# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/7f874aad-e090-4321-85b7-c3d8e4e6d0d7/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 Rb2NbAgS4 / Fddd (70) / materials id 14636](https://mdr.nims.go.jp/datasets/344563a3-1a5a-48fe-960e-0bcf94f02ffe) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 00:47:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]Spacegroup: Fddd (70)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a 0.000000000000000 6.766044325000002 11.697319499999999 b 2.921497554999999 0.000000000000000 11.697319499999999 c 2.921497554999999 6.766044325000002 0.000000000000000Atomic positions (fractional): *1 S 0.37794310304368 0.73568617344911 0.82344317374055 32.065 2 S 0.06292754976666 0.82344317374055 0.73568617344911 32.065 3 S 0.82344317374055 0.06292754976666 0.37794310304368 32.065 4 S 0.73568617344911 0.37794310304368 0.06292754976666 32.065 5 S 0.87205689695632 0.51431382655089 0.42655682625945 32.065 6 S 0.51431382655089 0.87205689695632 0.18707245023334 32.065 7 S 0.42655682625945 0.18707245023334 0.87205689695632 32.065 8 S 0.18707245023334 0.42655682625945 0.51431382655089 32.065 *9 Rb 0.43007724443995 0.43007724443995 0.06992275556005 85.468 10 Rb 0.81992275556005 0.81992275556005 0.18007724443995 85.468 11 Rb 0.06992275556005 0.06992275556005 0.43007724443995 85.468 12 Rb 0.18007724443995 0.18007724443995 0.81992275556005 85.468 *13 Nb 0.00000000000000 0.00000000000000 0.00000000000000 92.906 14 Nb 0.25000000000000 0.25000000000000 0.25000000000000 92.906 *15 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 16 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.842995109999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.532088650000004 0.000000000000000 c 0.000000000000000 0.000000000000000 23.394638999999998Atomic positions (fractional): *1 S 0.77956467359483 0.60069313839212 0.55681463824639 32.065 > 1 2 S 0.77956467359483 0.89930686160788 0.94318536175361 32.065 > 2 3 S 0.72043532640517 0.60069313839212 0.94318536175361 32.065 > 3 4 S 0.72043532640517 0.89930686160788 0.55681463824639 32.065 > 4 5 S 0.47043532640517 0.64930686160788 0.69318536175361 32.065 > 5 6 S 0.02956467359483 0.85069313839212 0.69318536175361 32.065 > 6 7 S 0.02956467359483 0.64930686160788 0.80681463824639 32.065 > 7 8 S 0.47043532640517 0.85069313839212 0.80681463824639 32.065 > 8 9 S 0.77956467359483 0.10069313839212 0.05681463824639 32.065 > 1 10 S 0.77956467359483 0.39930686160788 0.44318536175361 32.065 > 2 11 S 0.72043532640517 0.10069313839212 0.44318536175361 32.065 > 3 12 S 0.72043532640517 0.39930686160788 0.05681463824639 32.065 > 4 13 S 0.47043532640517 0.14930686160788 0.19318536175361 32.065 > 5 14 S 0.02956467359483 0.35069313839212 0.19318536175361 32.065 > 6 15 S 0.02956467359483 0.14930686160788 0.30681463824639 32.065 > 7 16 S 0.47043532640517 0.35069313839212 0.30681463824639 32.065 > 8 17 S 0.27956467359483 0.60069313839212 0.05681463824639 32.065 > 1 18 S 0.27956467359483 0.89930686160788 0.44318536175361 32.065 > 2 19 S 0.22043532640517 0.60069313839212 0.44318536175361 32.065 > 3 20 S 0.22043532640517 0.89930686160788 0.05681463824639 32.065 > 4 21 S 0.97043532640517 0.64930686160788 0.19318536175361 32.065 > 5 22 S 0.52956467359483 0.85069313839212 0.19318536175361 32.065 > 6 23 S 0.52956467359483 0.64930686160788 0.30681463824639 32.065 > 7 24 S 0.97043532640517 0.85069313839212 0.30681463824639 32.065 > 8 25 S 0.27956467359483 0.10069313839212 0.55681463824639 32.065 > 1 26 S 0.27956467359483 0.39930686160788 0.94318536175361 32.065 > 2 27 S 0.22043532640517 0.10069313839212 0.94318536175361 32.065 > 3 28 S 0.22043532640517 0.39930686160788 0.55681463824639 32.065 > 4 29 S 0.97043532640517 0.14930686160788 0.69318536175361 32.065 > 5 30 S 0.52956467359483 0.35069313839212 0.69318536175361 32.065 > 6 31 S 0.52956467359483 0.14930686160788 0.80681463824639 32.065 > 7 32 S 0.97043532640517 0.35069313839212 0.80681463824639 32.065 > 8 *33 Rb 0.25000000000000 0.75000000000000 0.93007724443995 85.468 > 9 34 Rb 0.00000000000000 0.00000000000000 0.81992275556005 85.468 > 10 35 Rb 0.25000000000000 0.75000000000000 0.56992275556005 85.468 > 11 36 Rb 0.50000000000000 0.00000000000000 0.68007724443995 85.468 > 12 37 Rb 0.25000000000000 0.25000000000000 0.43007724443995 85.468 > 9 38 Rb 0.00000000000000 0.50000000000000 0.31992275556005 85.468 > 10 39 Rb 0.25000000000000 0.25000000000000 0.06992275556005 85.468 > 11 40 Rb 0.50000000000000 0.50000000000000 0.18007724443995 85.468 > 12 41 Rb 0.75000000000000 0.75000000000000 0.43007724443995 85.468 > 9 42 Rb 0.50000000000000 0.00000000000000 0.31992275556005 85.468 > 10 43 Rb 0.75000000000000 0.75000000000000 0.06992275556005 85.468 > 11 44 Rb 0.00000000000000 0.00000000000000 0.18007724443995 85.468 > 12 45 Rb 0.75000000000000 0.25000000000000 0.93007724443995 85.468 > 9 46 Rb 0.50000000000000 0.50000000000000 0.81992275556005 85.468 > 10 47 Rb 0.75000000000000 0.25000000000000 0.56992275556005 85.468 > 11 48 Rb 0.00000000000000 0.50000000000000 0.68007724443995 85.468 > 12 *49 Nb 0.00000000000000 0.00000000000000 0.00000000000000 92.906 > 13 50 Nb 0.25000000000000 0.75000000000000 0.75000000000000 92.906 > 14 51 Nb 0.00000000000000 0.50000000000000 0.50000000000000 92.906 > 13 52 Nb 0.25000000000000 0.25000000000000 0.25000000000000 92.906 > 14 53 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 > 13 54 Nb 0.75000000000000 0.75000000000000 0.25000000000000 92.906 > 14 55 Nb 0.50000000000000 0.50000000000000 0.00000000000000 92.906 > 13 56 Nb 0.75000000000000 0.25000000000000 0.75000000000000 92.906 > 14 *57 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 15 58 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868 > 16 59 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 15 60 Ag 0.75000000000000 0.25000000000000 0.25000000000000 107.868 > 16 61 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 15 62 Ag 0.25000000000000 0.75000000000000 0.25000000000000 107.868 > 16 63 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 15 64 Ag 0.25000000000000 0.25000000000000 0.75000000000000 107.868 > 16-------------------------------- super cell --------------------------------Lattice vectors: a 11.685990219999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.532088650000004 0.000000000000000 c 0.000000000000000 0.000000000000000 23.394638999999998Atomic positions (fractional): *1 S 0.38978233679741 0.60069313839212 0.55681463824639 32.065 > 1 2 S 0.88978233679741 0.60069313839212 0.55681463824639 32.065 > 1 3 S 0.38978233679741 0.89930686160788 0.94318536175361 32.065 > 2 4 S 0.88978233679741 0.89930686160788 0.94318536175361 32.065 > 2 5 S 0.36021766320259 0.60069313839212 0.94318536175361 32.065 > 3 6 S 0.86021766320259 0.60069313839212 0.94318536175361 32.065 > 3 7 S 0.36021766320259 0.89930686160788 0.55681463824639 32.065 > 4 8 S 0.86021766320259 0.89930686160788 0.55681463824639 32.065 > 4 9 S 0.23521766320258 0.64930686160788 0.69318536175361 32.065 > 5 10 S 0.73521766320258 0.64930686160788 0.69318536175361 32.065 > 5 11 S 0.01478233679742 0.85069313839212 0.69318536175361 32.065 > 6 12 S 0.51478233679742 0.85069313839212 0.69318536175361 32.065 > 6 13 S 0.01478233679742 0.64930686160788 0.80681463824639 32.065 > 7 14 S 0.51478233679742 0.64930686160788 0.80681463824639 32.065 > 7 15 S 0.23521766320258 0.85069313839212 0.80681463824639 32.065 > 8 16 S 0.73521766320258 0.85069313839212 0.80681463824639 32.065 > 8 17 S 0.38978233679741 0.10069313839212 0.05681463824639 32.065 > 1 18 S 0.88978233679741 0.10069313839212 0.05681463824639 32.065 > 1 19 S 0.38978233679741 0.39930686160788 0.44318536175361 32.065 > 2 20 S 0.88978233679741 0.39930686160788 0.44318536175361 32.065 > 2 21 S 0.36021766320259 0.10069313839212 0.44318536175361 32.065 > 3 22 S 0.86021766320259 0.10069313839212 0.44318536175361 32.065 > 3 23 S 0.36021766320259 0.39930686160788 0.05681463824639 32.065 > 4 24 S 0.86021766320259 0.39930686160788 0.05681463824639 32.065 > 4 25 S 0.23521766320258 0.14930686160788 0.19318536175361 32.065 > 5 26 S 0.73521766320258 0.14930686160788 0.19318536175361 32.065 > 5 27 S 0.01478233679742 0.35069313839212 0.19318536175361 32.065 > 6 28 S 0.51478233679742 0.35069313839212 0.19318536175361 32.065 > 6 29 S 0.01478233679742 0.14930686160788 0.30681463824639 32.065 > 7 30 S 0.51478233679742 0.14930686160788 0.30681463824639 32.065 > 7 31 S 0.23521766320258 0.35069313839212 0.30681463824639 32.065 > 8 32 S 0.73521766320258 0.35069313839212 0.30681463824639 32.065 > 8 33 S 0.13978233679742 0.60069313839212 0.05681463824639 32.065 > 1 34 S 0.63978233679742 0.60069313839212 0.05681463824639 32.065 > 1 35 S 0.13978233679742 0.89930686160788 0.44318536175361 32.065 > 2 36 S 0.63978233679742 0.89930686160788 0.44318536175361 32.065 > 2 37 S 0.11021766320258 0.60069313839212 0.44318536175361 32.065 > 3 38 S 0.61021766320258 0.60069313839212 0.44318536175361 32.065 > 3 39 S 0.11021766320258 0.89930686160788 0.05681463824639 32.065 > 4 40 S 0.61021766320258 0.89930686160788 0.05681463824639 32.065 > 4 41 S 0.48521766320259 0.64930686160788 0.19318536175361 32.065 > 5 42 S 0.98521766320259 0.64930686160788 0.19318536175361 32.065 > 5 43 S 0.26478233679741 0.85069313839212 0.19318536175361 32.065 > 6 44 S 0.76478233679741 0.85069313839212 0.19318536175361 32.065 > 6 45 S 0.26478233679741 0.64930686160788 0.30681463824639 32.065 > 7 46 S 0.76478233679741 0.64930686160788 0.30681463824639 32.065 > 7 47 S 0.48521766320259 0.85069313839212 0.30681463824639 32.065 > 8 48 S 0.98521766320259 0.85069313839212 0.30681463824639 32.065 > 8 49 S 0.13978233679742 0.10069313839212 0.55681463824639 32.065 > 1 50 S 0.63978233679742 0.10069313839212 0.55681463824639 32.065 > 1 51 S 0.13978233679742 0.39930686160788 0.94318536175361 32.065 > 2 52 S 0.63978233679742 0.39930686160788 0.94318536175361 32.065 > 2 53 S 0.11021766320258 0.10069313839212 0.94318536175361 32.065 > 3 54 S 0.61021766320258 0.10069313839212 0.94318536175361 32.065 > 3 55 S 0.11021766320258 0.39930686160788 0.55681463824639 32.065 > 4 56 S 0.61021766320258 0.39930686160788 0.55681463824639 32.065 > 4 57 S 0.48521766320259 0.14930686160788 0.69318536175361 32.065 > 5 58 S 0.98521766320259 0.14930686160788 0.69318536175361 32.065 > 5 59 S 0.26478233679741 0.35069313839212 0.69318536175361 32.065 > 6 60 S 0.76478233679741 0.35069313839212 0.69318536175361 32.065 > 6 61 S 0.26478233679741 0.14930686160788 0.80681463824639 32.065 > 7 62 S 0.76478233679741 0.14930686160788 0.80681463824639 32.065 > 7 63 S 0.48521766320259 0.35069313839212 0.80681463824639 32.065 > 8 64 S 0.98521766320259 0.35069313839212 0.80681463824639 32.065 > 8 *65 Rb 0.12500000000000 0.75000000000000 0.93007724443995 85.468 > 9 66 Rb 0.62500000000000 0.75000000000000 0.93007724443995 85.468 > 9 67 Rb 0.00000000000000 0.00000000000000 0.81992275556005 85.468 > 10 68 Rb 0.50000000000000 0.00000000000000 0.81992275556005 85.468 > 10 69 Rb 0.12500000000000 0.75000000000000 0.56992275556005 85.468 > 11 70 Rb 0.62500000000000 0.75000000000000 0.56992275556005 85.468 > 11 71 Rb 0.25000000000000 0.00000000000000 0.68007724443995 85.468 > 12 72 Rb 0.75000000000000 0.00000000000000 0.68007724443995 85.468 > 12 73 Rb 0.12500000000000 0.25000000000000 0.43007724443995 85.468 > 9 74 Rb 0.62500000000000 0.25000000000000 0.43007724443995 85.468 > 9 75 Rb 0.00000000000000 0.50000000000000 0.31992275556005 85.468 > 10 76 Rb 0.50000000000000 0.50000000000000 0.31992275556005 85.468 > 10 77 Rb 0.12500000000000 0.25000000000000 0.06992275556005 85.468 > 11 78 Rb 0.62500000000000 0.25000000000000 0.06992275556005 85.468 > 11 79 Rb 0.25000000000000 0.50000000000000 0.18007724443995 85.468 > 12 80 Rb 0.75000000000000 0.50000000000000 0.18007724443995 85.468 > 12 81 Rb 0.37500000000000 0.75000000000000 0.43007724443995 85.468 > 9 82 Rb 0.87500000000000 0.75000000000000 0.43007724443995 85.468 > 9 83 Rb 0.25000000000000 0.00000000000000 0.31992275556005 85.468 > 10 84 Rb 0.75000000000000 0.00000000000000 0.31992275556005 85.468 > 10 85 Rb 0.37500000000000 0.75000000000000 0.06992275556005 85.468 > 11 86 Rb 0.87500000000000 0.75000000000000 0.06992275556005 85.468 > 11 87 Rb 0.00000000000000 0.00000000000000 0.18007724443995 85.468 > 12 88 Rb 0.50000000000000 0.00000000000000 0.18007724443995 85.468 > 12 89 Rb 0.37500000000000 0.25000000000000 0.93007724443995 85.468 > 9 90 Rb 0.87500000000000 0.25000000000000 0.93007724443995 85.468 > 9 91 Rb 0.25000000000000 0.50000000000000 0.81992275556005 85.468 > 10 92 Rb 0.75000000000000 0.50000000000000 0.81992275556005 85.468 > 10 93 Rb 0.37500000000000 0.25000000000000 0.56992275556005 85.468 > 11 94 Rb 0.87500000000000 0.25000000000000 0.56992275556005 85.468 > 11 95 Rb 0.00000000000000 0.50000000000000 0.68007724443995 85.468 > 12 96 Rb 0.50000000000000 0.50000000000000 0.68007724443995 85.468 > 12 *97 Nb 0.00000000000000 0.00000000000000 0.00000000000000 92.906 > 13 98 Nb 0.50000000000000 0.00000000000000 0.00000000000000 92.906 > 13 99 Nb 0.12500000000000 0.75000000000000 0.75000000000000 92.906 > 14 100 Nb 0.62500000000000 0.75000000000000 0.75000000000000 92.906 > 14 101 Nb 0.00000000000000 0.50000000000000 0.50000000000000 92.906 > 13 102 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 > 13 103 Nb 0.12500000000000 0.25000000000000 0.25000000000000 92.906 > 14 104 Nb 0.62500000000000 0.25000000000000 0.25000000000000 92.906 > 14 105 Nb 0.25000000000000 0.00000000000000 0.50000000000000 92.906 > 13 106 Nb 0.75000000000000 0.00000000000000 0.50000000000000 92.906 > 13 107 Nb 0.37500000000000 0.75000000000000 0.25000000000000 92.906 > 14 108 Nb 0.87500000000000 0.75000000000000 0.25000000000000 92.906 > 14 109 Nb 0.25000000000000 0.50000000000000 0.00000000000000 92.906 > 13 110 Nb 0.75000000000000 0.50000000000000 0.00000000000000 92.906 > 13 111 Nb 0.37500000000000 0.25000000000000 0.75000000000000 92.906 > 14 112 Nb 0.87500000000000 0.25000000000000 0.75000000000000 92.906 > 14 *113 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 15 114 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 15 115 Ag 0.37500000000000 0.75000000000000 0.75000000000000 107.868 > 16 116 Ag 0.87500000000000 0.75000000000000 0.75000000000000 107.868 > 16 117 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 15 118 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 15 119 Ag 0.37500000000000 0.25000000000000 0.25000000000000 107.868 > 16 120 Ag 0.87500000000000 0.25000000000000 0.25000000000000 107.868 > 16 121 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 15 122 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 15 123 Ag 0.12500000000000 0.75000000000000 0.25000000000000 107.868 > 16 124 Ag 0.62500000000000 0.75000000000000 0.25000000000000 107.868 > 16 125 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 15 126 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 15 127 Ag 0.12500000000000 0.25000000000000 0.75000000000000 107.868 > 16 128 Ag 0.62500000000000 0.25000000000000 0.75000000000000 107.868 > 16----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2148955 0.0000000 0.0000000 0.0000000 4.0144437 0.0000000 0.0000000 0.0000000 3.7684717-------------------------- Born effective charges -------------------------- 1 S -1.4873597 0.8594819 0.7102473 0.3890114 -1.2360144 -0.6822637 0.2464367 -0.5718095 -1.0799134 2 S -1.4873597 -0.8594819 -0.7102473 -0.3890114 -1.2360144 -0.6822637 -0.2464367 -0.5718095 -1.0799134 3 S -1.4873597 -0.8594819 0.7102473 -0.3890114 -1.2360144 0.6822637 0.2464367 0.5718095 -1.0799134 4 S -1.4873597 0.8594819 -0.7102473 0.3890114 -1.2360144 0.6822637 -0.2464367 0.5718095 -1.0799134 5 S -1.4873597 0.8594819 0.7102473 0.3890114 -1.2360144 -0.6822637 0.2464367 -0.5718095 -1.0799134 6 S -1.4873597 0.8594819 -0.7102473 0.3890114 -1.2360144 0.6822637 -0.2464367 0.5718095 -1.0799134 7 S -1.4873597 -0.8594819 0.7102473 -0.3890114 -1.2360144 0.6822637 0.2464367 0.5718095 -1.0799134 8 S -1.4873597 -0.8594819 -0.7102473 -0.3890114 -1.2360144 -0.6822637 -0.2464367 -0.5718095 -1.0799134 9 Rb 1.1889397 -0.0065837 0.0000000 -0.0653835 1.3809277 0.0000000 0.0000000 0.0000000 1.3131715 10 Rb 1.1889397 -0.0065837 0.0000000 -0.0653835 1.3809277 0.0000000 0.0000000 0.0000000 1.3131715 11 Rb 1.1889397 0.0065837 0.0000000 0.0653835 1.3809277 0.0000000 0.0000000 0.0000000 1.3131715 12 Rb 1.1889397 0.0065837 0.0000000 0.0653835 1.3809277 0.0000000 0.0000000 0.0000000 1.3131715 13 Nb 3.5120334 0.0000000 0.0000000 0.0000000 1.7819617 0.0000000 0.0000000 0.0000000 1.2910995 14 Nb 3.5120334 0.0000000 0.0000000 0.0000000 1.7819617 0.0000000 0.0000000 0.0000000 1.2910995 15 Ag 0.0595258 0.0000000 0.0000000 0.0000000 0.4002404 0.0000000 0.0000000 0.0000000 0.4022109 16 Ag 0.0595258 0.0000000 0.0000000 0.0000000 0.4002404 0.0000000 0.0000000 0.0000000 0.4022109----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 384/384Permutation basis: 11640/11640Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1262Number of blocks in projector: 1262Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 260Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 244Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 236Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 174Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 174Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 174Use standard eigh solver.Tree of FC basis block matrices:- (1262, 1242), data: False|-- (174, 170), data: True|-- (174, 170), data: True|-- (174, 170), data: True|-- (236, 234), data: True|-- (244, 242), data: True|-- (260, 256), data: True-----Solver_atoms: 1 -- 128 / 128Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 240 - Time: 1.713Solver_block: 200 / 240 - Time: 1.741Solver_block: 240 / 240 - Time: 0.757Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.242--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384Permutation basis: 11640/11640Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1262Number of blocks in projector: 1262Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 260Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 244Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 236Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 174Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 174Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 174Use standard eigh solver.Tree of FC basis block matrices:- (1262, 1242), data: False|-- (174, 170), data: True|-- (174, 170), data: True|-- (174, 170), data: True|-- (236, 234), data: True|-- (244, 242), data: True|-- (260, 256), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 00:47:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 00:47:35]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 1]Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]Spacegroup: Fddd (70)------------------------------ primitive cell ------------------------------Lattice vectors: a 0.000000000000000 6.766044325000002 11.697319499999999 b 2.921497554999999 0.000000000000000 11.697319499999999 c 2.921497554999999 6.766044325000002 0.000000000000000Atomic positions (fractional): 1 S 0.37794310304368 0.73568617344911 0.82344317374055 32.065 2 S 0.06292754976666 0.82344317374055 0.73568617344911 32.065 3 S 0.82344317374055 0.06292754976666 0.37794310304368 32.065 4 S 0.73568617344911 0.37794310304368 0.06292754976666 32.065 5 S 0.87205689695632 0.51431382655089 0.42655682625945 32.065 6 S 0.51431382655089 0.87205689695632 0.18707245023334 32.065 7 S 0.42655682625945 0.18707245023334 0.87205689695632 32.065 8 S 0.18707245023334 0.42655682625945 0.51431382655089 32.065 9 Rb 0.43007724443995 0.43007724443995 0.06992275556005 85.468 10 Rb 0.81992275556005 0.81992275556005 0.18007724443995 85.468 11 Rb 0.06992275556005 0.06992275556005 0.43007724443995 85.468 12 Rb 0.18007724443995 0.18007724443995 0.81992275556005 85.468 13 Nb 0.00000000000000 0.00000000000000 0.00000000000000 92.906 14 Nb 0.25000000000000 0.25000000000000 0.25000000000000 92.906 15 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 16 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868-------------------------------- supercell ---------------------------------Lattice vectors: a 11.685990219999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.532088650000004 0.000000000000000 c 0.000000000000000 0.000000000000000 23.394638999999998Atomic positions (fractional): 1 S 0.38978233679741 0.60069313839212 0.55681463824639 32.065 > 1 2 S 0.88978233679741 0.60069313839212 0.55681463824639 32.065 > 1 3 S 0.38978233679741 0.89930686160788 0.94318536175361 32.065 > 3 4 S 0.88978233679741 0.89930686160788 0.94318536175361 32.065 > 3 5 S 0.36021766320259 0.60069313839212 0.94318536175361 32.065 > 5 6 S 0.86021766320259 0.60069313839212 0.94318536175361 32.065 > 5 7 S 0.36021766320259 0.89930686160788 0.55681463824639 32.065 > 7 8 S 0.86021766320259 0.89930686160788 0.55681463824639 32.065 > 7 9 S 0.23521766320258 0.64930686160788 0.69318536175361 32.065 > 9 10 S 0.73521766320258 0.64930686160788 0.69318536175361 32.065 > 9 11 S 0.01478233679742 0.85069313839212 0.69318536175361 32.065 > 11 12 S 0.51478233679742 0.85069313839212 0.69318536175361 32.065 > 11 13 S 0.01478233679742 0.64930686160788 0.80681463824639 32.065 > 13 14 S 0.51478233679742 0.64930686160788 0.80681463824639 32.065 > 13 15 S 0.23521766320258 0.85069313839212 0.80681463824639 32.065 > 15 16 S 0.73521766320258 0.85069313839212 0.80681463824639 32.065 > 15 17 S 0.38978233679741 0.10069313839212 0.05681463824639 32.065 > 1 18 S 0.88978233679741 0.10069313839212 0.05681463824639 32.065 > 1 19 S 0.38978233679741 0.39930686160788 0.44318536175361 32.065 > 3 20 S 0.88978233679741 0.39930686160788 0.44318536175361 32.065 > 3 21 S 0.36021766320259 0.10069313839212 0.44318536175361 32.065 > 5 22 S 0.86021766320259 0.10069313839212 0.44318536175361 32.065 > 5 23 S 0.36021766320259 0.39930686160788 0.05681463824639 32.065 > 7 24 S 0.86021766320259 0.39930686160788 0.05681463824639 32.065 > 7 25 S 0.23521766320258 0.14930686160788 0.19318536175361 32.065 > 9 26 S 0.73521766320258 0.14930686160788 0.19318536175361 32.065 > 9 27 S 0.01478233679742 0.35069313839212 0.19318536175361 32.065 > 11 28 S 0.51478233679742 0.35069313839212 0.19318536175361 32.065 > 11 29 S 0.01478233679742 0.14930686160788 0.30681463824639 32.065 > 13 30 S 0.51478233679742 0.14930686160788 0.30681463824639 32.065 > 13 31 S 0.23521766320258 0.35069313839212 0.30681463824639 32.065 > 15 32 S 0.73521766320258 0.35069313839212 0.30681463824639 32.065 > 15 33 S 0.13978233679742 0.60069313839212 0.05681463824639 32.065 > 1 34 S 0.63978233679742 0.60069313839212 0.05681463824639 32.065 > 1 35 S 0.13978233679742 0.89930686160788 0.44318536175361 32.065 > 3 36 S 0.63978233679742 0.89930686160788 0.44318536175361 32.065 > 3 37 S 0.11021766320258 0.60069313839212 0.44318536175361 32.065 > 5 38 S 0.61021766320258 0.60069313839212 0.44318536175361 32.065 > 5 39 S 0.11021766320258 0.89930686160788 0.05681463824639 32.065 > 7 40 S 0.61021766320258 0.89930686160788 0.05681463824639 32.065 > 7 41 S 0.48521766320259 0.64930686160788 0.19318536175361 32.065 > 9 42 S 0.98521766320259 0.64930686160788 0.19318536175361 32.065 > 9 43 S 0.26478233679741 0.85069313839212 0.19318536175361 32.065 > 11 44 S 0.76478233679741 0.85069313839212 0.19318536175361 32.065 > 11 45 S 0.26478233679741 0.64930686160788 0.30681463824639 32.065 > 13 46 S 0.76478233679741 0.64930686160788 0.30681463824639 32.065 > 13 47 S 0.48521766320259 0.85069313839212 0.30681463824639 32.065 > 15 48 S 0.98521766320259 0.85069313839212 0.30681463824639 32.065 > 15 49 S 0.13978233679742 0.10069313839212 0.55681463824639 32.065 > 1 50 S 0.63978233679742 0.10069313839212 0.55681463824639 32.065 > 1 51 S 0.13978233679742 0.39930686160788 0.94318536175361 32.065 > 3 52 S 0.63978233679742 0.39930686160788 0.94318536175361 32.065 > 3 53 S 0.11021766320258 0.10069313839212 0.94318536175361 32.065 > 5 54 S 0.61021766320258 0.10069313839212 0.94318536175361 32.065 > 5 55 S 0.11021766320258 0.39930686160788 0.55681463824639 32.065 > 7 56 S 0.61021766320258 0.39930686160788 0.55681463824639 32.065 > 7 57 S 0.48521766320259 0.14930686160788 0.69318536175361 32.065 > 9 58 S 0.98521766320259 0.14930686160788 0.69318536175361 32.065 > 9 59 S 0.26478233679741 0.35069313839212 0.69318536175361 32.065 > 11 60 S 0.76478233679741 0.35069313839212 0.69318536175361 32.065 > 11 61 S 0.26478233679741 0.14930686160788 0.80681463824639 32.065 > 13 62 S 0.76478233679741 0.14930686160788 0.80681463824639 32.065 > 13 63 S 0.48521766320259 0.35069313839212 0.80681463824639 32.065 > 15 64 S 0.98521766320259 0.35069313839212 0.80681463824639 32.065 > 15 65 Rb 0.12500000000000 0.75000000000000 0.93007724443995 85.468 > 65 66 Rb 0.62500000000000 0.75000000000000 0.93007724443995 85.468 > 65 67 Rb 0.00000000000000 0.00000000000000 0.81992275556005 85.468 > 67 68 Rb 0.50000000000000 0.00000000000000 0.81992275556005 85.468 > 67 69 Rb 0.12500000000000 0.75000000000000 0.56992275556005 85.468 > 69 70 Rb 0.62500000000000 0.75000000000000 0.56992275556005 85.468 > 69 71 Rb 0.25000000000000 0.00000000000000 0.68007724443995 85.468 > 71 72 Rb 0.75000000000000 0.00000000000000 0.68007724443995 85.468 > 71 73 Rb 0.12500000000000 0.25000000000000 0.43007724443995 85.468 > 65 74 Rb 0.62500000000000 0.25000000000000 0.43007724443995 85.468 > 65 75 Rb 0.00000000000000 0.50000000000000 0.31992275556005 85.468 > 67 76 Rb 0.50000000000000 0.50000000000000 0.31992275556005 85.468 > 67 77 Rb 0.12500000000000 0.25000000000000 0.06992275556005 85.468 > 69 78 Rb 0.62500000000000 0.25000000000000 0.06992275556005 85.468 > 69 79 Rb 0.25000000000000 0.50000000000000 0.18007724443995 85.468 > 71 80 Rb 0.75000000000000 0.50000000000000 0.18007724443995 85.468 > 71 81 Rb 0.37500000000000 0.75000000000000 0.43007724443995 85.468 > 65 82 Rb 0.87500000000000 0.75000000000000 0.43007724443995 85.468 > 65 83 Rb 0.25000000000000 0.00000000000000 0.31992275556005 85.468 > 67 84 Rb 0.75000000000000 0.00000000000000 0.31992275556005 85.468 > 67 85 Rb 0.37500000000000 0.75000000000000 0.06992275556005 85.468 > 69 86 Rb 0.87500000000000 0.75000000000000 0.06992275556005 85.468 > 69 87 Rb 0.00000000000000 0.00000000000000 0.18007724443995 85.468 > 71 88 Rb 0.50000000000000 0.00000000000000 0.18007724443995 85.468 > 71 89 Rb 0.37500000000000 0.25000000000000 0.93007724443995 85.468 > 65 90 Rb 0.87500000000000 0.25000000000000 0.93007724443995 85.468 > 65 91 Rb 0.25000000000000 0.50000000000000 0.81992275556005 85.468 > 67 92 Rb 0.75000000000000 0.50000000000000 0.81992275556005 85.468 > 67 93 Rb 0.37500000000000 0.25000000000000 0.56992275556005 85.468 > 69 94 Rb 0.87500000000000 0.25000000000000 0.56992275556005 85.468 > 69 95 Rb 0.00000000000000 0.50000000000000 0.68007724443995 85.468 > 71 96 Rb 0.50000000000000 0.50000000000000 0.68007724443995 85.468 > 71 97 Nb 0.00000000000000 0.00000000000000 0.00000000000000 92.906 > 97 98 Nb 0.50000000000000 0.00000000000000 0.00000000000000 92.906 > 97 99 Nb 0.12500000000000 0.75000000000000 0.75000000000000 92.906 > 99 100 Nb 0.62500000000000 0.75000000000000 0.75000000000000 92.906 > 99 101 Nb 0.00000000000000 0.50000000000000 0.50000000000000 92.906 > 97 102 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 > 97 103 Nb 0.12500000000000 0.25000000000000 0.25000000000000 92.906 > 99 104 Nb 0.62500000000000 0.25000000000000 0.25000000000000 92.906 > 99 105 Nb 0.25000000000000 0.00000000000000 0.50000000000000 92.906 > 97 106 Nb 0.75000000000000 0.00000000000000 0.50000000000000 92.906 > 97 107 Nb 0.37500000000000 0.75000000000000 0.25000000000000 92.906 > 99 108 Nb 0.87500000000000 0.75000000000000 0.25000000000000 92.906 > 99 109 Nb 0.25000000000000 0.50000000000000 0.00000000000000 92.906 > 97 110 Nb 0.75000000000000 0.50000000000000 0.00000000000000 92.906 > 97 111 Nb 0.37500000000000 0.25000000000000 0.75000000000000 92.906 > 99 112 Nb 0.87500000000000 0.25000000000000 0.75000000000000 92.906 > 99 113 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 113 114 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 113 115 Ag 0.37500000000000 0.75000000000000 0.75000000000000 107.868 > 115 116 Ag 0.87500000000000 0.75000000000000 0.75000000000000 107.868 > 115 117 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 113 118 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 113 119 Ag 0.37500000000000 0.25000000000000 0.25000000000000 107.868 > 115 120 Ag 0.87500000000000 0.25000000000000 0.25000000000000 107.868 > 115 121 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 113 122 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 113 123 Ag 0.12500000000000 0.75000000000000 0.25000000000000 107.868 > 115 124 Ag 0.62500000000000 0.75000000000000 0.25000000000000 107.868 > 115 125 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 113 126 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 113 127 Ag 0.12500000000000 0.25000000000000 0.75000000000000 107.868 > 115 128 Ag 0.62500000000000 0.25000000000000 0.75000000000000 107.868 > 115----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2148955 0.0000000 0.0000000 0.0000000 4.0144437 0.0000000 0.0000000 0.0000000 3.7684717-------------------------- Born effective charges -------------------------- 1 S -1.4873597 