0.000 -24.217 13.021) 27.495 7.772 ( -0.000 -8.981 16.038) 18.381 7.829 ( -0.000 -25.175 -11.723) 27.771 8.135 ( 0.000 2.194 -4.172) 4.714 8.510 ( 0.000 8.283 -4.443) 9.400 8.639 ( -0.000 -3.113 8.186) 8.758 8.881 ( 0.000 21.012 -22.324) 30.657 8.966 ( -0.000 -16.937 1.037) 16.969 9.238 ( 0.000 1.848 10.768) 10.925 9.748 ( 0.000 7.509 27.402) 28.413 10.055 ( -0.000 -4.516 -18.123) 18.677 10.145 ( 0.000 15.053 8.588) 17.330 10.588 ( 0.000 14.512 -8.924) 17.036 10.671 ( 0.000 10.723 -13.832) 17.501 11.517 ( -0.000 -12.113 2.218) 12.315 11.857 ( -0.000 -3.990 -6.633) 7.740 12.144 ( 0.000 0.524 5.286) 5.312 12.239 ( 0.000 0.801 0.406) 0.898 12.741 ( -0.000 -12.155 10.392) 15.992 12.794 ( -0.000 -21.202 3.691) 21.521 12.984 ( -0.000 -13.981 -6.238) 15.309 13.058 ( -0.000 -15.973 -4.207) 16.518 13.460 ( -0.000 -13.557 3.905) 14.108 13.770 ( -0.000 -3.520 -4.978) 6.096 14.108 ( 0.000 6.244 1.368) 6.392 14.450 ( 0.000 6.974 -11.395) 13.360 14.453 ( 0.000 16.783 2.607) 16.984 14.738 ( 0.000 12.484 -9.149) 15.478 14.998 ( 0.000 0.455 4.836) 4.858 15.207 ( 0.000 7.364 -5.496) 9.189 15.957 ( 0.000 5.803 2.289) 6.238 16.176 ( 0.000 6.720 -3.859) 7.749 16.788 ( 0.000 3.153 -0.221) 3.161 17.074 ( 0.000 2.316 -8.906) 9.202 17.081 ( 0.000 0.266 12.765) 12.767 17.426 ( -0.000 -0.476 -3.364) 3.397 17.929 ( -0.000 -4.647 5.742) 7.387 18.056 ( -0.000 -0.081 -1.425) 1.428 19.938 ( -0.000 -1.702 1.118) 2.036 20.049 ( -0.000 -0.436 -4.083) 4.106 21.270 ( 0.000 2.275 3.730) 4.369 21.453 ( 0.000 3.279 -4.592) 5.643 21.782 ( -0.000 -1.145 12.535) 12.587 22.049 ( 0.000 4.172 -1.913) 4.590 22.697 ( 0.000 1.449 11.346) 11.439 23.235 ( -0.000 -2.160 -11.805) 12.001======================= Grid point 263 (89/125) =======================q-point: ( 0.22 0.22 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.133 ( 18.121 -0.000 25.000) 30.876 3.173 ( 27.201 -0.000 19.139) 33.260 3.991 ( 11.246 -0.000 -18.301) 21.480 4.180 ( 5.502 -0.000 -22.955) 23.605 5.151 ( 4.451 -0.000 17.526) 18.082 5.189 ( 20.111 -0.000 23.859) 31.204 6.025 ( 28.345 -0.000 13.684) 31.475 6.511 ( 9.520 -0.000 -17.853) 20.233 6.590 ( -24.118 0.000 4.244) 24.488 6.723 ( -43.573 0.000 -2.589) 43.650 7.315 ( -25.372 0.000 12.189) 28.148 7.839 ( -8.690 0.000 -10.169) 13.376 8.416 ( 6.951 -0.000 0.044) 6.951 8.530 ( -2.394 0.000 8.746) 9.068 8.861 ( 14.318 -0.000 11.380) 18.289 9.303 ( 7.398 -0.000 -3.501) 8.185 9.440 ( -12.299 0.000 2.949) 12.648 9.808 ( 4.570 -0.000 -11.024) 11.934 9.970 ( 13.823 -0.000 13.447) 19.285 10.192 ( -9.051 0.000 0.521) 9.066 10.597 ( -8.170 0.000 3.874) 9.042 10.957 ( -9.914 0.000 15.067) 18.036 11.246 ( 11.591 -0.000 -25.816) 28.298 11.490 ( -10.336 0.000 -6.763) 12.353 11.639 ( -8.909 0.000 4.325) 9.903 11.949 ( -4.527 0.000 -3.175) 5.530 12.457 ( -7.219 0.000 0.431) 7.232 12.515 ( -9.558 0.000 -0.403) 9.567 13.003 ( -6.200 0.000 1.954) 6.501 13.019 ( -10.137 0.000 2.962) 10.561 13.424 ( -11.177 0.000 -8.292) 13.918 13.470 ( -6.954 0.000 -11.689) 13.601 14.028 ( 1.125 -0.000 4.584) 4.720 14.265 ( 3.075 -0.000 -7.355) 7.971 14.754 ( 5.113 -0.000 7.099) 8.749 15.058 ( 4.972 -0.000 -3.618) 6.149 15.503 ( 16.832 -0.000 -1.485) 16.897 15.555 ( 20.340 -0.000 -7.777) 21.776 16.335 ( 10.546 -0.000 4.591) 11.502 16.463 ( 5.070 -0.000 -1.970) 5.440 16.799 ( -4.219 0.000 1.260) 4.403 17.022 ( 6.224 -0.000 -5.751) 8.474 17.354 ( 0.657 -0.000 1.172) 1.344 17.366 ( -5.837 0.000 2.728) 6.443 17.762 ( -4.893 0.000 9.424) 10.619 18.152 ( 2.763 -0.000 -7.586) 8.074 20.187 ( 2.949 -0.000 -0.778) 3.050 20.227 ( 4.455 -0.000 -1.195) 4.613 20.886 ( -1.617 0.000 8.256) 8.412 21.089 ( -2.648 0.000 -2.095) 3.377 21.875 ( 2.110 -0.000 10.153) 10.370 22.147 ( 5.764 -0.000 -3.797) 6.902 22.673 ( 1.788 -0.000 15.509) 15.612 23.415 ( -0.839 0.000 -18.678) 18.696======================= Grid point 264 (90/125) =======================q-point: ( 0.33 0.22 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.441 ( 18.802 -5.311 19.137) 27.349 3.608 ( 26.199 -4.618 15.651) 30.866 4.176 ( 15.152 -0.155 -13.362) 20.203 4.312 ( 7.208 -4.180 -16.422) 18.415 5.146 ( 1.040 6.267 17.581) 18.694 5.425 ( 9.106 -0.968 11.102) 14.391 5.955 ( -31.420 9.483 1.896) 32.875 6.130 ( -37.438 -0.313 -8.261) 38.339 6.531 ( 21.196 -8.095 9.413) 24.565 6.799 ( 17.104 -2.223 -7.638) 18.864 6.875 ( -16.071 16.164 15.799) 27.734 7.648 ( -4.815 10.610 -9.985) 15.344 8.485 ( 3.908 -2.485 3.123) 5.586 8.615 ( -0.601 -7.707 0.256) 7.735 9.072 ( 12.236 0.664 14.626) 19.081 9.201 ( -2.172 3.545 9.522) 10.390 9.533 ( -0.835 -10.070 0.849) 10.140 9.750 ( -2.837 5.378 -1.680) 6.308 10.003 ( -7.951 1.708 2.346) 8.464 10.289 ( 0.793 -13.553 12.356) 18.357 10.373 ( -9.337 -4.861 -0.787) 10.556 10.940 ( 1.212 5.051 13.588) 14.547 11.147 ( -11.779 2.424 -11.200) 16.433 11.537 ( -4.337 -3.164 -10.539) 11.828 11.610 ( 5.805 -8.048 -12.482) 15.946 11.914 ( 1.635 1.216 -7.625) 7.893 12.290 ( -8.860 4.668 3.964) 10.771 12.476 ( -7.670 -6.445 -3.744) 10.695 12.814 ( -8.753 6.270 4.852) 11.810 12.879 ( -3.977 5.598 0.204) 6.870 13.199 ( -10.534 6.957 -9.208) 15.625 13.376 ( -7.362 -0.899 -13.210) 15.150 14.108 ( 1.701 -6.676 5.592) 8.873 14.347 ( 1.837 -4.707 -6.214) 8.009 14.803 ( 5.749 2.902 8.237) 10.456 15.095 ( 6.532 5.160 -4.496) 9.461 15.698 ( 13.661 2.303 -1.388) 13.923 15.843 ( 10.763 -4.023 -7.580) 13.765 16.465 ( 6.521 3.090 1.949) 7.475 16.525 ( 6.620 -1.046 -0.891) 6.761 16.756 ( -2.346 -0.265 7.014) 7.401 17.123 ( 2.991 -2.220 -7.504) 8.378 17.260 ( -3.526 1.591 4.070) 5.615 17.337 ( -5.267 -1.700 -1.942) 5.866 17.715 ( -2.307 -0.462 10.627) 10.885 18.177 ( 0.197 -0.200 -9.080) 9.084 20.169 ( 0.157 4.402 2.369) 5.002 20.275 ( -0.309 -1.337 -1.750) 2.224 20.951 ( 8.876 -0.743 4.262) 9.875 21.079 ( 1.087 -1.001 -1.321) 1.982 21.898 ( 0.940 0.174 12.973) 13.008 22.235 ( 5.595 -0.337 -3.509) 6.612 22.721 ( 4.065 -0.957 11.867) 12.581 23.363 ( -3.301 2.803 -16.780) 17.329======================= Grid point 265 (91/125) =======================q-point: ( 0.44 0.22 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.792 ( 15.355 -7.040 14.359) 22.170 3.988 ( 17.449 -1.268 11.947) 21.185 4.410 ( 8.272 0.808 -7.581) 11.249 4.453 ( 12.719 0.633 -4.311) 13.444 4.976 ( -8.256 7.594 16.002) 19.542 5.335 ( -31.426 2.567 2.568) 31.635 5.494 ( -3.711 3.522 0.096) 5.117 5.693 ( -26.096 -5.828 -12.663) 29.586 6.397 ( -9.481 18.267 15.856) 25.980 6.978 ( 23.513 -5.350 5.981) 24.844 7.049 ( 14.030 6.037 -5.783) 16.332 7.466 ( 5.205 7.174 -9.755) 13.180 8.539 ( -1.871 0.264 12.012) 12.160 8.759 ( 2.608 -8.067 -1.393) 8.592 8.999 ( -1.839 3.344 8.095) 8.950 9.339 ( 9.597 3.805 3.393) 10.867 9.533 ( -4.949 5.466 5.506) 9.203 9.613 ( -7.315 -10.823 12.323) 17.958 10.086 ( -3.793 -17.820 2.479) 18.387 10.309 ( -3.700 -11.129 12.001) 16.780 10.604 ( -3.547 -3.927 3.500) 6.344 10.736 ( -0.396 0.368 -0.067) 0.545 11.125 ( 1.470 -0.913 0.348) 1.765 11.451 ( -11.726 -3.930 -7.709) 14.573 11.802 ( 3.040 -4.503 -19.632) 20.370 11.944 ( 4.189 5.994 -12.253) 14.269 12.122 ( -2.074 0.538 4.039) 4.572 12.424 ( -9.664 -2.198 -6.946) 12.102 12.605 ( -6.168 4.655 5.926) 9.738 12.815 ( 1.428 0.354 -0.816) 1.682 12.952 ( -8.931 6.526 -6.946) 13.061 13.295 ( -5.795 -1.564 -14.056) 15.284 14.228 ( -0.145 -6.287 5.777) 8.539 14.441 ( 0.238 -5.598 -4.139) 6.966 14.841 ( 7.986 5.051 7.013) 11.768 15.098 ( 8.068 7.974 -5.335) 12.536 15.801 ( 5.071 2.850 -2.134) 6.196 15.933 ( 0.639 2.504 -7.134) 7.588 16.497 ( 5.159 1.564 6.559) 8.490 16.649 ( 4.991 -1.179 2.937) 5.910 16.695 ( -3.076 2.713 3.178) 5.188 17.097 ( -2.658 2.198 -6.598) 7.446 17.283 ( -4.441 -2.798 -1.603) 5.488 17.301 ( 2.464 -2.312 0.268) 3.389 17.696 ( -2.218 -1.126 10.107) 10.408 18.162 ( -2.190 0.235 -9.302) 9.559 20.085 ( -1.929 4.196 4.028) 6.128 20.251 ( -3.407 0.664 -3.037) 4.612 21.099 ( 8.903 -0.178 2.972) 9.387 21.188 ( 12.279 -1.136 -1.223) 12.392 21.888 ( -2.232 0.114 16.441) 16.592 22.304 ( 3.606 0.205 -2.311) 4.288 22.813 ( 5.261 -1.972 5.489) 7.855 23.244 ( -4.524 5.097 -13.284) 14.930======================= Grid point 266 (92/125) =======================q-point: (-0.44 0.22 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.001 ( 3.938 5.882 11.136) 13.196 4.035 ( 1.968 15.349 9.316) 18.063 4.213 ( -7.683 12.225 5.822) 15.568 4.648 ( 5.433 5.507 -11.035) 13.477 4.771 ( -9.303 -3.131 11.253) 14.932 5.006 ( -8.824 -4.042 6.039) 11.431 5.405 ( -5.222 0.883 -0.968) 5.384 5.591 ( -8.490 -11.744 -10.100) 17.664 6.118 ( -0.824 6.730 14.097) 15.643 6.971 ( 4.449 12.190 -11.666) 17.449 7.321 ( 10.294 -4.840 7.248) 13.488 7.622 ( 10.222 -5.006 -4.957) 12.414 8.449 ( 0.839 5.362 14.605) 15.581 8.823 ( 2.059 4.397 -0.007) 4.855 8.997 ( 5.795 5.476 6.450) 10.256 9.394 ( 0.846 -3.982 -5.737) 7.035 9.450 ( -2.814 -7.805 11.315) 14.031 9.776 ( 3.328 -7.459 15.374) 17.409 10.188 ( -10.261 1.899 -1.731) 10.578 10.395 ( -7.937 -15.536 10.235) 20.226 10.614 ( 2.934 -15.462 13.198) 20.539 10.956 ( 8.624 -6.688 -4.717) 11.890 11.096 ( -4.895 1.831 1.876) 5.553 11.349 ( -6.952 -0.471 -6.460) 9.502 11.788 ( -0.454 5.942 -12.597) 13.935 11.920 ( 0.508 -4.484 -15.316) 15.967 12.224 ( 6.048 -3.242 -8.269) 10.745 12.291 ( -7.339 0.653 -7.593) 10.581 12.533 ( -3.267 -2.303 7.851) 8.810 12.755 ( -7.477 2.999 -1.164) 8.139 12.872 ( 0.799 -4.048 -3.196) 5.219 13.287 ( -0.861 -4.688 -13.861) 14.658 14.280 ( -2.536 -3.371 6.464) 7.719 14.521 ( 0.047 -4.487 -4.105) 6.082 14.878 ( 10.071 6.948 5.644) 13.474 15.088 ( 9.160 9.527 -5.306) 14.242 15.695 ( -8.874 7.161 -0.301) 11.407 15.880 ( 0.775 5.035 -7.268) 8.876 16.476 ( -1.960 6.387 6.169) 9.093 16.561 ( -5.434 2.857 1.897) 6.426 16.781 ( 6.941 -2.696 1.178) 7.539 17.054 ( 0.703 1.431 -5.199) 5.438 17.238 ( -4.288 -0.199 0.631) 4.339 17.372 ( 0.404 -2.604 -2.362) 3.539 17.694 ( -1.058 -2.055 9.951) 10.216 18.115 ( -3.008 0.619 -8.268) 8.820 20.000 ( -2.091 3.009 3.792) 5.273 20.176 ( -3.790 1.911 -3.734) 5.653 21.229 ( 9.311 0.142 4.988) 10.564 21.400 ( 15.914 1.498 -3.352) 16.332 21.833 ( -5.349 -0.278 18.828) 19.575 22.322 ( 0.061 1.230 -1.994) 2.344 22.915 ( 4.470 -1.512 0.290) 4.727 23.098 ( -4.102 5.055 -8.981) 11.092======================= Grid point 267 (93/125) =======================q-point: (-0.33 0.22 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.614 ( -11.532 21.465 16.678) 29.528 3.676 ( -2.093 27.529 13.005) 30.518 4.095 ( 3.185 8.527 -7.046) 11.510 4.399 ( -13.470 6.326 -14.783) 20.976 4.905 ( 9.927 -2.370 10.716) 14.798 5.027 ( 0.743 0.401 12.180) 12.209 5.275 ( -10.315 0.614 6.716) 12.324 5.722 ( -2.515 -11.847 -13.522) 18.153 6.186 ( 5.228 -9.962 15.786) 19.385 6.956 ( 6.590 -0.941 -10.712) 12.612 7.409 ( -5.005 -4.725 11.146) 13.100 