0.8594819 0.7102473 0.3890114 -1.2360144 -0.6822637 0.2464367 -0.5718095 -1.0799134 2 S -1.4873597 -0.8594819 -0.7102473 -0.3890114 -1.2360144 -0.6822637 -0.2464367 -0.5718095 -1.0799134 3 S -1.4873597 -0.8594819 0.7102473 -0.3890114 -1.2360144 0.6822637 0.2464367 0.5718095 -1.0799134 4 S -1.4873597 0.8594819 -0.7102473 0.3890114 -1.2360144 0.6822637 -0.2464367 0.5718095 -1.0799134 5 S -1.4873597 0.8594819 0.7102473 0.3890114 -1.2360144 -0.6822637 0.2464367 -0.5718095 -1.0799134 6 S -1.4873597 0.8594819 -0.7102473 0.3890114 -1.2360144 0.6822637 -0.2464367 0.5718095 -1.0799134 7 S -1.4873597 -0.8594819 0.7102473 -0.3890114 -1.2360144 0.6822637 0.2464367 0.5718095 -1.0799134 8 S -1.4873597 -0.8594819 -0.7102473 -0.3890114 -1.2360144 -0.6822637 -0.2464367 -0.5718095 -1.0799134 9 Rb 1.1889397 -0.0065837 0.0000000 -0.0653835 1.3809277 0.0000000 0.0000000 0.0000000 1.3131715 10 Rb 1.1889397 -0.0065837 0.0000000 -0.0653835 1.3809277 0.0000000 0.0000000 0.0000000 1.3131715 11 Rb 1.1889397 0.0065837 0.0000000 0.0653835 1.3809277 0.0000000 0.0000000 0.0000000 1.3131715 12 Rb 1.1889397 0.0065837 0.0000000 0.0653835 1.3809277 0.0000000 0.0000000 0.0000000 1.3131715 13 Nb 3.5120334 0.0000000 0.0000000 0.0000000 1.7819617 0.0000000 0.0000000 0.0000000 1.2910995 14 Nb 3.5120334 0.0000000 0.0000000 0.0000000 1.7819617 0.0000000 0.0000000 0.0000000 1.2910995 15 Ag 0.0595258 0.0000000 0.0000000 0.0000000 0.4002404 0.0000000 0.0000000 0.0000000 0.4022109 16 Ag 0.0595258 0.0000000 0.0000000 0.0000000 0.4002404 0.0000000 0.0000000 0.0000000 0.4022109----------------------------------------------------------------------------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[ 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[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 113, 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: -0.00000001 (yxz) -0.00000001 (yxz) -0.00000001 (yzx)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 00:47:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 00:47:53]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 1]Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]Spacegroup: Fddd (70)------------------------------ primitive cell ------------------------------Lattice vectors: a 0.000000000000000 6.766044325000002 11.697319499999999 b 2.921497554999999 0.000000000000000 11.697319499999999 c 2.921497554999999 6.766044325000002 0.000000000000000Atomic positions (fractional): 1 S 0.37794310304368 0.73568617344911 0.82344317374055 32.065 2 S 0.06292754976666 0.82344317374055 0.73568617344911 32.065 3 S 0.82344317374055 0.06292754976666 0.37794310304368 32.065 4 S 0.73568617344911 0.37794310304368 0.06292754976666 32.065 5 S 0.87205689695632 0.51431382655089 0.42655682625945 32.065 6 S 0.51431382655089 0.87205689695632 0.18707245023334 32.065 7 S 0.42655682625945 0.18707245023334 0.87205689695632 32.065 8 S 0.18707245023334 0.42655682625945 0.51431382655089 32.065 9 Rb 0.43007724443995 0.43007724443995 0.06992275556005 85.468 10 Rb 0.81992275556005 0.81992275556005 0.18007724443995 85.468 11 Rb 0.06992275556005 0.06992275556005 0.43007724443995 85.468 12 Rb 0.18007724443995 0.18007724443995 0.81992275556005 85.468 13 Nb 0.00000000000000 0.00000000000000 0.00000000000000 92.906 14 Nb 0.25000000000000 0.25000000000000 0.25000000000000 92.906 15 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 16 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868-------------------------------- supercell ---------------------------------Lattice vectors: a 11.685990219999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.532088650000004 0.000000000000000 c 0.000000000000000 0.000000000000000 23.394638999999998Atomic positions (fractional): 1 S 0.38978233679741 0.60069313839212 0.55681463824639 32.065 > 1 2 S 0.88978233679741 0.60069313839212 0.55681463824639 32.065 > 1 3 S 0.38978233679741 0.89930686160788 0.94318536175361 32.065 > 3 4 S 0.88978233679741 0.89930686160788 0.94318536175361 32.065 > 3 5 S 0.36021766320259 0.60069313839212 0.94318536175361 32.065 > 5 6 S 0.86021766320259 0.60069313839212 0.94318536175361 32.065 > 5 7 S 0.36021766320259 0.89930686160788 0.55681463824639 32.065 > 7 8 S 0.86021766320259 0.89930686160788 0.55681463824639 32.065 > 7 9 S 0.23521766320258 0.64930686160788 0.69318536175361 32.065 > 9 10 S 0.73521766320258 0.64930686160788 0.69318536175361 32.065 > 9 11 S 0.01478233679742 0.85069313839212 0.69318536175361 32.065 > 11 12 S 0.51478233679742 0.85069313839212 0.69318536175361 32.065 > 11 13 S 0.01478233679742 0.64930686160788 0.80681463824639 32.065 > 13 14 S 0.51478233679742 0.64930686160788 0.80681463824639 32.065 > 13 15 S 0.23521766320258 0.85069313839212 0.80681463824639 32.065 > 15 16 S 0.73521766320258 0.85069313839212 0.80681463824639 32.065 > 15 17 S 0.38978233679741 0.10069313839212 0.05681463824639 32.065 > 1 18 S 0.88978233679741 0.10069313839212 0.05681463824639 32.065 > 1 19 S 0.38978233679741 0.39930686160788 0.44318536175361 32.065 > 3 20 S 0.88978233679741 0.39930686160788 0.44318536175361 32.065 > 3 21 S 0.36021766320259 0.10069313839212 0.44318536175361 32.065 > 5 22 S 0.86021766320259 0.10069313839212 0.44318536175361 32.065 > 5 23 S 0.36021766320259 0.39930686160788 0.05681463824639 32.065 > 7 24 S 0.86021766320259 0.39930686160788 0.05681463824639 32.065 > 7 25 S 0.23521766320258 0.14930686160788 0.19318536175361 32.065 > 9 26 S 0.73521766320258 0.14930686160788 0.19318536175361 32.065 > 9 27 S 0.01478233679742 0.35069313839212 0.19318536175361 32.065 > 11 28 S 0.51478233679742 0.35069313839212 0.19318536175361 32.065 > 11 29 S 0.01478233679742 0.14930686160788 0.30681463824639 32.065 > 13 30 S 0.51478233679742 0.14930686160788 0.30681463824639 32.065 > 13 31 S 0.23521766320258 0.35069313839212 0.30681463824639 32.065 > 15 32 S 0.73521766320258 0.35069313839212 0.30681463824639 32.065 > 15 33 S 0.13978233679742 0.60069313839212 0.05681463824639 32.065 > 1 34 S 0.63978233679742 0.60069313839212 0.05681463824639 32.065 > 1 35 S 0.13978233679742 0.89930686160788 0.44318536175361 32.065 > 3 36 S 0.63978233679742 0.89930686160788 0.44318536175361 32.065 > 3 37 S 0.11021766320258 0.60069313839212 0.44318536175361 32.065 > 5 38 S 0.61021766320258 0.60069313839212 0.44318536175361 32.065 > 5 39 S 0.11021766320258 0.89930686160788 0.05681463824639 32.065 > 7 40 S 0.61021766320258 0.89930686160788 0.05681463824639 32.065 > 7 41 S 0.48521766320259 0.64930686160788 0.19318536175361 32.065 > 9 42 S 0.98521766320259 0.64930686160788 0.19318536175361 32.065 > 9 43 S 0.26478233679741 0.85069313839212 0.19318536175361 32.065 > 11 44 S 0.76478233679741 0.85069313839212 0.19318536175361 32.065 > 11 45 S 0.26478233679741 0.64930686160788 0.30681463824639 32.065 > 13 46 S 0.76478233679741 0.64930686160788 0.30681463824639 32.065 > 13 47 S 0.48521766320259 0.85069313839212 0.30681463824639 32.065 > 15 48 S 0.98521766320259 0.85069313839212 0.30681463824639 32.065 > 15 49 S 0.13978233679742 0.10069313839212 0.55681463824639 32.065 > 1 50 S 0.63978233679742 0.10069313839212 0.55681463824639 32.065 > 1 51 S 0.13978233679742 0.39930686160788 0.94318536175361 32.065 > 3 52 S 0.63978233679742 0.39930686160788 0.94318536175361 32.065 > 3 53 S 0.11021766320258 0.10069313839212 0.94318536175361 32.065 > 5 54 S 0.61021766320258 0.10069313839212 0.94318536175361 32.065 > 5 55 S 0.11021766320258 0.39930686160788 0.55681463824639 32.065 > 7 56 S 0.61021766320258 0.39930686160788 0.55681463824639 32.065 > 7 57 S 0.48521766320259 0.14930686160788 0.69318536175361 32.065 > 9 58 S 0.98521766320259 0.14930686160788 0.69318536175361 32.065 > 9 59 S 0.26478233679741 0.35069313839212 0.69318536175361 32.065 > 11 60 S 0.76478233679741 0.35069313839212 0.69318536175361 32.065 > 11 61 S 0.26478233679741 0.14930686160788 0.80681463824639 32.065 > 13 62 S 0.76478233679741 0.14930686160788 0.80681463824639 32.065 > 13 63 S 0.48521766320259 0.35069313839212 0.80681463824639 32.065 > 15 64 S 0.98521766320259 0.35069313839212 0.80681463824639 32.065 > 15 65 Rb 0.12500000000000 0.75000000000000 0.93007724443995 85.468 > 65 66 Rb 0.62500000000000 0.75000000000000 0.93007724443995 85.468 > 65 67 Rb 0.00000000000000 0.00000000000000 0.81992275556005 85.468 > 67 68 Rb 0.50000000000000 0.00000000000000 0.81992275556005 85.468 > 67 69 Rb 0.12500000000000 0.75000000000000 0.56992275556005 85.468 > 69 70 Rb 0.62500000000000 0.75000000000000 0.56992275556005 85.468 > 69 71 Rb 0.25000000000000 0.00000000000000 0.68007724443995 85.468 > 71 72 Rb 0.75000000000000 0.00000000000000 0.68007724443995 85.468 > 71 73 Rb 0.12500000000000 0.25000000000000 0.43007724443995 85.468 > 65 74 Rb 0.62500000000000 0.25000000000000 0.43007724443995 85.468 > 65 75 Rb 0.00000000000000 0.50000000000000 0.31992275556005 85.468 > 67 76 Rb 0.50000000000000 0.50000000000000 0.31992275556005 85.468 > 67 77 Rb 0.12500000000000 0.25000000000000 0.06992275556005 85.468 > 69 78 Rb 0.62500000000000 0.25000000000000 0.06992275556005 85.468 > 69 79 Rb 0.25000000000000 0.50000000000000 0.18007724443995 85.468 > 71 80 Rb 0.75000000000000 0.50000000000000 0.18007724443995 85.468 > 71 81 Rb 0.37500000000000 0.75000000000000 0.43007724443995 85.468 > 65 82 Rb 0.87500000000000 0.75000000000000 0.43007724443995 85.468 > 65 83 Rb 0.25000000000000 0.00000000000000 0.31992275556005 85.468 > 67 84 Rb 0.75000000000000 0.00000000000000 0.31992275556005 85.468 > 67 85 Rb 0.37500000000000 0.75000000000000 0.06992275556005 85.468 > 69 86 Rb 0.87500000000000 0.75000000000000 0.06992275556005 85.468 > 69 87 Rb 0.00000000000000 0.00000000000000 0.18007724443995 85.468 > 71 88 Rb 0.50000000000000 0.00000000000000 0.18007724443995 85.468 > 71 89 Rb 0.37500000000000 0.25000000000000 0.93007724443995 85.468 > 65 90 Rb 0.87500000000000 0.25000000000000 0.93007724443995 85.468 > 65 91 Rb 0.25000000000000 0.50000000000000 0.81992275556005 85.468 > 67 92 Rb 0.75000000000000 0.50000000000000 0.81992275556005 85.468 > 67 93 Rb 0.37500000000000 0.25000000000000 0.56992275556005 85.468 > 69 94 Rb 0.87500000000000 0.25000000000000 0.56992275556005 85.468 > 69 95 Rb 0.00000000000000 0.50000000000000 0.68007724443995 85.468 > 71 96 Rb 0.50000000000000 0.50000000000000 0.68007724443995 85.468 > 71 97 Nb 0.00000000000000 0.00000000000000 0.00000000000000 92.906 > 97 98 Nb 0.50000000000000 0.00000000000000 0.00000000000000 92.906 > 97 99 Nb 0.12500000000000 0.75000000000000 0.75000000000000 92.906 > 99 100 Nb 0.62500000000000 0.75000000000000 0.75000000000000 92.906 > 99 101 Nb 0.00000000000000 0.50000000000000 0.50000000000000 92.906 > 97 102 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 > 97 103 Nb 0.12500000000000 0.25000000000000 0.25000000000000 92.906 > 99 104 Nb 0.62500000000000 0.25000000000000 0.25000000000000 92.906 > 99 105 Nb 0.25000000000000 0.00000000000000 0.50000000000000 92.906 > 97 106 Nb 0.75000000000000 0.00000000000000 0.50000000000000 92.906 > 97 107 Nb 0.37500000000000 0.75000000000000 0.25000000000000 92.906 > 99 108 Nb 0.87500000000000 0.75000000000000 0.25000000000000 92.906 > 99 109 Nb 0.25000000000000 0.50000000000000 0.00000000000000 92.906 > 97 110 Nb 0.75000000000000 0.50000000000000 0.00000000000000 92.906 > 97 111 Nb 0.37500000000000 0.25000000000000 0.75000000000000 92.906 > 99 112 Nb 0.87500000000000 0.25000000000000 0.75000000000000 92.906 > 99 113 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 113 114 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 113 115 Ag 0.37500000000000 0.75000000000000 0.75000000000000 107.868 > 115 116 Ag 0.87500000000000 0.75000000000000 0.75000000000000 107.868 > 115 117 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 113 118 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 113 119 Ag 0.37500000000000 0.25000000000000 0.25000000000000 107.868 > 115 120 Ag 0.87500000000000 0.25000000000000 0.25000000000000 107.868 > 115 121 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 113 122 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 113 123 Ag 0.12500000000000 0.75000000000000 0.25000000000000 107.868 > 115 124 Ag 0.62500000000000 0.75000000000000 0.25000000000000 107.868 > 115 125 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 113 126 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 113 127 Ag 0.12500000000000 0.25000000000000 0.75000000000000 107.868 > 115 128 Ag 0.62500000000000 0.25000000000000 0.75000000000000 107.868 > 115----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.2148955 0.0000000 0.0000000 0.0000000 4.0144437 0.0000000 0.0000000 0.0000000 3.7684717-------------------------- Born effective charges -------------------------- 1 S -1.4873597 0.8594819 0.7102473 0.3890114 -1.2360144 -0.6822637 0.2464367 -0.5718095 -1.0799134 2 S -1.4873597 -0.8594819 -0.7102473 -0.3890114 -1.2360144 -0.6822637 -0.2464367 -0.5718095 -1.0799134 3 S -1.4873597 -0.8594819 0.7102473 -0.3890114 -1.2360144 0.6822637 0.2464367 0.5718095 -1.0799134 4 S -1.4873597 0.8594819 -0.7102473 0.3890114 -1.2360144 0.6822637 -0.2464367 0.5718095 -1.0799134 5 S -1.4873597 0.8594819 0.7102473 0.3890114 -1.2360144 -0.6822637 0.2464367 -0.5718095 -1.0799134 6 S -1.4873597 0.8594819 -0.7102473 0.3890114 -1.2360144 0.6822637 -0.2464367 0.5718095 -1.0799134 7 S -1.4873597 -0.8594819 0.7102473 -0.3890114 -1.2360144 0.6822637 0.2464367 0.5718095 -1.0799134 8 S -1.4873597 -0.8594819 -0.7102473 -0.3890114 -1.2360144 -0.6822637 -0.2464367 -0.5718095 -1.0799134 9 Rb 1.1889397 -0.0065837 0.0000000 -0.0653835 1.3809277 0.0000000 0.0000000 0.0000000 1.3131715 10 Rb 1.1889397 -0.0065837 0.0000000 -0.0653835 1.3809277 0.0000000 0.0000000 0.0000000 1.3131715 11 Rb 1.1889397 0.0065837 0.0000000 0.0653835 1.3809277 0.0000000 0.0000000 0.0000000 1.3131715 12 Rb 1.1889397 0.0065837 0.0000000 0.0653835 1.3809277 0.0000000 0.0000000 0.0000000 1.3131715 13 Nb 3.5120334 0.0000000 0.0000000 0.0000000 1.7819617 0.0000000 0.0000000 0.0000000 1.2910995 14 Nb 3.5120334 0.0000000 0.0000000 0.0000000 1.7819617 0.0000000 0.0000000 0.0000000 1.2910995 15 Ag 0.0595258 0.0000000 0.0000000 0.0000000 0.4002404 0.0000000 0.0000000 0.0000000 0.4022109 16 Ag 0.0595258 0.0000000 0.0000000 0.0000000 0.4002404 0.0000000 0.0000000 0.0000000 0.4022109----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000001 (yxz) -0.00000001 (yxz) -0.00000001 (yzx)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 10 10 10 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 293, Lambda: 0.12Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/171) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.421 ( 0.000 0.000 0.000) 0.000 0.846 ( 0.000 0.000 0.000) 0.000 0.846 ( 0.000 0.000 0.000) 0.000 1.268 ( 0.000 0.000 0.000) 0.000 1.271 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 0.000) 0.000 1.411 ( 0.000 0.000 0.000) 0.000 1.738 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 -0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.395 ( 0.000 0.000 0.000) 0.000 2.415 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 -0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 4.499 ( 0.000 0.000 0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 -0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 -0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.039 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 -0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.522 ( 0.000 0.000 0.000) 0.000 7.549 ( 0.000 0.000 0.000) 0.000 12.254 ( 0.000 0.000 0.000) 0.000 12.291 ( 0.000 0.000 -0.000) 0.000 12.448 ( 0.000 0.000 0.000) 0.000 12.602 ( 0.000 0.000 0.000) 0.000 12.647 ( 0.000 0.000 0.000) 0.000 12.764 ( 0.000 0.000 0.000) 0.000 12.851 ( 0.000 0.000 -0.000) 0.000 13.117 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/171) =======================q-point: ( 0.10 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.247 ( -11.001 5.479 8.079) 14.707 0.358 ( -15.076 9.136 2.341) 17.783 0.528 ( -8.527 2.759 2.624) 9.338 0.765 ( -36.891 4.445 0.537) 37.162 0.907 ( -6.366 2.472 -0.869) 6.884 1.182 ( -27.000 1.406 -3.656) 27.282 1.239 ( 4.058 -0.026 1.962) 4.508 1.262 ( 0.554 0.807 -2.017) 2.242 1.379 ( -7.219 -5.124 0.566) 8.871 1.494 ( -2.107 4.515 -0.525) 5.010 1.715 ( 3.002 -0.231 1.420) 3.328 1.955 ( 2.582 -1.471 -0.067) 2.972 2.089 ( 0.036 -1.800 0.015) 1.801 2.115 ( 0.555 -1.812 -0.206) 1.907 2.163 ( -6.440 -1.174 -3.864) 7.602 2.188 ( 3.527 -1.238 0.402) 3.760 2.336 ( 1.601 -0.626 -5.578) 5.837 2.347 ( -3.428 -2.960 -2.766) 5.307 2.403 ( -3.395 0.349 -0.738) 3.492 2.425 ( -1.563 -0.352 -5.583) 5.808 2.510 ( 3.344 2.336 3.933) 5.666 2.554 ( 1.319 -1.493 9.116) 9.331 2.575 ( 1.134 0.500 1.748) 2.143 2.665 ( 9.340 14.833 5.022) 18.234 4.501 ( -0.731 -0.700 -0.043) 1.013 4.503 ( -0.597 -0.170 -0.047) 0.623 4.636 ( -2.273 -0.000 0.359) 2.301 4.769 ( 0.942 -0.212 -0.647) 1.162 4.777 ( 1.555 -0.151 0.642) 1.689 4.840 ( 3.718 -0.523 -0.165) 3.758 4.911 ( 2.790 -1.218 -0.987) 3.200 4.915 ( 2.812 -0.507 -0.044) 2.857 5.897 ( -1.485 -0.086 0.936) 1.758 5.958 ( 0.039 0.834 -0.005) 0.835 6.065 ( -0.831 0.140 0.100) 0.848 6.075 ( -2.570 0.719 0.155) 2.673 7.356 ( 7.327 0.014 0.037) 7.327 7.386 ( 4.969 -0.858 -0.460) 5.063 7.641 ( -6.191 -0.301 -0.432) 6.214 7.650 ( -7.177 0.176 0.123) 7.180 12.251 ( 0.295 -0.025 0.048) 0.300 12.281 ( 0.933 -0.165 -0.125) 0.955 12.623 ( -3.261 -2.046 -2.825) 4.775 12.647 ( -3.289 -1.882 2.419) 4.496 12.757 ( -1.060 -0.105 -3.482) 3.641 12.847 ( 0.819 1.133 -0.515) 1.490 13.069 ( 1.351 -6.426 0.237) 6.570 13.198 ( -0.682 2.883 -2.046) 3.601======================= Grid point 2 (3/171) =======================q-point: ( 0.20 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.514 ( -11.518 5.811 4.893) 13.798 0.644 ( -9.410 6.584 1.915) 11.644 0.718 ( -8.853 2.574 3.640) 9.913 1.016 ( -6.183 1.785 -5.969) 8.778 1.080 ( 5.467 1.215 -0.503) 5.623 1.207 ( -6.019 0.596 1.161) 6.159 1.248 ( -2.222 0.690 0.938) 2.508 1.475 ( -2.750 -1.667 -0.703) 3.292 1.630 ( 1.979 -1.429 1.402) 2.815 1.682 ( -18.298 2.679 1.849) 18.585 1.798 ( -25.351 3.697 -0.877) 25.634 1.869 ( 5.042 -1.588 0.224) 5.290 2.060 ( 3.729 -1.604 -1.877) 4.472 2.070 ( 0.882 0.246 -0.634) 1.114 2.099 ( 4.260 -2.535 0.659) 5.001 2.264 ( 0.108 1.752 -8.226) 8.412 2.310 ( -9.177 0.739 -0.504) 9.220 2.411 ( -1.763 0.249 0.289) 1.804 2.451 ( -9.934 -1.834 -4.535) 11.073 2.474 ( -3.403 0.059 -0.843) 3.506 2.501 ( 0.088 0.662 3.745) 3.804 2.568 ( -2.027 1.789 0.552) 2.759 2.581 ( -1.061 -0.814 8.187) 8.296 2.621 ( 4.620 2.947 1.006) 5.571 4.512 ( -1.339 -1.068 -0.044) 1.713 4.517 ( -1.210 -0.209 -0.050) 1.229 4.680 ( -2.402 -0.629 0.383) 2.512 4.725 ( 3.275 -0.325 -0.352) 3.310 4.746 ( 6.552 -0.392 0.176) 6.566 4.759 ( 1.542 -0.107 0.435) 1.606 4.811 ( 7.559 -0.221 -0.463) 7.577 4.838 ( 5.355 -0.880 -0.395) 5.441 5.938 ( -2.723 0.275 0.286) 2.752 5.975 ( -1.118 1.289 0.108) 1.710 6.084 ( -0.980 0.069 0.417) 1.067 6.127 ( -3.013 -0.493 -0.069) 3.054 7.240 ( 6.101 0.017 0.195) 6.104 7.290 ( 4.991 -0.868 -0.525) 5.093 7.747 ( -5.886 0.627 0.032) 5.920 7.765 ( -5.913 0.245 -0.003) 5.918 12.247 ( 0.139 -0.041 0.057) 0.156 12.260 ( 1.294 -0.058 -0.053) 1.296 12.654 ( -2.385 -0.698 -0.596) 2.555 12.712 ( -3.574 -0.179 0.194) 3.584 12.763 ( -1.198 -0.220 -0.843) 1.482 12.837 ( 1.220 2.028 -1.047) 2.588 13.000 ( 1.247 -6.304 0.697) 6.464 13.211 ( 0.665 2.340 -1.176) 2.702======================= Grid point 3 (4/171) =======================q-point: ( 0.30 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( -3.719 2.025 -2.281) 4.810 0.785 ( -4.829 4.670 2.864) 7.303 0.885 ( -7.009 2.595 3.176) 8.121 1.042 ( -4.085 0.030 -0.886) 4.180 1.124 ( -2.695 2.017 -3.214) 4.654 1.204 ( -0.441 2.131 -2.802) 3.548 1.349 ( -4.010 -0.711 6.763) 7.894 1.480 ( 0.093 -1.373 0.444) 1.446 1.550 ( 5.879 0.626 2.148) 6.291 1.721 ( 6.290 -2.586 1.066) 6.884 1.896 ( 1.577 -0.785 -1.870) 2.569 1.925 ( 4.209 -1.687 -2.100) 4.998 2.011 ( 1.871 -0.689 -3.758) 4.254 2.072 ( -1.075 0.901 2.459) 2.831 2.093 ( -0.942 4.297 -0.339) 4.412 2.284 ( -1.218 2.309 -5.677) 6.248 2.409 ( -1.506 -0.229 0.635) 1.650 2.449 ( 2.846 -1.281 2.782) 4.181 2.512 ( -6.087 1.863 1.687) 6.586 2.535 ( 0.157 -0.258 0.572) 0.647 2.579 ( -0.121 0.739 1.063) 1.300 2.621 ( -6.734 1.528 -0.326) 6.913 2.801 ( -26.740 0.920 0.430) 26.760 2.846 ( -28.442 -2.029 0.037) 28.514 4.528 ( -1.164 -1.129 0.042) 1.622 4.534 ( -0.189 -0.396 -0.018) 0.439 4.579 ( 12.859 -0.099 0.233) 12.862 4.608 ( 11.917 -0.600 0.062) 11.933 4.665 ( 3.259 -0.334 -0.297) 3.290 4.720 ( -0.093 -0.404 -1.325) 1.388 4.735 ( 3.303 -0.854 -0.027) 3.412 4.761 ( 0.918 0.200 1.252) 1.565 5.991 ( -2.876 0.753 -0.352) 2.994 6.014 ( -1.920 1.672 0.484) 2.591 6.099 ( -0.531 -0.293 0.645) 0.885 6.162 ( -1.769 -1.298 -0.441) 2.238 7.153 ( 4.184 0.030 0.379) 4.201 7.205 ( 3.895 -0.780 -0.589) 4.016 7.844 ( -4.612 0.660 0.073) 4.660 7.852 ( -3.979 0.250 -0.066) 3.988 12.240 ( 0.933 0.197 0.107) 0.959 12.247 ( 0.027 0.005 0.035) 0.045 12.687 ( -1.552 0.524 0.275) 1.661 12.742 ( -1.296 -1.717 -0.550) 2.220 12.787 ( -0.653 0.510 -0.607) 1.027 12.839 ( -0.407 3.023 -1.061) 3.229 12.946 ( 0.453 -5.435 1.533) 5.665 13.203 ( 1.119 1.189 -0.763) 1.802======================= Grid point 4 (5/171) =======================q-point: ( 0.40 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.722 ( 1.062 2.672 -0.422) 2.906 0.875 ( -2.524 -1.037 -1.798) 3.268 1.030 ( -5.951 2.031 -1.136) 6.390 1.118 ( 1.928 2.372 -0.669) 3.129 1.142 ( -7.300 -1.354 1.960) 7.679 1.277 ( -5.413 1.542 -1.394) 5.798 1.405 ( 0.917 -2.250 3.317) 4.111 1.456 ( 1.036 -0.275 1.990) 2.261 1.473 ( 5.551 2.124 3.176) 6.739 1.625 ( 3.660 -1.016 1.146) 3.968 1.797 ( 3.486 -1.047 -1.516) 3.943 1.851 ( 3.911 0.498 -1.878) 4.367 1.945 ( 2.669 -0.818 -3.408) 4.406 2.061 ( 1.162 0.043 0.489) 1.261 2.156 ( -1.305 2.570 0.847) 3.004 2.272 ( 1.558 1.517 -1.892) 2.882 2.388 ( 0.913 -2.982 -0.478) 3.155 2.420 ( 1.572 0.932 1.066) 2.116 2.531 ( -0.642 -0.909 -0.545) 1.239 2.553 ( 0.695 0.728 2.087) 2.317 2.672 ( -5.367 1.410 1.005) 5.639 2.723 ( -3.895 1.064 -0.321) 4.050 3.325 ( -29.910 0.447 0.247) 29.914 3.353 ( -29.096 -0.478 -0.348) 29.102 4.300 ( 18.824 -0.248 0.156) 18.827 4.324 ( 18.128 -0.532 0.057) 18.136 4.538 ( -0.550 -0.977 0.045) 1.122 4.548 ( 0.273 -0.170 -0.371) 0.491 4.621 ( 1.496 0.152 0.110) 1.508 4.674 ( 1.866 -0.138 -0.634) 1.976 4.720 ( 0.029 -0.582 -0.295) 0.653 4.770 ( -0.421 0.129 0.926) 1.026 6.039 ( -2.067 1.082 -0.581) 2.404 6.064 ( -1.960 1.590 0.346) 2.547 6.101 ( 0.301 -0.577 1.000) 1.194 6.165 ( -0.318 -1.647 -0.699) 1.817 7.101 ( 2.102 0.044 0.351) 2.132 7.145 ( 2.103 -0.480 -0.453) 2.204 7.903 ( -1.972 0.155 -0.109) 1.981 7.911 ( -2.525 0.358 0.075) 2.552 12.231 ( 0.404 0.338 0.254) 0.585 12.247 ( -0.019 -0.036 -0.104) 0.111 12.711 ( -0.545 0.532 0.100) 0.768 12.746 ( -0.519 -0.776 0.652) 1.139 12.784 ( 0.182 -0.098 -1.511) 1.525 12.871 ( -0.500 3.251 -1.467) 3.601 12.917 ( -0.398 -4.349 2.282) 4.928 13.189 ( 0.822 0.397 -0.417) 1.004======================= Grid point 5 (6/171) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 252Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.727 ( -0.000 0.000 0.000) 0.000 0.878 ( -0.000 0.000 0.000) 0.000 1.089 ( -0.000 -0.000 -0.000) 0.000 1.101 ( 0.000 0.000 0.000) 0.000 1.252 ( -0.000 0.000 0.000) 0.000 1.314 ( -0.000 0.000 0.000) 0.000 1.390 ( -0.000 0.000 0.000) 0.000 1.403 ( -0.000 0.000 0.000) 0.000 1.472 ( -0.000 0.000 0.000) 0.000 1.584 ( 0.000 0.000 -0.000) 0.000 1.781 ( -0.000 0.000 -0.000) 0.000 1.798 ( -0.000 0.000 0.000) 0.000 1.905 ( -0.000 0.000 0.000) 0.000 2.052 ( -0.000 0.000 0.000) 0.000 2.179 ( -0.000 0.000 -0.000) 0.000 2.256 ( -0.000 0.000 0.000) 0.000 2.366 ( -0.000 0.000 0.000) 0.000 2.412 ( -0.000 0.000 -0.000) 0.000 2.533 ( -0.000 0.000 0.000) 0.000 2.553 ( -0.000 0.000 0.000) 0.000 2.730 ( -0.000 0.000 0.000) 0.000 2.759 ( -0.000 0.000 0.000) 0.000 3.693 ( -0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 4.032 ( -0.000 0.000 0.000) 0.000 4.073 ( -0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 -0.000) 0.000 4.539 ( -0.000 -0.000 0.000) 0.000 4.612 ( -0.000 0.000 0.000) 0.000 4.658 ( -0.000 0.000 0.000) 0.000 4.716 ( -0.000 0.000 0.000) 0.000 4.776 ( -0.000 0.000 0.000) 0.000 6.066 ( -0.000 0.000 -0.000) 0.000 6.085 ( 0.000 -0.000 0.000) 0.000 6.101 ( -0.000 0.000 0.000) 0.000 6.154 ( -0.000 0.000 0.000) 0.000 7.084 ( -0.000 0.000 0.000) 0.000 7.124 ( -0.000 0.000 0.000) 0.000 7.920 ( -0.000 0.000 0.000) 0.000 7.935 ( -0.000 0.000 -0.000) 0.000 12.230 ( -0.000 0.000 0.000) 0.000 12.246 ( -0.000 0.000 0.000) 0.000 12.716 ( -0.000 0.000 0.000) 0.000 12.753 ( -0.000 0.000 0.000) 0.000 12.776 ( -0.000 0.000 0.000) 0.000 12.884 ( -0.000 0.000 0.000) 0.000 12.911 ( -0.000 0.000 0.000) 0.000 13.182 ( -0.000 0.000 0.000) 0.000======================= Grid point 12 (7/171) =======================q-point: ( 0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.108 ( 0.000 0.000 12.521) 12.521 0.112 ( 0.000 0.000 13.020) 13.020 0.221 ( 0.000 0.000 25.708) 25.708 0.448 ( 0.000 0.000 5.892) 5.892 0.830 ( -0.000 -0.000 -3.576) 3.576 0.837 ( -0.000 -0.000 -2.077) 2.077 1.249 ( -0.000 -0.000 -4.423) 4.423 1.280 ( 0.000 0.000 1.987) 1.987 1.340 ( -0.000 -0.000 -2.369) 2.369 1.412 ( 0.000 0.000 0.066) 0.066 1.807 ( 0.000 0.000 0.646) 0.646 1.976 ( 0.000 0.000 1.933) 1.933 1.982 ( 0.000 0.000 0.358) 0.358 2.106 ( -0.000 -0.000 -0.208) 0.208 2.139 ( -0.000 -0.000 -1.505) 1.505 2.223 ( 0.000 0.000 0.072) 0.072 2.281 ( 0.000 0.000 1.067) 1.067 2.336 ( -0.000 -0.000 -13.656) 13.656 2.365 ( -0.000 -0.000 -1.593) 1.593 2.393 ( -0.000 -0.000 -0.454) 0.454 2.565 ( 0.000 0.000 0.457) 0.457 2.581 ( 0.000 0.000 0.022) 0.022 2.607 ( 0.000 0.000 11.277) 11.277 3.041 ( -0.000 -0.000 -1.175) 1.175 4.497 ( -0.000 -0.000 -0.070) 0.070 4.498 ( -0.000 -0.000 -0.085) 0.085 4.616 ( 0.000 0.000 0.773) 0.773 4.771 ( -0.000 -0.000 -1.277) 1.277 4.795 ( 0.000 0.000 0.490) 0.490 4.875 ( -0.000 -0.000 -0.468) 0.468 4.886 ( 0.000 0.000 0.568) 0.568 4.933 ( -0.000 -0.000 -0.202) 0.202 5.944 ( 0.000 0.000 0.141) 0.141 5.958 ( -0.000 -0.000 -0.015) 0.015 6.040 ( 0.000 0.000 0.159) 0.159 6.057 ( -0.000 -0.000 -0.052) 0.052 7.451 ( 0.000 0.000 0.087) 0.087 7.456 ( 0.000 0.000 0.022) 0.022 7.522 ( 0.000 0.000 0.191) 0.191 7.549 ( -0.000 -0.000 -0.123) 0.123 12.255 ( 0.000 0.000 0.101) 0.101 12.289 ( -0.000 -0.000 -0.315) 0.315 12.450 ( 0.000 0.000 0.385) 0.385 12.587 ( -0.000 -0.000 -2.861) 2.861 12.664 ( 0.000 0.000 3.037) 3.037 12.848 ( -0.000 -0.000 -0.772) 0.772 13.112 ( -0.000 -0.000 -0.043) 0.043 13.116 ( -0.000 -0.000 -0.092) 0.092======================= Grid point 13 (8/171) =======================q-point: ( 0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.347 ( -9.850 1.827 11.838) 15.508 0.405 ( -10.943 9.112 9.862) 17.321 0.571 ( -7.901 2.576 6.991) 10.860 0.772 ( -29.441 4.532 0.788) 29.798 0.897 ( -12.292 2.317 -1.188) 12.565 1.139 ( -18.530 0.978 -5.900) 19.471 1.228 ( 0.274 0.380 -5.200) 5.221 1.256 ( -5.099 1.041 0.896) 5.281 1.387 ( -7.806 -3.966 1.231) 8.842 1.487 ( -3.665 4.258 -1.070) 5.719 1.736 ( 4.036 -0.662 3.080) 5.120 1.954 ( 2.399 -2.009 -0.064) 3.130 2.087 ( 0.507 -2.323 -0.855) 2.526 2.105 ( 0.925 0.532 -2.881) 3.072 2.127 ( -8.021 -1.132 -2.163) 8.385 2.190 ( 2.953 -2.258 -0.771) 3.797 2.255 ( 2.743 2.278 -10.956) 11.522 2.328 ( -4.224 -0.775 -0.825) 4.373 2.389 ( -3.217 0.370 -2.457) 4.065 2.399 ( -1.185 -0.765 -1.307) 1.923 2.545 ( 2.692 2.005 3.067) 4.546 2.571 ( 1.044 0.153 0.195) 1.073 2.644 ( 1.380 -0.456 8.749) 8.868 2.743 ( 13.852 6.308 10.866) 18.701 4.500 ( -0.719 -0.674 -0.132) 0.994 4.502 ( -0.687 -0.313 -0.082) 0.759 4.642 ( -2.202 -0.017 1.060) 2.444 4.763 ( 1.052 -0.348 -0.867) 1.407 4.783 ( 1.195 -0.113 0.569) 1.329 4.837 ( 3.596 -0.512 -0.486) 3.665 4.900 ( 2.253 -1.022 -1.473) 2.880 4.913 ( 2.697 -0.005 -0.373) 2.723 5.910 ( -0.572 -0.617 1.701) 1.897 5.957 ( 0.005 0.833 -0.018) 0.834 6.067 ( -1.426 -0.249 0.191) 1.460 6.077 ( -2.163 0.866 0.359) 2.357 7.357 ( 7.263 0.001 0.103) 7.264 7.380 ( 4.972 -0.527 -0.880) 5.077 7.636 ( -6.832 -0.208 -0.486) 6.852 7.650 ( -7.067 0.518 -0.033) 7.086 12.252 ( 0.302 -0.022 0.150) 0.338 12.279 ( 0.872 -0.140 -0.354) 0.952 12.599 ( -3.902 -1.556 -2.702) 4.995 12.656 ( -5.709 -3.506 -1.692) 6.910 12.719 ( -2.347 3.180 -2.877) 4.889 12.840 ( 0.864 1.061 -1.143) 1.783 13.073 ( 1.536 -5.593 0.431) 5.816 13.174 ( -1.779 3.576 -3.009) 5.001======================= Grid point 14 (9/171) =======================q-point: ( 0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.567 ( -8.641 3.154 6.830) 11.457 0.672 ( -7.974 6.889 4.771) 11.568 0.761 ( -7.965 2.524 6.043) 10.312 0.960 ( -6.481 1.559 -6.643) 9.411 1.068 ( 4.505 1.815 -2.184) 5.325 1.189 ( -0.535 1.559 -4.319) 4.623 1.278 ( -9.341 -0.108 5.096) 10.641 1.466 ( -3.322 -1.656 -1.201) 3.901 1.646 ( 1.320 -0.638 2.426) 2.835 1.705 ( -17.336 2.274 3.388) 17.809 1.788 ( -22.846 3.603 -1.429) 23.172 1.870 ( 4.321 -1.732 0.132) 4.657 2.039 ( 2.812 -2.051 -2.697) 4.403 2.066 ( 1.262 -0.660 -1.419) 2.010 2.095 ( 2.858 -1.849 -1.422) 3.689 2.189 ( 0.578 3.214 -8.222) 8.847 2.309 ( -10.671 0.797 0.382) 10.708 2.413 ( -3.704 -2.004 -0.339) 4.225 2.423 ( -9.222 -0.707 -1.585) 9.384 2.459 ( -4.894 0.952 -2.326) 5.502 2.534 ( 2.364 1.875 3.268) 4.449 2.570 ( -1.673 2.101 0.193) 2.693 2.634 ( 4.312 0.089 2.132) 4.811 2.653 ( 1.540 -0.536 7.664) 7.835 4.512 ( -1.362 -1.009 -0.094) 1.697 