7.795 ( -0.394 -9.063 -5.562) 10.641 8.489 ( 8.952 0.449 9.532) 13.085 8.770 ( 3.009 5.983 -2.835) 7.272 8.944 ( 6.546 12.138 9.177) 16.564 9.422 ( 2.743 3.460 4.971) 6.649 9.638 ( -1.128 -12.416 8.979) 15.364 9.793 ( -1.873 6.533 2.497) 7.240 10.019 ( -6.480 -0.838 6.077) 8.923 10.621 ( -2.726 -22.414 -4.383) 23.000 10.787 ( 1.196 2.457 10.376) 10.730 10.984 ( -4.884 1.062 2.605) 5.636 11.092 ( -0.204 2.726 -2.727) 3.861 11.388 ( 5.329 -15.049 1.599) 16.045 11.732 ( -0.207 1.925 -18.482) 18.583 12.052 ( 2.307 -10.210 -17.910) 20.744 12.239 ( -1.711 -3.069 -3.397) 4.888 12.347 ( 3.783 -3.570 -5.739) 7.746 12.524 ( -5.915 -3.832 3.005) 7.662 12.656 ( -5.455 -2.495 3.110) 6.756 12.960 ( 0.331 -7.127 2.188) 7.462 13.416 ( 3.371 -8.499 -12.591) 15.560 14.276 ( -2.347 -1.365 6.741) 7.267 14.571 ( 0.051 -1.883 -5.772) 6.071 14.924 ( 12.705 8.441 4.062) 15.785 15.069 ( 8.781 10.074 -3.851) 13.908 15.392 ( -14.884 8.877 3.235) 17.629 15.754 ( -3.567 9.537 -10.841) 14.873 16.320 ( -2.763 7.626 1.762) 8.300 16.435 ( -4.141 4.227 -1.670) 6.148 16.898 ( 4.352 -0.331 1.566) 4.637 17.066 ( 2.002 -0.370 0.222) 2.048 17.166 ( -4.322 1.093 1.598) 4.736 17.395 ( -0.921 -1.437 -3.414) 3.816 17.730 ( 0.308 -3.186 9.371) 9.902 18.069 ( -1.969 0.490 -6.369) 6.685 19.938 ( -1.410 1.722 3.073) 3.794 20.101 ( -2.174 1.986 -3.890) 4.878 21.342 ( 7.762 1.970 5.435) 9.679 21.563 ( 11.514 3.925 -4.902) 13.115 21.759 ( -5.661 -1.222 19.961) 20.785 22.269 ( -2.573 2.745 -2.345) 4.433 22.917 ( 0.924 6.989 -0.409) 7.062 23.050 ( -0.785 -4.236 -6.821) 8.068======================= Grid point 268 (94/125) =======================q-point: (-0.22 0.22 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.196 ( 0.000 21.555 22.808) 31.382 3.226 ( 0.000 27.338 18.185) 32.833 4.016 ( 0.000 6.920 -17.592) 18.904 4.167 ( 0.000 7.970 -18.244) 19.909 4.931 ( 0.000 9.900 20.577) 22.835 5.023 ( 0.000 2.072 12.365) 12.538 5.173 ( -0.000 -0.636 11.743) 11.760 5.847 ( -0.000 -7.905 -16.441) 18.243 6.474 ( -0.000 -19.588 17.399) 26.199 7.141 ( -0.000 -15.079 -10.059) 18.126 7.453 ( -0.000 -8.654 14.361) 16.767 7.948 ( -0.000 -12.999 -7.886) 15.204 8.588 ( -0.000 -3.378 6.418) 7.252 8.714 ( 0.000 4.584 -2.236) 5.100 8.817 ( 0.000 12.382 5.846) 13.693 9.354 ( 0.000 4.385 14.823) 15.458 9.553 ( 0.000 19.047 -24.962) 31.399 9.821 ( -0.000 -4.880 34.003) 34.352 9.968 ( -0.000 -2.082 -11.826) 12.008 10.625 ( 0.000 14.749 9.158) 17.361 10.919 ( 0.000 3.176 0.711) 3.254 10.962 ( 0.000 9.212 -0.368) 9.220 10.994 ( -0.000 -22.607 -6.568) 23.541 11.687 ( -0.000 -1.150 -19.833) 19.866 11.828 ( -0.000 -26.461 4.096) 26.776 12.202 ( -0.000 -3.246 -16.297) 16.617 12.311 ( -0.000 -5.799 2.967) 6.514 12.502 ( -0.000 -4.133 6.599) 7.787 12.512 ( -0.000 -14.155 -5.780) 15.290 12.677 ( -0.000 -6.675 0.136) 6.676 13.100 ( -0.000 -10.161 7.522) 12.642 13.583 ( -0.000 -8.630 -10.820) 13.840 14.262 ( 0.000 1.494 5.745) 5.936 14.575 ( 0.000 1.613 -7.068) 7.250 14.908 ( 0.000 12.678 0.060) 12.678 15.055 ( 0.000 8.684 -5.971) 10.539 15.063 ( 0.000 5.633 9.628) 11.155 15.534 ( 0.000 12.563 -12.439) 17.679 16.182 ( 0.000 8.027 -0.237) 8.030 16.337 ( 0.000 4.335 -4.019) 5.911 16.901 ( 0.000 3.214 1.486) 3.541 17.094 ( 0.000 0.526 11.234) 11.246 17.114 ( -0.000 -0.066 -6.665) 6.665 17.405 ( -0.000 -0.971 -3.372) 3.509 17.790 ( -0.000 -4.051 8.674) 9.573 18.051 ( 0.000 0.006 -4.469) 4.469 19.911 ( 0.000 0.347 2.520) 2.543 20.060 ( 0.000 1.281 -3.911) 4.115 21.359 ( 0.000 3.313 4.644) 5.704 21.582 ( 0.000 4.796 -5.501) 7.298 21.739 ( -0.000 -1.785 19.481) 19.563 22.192 ( 0.000 4.327 -2.055) 4.791 22.817 ( 0.000 6.263 3.413) 7.133 23.119 ( -0.000 -4.941 -8.863) 10.147======================= Grid point 273 (95/125) =======================q-point: ( 0.33 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.660 ( 17.158 -0.000 14.905) 22.728 3.940 ( 22.453 -0.000 10.826) 24.927 4.383 ( 9.241 -0.000 -14.426) 17.132 4.419 ( 17.139 -0.000 -7.062) 18.537 5.197 ( -4.932 0.000 15.168) 15.949 5.459 ( -17.678 0.000 1.697) 17.759 5.471 ( -36.470 0.000 -4.868) 36.793 5.590 ( -17.592 0.000 -5.407) 18.404 6.806 ( -9.657 0.000 25.561) 27.324 6.887 ( 28.743 -0.000 7.052) 29.595 7.118 ( 23.058 -0.000 -5.404) 23.683 7.676 ( -2.634 0.000 -7.302) 7.763 8.450 ( -3.287 0.000 13.159) 13.563 8.584 ( 3.738 -0.000 -6.451) 7.456 9.062 ( -10.128 0.000 14.360) 17.573 9.371 ( 18.193 -0.000 10.615) 21.063 9.417 ( 1.089 -0.000 0.751) 1.323 9.745 ( -12.032 0.000 4.146) 12.726 9.923 ( -24.378 0.000 13.372) 27.805 10.015 ( 3.086 -0.000 -11.836) 12.231 10.293 ( 5.571 -0.000 9.236) 10.786 10.891 ( -22.695 0.000 -9.481) 24.596 11.085 ( 7.810 -0.000 13.158) 15.302 11.370 ( -9.986 0.000 -1.518) 10.101 11.722 ( 10.659 -0.000 -22.487) 24.885 11.994 ( 8.848 -0.000 -12.360) 15.201 12.264 ( -6.069 0.000 -1.191) 6.185 12.301 ( -5.431 0.000 -2.390) 5.934 12.711 ( -10.811 0.000 6.995) 12.876 12.872 ( -3.167 0.000 1.672) 3.581 13.099 ( -11.209 0.000 -14.386) 18.237 13.258 ( -7.078 0.000 -13.531) 15.270 14.063 ( 0.925 -0.000 6.718) 6.781 14.333 ( 0.584 -0.000 -5.894) 5.923 14.940 ( 9.826 -0.000 10.084) 14.080 15.226 ( 6.526 -0.000 -4.224) 7.774 15.882 ( 5.566 -0.000 -3.856) 6.771 15.934 ( 7.488 -0.000 -5.901) 9.534 16.537 ( 3.826 -0.000 4.833) 6.164 16.666 ( 8.539 -0.000 0.673) 8.566 16.693 ( -5.546 0.000 8.171) 9.876 17.141 ( 0.770 -0.000 -10.713) 10.741 17.217 ( -2.997 0.000 3.120) 4.326 17.279 ( 0.107 -0.000 -0.528) 0.538 17.674 ( -2.886 0.000 9.692) 10.113 18.166 ( -1.494 0.000 -10.273) 10.381 20.209 ( -3.890 0.000 2.541) 4.647 20.213 ( -1.639 0.000 0.298) 1.666 21.113 ( 5.609 -0.000 1.400) 5.781 21.143 ( 16.896 -0.000 -0.798) 16.915 21.890 ( -2.552 0.000 14.163) 14.391 22.296 ( 2.745 -0.000 -5.371) 6.032 22.788 ( 6.070 -0.000 10.333) 11.984 23.332 ( -3.950 0.000 -14.462) 14.992======================= Grid point 274 (96/125) =======================q-point: ( 0.44 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.913 ( 13.146 -4.006 10.443) 17.260 4.183 ( 9.865 -0.469 3.923) 10.626 4.513 ( 2.600 1.660 -5.022) 5.894 4.675 ( 17.062 -1.307 -2.720) 17.327 4.870 ( -31.903 -0.463 -2.387) 31.996 4.966 ( -11.432 8.730 3.541) 14.814 5.306 ( -10.049 -5.713 -0.458) 11.568 5.499 ( -4.634 2.842 -2.614) 6.032 6.559 ( -5.692 15.522 26.115) 30.908 7.260 ( 19.910 0.313 3.452) 20.210 7.388 ( 16.170 7.577 -3.206) 18.143 7.610 ( 2.829 3.791 -5.165) 7.004 8.482 ( 0.222 -7.354 13.828) 15.663 8.666 ( 1.587 -4.743 -1.445) 5.206 8.953 ( -4.919 -3.758 9.920) 11.693 9.383 ( -8.142 6.723 0.568) 10.574 9.539 ( -1.832 1.811 16.130) 16.334 9.632 ( 9.183 -1.157 3.633) 9.943 9.743 ( -6.075 -11.262 4.361) 13.519 10.099 ( 0.902 -8.243 7.332) 11.069 10.435 ( -10.534 -3.670 1.140) 11.213 10.582 ( -10.521 -9.671 -6.807) 15.829 11.161 ( -2.063 1.395 -2.500) 3.529 11.271 ( -1.944 -2.753 9.751) 10.317 11.837 ( 5.309 0.007 -20.194) 20.880 12.096 ( -1.958 8.813 -3.207) 9.580 12.167 ( 10.049 -0.935 -13.208) 16.622 12.282 ( -4.592 -2.624 -7.457) 9.142 12.549 ( -8.131 1.798 8.177) 11.671 12.826 ( -1.190 0.669 0.685) 1.527 12.902 ( -10.200 4.444 -14.515) 18.288 13.187 ( -5.032 -2.128 -13.366) 14.439 14.113 ( -0.718 -4.894 6.752) 8.370 14.362 ( -0.613 -3.932 -4.134) 5.738 15.074 ( 12.762 3.932 7.990) 15.561 15.289 ( 6.146 3.405 -4.457) 8.321 15.862 ( -4.586 3.312 -1.285) 5.801 16.005 ( 4.392 2.362 -5.393) 7.346 16.591 ( -4.080 0.766 11.164) 11.911 16.611 ( 3.280 1.559 4.645) 5.896 16.722 ( -0.281 -1.035 0.267) 1.105 17.139 ( 2.737 2.728 -7.472) 8.412 17.209 ( -0.889 -1.571 -1.610) 2.419 17.312 ( 2.344 -0.683 -1.916) 3.104 17.639 ( -2.889 -1.223 9.288) 9.804 18.136 ( -2.152 0.514 -10.590) 10.819 20.112 ( -2.780 3.773 3.158) 5.651 20.198 ( -3.421 -0.900 -0.754) 3.616 21.226 ( 9.892 -0.096 5.089) 11.125 21.410 ( 18.529 -0.414 -4.109) 18.984 21.826 ( -6.435 -0.129 15.511) 16.794 22.306 ( -2.539 -1.157 -6.316) 6.905 22.879 ( 5.785 -0.208 6.805) 8.933 23.256 ( -2.919 3.298 -10.656) 11.530======================= Grid point 275 (97/125) =======================q-point: (-0.44 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 324Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.118 ( 3.722 2.606 6.205) 7.691 4.155 ( -4.885 4.631 4.923) 8.339 4.349 ( 0.018 9.225 0.889) 9.268 4.483 ( -18.691 1.876 -4.037) 19.214 4.915 ( 6.836 1.451 6.107) 9.281 4.945 ( 13.077 -0.539 0.669) 13.105 5.309 ( -6.570 -8.727 -5.652) 12.300 5.351 ( -6.564 1.555 -5.120) 8.469 6.262 ( -1.576 13.898 24.731) 28.412 7.254 ( 3.483 16.524 -14.731) 22.410 7.418 ( 4.250 4.745 11.600) 13.234 7.696 ( 5.114 -0.213 -2.088) 5.527 8.558 ( 3.854 3.400 16.969) 17.731 8.841 ( 5.672 -14.430 7.718) 17.319 9.113 ( 6.503 -5.366 1.861) 8.635 9.150 ( -10.024 -2.212 3.387) 10.810 9.478 ( 2.890 4.435 5.987) 7.991 9.740 ( -0.278 -8.680 4.890) 9.967 9.998 ( -0.513 -6.717 7.878) 10.366 10.111 ( -10.058 -4.046 1.496) 10.944 10.317 ( -4.627 -17.827 11.342) 21.630 10.850 ( 2.088 -19.132 -8.941) 21.221 11.041 ( -5.992 2.417 -5.212) 8.301 11.320 ( 1.584 0.327 12.312) 12.418 11.879 ( 2.401 2.155 -22.737) 22.965 11.927 ( -1.201 7.657 -0.274) 7.755 12.207 ( -4.284 0.319 -6.255) 7.588 12.341 ( 9.977 1.353 -21.614) 23.844 12.461 ( -3.306 -1.033 8.523) 9.200 12.693 ( -8.825 3.939 -7.478) 12.220 12.832 ( -0.096 -1.854 -1.437) 2.347 13.194 ( -1.278 -5.324 -13.417) 14.491 14.164 ( -2.225 -4.599 7.363) 8.962 14.430 ( -0.615 -5.828 -4.028) 7.111 15.182 ( 13.880 6.906 4.362) 16.105 15.303 ( 4.786 5.079 -4.286) 8.190 15.656 ( -11.586 7.592 5.003) 14.727 15.996 ( 2.652 5.914 -7.171) 9.666 16.496 ( -4.301 2.121 5.330) 7.169 16.556 ( -2.903 4.809 2.612) 6.194 16.804 ( 4.264 -4.131 3.443) 6.863 17.128 ( 1.087 2.418 1.488) 3.040 17.210 ( 0.984 2.489 -7.576) 8.035 17.342 ( -0.498 -1.618 -3.454) 3.847 17.640 ( -1.097 -2.715 9.458) 9.901 18.095 ( -1.594 1.082 -9.635) 9.825 20.025 ( -1.466 3.602 3.296) 5.098 20.154 ( -2.219 0.949 -2.221) 3.280 21.379 ( 10.731 0.388 7.410) 13.047 21.650 ( 14.613 1.586 -5.996) 15.875 21.722 ( -8.555 -0.966 17.046) 19.096 22.266 ( -6.007 -2.401 -6.567) 9.219 22.949 ( 3.059 -0.579 3.089) 4.386 23.155 ( -1.121 5.988 -6.638) 9.010======================= Grid point 276 (98/125) =======================q-point: (-0.33 0.33 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.826 ( 0.000 18.106 11.081) 21.228 4.067 ( 0.000 22.829 8.052) 24.207 4.249 ( 0.000 4.492 -1.637) 4.781 4.317 ( 0.000 0.813 -7.029) 7.076 4.970 ( -0.000 -3.732 9.421) 10.133 5.079 ( 0.000 2.951 -2.624) 3.949 5.173 ( 0.000 1.445 6.309) 6.472 5.504 ( -0.000 -14.222 -15.052) 20.708 6.140 ( 0.000 0.880 22.485) 22.502 7.077 ( 0.000 9.687 -14.645) 17.559 7.353 ( 0.000 2.986 14.531) 14.835 7.725 ( -0.000 -0.836 -3.363) 3.465 8.564 ( 0.000 0.790 10.832) 10.860 8.895 ( 0.000 7.931 -1.877) 8.151 9.179 ( 0.000 7.486 10.308) 12.740 9.316 ( -0.000 -23.691 17.770) 29.615 9.469 ( 0.000 2.996 9.564) 10.022 9.900 ( -0.000 -2.283 -8.011) 8.330 9.906 ( -0.000 -4.925 10.849) 11.915 10.232 ( -0.000 -15.251 -12.477) 19.705 10.646 ( -0.000 -22.460 15.980) 27.565 10.963 ( 0.000 1.600 -2.559) 3.017 11.091 ( -0.000 -7.394 -0.420) 7.406 11.299 ( 0.000 1.334 9.454) 9.547 11.832 ( 0.000 5.919 -26.467) 27.121 11.890 ( -0.000 -5.416 -7.706) 9.418 12.179 ( -0.000 -1.785 -6.302) 6.550 12.410 ( 0.000 1.865 -23.462) 23.536 12.445 ( -0.000 -0.572 7.241) 7.263 12.584 ( -0.000 -0.300 4.799) 4.808 12.876 ( -0.000 -4.172 0.811) 4.250 13.301 ( -0.000 -8.732 -13.334) 15.939 14.207 ( -0.000 -3.812 7.787) 8.670 14.511 ( -0.000 -5.133 -5.275) 7.360 15.218 ( 0.000 7.823 -2.102) 8.100 15.273 ( 0.000 5.635 -4.584) 7.264 15.360 ( 0.000 11.759 13.012) 17.539 15.890 ( 0.000 9.896 -10.525) 14.447 16.402 ( 0.000 5.934 2.803) 6.563 16.464 ( 0.000 3.806 0.586) 3.851 16.902 ( -0.000 -3.504 2.526) 4.319 17.112 ( 0.000 0.779 7.806) 7.844 17.153 ( 0.000 4.213 -8.828) 9.781 17.363 ( -0.000 -1.817 -3.827) 4.236 17.682 ( -0.000 -3.330 9.129) 9.717 18.066 ( 0.000 1.001 -7.871) 7.934 19.964 ( 0.000 2.929 3.139) 4.293 20.115 ( 0.000 1.890 -3.252) 3.762 21.455 ( 0.000 2.741 5.586) 6.223 21.667 ( -0.000 -2.827 20.615) 20.808 21.721 ( 0.000 3.994 -6.565) 7.684 22.247 ( -0.000 -1.443 -5.215) 5.411 22.988 ( -0.000 -1.605 -0.453) 1.667 23.046 ( 0.000 6.798 -3.990) 7.883======================= Grid point 283 (99/125) =======================q-point: ( 0.44 0.44 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.045 ( 9.695 -0.000 6.243) 11.531 4.248 ( -0.517 0.000 -4.271) 4.302 4.463 ( -8.046 0.000 -6.704) 10.473 4.467 ( -21.273 0.000 -6.547) 22.258 4.883 ( 12.974 -0.000 2.647) 13.241 5.032 ( 11.540 -0.000 1.672) 11.660 5.192 ( -4.872 0.000 10.265) 11.362 5.424 ( -9.226 0.000 -4.182) 10.130 6.632 ( -2.987 0.000 30.837) 30.981 7.509 ( 12.294 -0.000 2.623) 12.571 7.650 ( -0.403 0.000 -5.113) 5.129 7.663 ( 10.397 -0.000 0.194) 10.399 8.452 ( 6.362 -0.000 6.711) 9.247 8.626 ( 0.013 -0.000 -10.888) 10.888 8.822 ( -8.131 0.000 23.104) 24.493 9.340 ( -13.084 0.000 17.605) 21.934 9.408 ( -1.238 0.000 6.265) 6.386 9.639 ( 9.007 -0.000 0.805) 9.043 9.894 ( 16.076 -0.000 12.995) 20.671 10.098 ( 1.195 -0.000 -11.275) 11.338 10.179 ( -24.610 0.000 -2.466) 24.734 10.305 ( -5.227 0.000 0.887) 5.302 11.084 ( -6.245 0.000 -7.487) 9.749 11.302 ( 4.430 -0.000 17.825) 18.367 11.906 ( 3.419 -0.000 -18.614) 18.926 12.127 ( -3.001 0.000 0.367) 3.024 12.200 ( -1.712 0.000 -2.797) 3.279 12.363 ( 13.251 -0.000 -27.562) 30.582 12.454 ( -5.755 0.000 9.579) 11.175 12.779 ( -10.202 0.000 -13.737) 17.111 12.814 ( -1.790 0.000 -2.486) 3.063 13.110 ( -2.757 0.000 -12.837) 13.130 14.078 ( 0.228 -0.000 7.355) 7.359 14.321 ( -0.606 0.000 -2.983) 3.044 15.291 ( 12.546 -0.000 3.762) 13.098 15.381 ( 3.294 -0.000 -4.016) 5.194 15.786 ( -8.927 0.000 5.891) 10.696 16.087 ( 3.598 -0.000 -4.637) 5.869 16.512 ( -4.482 0.000 5.693) 7.245 16.655 ( -4.638 0.000 -0.494) 4.665 16.722 ( 5.783 -0.000 10.046) 11.592 17.169 ( -1.274 0.000 2.899) 3.166 17.240 ( 5.045 -0.000 -9.735) 10.965 17.336 ( 0.660 -0.000 -6.851) 6.883 17.591 ( -1.914 0.000 9.826) 10.011 18.116 ( -1.244 0.000 -11.365) 11.433 20.114 ( -1.929 0.000 2.678) 3.301 20.143 ( -1.895 0.000 0.035) 1.896 21.380 ( 11.502 -0.000 7.918) 13.964 21.668 ( 16.705 -0.000 -6.450) 17.908 21.707 ( -9.590 0.000 14.515) 17.397 22.212 ( -8.211 0.000 -8.195) 11.601 22.950 ( 3.709 -0.000 6.354) 7.357 23.254 ( -1.090 0.000 -7.958) 8.032======================= Grid point 284 (100/125) =======================q-point: (-0.44 0.44 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 180Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.173 ( -0.000 -3.354 5.377) 6.337 4.179 ( 0.000 4.866 -4.098) 6.362 4.297 ( -0.000 -0.947 -5.873) 5.948 4.418 ( 0.000 0.180 -4.156) 4.160 5.050 ( -0.000 -5.758 -2.543) 6.295 5.054 ( 0.000 7.560 12.499) 14.607 5.204 ( -0.000 -0.537 8.131) 8.149 5.281 ( 0.000 2.000 -10.449) 10.638 6.479 ( 0.000 14.726 29.081) 32.597 7.526 ( 0.000 13.844 -13.673) 19.458 7.554 ( 0.000 6.449 9.557) 11.530 7.737 ( -0.000 -0.053 0.287) 0.292 8.588 ( -0.000 -14.250 3.626) 14.704 8.668 ( 0.000 6.078 24.749) 25.484 8.886 ( -0.000 -23.121 -8.283) 24.560 9.171 ( 0.000 7.524 11.901) 14.080 9.495 ( -0.000 -5.933 6.434) 8.752 9.796 ( 0.000 5.882 16.043) 17.088 9.849 ( -0.000 -0.945 -8.934) 8.984 10.021 ( -0.000 -3.433 0.053) 3.433 10.089 ( -0.000 -4.020 13.912) 14.481 10.513 ( -0.000 -23.574 -12.687) 26.771 11.025 ( 0.000 1.443 -5.685) 5.865 11.341 ( -0.000 -0.306 16.755) 16.758 11.926 ( 0.000 0.886 -20.164) 20.184 12.039 ( 0.000 7.345 1.382) 7.474 12.187 ( 0.000 0.571 -4.391) 4.428 12.417 ( -0.000 -0.768 10.006) 10.035 12.480 ( 0.000 1.843 -34.178) 34.228 12.648 ( 0.000 2.438 -7.276) 7.673 12.810 ( -0.000 -0.841 -0.912) 1.241 13.114 ( -0.000 -3.118 -12.975) 13.344 14.098 ( -0.000 -2.354 7.611) 7.966 14.348 ( -0.000 -3.975 -2.986) 4.971 15.382 ( 0.000 2.852 -3.144) 4.245 15.392 ( 0.000 2.039 -3.566) 4.108 15.650 ( 0.000 5.776 13.781) 14.943 16.092 ( 0.000 3.173 -5.366) 6.234 16.477 ( 0.000 0.280 4.556) 4.565 16.593 ( 0.000 3.114 0.424) 3.142 16.787 ( -0.000 -2.583 8.224) 8.620 17.146 ( 0.000 1.250 3.387) 3.610 17.302 ( -0.000 -1.797 -4.460) 4.809 17.303 ( 0.000 3.687 -12.349) 12.887 17.593 ( -0.000 -1.942 10.122) 10.306 18.100 ( 0.000 0.859 -10.969) 11.003 20.067 ( 0.000 3.265 2.800) 4.301 20.141 ( -0.000 -0.531 -0.674) 0.858 21.514 ( 0.000 1.040 6.153) 6.240 21.592 ( -0.000 -1.575 17.731) 17.801 21.807 ( 0.000 1.511 -7.258) 7.413 22.148 ( -0.000 -3.136 -8.271) 8.846 22.974 ( 0.000 0.374 5.155) 5.169 23.221 ( 0.000 3.359 -6.467) 7.287======================= Grid point 324 (101/125) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 75Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.147 ( 0.000 0.000 -36.341) 36.341 3.147 ( 0.000 0.000 36.341) 36.341 3.365 ( 0.000 0.000 -36.747) 36.747 3.365 ( 0.000 0.000 36.747) 36.747 4.925 ( 0.000 0.000 -24.052) 24.052 4.925 ( 0.000 0.000 24.052) 24.052 5.520 ( 0.000 0.000 -32.117) 32.117 5.520 ( 0.000 0.000 32.117) 32.117 7.862 ( 0.000 0.000 -9.580) 9.580 7.862 ( 0.000 0.000 9.580) 9.580 8.007 ( 0.000 0.000 -2.455) 2.455 8.007 ( 0.000 0.000 2.455) 2.455 8.364 ( 0.000 0.000 -5.956) 5.956 8.364 ( 0.000 0.000 5.956) 5.956 9.267 ( 0.000 0.000 -7.430) 7.430 9.267 ( 0.000 0.000 7.430) 7.430 9.513 ( 0.000 0.000 -38.537) 38.537 9.513 ( 0.000 0.000 38.537) 38.537 10.034 ( 0.000 0.000 -17.877) 17.877 10.034 ( 0.000 0.000 17.877) 17.877 10.084 ( 0.000 0.000 -11.720) 11.720 10.084 ( 0.000 0.000 11.720) 11.720 11.782 ( 0.000 0.000 -4.497) 4.497 11.782 ( 0.000 0.000 4.497) 4.497 12.259 ( 0.000 0.000 -0.112) 0.112 12.259 ( 0.000 0.000 0.112) 0.112 13.175 ( 0.000 0.000 -6.816) 6.816 13.175 ( 0.000 0.000 6.816) 6.816 13.278 ( 0.000 0.000 -9.118) 9.118 13.278 ( 0.000 0.000 9.118) 9.118 13.802 ( 0.000 0.000 -2.067) 2.067 13.802 ( 0.000 0.000 2.067) 2.067 14.037 ( 0.000 0.000 -5.672) 5.672 14.037 ( 0.000 0.000 5.672) 5.672 14.190 ( 0.000 0.000 -6.986) 6.986 14.190 ( 0.000 0.000 6.986) 6.986 15.070 ( 0.000 0.000 -2.992) 2.992 15.070 ( 0.000 0.000 2.992) 2.992 15.974 ( 0.000 0.000 -1.790) 1.790 15.974 ( 0.000 0.000 1.790) 1.790 16.814 ( 0.000 0.000 -8.809) 8.809 16.814 ( 0.000 0.000 8.809) 8.809 17.307 ( 0.000 0.000 -8.760) 8.760 17.307 ( 0.000 0.000 8.760) 8.760 18.054 ( 0.000 0.000 -0.425) 0.425 18.054 ( 0.000 0.000 0.425) 0.425 19.993 ( 0.000 0.000 -1.942) 1.942 19.993 ( 0.000 0.000 1.942) 1.942 21.312 ( 0.000 0.000 -4.163) 4.163 21.312 ( 0.000 0.000 4.163) 4.163 21.919 ( 0.000 0.000 -3.948) 3.948 21.919 ( 0.000 0.000 3.948) 3.948 22.990 ( 0.000 0.000 -14.199) 14.199 22.990 ( 0.000 0.000 14.199) 14.199======================= Grid point 326 (102/125) =======================q-point: ( 0.11 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.179 ( -0.201 -3.101 -33.925) 34.067 3.179 ( -0.201 -3.101 33.925) 34.067 3.387 ( 5.104 -1.527 -35.112) 35.514 3.387 ( 5.104 -1.527 35.112) 35.514 5.032 ( 8.191 -4.271 -20.723) 22.689 5.032 ( 8.191 -4.271 20.723) 22.689 5.548 ( 5.092 0.782 -30.345) 30.780 5.548 ( 5.092 0.782 30.345) 30.780 7.688 ( -11.640 10.416 -16.860) 22.984 7.688 ( -11.640 10.416 16.860) 22.984 8.029 ( 0.284 -1.669 -3.656) 4.029 8.029 ( 0.284 -1.669 3.656) 4.029 8.368 ( -2.892 -1.528 -8.051) 8.690 8.368 ( -2.892 -1.528 8.051) 8.690 9.127 ( 0.990 14.698 -10.604) 18.151 9.127 ( 0.990 14.698 10.604) 18.151 9.534 ( -2.141 -1.850 -18.764) 18.977 9.534 ( -2.141 -1.850 18.764) 18.977 9.998 ( -4.752 -16.214 -5.232) 17.688 9.998 ( -4.752 -16.214 5.232) 17.688 10.374 ( 16.198 -5.684 -7.222) 18.624 10.374 ( 16.198 -5.684 7.222) 18.624 11.724 ( -4.064 4.215 -6.395) 8.671 11.724 ( -4.064 4.215 6.395) 8.671 12.207 ( -6.630 1.624 -2.660) 7.326 12.207 ( -6.630 1.624 2.660) 7.326 12.957 ( -11.798 9.906 -1.506) 15.479 12.957 ( -11.798 9.906 1.506) 15.479 13.206 ( 0.223 7.942 -6.555) 10.300 13.206 ( 0.223 7.942 6.555) 10.300 13.684 ( -5.481 7.842 -4.724) 10.670 13.684 ( -5.481 7.842 4.724) 10.670 14.143 ( 3.391 -3.742 -5.317) 7.333 14.143 ( 3.391 -3.742 5.317) 7.333 14.354 ( 6.134 -12.064 -3.936) 14.095 14.354 ( 6.134 -12.064 3.936) 14.095 15.105 ( 3.739 -2.909 -3.320) 5.785 15.105 ( 3.739 -2.909 3.320) 5.785 16.056 ( 7.692 -2.086 -4.633) 9.219 16.056 ( 7.692 -2.086 4.633) 9.219 16.833 ( -0.020 -2.665 -7.718) 8.165 16.833 ( -0.020 -2.665 7.718) 8.165 17.325 ( 2.463 0.284 -8.260) 8.625 17.325 ( 2.463 0.284 8.260) 8.625 18.033 ( -1.372 1.157 -1.578) 2.390 18.033 ( -1.372 1.157 1.578) 2.390 20.005 ( 2.217 0.607 -1.979) 3.034 20.005 ( 2.217 0.607 1.979) 3.034 21.286 ( -5.022 -1.290 -2.945) 5.963 21.286 ( -5.022 -1.290 2.945) 5.963 21.944 ( 1.475 -1.832 -4.646) 5.207 21.944 ( 1.475 -1.832 4.646) 5.207 22.988 ( 0.581 0.921 -14.998) 15.038 22.988 ( 0.581 0.921 14.998) 15.038======================= Grid point 328 (103/125) =======================q-point: ( 0.22 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.270 ( 5.840 -6.279 -26.349) 27.709 3.270 ( 5.840 -6.279 26.349) 27.709 3.593 ( 9.904 -9.841 -30.630) 33.662 3.593 ( 9.904 -9.841 30.630) 33.662 5.217 ( 8.622 -2.640 -15.511) 17.941 5.217 ( 8.622 -2.640 15.511) 17.941 5.646 ( 10.714 1.487 -25.800) 27.976 5.646 ( 10.714 1.487 25.800) 27.976 7.272 ( -13.426 18.774 -19.926) 30.492 7.272 ( -13.426 18.774 19.926) 30.492 7.938 ( -18.872 2.148 -1.383) 19.044 7.938 ( -18.872 2.148 1.383) 19.044 8.370 ( -0.141 -6.791 -7.593) 10.188 8.370 ( -0.141 -6.791 7.593) 10.188 8.923 ( 4.972 14.872 -9.248) 18.205 8.923 ( 4.972 14.872 9.248) 18.205 9.656 ( 6.007 -10.433 -7.149) 14.001 9.656 ( 6.007 -10.433 7.149) 