4.516 ( -1.277 -0.380 -0.060) 1.334 4.684 ( -1.999 -0.697 0.700) 2.230 4.721 ( 2.893 -0.389 -0.405) 2.947 4.748 ( 6.495 -0.291 0.161) 6.503 4.765 ( 1.482 -0.157 0.731) 1.660 4.805 ( 7.225 -0.146 -0.761) 7.267 4.833 ( 5.553 -0.786 -0.749) 5.658 5.941 ( -2.431 -0.002 0.394) 2.463 5.976 ( -1.206 1.365 0.174) 1.829 6.089 ( -1.129 -0.133 0.703) 1.337 6.126 ( -2.776 -0.407 -0.145) 2.809 7.242 ( 6.004 -0.019 0.383) 6.016 7.284 ( 4.985 -0.724 -0.882) 5.114 7.748 ( -6.003 0.544 0.089) 6.028 7.765 ( -5.793 0.427 -0.046) 5.808 12.248 ( 0.196 -0.059 0.108) 0.232 12.259 ( 1.157 0.002 -0.099) 1.161 12.648 ( -3.175 -0.443 -0.655) 3.271 12.709 ( -3.385 -1.506 -1.162) 3.883 12.758 ( -1.773 1.017 -0.189) 2.052 12.826 ( 1.223 1.874 -1.399) 2.639 13.007 ( 1.240 -5.714 0.986) 5.929 13.198 ( 0.223 2.582 -1.730) 3.117======================= Grid point 15 (10/171) =======================q-point: ( 0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.698 ( -2.884 0.251 -1.902) 3.463 0.808 ( -2.831 4.368 2.400) 5.732 0.918 ( -5.707 2.412 4.219) 7.496 1.032 ( -6.130 -0.394 -1.315) 6.282 1.098 ( -2.968 2.580 -2.631) 4.732 1.184 ( -0.915 3.198 -2.057) 3.911 1.402 ( -4.028 -1.148 5.584) 6.981 1.484 ( -0.509 -1.306 0.508) 1.491 1.575 ( 5.868 0.718 3.651) 6.949 1.730 ( 5.958 -2.383 0.665) 6.451 1.876 ( 3.598 -0.183 -2.484) 4.376 1.913 ( 3.100 -1.163 -0.787) 3.403 1.972 ( 1.948 -0.491 -4.936) 5.330 2.076 ( 0.958 1.006 -1.868) 2.327 2.105 ( -3.084 2.822 2.963) 5.124 2.239 ( -3.712 1.829 -4.673) 6.242 2.409 ( -0.678 -0.588 -0.384) 0.976 2.474 ( 2.636 -1.102 2.783) 3.988 2.527 ( -6.093 1.530 1.731) 6.516 2.539 ( 1.452 0.278 0.264) 1.502 2.591 ( -1.571 0.704 1.504) 2.287 2.617 ( -6.997 1.600 -0.491) 7.194 2.806 ( -26.676 0.659 0.729) 26.694 2.846 ( -26.766 -1.690 -0.034) 26.819 4.528 ( -1.265 -1.065 0.049) 1.654 4.533 ( -0.464 -0.533 -0.026) 0.707 4.582 ( 12.902 -0.149 0.389) 12.909 4.608 ( 12.544 -0.576 -0.179) 12.559 4.664 ( 3.152 -0.159 0.054) 3.156 4.708 ( 0.959 -0.633 -1.356) 1.777 4.735 ( 2.455 -1.013 -0.050) 2.656 4.771 ( 0.400 0.411 1.021) 1.171 5.988 ( -2.694 0.548 -0.281) 2.764 6.018 ( -2.004 1.753 0.409) 2.694 6.106 ( -0.639 -0.433 0.995) 1.259 6.157 ( -1.558 -1.164 -0.712) 2.071 7.157 ( 4.157 -0.051 0.608) 4.201 7.198 ( 3.848 -0.656 -0.865) 3.998 7.845 ( -4.559 0.628 0.116) 4.604 7.851 ( -3.983 0.309 -0.109) 3.996 12.241 ( 0.736 0.149 0.149) 0.765 12.247 ( 0.191 0.059 0.031) 0.203 12.690 ( -1.793 0.255 0.501) 1.879 12.736 ( -1.913 -1.721 -1.015) 2.766 12.782 ( -0.089 0.122 -0.520) 0.542 12.830 ( -0.434 3.245 -1.136) 3.465 12.960 ( 0.306 -4.907 1.731) 5.213 13.195 ( 0.865 1.291 -0.988) 1.842======================= Grid point 16 (11/171) =======================q-point: ( 0.50 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.713 ( -1.451 -0.822 -1.582) 2.298 0.864 ( -1.351 0.654 -0.777) 1.690 1.028 ( -3.902 2.180 0.544) 4.503 1.109 ( 1.164 2.366 -1.362) 2.968 1.157 ( -8.139 -1.089 1.412) 8.332 1.269 ( -5.033 1.940 -0.598) 5.427 1.429 ( 2.953 -2.178 2.429) 4.400 1.472 ( 0.717 -0.984 1.571) 1.987 1.504 ( 5.319 1.881 3.552) 6.666 1.626 ( 4.419 -1.040 -0.873) 4.623 1.801 ( 2.182 -0.219 2.328) 3.199 1.834 ( 4.527 0.915 -1.448) 4.840 1.913 ( 1.282 -1.100 -4.104) 4.438 2.052 ( 0.946 0.897 -2.496) 2.816 2.167 ( -1.276 0.766 1.520) 2.128 2.262 ( 0.073 1.114 -0.466) 1.210 2.374 ( 0.847 -3.203 -2.085) 3.914 2.439 ( 2.240 0.530 2.775) 3.605 2.521 ( -0.333 -0.673 -1.462) 1.643 2.571 ( 1.177 1.249 1.894) 2.556 2.682 ( -4.933 1.267 1.317) 5.261 2.719 ( -3.954 1.045 -0.554) 4.127 3.327 ( -29.817 0.288 0.362) 29.820 3.349 ( -29.182 -0.241 -0.463) 29.186 4.302 ( 18.854 -0.434 0.197) 18.860 4.324 ( 18.260 -0.320 0.002) 18.263 4.539 ( -0.537 -0.944 0.060) 1.088 4.545 ( 0.120 -0.310 -0.356) 0.487 4.623 ( 1.496 0.093 0.295) 1.528 4.667 ( 1.487 0.146 -0.944) 1.768 4.719 ( -0.144 -1.072 0.001) 1.082 4.777 ( 0.040 0.364 0.740) 0.826 6.035 ( -2.166 0.915 -0.376) 2.382 6.065 ( -1.668 1.451 0.087) 2.212 6.111 ( 0.155 -0.532 1.362) 1.470 6.158 ( -0.276 -1.373 -1.007) 1.725 7.104 ( 2.193 -0.139 0.434) 2.240 7.141 ( 1.970 -0.260 -0.536) 2.058 7.902 ( -2.014 0.130 -0.095) 2.021 7.912 ( -2.480 0.393 0.061) 2.512 12.234 ( 0.411 0.229 0.310) 0.563 12.245 ( 0.001 0.012 -0.158) 0.159 12.713 ( -0.562 -0.063 0.388) 0.686 12.747 ( -1.048 -1.190 -0.674) 1.723 12.777 ( 0.184 0.259 0.199) 0.374 12.857 ( -0.165 3.590 -1.775) 4.008 12.936 ( -0.286 -4.135 1.968) 4.589 13.185 ( 0.592 0.403 -0.466) 0.855======================= Grid point 17 (12/171) =======================q-point: (-0.40 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.720 ( -2.090 -4.423 -1.375) 5.082 0.886 ( -0.300 2.085 1.562) 2.622 1.092 ( -1.678 1.170 0.500) 2.106 1.102 ( 1.281 2.029 0.176) 2.406 1.250 ( 1.767 -1.062 -0.384) 2.097 1.316 ( -0.991 -0.493 0.462) 1.199 1.386 ( -3.389 -2.162 -0.551) 4.057 1.409 ( 5.543 0.638 1.086) 5.684 1.457 ( 1.576 -0.561 -3.018) 3.450 1.585 ( 0.128 0.979 0.076) 0.990 1.780 ( 1.409 0.664 0.783) 1.743 1.815 ( -1.423 -0.301 2.184) 2.624 1.905 ( -2.309 0.006 0.146) 2.314 2.040 ( -0.125 0.772 -2.601) 2.716 2.178 ( -0.096 -1.327 -0.132) 1.337 2.267 ( -0.647 -1.291 2.333) 2.744 2.351 ( -1.155 -0.412 -2.799) 3.056 2.426 ( 1.048 0.342 2.671) 2.889 2.520 ( -0.709 -0.157 -2.319) 2.430 2.560 ( 1.599 1.057 1.088) 2.204 2.731 ( 0.602 -0.196 0.034) 0.634 2.759 ( -0.361 -0.004 -0.007) 0.361 3.693 ( 0.193 -0.006 -0.000) 0.193 3.695 ( -0.260 0.034 0.001) 0.262 4.032 ( -0.094 -0.324 0.032) 0.339 4.073 ( 0.220 0.368 -0.039) 0.430 4.538 ( 0.242 0.343 -0.080) 0.428 4.540 ( -0.450 -0.390 0.118) 0.607 4.612 ( 0.091 -0.081 0.051) 0.132 4.657 ( -0.228 0.255 -0.175) 0.384 4.717 ( -0.352 -0.562 0.119) 0.674 4.776 ( 0.563 0.305 -0.027) 0.641 6.067 ( -0.463 0.198 0.250) 0.562 6.082 ( -0.341 -0.091 -0.522) 0.630 6.103 ( 1.221 -0.875 0.305) 1.532 6.154 ( -0.381 0.830 -0.033) 0.914 7.084 ( 0.115 -0.210 -0.001) 0.239 7.124 ( -0.145 0.249 0.001) 0.288 7.920 ( -0.084 -0.061 -0.000) 0.104 7.935 ( 0.064 0.072 0.000) 0.096 12.230 ( 0.103 -0.188 -0.002) 0.215 12.246 ( -0.054 0.100 0.002) 0.113 12.718 ( -0.126 -0.362 0.435) 0.580 12.744 ( -0.203 -0.863 -1.418) 1.673 12.786 ( -0.151 0.539 1.716) 1.805 12.874 ( 0.257 3.654 -1.731) 4.051 12.918 ( 0.248 -3.109 1.027) 3.283 13.181 ( -0.228 -0.027 -0.028) 0.231======================= Grid point 18 (13/171) =======================q-point: (-0.30 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.722 ( -3.145 -4.951 -0.234) 5.870 0.890 ( 3.697 1.784 1.417) 4.343 1.046 ( 8.649 -2.700 2.369) 9.365 1.120 ( 0.877 -0.763 -0.484) 1.259 1.125 ( 2.385 0.828 -1.582) 2.979 1.294 ( 4.495 -1.194 2.541) 5.299 1.371 ( 2.582 1.720 -4.489) 5.457 1.443 ( -2.949 -0.288 -0.825) 3.076 1.453 ( -5.438 -1.631 -1.760) 5.944 1.613 ( -3.345 0.930 -1.344) 3.723 1.820 ( -4.002 1.300 3.235) 5.307 1.860 ( -3.381 0.482 0.079) 3.416 1.973 ( -3.671 0.239 3.455) 5.047 2.044 ( -1.112 0.795 -3.199) 3.479 2.154 ( 0.733 -4.002 0.241) 4.076 2.290 ( -2.647 -2.607 2.042) 4.239 2.378 ( -2.056 2.374 -1.861) 3.650 2.425 ( 0.435 -0.423 1.480) 1.600 2.524 ( -0.775 0.365 -1.815) 2.007 2.544 ( 1.235 0.705 0.074) 1.424 2.665 ( 5.646 -1.542 -0.529) 5.876 2.725 ( 3.864 -1.089 0.145) 4.017 3.323 ( 29.960 -0.536 -0.120) 29.965 3.355 ( 29.051 0.631 0.182) 29.059 4.299 ( -18.804 0.114 -0.079) 18.804 4.324 ( -18.017 0.683 -0.059) 18.030 4.538 ( 0.550 0.988 -0.025) 1.131 4.550 ( -0.362 0.073 0.238) 0.439 4.621 ( -1.562 -0.159 0.009) 1.570 4.678 ( -2.076 0.399 0.206) 2.124 4.723 ( -0.486 -0.028 0.492) 0.693 4.762 ( 1.056 0.205 -0.779) 1.328 6.044 ( 1.913 -1.309 0.731) 2.431 6.059 ( 2.249 -1.588 -0.653) 2.829 6.095 ( -0.397 0.628 -0.476) 0.883 6.170 ( 0.350 1.831 0.357) 1.898 7.099 ( -2.052 -0.154 -0.191) 2.067 7.148 ( -2.187 0.620 0.254) 2.288 7.904 ( 1.914 -0.181 0.079) 1.924 7.910 ( 2.586 -0.324 -0.058) 2.607 12.230 ( -0.404 -0.410 -0.142) 0.593 12.247 ( 0.040 0.058 0.050) 0.086 12.711 ( 0.590 -1.177 0.045) 1.317 12.740 ( 0.005 0.957 -0.595) 1.127 12.797 ( -0.125 -0.215 1.469) 1.490 12.882 ( 0.729 -2.749 0.885) 2.978 12.899 ( 0.496 4.550 -1.817) 4.924 13.191 ( -1.004 -0.399 0.236) 1.105======================= Grid point 19 (14/171) =======================q-point: (-0.20 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.736 ( 3.288 -3.507 2.507) 5.422 0.761 ( 6.829 -4.421 -2.754) 8.589 0.866 ( 7.891 -2.670 -1.196) 8.416 1.047 ( 3.078 -0.554 0.273) 3.139 1.146 ( 0.891 -1.687 1.494) 2.423 1.236 ( 2.134 -1.025 4.734) 5.293 1.291 ( 3.390 0.207 -6.478) 7.315 1.477 ( -0.417 1.456 -0.176) 1.525 1.538 ( -5.908 -0.639 -0.701) 5.984 1.715 ( -6.545 2.742 -0.443) 7.110 1.906 ( 0.570 0.946 0.593) 1.254 1.943 ( -5.705 2.233 1.562) 6.323 2.029 ( -0.497 1.943 0.423) 2.050 2.057 ( -0.457 -2.191 -0.648) 2.330 2.096 ( 1.243 -5.065 0.158) 5.217 2.330 ( -2.394 -3.160 4.292) 5.843 2.396 ( 3.153 -0.878 -2.174) 3.929 2.430 ( -2.283 2.813 -1.242) 3.830 2.501 ( 6.199 -2.003 -0.717) 6.554 2.531 ( 0.870 0.886 -0.273) 1.271 2.573 ( -0.940 -1.034 -0.298) 1.429 2.622 ( 6.675 -1.517 0.104) 6.846 2.799 ( 26.809 -1.043 -0.134) 26.829 2.845 ( 29.320 2.203 -0.024) 29.402 4.528 ( 1.099 1.157 -0.016) 1.596 4.534 ( 0.017 0.324 0.006) 0.325 4.578 ( -12.836 0.077 -0.077) 12.837 4.607 ( -11.454 0.577 -0.057) 11.468 4.667 ( -3.295 0.529 0.173) 3.341 4.730 ( 0.393 0.144 1.032) 1.114 4.735 ( -2.485 0.507 -0.097) 2.538 4.751 ( -2.329 0.240 -0.934) 2.521 5.994 ( 3.124 -0.929 0.209) 3.266 6.010 ( 1.728 -1.572 -0.267) 2.351 6.095 ( 0.491 0.220 -0.220) 0.582 6.164 ( 1.878 1.365 0.149) 2.326 7.151 ( -4.201 -0.069 -0.128) 4.204 7.208 ( -3.925 0.846 0.209) 4.021 7.843 ( 4.642 -0.677 -0.025) 4.691 7.852 ( 3.980 -0.217 0.022) 3.986 12.239 ( -1.044 -0.224 -0.039) 1.068 12.246 ( 0.063 0.025 -0.015) 0.070 12.686 ( 1.413 -0.654 -0.087) 1.560 12.745 ( 0.852 1.689 0.163) 1.899 12.791 ( 1.229 -0.874 0.271) 1.532 12.846 ( 0.176 -2.955 0.469) 2.997 12.936 ( -0.505 5.950 -0.648) 6.007 13.208 ( -1.286 -1.128 0.285) 1.734======================= Grid point 20 (15/171) =======================q-point: (-0.10 0.10 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.492 ( 12.776 -6.845 -0.000) 14.494 0.636 ( 9.888 -6.594 -0.000) 11.885 0.702 ( 9.148 -2.494 -0.000) 9.482 1.048 ( 7.219 -2.822 -0.000) 7.751 1.078 ( -6.710 0.021 0.000) 6.710 1.193 ( 9.085 -0.166 -0.000) 9.087 1.249 ( -1.692 -1.135 0.000) 2.038 1.478 ( 2.515 1.625 -0.000) 2.994 1.623 ( -1.983 1.738 0.000) 2.637 1.674 ( 18.561 -2.835 -0.000) 18.776 1.802 ( 26.411 -3.786 -0.000) 26.682 1.868 ( -5.458 1.630 0.000) 5.697 2.065 ( -2.676 -0.950 0.000) 2.840 2.084 ( -0.627 2.288 0.000) 2.373 2.088 ( -5.916 2.236 0.000) 6.324 2.308 ( 8.571 -0.853 -0.000) 8.613 2.311 ( 0.205 0.030 -0.000) 0.207 2.410 ( -0.865 -3.354 -0.000) 3.464 2.467 ( 1.462 2.645 0.000) 3.022 2.488 ( 5.064 -0.437 -0.000) 5.082 2.494 ( 10.197 2.345 -0.000) 10.463 2.520 ( 1.139 -0.323 -0.000) 1.184 2.569 ( 1.433 -1.486 -0.000) 2.064 2.617 ( -4.572 -4.023 0.000) 6.090 4.512 ( 1.331 1.090 -0.000) 1.721 4.517 ( 1.181 0.144 -0.000) 1.190 4.678 ( 2.533 0.607 -0.000) 2.605 4.727 ( -3.542 0.285 0.000) 3.554 4.746 ( -6.254 0.476 0.000) 6.273 4.757 ( -1.684 0.053 0.000) 1.685 4.813 ( -7.749 0.255 0.000) 7.753 4.840 ( -5.283 0.915 0.000) 5.362 5.936 ( 2.848 -0.394 -0.000) 2.875 5.974 ( 1.084 -1.255 -0.000) 1.659 6.082 ( 0.941 -0.139 -0.000) 0.951 6.128 ( 3.093 0.520 -0.000) 3.136 7.239 ( -6.133 -0.028 0.000) 6.133 7.293 ( -5.007 0.925 0.000) 5.092 7.747 ( 5.832 -0.660 -0.000) 5.869 7.765 ( 5.970 -0.172 -0.000) 5.972 12.247 ( -0.121 0.036 0.000) 0.126 12.260 ( -1.342 0.079 0.000) 1.345 12.656 ( 1.982 0.880 -0.000) 2.168 12.711 ( 3.912 -0.434 -0.000) 3.936 12.768 ( 0.745 0.682 -0.000) 1.010 12.842 ( -1.219 -2.103 -0.000) 2.431 12.996 ( -1.219 6.592 0.000) 6.704 13.216 ( -0.889 -2.221 -0.000) 2.392======================= Grid point 23 (16/171) =======================q-point: ( 0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.213 ( 0.000 0.000 12.190) 12.190 0.221 ( 0.000 0.000 12.429) 12.429 0.438 ( 0.000 0.000 25.100) 25.100 0.514 ( 0.000 0.000 9.035) 9.035 0.787 ( -0.000 -0.000 -6.286) 6.286 0.814 ( -0.000 -0.000 -3.144) 3.144 1.195 ( -0.000 -0.000 -8.034) 8.034 1.302 ( 0.000 0.000 3.178) 3.178 1.308 ( -0.000 -0.000 -5.267) 5.267 1.412 ( -0.000 -0.000 -0.126) 0.126 1.816 ( 0.000 0.000 1.474) 1.474 1.987 ( 0.000 0.000 0.836) 0.836 1.998 ( 0.000 0.000 3.105) 3.105 2.103 ( -0.000 -0.000 -0.463) 0.463 2.120 ( -0.000 -0.000 -2.705) 2.705 2.213 ( -0.000 -0.000 -14.590) 14.590 2.225 ( 0.000 0.000 0.428) 0.428 2.294 ( 0.000 0.000 1.812) 1.812 2.346 ( -0.000 -0.000 -2.778) 2.778 2.388 ( -0.000 -0.000 -0.866) 0.866 2.570 ( 0.000 0.000 0.633) 0.633 2.582 ( 0.000 0.000 0.033) 0.033 2.702 ( 0.000 0.000 10.644) 10.644 3.026 ( -0.000 -0.000 -2.362) 2.362 4.497 ( -0.000 -0.000 -0.111) 0.111 4.497 ( -0.000 -0.000 -0.139) 0.139 4.626 ( 0.000 0.000 1.496) 1.496 4.756 ( -0.000 -0.000 -2.196) 2.196 4.801 ( 0.000 0.000 0.928) 0.928 4.869 ( -0.000 -0.000 -0.893) 0.893 4.892 ( 0.000 0.000 0.866) 0.866 4.931 ( -0.000 -0.000 -0.390) 0.390 5.946 ( 0.000 0.000 0.251) 0.251 5.957 ( -0.000 -0.000 -0.046) 0.046 6.042 ( 0.000 0.000 0.287) 0.287 6.057 ( -0.000 -0.000 -0.114) 0.114 7.452 ( 0.000 0.000 0.150) 0.150 7.456 ( 0.000 0.000 0.027) 0.027 7.525 ( 0.000 0.000 0.354) 0.354 7.547 ( -0.000 -0.000 -0.244) 0.244 12.256 ( 0.000 0.000 0.223) 0.223 12.286 ( -0.000 -0.000 -0.569) 0.569 12.455 ( 0.000 0.000 0.785) 0.785 12.561 ( -0.000 -0.000 -3.100) 3.100 12.692 ( 0.000 0.000 3.465) 3.465 12.838 ( -0.000 -0.000 -1.492) 1.492 13.112 ( -0.000 -0.000 -0.062) 0.062 13.115 ( -0.000 -0.000 -0.156) 0.156======================= Grid point 24 (17/171) =======================q-point: ( 0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.426 ( -11.472 3.384 8.186) 14.494 0.525 ( -5.953 4.347 15.736) 17.377 0.643 ( -7.144 2.236 9.457) 12.061 0.769 ( -14.113 4.180 -2.145) 14.874 0.900 ( -23.677 2.500 2.737) 23.966 1.085 ( -14.945 1.048 -6.670) 16.400 1.173 ( -1.310 0.251 -7.313) 7.433 1.252 ( -8.944 1.627 -1.850) 9.277 1.399 ( -7.991 -2.812 1.536) 8.610 1.477 ( -5.325 3.861 -1.063) 6.662 1.765 ( 4.312 -0.784 3.804) 5.803 1.954 ( 2.418 -2.845 0.158) 3.736 2.060 ( 0.504 -0.535 -3.965) 4.033 2.095 ( -0.660 0.269 -0.257) 0.757 2.118 ( -2.415 -1.955 -3.039) 4.346 2.128 ( 0.380 -0.348 -9.335) 9.349 2.219 ( 1.356 1.558 1.149) 2.363 2.329 ( -3.145 -0.200 0.845) 3.263 2.364 ( -3.054 0.742 -3.362) 4.602 2.390 ( -1.122 -0.767 -1.015) 1.697 2.562 ( 1.902 2.019 1.060) 2.970 2.573 ( 1.254 1.032 0.250) 1.643 2.715 ( 2.972 -0.530 7.888) 8.446 2.819 ( 12.960 0.967 6.415) 14.493 4.499 ( -0.726 -0.712 -0.166) 1.031 4.501 ( -0.764 -0.414 -0.076) 0.873 4.654 ( -2.064 -0.057 1.693) 2.671 4.753 ( 0.389 -0.356 -1.564) 1.650 4.788 ( 1.311 -0.163 0.670) 1.481 4.832 ( 3.358 -0.491 -0.785) 3.483 4.890 ( 2.279 -0.588 -0.727) 2.464 4.909 ( 2.767 0.148 -0.554) 2.826 5.923 ( -0.071 -1.005 1.345) 1.680 5.957 ( -0.049 0.855 -0.039) 0.857 6.068 ( -1.939 -0.570 0.181) 2.030 6.080 ( -2.005 0.908 0.341) 2.228 7.358 ( 7.131 -0.029 0.151) 7.133 7.373 ( 5.311 -0.212 -0.727) 5.364 7.634 ( -7.116 -0.093 -0.153) 7.118 7.649 ( -7.119 0.773 -0.198) 7.163 12.254 ( 0.322 -0.022 0.267) 0.419 12.276 ( 0.765 -0.094 -0.519) 0.929 12.578 ( -4.857 -1.444 -2.293) 5.562 12.619 ( -8.071 -0.546 -4.993) 9.506 12.722 ( -0.870 1.956 2.256) 3.110 12.828 ( 0.778 0.957 -1.657) 2.066 13.076 ( 1.601 -4.740 0.346) 5.015 13.152 ( -1.681 3.487 -1.955) 4.337======================= Grid point 25 (18/171) =======================q-point: ( 0.40 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.622 ( -5.715 0.577 5.993) 8.301 0.723 ( -5.400 6.609 6.764) 10.890 0.817 ( -6.540 2.283 7.002) 9.849 0.907 ( -7.153 1.783 -5.551) 9.229 1.044 ( 2.561 2.235 -3.207) 4.673 1.143 ( -1.044 2.144 -6.159) 6.605 1.322 ( -10.482 -0.427 4.954) 11.602 1.454 ( -4.104 -1.347 -1.630) 4.617 1.670 ( -1.019 0.377 2.971) 3.164 1.739 ( -15.985 1.843 4.634) 16.745 1.775 ( -18.784 3.571 -1.675) 19.194 1.870 ( 3.629 -2.343 -0.186) 4.324 2.007 ( 0.265 -1.572 -6.047) 6.253 2.036 ( 1.226 -2.391 -3.789) 4.645 2.085 ( 1.413 0.490 -0.958) 1.776 2.140 ( 1.144 2.837 -3.110) 4.362 2.318 ( -10.443 0.549 1.665) 10.589 2.403 ( -6.555 -2.409 -1.197) 7.085 2.422 ( -6.580 -0.540 0.268) 6.607 2.437 ( -5.370 1.666 -2.541) 6.170 2.553 ( 2.715 2.605 1.292) 3.978 2.572 ( -1.364 2.843 0.296) 3.167 2.655 ( 4.996 -2.818 2.509) 6.261 2.709 ( 2.832 -0.257 5.446) 6.143 4.511 ( -1.401 -0.958 -0.117) 1.702 4.516 ( -1.343 -0.564 -0.037) 1.457 4.691 ( -1.318 -0.823 0.856) 1.774 4.718 ( 2.632 -0.426 -0.365) 2.691 4.749 ( 5.807 -0.286 0.192) 5.818 4.771 ( 1.138 -0.040 0.659) 1.316 4.799 ( 7.258 -0.149 -0.640) 7.288 4.826 ( 5.880 -0.641 -0.997) 5.999 5.944 ( -2.127 -0.280 0.325) 2.169 5.978 ( -1.305 1.436 0.170) 1.948 6.095 ( -1.443 -0.441 0.765) 1.692 6.125 ( -2.387 -0.244 -0.215) 2.409 7.246 ( 5.839 -0.078 0.561) 5.867 7.276 ( 5.065 -0.544 -1.019) 5.195 7.749 ( -6.114 0.433 0.139) 6.131 7.765 ( -5.678 0.649 -0.101) 5.716 12.249 ( 0.296 -0.092 0.139) 0.340 12.258 ( 0.959 0.089 -0.126) 0.972 12.644 ( -3.973 -0.391 -0.281) 4.002 12.693 ( -4.037 -1.648 -2.422) 4.988 12.762 ( -1.305 1.342 0.979) 2.113 12.814 ( 1.055 1.783 -1.386) 2.493 13.015 ( 1.124 -5.190 0.897) 5.386 13.183 ( -0.097 2.779 -1.577) 3.197======================= Grid point 26 (19/171) =======================q-point: ( 0.50 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.684 ( -1.835 -1.422 -1.327) 2.674 0.825 ( -0.922 3.903 1.473) 4.273 0.954 ( -4.472 2.067 4.109) 6.416 1.021 ( -8.028 0.007 -1.094) 8.103 1.079 ( -2.209 2.408 -1.842) 3.751 1.168 ( -2.724 4.301 -1.612) 5.340 1.442 ( -3.589 -1.542 3.705) 5.384 1.488 ( -1.313 -1.254 0.280) 1.837 1.612 ( 5.962 0.878 5.028) 7.849 1.728 ( 6.176 -1.831 -1.461) 6.606 1.856 ( 2.555 0.018 -2.284) 3.427 1.907 ( 1.713 -0.457 -1.263) 2.177 1.940 ( 4.384 -1.110 -1.157) 4.668 2.051 ( 1.519 1.157 -3.635) 4.106 2.131 ( -3.945 2.013 3.057) 5.381 2.205 ( -5.256 1.598 -3.337) 6.428 2.404 ( -0.050 -0.779 -0.637) 1.007 2.496 ( 2.350 -0.788 2.368) 3.428 2.539 ( 1.672 -1.119 -0.039) 2.013 2.540 ( -5.397 2.102 1.198) 5.915 2.601 ( -3.781 0.963 0.655) 3.957 2.614 ( -6.743 1.858 -0.153) 6.996 2.813 ( -26.950 0.267 0.825) 26.964 2.845 ( -24.492 -1.225 -0.158) 24.524 4.529 ( -1.362 -0.968 0.036) 1.671 4.533 ( -0.733 -0.705 -0.023) 1.017 4.586 ( 12.972 -0.243 0.514) 12.984 4.605 ( 12.851 -0.426 -0.488) 12.867 4.667 ( 3.178 -0.182 0.653) 3.249 4.697 ( 1.982 -0.666 -1.369) 2.499 4.734 ( 1.566 -1.148 -0.045) 1.942 4.778 ( 0.105 0.519 0.645) 0.835 5.986 ( -2.588 0.389 -0.166) 2.622 6.020 ( -2.010 1.789 0.244) 2.702 6.116 ( -0.855 -0.645 1.163) 1.581 6.150 ( -1.249 -0.956 -0.914) 1.819 7.163 ( 4.143 -0.178 0.783) 4.220 7.190 ( 3.791 -0.486 -0.989) 3.948 7.846 ( -4.508 0.581 0.145) 4.548 7.850 ( -3.987 0.382 -0.140) 4.008 12.242 ( 0.487 0.088 0.140) 0.515 12.247 ( 0.409 0.127 0.008) 0.428 12.696 ( -2.070 -0.146 0.772) 2.214 12.726 ( -2.309 -1.580 -1.320) 3.094 12.779 ( -0.045 -0.089 -0.234) 0.254 12.821 ( -0.093 3.449 -0.857) 3.555 12.974 ( 0.130 -4.570 1.349) 4.767 13.187 ( 0.634 1.400 -0.849) 1.756======================= Grid point 27 (20/171) =======================q-point: ( 0.60 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.699 ( -3.001 -3.575 -1.470) 4.894 0.861 ( -1.012 1.952 -0.023) 2.199 1.037 ( -2.427 2.637 1.389) 3.844 1.096 ( 0.315 2.199 -1.627) 2.753 1.166 ( -8.537 -1.087 0.768) 8.640 1.265 ( -4.320 2.307 -0.230) 4.903 1.449 ( 2.629 -2.139 2.144) 4.010 1.481 ( 1.311 -1.147 0.461) 1.802 1.527 ( 7.270 0.249 1.584) 7.445 1.616 ( 4.210 0.441 -0.993) 4.347 1.823 ( 1.798 0.618 1.556) 2.457 1.837 ( 4.157 0.395 2.634) 4.937 1.876 ( 0.009 -1.169 -4.186) 4.346 2.025 ( 0.696 1.173 -3.165) 3.446 2.177 ( -0.855 -0.563 0.761) 1.275 2.264 ( -1.552 1.706 0.702) 2.410 2.357 ( 1.492 -3.974 -1.687) 4.568 2.463 ( 2.030 0.274 2.668) 3.364 2.507 ( 0.299 -0.375 -1.888) 1.948 2.583 ( 1.289 1.467 0.996) 2.192 2.693 ( -4.458 1.147 1.350) 4.797 2.713 ( -4.076 1.063 -0.841) 4.295 3.331 ( -29.687 0.042 0.376) 29.689 3.345 ( -29.305 0.069 -0.438) 29.308 4.303 ( 18.881 -0.619 0.149) 18.891 4.324 ( 18.360 -0.111 -0.033) 18.361 4.539 ( -0.499 -0.880 0.073) 1.014 4.542 ( -0.051 -0.464 -0.239) 0.524 4.626 ( 1.608 -0.027 0.343) 1.645 4.660 ( 1.105 0.370 -0.770) 1.397 4.719 ( -0.198 -1.335 0.070) 1.352 4.782 ( 0.313 0.498 0.403) 0.713 6.032 ( -2.235 0.811 -0.180) 2.385 6.066 ( -1.470 1.335 -0.005) 1.986 6.124 ( 0.071 -0.625 1.479) 1.607 6.148 ( -0.251 -1.050 -1.254) 1.654 7.108 ( 2.318 -0.372 0.347) 2.373 7.137 ( 1.810 0.003 -0.410) 1.856 7.901 ( -2.037 0.114 -0.054) 2.041 7.912 ( -2.455 0.418 0.033) 2.491 12.236 ( 0.445 0.091 0.269) 0.528 12.244 ( -0.012 0.101 -0.175) 0.202 12.718 ( -0.599 -0.491 0.737) 1.069 12.737 ( -0.997 -1.360 -1.327) 2.146 12.784 ( -0.480 0.190 1.042) 1.163 12.843 ( 0.327 4.063 -1.494) 4.341 12.950 ( -0.200 -4.032 1.136) 4.193 13.181 ( 0.400 0.415 -0.317) 0.658======================= Grid point 28 (21/171) =======================q-point: (-0.30 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.710 ( -3.164 -6.480 -0.745) 7.250 0.898 ( -0.768 2.541 0.844) 2.786 1.096 ( -1.279 0.428 0.496) 1.437 1.103 ( 0.411 5.231 -0.023) 5.247 1.247 ( 2.901 -2.036 -0.257) 3.554 1.321 ( -1.777 -0.700 0.352) 1.942 1.383 ( -0.479 -3.147 -0.153) 3.187 1.417 ( 3.579 -0.338 0.855) 3.695 1.432 ( 2.762 0.084 -2.086) 3.462 1.584 ( 1.042 1.605 -0.240) 1.929 1.795 ( 0.380 0.144 2.319) 2.354 1.820 ( -0.276 0.573 -1.008) 1.192 1.912 ( -4.361 -0.341 1.223) 4.542 2.016 ( 0.104 1.206 -2.125) 2.446 2.177 ( -0.355 -2.068 -0.031) 2.099 2.291 ( -0.756 -3.055 2.766) 4.189 2.325 ( -1.459 0.688 -2.826) 3.254 2.448 ( 1.097 -0.073 1.942) 2.232 2.501 ( -0.418 0.471 -1.781) 1.889 2.567 ( 1.907 1.303 0.410) 2.345 2.731 ( 0.981 -0.321 0.021) 1.032 2.759 ( -0.591 -0.002 -0.005) 0.591 3.693 ( 0.311 -0.009 -0.000) 0.312 3.695 ( -0.419 0.055 0.000) 0.422 4.032 ( -0.156 -0.531 0.020) 0.554 4.073 ( 0.359 0.603 -0.024) 0.702 4.538 ( 0.200 0.333 -0.028) 0.390 4.541 ( -0.537 -0.409 0.052) 0.677 4.612 ( 0.153 -0.133 0.033) 0.205 4.656 ( -0.371 0.397 -0.108) 0.555 4.718 ( -0.583 -0.899 0.072) 1.073 4.776 ( 0.922 0.500 -0.017) 1.048 6.069 ( -1.138 0.624 0.306) 1.333 6.077 ( 0.111 -0.568 -0.436) 0.724 6.105 ( 1.716 -1.323 0.151) 2.172 6.154 ( -0.630 1.367 -0.021) 1.506 7.084 ( 0.185 -0.339 -0.000) 0.387 7.124 ( -0.234 0.403 0.000) 0.466 7.920 ( -0.137 -0.099 -0.000) 0.169 7.935 ( 0.104 0.116 0.000) 0.156 12.230 ( 0.166 -0.304 -0.001) 0.347 12.246 ( -0.088 0.161 0.001) 0.183 12.724 ( -0.221 -0.713 0.863) 1.141 12.733 ( -0.252 -0.807 -1.250) 1.509 12.799 ( -0.458 -0.013 1.029) 1.126 12.861 ( 0.603 4.889 -1.061) 5.039 12.924 ( 0.369 -3.585 0.437) 3.630 13.181 ( -0.369 -0.043 -0.018) 0.372======================= Grid point 29 (22/171) =======================q-point: (-0.20 0.20 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.721 ( -3.883 -5.641 -0.000) 6.849 0.896 ( 4.135 1.866 -0.000) 4.536 1.060 ( 11.298 -4.267 -0.000) 12.077 1.110 ( 4.164 4.218 -0.000) 5.928 1.122 ( -3.242 -2.407 0.000) 4.038 1.313 ( 1.669 -1.349 -0.000) 2.147 1.342 ( 6.048 1.610 -0.000) 6.259 1.441 ( -2.474 1.208 0.000) 2.753 1.444 ( -6.402 -2.944 0.000) 7.047 1.606 ( -3.365 0.933 0.000) 3.492 1.841 ( -4.199 1.073 0.000) 4.334 1.855 ( -3.134 1.204 0.000) 3.357 1.998 ( -5.243 -1.013 0.000) 5.340 2.020 ( 0.250 1.962 0.000) 1.978 2.156 ( 0.407 -4.440 -0.000) 4.459 2.301 ( -3.165 -3.516 0.000) 4.731 2.368 ( -2.084 2.736 0.000) 3.439 2.433 ( 1.100 -0.507 -0.000) 1.211 2.514 ( -1.086 0.572 0.000) 1.228 2.545 ( 1.613 1.027 -0.000) 1.912 2.663 ( 5.738 -1.598 -0.000) 5.956 2.725 ( 3.854 -1.100 -0.000) 4.008 3.323 ( 29.975 -0.565 -0.000) 29.980 3.356 ( 29.038 0.684 -0.000) 29.046 4.299 ( -18.796 0.064 0.000) 18.796 4.323 ( -17.973 0.738 0.000) 17.989 4.538 ( 0.548 0.989 0.000) 1.131 4.552 ( -0.388 0.038 0.000) 0.390 4.621 ( -1.602 -0.154 0.000) 1.609 4.679 ( -2.121 0.494 0.000) 2.178 4.726 ( -0.882 -0.366 0.000) 0.955 4.758 ( 1.492 0.436 -0.000) 1.554 6.049 ( 1.458 -1.595 -0.000) 2.161 6.055 ( 2.730 -1.361 -0.000) 3.051 6.093 ( -0.408 0.626 0.000) 0.748 6.171 ( 0.362 1.897 0.000) 1.931 7.098 ( -2.036 -0.190 0.000) 2.045 7.150 ( -2.217 0.667 0.000) 2.315 7.904 ( 1.879 -0.194 -0.000) 1.889 7.910 ( 2.622 -0.308 -0.000) 2.640 12.229 ( -0.405 -0.436 0.000) 0.595 12.247 ( 0.049 0.065 -0.000) 0.081 12.711 ( 0.636 -1.513 -0.000) 1.642 12.738 ( -0.185 1.175 0.000) 1.190 12.804 ( -0.162 -0.606 -0.000) 0.628 12.886 ( 1.143 -3.267 -0.000) 3.461 12.890 ( 0.230 5.551 0.000) 5.556 13.193 ( -1.072 -0.401 0.000) 1.145======================= Grid point 34 (23/171) =======================q-point: ( 0.30 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.315 ( 0.000 0.000 11.384) 11.384 0.323 ( 0.000 0.000 11.222) 11.222 0.588 ( 0.000 0.000 6.957) 6.957 0.648 ( 0.000 0.000 23.841) 23.841 0.726 ( -0.000 -0.000 -7.861) 7.861 0.794 ( -0.000 -0.000 -0.430) 0.430 1.115 ( -0.000 -0.000 -10.519) 10.519 1.248 ( -0.000 -0.000 -9.087) 9.087 1.331 ( 0.000 0.000 3.455) 3.455 1.409 ( -0.000 -0.000 -0.667) 0.667 1.834 ( 0.000 0.000 2.697) 2.697 1.997 ( 0.000 0.000 1.450) 1.450 2.026 ( 0.000 0.000 3.333) 3.333 2.093 ( -0.000 -0.000 -13.196) 13.196 2.094 ( -0.000 -0.000 -3.379) 3.379 2.098 ( -0.000 -0.000 -0.821) 0.821 2.231 ( 0.000 0.000 1.087) 1.087 2.311 ( 0.000 0.000 2.193) 2.193 2.320 ( -0.000 -0.000 -3.349) 3.349 2.378 ( -0.000 -0.000 -1.292) 1.292 2.575 ( 0.000 0.000 0.546) 0.546 2.582 ( 0.000 0.000 0.019) 0.019 2.787 ( 0.000 0.000 9.149) 9.149 3.000 ( -0.000 -0.000 -3.575) 3.575 4.496 ( -0.000 -0.000 -0.107) 0.107 4.496 ( -0.000 -0.000 -0.141) 0.141 4.642 ( 0.000 0.000 2.120) 2.120 4.735 ( -0.000 -0.000 -2.724) 2.724 4.811 ( 0.000 0.000 1.270) 1.270 4.860 ( -0.000 -0.000 -1.234) 1.234 4.900 ( 0.000 0.000 0.935) 0.935 4.927 ( -0.000 -0.000 -0.555) 0.555 5.949 ( 0.000 0.000 0.309) 0.309 5.957 ( -0.000 -0.000 -0.103) 0.103 6.045 ( 0.000 0.000 0.361) 0.361 6.055 ( -0.000 -0.000 -0.189) 0.189 7.453 ( 0.000 0.000 0.173) 0.173 7.456 ( 0.000 0.000 0.004) 0.004 7.528 ( 0.000 0.000 0.466) 0.466 7.545 ( -0.000 -0.000 -0.356) 0.356 12.259 ( 0.000 0.000 0.371) 0.371 12.280 ( -0.000 -0.000 -0.718) 0.718 12.463 ( 0.000 0.000 1.211) 1.211 12.535 ( -0.000 -0.000 -2.890) 2.890 12.722 ( 0.000 0.000 3.458) 3.458 12.823 ( -0.000 -0.000 -2.120) 2.120 13.111 ( -0.000 -0.000 -0.045) 0.045 13.114 ( -0.000 -0.000 -0.173) 0.173======================= Grid point 35 (24/171) =======================q-point: ( 0.40 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( -10.121 3.520 8.556) 13.713 0.640 ( -8.681 2.013 8.558) 12.355 0.726 ( -7.019 1.876 9.532) 11.985 0.746 ( -4.897 3.654 -1.014) 6.193 0.941 ( -22.893 2.246 5.874) 23.741 1.028 ( -11.200 1.528 -6.304) 12.943 1.109 ( -5.624 -0.121 -7.142) 9.091 1.222 ( -12.810 2.844 -5.134) 14.091 1.412 ( -7.378 -2.171 1.356) 7.809 1.469 ( -6.860 3.551 -0.784) 7.764 1.802 ( 3.891 -0.632 4.907) 6.294 1.956 ( 2.848 -3.709 0.243) 4.682 2.011 ( 2.315 -1.095 -10.299) 10.613 2.041 ( 1.183 1.466 -3.779) 4.222 2.097 ( -1.468 -0.637 0.220) 1.615 2.118 ( -2.077 -0.292 -0.374) 2.130 2.237 ( -0.326 0.836 2.819) 2.959 2.331 ( -2.726 0.617 -3.251) 4.288 2.341 ( -2.526 0.170 0.931) 2.698 2.381 ( -1.265 -0.557 -1.227) 1.848 2.567 ( 1.462 1.276 0.330) 1.969 2.575 ( 1.393 1.832 0.232) 2.313 2.776 ( 4.539 -1.134 6.282) 7.833 2.853 ( 10.171 -0.584 1.749) 10.337 4.498 ( -0.739 -0.787 -0.128) 1.088 4.501 ( -0.812 -0.440 -0.057) 0.925 4.671 ( -1.853 -0.149 2.189) 2.872 4.736 ( -0.546 -0.195 -2.280) 2.352 4.795 ( 1.757 -0.270 0.983) 2.031 4.824 ( 3.029 -0.463 -1.033) 3.233 4.887 ( 2.686 -0.447 0.001) 2.723 4.904 ( 2.856 0.290 -0.599) 2.932 5.932 ( 0.044 -1.209 0.798) 1.449 5.957 ( -0.107 0.923 -0.054) 0.930 6.070 ( -2.170 -0.744 0.131) 2.298 6.083 ( -2.120 0.888 0.210) 2.308 7.359 ( 6.921 -0.085 0.174) 6.924 7.368 ( 5.830 -0.009 -0.467) 5.849 7.633 ( -7.165 -0.082 0.084) 7.166 7.647 ( -7.169 0.949 -0.252) 7.236 12.256 ( 0.366 -0.037 0.389) 0.535 12.271 ( 0.634 -0.032 -0.594) 0.869 12.561 ( -5.794 -1.262 -1.579) 6.136 12.585 ( -6.991 0.935 -2.893) 7.623 12.745 ( -0.462 1.111 2.832) 3.077 12.812 ( 0.546 0.880 -2.126) 2.365 13.078 ( 1.551 -4.178 0.205) 4.462 13.140 ( -1.234 3.156 -1.026) 3.540======================= Grid point 36 (25/171) =======================q-point: ( 0.50 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( -2.874 -0.886 4.423) 5.349 0.772 ( -3.703 4.838 3.337) 6.946 0.869 ( -5.158 1.962 2.172) 5.931 0.878 ( -6.507 2.696 1.745) 7.256 1.019 ( -0.454 2.599 -2.104) 3.374 1.088 ( -2.363 3.018 -6.430) 7.486 1.360 ( -10.507 -1.125 3.716) 11.201 1.439 ( -4.919 -0.551 -1.872) 5.292 1.695 ( -5.198 1.255 2.742) 6.009 1.758 ( -19.607 4.337 -1.683) 20.152 1.786 ( -7.468 0.740 5.840) 9.509 1.867 ( 2.708 -2.683 -0.806) 3.896 1.939 ( -3.925 -2.249 -8.349) 9.496 2.018 ( 0.900 0.388 -1.112) 1.482 2.076 ( 3.395 -0.684 -0.897) 3.577 2.127 ( -0.074 2.196 -0.482) 2.250 2.334 ( -9.478 -0.015 1.897) 9.666 2.395 ( -6.304 -2.163 -0.481) 6.682 2.412 ( -7.118 1.206 -2.293) 7.574 2.429 ( -5.721 0.376 0.226) 5.738 2.560 ( 2.458 2.698 0.395) 3.671 2.574 ( -0.867 3.266 0.109) 3.381 2.673 ( 5.476 -4.375 1.616) 7.193 2.744 ( 3.492 0.001 2.755) 4.448 4.510 ( -1.440 -0.948 -0.080) 1.726 4.516 ( -1.385 -0.678 -0.015) 1.542 4.698 ( -0.466 -1.028 0.711) 1.334 4.715 ( 2.377 -0.379 -0.324) 2.428 4.751 ( 4.811 -0.366 0.212) 4.829 4.774 ( 0.848 0.396 0.071) 0.939 4.796 ( 7.208 -0.485 0.155) 7.226 4.817 ( 6.441 -0.428 -0.995) 6.532 5.946 ( -1.919 -0.460 0.173) 1.981 5.979 ( -1.376 1.475 0.102) 2.020 6.101 ( -1.900 -0.804 0.543) 2.133 6.123 ( -1.896 0.003 -0.208) 1.907 7.252 ( 