14.001 10.230 ( -1.335 -15.896 -9.974) 18.814 10.230 ( -1.335 -15.896 9.974) 18.814 10.675 ( 13.150 -6.020 -18.270) 23.301 10.675 ( 13.150 -6.020 18.270) 23.301 11.518 ( -9.771 10.209 -7.761) 16.122 11.518 ( -9.771 10.209 7.761) 16.122 12.019 ( -11.455 3.506 -7.295) 14.025 12.019 ( -11.455 3.506 7.295) 14.025 12.722 ( -1.566 8.062 -3.469) 8.915 12.722 ( -1.566 8.062 3.469) 8.915 13.036 ( -5.630 8.937 -9.341) 14.101 13.036 ( -5.630 8.937 9.341) 14.101 13.458 ( -7.428 8.317 -5.322) 12.356 13.458 ( -7.428 8.317 5.322) 12.356 14.229 ( 0.242 -4.554 -8.699) 9.822 14.229 ( 0.242 -4.554 8.699) 9.822 14.575 ( 5.693 -4.912 -3.073) 8.123 14.575 ( 5.693 -4.912 3.073) 8.123 15.295 ( 9.401 -8.394 -5.168) 13.622 15.295 ( 9.401 -8.394 5.168) 13.622 16.209 ( 8.093 -2.211 -6.679) 10.723 16.209 ( 8.093 -2.211 6.679) 10.723 16.893 ( 1.017 -3.847 -7.654) 8.627 16.893 ( 1.017 -3.847 7.654) 8.627 17.354 ( 2.506 1.039 -6.679) 7.209 17.354 ( 2.506 1.039 6.679) 7.209 17.994 ( -1.088 1.123 -4.976) 5.216 17.994 ( -1.088 1.123 4.976) 5.216 20.037 ( 3.820 0.887 -2.550) 4.677 20.037 ( 3.820 0.887 2.550) 4.677 21.215 ( -7.592 -1.610 -0.844) 7.806 21.215 ( -7.592 -1.610 0.844) 7.806 22.012 ( 1.993 -3.599 -6.082) 7.343 22.012 ( 1.993 -3.599 6.082) 7.343 22.975 ( 0.616 1.869 -15.658) 15.781 22.975 ( 0.616 1.869 15.658) 15.781======================= Grid point 330 (104/125) =======================q-point: ( 0.33 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.556 ( 12.701 -12.240 -17.583) 24.906 3.556 ( 12.701 -12.240 17.583) 24.906 3.914 ( 9.280 -12.315 -23.621) 28.209 3.914 ( 9.280 -12.315 23.621) 28.209 5.343 ( 6.063 -0.214 -14.492) 15.711 5.343 ( 6.063 -0.214 14.492) 15.711 5.783 ( 12.762 3.603 -20.847) 24.707 5.783 ( 12.762 3.603 20.847) 24.707 6.787 ( -8.959 22.269 -20.678) 31.682 6.787 ( -8.959 22.269 20.678) 31.682 7.491 ( -33.637 1.275 -6.996) 34.380 7.491 ( -33.637 1.275 6.996) 34.380 8.563 ( 7.501 -8.614 -6.446) 13.115 8.563 ( 7.501 -8.614 6.446) 13.115 8.837 ( 7.291 8.738 -4.212) 12.135 8.837 ( 7.291 8.738 4.212) 12.135 9.920 ( 6.622 -8.083 -8.749) 13.628 9.920 ( 6.622 -8.083 8.749) 13.628 10.404 ( -5.759 -14.373 -5.821) 16.542 10.404 ( -5.759 -14.373 5.821) 16.542 10.920 ( 10.343 -3.196 -28.067) 30.083 10.920 ( 10.343 -3.196 28.067) 30.083 11.194 ( -9.103 10.705 -13.909) 19.771 11.194 ( -9.103 10.705 13.909) 19.771 11.842 ( -7.368 1.509 -8.319) 11.215 11.842 ( -7.368 1.509 8.319) 11.215 12.577 ( 0.617 13.166 -4.177) 13.826 12.577 ( 0.617 13.166 4.177) 13.826 12.841 ( -8.570 0.146 -6.404) 10.700 12.841 ( -8.570 0.146 6.404) 10.700 13.251 ( -4.235 7.314 -8.060) 11.679 13.251 ( -4.235 7.314 8.060) 11.679 14.286 ( 0.459 -2.183 -12.004) 12.209 14.286 ( 0.459 -2.183 12.004) 12.209 14.693 ( 3.341 -2.746 -2.230) 4.866 14.693 ( 3.341 -2.746 2.230) 4.866 15.553 ( 8.404 -6.718 -6.108) 12.372 15.553 ( 8.404 -6.718 6.108) 12.372 16.347 ( 5.493 -3.225 -5.686) 8.539 16.347 ( 5.493 -3.225 5.686) 8.539 16.953 ( 1.102 -1.061 -9.884) 10.002 16.953 ( 1.102 -1.061 9.884) 10.002 17.360 ( 0.607 0.790 -5.411) 5.502 17.360 ( 0.607 0.790 5.411) 5.502 17.979 ( 0.484 0.300 -8.943) 8.961 17.979 ( 0.484 0.300 8.943) 8.961 20.081 ( 3.894 0.780 -4.179) 5.765 20.081 ( 3.894 0.780 4.179) 5.765 21.130 ( -6.814 -1.214 -1.474) 7.077 21.130 ( -6.814 -1.214 1.474) 7.077 22.099 ( 1.569 -3.959 -7.112) 8.289 22.099 ( 1.569 -3.959 7.112) 8.289 22.950 ( 0.320 2.194 -13.983) 14.158 22.950 ( 0.320 2.194 13.983) 14.158======================= Grid point 332 (105/125) =======================q-point: ( 0.44 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.900 ( 8.424 -8.107 -10.832) 15.938 3.900 ( 8.424 -8.107 10.832) 15.938 4.157 ( 3.088 -5.771 -11.705) 13.410 4.157 ( 3.088 -5.771 11.705) 13.410 5.402 ( 1.965 -0.134 -14.677) 14.809 5.402 ( 1.965 -0.134 14.677) 14.809 5.883 ( 7.736 3.002 -14.569) 16.767 5.883 ( 7.736 3.002 14.569) 16.767 6.408 ( -3.433 12.754 -24.412) 27.756 6.408 ( -3.433 12.754 24.412) 27.756 7.089 ( -18.178 -1.316 -7.987) 19.899 7.089 ( -18.178 -1.316 7.987) 19.899 8.742 ( 4.061 -0.913 -8.257) 9.246 8.742 ( 4.061 -0.913 8.257) 9.246 8.862 ( 4.030 -0.927 -6.485) 7.692 8.862 ( 4.030 -0.927 6.485) 7.692 10.007 ( -0.895 0.082 -12.757) 12.789 10.007 ( -0.895 0.082 12.757) 12.789 10.531 ( -2.145 -8.329 -6.159) 10.578 10.531 ( -2.145 -8.329 6.159) 10.578 10.991 ( 0.364 3.502 -12.168) 12.667 10.991 ( 0.364 3.502 12.168) 12.667 11.065 ( 1.714 -0.254 -19.048) 19.126 11.065 ( 1.714 -0.254 19.048) 19.126 11.765 ( -1.982 0.109 -7.264) 7.530 11.765 ( -1.982 0.109 7.264) 7.530 12.381 ( -2.103 7.173 -5.327) 9.179 12.381 ( -2.103 7.173 5.327) 9.179 12.786 ( -2.369 -1.297 -3.359) 4.310 12.786 ( -2.369 -1.297 3.359) 4.310 13.130 ( -1.229 3.130 -11.518) 11.999 13.130 ( -1.229 3.130 11.518) 11.999 14.310 ( 0.276 -0.454 -14.099) 14.109 14.310 ( 0.276 -0.454 14.099) 14.109 14.757 ( 1.167 -1.172 -2.031) 2.620 14.757 ( 1.167 -1.172 2.031) 2.620 15.705 ( 3.122 -2.135 -4.370) 5.779 15.705 ( 3.122 -2.135 4.370) 5.779 16.456 ( 2.404 -2.554 -3.385) 4.875 16.456 ( 2.404 -2.554 3.385) 4.875 16.949 ( -0.187 1.352 -10.964) 11.049 16.949 ( -0.187 1.352 10.964) 11.049 17.360 ( 0.019 -0.194 -2.908) 2.915 17.360 ( 0.019 -0.194 2.908) 2.915 17.988 ( 0.584 -0.025 -11.025) 11.040 17.988 ( 0.584 -0.025 11.025) 11.040 20.116 ( 1.719 0.319 -5.772) 6.032 20.116 ( 1.719 0.319 5.772) 6.032 21.071 ( -2.791 -0.455 -2.673) 3.891 21.071 ( -2.791 -0.455 2.673) 3.891 22.161 ( 0.589 -1.805 -6.929) 7.185 22.161 ( 0.589 -1.805 6.929) 7.185 22.926 ( 0.074 1.056 -10.331) 10.385 22.926 ( 0.074 1.056 10.331) 10.385======================= Grid point 344 (106/125) =======================q-point: ( 0.11 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.203 ( 6.194 -0.000 -31.324) 31.931 3.203 ( 6.194 -0.000 31.324) 31.931 3.432 ( 5.142 -0.000 -33.482) 33.875 3.432 ( 5.142 -0.000 33.482) 33.875 5.164 ( 12.525 -0.000 -16.189) 20.468 5.164 ( 12.525 -0.000 16.189) 20.468 5.671 ( 11.780 -0.000 -26.150) 28.681 5.671 ( 11.780 -0.000 26.150) 28.681 7.510 ( -21.358 0.000 -12.412) 24.703 7.510 ( -21.358 0.000 12.412) 24.703 7.976 ( -6.803 0.000 -2.721) 7.327 7.976 ( -6.803 0.000 2.721) 7.327 8.397 ( 2.672 -0.000 -7.916) 8.355 8.397 ( 2.672 -0.000 7.916) 8.355 9.100 ( -9.424 0.000 -7.935) 12.320 9.100 ( -9.424 0.000 7.935) 12.320 9.669 ( 0.762 -0.000 -1.334) 1.536 9.669 ( 0.762 -0.000 1.334) 1.536 9.802 ( 10.808 -0.000 -20.815) 23.454 9.802 ( 10.808 -0.000 20.815) 23.454 10.558 ( 13.921 -0.000 -9.087) 16.624 10.558 ( 13.921 -0.000 9.087) 16.624 11.659 ( -9.984 0.000 -6.848) 12.107 11.659 ( -9.984 0.000 6.848) 12.107 12.095 ( -10.939 0.000 -5.758) 12.362 12.095 ( -10.939 0.000 5.758) 12.362 12.821 ( -14.270 0.000 -3.624) 14.724 12.821 ( -14.270 0.000 3.624) 14.724 13.206 ( -5.008 0.000 -1.527) 5.236 13.206 ( -5.008 0.000 1.527) 5.236 13.652 ( -9.696 0.000 -2.498) 10.013 13.652 ( -9.696 0.000 2.498) 10.013 14.101 ( -1.204 0.000 -4.737) 4.888 14.101 ( -1.204 0.000 4.737) 4.888 14.523 ( 21.522 -0.000 -7.127) 22.671 14.523 ( 21.522 -0.000 7.127) 22.671 15.126 ( 4.905 -0.000 -2.729) 5.613 15.126 ( 4.905 -0.000 2.729) 5.613 16.182 ( 10.351 -0.000 -2.643) 10.683 16.182 ( 10.351 -0.000 2.643) 10.683 16.814 ( 0.682 -0.000 -3.556) 3.620 16.814 ( 0.682 -0.000 3.556) 3.620 17.374 ( 3.412 -0.000 -6.752) 7.565 17.374 ( 3.412 -0.000 6.752) 7.565 18.013 ( -2.289 0.000 -2.622) 3.480 18.013 ( -2.289 0.000 2.622) 3.480 20.056 ( 4.130 -0.000 -0.916) 4.230 20.056 ( 4.130 -0.000 0.916) 4.230 21.188 ( -6.888 0.000 -0.358) 6.897 21.188 ( -6.888 0.000 0.358) 6.897 21.954 ( 1.959 -0.000 -4.492) 4.901 21.954 ( 1.959 -0.000 4.492) 4.901 23.008 ( 1.049 -0.000 -16.895) 16.927 23.008 ( 1.049 -0.000 16.895) 16.927======================= Grid point 346 (107/125) =======================q-point: ( 0.22 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.349 ( 13.258 -1.597 -24.777) 28.146 3.349 ( 13.258 -1.597 24.777) 28.146 3.590 ( 9.169 -7.401 -29.271) 31.554 3.590 ( 9.169 -7.401 29.271) 31.554 5.325 ( 8.344 -0.324 -8.103) 11.636 5.325 ( 8.344 -0.324 8.103) 11.636 5.883 ( 18.726 2.137 -17.731) 25.877 5.883 ( 18.726 2.137 17.731) 25.877 7.153 ( -25.991 0.361 -13.325) 29.209 7.153 ( -25.991 0.361 13.325) 29.209 7.721 ( -20.547 11.065 -6.578) 24.246 7.721 ( -20.547 11.065 6.578) 24.246 8.396 ( 5.598 2.483 -8.588) 10.548 8.396 ( 5.598 2.483 8.588) 10.548 9.113 ( 4.562 -2.682 -10.601) 11.848 9.113 ( 4.562 -2.682 10.601) 11.848 9.618 ( 1.713 -1.615 -6.241) 6.670 9.618 ( 1.713 -1.615 6.241) 6.670 10.074 ( 7.669 -6.937 -10.275) 14.578 10.074 ( 7.669 -6.937 10.275) 14.578 10.761 ( 9.153 -4.915 -16.560) 19.549 10.761 ( 9.153 -4.915 16.560) 19.549 11.441 ( -15.181 3.556 -10.135) 18.596 11.441 ( -15.181 3.556 10.135) 18.596 11.907 ( -10.498 3.030 -8.919) 14.104 11.907 ( -10.498 3.030 8.919) 14.104 12.673 ( -9.110 -3.542 -2.113) 10.000 12.673 ( -9.110 -3.542 2.113) 10.000 13.052 ( -7.495 9.204 -5.404) 13.042 13.052 ( -7.495 9.204 5.404) 13.042 13.452 ( -9.629 5.195 -2.529) 11.229 13.452 ( -9.629 5.195 2.529) 11.229 14.162 ( 1.388 -6.304 -6.548) 9.195 14.162 ( 1.388 -6.304 6.548) 9.195 14.735 ( 12.255 5.228 -7.245) 15.166 14.735 ( 12.255 5.228 7.245) 15.166 15.314 ( 12.439 -7.379 -4.080) 15.028 15.314 ( 12.439 -7.379 4.080) 15.028 16.311 ( 7.362 0.220 -4.995) 8.899 16.311 ( 7.362 0.220 4.995) 8.899 16.862 ( 2.520 -3.078 -5.293) 6.621 16.862 ( 2.520 -3.078 5.293) 6.621 17.399 ( 0.560 1.111 -3.938) 4.130 17.399 ( 0.560 1.111 3.938) 4.130 17.983 ( -1.261 0.037 -6.812) 6.928 17.983 ( -1.261 0.037 6.812) 6.928 20.116 ( 5.027 0.945 -1.645) 5.374 20.116 ( 5.027 0.945 1.645) 5.374 21.097 ( -6.342 -0.729 -3.054) 7.077 21.097 ( -6.342 -0.729 3.054) 7.077 22.003 ( 2.917 -1.808 -5.587) 6.557 22.003 ( 2.917 -1.808 5.587) 6.557 23.012 ( 0.721 1.315 -17.923) 17.985 23.012 ( 0.721 1.315 17.923) 17.985======================= Grid point 348 (108/125) =======================q-point: ( 0.33 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.639 ( 17.815 -6.203 -17.628) 25.819 3.639 ( 17.815 -6.203 17.628) 25.819 3.884 ( 11.323 -10.327 -22.604) 27.309 3.884 ( 11.323 -10.327 22.604) 27.309 5.400 ( 2.474 0.653 -11.368) 11.652 5.400 ( 2.474 0.653 11.368) 11.652 6.046 ( 9.019 7.855 -13.739) 18.216 6.046 ( 9.019 7.855 13.739) 18.216 6.850 ( -17.948 -6.761 -9.481) 21.394 6.850 ( -17.948 -6.761 9.481) 21.394 7.142 ( -18.598 22.795 -18.441) 34.721 7.142 ( -18.598 22.795 18.441) 34.721 8.532 ( 6.705 -6.789 -5.511) 11.019 8.532 ( 6.705 -6.789 5.511) 11.019 9.143 ( 8.025 11.154 -5.200) 14.692 9.143 ( 8.025 11.154 5.200) 14.692 9.803 ( 0.394 -15.399 -10.895) 18.868 9.803 ( 0.394 -15.399 10.895) 18.868 10.192 ( 0.220 -4.587 -5.925) 7.496 10.192 ( 0.220 -4.587 5.925) 7.496 10.939 ( 0.235 -7.257 -25.840) 26.841 10.939 ( 0.235 -7.257 25.840) 26.841 11.204 ( -4.763 5.618 -14.012) 15.830 11.204 ( -4.763 5.618 14.012) 15.830 11.745 ( -7.197 0.733 -7.741) 10.595 11.745 ( -7.197 0.733 7.741) 10.595 12.620 ( -12.949 -5.241 -7.191) 15.712 12.620 ( -12.949 -5.241 7.191) 15.712 12.769 ( -2.211 12.676 -2.144) 13.045 12.769 ( -2.211 12.676 2.144) 13.045 13.255 ( -7.843 4.239 -7.220) 11.472 13.255 ( -7.843 4.239 7.220) 11.472 14.289 ( 3.220 -4.998 -7.905) 9.891 14.289 ( 3.220 -4.998 7.905) 9.891 14.777 ( 6.506 5.228 -4.742) 9.599 14.777 ( 6.506 5.228 4.742) 9.599 15.597 ( 11.044 -4.965 -6.144) 13.578 15.597 ( 11.044 -4.965 6.144) 13.578 16.399 ( 5.656 -0.402 -4.019) 6.950 16.399 ( 5.656 -0.402 4.019) 6.950 16.945 ( 1.516 -2.264 -9.696) 10.072 16.945 ( 1.516 -2.264 9.696) 10.072 17.361 ( -2.569 0.835 -3.525) 4.441 17.361 ( -2.569 0.835 3.525) 4.441 17.979 ( -0.231 -0.491 -10.362) 10.376 17.979 ( -0.231 -0.491 10.362) 10.376 20.159 ( 3.536 1.984 -4.058) 5.736 20.159 ( 3.536 1.984 4.058) 5.736 21.043 ( -2.630 -1.174 -3.794) 4.763 21.043 ( -2.630 -1.174 3.794) 4.763 22.085 ( 3.624 -2.477 -7.044) 8.300 22.085 ( 3.624 -2.477 7.044) 8.300 22.988 ( -0.041 2.323 -16.288) 16.452 22.988 ( -0.041 2.323 16.288) 16.452======================= Grid point 350 (109/125) =======================q-point: ( 0.44 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.962 ( 11.881 -4.038 -9.701) 15.861 3.962 ( 11.881 -4.038 9.701) 15.861 4.171 ( 10.587 -4.725 -9.605) 15.055 4.171 ( 10.587 -4.725 9.605) 15.055 5.386 ( -2.784 0.071 -14.627) 14.889 5.386 ( -2.784 0.071 14.627) 14.889 5.826 ( -22.474 2.944 -9.816) 24.700 5.826 ( -22.474 2.944 9.816) 24.700 6.598 ( -7.166 17.723 -18.747) 26.776 6.598 ( -7.166 17.723 18.747) 26.776 6.969 ( 14.266 -5.536 -11.372) 19.066 6.969 ( 14.266 -5.536 11.372) 19.066 8.708 ( 2.072 -4.218 -5.866) 7.516 8.708 ( 2.072 -4.218 5.866) 7.516 9.055 ( 4.708 10.420 -7.131) 13.476 9.055 ( 4.708 10.420 7.131) 13.476 9.898 ( -7.305 -6.304 -13.391) 16.505 9.898 ( -7.305 -6.304 13.391) 16.505 10.391 ( 7.076 -12.791 -9.898) 17.654 10.391 ( 7.076 -12.791 9.898) 17.654 10.953 ( -7.396 -4.393 -18.576) 20.472 10.953 ( -7.396 -4.393 18.577) 20.472 11.141 ( 3.446 5.708 -23.112) 24.054 11.141 ( 3.446 5.708 23.112) 24.054 11.692 ( -3.194 -3.082 -5.481) 7.053 11.692 ( -3.194 -3.082 5.481) 7.053 12.387 ( -10.978 4.695 -10.011) 15.582 12.387 ( -10.978 4.695 10.011) 15.582 12.728 ( 0.490 -2.105 -4.617) 5.097 12.728 ( 0.490 -2.105 4.617) 5.097 13.108 ( -5.852 1.641 -11.503) 13.010 13.108 ( -5.852 1.641 11.503) 13.010 14.383 ( 4.204 -0.041 -9.406) 10.303 14.383 ( 4.204 -0.041 9.406) 10.303 14.784 ( 3.614 3.315 -1.938) 5.273 14.784 ( 3.614 3.315 1.938) 5.273 15.741 ( 3.819 0.240 -4.770) 6.115 15.741 ( 3.819 0.240 4.770) 6.115 16.493 ( 5.710 -0.187 -3.257) 6.576 16.493 ( 5.710 -0.187 3.257) 6.576 16.937 ( -3.461 0.716 -11.039) 11.590 16.937 ( -3.461 0.716 11.039) 11.590 17.338 ( -1.202 -1.471 -1.485) 2.412 17.338 ( -1.202 -1.471 1.485) 2.412 17.979 ( -1.157 -0.590 -11.410) 11.484 17.979 ( -1.157 -0.590 11.410) 11.484 20.150 ( -0.097 2.348 -5.582) 6.057 20.150 ( -0.097 2.348 5.582) 6.057 21.066 ( 3.572 -0.820 -2.880) 4.661 21.066 ( 3.572 -0.820 2.880) 4.661 22.165 ( 2.883 -1.377 -8.074) 8.683 22.165 ( 2.883 -1.377 8.074) 8.683 22.947 ( -0.486 2.214 -11.563) 11.783 22.947 ( -0.486 2.214 11.563) 11.783======================= Grid point 352 (110/125) =======================q-point: (-0.44 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.977 ( -2.348 11.621 -7.488) 14.022 3.977 ( -2.348 11.621 7.488) 14.022 4.246 ( 0.474 7.936 -11.969) 14.369 4.246 ( 0.474 7.936 11.969) 14.369 5.295 ( -12.055 -2.260 -10.980) 16.462 5.295 ( -12.055 -2.260 10.980) 16.462 5.602 ( -11.795 -9.860 -15.734) 21.997 5.602 ( -11.795 -9.860 15.734) 21.997 6.410 ( 4.885 3.654 -22.657) 23.464 6.410 ( 4.885 3.654 22.657) 23.464 7.347 ( 21.837 -7.587 -8.114) 24.500 7.347 ( 21.837 -7.587 8.114) 24.500 8.659 ( -5.917 3.857 -8.590) 11.120 8.659 ( -5.917 3.857 8.590) 11.120 8.984 ( 4.014 9.208 -10.458) 14.500 8.984 ( 4.014 9.208 10.458) 14.500 9.928 ( -3.792 -7.232 -13.489) 15.768 9.928 ( -3.792 -7.232 13.489) 15.768 10.621 ( 4.527 -4.247 -16.733) 17.848 10.621 ( 4.527 -4.247 16.733) 17.848 10.925 ( -5.669 -3.619 -4.839) 8.286 10.925 ( -5.669 -3.619 4.839) 8.286 11.080 ( 2.223 5.860 -17.205) 18.311 11.080 ( 2.223 5.860 17.205) 18.311 11.720 ( -1.574 -5.655 -3.483) 6.826 11.720 ( -1.574 -5.655 3.483) 6.826 12.281 ( -3.094 -4.251 -2.096) 5.660 12.281 ( -3.094 -4.251 2.096) 5.660 12.771 ( -1.744 -3.877 -5.889) 7.263 12.771 ( -1.744 -3.877 5.889) 7.263 13.069 ( -0.549 -3.620 -13.106) 13.608 13.069 ( -0.549 -3.620 13.106) 13.608 14.413 ( 4.404 3.865 -10.511) 12.033 14.413 ( 4.404 3.865 10.511) 12.033 14.775 ( 2.099 3.394 -1.049) 4.126 14.775 ( 2.099 3.394 1.049) 4.126 15.711 ( -2.924 4.095 -3.664) 6.224 15.711 ( -2.924 4.095 3.664) 6.224 16.496 ( -1.048 5.575 -3.843) 6.852 16.496 ( -1.048 5.575 3.843) 6.852 16.907 ( -0.915 -2.702 -10.015) 10.414 16.907 ( -0.915 -2.702 10.015) 10.414 17.345 ( -1.124 -0.931 -3.170) 3.490 17.345 ( -1.124 -0.931 3.170) 3.490 17.965 ( -1.888 -0.654 -10.614) 10.800 17.965 ( -1.888 -0.654 10.614) 10.800 20.094 ( -2.778 1.756 -5.317) 6.251 20.094 ( -2.778 1.756 5.317) 6.251 21.158 ( 8.454 0.492 -1.915) 8.682 21.158 ( 8.454 0.492 1.915) 8.682 22.191 ( 0.273 1.313 -9.091) 9.190 22.191 ( 0.273 1.313 9.091) 9.190 22.919 ( -0.074 0.702 -6.836) 6.873 22.919 ( -0.074 0.702 6.836) 6.873======================= Grid point 354 (111/125) =======================q-point: (-0.33 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.653 ( -6.120 17.993 -15.188) 24.329 3.653 ( -6.120 17.993 15.188) 24.329 3.972 ( -11.093 14.049 -23.258) 29.349 3.972 ( -11.093 14.049 23.258) 29.349 5.227 ( -5.121 -3.666 -7.287) 9.631 5.227 ( -5.121 -3.666 7.287) 9.631 5.585 ( -8.350 -3.715 -17.003) 19.304 5.585 ( -8.350 -3.715 17.003) 19.304 6.637 ( 11.460 -15.716 -19.373) 27.453 6.637 ( 11.460 -15.716 19.373) 27.453 7.750 ( 11.645 -10.930 -8.199) 17.953 7.750 ( 11.645 -10.930 8.199) 17.953 8.550 ( 1.187 2.650 -8.232) 8.729 8.550 ( 1.187 2.650 8.232) 8.729 8.866 ( 3.705 12.756 -10.165) 16.726 8.866 ( 3.705 12.756 10.165) 16.726 9.894 ( -8.169 2.325 -8.413) 11.955 9.894 ( -8.169 2.325 8.413) 11.955 10.646 ( -1.741 4.286 -12.000) 12.861 10.646 ( -1.741 4.286 12.000) 12.861 10.837 ( -3.849 6.258 -10.389) 12.724 10.837 ( -3.849 6.258 10.389) 12.724 11.140 ( 6.019 -8.407 -3.249) 10.838 11.140 ( 6.019 -8.407 3.249) 10.838 11.855 ( 4.157 -9.329 -1.296) 10.295 11.855 ( 4.157 -9.329 1.296) 10.295 12.381 ( -0.577 -10.669 -4.567) 11.620 12.381 ( -0.577 -10.669 4.567) 11.620 12.792 ( -5.698 -6.526 -3.707) 9.423 12.792 ( -5.698 -6.526 3.707) 9.423 13.205 ( 6.108 -8.015 -11.206) 15.071 13.205 ( 6.108 -8.015 11.206) 15.071 14.398 ( 3.405 5.467 -10.350) 12.190 14.398 ( 3.405 5.467 10.350) 12.190 14.743 ( 3.495 5.778 -3.163) 7.456 14.743 ( 3.495 5.778 3.163) 7.456 15.539 ( -8.851 7.308 -6.470) 13.176 15.539 ( -8.851 7.308 6.470) 13.176 16.340 ( -5.676 6.460 -5.233) 10.067 16.340 ( -5.676 6.460 5.233) 10.067 16.950 ( 1.005 -0.866 -7.764) 7.877 16.950 ( 1.005 -0.866 7.764) 7.877 17.331 ( -1.918 -0.430 -6.056) 6.367 17.331 ( -1.918 -0.430 6.056) 6.367 17.956 ( -0.980 -1.241 -8.138) 8.291 17.956 ( -0.980 -1.241 8.138) 8.291 20.030 ( -3.219 0.778 -4.188) 5.339 20.030 ( -3.219 0.778 4.188) 5.339 21.274 ( 9.704 2.029 -2.757) 10.290 21.274 ( 9.704 2.029 2.757) 10.290 22.135 ( -2.451 3.520 -9.528) 10.449 22.135 ( -2.451 3.520 9.528) 10.449 22.924 ( 0.399 -0.840 -9.087) 9.135 22.924 ( 0.399 -0.840 9.087) 9.135======================= Grid point 356 (112/125) =======================q-point: (-0.22 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.374 ( 0.872 11.740 -24.777) 27.432 3.374 ( 0.872 11.740 24.777) 27.432 3.600 ( -11.362 12.056 -29.014) 33.410 3.600 ( -11.362 12.056 29.014) 33.410 5.184 ( -2.388 3.437 -11.276) 12.028 5.184 ( -2.388 3.437 11.276) 12.028 5.511 ( -5.784 -1.670 -24.569) 25.296 5.511 ( -5.784 -1.670 24.569) 25.296 7.102 ( 9.229 -22.758 -17.299) 30.039 7.102 ( 9.229 -22.758 17.299) 30.039 7.957 ( -2.883 -9.490 -10.476) 14.426 7.957 ( -2.883 -9.490 10.476) 14.426 8.633 ( 11.914 3.964 -7.881) 14.824 8.633 ( 11.914 3.964 7.881) 14.824 8.736 ( 0.542 5.914 -3.960) 7.138 8.736 ( 0.542 5.914 3.960) 7.138 9.697 ( -6.451 5.418 -14.541) 16.805 9.697 ( -6.451 5.418 14.541) 16.805 10.475 ( -2.226 11.957 -11.164) 16.510 10.475 ( -2.226 11.957 11.164) 16.510 10.641 ( -4.931 11.133 -1.845) 12.315 10.641 ( -4.931 11.133 1.845) 12.315 11.429 ( 5.023 -14.650 -11.249) 19.141 11.429 ( 5.023 -14.650 11.249) 19.141 12.080 ( 6.982 -7.850 -2.942) 10.910 12.080 ( 6.982 -7.850 2.942) 10.910 12.573 ( 2.811 -13.336 -4.209) 14.265 12.573 ( 2.811 -13.336 4.209) 14.265 12.828 ( -8.294 -11.901 -5.329) 15.454 12.828 ( -8.294 -11.901 5.329) 15.454 13.436 ( 6.126 -9.024 -10.903) 15.422 13.436 ( 6.126 -9.024 10.903) 15.422 14.339 ( 1.217 6.807 -9.537) 11.780 14.339 ( 1.217 6.807 9.537) 11.780 14.701 ( 6.279 9.796 -5.162) 12.729 14.701 ( 6.279 9.796 5.162) 12.729 15.266 ( -11.049 7.451 -6.958) 15.034 15.266 ( -11.049 7.451 6.958) 15.034 16.172 ( -4.767 5.424 -6.485) 9.706 16.172 ( -4.767 5.424 6.485) 9.706 16.941 ( 0.221 2.996 -7.446) 8.029 16.941 ( 0.221 2.996 7.446) 8.029 17.312 ( -1.651 -0.500 -7.739) 7.929 17.312 ( -1.651 -0.500 7.739) 7.929 17.978 ( 0.228 -2.128 -5.008) 5.447 17.978 ( 0.228 -2.128 5.008) 5.447 19.986 ( -2.033 -0.138 -3.281) 3.862 19.986 ( -2.033 -0.138 3.281) 3.862 21.356 ( 6.534 3.076 -4.042) 8.276 21.356 ( 6.534 3.076 4.042) 8.276 22.038 ( -2.522 3.732 -8.189) 9.346 22.038 ( -2.522 3.732 8.189) 9.346 22.946 ( 0.137 -1.347 -12.176) 12.251 22.946 ( 0.137 -1.347 12.176) 12.251======================= Grid point 358 (113/125) =======================q-point: (-0.11 0.11 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.307 ( 0.000 9.935 -32.949) 34.415 3.307 ( 0.000 9.935 32.949) 34.415 3.332 ( 0.000 1.479 -33.059) 33.092 3.332 ( 0.000 1.479 33.059) 33.092 5.072 ( 0.000 7.175 -16.762) 18.233 5.072 ( 0.000 7.175 16.762) 18.233 5.494 ( -0.000 -1.455 -28.884) 28.921 5.494 ( -0.000 -1.455 28.884) 28.921 7.517 ( -0.000 -21.189 -17.926) 27.754 7.517 ( -0.000 -21.189 17.926) 27.754 8.021 ( -0.000 -2.359 -7.751) 8.102 8.021 ( -0.000 -2.359 7.751) 8.102 8.534 ( 0.000 13.389 -8.868) 16.060 8.534 ( 0.000 13.389 8.868) 16.060 8.849 ( -0.000 -14.810 -9.866) 17.795 8.849 ( -0.000 -14.810 9.866) 17.795 9.612 ( 0.000 2.356 -22.224) 22.349 9.612 ( 0.000 2.356 22.224) 22.349 10.278 ( 0.000 12.162 -21.251) 24.485 10.278 ( 0.000 12.162 21.251) 24.485 10.381 ( 0.000 14.753 -13.264) 19.839 10.381 ( 0.000 14.753 13.264) 19.839 11.651 ( -0.000 -9.448 -10.104) 13.833 11.651 ( -0.000 -9.448 10.104) 13.833 12.223 ( -0.000 -3.446 -2.218) 4.098 12.223 ( -0.000 -3.446 2.218) 4.098 12.874 ( -0.000 -16.110 -4.348) 16.686 12.874 ( -0.000 -16.110 4.348) 16.686 12.935 ( -0.000 -15.492 -7.739) 17.317 12.935 ( -0.000 -15.492 7.739) 17.317 13.613 ( -0.000 -7.865 -9.118) 12.042 13.613 ( -0.000 -7.865 9.118) 12.042 14.224 ( 0.000 8.825 -9.232) 12.771 14.224 ( 0.000 8.825 9.232) 12.771 14.561 ( 0.000 14.977 -7.293) 16.658 14.561 ( 0.000 14.977 7.293) 16.658 15.101 ( 0.000 2.628 -4.969) 5.621 15.101 ( 0.000 2.628 4.969) 5.621 16.055 ( 0.000 4.699 -6.654) 8.146 16.055 ( 0.000 4.699 6.654) 8.146 16.885 ( 0.000 3.913 -8.259) 9.140 16.885 ( 0.000 3.913 8.259) 9.140 17.304 ( -0.000 -0.236 -8.463) 8.467 17.304 ( -0.000 -0.236 8.463) 8.467 18.016 ( -0.000 -2.202 -2.797) 3.559 18.016 ( -0.000 -2.202 2.797) 3.559 19.978 ( -0.000 -0.679 -2.712) 2.795 19.978 ( -0.000 -0.679 2.712) 2.795 21.357 ( 0.000 2.786 -4.560) 5.344 21.357 ( 0.000 2.786 4.560) 5.344 21.968 ( 0.000 2.948 -6.091) 6.766 21.968 ( 0.000 2.948 6.091) 6.766 22.967 ( -0.000 -1.293 -13.716) 13.777 22.967 ( -0.000 -1.293 13.716) 13.777======================= Grid point 364 (114/125) =======================q-point: ( 0.22 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.582 ( 19.577 -0.000 -20.238) 28.157 3.582 ( 19.577 -0.000 20.238) 28.157 3.667 ( 11.005 -0.000 -25.925) 28.164 3.667 ( 11.005 -0.000 25.925) 28.164 5.421 ( 4.838 -0.000 -3.776) 6.137 5.421 ( 4.838 -0.000 3.776) 6.137 6.225 ( 24.296 -0.000 -8.785) 25.836 6.225 ( 24.296 -0.000 8.785) 25.836 6.660 ( -38.048 0.000 -3.186) 38.181 6.660 ( -38.048 0.000 3.186) 38.181 7.587 ( -13.495 0.000 -13.546) 19.121 7.587 ( -13.495 0.000 13.546) 19.121 8.508 ( 3.719 -0.000 -6.803) 7.754 8.508 ( 3.719 -0.000 6.803) 7.754 9.130 ( 8.999 -0.000 -12.111) 15.089 9.130 ( 8.999 -0.000 12.111) 15.089 9.589 ( -3.709 0.000 -10.064) 10.726 9.589 ( -3.709 0.000 10.064) 10.726 10.197 ( 9.267 -0.000 -4.123) 10.143 10.197 ( 9.267 -0.000 4.123) 10.143 10.761 ( -3.656 0.000 -16.760) 17.154 10.761 ( -3.656 0.000 16.760) 17.154 11.271 ( -8.243 0.000 -14.046) 16.286 11.271 ( -8.243 0.000 14.046) 16.286 11.796 ( -8.896 0.000 -9.324) 12.887 11.796 ( -8.896 0.000 9.324) 12.887 12.493 ( -9.626 0.000 -1.803) 9.793 12.493 ( -9.626 0.000 1.803) 9.793 13.040 ( -6.189 0.000 -1.109) 6.287 13.040 ( -6.189 0.000 1.109) 6.287 13.331 ( -11.732 0.000 -0.660) 11.751 13.331 ( -11.732 0.000 0.660) 11.751 14.134 ( 2.705 -0.000 -5.570) 6.192 14.134 ( 2.705 -0.000 5.570) 6.192 14.926 ( 6.931 -0.000 -8.487) 10.957 14.926 ( 6.931 -0.000 8.487) 10.957 15.481 ( 17.623 -0.000 -0.158) 17.623 15.481 ( 17.623 -0.000 0.158) 17.623 16.410 ( 6.103 -0.000 -3.047) 6.821 16.410 ( 6.103 -0.000 3.047) 6.821 16.882 ( 3.451 -0.000 -6.307) 7.190 16.882 ( 3.451 -0.000 6.307) 7.190 17.385 ( -3.754 0.000 -0.735) 3.825 17.385 ( -3.754 0.000 0.735) 3.825 17.968 ( -0.744 0.000 -9.923) 9.951 17.968 ( -0.744 0.000 9.923) 9.951 20.196 ( 4.501 -0.000 -1.350) 4.699 20.196 ( 4.501 -0.000 1.350) 4.699 21.020 ( -2.991 0.000 -4.721) 5.588 21.020 ( -2.991 0.000 4.721) 5.588 22.044 ( 4.472 -0.000 -6.356) 7.772 22.044 ( 4.472 -0.000 6.356) 7.772 23.029 ( 0.204 -0.000 -18.342) 18.344 23.029 ( 0.204 -0.000 18.342) 18.344======================= Grid point 366 (115/125) =======================q-point: ( 0.33 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.829 ( 14.374 -2.199 -14.789) 20.740 3.829 ( 14.374 -2.199 14.789) 20.740 3.962 ( 19.899 -6.280 -13.882) 25.062 3.962 ( 19.899 -6.280 13.882) 25.062 5.447 ( 0.610 2.304 -9.046) 9.355 5.447 ( 0.610 2.304 9.046) 9.355 5.998 ( -37.708 5.349 -3.323) 38.230 5.998 ( -37.708 5.349 3.323) 38.230 6.661 ( 19.587 -5.003 -5.150) 20.861 6.661 ( 19.587 -5.003 5.150) 20.861 7.313 ( -6.323 15.143 -21.343) 26.923 7.313 ( -6.323 15.143 21.343) 26.923 8.552 ( 4.038 -2.155 -4.871) 6.684 8.552 ( 4.038 -2.155 4.871) 6.684 9.316 ( 4.295 -0.735 -6.668) 7.965 9.316 ( 4.295 -0.735 6.668) 7.965 9.579 ( -0.717 -7.631 -10.777) 13.225 9.579 ( -0.717 -7.631 10.777) 13.225 10.198 ( -3.247 1.918 -12.474) 13.032 10.198 ( -3.247 1.918 12.474) 13.032 10.736 ( -7.360 -7.831 -24.922) 27.140 10.736 ( -7.360 -7.831 24.922) 27.140 11.242 ( 2.592 0.680 -12.588) 12.870 11.242 ( 2.592 0.680 12.588) 12.870 11.671 ( -5.507 1.238 -11.382) 12.705 11.671 ( -5.507 1.238 11.382) 12.705 12.390 ( -9.538 -2.663 -4.896) 11.047 12.390 ( -9.538 -2.663 4.896) 11.047 12.877 ( -5.384 8.042 -1.493) 9.792 12.877 ( -5.384 8.042 1.493) 9.792 13.164 ( -9.827 0.854 -5.974) 11.532 13.164 ( -9.827 0.854 5.974) 11.532 14.225 ( 2.053 -6.197 -5.690) 8.660 14.225 ( 2.053 -6.197 5.690) 8.660 14.973 ( 7.055 5.463 -7.450) 11.624 14.973 ( 7.055 5.463 7.450) 11.624 15.719 ( 11.560 -1.187 -3.771) 12.218 15.719 ( 11.560 -1.187 3.771) 12.218 16.497 ( 7.604 0.770 -1.560) 7.801 16.497 ( 7.604 0.770 1.560) 7.801 16.932 ( 0.214 -1.212 -9.615) 9.693 16.932 ( 0.214 -1.212 9.615) 9.693 17.314 ( -4.502 0.087 -1.346) 4.699 17.314 ( -4.502 0.087 1.346) 4.699 17.958 ( -1.465 -0.538 -11.788) 11.891 17.958 ( -1.465 -0.538 11.788) 11.891 20.224 ( 0.898 1.798 -2.867) 3.502 20.224 ( 0.898 1.798 2.867) 3.502 21.031 ( 3.850 -1.006 -3.187) 5.098 21.031 ( 3.850 -1.006 3.187) 5.098 22.117 ( 3.924 -1.157 -8.027) 9.009 22.117 ( 3.924 -1.157 8.027) 9.009 23.017 ( -0.010 1.618 -16.113) 16.194 23.017 ( -0.010 1.618 16.113) 16.194======================= Grid point 368 (116/125) =======================q-point: ( 0.44 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.065 ( 9.895 -3.999 -9.129) 14.044 4.065 ( 9.895 -3.999 9.129) 14.044 4.328 ( 18.342 -2.654 -5.342) 19.288 4.328 ( 18.342 -2.654 5.342) 19.288 5.306 ( -22.378 3.915 -13.807) 26.585 5.306 ( -22.378 3.915 13.807) 26.585 5.456 ( -18.202 0.847 -5.301) 18.977 5.456 ( -18.202 0.847 5.301) 18.977 6.793 ( 1.774 14.710 -16.564) 22.224 6.793 ( 1.774 14.710 16.564) 22.224 7.210 ( 18.022 1.281 -12.579) 22.015 7.210 ( 18.022 1.281 12.579) 22.015 8.694 ( 4.623 -5.055 -4.480) 8.185 8.694 ( 4.623 -5.055 4.480) 8.185 9.216 ( -2.797 7.408 -10.655) 13.275 9.216 ( -2.797 7.408 10.655) 13.275 9.681 ( -5.447 -6.244 -7.482) 11.164 9.681 ( -5.447 -6.244 7.482) 11.164 10.301 ( 5.544 -14.498 -16.441) 22.611 10.301 ( 5.544 -14.498 16.441) 22.611 10.722 ( -10.462 -6.427 -8.331) 14.838 10.722 ( -10.462 -6.427 8.331) 14.838 11.250 ( 1.609 2.925 -9.677) 10.236 11.250 ( 1.609 2.925 9.677) 10.236 11.636 ( 0.377 -0.397 -9.629) 9.644 11.636 ( 0.377 -0.397 9.629) 9.644 12.262 ( -9.428 0.806 -8.049) 12.423 12.262 ( -9.428 0.806 8.049) 12.423 12.729 ( -2.824 2.814 -5.906) 7.126 12.729 ( -2.824 2.814 5.906) 7.126 13.034 ( -6.261 0.328 -10.646) 12.355 13.034 ( -6.261 0.328 10.646) 12.355 14.344 ( -0.012 -6.672 -5.210) 8.465 14.344 ( -0.012 -6.672 5.210) 8.465 14.982 ( 8.739 7.982 -6.224) 13.372 14.982 ( 8.739 7.982 6.224) 13.372 15.814 ( 3.119 2.495 -3.570) 5.357 15.814 ( 3.119 2.495 3.570) 5.357 16.603 ( 7.574 1.255 -4.118) 8.712 16.603 ( 7.574 1.255 4.118) 8.712 16.884 ( -5.240 1.202 -11.440) 12.641 16.884 ( -5.240 1.202 11.440) 12.641 17.292 ( -1.029 -1.998 -0.953) 2.441 17.292 ( -1.029 -1.998 0.953) 2.441 17.940 ( -2.553 -0.872 -11.951) 12.252 17.940 ( -2.553 -0.872 11.951) 12.252 20.173 ( -2.388 2.881 -4.270) 5.678 20.173 ( -2.388 2.881 4.270) 5.678 21.152 ( 10.213 -0.858 -2.194) 10.481 21.152 ( 10.213 -0.858 2.194) 10.481 22.174 ( 0.563 -1.672 -10.386) 10.535 22.174 ( 0.563 -1.672 10.386) 10.535 22.986 ( 0.640 2.861 -10.953) 11.339 22.986 ( 0.640 2.861 10.953) 11.339======================= Grid point 370 (117/125) =======================q-point: (-0.44 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.143 ( 2.321 8.164 -1.173) 8.568 4.143 ( 2.321 8.164 1.173) 8.568 4.377 ( -5.912 11.965 -12.130) 18.035 4.377 ( -5.912 11.965 12.131) 18.035 5.022 ( -9.092 -7.984 -8.468) 14.769 5.022 ( -9.092 -7.984 8.468) 14.769 5.367 ( -4.915 -5.478 -2.953) 7.930 5.367 ( -4.915 -5.478 2.953) 7.930 6.591 ( 3.427 10.908 -23.565) 26.193 6.591 ( 3.427 10.908 23.565) 26.193 7.491 ( 12.345 -4.055 -7.632) 15.069 7.491 ( 12.345 -4.055 7.632) 15.069 8.709 ( 0.867 6.372 -9.487) 11.460 8.709 ( 0.867 6.372 9.487) 11.460 9.184 ( 7.705 3.263 -11.129) 13.924 9.184 ( 7.705 3.263 11.129) 13.924 9.716 ( -4.536 -10.273 -12.800) 17.028 9.716 ( -4.536 -10.273 12.800) 17.028 10.470 ( -13.440 -6.749 -12.454) 19.526 10.470 ( -13.440 -6.749 12.454) 19.526 10.802 ( 6.227 -13.399 -4.678) 15.499 10.802 ( 6.227 -13.399 4.678) 15.499 11.216 ( 1.945 4.845 -8.958) 10.369 11.216 ( 1.945 4.845 8.958) 10.369 11.623 ( -2.208 0.411 -7.287) 7.626 11.623 ( -2.208 0.411 7.287) 7.626 12.174 ( -3.481 -3.153 -3.374) 5.783 12.174 ( -3.481 -3.153 3.374) 5.783 12.674 ( -4.695 -1.203 -6.243) 7.903 12.674 ( -4.695 -1.203 6.243) 7.903 13.012 ( 0.057 -4.105 -12.340) 13.005 13.012 ( 0.057 -4.105 12.340) 13.005 14.415 ( -1.732 -4.274 -6.089) 7.638 14.415 ( -1.732 -4.274 6.089) 7.638 14.986 ( 10.283 9.271 -4.818) 14.660 14.986 ( 10.283 9.271 4.818) 14.660 15.744 ( -3.273 6.289 -5.009) 8.681 15.744 ( -3.273 6.289 5.009) 8.681 16.565 ( -4.229 6.945 -2.113) 8.401 16.565 ( -4.229 6.945 2.113) 8.401 16.878 ( 3.692 -2.393 -8.388) 9.472 16.878 ( 3.692 -2.393 8.388) 9.472 17.305 ( -1.636 -1.521 -3.842) 4.444 17.305 ( -1.636 -1.521 3.842) 4.444 17.919 ( -2.261 -1.203 -10.647) 10.950 17.919 ( -2.261 -1.203 10.647) 10.950 20.088 ( -2.951 2.801 -4.489) 6.059 20.088 ( -2.951 2.801 4.489) 6.059 21.321 ( 12.414 0.813 -4.129) 13.108 21.321 ( 12.414 0.813 4.129) 13.108 22.173 ( -3.812 -1.139 -12.613) 13.225 22.173 ( -3.812 -1.139 12.613) 13.225 22.957 ( 1.556 2.869 -4.236) 5.347 22.957 ( 1.556 2.869 4.236) 5.347======================= Grid point 372 (118/125) =======================q-point: (-0.33 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.900 ( -1.247 19.708 -11.074) 22.640 3.900 ( -1.247 19.708 11.074) 22.640 4.021 ( -10.948 14.090 -19.396) 26.356 4.021 ( -10.948 14.090 19.396) 26.356 5.139 ( 4.193 -6.109 -5.101) 8.996 5.139 ( 4.193 -6.109 5.101) 8.996 5.395 ( -6.998 -7.031 -11.662) 15.310 5.395 ( -6.998 -7.031 11.662) 15.310 6.623 ( 6.966 -4.877 -20.896) 22.560 6.623 ( 6.966 -4.877 20.896) 22.560 7.639 ( -1.281 -6.456 -9.651) 11.681 7.639 ( -1.281 -6.456 9.651) 11.681 8.667 ( 4.616 3.767 -6.918) 9.130 8.667 ( 4.616 3.767 6.918) 9.130 9.205 ( 11.872 13.301 -16.214) 24.099 9.205 ( 11.872 13.301 16.214) 24.099 9.772 ( -7.124 -2.513 -8.014) 11.014 9.772 ( -7.124 -2.513 8.014) 11.014 10.407 ( -11.616 -14.810 -18.537) 26.418 10.407 ( -11.616 -14.810 18.537) 26.418 11.003 ( 5.191 5.096 -6.535) 9.778 11.003 ( 5.191 5.096 6.535) 9.778 11.167 ( 2.848 2.805 -14.675) 15.209 11.167 ( 2.848 2.805 14.675) 15.209 11.677 ( -1.133 -13.985 -12.838) 19.018 11.677 ( -1.133 -13.985 12.838) 19.018 12.241 ( 0.036 -7.815 -3.112) 8.412 12.241 ( 0.036 -7.815 3.112) 8.412 12.625 ( -5.317 -2.292 -4.631) 7.414 12.625 ( -5.317 -2.292 4.631) 7.414 13.147 ( 3.275 -9.095 -12.713) 15.971 13.147 ( 3.275 -9.095 12.713) 15.971 14.431 ( -1.628 -1.306 -7.563) 7.846 14.431 ( -1.628 -1.306 7.563) 7.846 14.995 ( 10.828 9.650 -3.284) 14.872 14.995 ( 10.828 9.650 3.284) 14.872 15.534 ( -8.506 9.719 -9.646) 16.120 15.534 ( -8.506 9.719 9.646) 16.120 16.379 ( -4.146 7.699 -3.343) 9.362 16.379 ( -4.146 7.699 3.343) 9.362 16.966 ( 3.047 -1.026 -5.095) 6.025 16.966 ( 3.047 -1.026 5.095) 6.025 17.294 ( -1.895 -0.850 -6.282) 6.616 17.294 ( -1.895 -0.850 6.282) 6.616 17.918 ( -0.935 -1.748 -8.290) 8.524 17.918 ( -0.935 -1.748 8.290) 8.524 20.015 ( -1.842 2.068 -4.145) 4.985 20.015 ( -1.842 2.068 4.145) 4.985 21.453 ( 9.112 3.017 -5.411) 11.019 21.453 ( 9.112 3.017 5.411) 11.019 22.112 ( -4.725 0.213 -12.987) 13.821 22.112 ( -4.725 0.213 12.987) 13.821 22.943 ( 1.203 1.650 -3.217) 3.810 22.943 ( 1.203 1.650 3.217) 3.810======================= Grid point 374 (119/125) =======================q-point: (-0.22 0.22 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.621 ( 0.000 17.406 -19.669) 26.265 3.621 ( 0.000 17.406 19.669) 26.265 3.695 ( 0.000 14.445 -24.709) 28.622 3.695 ( 0.000 14.445 24.709) 28.622 5.219 ( 0.000 0.910 -6.415) 6.480 5.219 ( 0.000 0.910 6.415) 6.480 5.417 ( -0.000 -4.594 -22.383) 22.849 5.417 ( -0.000 -4.594 22.383) 22.849 6.863 ( -0.000 -17.227 -17.217) 24.355 6.863 ( -0.000 -17.227 17.217) 24.355 7.744 ( -0.000 -11.200 -12.234) 16.587 7.744 ( -0.000 -11.200 12.234) 16.587 8.673 ( 0.000 0.853 -2.363) 2.512 8.673 ( 0.000 0.853 2.363) 2.512 9.067 ( 0.000 18.759 -19.098) 26.770 9.067 ( 0.000 18.759 19.098) 26.770 9.677 ( 0.000 1.867 -15.592) 15.704 9.677 ( 0.000 1.867 15.592) 15.704 10.503 ( -0.000 -3.656 -28.517) 28.750 10.503 ( -0.000 -3.656 28.517) 28.750 10.847 ( 0.000 15.089 -10.123) 18.170 10.847 ( 0.000 15.089 10.123) 18.170 11.257 ( -0.000 -10.505 -18.813) 21.547 11.257 ( -0.000 -10.505 18.813) 21.547 11.939 ( -0.000 -16.607 -8.292) 18.563 11.939 ( -0.000 -16.607 8.292) 18.563 12.399 ( -0.000 -12.356 -5.064) 13.353 12.399 ( -0.000 -12.356 5.064) 13.353 12.623 ( -0.000 -4.573 -4.560) 6.457 12.623 ( -0.000 -4.573 4.560) 6.457 13.331 ( -0.000 -10.433 -12.855) 16.556 13.331 ( -0.000 -10.433 12.855) 16.556 14.413 ( 0.000 2.283 -8.134) 8.448 14.413 ( 0.000 2.283 8.134) 8.448 14.951 ( 0.000 10.538 -3.780) 11.196 14.951 ( 0.000 10.538 3.780) 11.196 15.283 ( 0.000 9.799 -11.544) 15.142 15.283 ( 0.000 9.799 11.544) 15.142 16.235 ( 0.000 7.052 -4.767) 8.512 16.235 ( 0.000 7.052 4.767) 8.512 16.981 ( 0.000 1.520 -5.706) 5.905 16.981 ( 0.000 1.520 5.706) 5.905 17.291 ( -0.000 -0.664 -7.622) 7.651 17.291 ( -0.000 -0.664 7.622) 7.651 17.943 ( -0.000 -2.271 -6.169) 6.574 17.943 ( -0.000 -2.271 6.169) 6.574 19.978 ( 0.000 0.988 -3.767) 3.894 19.978 ( 0.000 0.988 3.767) 3.894 21.466 ( 0.000 4.043 -5.534) 6.853 21.466 ( 0.000 4.043 5.534) 6.853 22.059 ( 0.000 2.008 -11.058) 11.239 22.059 ( 0.000 2.008 11.058) 11.239 22.938 ( 0.000 0.044 -7.933) 7.933 22.938 ( 0.000 0.044 7.933) 7.933======================= Grid point 384 (120/125) =======================q-point: ( 0.33 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.972 ( 10.002 -0.000 -12.779) 16.228 3.972 ( 10.002 -0.000 12.779) 16.228 4.245 ( 23.021 -0.000 -6.855) 24.020 4.245 ( 23.021 -0.000 6.855) 24.020 5.428 ( -41.048 0.000 -2.880) 41.149 5.428 ( -41.048 0.000 2.880) 41.149 5.468 ( -1.282 0.000 -7.496) 7.604 5.468 ( -1.282 0.000 7.496) 7.604 6.992 ( 24.273 -0.000 -3.719) 24.556 6.992 ( 24.273 -0.000 3.719) 24.556 7.365 ( -1.949 0.000 -22.334) 22.419 7.365 ( -1.949 0.000 22.334) 22.419 8.537 ( -1.951 0.000 -0.392) 1.990 8.537 ( -1.951 0.000 0.392) 1.990 9.355 ( 2.955 -0.000 -6.436) 7.082 9.355 ( 2.955 -0.000 6.436) 7.082 9.564 ( 4.037 -0.000 -15.026) 15.559 9.564 ( 4.037 -0.000 15.026) 15.559 10.049 ( -14.584 0.000 -4.643) 15.305 10.049 ( -14.584 0.000 4.643) 15.305 10.602 ( -5.235 0.000 -18.355) 19.087 10.602 ( -5.235 0.000 18.355) 19.087 11.285 ( 2.132 -0.000 -13.673) 13.838 11.285 ( 2.132 -0.000 13.673) 13.838 11.636 ( 0.425 -0.000 -20.646) 20.651 11.636 ( 0.425 -0.000 20.646) 20.651 12.266 ( -5.997 0.000 -0.874) 6.060 12.266 ( -5.997 0.000 0.874) 6.060 12.842 ( -7.996 0.000 -5.469) 9.688 12.842 ( -7.996 0.000 5.469) 9.688 13.031 ( -8.159 0.000 -7.205) 10.885 13.031 ( -8.159 0.000 7.205) 10.885 14.202 ( 1.516 -0.000 -6.609) 6.780 14.202 ( 1.516 -0.000 6.609) 6.780 15.120 ( 7.771 -0.000 -6.756) 10.297 15.120 ( 7.771 -0.000 6.756) 10.297 15.850 ( 6.811 -0.000 -1.380) 6.949 15.850 ( 6.811 -0.000 1.380) 6.949 16.624 ( 8.244 -0.000 -3.609) 8.999 16.624 ( 8.244 -0.000 3.609) 8.999 16.904 ( -3.211 0.000 -11.452) 11.894 16.904 ( -3.211 0.000 11.452) 11.894 17.261 ( -2.039 0.000 -1.362) 2.452 17.261 ( -2.039 0.000 1.362) 2.452 17.924 ( -2.646 0.000 -12.785) 13.056 17.924 ( -2.646 0.000 12.785) 13.056 20.226 ( -2.435 0.000 -0.441) 2.474 20.226 ( -2.435 0.000 0.441) 2.474 21.131 ( 10.904 -0.000 -0.568) 10.919 21.131 ( 10.904 -0.000 0.568) 10.919 22.141 ( 0.232 -0.000 -9.763) 9.766 22.141 ( 0.232 -0.000 9.763) 9.766 23.038 ( 1.114 -0.000 -13.493) 13.539 23.038 ( 1.114 -0.000 13.493) 13.539======================= Grid point 386 (121/125) =======================q-point: ( 0.44 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.125 ( 7.058 -3.521 -8.746) 11.777 4.125 ( 7.058 -3.521 8.746) 11.777 4.530 ( 7.687 -2.102 -6.971) 10.587 4.530 ( 7.687 -2.102 6.971) 10.587 4.921 ( -20.163 2.186 -4.787) 20.839 4.921 ( -20.163 2.186 4.787) 20.839 5.403 ( -4.456 3.335 -6.440) 8.512 5.403 ( -4.456 3.335 6.440) 8.512 7.076 ( 2.618 16.363 -19.881) 25.882 7.076 ( 2.618 16.363 19.881) 25.882 7.454 ( 15.114 -0.812 -7.130) 16.731 7.454 ( 15.114 -0.812 7.130) 16.731 8.618 ( 2.093 -12.518 -3.105) 13.066 8.618 ( 2.093 -12.518 3.105) 13.066 9.253 ( -5.416 9.821 -13.245) 17.355 9.253 ( -5.416 9.821 13.245) 17.355 9.615 ( 0.306 0.346 -3.455) 3.486 9.615 ( 0.306 0.346 3.455) 3.486 10.067 ( -0.443 -18.195 -14.172) 23.067 10.067 ( -0.443 -18.195 14.172) 23.067 10.497 ( -12.210 -2.748 -1.711) 12.632 10.497 ( -12.210 -2.748 1.711) 12.632 11.295 ( 1.098 1.355 -20.797) 20.870 11.295 ( 1.098 1.355 20.797) 20.870 11.686 ( 5.381 0.522 -22.760) 23.393 11.686 ( 5.381 0.522 22.760) 23.393 12.180 ( -4.867 1.735 -3.906) 6.477 12.180 ( -4.867 1.735 3.906) 6.477 12.702 ( -6.708 2.273 -6.813) 9.828 12.702 ( -6.708 2.273 6.813) 9.828 12.946 ( -4.762 -0.998 -9.364) 10.552 12.946 ( -4.762 -0.998 9.364) 10.552 14.251 ( -0.004 -4.281 -6.269) 7.591 14.251 ( -0.004 -4.281 6.269) 7.591 15.203 ( 8.305 4.004 -4.582) 10.295 15.203 ( 8.305 4.004 4.582) 10.295 15.895 ( 2.105 2.879 -4.279) 5.570 15.895 ( 2.105 2.879 4.279) 5.570 16.677 ( -2.373 0.836 -3.113) 4.003 16.677 ( -2.373 0.836 3.113) 4.003 16.877 ( 3.654 1.379 -13.815) 14.357 16.877 ( 3.654 1.379 13.815) 14.357 17.256 ( -0.730 -1.145 -2.890) 3.193 17.256 ( -0.730 -1.145 2.890) 3.193 17.889 ( -2.602 -0.598 -12.889) 13.162 17.889 ( -2.602 -0.598 12.889) 13.162 20.168 ( -3.132 1.813 -2.163) 4.216 20.168 ( -3.132 1.813 2.163) 4.216 21.322 ( 14.322 -0.419 -4.370) 14.980 21.322 ( 14.322 -0.419 4.370) 14.980 22.117 ( -5.146 -1.477 -11.946) 13.091 22.117 ( -5.146 -1.477 11.946) 13.091 23.046 ( 2.158 2.041 -9.272) 9.736 23.046 ( 2.158 2.041 9.272) 9.736======================= Grid point 388 (122/125) =======================q-point: (-0.44 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 203Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.225 ( -0.943 0.050 -1.871) 2.096 4.225 ( -0.943 0.050 1.871) 2.096 4.364 ( -11.570 5.015 -4.625) 13.432 4.364 ( -11.570 5.015 4.625) 13.432 4.966 ( 11.820 -2.577 -3.551) 12.608 4.966 ( 11.820 -2.577 3.551) 12.608 5.264 ( -7.208 2.341 -4.037) 8.587 5.264 ( -7.208 2.341 4.037) 8.587 6.824 ( 0.887 15.862 -25.805) 30.303 6.824 ( 0.887 15.862 25.805) 30.303 7.608 ( 5.987 2.011 -6.483) 9.051 7.608 ( 5.987 2.011 6.483) 9.051 8.847 ( 6.439 3.541 -8.734) 11.414 8.847 ( 6.439 3.541 8.734) 11.414 9.141 ( -2.231 -15.036 -1.841) 15.312 9.141 ( -2.231 -15.036 1.841) 15.312 9.627 ( 3.701 0.152 -8.729) 9.482 9.627 ( 3.701 0.152 8.729) 9.482 10.171 ( -14.703 -1.375 -0.951) 14.798 10.171 ( -14.703 -1.375 0.951) 14.798 10.584 ( 2.083 -23.602 -14.687) 27.877 10.584 ( 2.083 -23.602 14.687) 27.877 11.281 ( 0.837 2.584 -25.946) 26.088 11.281 ( 0.837 2.584 25.946) 26.088 11.699 ( 2.036 6.680 -20.306) 21.473 11.699 ( 2.036 6.680 20.306) 21.473 12.105 ( -2.022 -0.281 -2.291) 3.068 12.105 ( -2.022 -0.281 2.291) 3.068 12.609 ( -3.750 0.357 -5.444) 6.620 12.609 ( -3.750 0.357 5.444) 6.620 12.940 ( -0.998 -4.050 -10.496) 11.294 12.940 ( -0.998 -4.050 10.496) 11.294 14.315 ( -1.080 -4.909 -6.783) 8.442 14.315 ( -1.080 -4.909 6.783) 8.442 15.239 ( 7.075 5.795 -2.160) 9.397 15.239 ( 7.075 5.795 2.160) 9.397 15.817 ( -1.546 7.870 -9.335) 12.307 15.817 ( -1.546 7.870 9.335) 12.307 16.569 ( -5.305 3.536 -1.659) 6.588 16.569 ( -5.305 3.536 1.659) 6.588 16.946 ( 6.017 0.778 -10.287) 11.943 16.946 ( 6.017 0.778 10.287) 11.943 17.256 ( -1.971 -1.429 -4.534) 5.147 17.256 ( -1.971 -1.429 4.534) 5.147 17.873 ( -1.403 -1.129 -11.598) 11.737 17.873 ( -1.403 -1.129 11.598) 11.737 20.096 ( -1.881 2.730 -3.324) 4.695 20.096 ( -1.881 2.730 3.324) 4.695 21.519 ( 12.355 1.088 -6.511) 14.008 21.519 ( 12.355 1.088 6.511) 14.008 22.052 ( -7.633 -3.072 -13.803) 16.069 22.052 ( -7.633 -3.072 13.803) 16.069 23.034 ( 1.738 3.399 -5.018) 6.305 23.034 ( 1.738 3.399 5.018) 6.305======================= Grid point 390 (123/125) =======================q-point: (-0.33 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.088 ( 0.000 9.302 -13.372) 16.289 4.088 ( 0.000 9.302 13.372) 16.289 4.190 ( 0.000 14.128 -4.203) 14.740 4.190 ( 0.000 14.128 4.203) 14.740 5.139 ( -0.000 -2.360 -6.387) 6.809 5.139 ( -0.000 -2.360 6.387) 6.809 5.199 ( -0.000 -7.698 -12.359) 14.560 5.199 ( -0.000 -7.698 12.359) 14.560 6.670 ( 0.000 5.431 -24.469) 25.064 6.670 ( 0.000 5.431 24.469) 25.064 7.601 ( 0.000 1.687 -8.888) 9.047 7.601 ( 0.000 1.687 8.888) 9.047 8.772 ( 0.000 6.268 -8.733) 10.749 8.772 ( 0.000 6.268 8.733) 10.749 9.405 ( -0.000 -6.594 -8.109) 10.452 9.405 ( -0.000 -6.594 8.109) 10.452 9.698 ( -0.000 -0.661 -11.082) 11.101 9.698 ( -0.000 -0.661 11.082) 11.101 10.051 ( -0.000 -10.405 -6.173) 12.098 10.051 ( -0.000 -10.405 6.173) 12.098 10.968 ( -0.000 -18.447 -12.053) 22.035 10.968 ( -0.000 -18.447 12.053) 22.035 11.235 ( 0.000 3.804 -26.344) 26.617 11.235 ( 0.000 3.804 26.344) 26.617 11.584 ( 0.000 5.620 -18.078) 18.932 11.584 ( 0.000 5.620 18.078) 18.932 