5.601 -0.170 0.712) 5.649 7.267 ( 5.263 -0.367 -0.977) 5.365 7.750 ( -6.194 0.312 0.119) 6.203 7.764 ( -5.596 0.851 -0.098) 5.661 12.250 ( 0.427 -0.147 0.116) 0.466 12.257 ( 0.748 0.190 -0.106) 0.779 12.644 ( -4.731 -0.644 0.276) 4.783 12.673 ( -4.416 -0.970 -2.039) 4.960 12.772 ( -0.425 0.918 1.180) 1.554 12.803 ( 0.578 1.941 -1.217) 2.363 13.022 ( 0.964 -4.875 0.537) 4.998 13.172 ( -0.216 2.887 -0.923) 3.039======================= Grid point 37 (26/171) =======================q-point: ( 0.60 0.30 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.676 ( -1.121 -2.457 -0.486) 2.744 0.833 ( 0.132 3.610 0.468) 3.643 0.984 ( -3.778 1.515 2.333) 4.692 1.013 ( -8.657 0.899 -0.770) 8.737 1.067 ( -1.624 1.823 -0.907) 2.605 1.158 ( -4.369 5.144 -0.652) 6.781 1.465 ( -2.908 -1.885 1.438) 3.752 1.489 ( -2.131 -1.112 -0.067) 2.405 1.659 ( 6.238 0.769 5.587) 8.409 1.703 ( 6.709 -0.338 -4.300) 7.976 1.840 ( -0.157 -1.941 -1.133) 2.253 1.894 ( 2.145 0.308 -1.056) 2.411 1.950 ( 6.421 -0.602 1.996) 6.751 2.020 ( 1.107 0.903 -2.918) 3.249 2.156 ( -4.078 1.509 2.726) 5.132 2.180 ( -6.216 1.812 -2.656) 6.998 2.400 ( 0.298 -0.943 -0.291) 1.031 2.512 ( 2.034 0.470 1.185) 2.400 2.536 ( 3.098 -2.145 -0.379) 3.787 2.549 ( -5.879 1.359 0.557) 6.060 2.602 ( -6.886 1.265 -0.127) 7.002 2.615 ( -5.282 2.047 0.183) 5.667 2.819 ( -27.805 -0.132 0.413) 27.809 2.843 ( -22.283 -0.783 -0.133) 22.297 4.529 ( -1.422 -0.886 0.013) 1.676 4.533 ( -0.894 -0.833 -0.009) 1.222 4.590 ( 13.107 -0.426 0.409) 13.121 4.600 ( 12.785 -0.172 -0.430) 12.793 4.674 ( 3.285 -0.355 1.095) 3.481 4.685 ( 2.616 -0.544 -1.307) 2.975 4.734 ( 1.055 -1.232 -0.018) 1.622 4.782 ( -0.051 0.568 0.218) 0.611 5.985 ( -2.538 0.304 -0.054) 2.557 6.022 ( -1.996 1.799 0.078) 2.688 6.125 ( -1.253 -0.973 0.842) 1.796 6.142 ( -0.799 -0.629 -0.743) 1.259 7.170 ( 4.235 -0.389 0.695) 4.309 7.182 ( 3.658 -0.250 -0.773) 3.747 7.847 ( -4.554 0.521 0.123) 4.586 7.849 ( -3.912 0.457 -0.121) 3.941 12.243 ( 0.264 0.031 0.062) 0.273 12.247 ( 0.613 0.189 -0.005) 0.642 12.704 ( -2.312 -0.601 1.035) 2.603 12.714 ( -2.395 -1.267 -1.270) 2.992 12.778 ( -0.291 -0.167 -0.048) 0.339 12.816 ( 0.310 3.551 -0.324) 3.579 12.982 ( 0.014 -4.422 0.514) 4.451 13.182 ( 0.503 1.475 -0.339) 1.595======================= Grid point 38 (27/171) =======================q-point: (-0.30 -0.70 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.692 ( -3.449 -4.512 0.000) 5.679 0.861 ( -1.044 2.324 0.000) 2.548 1.045 ( -1.811 3.021 0.000) 3.522 1.087 ( -0.104 1.954 0.000) 1.957 1.169 ( -8.673 -1.119 0.000) 8.745 1.264 ( -3.997 2.463 0.000) 4.695 1.460 ( 1.316 -2.154 -0.000) 2.524 1.481 ( 2.514 -1.024 -0.000) 2.714 1.533 ( 8.718 -1.370 -0.000) 8.825 1.612 ( 3.777 2.091 -0.000) 4.317 1.837 ( 3.240 1.009 -0.000) 3.393 1.845 ( 2.297 -1.580 -0.000) 2.788 1.857 ( -0.430 0.271 0.000) 0.509 2.009 ( 0.545 1.176 0.000) 1.296 2.181 ( -0.664 -1.068 -0.000) 1.258 2.268 ( -2.378 2.335 0.000) 3.333 2.349 ( 1.934 -4.591 -0.000) 4.982 2.480 ( 2.040 0.197 -0.000) 2.049 2.493 ( 0.439 -0.263 -0.000) 0.512 2.588 ( 1.311 1.527 -0.000) 2.013 2.703 ( -3.742 0.933 0.000) 3.857 2.706 ( -4.648 1.245 0.000) 4.812 3.333 ( -29.597 -0.177 0.000) 29.598 3.343 ( -29.392 0.312 0.000) 29.393 4.304 ( 18.892 -0.705 -0.000) 18.906 4.324 ( 18.396 -0.015 -0.000) 18.396 4.540 ( -0.503 -0.852 -0.000) 0.989 4.541 ( -0.100 -0.526 -0.000) 0.536 4.627 ( 1.715 -0.117 -0.000) 1.719 4.656 ( 0.910 0.486 -0.000) 1.032 4.719 ( -0.215 -1.414 -0.000) 1.431 4.784 ( 0.403 0.541 -0.000) 0.674 6.032 ( -2.261 0.775 0.000) 2.390 6.066 ( -1.403 1.295 0.000) 1.909 6.135 ( 0.575 -1.067 -0.000) 1.212 6.138 ( -0.770 -0.528 0.000) 0.933 7.109 ( 2.395 -0.508 -0.000) 2.449 7.135 ( 1.720 0.149 -0.000) 1.726 7.901 ( -2.044 0.108 0.000) 2.047 7.912 ( -2.447 0.427 0.000) 2.484 12.238 ( 0.503 -0.016 -0.000) 0.504 12.243 ( -0.061 0.190 0.000) 0.199 12.724 ( -0.348 -0.241 0.000) 0.423 12.728 ( -1.226 -1.767 -0.000) 2.151 12.789 ( -0.951 -0.158 0.000) 0.964 12.835 ( 0.718 4.505 0.000) 4.562 12.955 ( -0.166 -4.004 -0.000) 4.007 13.180 ( 0.324 0.422 -0.000) 0.532======================= Grid point 46 (28/171) =======================q-point: ( 0.40 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.404 ( 0.000 0.000 8.999) 8.999 0.409 ( 0.000 0.000 8.407) 8.407 0.614 ( -0.000 -0.000 -0.627) 0.627 0.657 ( -0.000 -0.000 -7.668) 7.668 0.826 ( 0.000 0.000 8.121) 8.121 0.843 ( 0.000 0.000 21.611) 21.611 1.018 ( -0.000 -0.000 -11.888) 11.888 1.151 ( -0.000 -0.000 -13.681) 13.681 1.360 ( 0.000 0.000 3.092) 3.092 1.400 ( -0.000 -0.000 -1.472) 1.472 1.864 ( 0.000 0.000 4.565) 4.565 1.988 ( -0.000 -0.000 -9.702) 9.702 2.015 ( 0.000 0.000 1.528) 1.528 2.053 ( 0.000 0.000 2.860) 2.860 2.064 ( -0.000 -0.000 -3.453) 3.453 2.089 ( -0.000 -0.000 -1.354) 1.354 2.244 ( 0.000 0.000 1.949) 1.949 2.291 ( -0.000 -0.000 -3.324) 3.324 2.331 ( 0.000 0.000 2.255) 2.255 2.365 ( -0.000 -0.000 -1.715) 1.715 2.579 ( 0.000 0.000 0.350) 0.350 2.582 ( -0.000 -0.000 -0.041) 0.041 2.859 ( 0.000 0.000 7.611) 7.611 2.964 ( -0.000 -0.000 -4.834) 4.834 4.495 ( -0.000 -0.000 -0.058) 0.058 4.495 ( -0.000 -0.000 -0.095) 0.095 4.662 ( 0.000 0.000 2.595) 2.595 4.710 ( -0.000 -0.000 -2.935) 2.935 4.822 ( 0.000 0.000 1.482) 1.482 4.848 ( -0.000 -0.000 -1.460) 1.460 4.908 ( 0.000 0.000 0.894) 0.894 4.921 ( -0.000 -0.000 -0.693) 0.693 5.951 ( 0.000 0.000 0.306) 0.306 5.956 ( -0.000 -0.000 -0.180) 0.180 6.048 ( 0.000 0.000 0.376) 0.376 6.053 ( -0.000 -0.000 -0.269) 0.269 7.454 ( 0.000 0.000 0.154) 0.154 7.456 ( -0.000 -0.000 -0.045) 0.045 7.533 ( 0.000 0.000 0.517) 0.517 7.541 ( -0.000 -0.000 -0.449) 0.449 12.262 ( 0.000 0.000 0.533) 0.533 12.274 ( -0.000 -0.000 -0.747) 0.747 12.476 ( 0.000 0.000 1.658) 1.658 12.512 ( -0.000 -0.000 -2.535) 2.535 12.751 ( 0.000 0.000 3.298) 3.298 12.802 ( -0.000 -0.000 -2.633) 2.633 13.111 ( 0.000 0.000 0.008) 0.008 13.112 ( -0.000 -0.000 -0.143) 0.143======================= Grid point 47 (29/171) =======================q-point: ( 0.50 0.40 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.570 ( -9.132 3.144 8.291) 12.729 0.637 ( -8.677 2.797 -6.162) 11.004 0.781 ( -8.162 1.910 5.776) 10.180 0.791 ( -8.840 1.660 4.354) 9.993 0.968 ( -6.039 0.128 -0.683) 6.079 0.989 ( -3.571 2.917 -2.377) 5.187 1.077 ( -18.242 -1.497 1.048) 18.334 1.171 ( -18.451 5.584 -5.598) 20.074 1.421 ( -6.496 -2.005 0.569) 6.823 1.464 ( -8.077 3.463 -0.310) 8.794 1.852 ( 3.252 -0.418 6.826) 7.573 1.920 ( 2.821 -0.283 -9.142) 9.572 1.961 ( 2.904 -5.013 0.025) 5.793 2.024 ( 1.806 1.866 -0.936) 2.760 2.099 ( -2.185 -0.882 0.143) 2.360 2.115 ( -0.726 0.308 -0.196) 0.813 2.264 ( -1.402 0.470 3.238) 3.559 2.300 ( -2.639 1.256 -3.553) 4.600 2.353 ( -1.768 -0.486 1.455) 2.341 2.369 ( -1.628 -0.119 -1.315) 2.096 2.569 ( 1.366 1.051 0.083) 1.726 2.577 ( 1.372 1.933 0.077) 2.372 2.820 ( 6.428 -2.005 3.678) 7.673 2.854 ( 7.344 -0.430 -1.117) 7.441 4.497 ( -0.747 -0.835 -0.047) 1.121 4.500 ( -0.837 -0.442 -0.022) 0.947 4.690 ( -1.508 -0.441 2.266) 2.758 4.716 ( -1.277 0.161 -2.334) 2.665 4.804 ( 2.215 -0.369 1.166) 2.530 4.814 ( 2.652 -0.421 -1.171) 2.929 4.888 ( 2.980 -0.563 0.184) 3.038 4.899 ( 2.881 0.510 -0.350) 2.947 5.937 ( 0.061 -1.336 0.268) 1.364 5.956 ( -0.148 1.012 -0.030) 1.023 6.070 ( -2.242 -0.822 0.048) 2.388 6.084 ( -2.243 0.874 0.068) 2.408 7.360 ( 6.637 -0.201 0.123) 6.641 7.365 ( 6.308 0.161 -0.207) 6.313 7.634 ( -7.144 -0.163 0.086) 7.147 7.645 ( -7.205 1.102 -0.133) 7.290 12.260 ( 0.451 -0.116 0.436) 0.638 12.266 ( 0.494 0.076 -0.514) 0.717 12.552 ( -6.065 -0.970 -0.551) 6.167 12.569 ( -6.205 1.158 -0.894) 6.375 12.769 ( -0.091 0.819 2.730) 2.851 12.792 ( 0.219 0.879 -2.471) 2.632 13.079 ( 1.492 -3.913 0.067) 4.188 13.134 ( -0.952 2.954 -0.321) 3.120======================= Grid point 48 (30/171) =======================q-point: (-0.40 -0.60 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.690 ( -0.697 -1.740 -0.000) 1.874 0.780 ( -5.955 4.016 0.000) 7.183 0.877 ( -3.161 2.105 0.000) 3.798 0.895 ( -4.518 3.103 0.000) 5.481 1.016 ( -2.584 1.748 0.000) 3.120 1.050 ( -3.377 4.483 0.000) 5.613 1.379 ( -10.538 -2.016 0.000) 10.729 1.428 ( -5.140 0.385 0.000) 5.155 1.710 ( -8.422 1.419 0.000) 8.541 1.747 ( -15.632 4.583 0.000) 16.290 1.833 ( -2.076 -0.343 0.000) 2.104 1.849 ( -3.260 0.606 0.000) 3.316 1.895 ( -4.475 -4.912 0.000) 6.645 2.013 ( 0.502 1.521 0.000) 1.602 2.072 ( 4.373 -1.543 -0.000) 4.637 2.125 ( -0.729 2.159 0.000) 2.279 2.344 ( -8.843 -0.603 0.000) 8.864 2.395 ( -5.181 -2.049 0.000) 5.571 2.399 ( -8.510 1.895 0.000) 8.718 2.430 ( -5.921 0.199 0.000) 5.925 2.561 ( 2.402 2.769 -0.000) 3.666 2.574 ( -0.743 3.269 0.000) 3.352 2.680 ( 5.660 -4.822 -0.000) 7.436 2.756 ( 3.665 0.108 -0.000) 3.667 4.509 ( -1.456 -0.952 0.000) 1.740 4.516 ( -1.399 -0.714 0.000) 1.571 4.702 ( 0.022 -1.220 -0.000) 1.220 4.713 ( 2.186 -0.257 -0.000) 2.201 4.752 ( 4.219 -0.447 -0.000) 4.243 4.774 ( 1.307 0.687 -0.000) 1.476 4.799 ( 6.261 -0.863 -0.000) 6.320 4.811 ( 7.161 -0.165 -0.000) 7.163 5.947 ( -1.847 -0.519 0.000) 1.919 5.979 ( -1.401 1.486 0.000) 2.043 6.103 ( -2.189 -1.018 0.000) 2.414 6.122 ( -1.599 0.174 0.000) 1.609 7.257 ( 5.186 -0.337 -0.000) 5.197 7.261 ( 5.669 -0.169 -0.000) 5.672 7.750 ( -6.228 0.249 0.000) 6.233 7.763 ( -5.561 0.943 0.000) 5.641 12.250 ( 0.507 -0.189 -0.000) 0.541 12.257 ( 0.637 0.249 -0.000) 0.684 12.646 ( -5.338 -1.100 0.000) 5.450 12.662 ( -4.194 -0.336 0.000) 4.208 12.778 ( 0.268 0.350 -0.000) 0.441 12.796 ( 0.030 2.392 0.000) 2.392 13.024 ( 0.889 -4.775 -0.000) 4.857 13.168 ( -0.234 2.922 0.000) 2.932======================= Grid point 59 (31/171) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 93Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.450 ( -0.000 -0.000 -0.267) 0.267 0.450 ( 0.000 0.000 0.267) 0.267 0.610 ( -0.000 -0.000 -2.141) 2.141 0.610 ( 0.000 0.000 2.141) 2.141 0.916 ( -0.000 -0.000 -11.802) 11.802 0.916 ( 0.000 0.000 11.802) 11.802 1.014 ( -0.000 -0.000 -18.155) 18.155 1.014 ( 0.000 0.000 18.155) 18.155 1.383 ( -0.000 -0.000 -2.353) 2.353 1.383 ( 0.000 0.000 2.353) 2.353 1.914 ( -0.000 -0.000 -7.233) 7.233 1.914 ( 0.000 0.000 7.233) 7.233 2.036 ( -0.000 -0.000 -3.003) 3.003 2.036 ( 0.000 0.000 3.003) 3.003 2.074 ( -0.000 -0.000 -2.082) 2.082 2.074 ( 0.000 0.000 2.082) 2.082 2.264 ( -0.000 -0.000 -2.792) 2.792 2.264 ( 0.000 0.000 2.792) 2.792 2.349 ( -0.000 -0.000 -2.066) 2.066 2.349 ( 0.000 0.000 2.066) 2.066 2.581 ( -0.000 -0.000 -0.165) 0.165 2.581 ( 0.000 0.000 0.165) 0.165 2.917 ( -0.000 -0.000 -6.170) 6.170 2.917 ( 0.000 0.000 6.170) 6.170 4.495 ( -0.000 -0.000 -0.019) 0.019 4.495 ( 0.000 0.000 0.019) 0.019 4.685 ( -0.000 -0.000 -2.880) 2.880 4.685 ( 0.000 0.000 2.880) 2.880 4.835 ( -0.000 -0.000 -1.546) 1.546 4.835 ( 0.000 0.000 1.546) 1.546 4.915 ( -0.000 -0.000 -0.806) 0.806 4.915 ( 0.000 0.000 0.806) 0.806 5.954 ( -0.000 -0.000 -0.256) 0.256 5.954 ( 0.000 0.000 0.256) 0.256 6.051 ( -0.000 -0.000 -0.338) 0.338 6.051 ( 0.000 0.000 0.338) 0.338 7.456 ( -0.000 -0.000 -0.105) 0.105 7.456 ( 0.000 0.000 0.105) 0.105 7.537 ( -0.000 -0.000 -0.508) 0.508 7.537 ( 0.000 0.000 0.508) 0.508 12.268 ( -0.000 -0.000 -0.673) 0.673 12.268 ( 0.000 0.000 0.673) 0.673 12.492 ( -0.000 -0.000 -2.110) 2.110 12.492 ( 0.000 0.000 2.110) 2.110 12.778 ( -0.000 -0.000 -3.024) 3.024 12.778 ( 0.000 0.000 3.024) 3.024 13.111 ( -0.000 -0.000 -0.079) 0.079 13.111 ( 0.000 0.000 0.079) 0.079======================= Grid point 108 (32/171) =======================q-point: ( 0.10 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.167 ( 0.000 12.516 0.000) 12.516 0.249 ( 0.000 16.332 0.000) 16.332 0.411 ( 0.000 27.175 0.000) 27.175 0.481 ( 0.000 7.002 0.000) 7.002 0.872 ( 0.000 3.350 0.000) 3.350 0.909 ( 0.000 8.125 0.000) 8.125 1.247 ( -0.000 -2.688 -0.000) 2.688 1.282 ( 0.000 1.342 0.000) 1.342 1.348 ( -0.000 -0.349 -0.000) 0.349 1.502 ( -0.000 -0.115 -0.000) 0.115 1.732 ( -0.000 -0.816 -0.000) 0.816 1.894 ( -0.000 -5.792 -0.000) 5.792 2.048 ( 0.000 5.002 0.000) 5.002 2.117 ( -0.000 -0.770 -0.000) 0.770 2.137 ( -0.000 -0.585 -0.000) 0.585 2.209 ( -0.000 -1.842 -0.000) 1.842 2.280 ( 0.000 0.473 0.000) 0.473 2.376 ( -0.000 -0.458 -0.000) 0.458 2.385 ( -0.000 -0.464 -0.000) 0.464 2.413 ( -0.000 -0.005 -0.000) 0.005 2.528 ( -0.000 -0.321 -0.000) 0.321 2.533 ( -0.000 -0.596 -0.000) 0.596 2.586 ( 0.000 0.394 0.000) 0.394 3.089 ( -0.000 -2.501 -0.000) 2.501 4.486 ( -0.000 -1.694 -0.000) 1.694 4.487 ( -0.000 -1.462 -0.000) 1.462 4.617 ( 0.000 0.370 0.000) 0.370 4.775 ( -0.000 -0.309 -0.000) 0.309 4.793 ( -0.000 -0.043 -0.000) 0.043 4.865 ( -0.000 -1.495 -0.000) 1.495 4.888 ( 0.000 0.588 0.000) 0.588 4.933 ( -0.000 -0.188 -0.000) 0.188 5.879 ( -0.000 -0.129 -0.000) 0.129 5.952 ( -0.000 -0.769 -0.000) 0.769 6.061 ( 0.000 0.501 0.000) 0.501 6.090 ( 0.000 0.164 0.000) 0.164 7.450 ( 0.000 0.017 0.000) 0.017 7.456 ( -0.000 -0.034 -0.000) 0.034 7.530 ( 0.000 1.046 0.000) 1.046 7.551 ( 0.000 0.265 0.000) 0.265 12.254 ( -0.000 -0.047 -0.000) 0.047 12.289 ( -0.000 -0.275 -0.000) 0.275 12.456 ( 0.000 1.031 0.000) 1.031 12.615 ( 0.000 1.696 0.000) 1.696 12.753 ( -0.000 -1.378 -0.000) 1.378 12.868 ( 0.000 2.204 0.000) 2.204 13.099 ( -0.000 -2.353 -0.000) 2.353 13.135 ( -0.000 -0.009 -0.000) 0.009======================= Grid point 109 (33/171) =======================q-point: ( 0.20 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.381 ( -9.233 11.290 3.827) 15.079 0.546 ( -9.774 13.909 1.378) 17.056 0.600 ( -6.182 6.403 2.545) 9.257 0.883 ( -25.349 10.618 0.651) 27.491 0.975 ( -5.522 6.349 -1.115) 8.489 1.198 ( -1.397 -1.276 -4.018) 4.441 1.244 ( -18.117 2.489 2.190) 18.418 1.286 ( -3.244 2.536 -1.325) 4.326 1.343 ( -5.913 0.183 1.025) 6.004 1.532 ( -3.125 0.944 0.011) 3.264 1.709 ( 1.746 -0.649 0.776) 2.019 1.889 ( -1.162 -6.670 0.149) 6.772 2.057 ( 0.506 -1.589 -1.154) 2.028 2.113 ( 2.064 0.798 -0.057) 2.214 2.154 ( 3.735 -3.186 -0.512) 4.936 2.171 ( -6.092 1.905 -1.410) 6.537 2.322 ( -4.033 -0.185 -0.172) 4.041 2.338 ( 2.548 -0.433 -1.772) 3.134 2.405 ( -2.086 -0.633 -3.062) 3.759 2.423 ( -2.319 1.203 -4.276) 5.011 2.519 ( 1.373 -0.171 2.799) 3.122 2.540 ( 0.213 -0.730 5.992) 6.040 2.581 ( 1.302 -0.026 2.419) 2.747 2.841 ( 15.837 6.358 -0.192) 17.067 4.482 ( -0.928 -1.842 -0.020) 2.062 4.491 ( -1.475 -1.512 -0.136) 2.117 4.637 ( -1.782 0.215 0.333) 1.826 4.764 ( 0.981 -0.486 -0.917) 1.428 4.774 ( 1.632 -0.282 0.768) 1.826 4.825 ( 3.068 -1.437 -0.158) 3.392 4.892 ( 2.005 -0.834 -0.474) 2.222 4.907 ( 2.959 -0.629 0.188) 3.031 5.897 ( -1.881 -0.001 0.366) 1.916 5.964 ( -1.327 -0.260 -0.009) 1.352 6.071 ( -0.591 0.537 -0.153) 0.813 6.088 ( -0.906 0.804 0.154) 1.221 7.356 ( 7.323 0.047 0.019) 7.323 7.373 ( 5.298 -0.708 -0.116) 5.346 7.642 ( -7.082 0.548 -0.329) 7.111 7.653 ( -7.202 0.306 0.445) 7.222 12.250 ( 0.288 -0.039 0.049) 0.295 12.277 ( 0.841 -0.342 -0.087) 0.912 12.565 ( -6.852 -3.047 -0.402) 7.509 12.657 ( -2.936 1.770 -0.381) 3.449 12.745 ( -0.661 -1.421 -0.634) 1.690 12.878 ( 0.888 2.959 -0.666) 3.160 12.998 ( 3.998 -3.185 0.702) 5.160 13.209 ( -2.984 -1.051 -0.896) 3.288======================= Grid point 110 (34/171) =======================q-point: ( 0.30 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.624 ( -8.423 8.501 1.331) 12.041 0.754 ( -6.017 6.436 1.610) 8.956 0.780 ( -5.430 6.764 3.864) 9.495 1.036 ( -0.371 0.281 -5.642) 5.661 1.115 ( -0.479 3.820 0.503) 3.883 1.227 ( -4.638 2.366 2.801) 5.912 1.263 ( 0.116 1.250 -1.163) 1.711 1.449 ( -2.858 -1.829 -0.456) 3.424 1.612 ( 0.359 -0.709 1.630) 1.814 1.715 ( -10.026 0.955 1.917) 10.252 1.839 ( -5.527 -0.213 -0.910) 5.605 1.867 ( -19.913 3.603 0.365) 20.240 2.022 ( 2.767 -2.748 -2.484) 4.624 2.051 ( 2.631 -3.439 -0.614) 4.374 2.098 ( -0.639 2.894 0.367) 2.986 2.286 ( 0.647 0.339 -3.480) 3.555 2.332 ( -10.058 1.809 -0.849) 10.254 2.392 ( -3.321 -2.676 -5.432) 6.906 2.423 ( -8.916 -0.594 -0.863) 8.977 2.477 ( -1.851 0.387 0.293) 1.914 2.520 ( -1.181 1.456 2.336) 2.995 2.568 ( 0.553 -0.807 8.401) 8.458 2.586 ( -3.738 0.395 0.369) 3.777 2.666 ( 8.476 2.345 -0.846) 8.835 4.492 ( -1.690 -1.564 0.021) 2.303 4.510 ( -1.756 -0.791 -0.221) 1.939 4.670 ( -1.571 -0.524 0.258) 1.676 4.718 ( 3.270 -0.564 -0.471) 3.352 4.738 ( 5.373 -0.765 0.434) 5.445 4.757 ( 1.992 -0.241 0.268) 2.024 4.807 ( 6.537 -0.225 -0.360) 6.551 4.821 ( 5.766 -1.362 -0.245) 5.929 5.944 ( -3.166 0.519 -0.049) 3.209 5.993 ( -1.810 0.900 0.195) 2.031 6.085 ( -0.715 0.165 0.079) 0.738 6.119 ( -2.032 -0.572 0.079) 2.113 7.240 ( 6.098 0.056 0.142) 6.100 7.276 ( 4.972 -0.992 -0.331) 5.080 7.759 ( -5.967 0.891 -0.118) 6.034 7.770 ( -5.801 0.408 0.255) 5.821 12.246 ( 0.136 -0.006 0.014) 0.136 12.259 ( 1.004 -0.040 0.052) 1.006 12.638 ( -4.137 -1.278 -0.164) 4.333 12.706 ( -1.964 -0.909 -1.246) 2.497 12.763 ( -2.175 0.382 0.246) 2.222 12.876 ( 1.147 2.668 -1.696) 3.363 12.928 ( 2.220 -2.693 2.049) 4.047 13.220 ( -0.092 -0.914 -0.829) 1.237======================= Grid point 111 (35/171) =======================q-point: ( 0.40 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( -2.036 2.627 -5.049) 6.045 0.854 ( -0.627 4.424 2.373) 5.059 0.937 ( -7.046 3.992 2.205) 8.393 1.036 ( -2.879 -0.543 -0.682) 3.008 1.163 ( -0.638 3.161 -2.391) 4.015 1.242 ( -0.174 2.519 -0.698) 2.619 1.337 ( -3.306 -0.736 5.389) 6.365 1.453 ( -0.151 -2.343 1.038) 2.567 1.569 ( 4.245 1.816 1.655) 4.904 1.685 ( 4.507 -1.971 1.712) 5.208 1.886 ( 5.558 -0.992 -2.233) 6.071 1.908 ( 1.091 -0.045 -0.693) 1.293 1.987 ( 1.647 -2.180 -1.705) 3.220 2.089 ( 1.842 1.349 0.338) 2.308 2.168 ( -1.511 5.185 -1.561) 5.622 2.319 ( -0.753 2.345 -6.304) 6.768 2.358 ( -1.941 -5.327 1.004) 5.758 2.462 ( 1.704 1.717 2.136) 3.227 2.521 ( 0.609 -0.937 0.002) 1.118 2.551 ( -1.688 2.064 2.567) 3.701 2.580 ( -3.806 -0.390 1.108) 3.983 2.643 ( -6.717 1.455 -0.255) 6.877 2.814 ( -26.173 0.625 0.219) 26.181 2.821 ( -29.624 -0.839 0.443) 29.640 4.512 ( -1.486 -0.823 0.108) 1.702 4.530 ( -0.025 -0.090 -0.189) 0.211 4.577 ( 12.943 -0.216 0.147) 12.946 4.596 ( 11.029 -0.958 0.164) 11.072 4.659 ( 2.731 -0.543 -0.080) 2.786 4.713 ( 0.494 -0.433 -1.910) 2.020 4.719 ( 3.141 -1.350 -0.057) 3.419 4.763 ( 0.381 0.064 1.598) 1.644 6.004 ( -3.208 0.961 -0.692) 3.420 6.039 ( -2.169 1.632 0.653) 2.792 6.095 ( -0.239 -0.285 0.378) 0.530 6.140 ( -1.248 -1.558 -0.193) 2.005 7.154 ( 4.151 0.091 0.250) 4.159 7.192 ( 3.693 -0.901 -0.393) 3.822 7.854 ( -4.303 0.678 0.028) 4.356 7.856 ( -3.901 0.327 0.002) 3.914 12.243 ( 0.516 0.277 0.011) 0.586 12.248 ( 0.254 0.170 0.134) 0.334 12.689 ( -2.426 -0.461 -0.195) 2.477 12.715 ( -1.501 -1.863 -0.365) 2.420 12.789 ( -0.427 -0.305 -1.691) 1.771 12.876 ( -0.293 -1.017 1.601) 1.919 12.904 ( 0.959 2.986 0.414) 3.163 13.202 ( 0.669 -1.272 -0.681) 1.590======================= Grid point 112 (36/171) =======================q-point: ( 0.50 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.745 ( 0.242 0.189 -6.636) 6.643 0.882 ( -0.048 1.916 0.536) 1.990 1.031 ( -2.846 -1.459 0.840) 3.307 1.142 ( -5.598 0.895 2.095) 6.043 1.156 ( 0.680 2.999 -1.034) 3.244 1.292 ( -3.955 0.030 -0.774) 4.030 1.383 ( 0.484 -0.310 3.027) 3.081 1.440 ( -0.043 -1.455 1.923) 2.412 1.514 ( 5.185 2.893 2.183) 6.325 1.609 ( 3.609 -1.045 0.511) 3.791 1.792 ( 3.278 0.453 -0.536) 3.353 1.864 ( 3.511 1.393 -0.652) 3.833 1.932 ( 2.094 -0.993 -3.349) 4.073 2.049 ( 1.428 -1.590 1.520) 2.622 2.192 ( 0.435 2.067 -2.010) 2.915 2.282 ( 2.032 -0.901 -2.759) 3.542 2.358 ( -1.237 -0.239 -1.762) 2.166 2.431 ( 2.329 0.400 1.227) 2.662 2.516 ( -1.221 -1.042 -0.265) 1.627 2.565 ( 1.364 0.882 3.414) 3.781 2.689 ( -4.680 0.990 0.640) 4.826 2.734 ( -3.286 0.334 -0.377) 3.324 3.331 ( -29.767 0.392 -0.015) 29.770 3.348 ( -29.409 -0.064 0.044) 29.409 4.296 ( 18.739 -0.304 -0.169) 18.742 4.318 ( 17.982 -0.327 0.392) 17.990 4.530 ( -0.680 -0.015 0.101) 0.687 4.550 ( 0.021 0.518 -0.503) 0.722 4.617 ( 1.204 -0.698 -0.006) 1.392 4.666 ( 1.435 -0.908 -0.093) 1.701 4.711 ( -0.581 -0.525 -1.232) 1.460 4.772 ( -0.220 0.132 1.322) 1.347 6.055 ( -2.020 1.007 -0.862) 2.416 6.081 ( -0.651 0.443 -0.268) 0.832 6.097 ( -0.221 0.288 1.272) 1.322 6.141 ( -0.802 -1.353 -0.047) 1.573 7.102 ( 2.070 0.090 0.048) 2.073 7.138 ( 1.784 -0.541 -0.084) 1.866 7.905 ( -1.815 0.181 -0.165) 1.831 7.916 ( -2.240 0.270 0.143) 2.260 12.237 ( 0.538 0.405 0.061) 0.676 12.247 ( 0.049 0.155 -0.020) 0.164 12.704 ( -0.893 -1.288 -0.634) 1.690 12.737 ( -1.689 -1.089 -0.430) 2.055 12.778 ( 0.176 -0.088 -0.628) 0.658 12.869 ( 0.688 -1.806 2.856) 3.448 12.935 ( -0.441 4.716 -1.251) 4.899 13.180 ( 0.294 -1.563 -0.451) 1.653======================= Grid point 113 (37/171) =======================q-point: (-0.40 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.701 ( -0.176 -2.606 -6.543) 7.045 0.913 ( 0.138 3.853 2.290) 4.485 1.053 ( -1.204 -2.843 2.119) 3.745 1.105 ( 4.567 -0.965 3.016) 5.558 1.270 ( -2.629 2.035 -1.252) 3.552 1.320 ( 4.215 0.744 -0.829) 4.360 1.367 ( -5.894 -1.770 -1.940) 6.453 1.420 ( 4.703 1.069 -0.684) 4.871 1.473 ( -0.001 0.105 -1.141) 1.145 1.586 ( -1.297 0.236 1.796) 2.228 1.777 ( -0.668 -0.253 1.586) 1.740 1.810 ( 2.403 1.117 -1.084) 2.863 1.911 ( -0.964 0.871 0.221) 1.318 2.035 ( -0.527 -2.169 1.327) 2.597 2.176 ( 1.155 -0.336 -2.365) 2.653 2.245 ( -0.242 -1.173 -1.884) 2.232 2.384 ( -1.823 1.939 -1.749) 3.184 2.412 ( 0.861 0.072 1.250) 1.520 2.528 ( -1.082 -0.517 -0.631) 1.355 2.558 ( 1.427 0.491 2.269) 2.725 2.726 ( 1.075 -0.477 -0.377) 1.235 2.755 ( 0.552 -0.493 0.008) 0.741 3.693 ( 0.807 0.020 -0.009) 0.808 3.695 ( -0.028 0.047 0.057) 0.079 4.031 ( -0.844 -0.065 -0.522) 0.994 4.076 ( -0.405 0.251 0.601) 0.767 4.542 ( -0.484 0.706 0.070) 0.859 4.552 ( 0.176 1.291 -0.187) 1.316 4.604 ( -0.238 -0.997 -0.139) 1.034 4.651 ( -0.262 -0.908 0.486) 1.062 4.716 ( -0.755 -0.051 -0.970) 1.230 4.777 ( 0.232 0.088 0.512) 0.569 6.058 ( 1.204 -0.612 0.040) 1.351 6.085 ( 1.465 -0.792 0.331) 1.698 6.098 ( -1.138 0.369 -1.333) 1.791 6.165 ( -1.137 1.027 1.070) 1.869 7.084 ( -0.029 0.014 -0.370) 0.371 7.124 ( -0.344 -0.056 0.437) 0.559 7.920 ( 0.106 0.023 -0.112) 0.156 7.934 ( 0.302 -0.059 0.130) 0.334 12.230 ( 0.309 0.015 -0.312) 0.440 12.248 ( 0.098 0.204 0.160) 0.277 12.707 ( -0.556 -0.860 -0.535) 1.155 12.741 ( -1.093 -1.766 -1.752) 2.717 12.784 ( 0.298 1.230 1.571) 2.018 12.855 ( 0.711 -1.783 2.303) 2.998 12.966 ( 0.105 4.794 -1.875) 5.148 13.168 ( -0.506 -1.755 -0.004) 1.827======================= Grid point 114 (38/171) =======================q-point: (-0.30 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.682 ( -2.436 -2.277 -3.069) 4.532 0.902 ( 6.834 2.273 2.982) 7.795 0.990 ( 6.892 -2.742 0.381) 7.427 1.084 ( -3.410 -1.942 0.796) 4.004 1.168 ( 8.681 1.501 -1.140) 8.884 1.258 ( 6.654 -0.854 1.994) 6.999 1.436 ( 0.178 -0.765 -5.521) 5.576 1.438 ( -4.693 1.178 -2.164) 5.300 1.467 ( -4.074 -0.004 -1.755) 4.436 1.637 ( -4.224 0.568 -1.245) 4.440 1.818 ( -3.894 1.553 2.563) 4.914 1.846 ( -4.563 -0.290 3.092) 5.519 1.962 ( -2.535 1.643 2.167) 3.717 2.042 ( -1.530 -2.501 1.350) 3.228 2.127 ( 2.492 -1.138 -3.495) 4.440 2.251 ( -1.358 -1.136 0.340) 1.803 2.407 ( 0.064 -0.658 0.319) 0.734 2.430 ( -2.288 2.254 -1.547) 3.565 2.540 ( -0.703 0.316 -0.428) 0.881 2.546 ( 0.697 -0.055 0.370) 0.791 2.649 ( 6.072 -1.479 -1.231) 6.370 2.706 ( 4.489 -1.017 0.295) 4.612 3.319 ( 30.108 -0.259 -0.410) 30.112 3.360 ( 28.465 0.480 0.624) 28.476 4.303 ( -18.886 0.137 -0.362) 18.890 4.332 ( -18.310 0.440 0.209) 18.317 4.554 ( 0.181 0.683 0.082) 0.712 4.555 ( 0.736 1.062 -0.062) 1.293 4.614 ( -2.194 -0.678 -0.081) 2.298 4.672 ( -2.541 -0.371 1.124) 2.803 4.727 ( -0.800 0.396 -0.697) 1.133 4.768 ( 0.848 -0.093 -0.372) 0.931 6.026 ( 1.987 -0.577 0.198) 2.079 6.042 ( 2.307 -1.235 -0.253) 2.630 6.109 ( -0.175 0.462 -0.978) 1.096 6.186 ( 0.281 1.041 0.982) 1.458 7.100 ( -2.137 -0.015 -0.551) 2.207 7.151 ( -2.402 0.276 0.702) 2.518 7.901 ( 2.110 -0.058 0.058) 2.112 7.906 ( 2.774 -0.292 -0.007) 2.789 12.228 ( -0.321 -0.168 -0.381) 0.526 12.248 ( 0.123 0.104 0.149) 0.219 12.699 ( 0.375 -0.730 -0.882) 1.205 12.749 ( -1.457 -0.679 -0.755) 1.776 12.789 ( 0.902 1.087 1.609) 2.141 12.834 ( 1.188 -1.872 1.610) 2.740 12.990 ( 0.058 4.902 -1.884) 5.252 13.169 ( -0.993 -2.086 0.542) 2.373======================= Grid point 115 (39/171) =======================q-point: (-0.20 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( 3.198 0.034 -0.288) 3.211 0.727 ( 9.128 -2.838 -2.599) 9.906 0.861 ( 6.917 -0.777 -3.165) 7.646 1.037 ( 4.853 -0.349 -0.233) 4.871 1.105 ( 4.180 -0.576 4.029) 5.834 1.183 ( 0.430 -0.704 4.162) 4.243 1.357 ( 3.835 0.307 -7.072) 8.050 1.494 ( -0.192 0.446 -0.577) 0.754 1.546 ( -6.738 -0.048 -1.948) 7.014 1.751 ( -7.934 1.116 -0.940) 8.067 1.917 ( 0.444 2.035 3.178) 3.799 1.941 ( -1.984 -0.190 3.324) 3.876 1.998 ( -0.506 -1.626 1.631) 2.358 2.045 ( -1.186 -1.070 -1.529) 2.212 2.077 ( -0.606 0.296 -0.981) 1.190 2.257 ( 1.760 -1.105 4.614) 5.060 2.396 ( 0.216 -0.695 -1.946) 2.077 2.467 ( 2.137 0.006 -0.608) 2.222 2.495 ( 3.851 -0.042 -2.173) 4.422 2.545 ( 0.878 0.818 -0.008) 1.200 2.566 ( -0.818 -0.764 -1.439) 1.823 2.601 ( 6.544 -0.980 0.372) 6.627 2.791 ( 27.466 -0.369 -0.788) 27.480 2.870 ( 27.006 0.976 0.305) 27.025 4.539 ( 1.111 0.295 -0.070) 1.151 4.542 ( 1.278 0.552 -0.030) 1.393 4.580 ( -12.964 -0.006 -0.281) 12.967 4.613 ( -13.064 0.101 -0.164) 13.065 4.669 ( -4.083 0.131 0.714) 4.147 4.724 ( 0.214 0.164 0.925) 0.963 4.745 ( -1.916 0.435 -0.587) 2.050 4.757 ( -2.355 -0.270 -0.550) 2.433 5.984 ( 2.725 -0.100 -0.067) 2.727 5.994 ( 1.917 -0.911 -0.213) 2.133 6.102 ( 0.742 0.127 -0.766) 1.074 6.175 ( 2.003 0.503 0.554) 2.138 7.153 ( -4.205 -0.005 -0.450) 4.229 7.213 ( -4.109 0.317 0.710) 4.182 7.836 ( 4.820 -0.278 -0.105) 4.829 7.849 ( 4.046 -0.095 0.136) 4.049 12.238 ( -1.104 -0.065 -0.146) 1.116 12.247 ( 0.054 0.025 0.014) 0.061 12.680 ( 0.983 -0.302 -0.528) 1.156 12.763 ( 0.498 0.973 0.250) 1.122 12.778 ( 1.517 -0.517 0.195) 1.614 12.807 ( 0.359 -1.215 1.543) 1.997 13.026 ( -1.011 4.279 -1.081) 4.528 13.172 ( -0.800 -2.378 1.044) 2.718======================= Grid point 116 (40/171) =======================q-point: (-0.10 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.469 ( 12.725 -0.000 -7.001) 14.524 0.591 ( 12.271 0.000 -1.624) 12.378 0.699 ( 9.607 -0.000 -3.622) 10.267 1.001 ( 8.353 0.000 5.368) 9.930 1.071 ( -7.512 -0.000 1.277) 7.620 1.203 ( 5.809 0.000 0.213) 5.813 1.243 ( 4.114 -0.000 -2.152) 4.643 1.490 ( 0.797 0.000 0.610) 1.003 1.639 ( 4.041 0.000 -0.190) 4.046 1.663 ( 12.088 -0.000 -2.796) 12.407 1.765 ( 29.186 0.000 0.827) 29.197 1.882 ( -6.312 -0.000 -0.342) 6.321 2.060 ( -2.745 -0.000 -0.570) 2.804 2.083 ( -3.447 0.000 2.886) 4.496 2.120 ( -4.434 -0.000 -1.177) 4.587 2.250 ( -0.900 0.000 10.236) 10.276 2.310 ( 9.999 0.000 0.614) 10.018 2.398 ( -2.510 -0.000 -3.796) 4.550 2.458 ( 7.923 0.000 4.753) 9.239 2.475 ( 5.822 0.000 2.164) 6.212 2.508 ( 4.617 -0.000 -1.060) 4.737 2.545 ( -1.032 -0.000 -0.476) 1.136 2.589 ( 2.168 -0.000 -7.810) 8.105 2.598 ( -1.372 -0.000 -3.996) 4.225 4.518 ( 1.160 0.000 -0.026) 1.160 4.521 ( 1.247 0.000 0.029) 1.248 4.685 ( 2.830 0.000 -0.418) 2.861 4.727 ( -3.420 -0.000 0.284) 3.432 4.749 ( -7.123 -0.000 -0.049) 7.123 4.760 ( -1.190 -0.000 -0.514) 1.297 4.813 ( -8.191 -0.000 0.529) 8.208 4.845 ( -5.281 -0.000 0.457) 5.301 5.936 ( 2.526 -0.000 -0.573) 2.590 5.963 ( 1.147 0.000 0.006) 1.147 6.083 ( 1.079 -0.000 -0.538) 1.206 6.131 ( 3.356 0.000 0.115) 3.358 7.240 ( -6.101 -0.000 -0.216) 6.104 7.298 ( -5.135 -0.000 0.635) 5.174 7.742 ( 5.812 0.000 -0.089) 5.813 7.764 ( 5.977 0.000 0.142) 5.979 12.247 ( -0.133 -0.000 -0.064) 0.147 12.260 ( -1.409 -0.000 0.090) 1.411 12.658 ( 1.565 0.000 0.894) 1.802 12.713 ( 3.656 -0.000 -1.403) 3.916 12.766 ( 1.018 0.000 1.822) 2.087 12.822 ( -1.216 0.000 0.962) 1.551 13.070 ( -2.014 -0.000 -0.317) 2.038 13.173 ( -0.166 0.000 1.522) 1.531======================= Grid point 117 (41/171) =======================q-point: ( 0.00 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.437 ( 14.490 0.000 -0.000) 14.490 0.584 ( 12.742 0.000 -0.000) 12.742 0.683 ( 9.940 0.000 -0.000) 9.940 1.027 ( 8.204 0.000 -0.000) 8.204 1.076 ( -7.943 -0.000 0.000) 7.943 1.195 ( 11.167 0.000 -0.000) 11.167 1.240 ( -1.704 -0.000 0.000) 1.704 1.493 ( 0.410 0.000 -0.000) 0.410 1.641 ( -5.369 -0.000 0.000) 5.369 1.647 ( 21.819 0.000 -0.000) 21.819 1.769 ( 30.121 0.000 -0.000) 30.121 1.880 ( -6.423 -0.000 0.000) 6.423 2.057 ( -3.087 -0.000 0.000) 3.087 2.105 ( -1.624 -0.000 0.000) 1.624 2.106 ( -6.224 -0.000 0.000) 6.224 2.310 ( -0.129 -0.000 0.000) 0.129 2.313 ( 9.274 0.000 -0.000) 9.274 2.367 ( -5.303 -0.000 0.000) 5.303 2.484 ( 5.813 0.000 -0.000) 5.813 2.504 ( 6.273 0.000 -0.000) 6.273 2.505 ( -1.797 -0.000 0.000) 1.797 2.517 ( 12.928 0.000 -0.000) 12.928 2.555 ( -0.758 -0.000 0.000) 0.758 2.579 ( -1.424 -0.000 0.000) 1.424 4.518 ( 1.146 0.000 -0.000) 1.146 4.521 ( 1.237 0.000 -0.000) 1.237 4.683 ( 2.979 0.000 -0.000) 2.979 4.728 ( -3.643 -0.000 0.000) 3.643 4.749 ( -7.262 -0.000 0.000) 7.262 4.758 ( -0.971 -0.000 0.000) 0.971 4.815 ( -8.373 -0.000 0.000) 8.373 4.847 ( -5.246 -0.000 0.000) 5.246 5.933 ( 2.681 0.000 -0.000) 2.681 5.963 ( 1.141 0.000 -0.000) 1.141 6.081 ( 1.081 0.000 -0.000) 1.081 6.132 ( 3.423 0.000 -0.000) 3.423 7.239 ( -6.133 -0.000 0.000) 6.133 7.300 ( -5.191 -0.000 0.000) 5.191 7.742 ( 5.778 0.000 -0.000) 5.778 7.764 ( 5.976 0.000 -0.000) 5.976 12.247 ( -0.119 -0.000 0.000) 0.119 12.261 ( -1.458 -0.000 0.000) 1.458 12.663 ( 0.743 0.000 -0.000) 0.743 12.707 ( 4.484 0.000 -0.000) 4.484 12.773 ( 0.305 0.000 -0.000) 0.305 12.826 ( -1.164 -0.000 