12.140 ( -0.000 -5.196 -3.994) 6.554 12.140 ( -0.000 -5.196 3.994) 6.554 12.577 ( 0.000 0.147 -4.721) 4.723 12.577 ( 0.000 0.147 4.721) 4.723 13.033 ( -0.000 -8.079 -12.041) 14.500 13.033 ( -0.000 -8.079 12.041) 14.500 14.373 ( -0.000 -3.925 -7.726) 8.666 14.373 ( -0.000 -3.925 7.726) 8.666 15.209 ( 0.000 6.572 -1.370) 6.714 15.209 ( 0.000 6.572 1.370) 6.714 15.638 ( 0.000 11.896 -13.327) 17.864 15.638 ( 0.000 11.896 13.327) 17.864 16.454 ( 0.000 6.265 -1.667) 6.483 16.454 ( 0.000 6.265 1.667) 6.483 16.987 ( -0.000 -0.082 -6.311) 6.312 16.987 ( -0.000 -0.082 6.311) 6.312 17.260 ( -0.000 -1.398 -6.167) 6.324 17.260 ( -0.000 -1.398 6.167) 6.324 17.884 ( -0.000 -1.614 -9.611) 9.746 17.884 ( -0.000 -1.614 9.611) 9.746 20.039 ( 0.000 2.767 -3.884) 4.769 20.039 ( 0.000 2.767 3.884) 4.769 21.582 ( 0.000 3.340 -6.603) 7.399 21.582 ( 0.000 3.340 6.603) 7.399 22.039 ( -0.000 -3.297 -14.618) 14.985 22.039 ( -0.000 -3.297 14.618) 14.985 22.994 ( 0.000 3.345 -1.270) 3.578 22.994 ( 0.000 3.345 1.270) 3.578======================= Grid point 404 (124/125) =======================q-point: ( 0.44 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.168 ( 2.451 -0.000 -4.676) 5.279 4.168 ( 2.451 -0.000 4.676) 5.279 4.374 ( -14.501 0.000 -0.121) 14.502 4.374 ( -14.501 0.000 0.121) 14.502 4.973 ( 13.083 -0.000 -5.193) 14.076 4.973 ( 13.083 -0.000 5.193) 14.076 5.352 ( -6.859 0.000 -4.726) 8.329 5.352 ( -6.859 0.000 4.726) 8.329 7.250 ( 0.068 -0.000 -25.623) 25.623 7.250 ( 0.068 -0.000 25.623) 25.623 7.633 ( 10.445 -0.000 -2.166) 10.667 7.633 ( 10.445 -0.000 2.166) 10.667 8.490 ( 0.543 -0.000 -2.000) 2.072 8.490 ( 0.543 -0.000 2.000) 2.072 9.309 ( -4.844 0.000 -17.518) 18.175 9.309 ( -4.844 0.000 17.518) 18.175 9.625 ( 0.464 -0.000 -6.171) 6.188 9.625 ( 0.464 -0.000 6.171) 6.188 9.920 ( 6.296 -0.000 -1.940) 6.588 9.920 ( 6.296 -0.000 1.940) 6.588 10.281 ( -14.437 0.000 -8.978) 17.001 10.281 ( -14.437 0.000 8.978) 17.001 11.322 ( 0.935 -0.000 -28.744) 28.759 11.322 ( 0.935 -0.000 28.744) 28.759 11.775 ( 5.238 -0.000 -27.286) 27.785 11.775 ( 5.238 -0.000 27.286) 27.785 12.151 ( -2.073 0.000 -1.762) 2.721 12.151 ( -2.073 0.000 1.762) 2.721 12.620 ( -5.667 0.000 -6.109) 8.333 12.620 ( -5.667 0.000 6.109) 8.333 12.886 ( -2.346 0.000 -8.084) 8.417 12.886 ( -2.346 0.000 8.084) 8.417 14.222 ( 0.186 -0.000 -6.198) 6.201 14.222 ( 0.186 -0.000 6.198) 6.201 15.330 ( 5.156 -0.000 -1.288) 5.314 15.330 ( 5.156 -0.000 1.288) 5.314 15.947 ( 1.370 -0.000 -8.335) 8.447 15.947 ( 1.370 -0.000 8.335) 8.447 16.607 ( -5.627 0.000 -3.601) 6.681 16.607 ( -5.627 0.000 3.601) 6.681 16.978 ( 6.462 -0.000 -13.800) 15.238 16.978 ( 6.462 -0.000 13.800) 15.238 17.230 ( -1.810 0.000 -3.447) 3.893 17.230 ( -1.810 0.000 3.447) 3.893 17.855 ( -1.386 0.000 -13.476) 13.547 17.855 ( -1.386 0.000 13.476) 13.547 20.144 ( -1.978 0.000 -0.375) 2.013 20.144 ( -1.978 0.000 0.375) 2.013 21.529 ( 14.168 -0.000 -6.863) 15.743 21.529 ( 14.168 -0.000 6.863) 15.743 21.996 ( -9.294 0.000 -12.575) 15.637 21.996 ( -9.294 0.000 12.575) 15.637 23.094 ( 1.812 -0.000 -7.404) 7.622 23.094 ( 1.812 -0.000 7.404) 7.622======================= Grid point 406 (125/125) =======================q-point: (-0.44 0.44 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 Number of triplets: 115Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 4.181 ( -0.000 -1.225 -3.883) 4.072 4.181 ( -0.000 -1.225 3.883) 4.072 4.298 ( -0.000 -2.210 -6.458) 6.825 4.298 ( -0.000 -2.210 6.458) 6.825 5.100 ( 0.000 0.500 -6.412) 6.431 5.100 ( 0.000 0.500 6.412) 6.431 5.234 ( 0.000 4.569 -4.312) 6.283 5.234 ( 0.000 4.569 4.312) 6.283 7.092 ( 0.000 17.129 -27.257) 32.193 7.092 ( 0.000 17.129 27.257) 32.193 7.692 ( 0.000 2.092 -4.268) 4.754 7.692 ( 0.000 2.092 4.268) 4.754 8.710 ( -0.000 -23.928 -7.757) 25.154 8.710 ( -0.000 -23.928 7.757) 25.154 9.115 ( 0.000 14.897 -16.029) 21.882 9.115 ( 0.000 14.897 16.029) 21.882 9.655 ( -0.000 -1.873 -9.944) 10.118 9.655 ( -0.000 -1.873 9.944) 10.118 10.100 ( 0.000 3.588 -12.697) 13.194 10.100 ( 0.000 3.588 12.697) 13.194 10.213 ( -0.000 -22.596 -15.066) 27.158 10.213 ( -0.000 -22.596 15.066) 27.158 11.319 ( 0.000 1.341 -30.305) 30.335 11.319 ( 0.000 1.341 30.305) 30.335 11.798 ( 0.000 2.771 -27.027) 27.169 11.798 ( 0.000 2.771 27.027) 27.169 12.111 ( 0.000 2.545 -2.400) 3.498 12.111 ( 0.000 2.545 2.400) 3.498 12.579 ( -0.000 -0.199 -4.998) 5.002 12.579 ( -0.000 -0.199 4.998) 5.002 12.883 ( -0.000 -1.928 -8.502) 8.718 12.883 ( -0.000 -1.928 8.502) 8.718 14.247 ( -0.000 -3.006 -6.405) 7.075 14.247 ( -0.000 -3.006 6.405) 7.075 15.349 ( 0.000 2.504 -0.363) 2.530 15.349 ( 0.000 2.504 0.363) 2.530 15.916 ( 0.000 5.258 -11.260) 12.427 15.916 ( 0.000 5.258 11.260) 12.427 16.557 ( 0.000 0.822 -3.072) 3.181 16.557 ( 0.000 0.822 3.072) 3.181 17.019 ( 0.000 1.538 -13.469) 13.557 17.019 ( 0.000 1.538 13.469) 13.557 17.218 ( -0.000 -0.972 -3.656) 3.783 17.218 ( -0.000 -0.972 3.656) 3.783 17.850 ( -0.000 -0.570 -12.901) 12.914 17.850 ( -0.000 -0.570 12.901) 12.914 20.116 ( 0.000 1.708 -1.863) 2.527 20.116 ( 0.000 1.708 1.863) 2.527 21.655 ( 0.000 1.262 -7.269) 7.377 21.655 ( 0.000 1.262 7.269) 7.377 21.920 ( -0.000 -3.022 -13.642) 13.973 21.920 ( -0.000 -3.022 13.642) 13.973 23.091 ( 0.000 2.124 -6.018) 6.382 23.091 ( 0.000 2.124 6.018) 6.382=================== 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 3/34992 10.0 792.513 986.775 1119.204 0.000 0.000 0.000 3/34992 20.0 1314.127 1509.062 1555.533 0.000 0.000 0.000 3/34992 30.0 649.611 681.019 710.989 0.000 0.000 0.000 3/34992 40.0 366.936 365.408 415.092 0.000 0.000 0.000 3/34992 50.0 238.437 229.037 273.297 0.000 0.000 0.000 3/34992 60.0 165.758 154.491 189.946 0.000 0.000 0.000 3/34992 70.0 120.218 109.385 137.487 0.000 0.000 0.000 3/34992 80.0 90.344 80.726 103.219 0.000 0.000 0.000 3/34992 90.0 70.119 61.822 80.108 0.000 0.000 0.000 3/34992 100.0 56.020 48.911 64.036 0.000 0.000 0.000 3/34992 110.0 45.910 39.799 52.527 0.000 0.000 0.000 3/34992 120.0 38.464 33.172 44.057 0.000 0.000 0.000 3/34992 130.0 32.843 28.219 37.666 0.000 0.000 0.000 3/34992 140.0 28.505 24.425 32.734 0.000 0.000 0.000 3/34992 150.0 25.089 21.456 28.850 0.000 0.000 0.000 3/34992 160.0 22.349 19.087 25.734 0.000 0.000 0.000 3/34992 170.0 20.117 17.163 23.193 0.000 0.000 0.000 3/34992 180.0 18.271 15.577 21.092 0.000 0.000 0.000 3/34992 190.0 16.725 14.252 19.330 0.000 0.000 0.000 3/34992 200.0 15.415 13.131 17.836 0.000 0.000 0.000 3/34992 210.0 14.293 12.171 16.556 0.000 0.000 0.000 3/34992 220.0 13.323 11.343 15.448 0.000 0.000 0.000 3/34992 230.0 12.477 10.621 14.480 0.000 0.000 0.000 3/34992 240.0 11.733 9.986 13.630 0.000 0.000 0.000 3/34992 250.0 11.075 9.425 12.876 0.000 0.000 0.000 3/34992 260.0 10.489 8.925 12.203 0.000 0.000 0.000 3/34992 270.0 9.963 8.477 11.600 0.000 0.000 0.000 3/34992 280.0 9.490 8.073 11.056 0.000 0.000 0.000 3/34992 290.0 9.061 7.707 10.563 0.000 0.000 0.000 3/34992 300.0 8.670 7.374 10.114 0.000 0.000 0.000 3/34992 310.0 8.314 7.070 9.703 0.000 0.000 0.000 3/34992 320.0 7.987 6.791 9.326 0.000 0.000 0.000 3/34992 330.0 7.686 6.534 8.979 0.000 0.000 0.000 3/34992 340.0 7.407 6.297 8.658 0.000 0.000 0.000 3/34992 350.0 7.150 6.077 8.360 0.000 0.000 0.000 3/34992 360.0 6.910 5.873 8.083 0.000 0.000 0.000 3/34992 370.0 6.687 5.682 7.825 0.000 0.000 0.000 3/34992 380.0 6.478 5.504 7.583 0.000 0.000 0.000 3/34992 390.0 6.283 5.338 7.357 0.000 0.000 0.000 3/34992 400.0 6.099 5.181 7.144 0.000 0.000 0.000 3/34992 410.0 5.927 5.034 6.944 0.000 0.000 0.000 3/34992 420.0 5.764 4.896 6.756 0.000 0.000 0.000 3/34992 430.0 5.611 4.765 6.578 0.000 0.000 0.000 3/34992 440.0 5.466 4.641 6.409 0.000 0.000 0.000 3/34992 450.0 5.328 4.524 6.249 0.000 0.000 0.000 3/34992 460.0 5.198 4.413 6.098 0.000 0.000 0.000 3/34992 470.0 5.074 4.307 5.954 0.000 0.000 0.000 3/34992 480.0 4.956 4.207 5.817 0.000 0.000 0.000 3/34992 490.0 4.844 4.111 5.686 0.000 0.000 0.000 3/34992 500.0 4.737 4.020 5.561 0.000 0.000 0.000 3/34992 510.0 4.635 3.933 5.442 0.000 0.000 0.000 3/34992 520.0 4.537 3.849 5.328 0.000 0.000 0.000 3/34992 530.0 4.443 3.770 5.219 0.000 0.000 0.000 3/34992 540.0 4.354 3.693 5.115 0.000 0.000 0.000 3/34992 550.0 4.268 3.620 5.014 0.000 0.000 0.000 3/34992 560.0 4.185 3.550 4.918 0.000 0.000 0.000 3/34992 570.0 4.106 3.482 4.825 0.000 0.000 0.000 3/34992 580.0 4.030 3.417 4.736 0.000 0.000 0.000 3/34992 590.0 3.956 3.355 4.651 0.000 0.000 0.000 3/34992 600.0 3.886 3.295 4.568 0.000 0.000 0.000 3/34992 610.0 3.817 3.237 4.489 0.000 0.000 0.000 3/34992 620.0 3.752 3.181 4.412 0.000 0.000 0.000 3/34992 630.0 3.688 3.127 4.338 0.000 0.000 0.000 3/34992 640.0 3.627 3.075 4.266 0.000 0.000 0.000 3/34992 650.0 3.568 3.025 4.197 0.000 0.000 0.000 3/34992 660.0 3.511 2.976 4.130 0.000 0.000 0.000 3/34992 670.0 3.456 2.929 4.065 0.000 0.000 0.000 3/34992 680.0 3.402 2.883 4.003 0.000 0.000 0.000 3/34992 690.0 3.350 2.839 3.942 0.000 0.000 0.000 3/34992 700.0 3.300 2.796 3.883 0.000 0.000 0.000 3/34992 710.0 3.251 2.755 3.826 0.000 0.000 0.000 3/34992 720.0 3.204 2.715 3.771 0.000 0.000 0.000 3/34992 730.0 3.158 2.676 3.717 0.000 0.000 0.000 3/34992 740.0 3.113 2.638 3.665 0.000 0.000 0.000 3/34992 750.0 3.070 2.601 3.614 0.000 0.000 0.000 3/34992 760.0 3.028 2.565 3.564 0.000 0.000 0.000 3/34992 770.0 2.987 2.530 3.516 0.000 0.000 0.000 3/34992 780.0 2.947 2.497 3.470 0.000 0.000 0.000 3/34992 790.0 2.908 2.464 3.424 0.000 0.000 0.000 3/34992 800.0 2.870 2.432 3.380 0.000 0.000 0.000 3/34992 810.0 2.834 2.400 3.337 0.000 0.000 0.000 3/34992 820.0 2.798 2.370 3.295 0.000 0.000 0.000 3/34992 830.0 2.763 2.340 3.254 0.000 0.000 0.000 3/34992 840.0 2.729 2.312 3.214 0.000 0.000 0.000 3/34992 850.0 2.696 2.283 3.175 0.000 0.000 0.000 3/34992 860.0 2.664 2.256 3.137 0.000 0.000 0.000 3/34992 870.0 2.632 2.229 3.100 0.000 0.000 0.000 3/34992 880.0 2.601 2.203 3.064 0.000 0.000 0.000 3/34992 890.0 2.571 2.177 3.029 0.000 0.000 0.000 3/34992 900.0 2.542 2.152 2.994 0.000 0.000 0.000 3/34992 910.0 2.513 2.128 2.961 0.000 0.000 0.000 3/34992 920.0 2.485 2.104 2.928 0.000 0.000 0.000 3/34992 930.0 2.457 2.081 2.895 0.000 0.000 0.000 3/34992 940.0 2.431 2.058 2.864 0.000 0.000 0.000 3/34992 950.0 2.404 2.036 2.833 0.000 0.000 0.000 3/34992 960.0 2.379 2.014 2.803 0.000 0.000 0.000 3/34992 970.0 2.354 1.993 2.773 0.000 0.000 0.000 3/34992 980.0 2.329 1.972 2.745 0.000 0.000 0.000 3/34992 990.0 2.305 1.952 2.716 0.000 0.000 0.000 3/34992 1000.0 2.281 1.932 2.689 0.000 0.000 0.000 3/34992Thermal conductivity related properties were written into "kappa-m998.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 20:22:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|