0.000) 1.164 13.069 ( -2.116 -0.000 0.000) 2.116 13.180 ( -0.476 -0.000 0.000) 0.476======================= Grid point 119 (42/171) =======================q-point: ( 0.20 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.232 ( 0.000 9.180 12.210) 15.276 0.273 ( -0.000 14.855 5.319) 15.779 0.439 ( -0.000 22.174 6.535) 23.117 0.513 ( 0.000 8.841 7.096) 11.336 0.866 ( -0.000 3.577 -1.407) 3.843 0.893 ( -0.000 7.935 -3.772) 8.786 1.255 ( 0.000 -1.814 1.069) 2.106 1.261 ( -0.000 0.363 -4.125) 4.141 1.344 ( -0.000 0.225 -1.021) 1.046 1.481 ( -0.000 2.432 -3.700) 4.427 1.752 ( 0.000 -2.705 3.573) 4.481 1.901 ( 0.000 -5.728 1.405) 5.897 2.051 ( -0.000 4.903 0.796) 4.967 2.094 ( -0.000 -1.675 -4.652) 4.944 2.131 ( -0.000 0.275 -0.536) 0.603 2.205 ( -0.000 -2.280 -1.186) 2.570 2.284 ( 0.000 0.404 0.852) 0.943 2.347 ( -0.000 1.579 -11.058) 11.170 2.371 ( -0.000 0.068 -1.222) 1.224 2.383 ( -0.000 -0.846 -0.382) 0.929 2.558 ( 0.000 -0.697 5.099) 5.146 2.563 ( 0.000 -1.728 2.305) 2.881 2.617 ( 0.000 0.573 8.089) 8.109 3.063 ( -0.000 -1.158 -4.927) 5.061 4.485 ( 0.000 -1.683 -0.067) 1.685 4.486 ( 0.000 -1.456 -0.069) 1.458 4.620 ( 0.000 0.390 0.754) 0.849 4.769 ( -0.000 -0.252 -1.181) 1.207 4.792 ( 0.000 -0.130 0.028) 0.133 4.863 ( 0.000 -1.482 -0.462) 1.552 4.890 ( 0.000 0.551 0.522) 0.759 4.933 ( 0.000 -0.141 0.063) 0.154 5.892 ( 0.000 -1.429 2.352) 2.752 5.951 ( 0.000 -0.794 -0.065) 0.797 6.061 ( -0.000 0.510 -0.031) 0.511 6.081 ( -0.000 1.093 -1.554) 1.900 7.451 ( 0.000 0.009 0.074) 0.075 7.456 ( 0.000 -0.039 0.014) 0.041 7.531 ( -0.000 1.049 0.201) 1.068 7.554 ( 0.000 0.332 0.384) 0.508 12.254 ( 0.000 -0.042 0.111) 0.119 12.287 ( -0.000 -0.260 -0.306) 0.402 12.458 ( 0.000 1.050 0.420) 1.131 12.609 ( -0.000 1.792 -1.674) 2.453 12.734 ( -0.000 1.320 -2.872) 3.161 12.864 ( -0.000 2.132 -0.875) 2.304 13.099 ( 0.000 -2.267 0.038) 2.267 13.127 ( -0.000 0.585 -1.375) 1.494======================= Grid point 120 (43/171) =======================q-point: ( 0.30 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.436 ( -7.600 9.055 8.341) 14.468 0.573 ( -9.242 12.086 5.179) 16.072 0.639 ( -6.298 6.345 6.267) 10.918 0.889 ( -16.203 10.064 -0.087) 19.074 0.963 ( -13.247 6.487 -0.861) 14.776 1.156 ( -7.423 0.725 -5.376) 9.194 1.237 ( -2.170 1.047 -4.566) 5.163 1.285 ( -13.012 2.969 1.475) 13.427 1.357 ( -6.509 0.217 2.114) 6.847 1.532 ( -4.528 1.649 -0.244) 4.825 1.722 ( 2.189 -1.037 2.279) 3.325 1.891 ( -0.549 -6.025 0.210) 6.053 2.039 ( 0.129 -2.902 -2.893) 4.100 2.112 ( 2.304 0.566 -0.217) 2.383 2.135 ( 0.487 -1.622 -3.875) 4.229 2.162 ( -3.547 1.442 -0.752) 3.903 2.297 ( 2.603 3.123 -6.825) 7.944 2.322 ( -3.350 0.015 0.210) 3.356 2.372 ( -1.047 -2.240 -2.055) 3.215 2.405 ( -2.952 1.275 -1.752) 3.661 2.550 ( 0.660 -0.659 3.407) 3.533 2.573 ( 0.525 -0.450 2.829) 2.912 2.636 ( 1.711 -0.783 8.295) 8.506 2.839 ( 14.767 4.099 -0.342) 15.329 4.481 ( -0.942 -1.811 -0.065) 2.043 4.489 ( -1.478 -1.530 -0.312) 2.150 4.643 ( -1.680 0.167 0.972) 1.948 4.755 ( 1.054 -0.605 -1.091) 1.633 4.780 ( 1.121 -0.264 0.571) 1.286 4.822 ( 2.969 -1.430 -0.453) 3.327 4.887 ( 2.276 -0.514 -0.648) 2.422 4.908 ( 3.030 -0.515 0.072) 3.074 5.902 ( -1.512 -0.345 0.828) 1.758 5.963 ( -1.390 -0.256 -0.024) 1.414 6.069 ( -0.750 0.450 -0.278) 0.918 6.090 ( -1.104 0.726 0.283) 1.352 7.357 ( 7.262 0.023 0.050) 7.262 7.371 ( 5.524 -0.510 -0.255) 5.553 7.639 ( -7.138 0.595 -0.279) 7.168 7.658 ( -7.054 0.480 0.533) 7.091 12.251 ( 0.308 -0.045 0.147) 0.344 12.276 ( 0.772 -0.284 -0.244) 0.858 12.559 ( -6.631 -2.251 -0.867) 7.056 12.648 ( -3.295 1.169 -1.954) 4.006 12.740 ( -0.889 -0.021 -0.121) 0.898 12.868 ( 0.967 2.618 -1.564) 3.199 13.007 ( 3.778 -2.950 1.394) 4.991 13.196 ( -3.115 -0.403 -1.933) 3.688======================= Grid point 121 (44/171) =======================q-point: ( 0.40 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( -5.733 5.941 1.712) 8.432 0.782 ( -5.008 6.791 4.575) 9.598 0.819 ( -5.311 5.790 5.250) 9.450 0.985 ( -2.129 1.487 -5.782) 6.338 1.110 ( 0.919 3.995 -1.432) 4.343 1.224 ( 0.353 3.064 -3.391) 4.584 1.279 ( -7.360 0.259 4.489) 8.625 1.443 ( -3.393 -1.382 -0.762) 3.742 1.633 ( 0.891 -0.904 3.232) 3.472 1.737 ( -8.745 1.084 3.078) 9.334 1.829 ( -9.888 0.562 -1.139) 9.969 1.868 ( -15.377 3.242 -0.096) 15.715 2.004 ( 2.230 -2.466 -1.645) 3.709 2.029 ( 1.509 -3.301 -4.453) 5.745 2.103 ( -0.239 2.258 0.440) 2.312 2.240 ( 1.228 3.444 -6.497) 7.455 2.330 ( -10.800 1.298 0.188) 10.879 2.362 ( -5.251 -4.454 -1.878) 7.137 2.418 ( -7.021 0.253 -0.272) 7.031 2.474 ( -4.354 1.072 -0.910) 4.575 2.545 ( 1.301 -0.486 3.115) 3.411 2.589 ( -3.079 0.511 0.684) 3.195 2.639 ( 0.671 -0.980 7.544) 7.637 2.656 ( 8.353 1.932 -1.352) 8.680 4.492 ( -1.712 -1.507 0.049) 2.281 4.507 ( -1.803 -0.878 -0.373) 2.040 4.673 ( -1.234 -0.678 0.437) 1.474 4.713 ( 2.731 -0.614 -0.470) 2.838 4.741 ( 5.721 -0.598 0.356) 5.764 4.761 ( 1.911 -0.356 0.625) 2.042 4.803 ( 5.961 -0.171 -0.642) 5.998 4.818 ( 6.172 -1.217 -0.478) 6.309 5.943 ( -2.931 0.306 -0.064) 2.947 5.995 ( -1.956 0.973 0.280) 2.202 6.086 ( -1.014 -0.144 0.123) 1.031 6.120 ( -1.774 -0.422 0.131) 1.828 7.242 ( 6.007 0.003 0.279) 6.013 7.272 ( 5.061 -0.854 -0.571) 5.164 7.758 ( -6.107 0.792 -0.086) 6.159 7.773 ( -5.561 0.554 0.294) 5.597 12.247 ( 0.198 -0.055 0.039) 0.209 12.260 ( 0.894 0.061 0.074) 0.899 12.636 ( -4.364 -1.066 -0.246) 4.499 12.691 ( -2.410 -0.993 -1.990) 3.279 12.766 ( -1.609 0.157 0.415) 1.669 12.862 ( 0.817 2.585 -1.501) 3.098 12.946 ( 2.207 -2.010 2.090) 3.644 13.211 ( -0.312 -0.711 -1.321) 1.532======================= Grid point 122 (45/171) =======================q-point: ( 0.50 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.708 ( -1.103 1.010 -5.016) 5.235 0.868 ( -0.004 3.438 1.020) 3.586 0.961 ( -4.825 3.123 3.402) 6.679 1.032 ( -5.059 0.817 -0.132) 5.126 1.142 ( -0.529 3.279 -2.506) 4.161 1.239 ( -0.976 3.667 -0.183) 3.799 1.381 ( -3.201 -1.474 4.772) 5.932 1.461 ( -0.633 -1.867 0.793) 2.125 1.591 ( 4.293 1.239 3.575) 5.723 1.698 ( 4.751 -1.593 1.072) 5.124 1.871 ( 5.383 -0.626 -1.263) 5.564 1.902 ( 1.112 0.066 -0.547) 1.241 1.961 ( 2.442 -0.908 -3.892) 4.683 2.086 ( 1.386 0.844 -1.408) 2.149 2.159 ( -1.251 3.853 -0.186) 4.055 2.271 ( -2.587 2.396 -4.884) 6.024 2.367 ( -0.280 -5.006 0.929) 5.100 2.474 ( 0.983 1.202 1.021) 1.858 2.519 ( 0.837 -1.864 -0.368) 2.076 2.568 ( -3.115 2.220 1.261) 4.028 2.597 ( -4.085 0.291 2.393) 4.743 2.642 ( -6.471 1.597 -0.118) 6.666 2.817 ( -25.788 0.524 0.435) 25.797 2.825 ( -28.178 -0.657 0.462) 28.189 4.514 ( -1.527 -0.776 0.186) 1.724 4.528 ( -0.443 -0.197 -0.297) 0.568 4.578 ( 13.022 -0.311 0.233) 13.028 4.597 ( 11.758 -0.774 0.120) 11.785 4.658 ( 2.860 -0.561 0.079) 2.916 4.698 ( 0.865 -0.727 -1.719) 2.057 4.718 ( 2.484 -1.242 -0.076) 2.778 4.775 ( 0.101 0.159 1.205) 1.219 5.999 ( -3.051 0.770 -0.599) 3.203 6.044 ( -2.189 1.718 0.493) 2.826 6.099 ( -0.566 -0.540 0.594) 0.982 6.137 ( -1.018 -1.310 -0.310) 1.688 7.156 ( 4.162 -0.028 0.388) 4.181 7.188 ( 3.631 -0.739 -0.563) 3.748 7.854 ( -4.266 0.646 0.045) 4.315 7.856 ( -3.874 0.361 -0.010) 3.891 12.244 ( 0.293 0.220 0.046) 0.369 12.249 ( 0.501 0.224 0.138) 0.566 12.688 ( -2.152 -0.846 -0.159) 2.318 12.710 ( -2.212 -1.693 -0.813) 2.902 12.777 ( -0.251 -0.635 -1.016) 1.224 12.883 ( -0.912 3.012 -0.046) 3.147 12.914 ( 1.645 -0.385 1.802) 2.470 13.195 ( 0.486 -1.257 -0.896) 1.619======================= Grid point 123 (46/171) =======================q-point: ( 0.60 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.688 ( -0.389 -2.301 -6.357) 6.771 0.886 ( -0.628 1.720 0.297) 1.855 1.046 ( -2.606 0.429 2.439) 3.595 1.144 ( -1.068 2.615 -1.783) 3.340 1.157 ( -4.936 0.878 1.200) 5.155 1.291 ( -2.487 0.490 0.470) 2.578 1.405 ( 2.246 -0.487 2.220) 3.195 1.454 ( -0.254 -1.333 1.313) 1.888 1.532 ( 6.373 1.648 1.035) 6.664 1.610 ( 3.209 -1.027 0.434) 3.397 1.806 ( 2.572 0.980 3.508) 4.459 1.854 ( 4.142 1.620 -1.455) 4.679 1.902 ( 1.156 -0.389 -3.756) 3.950 2.050 ( 0.862 -1.054 -1.333) 1.905 2.177 ( 0.036 0.543 -1.334) 1.441 2.265 ( 1.876 -1.575 -0.971) 2.635 2.338 ( -1.400 -0.546 -2.606) 3.008 2.446 ( 2.214 0.055 2.032) 3.005 2.511 ( -0.834 -0.474 -0.655) 1.161 2.591 ( 1.676 1.399 2.487) 3.309 2.696 ( -4.299 0.682 0.962) 4.458 2.730 ( -3.341 0.309 -0.580) 3.405 3.331 ( -29.831 0.216 0.005) 29.832 3.349 ( -29.282 0.182 0.024) 29.283 4.295 ( 18.833 -0.466 -0.105) 18.839 4.321 ( 18.009 -0.170 0.322) 18.012 4.532 ( -0.621 0.033 0.169) 0.645 4.546 ( -0.139 0.468 -0.550) 0.735 4.617 ( 1.190 -0.820 0.106) 1.449 4.664 ( 1.096 -0.551 -0.448) 1.306 4.703 ( -0.608 -0.978 -0.649) 1.322 4.782 ( 0.064 0.256 0.967) 1.003 6.049 ( -2.217 0.896 -0.585) 2.462 6.079 ( -0.338 0.187 -0.286) 0.481 6.108 ( 0.044 -0.001 1.116) 1.117 6.140 ( -1.176 -0.676 -0.151) 1.365 7.102 ( 2.188 -0.127 0.049) 2.192 7.137 ( 1.623 -0.286 -0.085) 1.650 7.904 ( -1.808 0.147 -0.137) 1.819 7.917 ( -2.248 0.308 0.115) 2.272 12.238 ( 0.649 0.261 0.061) 0.702 12.247 ( 0.008 0.235 -0.018) 0.236 12.700 ( -0.978 -1.441 -0.244) 1.758 12.727 ( -1.411 -1.859 -1.491) 2.769 12.781 ( -0.443 0.642 0.859) 1.160 12.891 ( 0.863 -1.710 2.222) 2.933 12.923 ( -0.173 4.723 -1.387) 4.926 13.176 ( 0.071 -1.587 -0.498) 1.665======================= Grid point 124 (47/171) =======================q-point: (-0.30 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.651 ( -1.772 -4.305 -4.928) 6.779 0.929 ( -1.139 3.189 1.469) 3.691 1.068 ( -0.269 -2.279 1.225) 2.601 1.140 ( 4.412 1.063 4.895) 6.675 1.256 ( -1.181 1.851 -2.100) 3.038 1.314 ( 2.853 0.241 -0.435) 2.896 1.352 ( -4.221 -2.018 -1.548) 4.928 1.411 ( 4.682 -0.708 -1.606) 5.000 1.455 ( 1.134 0.386 -2.182) 2.489 1.599 ( -0.053 0.894 1.180) 1.482 1.791 ( 1.211 0.629 1.364) 1.930 1.819 ( -0.202 0.739 2.830) 2.932 1.908 ( -2.675 0.599 -0.825) 2.863 2.036 ( -0.771 -1.301 -1.095) 1.867 2.157 ( 1.185 -1.440 -1.927) 2.681 2.235 ( -1.075 -2.305 -0.432) 2.580 2.366 ( -1.976 1.801 -1.966) 3.318 2.428 ( 0.990 -0.182 1.993) 2.233 2.520 ( -0.712 0.143 -1.146) 1.357 2.575 ( 2.008 0.894 1.642) 2.743 2.724 ( 1.556 -0.676 -0.248) 1.714 2.755 ( 0.264 -0.496 -0.033) 0.563 3.693 ( 0.949 0.019 -0.003) 0.949 3.696 ( -0.233 0.071 0.042) 0.247 4.028 ( -0.904 -0.249 -0.330) 0.994 4.080 ( -0.233 0.475 0.387) 0.656 4.542 ( -0.521 0.672 0.104) 0.857 4.551 ( 0.030 1.234 -0.156) 1.244 4.603 ( -0.167 -1.058 -0.052) 1.072 4.654 ( -0.478 -0.620 0.238) 0.818 4.709 ( -0.971 -0.486 -0.633) 1.257 4.781 ( 0.653 0.279 0.323) 0.780 6.059 ( 1.076 -0.765 0.184) 1.333 6.085 ( 1.103 -1.091 -0.552) 1.647 6.090 ( -0.552 0.613 -0.235) 0.858 6.172 ( -1.196 1.286 0.689) 1.887 7.081 ( 0.058 -0.139 -0.256) 0.297 7.127 ( -0.460 0.128 0.311) 0.570 7.919 ( 0.031 -0.028 -0.080) 0.090 7.935 ( 0.355 0.001 0.094) 0.367 12.228 ( 0.384 -0.105 -0.222) 0.456 12.249 ( 0.070 0.254 0.099) 0.282 12.703 ( -0.457 -1.150 -0.252) 1.263 12.728 ( -1.318 -1.614 -1.276) 2.443 12.797 ( 0.175 1.208 1.425) 1.876 12.872 ( 0.808 -1.886 1.677) 2.650 12.950 ( 0.286 4.876 -1.770) 5.196 13.168 ( -0.743 -1.711 -0.040) 1.866======================= Grid point 125 (48/171) =======================q-point: (-0.20 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( -4.232 -3.101 -1.808) 5.549 0.921 ( 7.066 2.281 1.350) 7.547 0.997 ( 10.651 -3.180 0.972) 11.158 1.088 ( -4.070 -1.876 0.287) 4.491 1.160 ( 8.098 1.787 -0.726) 8.324 1.280 ( 4.266 -0.523 3.099) 5.299 1.386 ( 3.235 -0.090 -5.710) 6.563 1.424 ( -5.907 -0.065 -1.081) 6.006 1.456 ( -4.319 0.241 -0.911) 4.420 1.625 ( -3.919 0.611 -1.291) 4.171 1.844 ( -4.792 1.764 3.078) 5.962 1.871 ( -3.718 0.803 2.380) 4.487 1.974 ( -4.047 0.144 0.888) 4.146 2.045 ( -1.667 -1.043 -0.669) 2.077 2.103 ( 2.784 -2.326 -1.852) 4.073 2.254 ( -2.638 -1.982 0.306) 3.314 2.404 ( -1.022 0.697 -0.786) 1.465 2.425 ( -0.508 0.596 0.304) 0.840 2.530 ( -0.778 0.502 -1.190) 1.508 2.555 ( 1.493 0.587 0.848) 1.814 2.641 ( 6.422 -1.609 -0.710) 6.658 2.708 ( 4.404 -1.028 0.118) 4.523 3.317 ( 30.216 -0.309 -0.198) 30.218 3.365 ( 28.323 0.571 0.330) 28.331 4.301 ( -18.897 0.084 -0.188) 18.898 4.333 ( -18.175 0.526 0.083) 18.183 4.555 ( 0.555 0.976 -0.009) 1.123 4.555 ( 0.336 0.567 0.026) 0.660 4.614 ( -2.357 -0.605 0.078) 2.435 4.679 ( -2.771 -0.129 0.576) 2.833 4.722 ( -1.076 -0.078 -0.387) 1.147 4.765 ( 1.380 0.174 -0.278) 1.418 6.028 ( 1.835 -0.850 0.230) 2.035 6.039 ( 2.506 -1.028 -0.291) 2.724 6.103 ( -0.162 0.451 -0.482) 0.680 6.192 ( 0.354 1.122 0.511) 1.282 7.097 ( -2.111 -0.073 -0.286) 2.132 7.156 ( -2.463 0.352 0.380) 2.517 7.902 ( 1.995 -0.091 0.039) 1.997 7.906 ( 2.889 -0.252 -0.007) 2.900 12.225 ( -0.362 -0.209 -0.211) 0.468 12.249 ( 0.153 0.117 0.068) 0.204 12.694 ( 0.363 -0.956 -0.465) 1.123 12.744 ( -1.669 -0.516 -0.375) 1.786 12.801 ( 0.934 0.941 1.004) 1.663 12.845 ( 1.382 -1.898 0.916) 2.521 12.977 ( -0.114 4.967 -1.224) 5.117 13.173 ( -1.189 -1.954 0.293) 2.306======================= Grid point 126 (49/171) =======================q-point: (-0.10 0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( 5.392 -1.110 0.428) 5.522 0.708 ( 8.782 -2.231 -1.546) 9.192 0.842 ( 7.759 -0.741 -1.165) 7.881 1.035 ( 4.344 -0.581 -0.099) 4.384 1.130 ( 1.269 -0.519 1.503) 2.034 1.225 ( 2.953 -0.436 5.255) 6.044 1.297 ( 2.971 0.383 -6.376) 7.045 1.490 ( -0.546 0.344 -0.232) 0.686 1.535 ( -6.801 0.038 -0.635) 6.831 1.745 ( -8.220 1.123 -0.373) 8.305 1.934 ( 5.275 2.577 0.939) 5.945 1.972 ( -5.309 1.230 3.038) 6.239 2.005 ( -0.632 -3.891 -0.079) 3.943 2.029 ( -0.472 -1.125 -1.567) 1.986 2.072 ( -1.636 0.678 -0.298) 1.796 2.292 ( -2.537 -1.613 2.788) 4.101 2.379 ( 2.973 -0.735 -1.682) 3.494 2.463 ( -1.261 1.024 -0.152) 1.631 2.480 ( 7.768 -0.593 -0.978) 7.851 2.546 ( 0.553 0.876 0.108) 1.042 2.556 ( -1.325 -0.849 -0.655) 1.705 2.603 ( 6.568 -0.973 0.118) 6.641 2.787 ( 27.887 -0.470 -0.248) 27.892 2.872 ( 27.713 1.045 0.085) 27.733 4.539 ( 1.075 0.255 -0.028) 1.105 4.542 ( 1.254 0.577 -0.012) 1.381 4.578 ( -13.017 -0.019 -0.092) 13.018 4.612 ( -12.639 0.056 -0.105) 12.640 4.674 ( -4.579 0.288 0.405) 4.606 4.730 ( 1.894 -0.055 0.448) 1.947 4.740 ( -1.393 0.156 -0.430) 1.466 4.754 ( -4.453 0.114 -0.203) 4.459 5.984 ( 2.945 -0.339 -0.032) 2.965 5.992 ( 1.789 -0.708 -0.083) 1.926 6.098 ( 0.747 0.104 -0.261) 0.798 6.179 ( 2.119 0.524 0.186) 2.191 7.150 ( -4.229 -0.019 -0.152) 4.232 7.217 ( -4.151 0.343 0.252) 4.173 7.836 ( 4.864 -0.285 -0.036) 4.873 7.850 ( 4.013 -0.078 0.048) 4.014 12.237 ( -1.193 -0.072 -0.052) 1.196 12.247 ( 0.099 0.034 0.002) 0.105 12.677 ( 0.755 -0.356 -0.167) 0.851 12.765 ( 0.035 0.815 0.059) 0.818 12.779 ( 2.115 -0.610 0.074) 2.202 12.817 ( 0.237 -0.996 0.598) 1.186 13.019 ( -1.250 4.269 -0.394) 4.466 13.178 ( -1.006 -2.215 0.381) 2.462======================= Grid point 130 (50/171) =======================q-point: ( 0.30 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.333 ( 0.000 12.112 8.274) 14.669 0.337 ( 0.000 9.389 11.449) 14.807 0.518 ( 0.000 10.929 11.018) 15.519 0.598 ( 0.000 11.109 12.718) 16.887 0.848 ( -0.000 7.603 -6.448) 9.969 0.850 ( -0.000 4.612 -1.995) 5.025 1.204 ( -0.000 1.079 -8.212) 8.282 1.267 ( 0.000 -2.482 0.127) 2.486 1.334 ( -0.000 1.412 -0.710) 1.581 1.453 ( -0.000 3.300 -2.661) 4.239 1.782 ( 0.000 -3.158 3.488) 4.705 1.916 ( 0.000 -5.553 2.163) 5.960 2.055 ( -0.000 -3.706 -3.990) 5.446 2.061 ( -0.000 4.525 1.449) 4.752 2.127 ( -0.000 0.757 -0.451) 0.882 2.174 ( -0.000 -3.016 -7.620) 8.195 2.264 ( -0.000 3.190 -5.413) 6.283 2.298 ( 0.000 0.512 1.405) 1.495 2.355 ( -0.000 0.750 -2.427) 2.541 2.379 ( -0.000 -1.125 -0.633) 1.291 2.573 ( 0.000 -1.035 0.776) 1.294 2.593 ( 0.000 1.048 2.739) 2.932 2.698 ( 0.000 -0.748 9.572) 9.601 3.020 ( -0.000 -1.390 -4.885) 5.079 4.485 ( 0.000 -1.655 -0.107) 1.658 4.485 ( 0.000 -1.451 -0.121) 1.457 4.629 ( 0.000 0.402 1.468) 1.522 4.755 ( -0.000 -0.120 -2.065) 2.069 4.795 ( 0.000 -0.497 0.616) 0.792 4.858 ( -0.000 -1.449 -0.872) 1.691 4.896 ( 0.000 0.482 0.819) 0.950 4.933 ( -0.000 0.058 -0.225) 0.233 5.911 ( 0.000 -2.237 2.007) 3.005 5.951 ( 0.000 -0.868 -0.148) 0.881 6.061 ( -0.000 0.541 -0.063) 0.545 6.069 ( -0.000 1.682 -1.153) 2.039 7.451 ( 0.000 -0.011 0.128) 0.129 7.456 ( 0.000 -0.052 0.014) 0.053 7.533 ( -0.000 1.058 0.377) 1.124 7.556 ( -0.000 0.692 0.042) 0.693 12.256 ( 0.000 -0.028 0.236) 0.237 12.284 ( -0.000 -0.226 -0.527) 0.573 12.463 ( 0.000 1.107 0.857) 1.400 12.586 ( -0.000 2.279 -3.523) 4.196 12.724 ( -0.000 2.074 0.628) 2.167 12.853 ( -0.000 1.938 -1.668) 2.557 13.099 ( 0.000 -2.028 0.081) 2.029 13.117 ( -0.000 0.463 -0.900) 1.012======================= Grid point 131 (51/171) =======================q-point: ( 0.40 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.510 ( -5.930 7.367 8.508) 12.721 0.634 ( -9.048 9.214 8.476) 15.447 0.702 ( -6.040 5.532 8.316) 11.672 0.870 ( -3.977 8.146 -4.169) 9.978 0.973 ( -22.607 7.059 2.999) 23.872 1.110 ( -8.012 2.318 -5.118) 9.785 1.183 ( -1.625 1.240 -7.535) 7.808 1.295 ( -13.674 3.786 0.488) 14.197 1.377 ( -6.821 0.125 2.287) 7.195 1.528 ( -6.631 2.499 -0.656) 7.117 1.748 ( 2.637 -1.353 3.724) 4.760 1.892 ( 0.643 -5.203 -0.140) 5.245 2.013 ( -0.803 -3.914 -2.786) 4.871 2.083 ( 2.166 -2.755 -7.525) 8.301 2.115 ( 1.778 1.284 -0.077) 2.194 2.149 ( -3.987 3.303 -2.068) 5.575 2.256 ( 1.814 3.210 -1.772) 4.091 2.326 ( -2.492 -0.200 0.602) 2.572 2.361 ( -1.161 -1.729 -0.856) 2.252 2.388 ( -2.741 1.315 -2.157) 3.728 2.569 ( -0.003 -0.085 1.518) 1.520 2.600 ( 1.446 0.598 2.835) 3.238 2.700 ( 2.515 -1.498 6.565) 7.188 2.836 ( 12.416 0.636 -0.156) 12.434 4.481 ( -0.979 -1.737 -0.126) 1.998 4.486 ( -1.438 -1.609 -0.292) 2.178 4.653 ( -1.471 0.059 1.510) 2.109 4.745 ( 0.593 -0.621 -1.364) 1.611 4.784 ( 0.928 -0.319 0.442) 1.076 4.817 ( 2.750 -1.387 -0.703) 3.159 4.883 ( 2.789 -0.263 -0.274) 2.815 4.908 ( 3.125 -0.290 -0.173) 3.143 5.909 ( -1.060 -0.720 0.835) 1.530 5.963 ( -1.499 -0.250 -0.031) 1.520 6.066 ( -0.942 0.294 -0.223) 1.012 6.092 ( -1.400 0.643 0.234) 1.558 7.357 ( 7.150 -0.018 0.063) 7.151 7.369 ( 5.889 -0.272 -0.245) 5.901 7.638 ( -7.079 0.636 -0.054) 7.107 7.661 ( -7.025 0.746 0.293) 7.070 12.253 ( 0.350 -0.067 0.236) 0.428 12.273 ( 0.649 -0.173 -0.352) 0.758 12.552 ( -6.151 -1.212 -0.763) 6.315 12.625 ( -3.780 1.085 -3.041) 4.971 12.746 ( -0.819 0.762 1.518) 1.885 12.853 ( 0.845 2.206 -2.053) 3.129 13.019 ( 3.505 -2.580 1.261) 4.531 13.179 ( -3.054 0.126 -1.848) 3.572======================= Grid point 132 (52/171) =======================q-point: ( 0.50 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( -2.596 3.113 1.836) 4.449 0.823 ( -3.028 6.136 4.257) 8.058 0.868 ( -5.126 4.639 6.052) 9.188 0.943 ( -3.348 2.892 -3.723) 5.782 1.092 ( 0.348 4.276 -2.556) 4.994 1.189 ( -0.852 3.759 -4.564) 5.973 1.318 ( -8.528 0.036 4.274) 9.539 1.436 ( -3.716 -0.992 -0.841) 3.937 1.666 ( 0.917 -0.680 4.543) 4.684 1.765 ( -5.238 0.578 3.240) 6.186 1.821 ( -12.559 0.735 -0.657) 12.598 1.863 ( -13.831 3.826 -1.276) 14.408 1.978 ( -0.559 -2.702 -7.050) 7.570 1.997 ( 1.804 -2.171 0.088) 2.824 2.101 ( 0.225 1.925 -1.281) 2.324 2.191 ( 1.078 3.878 -4.177) 5.800 2.330 ( -13.493 -0.178 -0.177) 13.496 2.358 ( -3.402 -2.960 0.846) 4.588 2.416 ( -5.890 0.093 -0.419) 5.905 2.464 ( -5.565 1.982 -1.183) 6.025 2.569 ( 2.946 -1.658 2.473) 4.189 2.597 ( -2.465 0.408 1.100) 2.730 2.641 ( 5.979 1.592 -1.844) 6.456 2.696 ( 2.477 -1.297 5.484) 6.155 4.493 ( -1.746 -1.393 0.084) 2.236 4.504 ( -1.848 -1.032 -0.409) 2.156 4.677 ( -0.736 -0.922 0.456) 1.265 4.710 ( 2.437 -0.604 -0.316) 2.531 4.744 ( 5.220 -0.474 0.243) 5.247 4.767 ( 2.072 -0.429 0.869) 2.287 4.797 ( 5.417 -0.151 -0.786) 5.476 4.813 ( 6.739 -1.001 -0.623) 6.841 5.943 ( -2.687 0.078 -0.049) 2.688 5.997 ( -2.090 1.045 0.244) 2.350 6.087 ( -1.385 -0.510 0.118) 1.480 6.121 ( -1.469 -0.250 0.134) 1.496 7.245 ( 5.849 -0.081 0.405) 5.864 7.267 ( 5.227 -0.675 -0.681) 5.314 7.758 ( -6.185 0.718 -0.022) 6.226 7.775 ( -5.375 0.687 0.214) 5.423 12.247 ( 0.267 -0.107 0.058) 0.294 12.260 ( 0.766 0.177 0.063) 0.789 12.634 ( -4.653 -0.859 -0.220) 4.737 12.674 ( -2.888 -0.886 -1.937) 3.589 12.770 ( -0.754 -0.308 0.426) 0.919 12.851 ( 0.288 2.986 -1.039) 3.175 12.962 ( 2.141 -1.667 1.642) 3.172 13.199 ( -0.522 -0.524 -1.311) 1.505======================= Grid point 133 (53/171) =======================q-point: ( 0.60 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.670 ( -0.123 -0.568 -3.801) 3.845 0.873 ( 0.472 2.345 0.274) 2.407 0.992 ( -3.172 2.844 3.509) 5.519 1.033 ( -6.335 1.824 0.277) 6.598 1.121 ( -0.391 3.116 -2.422) 3.966 1.238 ( -2.163 4.561 -0.041) 5.048 1.416 ( -2.749 -1.642 3.397) 4.668 1.465 ( -1.191 -1.822 0.157) 2.182 1.629 ( 4.675 1.189 5.245) 7.126 1.701 ( 5.369 -1.567 -0.274) 5.599 1.852 ( 2.175 -0.535 -4.025) 4.606 1.903 ( 1.731 0.074 0.495) 1.801 1.936 ( 4.430 0.582 -0.515) 4.498 2.063 ( 1.473 0.760 -3.768) 4.116 2.164 ( -0.771 1.987 0.861) 2.298 2.238 ( -4.733 2.798 -2.807) 6.173 2.373 ( 2.102 -4.268 0.414) 4.776 2.483 ( 0.080 0.112 1.099) 1.108 2.514 ( 0.470 -2.406 -0.853) 2.596 2.576 ( -4.288 2.177 0.811) 4.877 2.613 ( -6.227 0.714 1.117) 6.367 2.643 ( -4.824 1.934 0.442) 5.216 2.822 ( -25.715 0.509 0.536) 25.726 2.828 ( -26.221 -0.594 0.270) 26.229 4.516 ( -1.540 -0.687 0.263) 1.707 4.525 ( -0.869 -0.347 -0.362) 1.003 4.581 ( 13.144 -0.449 0.250) 13.154 4.598 ( 12.435 -0.486 -0.001) 12.444 4.660 ( 2.872 -0.684 0.390) 2.977 4.684 ( 1.180 -0.911 -1.417) 2.057 4.717 ( 1.936 -1.155 -0.081) 2.256 4.783 ( -0.126 0.211 0.739) 0.779 5.994 ( -2.972 0.615 -0.383) 3.059 6.047 ( -2.101 1.741 0.259) 2.741 6.104 ( -1.054 -0.853 0.625) 1.493 6.135 ( -0.660 -0.977 -0.360) 1.233 7.160 ( 4.216 -0.209 0.455) 4.246 7.182 ( 3.529 -0.515 -0.595) 3.615 7.855 ( -4.220 0.601 0.057) 4.264 7.856 ( -3.858 0.407 -0.030) 3.880 12.244 ( 0.138 0.181 0.054) 0.234 12.250 ( 0.680 0.260 0.099) 0.735 12.687 ( -2.034 -1.178 0.039) 2.351 12.702 ( -2.515 -1.640 -1.009) 3.168 12.771 ( -0.535 -0.634 -0.332) 0.894 12.880 ( -0.379 4.298 -0.441) 4.337 12.929 ( 1.393 -1.275 1.611) 2.483 13.188 ( 0.303 -1.253 -0.780) 1.506======================= Grid point 134 (54/171) =======================q-point: ( 0.70 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.643 ( -0.737 -3.787 -3.858) 5.456 0.888 ( -1.253 1.255 0.106) 1.777 1.071 ( -2.383 1.698 3.193) 4.331 1.125 ( -0.868 2.167 -2.605) 3.498 1.164 ( -6.107 0.746 0.529) 6.175 1.297 ( -1.459 1.439 0.718) 2.171 1.422 ( 2.526 -0.938 1.846) 3.266 1.462 ( -0.149 -1.313 0.581) 1.443 1.524 ( 9.128 -0.632 -2.257) 9.424 1.626 ( 2.758 0.858 2.866) 4.069 1.831 ( -0.045 0.261 -0.213) 0.340 1.852 ( 5.141 1.568 2.825) 6.072 1.872 ( 1.335 0.854 -2.724) 3.151 2.030 ( 0.326 -0.478 -2.803) 2.863 2.168 ( 0.073 -0.620 -0.753) 0.978 2.266 ( 1.754 -3.178 0.991) 3.763 2.316 ( -1.485 0.337 -2.425) 2.863 2.463 ( 1.680 -0.702 1.620) 2.437 2.505 ( -0.288 0.380 -0.787) 0.920 2.607 ( 1.721 1.657 1.225) 2.684 2.705 ( -3.765 0.400 1.051) 3.929 2.724 ( -3.504 0.333 -0.746) 3.598 3.331 ( -29.872 0.070 0.013) 29.872 3.349 ( -29.190 0.385 0.004) 29.193 4.294 ( 18.903 -0.575 -0.044) 18.912 4.323 ( 18.039 -0.063 0.175) 18.040 4.533 ( -0.516 0.109 0.213) 0.569 4.542 ( -0.352 0.384 -0.436) 0.679 4.618 ( 1.235 -0.944 0.139) 1.560 4.660 ( 0.687 -0.278 -0.471) 0.878 4.700 ( -0.463 -1.260 -0.198) 1.357 4.788 ( 0.227 0.318 0.506) 0.639 6.045 ( -2.355 0.811 -0.293) 2.508 6.077 ( -0.168 0.055 -0.175) 0.249 6.116 ( 0.551 -0.546 0.730) 1.065 6.139 ( -1.709 0.102 -0.204) 1.724 7.103 ( 2.291 -0.313 0.031) 2.312 7.136 ( 1.485 -0.069 -0.053) 1.488 7.903 ( -1.801 0.125 -0.076) 1.807 7.918 ( -2.258 0.333 0.063) 2.283 12.238 ( 0.750 0.129 0.038) 0.762 12.247 ( -0.036 0.315 -0.010) 0.317 12.700 ( -1.041 -1.601 0.240) 1.925 12.715 ( -1.272 -1.977 -1.313) 2.693 12.788 ( -0.918 0.712 0.807) 1.414 12.905 ( 1.030 -0.975 1.142) 1.821 12.913 ( 0.082 4.129 -0.875) 4.221 13.172 ( -0.119 -1.610 -0.335) 1.649======================= Grid point 135 (55/171) =======================q-point: (-0.20 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.621 ( -2.691 -5.159 -1.840) 6.102 0.938 ( -1.941 2.586 0.471) 3.267 1.075 ( 0.797 -2.063 0.432) 2.253 1.184 ( 1.654 3.755 4.828) 6.336 1.232 ( 2.671 0.807 -3.420) 4.413 1.313 ( 0.485 -0.293 0.048) 0.569 1.342 ( -0.199 -2.249 -0.839) 2.408 1.396 ( 0.601 -2.246 -1.334) 2.681 1.444 ( 3.001 0.984 -0.461) 3.192 1.605 ( 1.674 1.212 0.234) 2.080 1.804 ( 0.523 0.949 1.328) 1.714 1.839 ( 0.198 1.674 1.105) 2.015 1.903 ( -4.377 -0.785 -0.195) 4.451 2.023 ( -0.795 -0.355 -1.319) 1.580 2.145 ( 1.031 -2.136 -0.652) 2.460 2.235 ( -1.424 -3.379 0.104) 3.668 2.354 ( -1.912 2.179 -0.788) 3.004 2.442 ( 0.825 -0.838 0.946) 1.509 2.511 ( -0.274 0.918 -0.633) 1.148 2.585 ( 2.207 1.051 0.568) 2.510 2.722 ( 1.837 -0.787 -0.084) 2.000 2.754 ( 0.106 -0.518 -0.019) 0.529 3.693 ( 1.016 0.020 -0.000) 1.016 3.696 ( -0.339 0.083 0.015) 0.350 4.026 ( -0.931 -0.342 -0.111) 0.997 4.082 ( -0.136 0.593 0.131) 0.622 4.543 ( -0.544 0.658 0.054) 0.856 4.550 ( -0.062 1.194 -0.064) 1.197 4.603 ( -0.133 -1.089 -0.006) 1.098 4.655 ( -0.614 -0.421 0.045) 0.746 4.705 ( -1.061 -0.758 -0.203) 1.320 4.783 ( 0.881 0.371 0.108) 0.962 6.061 ( 1.068 -0.975 0.154) 1.454 6.080 ( -0.151 -0.281 -0.434) 0.538 6.090 ( 0.758 -0.090 0.076) 0.767 6.176 ( -1.221 1.421 0.237) 1.888 7.080 ( 0.101 -0.215 -0.091) 0.254 7.129 ( -0.521 0.223 0.112) 0.578 7.919 ( -0.009 -0.054 -0.028) 0.062 7.936 ( 0.382 0.032 0.034) 0.385 12.227 ( 0.424 -0.169 -0.080) 0.463 12.250 ( 0.060 0.274 0.033) 0.282 12.702 ( -0.293 -1.422 -0.038) 1.453 12.720 ( -1.577 -1.401 -0.491) 2.166 12.806 ( 0.114 1.096 0.594) 1.252 12.882 ( 0.836 -2.059 0.675) 2.322 12.938 ( 0.431 5.116 -0.806) 5.197 13.168 ( -0.888 -1.691 -0.024) 1.910======================= Grid point 136 (56/171) =======================q-point: (-0.10 0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( -4.877 -3.366 0.000) 5.926 0.926 ( 7.036 2.142 -0.000) 7.355 1.002 ( 12.453 -3.349 -0.000) 12.895 1.090 ( -4.309 -1.856 0.000) 4.692 1.156 ( 7.779 1.960 -0.000) 8.022 1.301 ( 0.987 -0.281 -0.000) 1.026 1.353 ( 6.125 -0.151 -0.000) 6.127 1.420 ( -6.047 -0.337 0.000) 6.056 1.452 ( -4.315 0.378 0.000) 4.331 1.619 ( -3.936 0.638 0.000) 3.987 1.860 ( -5.143 1.409 0.000) 5.332 1.881 ( -3.116 2.129 0.000) 3.774 1.978 ( -4.939 -1.394 0.000) 5.132 2.039 ( -1.396 0.349 0.000) 1.439 2.095 ( 2.715 -3.132 -0.000) 4.145 2.255 ( -3.102 -2.383 0.000) 3.912 2.400 ( -1.433 1.433 0.000) 2.027 2.427 ( 0.217 -0.261 -0.000) 0.340 2.524 ( -0.630 0.785 0.000) 1.006 2.559 ( 1.576 0.711 -0.000) 1.729 2.637 ( 6.570 -1.675 -0.000) 6.780 2.708 ( 4.371 -1.034 -0.000) 4.492 3.316 ( 30.250 -0.325 -0.000) 30.252 3.366 ( 28.276 0.603 -0.000) 28.283 4.300 ( -18.901 0.067 0.000) 18.901 4.333 ( -18.122 0.555 0.000) 18.130 4.555 ( 0.680 1.077 0.000) 1.274 4.555 ( 0.206 0.386 0.000) 0.438 4.614 ( -2.439 -0.566 0.000) 2.503 4.682 ( -2.841 -0.010 0.000) 2.841 4.721 ( -1.215 -0.301 0.000) 1.251 4.764 ( 1.610 0.283 -0.000) 1.635 6.029 ( 1.690 -1.046 -0.000) 1.988 6.038 ( 2.664 -0.854 -0.000) 2.797 6.101 ( -0.151 0.446 0.000) 0.471 6.194 ( 0.381 1.150 0.000) 1.211 7.096 ( -2.103 -0.092 0.000) 2.105 7.157 ( -2.484 0.377 0.000) 2.513 7.902 ( 1.941 -0.106 -0.000) 1.944 7.906 ( 2.943 -0.234 -0.000) 2.952 12.224 ( -0.376 -0.224 0.000) 0.438 12.249 ( 0.164 0.121 -0.000) 0.203 12.692 ( 0.352 -1.032 -0.000) 1.090 12.742 ( -1.740 -0.463 0.000) 1.801 12.805 ( 0.956 0.859 -0.000) 1.285 12.849 ( 1.465 -1.909 -0.000) 2.406 12.971 ( -0.201 5.027 0.000) 5.031 13.174 ( -1.264 -1.912 -0.000) 2.292======================= Grid point 139 (57/171) =======================q-point: ( 0.20 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.547 ( 8.780 0.000 10.839) 13.949 0.612 ( 11.046 0.000 3.275) 11.522 0.742 ( 8.606 0.000 6.200) 10.607 0.948 ( 8.549 -0.000 -6.574) 10.785 1.054 ( -6.206 -0.000 -2.583) 6.722 1.178 ( 0.811 -0.000 -4.850) 4.917 1.280 ( 10.359 0.000 5.350) 11.658 1.482 ( 1.928 -0.000 -1.335) 2.345 1.646 ( 5.470 0.000 1.391) 5.644 1.692 ( 10.110 0.000 4.067) 10.898 1.756 ( 26.674 0.000 -1.456) 26.714 1.886 ( -6.051 -0.000 0.620) 6.082 2.056 ( -2.710 -0.000 -3.553) 4.468 2.066 ( -1.866 0.000 0.853) 2.052 2.124 ( -4.528 -0.000 -0.234) 4.534 2.155 ( 0.258 -0.000 -11.461) 11.464 2.308 ( 11.019 0.000 0.365) 11.025 2.419 ( 0.331 0.000 1.277) 1.320 2.430 ( 8.752 -0.000 -2.025) 8.983 2.451 ( 6.289 -0.000 -3.047) 6.988 2.520 ( 2.086 0.000 1.460) 2.546 2.546 ( -1.550 -0.000 -0.099) 1.554 2.640 ( -2.134 0.000 5.371) 5.779 2.655 ( -1.216 0.000 7.088) 7.191 4.518 ( 1.200 0.000 0.039) 1.200 4.520 ( 1.274 0.000 -0.051) 1.275 4.690 ( 2.359 0.000 0.775) 2.483 4.724 ( -3.096 -0.000 -0.335) 3.114 4.750 ( -6.678 -0.000 0.135) 6.679 4.766 ( -1.319 0.000 0.684) 1.486 4.807 ( -7.917 -0.000 -0.830) 7.960 4.839 ( -5.393 -0.000 -0.859) 5.461 5.942 ( 2.180 0.000 0.833) 2.333 5.963 ( 1.169 0.000 -0.032) 1.169 6.090 ( 1.117 0.000 0.936) 1.457 6.130 ( 3.159 0.000 -0.251) 3.169 7.242 ( -6.003 -0.000 0.427) 6.018 7.290 ( -5.041 -0.000 -1.052) 5.150 7.743 ( 5.887 0.000 0.192) 5.890 7.762 ( 5.981 0.000 -0.269) 5.987 12.248 ( -0.179 0.000 0.127) 0.219 12.259 ( -1.269 -0.000 -0.166) 1.280 12.651 ( 2.745 -0.000 -0.789) 2.856 12.728 ( 2.456 0.000 1.870) 3.087 12.743 ( 2.690 -0.000 -3.351) 4.297 12.812 ( -1.318 -0.000 -1.246) 1.814 13.075 ( -1.720 0.000 0.642) 1.836 13.157 ( 0.339 -0.000 -2.226) 2.252======================= Grid point 141 (58/171) =======================q-point: ( 0.40 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.408 ( 0.000 9.891 9.105) 13.444 0.428 ( 0.000 10.759 10.003) 14.691 0.604 ( 0.000 4.689 7.824) 9.122 0.720 ( 0.000 7.037 14.411) 16.038 0.786 ( -0.000 7.335 -8.009) 10.860 0.847 ( 0.000 7.499 3.045) 8.094 1.123 ( -0.000 1.056 -10.533) 10.586 1.242 ( -0.000 -0.364 -6.111) 6.121 1.343 ( 0.000 1.225 2.492) 2.776 1.434 ( -0.000 2.597 -2.069) 3.320 1.813 ( 0.000 -2.372 3.889) 4.556 1.936 ( 0.000 -5.347 2.360) 5.845 2.025 ( -0.000 -5.150 -3.132) 6.028 2.070 ( -0.000 1.638 -2.775) 3.223 2.089 ( -0.000 1.129 -7.259) 7.346 2.123 ( -0.000 1.276 -0.634) 1.424 2.247 ( -0.000 2.127 0.150) 2.132 2.314 ( 0.000 0.184 2.035) 2.044 2.331 ( -0.000 1.175 -3.152) 3.364 2.372 ( -0.000 -1.018 -0.979) 1.413 2.580 ( 0.000 -0.243 0.860) 0.894 2.606 ( -0.000 2.541 0.481) 2.586 2.775 ( 0.000 -1.670 8.398) 8.563 2.980 ( -0.000 -2.533 -4.517) 5.179 4.484 ( 0.000 -1.614 -0.102) 1.617 4.484 ( 0.000 -1.462 -0.128) 1.468 4.645 ( 0.000 0.383 2.079) 2.114 4.735 ( -0.000 0.027 -2.600) 2.600 4.802 ( 0.000 -0.838 1.095) 1.379 4.849 ( -0.000 -1.398 -1.197) 1.840 4.904 ( 0.000 0.428 0.909) 1.005 4.930 ( -0.000 0.227 -0.481) 0.532 5.926 ( 0.000 -2.062 1.342) 2.460 5.949 ( 0.000 -0.991 -0.264) 1.025 6.060 ( -0.000 0.605 -0.088) 0.612 6.062 ( -0.000 1.506 -0.526) 1.596 7.453 ( 0.000 -0.036 0.150) 0.154 7.456 ( 0.000 -0.066 -0.008) 0.067 7.537 ( 0.000 1.078 0.507) 1.191 7.554 ( -0.000 0.986 -0.283) 1.026 12.258 ( 0.000 -0.018 0.376) 0.377 12.279 ( -0.000 -0.171 -0.656) 0.678 12.473 ( 0.000 1.205 1.326) 1.792 12.555 ( -0.000 2.207 -3.513) 4.149 12.739 ( 0.000 1.522 2.479) 2.909 12.836 ( -0.000 1.680 -2.318) 2.863 13.100 ( 0.000 -1.683 0.135) 1.689 13.111 ( -0.000 -0.006 -0.556) 0.556======================= Grid point 142 (59/171) =======================q-point: ( 0.50 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.581 ( -4.741 6.656 8.062) 11.479 0.701 ( -8.875 6.210 5.668) 12.225 0.777 ( -5.607 4.798 8.804) 11.488 0.832 ( -3.036 6.990 -3.305) 8.307 0.995 ( -18.275 3.973 0.531) 18.710 1.080 ( -7.786 6.083 -1.188) 9.951 1.114 ( -4.197 1.120 -8.100) 9.191 1.291 ( -15.322 5.704 -1.235) 16.395 1.395 ( -6.414 0.027 1.770) 6.654 1.521 ( -8.635 3.061 -0.727) 9.191 1.787 ( 2.770 -1.321 5.333) 6.154 1.889 ( 2.014 -4.801 -0.428) 5.224 1.986 ( 0.806 -2.833 -5.851) 6.550 2.014 ( -0.535 -2.940 -5.661) 6.402 2.116 ( 1.662 1.365 0.270) 2.168 2.134 ( -1.917 3.321 -1.353) 4.066 2.259 ( 0.511 1.866 1.709) 2.581 2.330 ( -1.554 -0.640 0.226) 1.696 2.351 ( -2.451 0.403 -1.590) 2.949 2.372 ( -2.025 0.371 -1.163) 2.364 2.582 ( 0.237 0.854 1.534) 1.771 2.615 ( 1.188 1.934 0.553) 2.336 2.747 ( 4.752 -2.642 4.338) 6.956 2.835 ( 8.881 -1.877 -0.135) 9.078 4.479 ( -1.038 -1.646 -0.154) 1.952 4.484 ( -1.354 -1.724 -0.155) 2.198 4.668 ( -1.123 -0.142 1.806) 2.132 4.731 ( -0.203 -0.370 -1.702) 1.754 4.788 ( 1.146 -0.536 0.629) 1.412 4.810 ( 2.412 -1.276 -0.888) 2.869 4.882 ( 3.315 -0.184 0.052) 3.321 4.906 ( 3.168 -0.074 -0.269) 3.181 5.915 ( -0.712 -0.958 0.570) 1.323 5.963 ( -1.618 -0.244 -0.028) 1.637 6.065 ( -1.086 0.139 -0.126) 1.102 6.094 ( -1.658 0.586 0.140) 1.764 7.358 ( 7.014 -0.067 0.054) 7.014 7.367 ( 6.257 -0.099 -0.160) 6.260 7.638 ( -6.985 0.636 0.063) 7.014 7.663 ( -7.074 0.998 0.087) 7.144 12.255 ( 0.427 -0.126 0.282) 0.527 12.270 ( 0.492 -0.023 -0.373) 0.618 12.547 ( -5.405 -0.301 -0.340) 5.424 12.601 ( -4.270 1.162 -2.470) 5.068 12.763 ( -0.446 0.810 2.293) 2.473 12.834 ( 0.459 1.929 -2.335) 3.063 13.028 ( 3.282 -2.217 0.822) 4.045 13.166 ( -2.843 0.314 -1.223) 3.111======================= Grid point 143 (60/171) =======================q-point: ( 0.60 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( 0.360 0.717 1.451) 1.658 0.843 ( -2.932 4.500 0.425) 5.387 0.912 ( -3.926 3.728 2.798) 6.094 0.935 ( -3.183 4.767 2.717) 6.344 1.069 ( -0.999 4.106 -2.639) 4.982 1.152 ( -2.570 5.218 -3.709) 6.898 1.348 ( -9.092 -0.214 2.586) 9.455 1.430 ( -3.683 -0.681 -0.664) 3.804 1.707 ( -0.636 0.236 4.735) 4.784 1.787 ( 1.181 -0.804 1.540) 2.101 1.821 ( -10.902 -0.687 0.664) 10.944 1.849 ( -14.775 5.170 -1.327) 15.709 1.916 ( -6.523 -1.105 -7.023) 9.648 2.005 ( 0.574 -1.443 1.478) 2.144 2.081 ( 2.757 1.573 -2.776) 4.217 2.170 ( -0.051 3.396 -1.107) 3.572 2.328 ( -13.252 -2.145 -0.243) 13.427 2.371 ( -3.524 -0.447 2.010) 4.082 2.409 ( -5.370 -0.450 -1.382) 5.563 2.456 ( -6.363 2.581 -0.594) 6.892 2.587 ( 3.777 -1.651 1.853) 4.520 2.606 ( -0.071 -0.758 0.587) 0.962 2.626 ( 3.454 1.749 -1.569) 4.177 2.732 ( 2.683 -1.455 2.822) 4.157 4.493 ( -1.787 -1.204 0.104) 2.157 4.501 ( -1.868 -1.258 -0.305) 2.272 4.680 ( -0.260 -1.180 0.286) 1.242 4.708 ( 2.383 -0.546 -0.145) 2.449 4.746 ( 4.365 -0.419 0.171) 4.389 4.775 ( 1.872 -0.339 0.868) 2.091 4.790 ( 5.236 -0.315 -0.752) 5.299 4.808 ( 7.470 -0.740 -0.518) 7.524 5.942 ( -2.518 -0.084 -0.025) 2.520 5.999 ( -2.171 1.094 0.136) 2.435 6.088 ( -1.682 -0.790 0.070) 1.860 6.122 ( -1.235 -0.123 0.084) 1.244 7.249 ( 5.599 -0.194 0.491) 5.624 7.261 ( 5.490 -0.493 -0.654) 5.551 7.757 ( -6.215 0.668 0.008) 6.251 7.776 ( -5.268 0.784 0.104) 5.327 12.248 ( 0.322 -0.146 0.045) 0.356 12.261 ( 0.665 0.268 0.033) 0.718 12.633 ( -4.935 -0.765 -0.116) 4.995 12.660 ( -3.158 -0.679 -1.175) 3.437 12.773 ( 0.058 -0.802 0.270) 0.848 12.844 ( -0.258 3.421 -0.536) 3.473 12.973 ( 2.048 -1.452 0.916) 2.672 13.190 ( -0.647 -0.419 -0.814) 1.121======================= Grid point 144 (61/171) =======================q-point: ( 0.70 0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.647 ( 0.492 -1.528 -1.428) 2.148 0.875 ( 0.630 1.779 0.042) 1.888 1.016 ( -2.279 2.857 1.802) 4.074 1.035 ( -6.720 2.219 0.168) 7.079 1.103 ( -0.420 2.889 -1.346) 3.215 1.238 ( -2.936 5.081 -0.007) 5.869 1.438 ( -2.183 -1.400 1.453) 2.972 1.464 ( -1.783 -2.169 -0.244) 2.819 1.672 ( 6.733 0.878 3.844) 7.803 1.697 ( 5.076 -0.338 -0.322) 5.097 1.811 ( -0.631 -1.867 -4.046) 4.500 1.902 ( 1.801 0.858 -0.265) 2.012 1.956 ( 6.264 1.547 3.356) 7.273 2.027 ( 0.844 0.319 -3.778) 3.884 2.170 ( 0.178 0.483 0.444) 0.680 2.223 ( -6.696 3.512 -0.848) 7.608 2.375 ( 3.815 -3.609 0.065) 5.252 2.493 ( -0.342 -1.175 1.342) 1.817 2.505 ( -0.234 -2.207 -1.257) 2.550 2.582 ( -4.435 2.180 0.348) 4.954 2.617 ( -8.310 0.805 0.134) 8.350 2.647 ( -3.613 2.160 0.335) 4.223 2.826 ( -26.794 0.740 0.322) 26.806 2.830 ( -23.773 -0.808 0.008) 23.786 4.518 ( -1.505 -0.516 0.286) 1.616 4.522 ( -1.164 -0.556 -0.326) 1.331 4.582 ( 13.248 -0.590 0.120) 13.261 4.597 ( 12.801 -0.219 -0.035) 12.803 4.665 ( 2.977 -0.903 0.688) 3.186 4.674 ( 1.287 -0.903 -1.029) 1.879 4.717 ( 1.590 -1.103 -0.036) 1.935 4.787 ( -0.256 0.234 0.248) 0.426 5.992 ( -2.938 0.529 -0.130) 2.988 6.049 ( -2.024 1.734 0.076) 2.667 6.108 ( -1.542 -1.151 0.301) 1.948 6.132 ( -0.260 -0.655 -0.193) 0.731 7.163 ( 4.352 -0.432 0.276) 4.382 7.178 ( 3.364 -0.266 -0.329) 3.390 7.855 ( -4.267 0.560 0.055) 4.304 7.856 ( -3.774 0.450 -0.045) 3.801 12.245 ( 0.058 0.160 0.024) 0.172 12.251 ( 0.777 0.279 0.035) 0.826 12.689 ( -2.029 -1.369 0.341) 2.472 12.694 ( -2.536 -1.633 -0.739) 3.105 12.770 ( -0.871 -0.573 -0.048) 1.044 12.877 ( 0.003 4.590 -0.201) 4.594 12.939 ( 1.252 -1.368 0.614) 1.953 13.183 ( 0.187 -1.256 -0.313) 1.308======================= Grid point 145 (62/171) =======================q-point: (-0.20 -0.70 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.626 ( -0.857 -4.304 -0.000) 4.388 0.888 ( -1.478 1.064 0.000) 1.822 1.095 ( -4.239 3.546 0.000) 5.527 1.104 ( 0.953 0.573 -0.000) 1.112 1.166 ( -6.352 0.655 0.000) 6.386 1.301 ( -1.143 1.958 0.000) 2.267 1.432 ( 1.571 -1.211 -0.000) 1.983 1.464 ( 0.342 -1.221 -0.000) 1.268 1.511 ( 10.444 -1.523 -0.000) 10.555 1.642 ( 3.463 1.813 -0.000) 3.909 1.824 ( -1.852 -1.167 0.000) 2.189 1.860 ( 3.293 2.088 -0.000) 3.899 1.872 ( 4.162 1.682 -0.000) 4.489 2.015 ( -0.098 -0.350 -0.000) 0.363 2.165 ( 0.129 -1.009 -0.000) 1.018 2.273 ( 2.289 -5.391 -0.000) 5.857 2.303 ( -2.120 2.283 0.000) 3.116 2.471 ( 1.365 -1.397 -0.000) 1.953 2.501 ( 0.026 1.109 0.000) 1.109 2.612 ( 1.700 1.730 -0.000) 2.426 2.711 ( -3.184 0.163 0.000) 3.188 2.719 ( -3.917 0.477 0.000) 3.946 3.331 ( -29.886 0.012 0.000) 29.886 3.349 ( -29.157 0.465 0.000) 29.161 4.294 ( 18.928 -0.614 -0.000) 18.938 4.324 ( 18.053 -0.025 -0.000) 18.053 4.535 ( -0.391 0.167 0.000) 0.425 4.539 ( -0.524 0.322 0.000) 0.615 4.619 ( 1.274 -1.004 -0.000) 1.622 4.658 ( 0.510 -0.184 -0.000) 0.542 4.699 ( -0.394 -1.339 -0.000) 1.395 4.790 ( 0.280 0.337 -0.000) 0.438 6.044 ( -2.406 0.779 0.000) 2.529 6.076 ( -0.110 0.013 0.000) 0.111 6.119 ( 0.934 -0.941 -0.000) 1.326 6.138 ( -2.099 0.578 0.000) 2.177 7.103 ( 2.331 -0.387 -0.000) 2.363 7.136 ( 1.431 0.017 -0.000) 1.431 7.903 ( -1.798 0.118 0.000) 1.802 7.918 ( -2.261 0.342 0.000) 2.287 12.238 ( 0.791 0.075 -0.000) 0.795 12.247 ( -0.055 0.350 0.000) 0.354 12.703 ( -0.989 -1.584 -0.000) 1.868 12.707 ( -1.323 -2.063 -0.000) 2.450 12.792 ( -1.099 0.677 0.000) 1.291 12.907 ( 0.513 5.094 0.000) 5.119 12.912 ( 0.790 -1.861 -0.000) 2.022 13.170 ( -0.194 -1.620 -0.000) 1.632======================= Grid point 150 (63/171) =======================q-point: ( 0.20 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.705 ( 2.122 1.152 0.803) 2.545 0.750 ( 6.758 -3.084 2.595) 7.869 0.894 ( 5.743 -0.793 4.405) 7.281 1.038 ( 6.114 0.389 -0.080) 6.127 1.069 ( 6.034 -1.205 -3.871) 7.270 1.151 ( 0.143 -1.145 -3.522) 3.706 1.413 ( 4.041 0.336 5.970) 7.217 1.499 ( 0.448 0.558 0.589) 0.927 1.569 ( -6.653 -0.160 3.380) 7.464 1.758 ( -7.543 1.126 0.439) 7.639 1.881 ( -3.015 0.349 -4.527) 5.450 1.922 ( -0.221 0.052 -1.278) 1.298 1.979 ( -1.521 0.546 -2.532) 3.004 2.048 ( -2.286 -1.617 -1.160) 3.031 2.091 ( 2.018 0.003 2.283) 3.047 2.219 ( 4.983 -0.750 -4.022) 6.447 2.410 ( -0.536 0.056 1.225) 1.338 2.472 ( 2.821 -1.248 0.452) 3.117 2.515 ( 1.867 0.420 2.564) 3.199 2.547 ( 1.824 0.739 0.547) 2.043 2.578 ( -0.202 -0.789 1.253) 1.495 2.596 ( 6.679 -0.994 -0.622) 6.781 2.800 ( 26.593 -0.155 1.364) 26.628 2.866 ( 25.827 0.819 -0.639) 25.848 4.540 ( 1.190 0.376 0.081) 1.251 4.542 ( 1.290 0.495 0.039) 1.383 4.583 ( -12.875 0.019 0.477) 12.884 4.613 ( -13.543 0.159 -0.183) 13.545 4.664 ( -3.565 -0.016 -0.145) 3.568 4.715 ( -1.647 0.217 -1.274) 2.093 4.749 ( -1.567 0.898 0.404) 1.851 4.762 ( -0.933 -0.697 0.656) 1.337 5.985 ( 2.474 0.164 0.065) 2.481 5.996 ( 2.025 -1.118 0.240) 2.326 6.111 ( 0.762 0.173 1.195) 1.428 6.169 ( 1.789 0.460 -0.903) 2.056 7.158 ( -4.162 0.025 0.731) 4.225 7.205 ( -4.049 0.269 -1.048) 4.191 7.838 ( 4.736 -0.264 0.169) 4.746 7.848 ( 4.111 -0.126 -0.207) 4.118 12.239 ( -0.942 -0.053 0.210) 0.966 12.247 ( -0.037 0.007 -0.044) 0.057 12.686 ( 1.369 -0.182 0.955) 1.679 12.759 ( 1.472 1.322 -0.815) 2.140 12.776 ( 0.462 -0.407 -0.236) 0.660 12.793 ( 0.410 -1.682 -1.678) 2.411 13.037 ( -0.616 4.431 1.495) 4.717 13.161 ( -0.524 -2.743 -1.438) 3.141======================= Grid point 151 (64/171) =======================q-point: ( 0.30 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.643 ( 4.340 0.000 10.975) 11.802 0.646 ( 9.340 0.000 4.560) 10.394 0.801 ( 7.009 0.000 7.242) 10.078 0.893 ( 9.034 -0.000 -5.859) 10.767 1.027 ( -3.923 -0.000 -3.648) 5.357 1.127 ( 1.291 -0.000 -6.768) 6.890 1.326 ( 11.005 0.000 5.411) 12.263 1.467 ( 3.702 -0.000 -2.242) 4.328 1.661 ( 7.263 0.000 2.173) 7.581 1.732 ( 8.229 0.000 5.206) 9.737 1.741 ( 23.128 0.000 -1.887) 23.204 1.891 ( -5.726 -0.000 0.499) 5.748 2.023 ( -1.573 -0.000 -3.979) 4.279 2.052 ( 3.112 -0.000 -9.109) 9.626 2.081 ( -2.110 -0.000 -0.497) 2.168 2.118 ( -3.934 -0.000 -1.001) 4.060 2.318 ( 10.739 0.000 1.929) 10.911 2.420 ( 3.263 -0.000 -2.166) 3.916 2.420 ( 8.101 0.000 -0.469) 8.114 2.429 ( 6.178 0.000 -1.013) 6.260 2.531 ( 0.539 0.000 1.026) 1.159 2.545 ( -1.508 -0.000 -0.168) 1.517 2.684 ( -3.199 0.000 4.803) 5.770 2.706 ( -3.480 0.000 4.616) 5.781 4.518 ( 1.251 0.000 0.038) 1.252 4.520 ( 1.305 0.000 -0.057) 1.307 4.698 ( 1.497 0.000 0.986) 1.792 4.721 ( -2.827 -0.000 -0.328) 2.846 4.752 ( -5.840 -0.000 0.300) 5.847 4.770 ( -0.890 0.000 0.296) 0.938 4.800 ( -8.034 -0.000 -0.490) 8.049 4.830 ( -5.600 -0.000 -1.155) 5.718 5.949 ( 1.838 0.000 0.776) 1.996 5.963 ( 1.212 0.000 -0.094) 1.215 6.099 ( 1.275 0.000 1.101) 1.685 6.127 ( 2.846 0.000 -0.423) 2.878 7.247 ( -5.841 -0.000 0.629) 5.875 7.280 ( -5.036 -0.000 -1.198) 5.177 7.745 ( 5.955 0.000 0.299) 5.963 7.759 ( 5.988 0.000 -0.366) 5.999 12.249 ( -0.267 0.000 0.184) 0.324 12.257 ( -1.063 -0.000 -0.221) 1.086 12.646 ( 3.709 0.000 -0.153) 3.712 12.712 ( 4.197 -0.000 -3.733) 5.617 12.744 ( 1.443 0.000 1.925) 2.406 12.801 ( -1.195 -0.000 -1.334) 1.791 13.081 ( -1.273 0.000 0.976) 1.604 13.137 ( 0.506 -0.000 -2.229) 2.286======================= Grid point 153 (65/171) =======================q-point: ( 0.50 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.483 ( 0.000 8.739 8.137) 11.940 0.506 ( 0.000 11.174 7.825) 13.641 0.637 ( -0.000 3.321 0.297) 3.334 0.714 ( -0.000 6.899 -8.458) 10.914 0.825 ( 0.000 1.695 10.999) 11.129 0.928 ( 0.000 9.086 14.530) 17.137 1.027 ( -0.000 1.212 -11.841) 11.903 1.168 ( -0.000 2.389 -10.975) 11.232 1.368 ( 0.000 1.029 3.158) 3.321 1.416 ( -0.000 1.832 -2.274) 2.921 1.852 ( 0.000 -1.525 5.340) 5.554 1.956 ( 0.000 -5.143 2.184) 5.588 1.985 ( -0.000 -0.873 -10.070) 10.108 2.001 ( -0.000 -5.544 -2.743) 6.186 2.093 ( 0.000 3.385 1.698) 3.787 2.116 ( -0.000 1.875 -0.934) 2.095 2.256 ( 0.000 1.659 1.807) 2.453 2.303 ( -0.000 1.424 -3.281) 3.577 2.331 ( 0.000 -0.077 2.059) 2.061 2.362 ( -0.000 -0.735 -1.396) 1.578 2.588 ( 0.000 0.742 1.027) 1.267 2.604 ( -0.000 2.619 -0.642) 2.697 2.841 ( 0.000 -2.390 7.016) 7.412 2.940 ( -0.000 -3.041 -4.883) 5.753 4.483 ( 0.000 -1.568 -0.054) 1.569 4.483 ( 0.000 -1.488 -0.088) 1.490 4.665 ( 0.000 0.337 2.536) 2.559 4.712 ( -0.000 0.158 -2.830) 2.835 4.813 ( 0.000 -1.066 1.374) 1.739 4.838 ( -0.000 -1.323 -1.406) 1.931 4.911 ( 0.000 0.394 0.884) 0.968 4.925 ( -0.000 0.320 -0.665) 0.738 5.935 ( 0.000 -1.704 0.907) 1.931 5.946 ( 0.000 -1.164 -0.419) 1.237 6.059 ( -0.000 1.179 -0.149) 1.189 6.059 ( -0.000 0.721 -0.088) 0.726 7.454 ( 0.000 -0.060 0.137) 0.149 7.456 ( -0.000 -0.075 -0.049) 0.090 7.542 ( 0.000 1.105 0.574) 1.245 7.551 ( -0.000 1.108 -0.475) 1.205 12.262 ( 0.000 -0.023 0.518) 0.519 12.273 ( -0.000 -0.106 -0.689) 0.697 12.486 ( 0.000 1.353 1.835) 2.280 12.527 ( -0.000 1.865 -2.964) 3.502 12.763 ( 0.000 1.252 3.014) 3.263 12.814 ( -0.000 1.428 -2.785) 3.129 13.102 ( 0.000 -1.286 0.202) 1.301 13.107 ( -0.000 -0.450 -0.390) 0.595======================= Grid point 154 (66/171) =======================q-point: ( 0.60 0.40 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.648 ( -3.736 5.968 7.447) 10.249 0.704 ( -5.785 6.127 -4.446) 9.528 0.831 ( -6.776 4.145 2.513) 8.331 0.840 ( -7.963 5.131 4.124) 10.332 0.986 ( -7.419 2.165 -0.702) 7.761 1.043 ( -5.801 2.706 -5.993) 8.769 1.095 ( -10.815 5.801 1.661) 12.385 1.279 ( -18.002 7.850 -1.145) 19.673 1.405 ( -5.853 -0.011 0.674) 5.891 1.517 ( -9.912 3.291 -0.317) 10.449 1.840 ( 2.621 -1.158 7.222) 7.770 1.885 ( 2.828 -4.780 -0.436) 5.571 1.912 ( 2.526 -0.809 -8.841) 9.230 1.997 ( -2.774 -4.115 -0.503) 4.988 2.119 ( 1.341 1.313 0.421) 1.924 2.125 ( -0.400 2.895 -0.726) 3.012 2.276 ( 0.190 0.712 1.640) 1.798 2.325 ( -2.676 1.483 -1.255) 3.307 2.342 ( -1.516 -0.263 -0.278) 1.563 2.367 ( -2.075 -0.030 -0.215) 2.086 2.594 ( 0.588 1.856 1.209) 2.292 2.613 ( 0.860 2.287 -0.660) 2.531 2.773 ( 7.369 -4.026 1.684) 8.564 2.834 ( 5.453 -2.412 -0.194) 5.966 4.478 ( -1.072 -1.609 -0.069) 1.935 4.484 ( -1.301 -1.781 -0.043) 2.206 4.682 ( -0.553 -0.511 1.257) 1.465 4.718 ( -1.079 0.091 -1.232) 1.640 4.795 ( 1.572 -0.831 0.860) 1.975 4.803 ( 1.999 -1.082 -0.953) 2.465 4.883 ( 3.635 -0.202 0.079) 3.642 4.904 ( 3.158 0.070 -0.137) 3.162 5.919 ( -0.527 -1.062 0.198) 1.202 5.963 ( -1.698 -0.241 -0.011) 1.715 6.064 ( -1.158 0.047 -0.039) 1.160 6.095 ( -1.800 0.558 0.045) 1.885 7.358 ( 6.910 -0.102 0.022) 6.911 7.366 ( 6.493 -0.010 -0.055) 6.493 7.638 ( -6.917 0.619 0.043) 6.945 7.663 ( -7.126 1.147 0.007) 7.218 12.257 ( 0.537 -0.234 0.169) 0.610 12.267 ( 0.331 0.144 -0.203) 0.414 12.546 ( -4.655 0.285 -0.023) 4.664 12.585 ( -4.781 1.063 -0.970) 4.993 12.782 ( 0.239 0.500 1.946) 2.023 12.815 ( -0.235 2.035 -1.925) 2.811 13.033 ( 3.158 -1.995 0.284) 3.746 13.159 ( -2.680 0.334 -0.422) 2.733======================= Grid point 155 (67/171) =======================q-point: (-0.30 -0.60 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.675 ( 1.790 -0.356 -0.000) 1.825 0.842 ( -4.160 4.218 0.000) 5.924 0.922 ( -2.452 3.662 0.000) 4.407 0.956 ( -2.391 5.015 0.000) 5.556 1.055 ( -2.007 3.442 0.000) 3.985 1.134 ( -3.550 6.378 0.000) 7.300 1.360 ( -9.380 -0.358 0.000) 9.387 1.426 ( -3.531 -0.521 0.000) 3.569 1.733 ( -3.426 1.465 0.000) 3.727 1.792 ( 1.197 -1.485 -0.000) 1.907 1.820 ( 0.947 -1.201 -0.000) 1.529 1.858 ( -5.110 0.523 0.000) 5.137 1.871 ( -25.552 3.975 0.000) 25.860 2.014 ( -1.242 -0.953 0.000) 1.565 2.066 ( 5.307 1.188 -0.000) 5.439 2.166 ( -0.621 3.174 0.000) 3.234 2.327 ( -12.983 -2.642 0.000) 13.249 2.385 ( -2.431 1.532 0.000) 2.874 2.397 ( -6.522 -1.826 0.000) 6.773 2.454 ( -6.584 2.685 0.000) 7.110 2.601 ( 1.967 2.082 -0.000) 2.865 2.602 ( 6.288 -5.417 -0.000) 8.299 2.619 ( -0.883 2.335 0.000) 2.497 2.744 ( 2.762 -1.503 -0.000) 3.144 4.494 ( -1.811 -1.039 0.000) 2.087 4.499 ( -1.866 -1.438 0.000) 2.356 4.682 ( -0.062 -1.298 -0.000) 1.300 4.708 ( 2.405 -0.510 -0.000) 2.459 4.747 ( 3.927 -0.408 -0.000) 3.948 4.780 ( 0.111 0.148 -0.000) 0.185 4.785 ( 6.714 -0.873 -0.000) 6.770 4.805 ( 7.942 -0.583 -0.000) 7.963 5.942 ( -2.460 -0.141 0.000) 2.464 5.999 ( -2.196 1.111 0.000) 2.461 6.088 ( -1.795 -0.893 0.000) 2.005 6.122 ( -1.150 -0.078 0.000) 1.152 7.252 ( 5.181 -0.306 -0.000) 5.190 7.257 ( 5.916 -0.356 -0.000) 5.927 7.758 ( -6.222 0.649 0.000) 6.256 7.777 ( -5.235 0.821 0.000) 5.299 12.248 ( 0.343 -0.160 -0.000) 0.378 12.261 ( 0.626 0.303 -0.000) 0.695 12.632 ( -5.076 -0.763 0.000) 5.133 12.655 ( -3.210 -0.560 0.000) 3.259 12.774 ( 0.402 -1.020 -0.000) 1.096 12.842 ( -0.502 3.612 0.000) 3.647 12.977 ( 2.004 -1.374 -0.000) 2.430 13.186 ( -0.685 -0.390 0.000) 0.788======================= Grid point 161 (68/171) =======================q-point: ( 0.20 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.711 ( 0.163 -0.785 3.489) 3.580 0.873 ( 5.684 1.476 -3.777) 6.982 0.993 ( 3.575 -2.158 0.860) 4.264 1.074 ( -2.371 -2.078 -1.487) 3.486 1.178 ( 9.136 1.371 1.212) 9.318 1.245 ( 7.509 -1.148 -1.157) 7.684 1.457 ( -4.877 1.422 2.388) 5.613 1.478 ( -0.390 -0.505 4.103) 4.152 1.485 ( -4.308 -0.063 2.475) 4.969 1.638 ( -5.207 0.515 -1.415) 5.420 1.808 ( -1.826 0.464 0.242) 1.899 1.827 ( -5.352 -0.103 -0.779) 5.410 1.936 ( -1.268 2.199 -3.580) 4.389 2.023 ( -1.378 -2.774 -2.942) 4.271 2.157 ( 2.198 -0.489 3.500) 4.162 2.248 ( 0.316 -0.643 -0.517) 0.883 2.404 ( -0.269 0.420 -0.170) 0.527 2.446 ( -2.441 1.606 1.969) 3.523 2.530 ( 0.106 0.463 -1.706) 1.771 2.555 ( -1.275 -0.863 1.218) 1.963 2.661 ( 5.658 -1.363 1.510) 6.013 2.702 ( 4.604 -1.024 -0.573) 4.751 3.324 ( 29.916 -0.172 0.628) 29.923 3.354 ( 28.697 0.341 -0.843) 28.711 4.307 ( -18.870 0.232 0.493) 18.877 4.329 ( -18.468 0.301 -0.361) 18.474 4.554 ( 0.170 0.849 -0.058) 0.868 4.556 ( 0.803 1.134 0.059) 1.390 4.616 ( -2.102 -0.693 0.415) 2.252 4.661 ( -2.234 -0.624 -1.392) 2.705 4.733 ( -0.473 0.874 0.701) 1.216 4.771 ( 0.254 -0.421 0.304) 0.577 6.025 ( 2.087 -0.368 -0.112) 2.122 6.043 ( 2.133 -1.352 0.123) 2.529 6.120 ( -0.160 0.485 1.412) 1.502 6.176 ( 0.176 0.921 -1.372) 1.662 7.106 ( -2.188 0.094 0.757) 2.317 7.144 ( -2.309 0.146 -0.908) 2.486 7.901 ( 2.222 -0.025 -0.054) 2.222 7.906 ( 2.663 -0.335 0.003) 2.684 12.231 ( -0.264 -0.106 0.480) 0.558 12.246 ( 0.077 0.076 -0.246) 0.269 12.708 ( 0.329 -0.372 1.187) 1.287 12.757 ( -1.106 -0.925 1.131) 1.832 12.775 ( 0.912 1.099 -1.772) 2.276 12.819 ( 0.936 -1.784 -1.984) 2.827 13.007 ( 0.197 4.972 1.852) 5.310 13.164 ( -0.746 -2.318 -0.653) 2.521======================= Grid point 162 (69/171) =======================q-point: ( 0.30 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.713 ( 1.593 2.352 0.968) 3.001 0.768 ( 3.366 -3.412 1.529) 5.031 0.934 ( 4.802 -0.698 4.693) 6.750 1.027 ( 8.213 0.536 -2.673) 8.654 1.052 ( 5.370 -1.188 -0.041) 5.500 1.121 ( 1.922 -1.774 -3.454) 4.332 1.457 ( 3.811 0.438 4.218) 5.702 1.502 ( 1.273 0.580 0.125) 1.405 1.604 ( -6.565 -0.228 4.907) 8.199 1.748 ( -7.254 0.793 -3.236) 7.983 1.855 ( -2.631 -0.071 -0.930) 2.791 1.912 ( -0.162 0.180 -1.589) 1.607 1.962 ( -3.657 1.328 -1.045) 4.029 2.028 ( -2.912 -1.467 -3.110) 4.506 2.113 ( 4.283 -0.429 2.858) 5.167 2.189 ( 6.390 -0.594 -3.151) 7.149 2.418 ( -0.047 1.258 0.776) 1.479 2.473 ( 1.487 -2.508 -0.062) 2.917 2.536 ( 1.867 0.725 2.238) 3.004 2.555 ( 2.397 0.848 1.149) 2.790 2.584 ( 1.031 -1.127 -0.011) 1.527 2.591 ( 6.646 -0.986 -0.437) 6.733 2.814 ( 25.565 0.190 1.750) 25.625 2.859 ( 24.536 0.533 -1.054) 24.564 4.540 ( 1.314 0.484 0.059) 1.402 4.542 ( 1.254 0.413 0.034) 1.320 4.588 ( -12.798 0.059 0.670) 12.815 4.609 ( -13.389 0.156 -0.695) 13.407 4.667 ( -3.675 -0.047 0.779) 3.757 4.703 ( -2.990 0.180 -1.508) 3.353 4.752 ( -0.859 1.165 0.237) 1.467 4.767 ( -0.378 -0.909 0.470) 1.091 5.985 ( 2.312 0.335 0.045) 2.336 5.997 ( 2.054 -1.234 0.172) 2.403 6.122 ( 0.850 0.245 1.465) 1.712 6.160 ( 1.511 0.392 -1.207) 1.973 7.165 ( -4.110 0.072 0.975) 4.225 7.196 ( -4.003 0.204 -1.228) 4.192 7.839 ( 4.626 -0.243 0.220) 4.638 7.846 ( 4.202 -0.164 -0.252) 4.213 12.241 ( -0.729 -0.032 0.228) 0.764 12.246 ( -0.179 -0.019 -0.092) 0.202 12.697 ( 1.794 0.026 1.441) 2.301 12.748 ( 2.300 1.274 -1.861) 3.221 12.774 ( -0.293 -0.412 -0.133) 0.523 12.782 ( 0.273 -1.754 -0.859) 1.972 13.050 ( -0.189 4.892 1.449) 5.105 13.149 ( -0.335 -3.381 -1.393) 3.672======================= Grid point 163 (70/171) =======================q-point: ( 0.40 0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.688 ( 7.191 0.000 5.043) 8.783 0.720 ( 0.938 0.000 5.693) 5.770 0.856 ( 9.239 -0.000 -1.911) 9.435 0.857 ( 4.800 0.000 4.957) 6.900 0.998 ( -0.245 -0.000 -2.310) 2.323 1.066 ( 2.476 -0.000 -7.393) 7.797 1.371 ( 10.105 0.000 4.991) 11.270 1.443 ( 5.920 -0.000 -3.282) 6.769 1.682 ( 10.410 0.000 2.520) 10.711 1.724 ( 18.971 0.000 -2.227) 19.102 1.782 ( 5.622 0.000 6.418) 8.532 1.886 ( -4.134 -0.000 -2.646) 4.909 1.980 ( 4.071 -0.000 -5.586) 6.912 1.990 ( -0.521 -0.000 -3.530) 3.569 2.089 ( -1.867 0.000 1.173) 2.205 2.109 ( -3.066 -0.000 -1.162) 3.279 2.339 ( 9.630 0.000 2.841) 10.040 2.393 ( 6.862 -0.000 -3.335) 7.629 2.420 ( 7.072 0.000 0.211) 7.075 2.426 ( 5.029 0.000 -0.312) 5.038 2.537 ( -0.344 0.000 0.570) 0.666 2.543 ( -1.302 -0.000 -0.199) 1.318 2.719 ( -4.037 0.000 3.157) 5.125 2.733 ( -4.441 0.000 1.774) 4.782 4.519 ( 1.299 0.000 0.035) 1.299 4.520 ( 1.327 0.000 -0.050) 1.328 4.706 ( 0.202 0.000 0.955) 0.976 4.718 ( -2.327 -0.000 -0.438) 2.368 4.756 ( -4.520 -0.000 0.577) 4.557 4.769 ( -1.295 -0.000 -0.637) 1.443 4.801 ( -7.561 -0.000 0.611) 7.586 4.820 ( -5.950 -0.000 -1.292) 6.089 5.955 ( 1.582 0.000 0.578) 1.684 5.961 ( 1.287 0.000 -0.205) 1.303 6.108 ( 1.586 0.000 1.047) 1.900 6.122 ( 2.446 -0.000 -0.633) 2.526 7.253 ( -5.626 -0.000 0.823) 5.686 7.270 ( -5.164 -0.000 -1.150) 5.291 7.748 ( 5.993 0.000 0.385) 6.005 7.756 ( 5.997 0.000 -0.422) 6.011 12.251 ( -0.407 0.000 0.228) 0.467 12.255 ( -0.828 -0.000 -0.249) 0.865 12.649 ( 4.464 0.000 0.798) 4.534 12.682 ( 4.931 -0.000 -3.065) 5.806 12.760 ( 0.570 0.000 1.823) 1.910 12.789 ( -0.790 -0.000 -1.480) 1.678 13.091 ( -0.732 0.000 1.312) 1.502 13.119 ( 0.280 -0.000 -1.964) 1.984======================= Grid point 165 (71/171) =======================q-point: (-0.40 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.535 ( -0.000 9.747 -2.104) 9.972 0.535 ( -0.000 9.747 2.104) 9.972 0.650 ( -0.000 5.006 -5.106) 7.151 0.650 ( 0.000 5.006 5.106) 7.151 0.924 ( -0.000 1.403 -12.054) 12.135 0.924 ( 0.000 1.402 12.054) 12.135 1.057 ( -0.000 5.542 -14.539) 15.560 1.057 ( 0.000 5.542 14.539) 15.560 1.394 ( -0.000 1.292 -2.674) 2.970 1.394 ( 0.000 1.292 2.674) 2.970 1.907 ( -0.000 -0.890 -7.668) 7.719 1.907 ( 0.000 -0.890 7.668) 7.719 1.978 ( -0.000 -5.437 -2.295) 5.902 1.978 ( 0.000 -5.437 2.295) 5.902 2.106 ( -0.000 2.577 -1.301) 2.887 2.106 ( 0.000 2.577 1.301) 2.887 2.276 ( -0.000 1.541 -2.796) 3.192 2.276 ( 0.000 1.541 2.796) 3.192 2.348 ( -0.000 -0.394 -1.790) 1.833 2.348 ( 0.000 -0.394 1.790) 1.833 2.597 ( -0.000 1.815 -1.017) 2.081 2.597 ( 0.000 1.815 1.017) 2.081 2.895 ( -0.000 -2.903 -5.770) 6.459 2.895 ( 0.000 -2.903 5.770) 6.459 4.483 ( 0.000 -1.524 -0.005) 1.524 4.483 ( 0.000 -1.524 0.005) 1.524 4.687 ( -0.000 0.262 -2.785) 2.797 4.687 ( 0.000 0.262 2.785) 2.797 4.825 ( -0.000 -1.218 -1.471) 1.910 4.825 ( 0.000 -1.218 1.471) 1.910 4.919 ( -0.000 0.366 -0.764) 0.848 4.919 ( 0.000 0.366 0.764) 0.848 5.942 ( -0.000 -1.397 -0.489) 1.480 5.942 ( 0.000 -1.397 0.489) 1.480 6.059 ( -0.000 0.907 -0.002) 0.907 6.059 ( 0.000 0.907 0.002) 0.907 7.455 ( -0.000 -0.074 -0.090) 0.116 7.455 ( 0.000 -0.074 0.090) 0.116 7.547 ( -0.000 1.127 -0.462) 1.218 7.547 ( 0.000 1.127 0.462) 1.218 12.267 ( -0.000 -0.053 -0.629) 0.631 12.267 ( 0.000 -0.053 0.629) 0.631 12.504 ( -0.000 1.567 -2.341) 2.817 12.504 ( 0.000 1.567 2.341) 2.817 12.789 ( -0.000 1.257 -3.036) 3.286 12.789 ( 0.000 1.257 3.036) 3.286 13.104 ( 0.000 -0.871 -0.073) 0.874 13.104 ( 0.000 -0.871 0.073) 0.874======================= Grid point 172 (72/171) =======================q-point: ( 0.20 0.60 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.758 ( 1.844 0.285 6.244) 6.517 0.892 ( 1.198 3.298 -2.449) 4.279 1.033 ( -1.056 -4.052 -2.524) 4.889 1.088 ( 2.847 -2.146 -1.175) 3.753 1.279 ( -2.274 2.442 0.901) 3.456 1.327 ( 4.115 0.871 0.764) 4.275 1.385 ( -5.220 -1.262 2.305) 5.844 1.426 ( 1.606 1.961 0.811) 2.661 1.467 ( -1.426 0.718 -2.425) 2.903 1.571 ( -0.886 -0.926 -1.671) 2.106 1.776 ( -0.609 0.164 1.507) 1.634 1.825 ( 2.355 0.885 1.626) 2.995 1.907 ( 1.035 0.433 -0.358) 1.178 2.015 ( -0.356 -2.454 -3.126) 3.990 2.194 ( 1.172 0.849 1.804) 2.313 2.264 ( 0.750 -1.073 2.418) 2.750 2.383 ( -0.106 3.092 -1.482) 3.430 2.421 ( -0.863 -0.275 2.781) 2.925 2.522 ( 0.171 -0.026 -2.459) 2.465 2.545 ( -0.880 -0.933 -0.222) 1.302 2.730 ( 0.516 -0.229 0.391) 0.687 2.754 ( 0.925 -0.552 -0.076) 1.079 3.693 ( 0.586 0.027 0.015) 0.586 3.695 ( 0.257 0.018 -0.054) 0.263 4.036 ( -0.738 0.216 0.601) 0.976 4.070 ( -0.621 -0.069 -0.672) 0.918 4.541 ( -0.456 0.755 -0.016) 0.882 4.554 ( 0.328 1.339 0.153) 1.387 4.606 ( -0.341 -0.914 0.186) 0.993 4.646 ( -0.032 -1.166 -0.529) 1.281 4.724 ( -0.387 0.438 0.979) 1.140 4.772 ( -0.321 -0.213 -0.582) 0.698 6.059 ( 1.398 -0.531 0.073) 1.497 6.082 ( 1.160 -0.608 -0.345) 1.354 6.110 ( -1.182 0.438 1.498) 1.958 6.154 ( -1.019 0.643 -1.313) 1.783 7.087 ( -0.151 0.237 0.369) 0.464 7.120 ( -0.193 -0.311 -0.424) 0.560 7.921 ( 0.198 0.094 0.108) 0.244 7.933 ( 0.231 -0.138 -0.122) 0.296 12.233 ( 0.209 0.180 0.313) 0.417 12.246 ( 0.150 0.110 -0.189) 0.266 12.712 ( -0.602 -0.672 0.681) 1.130 12.755 ( -0.977 -0.911 1.027) 1.685 12.774 ( 0.487 0.188 -0.200) 0.559 12.833 ( 0.580 -1.619 -2.624) 3.137 12.980 ( -0.057 4.829 1.388) 5.024 13.168 ( -0.263 -1.817 -0.037) 1.837======================= Grid point 173 (73/171) =======================q-point: ( 0.30 0.60 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.739 ( 3.131 1.549 2.857) 4.513 0.842 ( 3.778 -0.380 -3.101) 4.903 1.003 ( 0.992 -1.588 1.509) 2.405 1.060 ( -0.984 -2.360 -1.763) 3.106 1.187 ( 9.465 1.462 0.873) 9.617 1.237 ( 7.463 -1.449 -0.664) 7.631 1.476 ( -3.784 1.441 1.955) 4.496 1.495 ( -0.985 0.767 0.499) 1.344 1.519 ( -6.075 -0.649 4.653) 7.679 1.613 ( -5.595 -0.084 -4.088) 6.930 1.818 ( -1.694 -0.056 1.792) 2.466 1.835 ( -4.068 -0.050 2.141) 4.598 1.904 ( -0.508 2.566 -3.729) 4.555 1.996 ( -1.240 -2.706 -3.106) 4.302 2.184 ( 1.826 0.297 2.555) 3.155 2.242 ( 1.775 -1.074 -0.871) 2.250 2.404 ( -0.445 2.112 0.208) 2.168 2.461 ( -1.984 -0.032 1.350) 2.400 2.516 ( -1.028 1.016 -1.355) 1.981 2.563 ( -1.575 -1.304 0.661) 2.149 2.674 ( 5.279 -1.260 1.527) 5.638 2.696 ( 4.743 -1.068 -0.940) 4.952 3.330 ( 29.637 -0.039 0.804) 29.648 3.346 ( 29.007 0.166 -0.937) 29.023 4.311 ( -18.850 0.398 0.489) 18.861 4.326 ( -18.589 0.099 -0.419) 18.594 4.553 ( 0.187 0.995 -0.015) 1.012 4.556 ( 0.850 1.169 0.031) 1.446 4.621 ( -2.190 -0.558 0.650) 2.352 4.649 ( -1.901 -0.920 -1.222) 2.440 4.738 ( -0.163 1.239 0.424) 1.320 4.773 ( -0.226 -0.707 0.161) 0.760 6.024 ( 2.154 -0.234 -0.043) 2.167 6.044 ( 1.999 -1.408 0.033) 2.446 6.133 ( -0.110 0.543 1.685) 1.774 6.163 ( 0.062 0.781 -1.643) 1.820 7.113 ( -2.284 0.291 0.794) 2.435 7.136 ( -2.179 -0.069 -0.887) 2.354 7.900 ( 2.296 -0.002 -0.032) 2.296 7.906 ( 2.588 -0.366 0.000) 2.614 12.236 ( -0.206 -0.028 0.485) 0.528 12.244 ( 0.028 0.026 -0.340) 0.342 12.719 ( 0.120 0.035 1.187) 1.193 12.760 ( 1.280 1.432 -1.449) 2.406 12.768 ( -0.916 -1.828 1.419) 2.489 12.801 ( 0.671 -1.489 -1.991) 2.575 13.020 ( 0.268 5.160 1.168) 5.297 13.159 ( -0.540 -2.598 -0.479) 2.697======================= Grid point 174 (74/171) =======================q-point: ( 0.40 0.60 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.719 ( 1.396 3.356 0.472) 3.666 0.776 ( 0.982 -3.887 0.394) 4.029 0.971 ( 4.830 -0.308 3.748) 6.122 1.003 ( 7.266 -0.508 -2.745) 7.784 1.056 ( 4.953 0.431 0.692) 5.019 1.096 ( 4.832 -2.964 -2.072) 6.035 1.485 ( 3.135 0.669 2.263) 3.923 1.500 ( 2.191 0.420 -0.763) 2.358 1.652 ( -6.502 -0.165 6.079) 8.903 1.706 ( -6.825 0.076 -6.081) 9.142 1.863 ( -1.475 0.884 2.067) 2.689 1.892 ( -1.130 0.060 -2.657) 2.888 1.966 ( -4.842 1.169 1.454) 5.189 2.001 ( -2.793 -1.420 -2.800) 4.202 2.138 ( 5.996 -0.536 2.865) 6.667 2.164 ( 6.069 -0.628 -2.819) 6.721 2.423 ( 0.697 2.351 0.308) 2.471 2.472 ( 0.133 -3.517 -0.141) 3.522 2.552 ( 3.337 1.041 1.186) 3.692 2.564 ( 0.379 1.320 0.643) 1.516 2.580 ( 5.079 -1.537 -0.497) 5.330 2.589 ( 4.676 -1.381 -0.228) 4.881 2.828 ( 25.284 0.814 1.433) 25.338 2.849 ( 23.272 -0.053 -1.142) 23.300 4.541 ( 1.420 0.565 0.021) 1.528 4.543 ( 1.199 0.347 0.014) 1.249 4.594 ( -12.829 0.138 0.794) 12.855 4.602 ( -12.951 0.073 -0.854) 12.979 4.677 ( -3.953 0.017 1.364) 4.182 4.689 ( -3.717 0.101 -1.565) 4.035 4.753 ( -0.464 1.283 0.081) 1.366 4.770 ( -0.146 -0.993 0.164) 1.017 5.986 ( 2.239 0.412 0.016) 2.277 5.998 ( 2.048 -1.279 0.060) 2.415 6.135 ( 1.048 0.380 1.473) 1.847 6.149 ( 1.198 0.261 -1.370) 1.838 7.174 ( -4.083 0.160 1.120) 4.237 7.185 ( -3.972 0.105 -1.217) 4.156 7.841 ( 4.524 -0.207 0.242) 4.535 7.844 ( 4.293 -0.210 -0.254) 4.305 12.243 ( -0.475 0.014 0.175) 0.506 12.245 ( -0.390 -0.069 -0.122) 0.415 12.711 ( 2.111 0.392 1.816) 2.812 12.730 ( 2.448 0.644 -2.100) 3.289 12.774 ( 0.004 -0.457 -0.002) 0.457 12.777 ( -0.264 -1.403 -0.249) 1.449 13.060 ( 0.122 5.560 0.665) 5.601 13.139 ( -0.291 -4.146 -0.642) 4.205======================= Grid point 175 (75/171) =======================q-point: ( 0.50 0.60 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.726 ( 3.942 -1.695 -0.000) 4.291 0.726 ( 3.942 1.695 0.000) 4.291 0.866 ( 4.754 -0.118 -0.000) 4.756 0.866 ( 4.754 0.118 0.000) 4.756 1.009 ( 3.044 -0.135 0.000) 3.047 1.009 ( 3.044 0.135 0.000) 3.047 1.411 ( 8.229 -0.553 -0.000) 8.248 1.411 ( 8.229 0.553 0.000) 8.248 1.703 ( 14.557 -0.283 -0.000) 14.560 1.703 ( 14.557 0.283 -0.000) 14.560 1.840 ( 1.747 -0.035 -0.000) 1.747 1.840 ( 1.747 0.035 0.000) 1.747 1.967 ( 0.927 -3.930 -0.000) 4.038 1.967 ( 0.927 3.930 0.000) 4.038 2.099 ( -2.275 -1.258 0.000) 2.599 2.099 ( -2.275 1.258 0.000) 2.599 2.365 ( 8.309 -0.885 -0.000) 8.356 2.365 ( 8.309 0.885 0.000) 8.356 2.423 ( 5.990 -1.196 -0.000) 6.108 2.423 ( 5.990 1.196 -0.000) 6.108 2.541 ( -0.923 -0.471 0.000) 1.037 2.541 ( -0.923 0.471 0.000) 1.037 2.737 ( -4.511 -2.324 0.000) 5.074 2.737 ( -4.511 2.324 0.000) 5.074 4.519 ( 1.326 -0.255 -0.000) 1.350 4.519 ( 1.326 0.255 -0.000) 1.350 4.713 ( -1.265 -0.105 0.000) 1.270 4.713 ( -1.265 0.105 0.000) 1.270 4.762 ( -2.861 -0.450 0.000) 2.896 4.762 ( -2.861 0.450 0.000) 2.896 4.809 ( -6.557 -0.117 0.000) 6.558 4.809 ( -6.557 0.117 0.000) 6.558 5.959 ( 1.405 -1.034 -0.000) 1.744 5.959 ( 1.405 1.034 -0.000) 1.744 6.116 ( 2.003 -0.285 -0.000) 2.023 6.116 ( 2.003 0.285 0.000) 2.023 7.261 ( -5.383 -0.014 0.000) 5.383 7.261 ( -5.383 0.014 0.000) 5.383 7.752 ( 6.002 -0.292 -0.000) 6.009 7.752 ( 6.002 0.292 -0.000) 6.009 12.253 ( -0.599 -0.094 0.000) 0.607 12.253 ( -0.599 0.094 0.000) 0.607 12.661 ( 4.936 -0.139 -0.000) 4.938 12.661 ( 4.936 0.139 0.000) 4.938 12.775 ( -0.182 -0.060 -0.000) 0.192 12.775 ( -0.182 0.060 0.000) 0.192 13.104 ( -0.180 -4.930 -0.000) 4.933 13.104 ( -0.180 4.930 0.000) 4.933======================= Grid point 183 (76/171) =======================q-point: ( 0.20 -0.30 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.794 ( 1.477 3.894 4.356) 6.027 0.877 ( -0.611 0.710 -0.580) 1.102 1.032 ( -2.183 -3.778 0.791) 4.434 1.122 ( -5.053 0.828 -2.394) 5.653 1.163 ( 0.073 3.645 0.529) 3.684 1.304 ( -4.925 -0.090 1.925) 5.289 1.355 ( -1.309 0.083 -3.226) 3.483 1.423 ( 0.198 -1.972 -1.774) 2.659 1.501 ( 5.763 3.631 -0.932) 6.874 1.600 ( 3.270 -0.621 -1.169) 3.528 1.811 ( 3.427 0.123 3.188) 4.682 1.862 ( 3.266 0.808 -1.211) 3.576 1.961 ( 1.942 -1.488 3.451) 4.230 2.027 ( 2.398 -1.496 -3.269) 4.322 2.209 ( 1.115 3.126 1.634) 3.699 2.307 ( 1.800 -1.303 2.975) 3.713 2.362 ( 0.572 1.435 -0.775) 1.729 2.431 ( 0.699 0.255 1.247) 1.452 2.514 ( -0.503 -1.025 -0.874) 1.438 2.538 ( 0.177 -0.211 -2.476) 2.492 2.685 ( -4.879 1.226 -0.297) 5.039 2.736 ( -3.269 0.360 0.183) 3.294 3.331 ( -29.701 0.540 0.020) 29.706 3.348 ( -29.526 -0.269 -0.038) 29.527 4.297 ( 18.657 -0.113 0.164) 18.658 4.314 ( 17.971 -0.512 -0.305) 17.981 4.530 ( -0.710 -0.037 -0.044) 0.713 4.554 ( 0.105 0.536 0.300) 0.623 4.617 ( 1.257 -0.608 0.057) 1.397 4.666 ( 1.580 -1.148 -0.080) 1.955 4.723 ( -0.207 -0.061 1.421) 1.438 4.760 ( -0.688 -0.106 -1.398) 1.562 6.063 ( -1.798 1.121 1.093) 2.385 6.082 ( -1.714 1.221 -0.335) 2.131 6.087 ( 0.384 -0.144 -0.812) 0.910 6.141 ( -0.572 -1.829 -0.004) 1.916 7.102 ( 1.981 0.254 -0.029) 1.997 7.138 ( 1.909 -0.737 0.052) 2.047 7.907 ( -1.811 0.224 0.131) 1.829 7.915 ( -2.241 0.224 -0.117) 2.256 12.237 ( 0.457 0.510 -0.037) 0.685 12.248 ( 0.075 0.102 0.013) 0.127 12.710 ( -0.790 -1.298 0.795) 1.714 12.734 ( -1.612 0.011 -0.728) 1.769 12.792 ( 0.339 -1.009 2.396) 2.622 12.843 ( 0.523 -1.889 -3.113) 3.679 12.943 ( -0.626 4.702 0.725) 4.798 13.183 ( 0.467 -1.546 0.258) 1.635======================= Grid point 184 (77/171) =======================q-point: ( 0.30 0.70 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.801 ( 3.994 5.001 3.229) 7.168 0.874 ( 1.251 0.046 -1.559) 1.999 1.015 ( -1.292 -5.175 -1.220) 5.472 1.083 ( 1.710 -2.542 -0.288) 3.077 1.285 ( -1.283 2.807 0.372) 3.109 1.332 ( 3.492 0.763 0.318) 3.588 1.407 ( -4.154 -0.505 2.499) 4.874 1.432 ( -2.482 1.547 0.082) 2.926 1.441 ( -1.208 1.789 -2.618) 3.393 1.559 ( -0.275 -1.791 -0.961) 2.051 1.799 ( 0.183 0.581 3.305) 3.361 1.825 ( 0.678 1.053 -1.860) 2.242 1.912 ( 3.440 -0.284 1.145) 3.637 1.989 ( -0.649 -2.443 -2.347) 3.449 2.205 ( 1.334 1.682 0.689) 2.255 2.281 ( 1.397 -1.934 1.126) 2.638 2.372 ( -0.011 4.276 -0.802) 4.350 2.446 ( -0.864 -0.231 2.563) 2.714 2.497 ( 0.180 -0.053 -2.602) 2.609 2.546 ( -1.775 -1.549 0.145) 2.360 2.733 ( 0.069 -0.022 0.182) 0.196 2.754 ( 1.258 -0.648 -0.058) 1.416 3.693 ( 0.333 0.041 0.010) 0.336 3.694 ( 0.548 -0.010 -0.025) 0.549 4.041 ( -0.601 0.553 0.333) 0.882 4.065 ( -0.825 -0.431 -0.362) 0.999 4.541 ( -0.445 0.793 0.003) 0.909 4.555 ( 0.428 1.365 0.059) 1.432 4.607 ( -0.434 -0.841 0.096) 0.951 4.643 ( 0.132 -1.329 -0.238) 1.357 4.731 ( 0.028 0.871 0.460) 0.985 4.768 ( -0.842 -0.554 -0.306) 1.053 6.059 ( 1.567 -0.501 0.055) 1.646 6.079 ( 0.972 -0.544 -0.152) 1.124 6.122 ( -1.468 0.921 1.121) 2.064 6.143 ( -0.737 0.035 -1.058) 1.290 7.090 ( -0.263 0.450 0.170) 0.548 7.117 ( -0.063 -0.543 -0.191) 0.579 7.922 ( 0.272 0.155 0.047) 0.317 7.932 ( 0.171 -0.205 -0.053) 0.272 12.235 ( 0.110 0.350 0.154) 0.398 12.245 ( 0.220 -0.017 -0.107) 0.245 12.717 ( -0.651 -0.654 0.385) 1.000 12.755 ( -0.317 1.234 -0.429) 1.344 12.785 ( -0.033 -2.554 2.015) 3.253 12.811 ( 0.562 -0.958 -2.368) 2.616 12.988 ( -0.157 4.881 0.511) 4.910 13.168 ( -0.108 -1.867 -0.024) 1.870======================= Grid point 185 (78/171) =======================q-point: ( 0.40 0.70 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( 5.106 3.542 -0.000) 6.215 0.827 ( 2.223 -2.197 -0.000) 3.125 1.012 ( -0.561 -1.137 -0.000) 1.268 1.050 ( 0.183 -2.721 -0.000) 2.728 1.191 ( 9.639 1.588 -0.000) 9.768 1.234 ( 7.293 -1.635 -0.000) 7.474 1.488 ( -2.050 1.435 0.000) 2.503 1.494 ( -3.015 0.658 0.000) 3.086 1.550 ( -7.455 1.012 0.000) 7.524 1.584 ( -4.519 -1.684 0.000) 4.822 1.830 ( -2.945 0.055 0.000) 2.945 1.847 ( -2.140 -0.579 0.000) 2.217 1.884 ( -0.437 3.062 0.000) 3.093 1.980 ( -1.138 -2.668 -0.000) 2.900 2.196 ( 1.434 1.094 -0.000) 1.804 2.236 ( 2.535 -1.846 -0.000) 3.136 2.405 ( -0.411 3.023 0.000) 3.051 2.467 ( -1.498 -1.409 0.000) 2.057 2.509 ( -1.834 1.799 0.000) 2.569 2.566 ( -1.665 -1.472 0.000) 2.222 2.686 ( 5.352 -1.214 -0.000) 5.488 2.687 ( 4.576 -1.096 -0.000) 4.706 3.336 ( 29.293 0.226 -0.000) 29.294 3.340 ( 29.362 -0.114 -0.000) 29.363 4.314 ( -18.843 0.582 0.000) 18.852 4.324 ( -18.632 -0.100 0.000) 18.632 4.553 ( 0.195 1.050 0.000) 1.068 4.556 ( 0.870 1.181 -0.000) 1.467 4.624 ( -2.394 -0.329 0.000) 2.416 4.643 ( -1.620 -1.202 0.000) 2.017 4.740 ( -0.028 1.382 0.000) 1.382 4.774 ( -0.416 -0.825 -0.000) 0.924 6.024 ( 2.179 -0.188 -0.000) 2.187 6.044 ( 1.948 -1.425 -0.000) 2.413 6.148 ( 0.196 0.627 0.000) 0.657 6.148 ( -0.268 0.667 0.000) 0.719 7.117 ( -2.406 0.549 0.000) 2.468 7.131 ( -2.044 -0.333 0.000) 2.071 7.900 ( 2.322 0.006 -0.000) 2.322 7.906 ( 2.563 -0.377 -0.000) 2.590 12.239 ( -0.225 0.089 0.000) 0.242 12.241 ( 0.050 -0.081 -0.000) 0.095 12.725 ( -0.199 0.252 0.000) 0.321 12.752 ( 1.555 1.209 -0.000) 1.970 12.779 ( -1.057 -2.862 -0.000) 3.051 12.789 ( 0.893 -0.405 -0.000) 0.981 13.025 ( 0.286 5.273 0.000) 5.280 13.156 ( -0.458 -2.739 -0.000) 2.778======================= Grid point 194 (79/171) =======================q-point: ( 0.20 -0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.793 ( -2.944 3.639 4.333) 6.378 0.828 ( -0.622 4.709 -3.490) 5.894 0.924 ( -8.767 5.016 -0.714) 10.126 1.041 ( -1.120 -1.383 0.435) 1.831 1.180 ( -0.134 2.881 1.237) 3.138 1.253 ( -0.767 0.761 1.801) 2.101 1.294 ( -2.888 0.882 -4.060) 5.060 1.446 ( 0.155 -2.804 -0.482) 2.849 1.560 ( 4.249 2.410 -0.413) 4.902 1.673 ( 4.446 -2.477 -0.767) 5.147 1.903 ( 2.818 0.068 1.229) 3.075 1.913 ( 3.883 -1.398 0.441) 4.150 1.992 ( 0.568 -2.752 -0.049) 2.810 2.086 ( 2.620 1.772 -0.258) 3.173 2.180 ( -1.725 5.728 0.859) 6.043 2.351 ( -3.817 -5.150 -0.385) 6.422 2.375 ( 2.550 2.484 5.971) 6.951 2.433 ( 1.246 1.728 -4.366) 4.858 2.519 ( -0.306 -0.682 -0.282) 0.799 2.534 ( -1.738 1.775 -0.976) 2.669 2.576 ( -2.768 -0.533 -0.191) 2.825 2.645 ( -6.551 1.437 0.109) 6.708 2.813 ( -26.387 0.799 -0.044) 26.399 2.818 ( -30.467 -1.085 -0.196) 30.487 4.512 ( -1.453 -0.841 -0.035) 1.680 4.531 ( 0.235 -0.035 0.064) 0.246 4.576 ( 12.917 -0.165 -0.048) 12.918 4.595 ( 10.565 -1.041 -0.075) 10.617 4.659 ( 2.594 -0.564 0.054) 2.655 4.719 ( 3.123 -1.348 0.014) 3.402 4.730 ( 0.517 -0.184 1.877) 1.955 4.748 ( 0.766 -0.123 -1.767) 1.930 6.009 ( -3.455 1.128 0.394) 3.656 6.034 ( -1.982 1.517 -0.391) 2.526 6.092 ( -0.093 -0.134 -0.123) 0.205 6.141 ( -1.359 -1.689 0.064) 2.169 7.152 ( 4.150 0.150 -0.085) 4.154 7.194 ( 3.726 -0.987 0.140) 3.857 7.854 ( -4.320 0.695 -0.009) 4.376 7.856 ( -3.924 0.308 -0.002) 3.936 12.243 ( 0.758 0.338 0.007) 0.830 12.247 ( -0.000 0.111 -0.062) 0.127 12.691 ( -2.683 -0.177 0.086) 2.690 12.717 ( -0.881 -2.056 0.078) 2.238 12.802 ( -1.007 0.552 1.156) 1.629 12.862 ( 0.934 -3.413 -1.271) 3.760 12.903 ( 0.072 4.366 0.051) 4.367 13.206 ( 0.781 -1.286 0.251) 1.525======================= Grid point 195 (80/171) =======================q-point: ( 0.30 -0.20 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.813 ( 2.711 6.672 0.000) 7.202 0.874 ( -1.779 -1.003 0.000) 2.042 1.038 ( -1.136 -5.300 -0.000) 5.421 1.109 ( -5.616 1.242 0.000) 5.752 1.165 ( -0.147 3.972 0.000) 3.974 1.318 ( -5.627 -1.104 0.000) 5.734 1.335 ( -1.646 1.421 0.000) 2.175 1.414 ( 0.415 -2.377 -0.000) 2.413 1.497 ( 6.117 3.939 -0.000) 7.276 1.595 ( 3.136 -0.543 -0.000) 3.183 1.833 ( 2.918 0.142 -0.000) 2.921 1.849 ( 3.770 0.463 -0.000) 3.799 1.985 ( -1.103 -2.608 -0.000) 2.832 2.003 ( 5.582 -0.432 -0.000) 5.598 2.216 ( 1.433 3.474 0.000) 3.758 2.324 ( 1.113 -2.971 -0.000) 3.173 2.354 ( 2.267 3.615 0.000) 4.267 2.441 ( -0.671 0.459 0.000) 0.813 2.505 ( 1.207 -0.709 -0.000) 1.400 2.529 ( -1.415 -1.238 0.000) 1.880 2.684 ( -4.938 1.313 0.000) 5.110 2.737 ( -3.265 0.369 0.000) 3.286 3.332 ( -29.671 0.599 0.000) 29.677 3.348 ( -29.575 -0.350 0.000) 29.577 4.298 ( 18.625 -0.002 -0.000) 18.625 4.313 ( 17.968 -0.619 -0.000) 17.979 4.530 ( -0.720 -0.043 0.000) 0.722 4.555 ( 0.127 0.538 0.000) 0.553 4.617 ( 1.287 -0.573 -0.000) 1.409 4.666 ( 1.616 -1.224 -0.000) 2.027 4.731 ( 0.381 0.338 -0.000) 0.509 4.752 ( -1.295 -0.432 0.000) 1.366 6.073 ( -1.128 1.425 0.000) 1.818 6.074 ( -2.375 1.045 0.000) 2.595 6.086 ( 0.293 -0.102 -0.000) 0.311 6.141 ( -0.491 -2.005 -0.000) 2.064 7.101 ( 1.948 0.315 -0.000) 1.973 7.138 ( 1.955 -0.810 -0.000) 2.116 7.907 ( -1.802 0.249 0.000) 1.819 7.914 ( -2.250 0.198 0.000) 2.258 12.236 ( 0.428 0.547 -0.000) 0.695 12.248 ( 0.083 0.084 -0.000) 0.118 12.715 ( -0.656 -1.603 -0.000) 1.732 12.730 ( -1.609 0.605 0.000) 1.719 12.813 ( 0.382 0.403 -0.000) 0.556 12.819 ( 0.407 -3.558 -0.000) 3.581 12.946 ( -0.691 4.698 0.000) 4.749 13.184 ( 0.531 -1.540 -0.000) 1.629======================= Grid point 204 (81/171) =======================q-point: ( 0.20 -0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.618 ( -9.534 9.550 0.000) 13.494 0.753 ( -7.446 4.260 0.000) 8.578 0.758 ( -4.274 9.044 0.000) 10.003 1.067 ( 3.114 -1.484 -0.000) 3.450 1.106 ( -4.635 4.815 0.000) 6.683 1.212 ( -4.676 2.452 0.000) 5.280 1.270 ( 1.830 1.618 -0.000) 2.443 1.451 ( -2.575 -2.061 0.000) 3.298 1.605 ( 0.070 -0.534 -0.000) 0.539 1.707 ( -10.394 0.816 0.000) 10.426 1.843 ( -1.383 -1.019 0.000) 1.718 1.864 ( -24.322 4.300 0.000) 24.699 2.041 ( 1.280 -2.668 -0.000) 2.959 2.044 ( 5.071 -3.542 -0.000) 6.186 2.097 ( -1.180 3.101 0.000) 3.318 2.299 ( 0.181 -1.948 -0.000) 1.957 2.338 ( -10.645 2.311 0.000) 10.893 2.429 ( -10.254 -1.359 0.000) 10.344 2.433 ( -0.272 -1.605 -0.000) 1.627 2.474 ( 1.423 0.790 -0.000) 1.627 2.503 ( -3.501 1.338 0.000) 3.748 2.522 ( -1.478 0.264 0.000) 1.502 2.584 ( -3.569 0.301 0.000) 3.582 2.670 ( 8.679 2.487 -0.000) 9.028 4.492 ( -1.683 -1.581 0.000) 2.310 4.511 ( -1.736 -0.764 0.000) 1.897 4.669 ( -1.686 -0.473 0.000) 1.752 4.720 ( 3.673 -0.504 -0.000) 3.707 4.736 ( 4.897 -0.865 -0.000) 4.973 4.756 ( 2.130 -0.194 -0.000) 2.139 4.809 ( 6.795 -0.248 -0.000) 6.800 4.822 ( 5.600 -1.415 -0.000) 5.777 5.944 ( -3.268 0.610 0.000) 3.325 5.992 ( -1.743 0.867 0.000) 1.947 6.085 ( -0.601 0.287 0.000) 0.666 6.119 ( -2.133 -0.632 0.000) 2.224 7.240 ( 6.128 0.074 -0.000) 6.129 7.277 ( 4.945 -1.044 -0.000) 5.054 7.760 ( -5.863 0.963 0.000) 5.942 7.769 ( -5.947 0.318 0.000) 5.955 12.246 ( 0.109 0.016 -0.000) 0.110 12.259 ( 1.048 -0.080 -0.000) 1.051 12.639 ( -4.049 -1.369 0.000) 4.274 12.711 ( -1.796 -0.807 0.000) 1.969 12.762 ( -2.350 0.410 0.000) 2.385 12.885 ( 1.196 3.656 0.000) 3.847 12.916 ( 2.270 -3.918 -0.000) 4.528 13.224 ( 0.004 -1.004 -0.000) 1.004======================= Grid point 214 (82/171) =======================q-point: ( 0.20 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.366 ( 0.000 14.100 0.000) 14.100 0.476 ( 0.000 14.152 0.000) 14.152 0.596 ( 0.000 7.785 0.000) 7.785 0.793 ( 0.000 24.075 0.000) 24.075 0.941 ( 0.000 5.784 0.000) 5.784 1.063 ( 0.000 11.893 0.000) 11.893 1.193 ( -0.000 -4.503 -0.000) 4.503 1.309 ( 0.000 2.202 0.000) 2.202 1.338 ( -0.000 -1.149 -0.000) 1.149 1.500 ( -0.000 -0.227 -0.000) 0.227 1.713 ( -0.000 -1.885 -0.000) 1.885 1.801 ( -0.000 -6.785 -0.000) 6.785 2.085 ( -0.000 -3.115 -0.000) 3.115 2.121 ( 0.000 4.709 0.000) 4.709 2.144 ( 0.000 1.366 0.000) 1.366 2.168 ( -0.000 -3.660 -0.000) 3.660 2.291 ( 0.000 1.069 0.000) 1.069 2.342 ( -0.000 -3.063 -0.000) 3.063 2.399 ( 0.000 1.480 0.000) 1.480 2.426 ( 0.000 1.980 0.000) 1.980 2.522 ( -0.000 -0.520 -0.000) 0.520 2.524 ( -0.000 -0.533 -0.000) 0.533 2.583 ( -0.000 -1.068 -0.000) 1.068 3.034 ( -0.000 -4.918 -0.000) 4.918 4.452 ( -0.000 -2.642 -0.000) 2.642 4.457 ( -0.000 -2.439 -0.000) 2.439 4.625 ( 0.000 0.819 0.000) 0.819 4.768 ( -0.000 -0.679 -0.000) 0.679 4.791 ( -0.000 -0.120 -0.000) 0.120 4.837 ( -0.000 -2.222 -0.000) 2.222 4.898 ( 0.000 0.772 0.000) 0.772 4.929 ( -0.000 -0.296 -0.000) 0.296 5.877 ( -0.000 -0.153 -0.000) 0.153 5.936 ( -0.000 -1.244 -0.000) 1.244 6.071 ( 0.000 0.768 0.000) 0.768 6.093 ( 0.000 0.256 0.000) 0.256 7.451 ( 0.000 0.029 0.000) 0.029 7.455 ( -0.000 -0.056 -0.000) 0.056 7.549 ( 0.000 1.430 0.000) 1.430 7.557 ( 0.000 0.490 0.000) 0.490 12.253 ( -0.000 -0.031 -0.000) 0.031 12.283 ( -0.000 -0.474 -0.000) 0.474 12.477 ( 0.000 1.804 0.000) 1.804 12.650 ( 0.000 2.805 0.000) 2.805 12.726 ( -0.000 -2.177 -0.000) 2.177 12.913 ( 0.000 3.656 0.000) 3.656 13.051 ( -0.000 -4.000 -0.000) 4.000 13.133 ( -0.000 -0.232 -0.000) 0.232======================= Grid point 215 (83/171) =======================q-point: ( 0.30 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.557 ( -7.419 12.159 1.963) 14.378 0.696 ( -4.156 6.890 1.025) 8.111 0.738 ( -9.826 10.836 1.518) 14.706 1.035 ( -5.008 7.225 -0.543) 8.808 1.084 ( -5.832 8.069 -1.099) 10.017 1.175 ( -2.656 0.674 -0.011) 2.740 1.294 ( -5.837 3.299 -1.371) 6.844 1.341 ( -13.721 4.548 -0.936) 14.485 1.362 ( -7.600 2.167 1.762) 8.097 1.538 ( -6.025 0.384 0.490) 6.057 1.694 ( -0.182 -1.486 0.572) 1.603 1.782 ( -2.545 -7.553 0.752) 8.006 2.027 ( 1.678 -2.419 -1.791) 3.446 2.098 ( 3.971 -4.029 -0.974) 5.741 2.136 ( 2.002 2.274 0.193) 3.036 2.204 ( -4.957 1.914 -0.423) 5.330 2.316 ( 1.053 -2.562 0.145) 2.774 2.332 ( -3.378 1.696 0.132) 3.783 2.406 ( 0.046 1.045 -2.822) 3.010 2.453 ( -2.196 2.485 -4.173) 5.330 2.516 ( 0.269 -0.149 1.712) 1.740 2.530 ( -0.263 -0.542 4.109) 4.153 2.568 ( 1.105 -1.654 3.097) 3.681 2.868 ( 11.466 -1.700 -1.021) 11.636 4.450 ( -1.360 -2.276 -0.004) 2.651 4.461 ( -2.578 -2.395 -0.086) 3.520 4.643 ( -1.149 0.680 0.277) 1.364 4.754 ( 0.832 -0.896 -0.693) 1.406 4.770 ( 2.059 -0.232 0.505) 2.133 4.801 ( 2.196 -1.676 -0.158) 2.767 4.886 ( 2.611 -0.090 -0.258) 2.625 4.898 ( 3.456 -0.568 0.224) 3.509 5.897 ( -2.277 0.102 0.110) 2.282 5.953 ( -2.514 -1.075 -0.004) 2.734 6.080 ( -0.334 0.674 -0.171) 0.772 6.097 ( -0.477 0.416 0.098) 0.641 7.357 ( 7.307 0.081 -0.001) 7.307 7.366 ( 6.136 -0.254 -0.016) 6.142 7.653 ( -7.110 0.802 -0.439) 7.169 7.659 ( -7.188 0.518 0.629) 7.234 12.250 ( 0.271 0.025 0.035) 0.274 12.272 ( 0.696 -0.393 -0.021) 0.800 12.544 ( -4.955 -0.069 0.046) 4.955 12.680 ( -1.209 0.293 -0.932) 1.554 12.728 ( -1.789 0.182 0.424) 1.847 12.928 ( 1.280 3.050 -2.029) 3.881 12.962 ( 4.145 -1.564 1.987) 4.855 13.181 ( -3.201 -2.384 -0.412) 4.012======================= Grid point 216 (84/171) =======================q-point: ( 0.40 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.746 ( -4.255 7.444 -1.998) 8.804 0.837 ( -6.386 5.733 2.549) 8.952 0.892 ( -0.369 6.695 2.180) 7.051 1.025 ( 0.590 -1.323 -2.538) 2.922 1.185 ( -0.668 5.150 0.309) 5.203 1.266 ( -2.792 1.747 1.179) 3.498 1.288 ( 1.623 2.834 -0.763) 3.353 1.420 ( -1.013 -2.011 0.526) 2.312 1.611 ( -0.596 0.572 0.353) 0.898 1.704 ( -0.483 -1.671 2.877) 3.362 1.845 ( -10.316 0.993 -0.388) 10.371 1.922 ( -25.148 3.001 0.069) 25.327 1.979 ( 3.812 -3.183 -1.884) 5.311 2.008 ( 0.418 -1.739 -0.404) 1.834 2.160 ( -4.113 5.444 -0.408) 6.835 2.256 ( 2.770 -3.895 0.984) 4.879 2.325 ( -13.290 -3.748 -1.163) 13.857 2.377 ( 0.255 1.570 -7.220) 7.394 2.440 ( -5.206 2.263 0.431) 5.693 2.487 ( -1.481 1.025 -0.073) 1.803 2.538 ( -2.870 0.743 0.218) 2.973 2.562 ( 0.928 -0.045 5.989) 6.061 2.579 ( -5.245 -0.885 1.684) 5.579 2.680 ( 7.650 -0.566 -0.821) 7.715 4.470 ( -2.362 -1.269 0.057) 2.682 4.494 ( -2.822 -1.316 -0.212) 3.121 4.666 ( -0.642 -0.027 0.023) 0.643 4.711 ( 3.330 -0.358 -0.618) 3.406 4.725 ( 4.204 -0.971 0.691) 4.369 4.752 ( 2.097 -0.516 0.183) 2.168 4.801 ( 6.091 -1.000 -0.206) 6.176 4.804 ( 6.537 -0.422 -0.177) 6.553 5.952 ( -3.639 0.585 -0.344) 3.702 5.998 ( -3.170 -0.104 0.347) 3.191 6.089 ( -0.334 0.281 -0.298) 0.529 6.112 ( -0.903 -0.336 0.292) 1.007 7.242 ( 6.077 0.123 0.077) 6.079 7.263 ( 5.262 -0.739 -0.193) 5.317 7.771 ( -5.993 0.660 -0.270) 6.035 7.777 ( -5.687 0.507 0.410) 5.724 12.247 ( 0.090 0.094 -0.085) 0.156 12.259 ( 0.645 -0.008 0.209) 0.678 12.621 ( -4.291 -0.823 0.002) 4.369 12.683 ( -0.958 -1.951 -0.758) 2.301 12.776 ( -1.964 1.203 -0.944) 2.489 12.881 ( 2.191 -0.914 0.876) 2.530 12.948 ( 1.250 3.988 0.499) 4.209 13.190 ( -0.732 -2.914 -0.618) 3.067======================= Grid point 217 (85/171) =======================q-point: ( 0.50 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.788 ( 0.149 2.239 -7.157) 7.500 0.906 ( 1.288 1.982 -0.327) 2.386 0.980 ( -2.818 1.812 1.271) 3.583 1.048 ( -4.416 2.562 2.488) 5.679 1.213 ( 0.948 3.435 -2.258) 4.218 1.258 ( 0.305 -0.506 1.169) 1.310 1.338 ( -1.941 0.876 3.694) 4.264 1.412 ( -0.242 -2.984 2.404) 3.840 1.596 ( 2.498 1.562 -0.264) 2.958 1.674 ( 3.756 0.643 2.695) 4.667 1.872 ( 4.391 -0.567 -1.667) 4.731 1.919 ( -0.371 0.758 -0.982) 1.295 1.958 ( 3.087 -0.847 0.064) 3.201 2.103 ( 5.430 -0.092 0.076) 5.431 2.235 ( 0.209 3.563 -3.017) 4.673 2.279 ( -4.633 -4.457 0.426) 6.443 2.352 ( -0.619 2.021 -5.904) 6.271 2.478 ( 2.841 -1.797 0.468) 3.394 2.487 ( -1.010 -1.221 0.095) 1.588 2.567 ( -0.996 0.259 4.871) 4.978 2.596 ( -6.495 2.373 0.271) 6.920 2.659 ( -5.649 0.459 -0.173) 5.671 2.814 ( -27.825 0.077 0.104) 27.826 2.826 ( -27.781 0.484 0.561) 27.791 4.506 ( -2.104 -0.016 0.121) 2.108 4.529 ( -1.319 -0.109 -0.244) 1.346 4.573 ( 12.952 -0.299 -0.036) 12.955 4.583 ( 11.554 -0.629 0.449) 11.580 4.651 ( 2.786 -0.470 -0.241) 2.836 4.696 ( 3.031 -1.575 0.093) 3.417 4.708 ( 0.505 -0.304 -2.188) 2.266 4.763 ( 0.157 -0.006 1.742) 1.749 6.018 ( -3.508 0.774 -1.047) 3.742 6.059 ( -2.960 0.979 0.947) 3.258 6.091 ( -0.018 -0.222 -0.135) 0.260 6.119 ( -0.361 -1.110 0.247) 1.193 7.156 ( 4.116 0.187 0.068) 4.121 7.179 ( 3.631 -0.762 -0.157) 3.713 7.861 ( -3.717 0.303 0.003) 3.729 7.862 ( -4.156 0.423 0.012) 4.177 12.248 ( 0.041 0.270 -0.058) 0.279 12.251 ( 0.476 0.270 0.192) 0.580 12.672 ( -2.303 -1.613 -0.804) 2.924 12.690 ( -2.002 -1.485 -0.038) 2.493 12.785 ( -0.060 -0.000 -2.043) 2.044 12.864 ( 1.116 -0.159 3.376) 3.559 12.971 ( 0.006 5.003 -0.601) 5.039 13.169 ( 0.053 -3.100 -0.680) 3.174======================= Grid point 218 (86/171) =======================q-point: ( 0.60 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.738 ( 1.548 -0.678 -10.063) 10.203 0.907 ( -1.715 0.638 -1.010) 2.090 1.022 ( -0.163 1.096 4.207) 4.351 1.139 ( 0.196 -1.415 4.009) 4.256 1.208 ( -2.359 3.535 -2.357) 4.860 1.279 ( -2.965 -1.331 -1.639) 3.640 1.392 ( -0.836 0.895 3.366) 3.582 1.418 ( -1.089 -1.304 2.846) 3.314 1.552 ( 4.554 2.123 0.898) 5.104 1.595 ( 4.724 -0.848 -0.712) 4.852 1.809 ( 3.617 1.641 0.209) 3.977 1.891 ( 3.996 1.916 -1.001) 4.543 1.916 ( 0.732 -0.766 -1.219) 1.615 2.015 ( 2.080 -2.943 1.683) 3.977 2.215 ( 1.696 1.040 -3.719) 4.218 2.256 ( 0.956 -1.757 -3.410) 3.954 2.375 ( -1.899 1.697 -2.862) 3.830 2.428 ( 1.393 -0.830 0.449) 1.682 2.504 ( -0.965 -0.400 0.973) 1.428 2.576 ( 1.675 0.533 4.444) 4.779 2.703 ( -3.727 0.931 0.044) 3.842 2.732 ( -2.957 -0.493 -0.377) 3.022 3.335 ( -29.835 0.184 -0.240) 29.837 3.350 ( -29.229 0.172 0.362) 29.232 4.292 ( 18.676 -0.212 -0.411) 18.682 4.314 ( 17.855 -0.122 0.617) 17.866 4.538 ( -0.987 0.956 0.124) 1.380 4.560 ( -0.951 0.460 -0.424) 1.138 4.604 ( 1.525 -0.831 -0.376) 1.777 4.650 ( 1.399 -1.231 0.495) 1.928 4.705 ( -0.919 -0.301 -1.867) 2.103 4.774 ( -0.192 0.088 1.524) 1.538 6.066 ( -1.338 0.568 -0.916) 1.718 6.081 ( -0.471 -0.222 -0.803) 0.957 6.099 ( 0.813 -0.237 0.661) 1.074 6.132 ( -2.484 0.100 1.184) 2.753 7.103 ( 2.067 0.107 -0.328) 2.096 7.130 ( 1.553 -0.393 0.346) 1.639 7.908 ( -1.703 0.127 -0.242) 1.725 7.919 ( -2.017 0.122 0.223) 2.033 12.242 ( 0.685 0.259 -0.165) 0.751 12.251 ( 0.052 0.234 0.117) 0.266 12.685 ( -1.455 -1.033 -0.876) 1.988 12.710 ( -1.541 -1.823 -1.224) 2.683 12.787 ( -0.353 0.837 0.434) 1.007 12.853 ( 1.365 -0.547 2.672) 3.050 13.007 ( -0.178 4.870 -1.303) 5.045 13.145 ( -0.320 -3.060 -0.408) 3.104======================= Grid point 219 (87/171) =======================q-point: (-0.30 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.670 ( -0.053 -1.228 -8.762) 8.848 0.967 ( -3.163 2.540 0.168) 4.060 1.025 ( 1.564 -0.579 2.636) 3.119 1.077 ( 6.689 -2.189 6.610) 9.655 1.298 ( -3.465 1.380 -1.448) 4.001 1.331 ( 5.537 0.442 -1.296) 5.704 1.346 ( -5.934 -0.917 -1.817) 6.273 1.429 ( 5.157 0.205 -2.914) 5.927 1.475 ( -0.563 0.093 -1.291) 1.412 1.589 ( -1.889 0.146 3.076) 3.613 1.776 ( 0.213 0.012 1.187) 1.206 1.823 ( 2.789 0.513 -0.546) 2.888 1.931 ( -1.900 1.553 0.205) 2.463 1.997 ( -0.540 -2.351 2.108) 3.203 2.172 ( 1.739 -0.163 -3.838) 4.217 2.231 ( -0.721 -0.538 -2.624) 2.774 2.407 ( -0.614 0.673 -1.050) 1.390 2.415 ( -0.922 0.398 -0.567) 1.154 2.522 ( -1.097 -0.261 0.346) 1.180 2.564 ( 1.819 0.233 2.986) 3.504 2.720 ( 1.977 -0.325 -0.731) 2.133 2.748 ( 0.803 -0.306 0.061) 0.862 3.693 ( 1.277 0.013 -0.011) 1.277 3.696 ( -0.033 0.029 0.089) 0.099 4.031 ( -1.348 -0.032 -0.776) 1.556 4.079 ( -0.674 0.148 0.911) 1.143 4.558 ( -0.491 1.396 -0.005) 1.480 4.571 ( 0.007 0.668 -0.269) 0.720 4.586 ( -0.337 -1.108 -0.372) 1.216 4.635 ( -0.480 -0.898 1.011) 1.435 4.715 ( -1.197 -0.030 -1.541) 1.952 4.778 ( 0.354 0.053 0.801) 0.877 6.052 ( 1.446 -0.183 -0.226) 1.475 6.071 ( 1.852 -0.606 0.151) 1.954 6.105 ( -1.264 0.312 -1.119) 1.717 6.177 ( -1.395 0.473 1.368) 2.010 7.084 ( -0.043 0.009 -0.616) 0.618 7.123 ( -0.560 -0.036 0.726) 0.917 7.920 ( 0.160 0.017 -0.202) 0.258 7.933 ( 0.500 -0.039 0.232) 0.552 12.231 ( 0.485 0.015 -0.481) 0.683 12.251 ( 0.185 0.124 0.237) 0.325 12.700 ( -0.604 0.029 -1.034) 1.197 12.714 ( -1.668 -1.443 -1.243) 2.532 12.804 ( 0.064 1.164 1.601) 1.981 12.834 ( 1.295 -1.021 2.006) 2.597 13.031 ( 0.105 3.389 -2.187) 4.035 13.135 ( -0.889 -2.208 0.382) 2.411======================= Grid point 220 (88/171) =======================q-point: (-0.20 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.664 ( -2.931 -0.000 -3.997) 4.957 0.928 ( 11.546 0.000 4.066) 12.241 0.962 ( 4.409 -0.000 -0.980) 4.517 1.068 ( -4.450 0.000 0.903) 4.541 1.179 ( 9.472 0.000 -1.016) 9.527 1.252 ( 7.045 0.000 2.313) 7.415 1.425 ( -3.154 -0.000 -4.670) 5.635 1.455 ( -0.629 -0.000 -3.992) 4.042 1.464 ( -5.200 -0.000 -1.106) 5.317 1.641 ( -4.524 -0.000 -1.208) 4.683 1.836 ( -3.102 0.000 4.369) 5.359 1.839 ( -5.938 0.000 2.306) 6.370 1.989 ( -3.532 -0.000 -0.040) 3.532 2.005 ( -0.137 0.000 3.092) 3.095 2.119 ( 2.460 -0.000 -3.965) 4.666 2.242 ( -1.284 -0.000 -0.433) 1.355 2.401 ( 0.484 0.000 0.343) 0.594 2.448 ( -2.416 -0.000 -2.032) 3.157 2.542 ( -1.451 -0.000 -0.770) 1.643 2.547 ( 1.335 0.000 1.626) 2.104 2.636 ( 6.547 -0.000 -1.382) 6.691 2.698 ( 4.784 0.000 0.290) 4.793 3.317 ( 30.182 0.000 -0.471) 30.186 3.364 ( 28.151 0.000 0.730) 28.160 4.304 ( -18.907 -0.000 -0.421) 18.912 4.335 ( -18.409 -0.000 0.311) 18.412 4.561 ( 0.892 -0.000 -0.177) 0.909 4.565 ( 0.886 0.000 -0.092) 0.891 4.607 ( -2.847 -0.000 0.013) 2.847 4.668 ( -2.980 0.000 1.381) 3.284 4.730 ( -1.216 -0.000 -1.186) 1.699 4.767 ( 1.130 0.000 -0.053) 1.131 6.022 ( 1.837 0.000 -0.134) 1.842 6.031 ( 2.534 0.000 0.011) 2.534 6.113 ( -0.102 -0.000 -0.995) 1.000 6.194 ( 0.288 0.000 1.070) 1.108 7.100 ( -2.152 -0.000 -0.622) 2.240 7.153 ( -2.528 0.000 0.791) 2.649 7.901 ( 2.072 0.000 -0.002) 2.072 7.904 ( 2.967 0.000 0.063) 2.967 12.226 ( -0.292 -0.000 -0.428) 0.518 12.249 ( 0.172 0.000 0.166) 0.239 12.694 ( 0.371 -0.000 -1.165) 1.222 12.741 ( -2.032 -0.000 -0.467) 2.085 12.808 ( 1.176 0.000 1.269) 1.730 12.812 ( 1.378 0.000 1.750) 2.227 13.036 ( -0.368 -0.000 -2.150) 2.181 13.145 ( -0.832 0.000 0.963) 1.272======================= Grid point 225 (89/171) =======================q-point: ( 0.30 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.398 ( 0.000 12.652 6.925) 14.423 0.488 ( -0.000 13.740 2.829) 14.028 0.611 ( 0.000 7.751 3.601) 8.547 0.805 ( -0.000 21.821 2.464) 21.960 0.943 ( -0.000 7.135 0.680) 7.167 1.036 ( -0.000 9.870 -5.711) 11.403 1.210 ( 0.000 -2.603 2.995) 3.968 1.286 ( -0.000 2.151 -4.447) 4.940 1.342 ( 0.000 -0.627 0.504) 0.805 1.495 ( -0.000 0.168 -1.000) 1.014 1.720 ( 0.000 -2.112 1.744) 2.739 1.809 ( 0.000 -6.602 1.782) 6.838 2.060 ( -0.000 -2.816 -5.231) 5.941 2.121 ( -0.000 4.109 -0.035) 4.109 2.144 ( -0.000 1.481 0.024) 1.481 2.161 ( -0.000 -3.294 -1.734) 3.723 2.294 ( 0.000 0.994 0.670) 1.199 2.342 ( 0.000 -2.948 -0.137) 2.951 2.383 ( -0.000 3.231 -7.564) 8.225 2.395 ( -0.000 1.545 -0.943) 1.810 2.539 ( 0.000 -1.380 2.077) 2.493 2.545 ( 0.000 -0.973 4.823) 4.920 2.614 ( 0.000 -1.128 6.469) 6.567 3.018 ( -0.000 -4.574 -3.499) 5.759 4.452 ( 0.000 -2.625 -0.020) 2.625 4.457 ( 0.000 -2.427 -0.040) 2.428 4.628 ( 0.000 0.800 0.735) 1.087 4.763 ( -0.000 -0.580 -0.929) 1.095 4.790 ( -0.000 -0.140 -0.207) 0.249 4.835 ( 0.000 -2.199 -0.388) 2.233 4.900 ( 0.000 0.720 0.370) 0.809 4.930 ( 0.000 -0.295 0.178) 0.344 5.881 ( 0.000 -0.402 0.834) 0.926 5.936 ( 0.000 -1.265 -0.151) 1.274 6.071 ( -0.000 0.770 -0.010) 0.770 6.090 ( -0.000 0.410 -0.517) 0.660 7.451 ( 0.000 0.017 0.040) 0.044 7.455 ( 0.000 -0.064 -0.008) 0.064 7.550 ( -0.000 1.417 0.187) 1.429 7.559 ( 0.000 0.455 0.500) 0.676 12.254 ( 0.000 -0.024 0.133) 0.136 12.282 ( -0.000 -0.444 -0.229) 0.499 12.480 ( -0.000 1.828 0.499) 1.895 12.643 ( -0.000 2.628 -1.669) 3.113 12.726 ( 0.000 -1.517 0.193) 1.530 12.906 ( -0.000 3.300 -1.448) 3.604 13.054 ( 0.000 -3.628 0.670) 3.690 13.130 ( -0.000 -0.067 -0.764) 0.767======================= Grid point 226 (90/171) =======================q-point: ( 0.40 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.587 ( -5.972 10.631 4.487) 12.993 0.717 ( -4.448 7.268 4.047) 9.434 0.762 ( -9.486 9.467 3.769) 13.921 1.016 ( 0.276 5.084 -4.203) 6.602 1.077 ( -11.893 7.709 -0.244) 14.175 1.173 ( -4.064 3.855 -0.224) 5.606 1.268 ( -1.711 3.068 -4.587) 5.778 1.339 ( -11.792 3.822 0.746) 12.418 1.381 ( -11.629 2.761 2.404) 12.192 1.545 ( -6.951 0.575 0.892) 7.032 1.704 ( 0.143 -1.522 1.888) 2.429 1.793 ( -1.903 -6.809 1.823) 7.301 2.001 ( 0.750 -2.353 -4.017) 4.715 2.080 ( 3.477 -3.819 -3.456) 6.214 2.138 ( 1.937 2.273 0.307) 3.002 2.200 ( -4.210 2.101 -0.417) 4.724 2.317 ( 0.358 -2.168 0.165) 2.204 2.332 ( -1.631 1.654 -0.509) 2.378 2.362 ( 0.509 2.851 -5.545) 6.256 2.429 ( -2.646 1.923 -1.756) 3.712 2.539 ( -0.208 -0.897 3.056) 3.191 2.558 ( 0.131 -1.502 3.001) 3.359 2.618 ( 1.123 -1.559 6.913) 7.175 2.852 ( 10.762 -1.916 -2.766) 11.276 4.450 ( -1.396 -2.275 -0.006) 2.670 4.459 ( -2.474 -2.304 -0.230) 3.389 4.648 ( -1.003 0.597 0.801) 1.415 4.746 ( 1.089 -0.648 -1.082) 1.666 4.775 ( 1.344 -0.430 0.539) 1.511 4.798 ( 2.143 -1.673 -0.437) 2.753 4.884 ( 2.991 -0.025 -0.346) 3.011 4.900 ( 3.419 -0.531 0.281) 3.471 5.899 ( -2.060 -0.089 0.273) 2.080 5.952 ( -2.632 -1.063 -0.011) 2.838 6.077 ( -0.236 0.669 -0.368) 0.799 6.098 ( -0.722 0.397 0.183) 0.844 7.357 ( 7.273 0.059 -0.004) 7.273 7.366 ( 6.260 -0.224 -0.040) 6.265 7.650 ( -7.038 0.793 -0.249) 7.087 7.665 ( -7.153 0.509 0.709) 7.206 12.251 ( 0.325 -0.008 0.097) 0.339 12.272 ( 0.601 -0.304 -0.059) 0.676 12.545 ( -4.714 0.166 0.190) 4.721 12.665 ( -1.427 0.529 -2.381) 2.826 12.735 ( -1.534 0.110 1.198) 1.949 12.907 ( 1.329 1.886 -2.642) 3.507 12.982 ( 3.642 -0.349 2.405) 4.379 13.175 ( -3.130 -2.099 -1.042) 3.911======================= Grid point 227 (91/171) =======================q-point: ( 0.50 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.725 ( -1.918 5.340 -2.857) 6.352 0.866 ( -4.661 5.094 3.941) 7.951 0.915 ( -1.228 5.924 3.161) 6.826 1.001 ( -0.453 0.919 -2.550) 2.748 1.183 ( 0.344 5.460 -1.056) 5.572 1.259 ( -0.920 0.508 -2.370) 2.593 1.301 ( -2.828 3.640 3.527) 5.804 1.424 ( -1.699 -1.343 0.260) 2.181 1.622 ( -0.152 -0.638 2.252) 2.345 1.733 ( 0.429 -0.722 3.527) 3.626 1.840 ( -10.789 0.928 -0.854) 10.862 1.925 ( -23.033 2.953 0.688) 23.232 1.962 ( 3.115 -3.267 -2.222) 5.031 1.995 ( -1.600 -0.513 -2.417) 2.944 2.156 ( -2.554 4.835 -0.663) 5.508 2.266 ( 1.348 -2.727 0.860) 3.161 2.301 ( -4.585 -1.778 -5.359) 7.273 2.331 ( -7.410 -0.225 -1.848) 7.640 2.441 ( -5.278 2.531 -0.112) 5.855 2.491 ( -2.750 1.147 0.536) 3.028 2.537 ( -1.082 -0.186 -0.219) 1.120 2.582 ( -3.746 -1.529 1.183) 4.215 2.628 ( 0.515 -0.439 6.589) 6.624 2.670 ( 6.155 -0.328 -1.391) 6.319 4.471 ( -2.399 -1.273 0.130) 2.719 4.491 ( -2.782 -1.227 -0.388) 3.066 4.666 ( -0.333 -0.258 0.024) 0.422 4.706 ( 2.782 -0.388 -0.520) 2.857 4.730 ( 4.383 -0.871 0.631) 4.513 4.754 ( 2.414 -0.514 0.468) 2.512 4.798 ( 5.160 -0.671 -0.481) 5.226 4.802 ( 7.179 -0.617 -0.279) 7.211 5.948 ( -3.419 0.363 -0.467) 3.470 6.002 ( -3.381 0.030 0.469) 3.414 6.086 ( -0.482 0.083 -0.381) 0.620 6.115 ( -0.819 -0.222 0.370) 0.926 7.243 ( 6.003 0.067 0.155) 6.005 7.261 ( 5.345 -0.656 -0.340) 5.396 7.769 ( -6.093 0.645 -0.171) 6.129 7.781 ( -5.482 0.490 0.390) 5.518 12.246 ( 0.116 0.018 -0.070) 0.136 12.261 ( 0.606 0.105 0.276) 0.674 12.621 ( -4.185 -0.784 0.014) 4.258 12.674 ( -1.256 -1.422 -1.337) 2.320 12.767 ( -1.141 0.130 -1.038) 1.548 12.889 ( 0.647 0.998 0.920) 1.503 12.955 ( 1.989 2.835 0.974) 3.598 13.183 ( -0.775 -2.809 -1.042) 3.095======================= Grid point 228 (92/171) =======================q-point: ( 0.60 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.724 ( 1.177 0.949 -7.641) 7.790 0.898 ( 1.062 0.447 -1.192) 1.658 1.004 ( -1.763 2.877 3.662) 4.979 1.064 ( -4.963 3.053 1.322) 5.975 1.192 ( 1.177 3.263 -2.727) 4.412 1.269 ( -0.375 -0.047 1.368) 1.420 1.372 ( -2.052 0.298 3.933) 4.447 1.433 ( -0.630 -1.586 2.087) 2.695 1.604 ( 2.325 0.495 2.435) 3.403 1.690 ( 5.237 0.442 0.734) 5.307 1.865 ( 3.674 0.014 -0.322) 3.688 1.907 ( -0.572 -0.057 -1.542) 1.645 1.955 ( 3.631 0.865 -0.513) 3.767 2.099 ( 4.645 0.410 -1.258) 4.830 2.208 ( 0.981 2.537 -3.044) 4.082 2.282 ( -1.273 -5.208 0.259) 5.368 2.309 ( -2.940 2.307 -3.938) 5.429 2.469 ( 0.101 -4.332 -1.445) 4.567 2.498 ( -0.017 1.341 1.251) 1.834 2.599 ( -6.966 1.723 0.600) 7.201 2.604 ( -1.724 0.905 3.281) 3.816 2.659 ( -4.622 0.571 0.303) 4.667 2.815 ( -26.635 -0.147 0.165) 26.636 2.831 ( -27.784 0.618 0.658) 27.798 4.508 ( -2.112 -0.046 0.226) 2.125 4.526 ( -1.543 -0.058 -0.384) 1.591 4.573 ( 13.129 -0.390 0.040) 13.134 4.587 ( 11.954 -0.478 0.512) 11.975 4.649 ( 2.978 -0.706 -0.196) 3.067 4.688 ( 1.318 -0.551 -1.948) 2.415 4.699 ( 1.929 -1.246 0.090) 2.298 4.776 ( -0.115 0.032 1.283) 1.289 6.009 ( -3.389 0.579 -0.905) 3.555 6.066 ( -2.686 1.171 0.629) 2.997 6.090 ( -0.670 -0.588 0.048) 0.892 6.121 ( -0.171 -0.805 0.243) 0.858 7.156 ( 4.195 0.028 0.096) 4.196 7.178 ( 3.503 -0.576 -0.205) 3.556 7.861 ( -3.524 0.289 -0.005) 3.536 7.863 ( -4.300 0.420 0.023) 4.320 12.247 ( -0.072 0.259 -0.000) 0.269 12.253 ( 0.661 0.272 0.171) 0.735 12.666 ( -2.030 -1.857 -0.652) 2.827 12.687 ( -2.017 -1.381 -0.703) 2.544 12.772 ( -0.704 0.090 -0.929) 1.170 12.892 ( 1.265 0.083 3.050) 3.303 12.964 ( 0.234 4.869 -0.827) 4.945 13.162 ( -0.085 -3.116 -0.917) 3.249======================= Grid point 229 (93/171) =======================q-point: ( 0.70 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.656 ( 1.531 -1.711 -8.752) 9.048 0.899 ( -2.262 0.026 -0.859) 2.419 1.058 ( -0.265 1.459 4.131) 4.389 1.167 ( -2.095 0.134 2.127) 2.989 1.187 ( -2.350 2.884 -2.636) 4.560 1.277 ( -0.965 -1.883 1.252) 2.458 1.415 ( 1.149 1.184 2.054) 2.635 1.436 ( -0.770 -0.872 1.423) 1.838 1.548 ( 7.995 0.594 -3.038) 8.573 1.599 ( 1.461 -0.362 3.098) 3.444 1.828 ( 3.493 1.773 3.535) 5.277 1.872 ( 3.222 0.153 -2.867) 4.315 1.909 ( 1.809 1.828 -0.849) 2.708 2.022 ( 1.357 -2.648 -0.169) 2.980 2.183 ( 1.234 0.312 -3.387) 3.618 2.227 ( 1.099 -2.503 -3.050) 4.096 2.353 ( -2.154 1.641 -2.153) 3.460 2.434 ( 0.820 -1.539 0.831) 1.932 2.512 ( -0.327 0.459 0.852) 1.022 2.609 ( 2.113 0.921 3.138) 3.894 2.704 ( -3.545 0.497 0.241) 3.588 2.728 ( -3.078 -0.427 -0.533) 3.153 3.334 ( -29.938 0.132 -0.162) 29.938 3.353 ( -29.029 0.263 0.283) 29.031 4.289 ( 18.825 -0.286 -0.273) 18.830 4.319 ( 17.768 -0.056 0.477) 17.774 4.539 ( -0.917 0.944 0.233) 1.337 4.555 ( -0.929 0.624 -0.541) 1.243 4.601 ( 1.341 -1.187 -0.227) 1.805 4.653 ( 1.248 -0.830 0.267) 1.522 4.691 ( -0.996 -0.595 -1.326) 1.762 4.785 ( -0.007 0.138 1.069) 1.078 6.059 ( -2.067 0.508 -0.753) 2.257 6.075 ( 0.242 -0.420 -0.536) 0.722 6.104 ( 1.030 -0.339 0.510) 1.198 6.141 ( -2.736 0.476 0.905) 2.920 7.101 ( 2.181 -0.072 -0.271) 2.199 7.133 ( 1.394 -0.190 0.289) 1.436 7.906 ( -1.671 0.093 -0.187) 1.684 7.920 ( -2.062 0.156 0.168) 2.075 12.241 ( 0.852 0.167 -0.141) 0.880 12.252 ( -0.013 0.287 0.094) 0.302 12.679 ( -1.581 -1.292 -0.603) 2.129 12.699 ( -1.172 -1.587 -1.400) 2.419 12.794 ( -1.027 0.873 0.990) 1.673 12.874 ( 1.630 -0.625 2.161) 2.778 12.995 ( 0.138 4.747 -1.381) 4.946 13.141 ( -0.596 -2.952 -0.474) 3.049======================= Grid point 230 (94/171) =======================q-point: (-0.20 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.604 ( -1.577 -1.732 -6.355) 6.773 0.967 ( -4.560 1.530 -0.054) 4.810 1.041 ( 3.046 -0.984 1.425) 3.504 1.139 ( 7.576 -0.487 7.435) 10.626 1.287 ( -4.193 1.620 -1.030) 4.611 1.318 ( -0.080 -0.296 -1.402) 1.435 1.335 ( 0.096 0.107 -1.068) 1.078 1.394 ( 5.128 -1.187 -5.146) 7.361 1.462 ( 0.520 0.329 -1.268) 1.410 1.609 ( 0.102 0.391 1.645) 1.694 1.797 ( 0.701 0.180 3.072) 3.156 1.830 ( 0.738 0.529 2.273) 2.447 1.923 ( -2.612 1.057 -2.215) 3.584 2.009 ( -1.017 -1.673 0.663) 2.067 2.141 ( 1.678 -0.601 -3.221) 3.681 2.211 ( -1.518 -0.844 -1.857) 2.543 2.393 ( -2.012 1.529 -1.589) 2.985 2.420 ( 0.405 -0.894 0.866) 1.309 2.524 ( -0.504 0.247 0.089) 0.568 2.585 ( 2.285 0.372 1.949) 3.027 2.714 ( 2.260 -0.438 -0.485) 2.353 2.748 ( 0.628 -0.304 -0.065) 0.701 3.693 ( 1.418 0.013 -0.001) 1.418 3.696 ( -0.232 0.037 0.064) 0.244 4.025 ( -1.402 -0.085 -0.477) 1.483 4.085 ( -0.531 0.219 0.579) 0.816 4.558 ( -0.446 1.371 0.061) 1.443 4.568 ( -0.096 0.784 -0.242) 0.826 4.584 ( -0.381 -1.392 -0.172) 1.453 4.643 ( -0.664 -0.650 0.688) 1.156 4.704 ( -1.322 -0.190 -1.105) 1.734 4.784 ( 0.659 0.113 0.474) 0.820 6.051 ( 1.380 -0.318 -0.123) 1.421 6.072 ( 1.681 -0.519 -0.091) 1.762 6.098 ( -0.986 0.320 -0.526) 1.162 6.186 ( -1.398 0.532 0.881) 1.736 7.080 ( 0.019 -0.049 -0.391) 0.395 7.128 ( -0.649 0.035 0.480) 0.807 7.919 ( 0.098 -0.007 -0.130) 0.162 7.935 ( 0.538 -0.012 0.154) 0.560 12.227 ( 0.547 -0.026 -0.331) 0.640 12.252 ( 0.169 0.139 0.134) 0.257 12.692 ( -0.342 -0.332 -0.765) 0.902 12.705 ( -2.029 -1.056 -0.788) 2.419 12.817 ( -0.006 1.176 1.353) 1.793 12.849 ( 1.378 -1.140 1.439) 2.295 13.014 ( 0.231 3.090 -1.798) 3.582 13.137 ( -1.147 -1.881 0.176) 2.210======================= Grid point 231 (95/171) =======================q-point: (-0.10 0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.637 ( -4.664 -0.000 -2.262) 5.183 0.955 ( 14.277 0.000 2.256) 14.454 0.957 ( 5.591 0.000 -0.373) 5.604 1.073 ( -5.105 -0.000 0.330) 5.116 1.172 ( 9.469 0.000 -0.560) 9.486 1.277 ( 4.108 0.000 3.439) 5.357 1.382 ( 1.340 -0.000 -5.340) 5.505 1.428 ( -3.747 -0.000 -1.992) 4.244 1.457 ( -5.151 -0.000 -0.616) 5.188 1.629 ( -4.189 -0.000 -1.240) 4.369 1.861 ( -5.676 0.000 2.458) 6.186 1.877 ( -3.778 0.000 4.679) 6.014 1.979 ( -4.200 -0.000 -2.060) 4.677 2.026 ( -0.672 0.000 1.654) 1.785 2.089 ( 2.672 -0.000 -2.844) 3.902 2.238 ( -2.455 -0.000 -0.369) 2.482 2.406 ( 0.958 0.000 0.663) 1.165 2.432 ( -2.392 -0.000 -1.407) 2.776 2.535 ( -0.931 -0.000 -0.691) 1.160 2.559 ( 1.532 0.000 1.089) 1.880 2.626 ( 7.018 0.000 -0.861) 7.071 2.699 ( 4.665 0.000 0.106) 4.666 3.314 ( 30.314 0.000 -0.228) 30.315 3.369 ( 27.972 0.000 0.387) 27.975 4.301 ( -18.928 -0.000 -0.216) 18.930 4.337 ( -18.284 -0.000 0.136) 18.285 4.560 ( 0.889 0.000 -0.104) 0.895 4.564 ( 0.873 0.000 -0.064) 0.875 4.608 ( -3.050 -0.000 0.171) 3.054 4.677 ( -3.186 0.000 0.793) 3.283 4.722 ( -1.294 -0.000 -0.757) 1.499 4.767 ( 1.500 0.000 -0.100) 1.503 6.021 ( 1.802 0.000 -0.067) 1.803 6.031 ( 2.615 0.000 -0.030) 2.615 6.107 ( -0.070 -0.000 -0.492) 0.497 6.201 ( 0.368 0.000 0.559) 0.669 7.096 ( -2.134 -0.000 -0.319) 2.158 7.158 ( -2.580 -0.000 0.424) 2.615 7.901 ( 1.992 0.000 0.002) 1.992 7.904 ( 3.044 0.000 0.036) 3.045 12.223 ( -0.345 -0.000 -0.236) 0.418 12.250 ( 0.203 0.000 0.075) 0.216 12.686 ( 0.313 -0.000 -0.598) 0.676 12.738 ( -2.159 -0.000 -0.257) 2.175 12.817 ( 1.496 0.000 0.788) 1.691 12.824 ( 1.255 0.000 0.988) 1.598 13.021 ( -0.581 -0.000 -1.262) 1.389 13.151 ( -1.041 0.000 0.467) 1.141======================= Grid point 232 (96/171) =======================q-point: ( 0.00 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( -5.303 -0.000 0.000) 5.303 0.955 ( 6.019 0.000 -0.000) 6.019 0.965 ( 15.502 0.000 -0.000) 15.502 1.074 ( -5.347 -0.000 0.000) 5.347 1.170 ( 9.462 0.000 -0.000) 9.462 1.300 ( 0.527 0.000 -0.000) 0.527 1.350 ( 5.044 0.000 -0.000) 5.044 1.420 ( -4.723 -0.000 0.000) 4.723 1.454 ( -5.087 -0.000 0.000) 5.087 1.624 ( -4.183 -0.000 0.000) 4.183 1.873 ( -5.577 -0.000 0.000) 5.577 1.902 ( -3.666 -0.000 0.000) 3.666 1.966 ( -4.742 -0.000 0.000) 4.742 2.033 ( -1.079 -0.000 0.000) 1.079 2.076 ( 2.985 0.000 -0.000) 2.985 2.237 ( -2.855 -0.000 0.000) 2.855 2.410 ( 1.097 0.000 -0.000) 1.097 2.426 ( -2.333 -0.000 0.000) 2.333 2.532 ( -0.707 -0.000 0.000) 0.707 2.564 ( 1.472 0.000 -0.000) 1.472 2.623 ( 7.280 0.000 -0.000) 7.280 2.700 ( 4.619 0.000 -0.000) 4.619 3.313 ( 30.356 0.000 -0.000) 30.356 3.371 ( 27.912 0.000 -0.000) 27.912 4.300 ( -18.935 -0.000 0.000) 18.935 4.338 ( -18.234 -0.000 0.000) 18.234 4.559 ( 0.888 0.000 -0.000) 0.888 4.564 ( 0.866 0.000 -0.000) 0.866 4.609 ( -3.140 -0.000 0.000) 3.140 4.681 ( -3.281 -0.000 0.000) 3.281 4.718 ( -1.305 -0.000 0.000) 1.305 4.766 ( 1.651 0.000 -0.000) 1.651 6.021 ( 1.791 0.000 -0.000) 1.791 6.031 ( 2.642 0.000 -0.000) 2.642 6.105 ( -0.054 -0.000 0.000) 0.054 6.203 ( 0.397 0.000 -0.000) 0.397 7.095 ( -2.129 -0.000 0.000) 2.129 7.160 ( -2.599 -0.000 0.000) 2.599 7.901 ( 1.964 0.000 -0.000) 1.964 7.904 ( 3.071 0.000 -0.000) 3.071 12.222 ( -0.363 -0.000 0.000) 0.363 12.250 ( 0.213 0.000 -0.000) 0.213 12.684 ( 0.288 0.000 -0.000) 0.288 12.736 ( -2.206 -0.000 0.000) 2.206 12.821 ( 1.631 0.000 -0.000) 1.631 12.828 ( 1.213 0.000 -0.000) 1.213 13.016 ( -0.679 -0.000 0.000) 0.679 13.153 ( -1.120 -0.000 0.000) 1.120======================= Grid point 236 (97/171) =======================q-point: ( 0.40 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.473 ( 0.000 9.965 9.923) 14.063 0.522 ( 0.000 12.701 5.075) 13.677 0.657 ( 0.000 7.765 6.909) 10.394 0.823 ( -0.000 14.554 1.143) 14.599 0.961 ( -0.000 11.888 4.297) 12.641 0.976 ( -0.000 7.872 -7.962) 11.197 1.214 ( -0.000 0.481 -4.824) 4.848 1.255 ( -0.000 1.541 -0.468) 1.611 1.346 ( 0.000 0.076 0.689) 0.693 1.483 ( -0.000 0.891 -1.817) 2.024 1.742 ( 0.000 -2.421 3.320) 4.109 1.829 ( 0.000 -6.173 2.705) 6.740 2.009 ( -0.000 -2.800 -6.020) 6.639 2.110 ( -0.000 -0.787 -3.950) 4.027 2.143 ( -0.000 1.583 -1.250) 2.017 2.145 ( -0.000 1.687 0.101) 1.690 2.301 ( 0.000 1.109 0.841) 1.392 2.324 ( -0.000 3.985 -5.160) 6.519 2.339 ( 0.000 -2.597 -0.467) 2.638 2.384 ( -0.000 1.661 -1.708) 2.382 2.556 ( 0.000 -1.149 2.050) 2.349 2.590 ( 0.000 -1.072 4.998) 5.111 2.676 ( 0.000 -2.207 7.486) 7.805 2.979 ( -0.000 -4.150 -5.476) 6.871 4.452 ( 0.000 -2.580 -0.023) 2.580 4.456 ( 0.000 -2.399 -0.095) 2.401 4.638 ( 0.000 0.749 1.418) 1.604 4.752 ( -0.000 -0.339 -1.699) 1.733 4.789 ( 0.000 -0.303 0.009) 0.303 4.830 ( 0.000 -2.122 -0.726) 2.242 4.904 ( 0.000 0.595 0.630) 0.866 4.931 ( 0.000 -0.230 0.069) 0.240 5.890 ( 0.000 -0.890 1.230) 1.518 5.934 ( 0.000 -1.322 -0.308) 1.358 6.071 ( -0.000 0.776 -0.008) 0.776 6.085 ( -0.000 0.693 -0.695) 0.981 7.451 ( 0.000 -0.015 0.072) 0.074 7.455 ( 0.000 -0.084 -0.021) 0.086 7.552 ( -0.000 1.379 0.352) 1.423 7.564 ( 0.000 0.484 0.505) 0.700 12.255 ( 0.000 -0.009 0.263) 0.263 12.279 ( -0.000 -0.365 -0.403) 0.544 12.486 ( 0.000 1.898 1.014) 2.152 12.621 ( -0.000 2.463 -3.277) 4.099 12.733 ( 0.000 -0.490 1.510) 1.587 12.889 ( -0.000 2.527 -2.525) 3.572 13.061 ( 0.000 -2.803 1.061) 2.998 13.122 ( -0.000 0.145 -1.098) 1.108======================= Grid point 237 (98/171) =======================q-point: ( 0.50 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.628 ( -3.566 8.113 5.047) 10.199 0.764 ( -5.629 7.715 6.447) 11.522 0.801 ( -7.787 7.632 5.571) 12.245 0.970 ( 0.174 4.260 -6.067) 7.415 1.071 ( -13.457 5.143 -1.763) 14.514 1.175 ( -3.991 6.640 0.229) 7.750 1.222 ( -2.009 4.674 -5.451) 7.456 1.351 ( -8.697 3.223 1.673) 9.424 1.401 ( -13.602 2.950 2.115) 14.078 1.551 ( -8.602 0.933 0.559) 8.670 1.727 ( 0.734 -1.531 3.574) 3.957 1.810 ( -0.752 -5.449 1.915) 5.825 1.965 ( -0.719 -2.590 -4.008) 4.826 2.039 ( 2.893 -3.153 -6.083) 7.437 2.141 ( 1.946 2.493 0.321) 3.179 2.196 ( -3.149 2.315 -0.647) 3.962 2.302 ( 2.209 1.665 -4.182) 5.015 2.321 ( 0.669 -0.201 0.318) 0.767 2.347 ( -3.167 1.529 0.511) 3.553 2.415 ( -2.837 2.122 -1.727) 3.942 2.563 ( -0.586 -0.796 2.818) 2.986 2.588 ( 1.747 -1.883 3.757) 4.551 2.672 ( 1.054 -2.244 5.369) 5.914 2.823 ( 9.406 -2.519 -3.594) 10.380 4.450 ( -1.468 -2.272 0.005) 2.706 4.457 ( -2.294 -2.173 -0.297) 3.174 4.657 ( -0.692 0.428 1.203) 1.452 4.737 ( 0.852 -0.474 -1.133) 1.495 4.778 ( 0.819 -0.464 0.290) 0.985 4.794 ( 2.045 -1.671 -0.583) 2.704 4.881 ( 3.465 0.010 -0.162) 3.469 4.902 ( 3.471 -0.444 0.128) 3.501 5.902 ( -1.721 -0.371 0.312) 1.788 5.952 ( -2.828 -1.042 -0.015) 3.014 6.074 ( -0.163 0.650 -0.367) 0.764 6.100 ( -1.012 0.372 0.151) 1.089 7.357 ( 7.221 0.025 -0.006) 7.221 7.366 ( 6.445 -0.184 -0.046) 6.448 7.649 ( -6.932 0.784 -0.070) 6.977 7.671 ( -7.118 0.516 0.572) 7.159 12.252 ( 0.421 -0.072 0.136) 0.448 12.271 ( 0.440 -0.149 -0.081) 0.472 12.548 ( -4.245 0.548 0.438) 4.303 12.642 ( -1.850 0.875 -2.917) 3.563 12.747 ( -0.970 -0.162 1.740) 1.998 12.884 ( 0.611 1.639 -2.628) 3.157 13.001 ( 3.524 0.081 2.017) 4.061 13.165 ( -2.997 -1.745 -1.242) 3.684======================= Grid point 238 (99/171) =======================q-point: ( 0.60 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.701 ( 0.495 2.973 -2.615) 3.990 0.893 ( -1.031 3.441 1.827) 4.030 0.946 ( -3.518 5.266 3.961) 7.470 0.990 ( -1.168 3.441 0.262) 3.643 1.166 ( 0.688 5.372 -2.830) 6.111 1.238 ( -2.432 1.999 -2.348) 3.927 1.335 ( -3.992 2.712 3.914) 6.214 1.423 ( -2.256 -0.811 -0.383) 2.428 1.651 ( 0.080 -1.424 4.487) 4.708 1.759 ( 1.798 -0.302 2.292) 2.929 1.831 ( -10.966 0.750 -1.030) 11.040 1.931 ( -9.350 -2.359 -2.999) 10.098 1.935 ( -10.202 3.292 -0.714) 10.744 1.979 ( -3.339 -0.014 -0.556) 3.385 2.147 ( -0.709 4.399 -1.441) 4.683 2.248 ( 3.341 3.220 -4.708) 6.611 2.275 ( -7.893 -5.086 -0.086) 9.390 2.332 ( -7.179 -2.233 1.379) 7.644 2.438 ( -4.463 2.624 -0.636) 5.216 2.494 ( -4.500 1.865 0.224) 4.876 2.535 ( 1.623 -1.802 -0.215) 2.434 2.594 ( -2.754 -1.227 1.463) 3.351 2.657 ( 3.472 -0.051 -1.591) 3.820 2.677 ( 1.190 -1.161 4.800) 5.079 4.472 ( -2.464 -1.288 0.219) 2.789 4.487 ( -2.713 -1.111 -0.486) 2.972 4.666 ( 0.022 -0.520 0.002) 0.520 4.702 ( 2.562 -0.457 -0.344) 2.626 4.735 ( 3.954 -0.702 0.472) 4.043 4.760 ( 3.060 -0.551 0.783) 3.206 4.793 ( 4.117 -0.433 -0.761) 4.209 4.799 ( 7.837 -0.687 -0.296) 7.872 5.945 ( -3.218 0.143 -0.394) 3.245 6.006 ( -3.566 0.146 0.394) 3.591 6.083 ( -0.610 -0.091 -0.313) 0.691 6.118 ( -0.775 -0.153 0.302) 0.846 7.244 ( 5.876 -0.019 0.234) 5.880 7.257 ( 5.484 -0.542 -0.415) 5.526 7.768 ( -6.143 0.630 -0.086) 6.176 7.784 ( -5.311 0.471 0.295) 5.340 12.246 ( 0.123 -0.038 -0.021) 0.130 12.263 ( 0.583 0.207 0.235) 0.662 12.622 ( -3.997 -0.727 0.039) 4.062 12.662 ( -1.657 -0.879 -1.432) 2.360 12.759 ( -0.492 -0.745 -0.690) 1.128 12.895 ( -0.617 2.765 0.554) 2.887 12.964 ( 2.608 1.659 1.148) 3.297 13.174 ( -0.815 -2.705 -1.109) 3.035======================= Grid point 239 (100/171) =======================q-point: ( 0.70 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.664 ( 2.055 -0.212 -5.824) 6.180 0.889 ( 1.103 0.019 -0.770) 1.345 1.037 ( -1.099 3.206 3.828) 5.113 1.072 ( -5.013 2.998 0.634) 5.875 1.167 ( 1.105 3.027 -2.834) 4.292 1.280 ( -1.268 0.566 1.056) 1.744 1.402 ( -1.953 -0.724 3.003) 3.654 1.445 ( -0.762 0.024 0.681) 1.022 1.639 ( 2.283 0.026 5.648) 6.092 1.688 ( 6.867 -0.170 -0.943) 6.933 1.843 ( 0.809 -0.596 -5.404) 5.496 1.909 ( 0.227 0.511 1.748) 1.835 1.958 ( 4.743 2.462 1.850) 5.655 2.079 ( 4.196 1.248 -3.447) 5.572 2.186 ( 1.402 1.097 -2.038) 2.706 2.278 ( -0.255 -0.030 -1.188) 1.215 2.290 ( -2.051 -3.532 -0.422) 4.106 2.457 ( -2.034 -4.324 -1.104) 4.905 2.506 ( -0.278 1.805 0.695) 1.954 2.604 ( -6.005 1.605 0.663) 6.251 2.622 ( -5.498 0.487 0.918) 5.595 2.665 ( -2.072 0.958 1.094) 2.531 2.816 ( -25.699 -0.383 0.189) 25.703 2.836 ( -27.470 0.720 0.499) 27.484 4.510 ( -2.112 -0.093 0.332) 2.140 4.523 ( -1.757 0.013 -0.465) 1.818 4.574 ( 13.340 -0.453 0.070) 13.348 4.592 ( 12.478 -0.318 0.427) 12.489 4.648 ( 3.113 -0.971 0.006) 3.261 4.673 ( 0.764 -0.591 -1.588) 1.858 4.700 ( 2.033 -1.117 0.137) 2.323 4.785 ( -0.342 0.050 0.776) 0.850 6.002 ( -3.333 0.435 -0.592) 3.413 6.069 ( -2.027 1.183 0.217) 2.357 6.092 ( -1.652 -0.770 0.226) 1.837 6.123 ( 0.027 -0.553 0.160) 0.577 7.157 ( 4.302 -0.168 0.092) 4.307 7.176 ( 3.347 -0.353 -0.179) 3.370 7.861 ( -3.377 0.275 -0.009) 3.388 7.863 ( -4.399 0.417 0.023) 4.419 12.247 ( -0.138 0.251 0.026) 0.288 12.254 ( 0.800 0.271 0.117) 0.853 12.661 ( -1.980 -2.096 -0.355) 2.905 12.679 ( -1.747 -1.238 -0.906) 2.325 12.768 ( -1.431 0.159 -0.191) 1.453 12.915 ( 1.543 0.369 2.357) 2.841 12.957 ( 0.368 4.685 -0.879) 4.781 13.154 ( -0.238 -3.149 -0.821) 3.263======================= Grid point 240 (101/171) =======================q-point: ( 0.80 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 504Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.595 ( 1.430 -2.452 -5.206) 5.929 0.893 ( -2.553 -0.268 -0.468) 2.609 1.092 ( 0.445 1.366 3.713) 3.981 1.163 ( -2.961 2.573 -2.896) 4.876 1.177 ( -4.216 0.678 0.513) 4.301 1.296 ( -0.215 -1.308 2.535) 2.861 1.427 ( 3.330 1.182 0.911) 3.649 1.444 ( -1.701 -0.934 0.634) 2.042 1.513 ( 10.295 -0.686 -4.237) 11.154 1.638 ( 1.828 0.598 4.845) 5.212 1.830 ( -1.556 -0.212 -3.449) 3.790 1.877 ( 6.262 1.548 4.234) 7.716 1.901 ( 3.193 2.789 -0.722) 4.301 2.012 ( 0.528 -1.919 -1.924) 2.769 2.159 ( 1.102 -0.635 -2.097) 2.453 2.207 ( 0.908 -3.344 -1.401) 3.737 2.338 ( -2.166 1.757 -1.137) 3.012 2.440 ( 0.352 -1.959 0.539) 2.062 2.518 ( 0.168 1.060 0.491) 1.180 2.629 ( 2.297 1.210 1.557) 3.028 2.707 ( -3.209 -0.007 0.392) 3.233 2.723 ( -3.297 -0.295 -0.528) 3.352 3.333 ( -29.993 0.104 -0.079) 29.993 3.355 ( -28.895 0.322 0.154) 28.898 4.287 ( 18.923 -0.332 -0.134) 18.927 4.322 ( 17.726 -0.017 0.258) 17.728 4.542 ( -0.799 0.954 0.329) 1.287 4.551 ( -1.005 0.715 -0.519) 1.338 4.600 ( 1.227 -1.429 -0.076) 1.885 4.654 ( 0.960 -0.419 -0.019) 1.047 4.683 ( -0.864 -0.928 -0.585) 1.397 4.792 ( 0.105 0.162 0.549) 0.581 6.054 ( -2.393 0.391 -0.418) 2.461 6.072 ( 0.565 -0.436 -0.262) 0.761 6.108 ( 1.122 -0.398 0.274) 1.222 6.147 ( -2.864 0.680 0.484) 2.983 7.099 ( 2.251 -0.176 -0.149) 2.263 7.135 ( 1.287 -0.066 0.161) 1.298 7.905 ( -1.650 0.074 -0.101) 1.655 7.922 ( -2.093 0.175 0.090) 2.102 12.240 ( 0.967 0.108 -0.080) 0.976 12.252 ( -0.044 0.314 0.052) 0.321 12.675 ( -1.741 -1.630 -0.203) 2.394 12.688 ( -0.960 -1.248 -0.956) 1.842 12.802 ( -1.434 0.840 0.737) 1.818 12.889 ( 1.824 -0.656 1.222) 2.291 12.985 ( 0.430 4.679 -0.909) 4.786 13.137 ( -0.830 -2.884 -0.330) 3.019======================= Grid point 241 (102/171) =======================q-point: (-0.10 0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.566 ( -2.529 -2.029 -2.361) 4.011 0.967 ( -5.131 1.114 -0.047) 5.251 1.050 ( 3.895 -0.992 0.530) 4.054 1.196 ( 8.182 -0.327 4.805) 9.494 1.280 ( -3.322 3.515 -0.648) 4.879 1.310 ( -0.681 -0.399 -0.433) 0.901 1.322 ( 1.884 0.204 -1.934) 2.707 1.355 ( 1.392 -3.106 -2.544) 4.249 1.455 ( 1.997 0.414 -0.357) 2.070 1.618 ( 2.036 0.466 0.410) 2.128 1.819 ( 0.905 0.815 1.684) 2.079 1.858 ( -0.444 0.543 3.715) 3.781 1.896 ( -3.338 0.085 -3.580) 4.896 2.010 ( -1.441 -0.914 -0.185) 1.716 2.121 ( 1.585 -0.955 -1.231) 2.223 2.201 ( -1.861 -1.151 -0.581) 2.264 2.383 ( -2.038 1.526 -0.599) 2.616 2.426 ( 0.366 -1.118 0.401) 1.243 2.524 ( -0.086 0.568 -0.001) 0.575 2.596 ( 2.483 0.440 0.670) 2.609 2.711 ( 2.426 -0.500 -0.169) 2.483 2.747 ( 0.531 -0.318 -0.043) 0.620 3.693 ( 1.487 0.013 0.001) 1.487 3.697 ( -0.338 0.041 0.023) 0.341 4.022 ( -1.427 -0.111 -0.160) 1.440 4.089 ( -0.449 0.256 0.198) 0.553 4.559 ( -0.390 1.359 0.043) 1.415 4.567 ( -0.192 0.827 -0.103) 0.855 4.583 ( -0.424 -1.514 -0.042) 1.573 4.647 ( -0.771 -0.497 0.238) 0.948 4.697 ( -1.368 -0.305 -0.404) 1.458 4.786 ( 0.827 0.140 0.156) 0.853 6.050 ( 1.350 -0.411 -0.035) 1.412 6.071 ( 1.419 -0.415 -0.091) 1.481 6.095 ( -0.670 0.289 -0.124) 0.740 6.191 ( -1.398 0.565 0.304) 1.538 7.078 ( 0.050 -0.075 -0.134) 0.161 7.131 ( -0.696 0.068 0.167) 0.719 7.918 ( 0.064 -0.018 -0.045) 0.080 7.936 ( 0.558 0.001 0.054) 0.560 12.225 ( 0.581 -0.048 -0.118) 0.595 12.253 ( 0.164 0.144 0.043) 0.223 12.687 ( -0.227 -0.539 -0.280) 0.649 12.701 ( -2.223 -0.847 -0.266) 2.394 12.825 ( -0.013 1.191 0.544) 1.309 12.858 ( 1.409 -1.226 0.529) 1.941 13.003 ( 0.301 2.987 -0.716) 3.086 13.138 ( -1.296 -1.742 0.043) 2.172======================= Grid point 247 (103/171) =======================q-point: ( 0.50 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.560 ( 0.000 7.830 10.323) 12.957 0.572 ( 0.000 11.445 6.446) 13.136 0.719 ( 0.000 8.725 6.267) 10.743 0.826 ( -0.000 7.252 0.893) 7.307 0.903 ( -0.000 6.743 -9.110) 11.333 1.017 ( 0.000 14.705 8.319) 16.895 1.147 ( -0.000 2.455 -9.514) 9.826 1.253 ( -0.000 2.374 -1.515) 2.817 1.358 ( 0.000 0.644 2.389) 2.474 1.465 ( -0.000 1.312 -2.463) 2.791 1.777 ( 0.000 -2.315 4.868) 5.390 1.853 ( 0.000 -5.685 2.844) 6.356 1.962 ( -0.000 -3.421 -4.766) 5.867 2.051 ( -0.000 -2.267 -8.966) 9.248 2.142 ( -0.000 4.066 0.371) 4.083 2.146 ( -0.000 1.992 0.131) 1.996 2.292 ( -0.000 3.928 -1.389) 4.167 2.315 ( 0.000 0.203 1.277) 1.293 2.333 ( -0.000 -1.757 -1.041) 2.042 2.367 ( -0.000 1.492 -1.975) 2.475 2.576 ( 0.000 -0.267 2.618) 2.632 2.623 ( 0.000 -0.160 2.589) 2.594 2.737 ( 0.000 -3.433 6.643) 7.477 2.929 ( -0.000 -4.352 -5.850) 7.291 4.452 ( 0.000 -2.518 -0.000) 2.518 4.455 ( 0.000 -2.374 -0.136) 2.378 4.652 ( 0.000 0.673 1.986) 2.097 4.735 ( -0.000 -0.053 -2.238) 2.238 4.791 ( 0.000 -0.644 0.446) 0.783 4.823 ( -0.000 -1.972 -0.971) 2.198 4.910 ( 0.000 0.454 0.751) 0.878 4.931 ( -0.000 -0.091 -0.201) 0.220 5.901 ( 0.000 -1.270 1.236) 1.772 5.930 ( 0.000 -1.399 -0.477) 1.478 6.071 ( -0.000 0.795 0.019) 0.795 6.079 ( -0.000 0.871 -0.588) 1.051 7.452 ( 0.000 -0.057 0.090) 0.106 7.455 ( 0.000 -0.107 -0.038) 0.113 7.556 ( -0.000 1.315 0.469) 1.397 7.567 ( -0.000 0.662 0.169) 0.683 12.258 ( 0.000 -0.001 0.381) 0.381 12.275 ( -0.000 -0.261 -0.507) 0.570 12.497 ( 0.000 2.009 1.560) 2.544 12.591 ( -0.000 2.483 -3.709) 4.464 12.751 ( 0.000 0.046 2.625) 2.625 12.864 ( -0.000 1.742 -3.183) 3.628 13.071 ( 0.000 -1.932 1.201) 2.274 13.112 ( -0.000 0.121 -1.161) 1.167======================= Grid point 248 (104/171) =======================q-point: ( 0.60 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.672 ( -0.960 5.454 5.205) 7.599 0.810 ( -6.855 7.755 3.337) 10.875 0.859 ( -3.773 5.978 7.454) 10.273 0.923 ( -3.493 4.682 -3.841) 6.991 1.048 ( -13.228 3.939 -3.093) 14.144 1.143 ( -2.484 3.021 -7.228) 8.219 1.209 ( -4.259 10.124 1.833) 11.135 1.364 ( -6.918 3.242 1.282) 7.747 1.416 ( -14.329 2.976 1.434) 14.705 1.554 ( -10.451 1.350 0.113) 10.538 1.766 ( 1.357 -1.544 5.367) 5.747 1.824 ( 0.833 -3.672 1.259) 3.970 1.935 ( -1.771 -3.268 -3.132) 4.861 1.980 ( 1.622 -2.084 -7.217) 7.685 2.144 ( 2.102 2.725 0.383) 3.463 2.187 ( -1.706 3.054 -1.330) 3.742 2.277 ( 2.795 0.496 -1.544) 3.232 2.326 ( -0.462 -0.261 0.747) 0.916 2.353 ( -2.873 1.611 0.667) 3.361 2.400 ( -3.116 2.524 -1.768) 4.383 2.588 ( -0.123 -0.095 3.044) 3.048 2.616 ( 2.013 -1.693 2.655) 3.737 2.705 ( 2.716 -2.860 2.104) 4.470 2.795 ( 6.886 -3.629 -2.576) 8.199 4.450 ( -1.581 -2.274 0.036) 2.770 4.454 ( -2.074 -2.053 -0.272) 2.931 4.668 ( -0.179 0.168 1.308) 1.331 4.727 ( 0.222 -0.208 -1.099) 1.141 4.780 ( 0.700 -0.562 0.143) 0.909 4.789 ( 1.793 -1.581 -0.533) 2.449 4.881 ( 3.905 -0.024 0.003) 3.905 4.903 ( 3.509 -0.328 0.001) 3.524 5.904 ( -1.395 -0.626 0.235) 1.547 5.952 ( -3.030 -1.019 -0.013) 3.197 6.071 ( -0.133 0.620 -0.254) 0.683 6.101 ( -1.237 0.350 0.088) 1.289 7.357 ( 7.173 -0.010 -0.006) 7.173 7.365 ( 6.613 -0.152 -0.035) 6.615 7.649 ( -6.837 0.753 0.017) 6.878 7.674 ( -7.105 0.572 0.342) 7.136 12.253 ( 0.531 -0.156 0.126) 0.568 12.270 ( 0.264 0.026 -0.076) 0.276 12.553 ( -3.575 0.972 0.708) 3.771 12.618 ( -2.446 1.073 -2.554) 3.696 12.763 ( -0.063 -0.628 1.850) 1.955 12.862 ( -0.491 1.760 -2.319) 2.953 13.016 ( 3.489 0.362 1.364) 3.764 13.155 ( -2.857 -1.507 -0.995) 3.380======================= Grid point 249 (105/171) =======================q-point: ( 0.70 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.682 ( 2.403 1.062 -1.565) 3.058 0.898 ( -0.008 2.888 -0.163) 2.892 0.971 ( -3.751 3.886 1.571) 5.625 1.012 ( -0.696 5.417 4.314) 6.960 1.136 ( -0.058 4.787 -3.825) 6.128 1.222 ( -3.875 3.352 -1.316) 5.290 1.364 ( -4.643 2.688 2.814) 6.058 1.418 ( -2.230 -0.837 -0.833) 2.524 1.696 ( -0.566 -1.775 5.909) 6.196 1.768 ( 1.423 -0.477 -0.425) 1.559 1.822 ( -6.082 0.245 -1.062) 6.179 1.886 ( -0.502 -1.083 -4.899) 5.043 1.942 ( -23.951 4.768 0.466) 24.425 1.987 ( -3.209 -0.824 1.881) 3.810 2.130 ( 1.663 4.954 -2.396) 5.749 2.217 ( 3.204 2.188 -2.167) 4.444 2.275 ( -11.563 -3.825 -0.102) 12.180 2.347 ( -4.819 -3.057 1.853) 6.000 2.431 ( -3.095 2.881 -0.981) 4.340 2.495 ( -5.881 2.429 -0.011) 6.363 2.534 ( 3.582 -2.996 -0.099) 4.671 2.606 ( -0.902 -0.796 1.401) 1.846 2.644 ( 0.696 -0.020 -1.415) 1.578 2.708 ( 1.180 -1.539 2.495) 3.160 4.474 ( -2.570 -1.357 0.291) 2.920 4.483 ( -2.605 -0.963 -0.460) 2.816 4.666 ( 0.273 -0.707 -0.012) 0.758 4.700 ( 2.592 -0.559 -0.164) 2.656 4.738 ( 3.288 -0.557 0.274) 3.346 4.767 ( 4.136 -0.571 0.960) 4.285 4.785 ( 2.947 -0.364 -0.935) 3.113 4.797 ( 8.293 -0.619 -0.207) 8.319 5.942 ( -3.087 -0.010 -0.218) 3.095 6.009 ( -3.680 0.220 0.217) 3.693 6.081 ( -0.695 -0.208 -0.172) 0.745 6.120 ( -0.763 -0.121 0.165) 0.790 7.247 ( 5.669 -0.120 0.294) 5.678 7.254 ( 5.700 -0.420 -0.404) 5.730 7.767 ( -6.163 0.613 -0.031) 6.194 7.786 ( -5.199 0.462 0.156) 5.222 12.246 ( 0.121 -0.071 0.004) 0.140 12.265 ( 0.571 0.275 0.132) 0.648 12.622 ( -3.754 -0.668 0.056) 3.813 12.651 ( -2.042 -0.547 -0.932) 2.310 12.755 ( -0.118 -1.235 -0.319) 1.281 12.899 ( -1.268 3.799 0.228) 4.011 12.973 ( 2.863 0.984 0.785) 3.127 13.166 ( -0.835 -2.644 -0.730) 2.868======================= Grid point 250 (106/171) =======================q-point: ( 0.80 0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.629 ( 2.583 -0.884 -2.187) 3.498 0.885 ( 1.159 -0.109 -0.251) 1.191 1.064 ( -0.841 3.418 2.210) 4.156 1.076 ( -4.737 2.887 0.060) 5.548 1.146 ( 0.880 2.756 -1.679) 3.345 1.286 ( -1.916 0.963 0.397) 2.180 1.422 ( -1.859 -2.228 1.354) 3.202 1.446 ( -0.730 1.632 -0.199) 1.798 1.679 ( 8.632 -0.024 -0.236) 8.635 1.696 ( 2.220 0.067 5.928) 6.331 1.787 ( -0.843 -1.355 -6.464) 6.658 1.919 ( 0.165 1.286 0.420) 1.363 1.992 ( 5.108 2.760 5.461) 7.970 2.041 ( 4.085 1.964 -5.370) 7.027 2.174 ( 1.475 0.051 -0.729) 1.646 2.272 ( -3.938 2.709 -0.314) 4.790 2.290 ( 3.190 -6.764 0.000) 7.479 2.451 ( -3.645 -4.185 -0.420) 5.565 2.510 ( -0.498 2.036 0.219) 2.107 2.609 ( -5.249 1.564 0.375) 5.490 2.624 ( -7.510 0.136 -0.016) 7.512 2.673 ( -1.047 1.256 0.552) 1.725 2.818 ( -25.075 -0.550 0.091) 25.081 2.839 ( -27.233 0.782 0.183) 27.244 4.513 ( -2.105 -0.211 0.314) 2.139 4.519 ( -1.888 0.148 -0.366) 1.929 4.574 ( 13.476 -0.488 0.033) 13.485 4.594 ( 12.937 -0.193 0.173) 12.939 4.649 ( 3.409 -1.246 0.158) 3.633 4.662 ( 0.196 -0.566 -0.738) 0.951 4.701 ( 1.949 -1.003 0.050) 2.193 4.789 ( -0.472 0.056 0.259) 0.541 5.999 ( -3.310 0.357 -0.205) 3.336 6.070 ( -1.580 1.095 0.034) 1.923 6.093 ( -2.303 -0.786 0.122) 2.437 6.124 ( 0.165 -0.409 0.054) 0.445 7.158 ( 4.393 -0.318 0.040) 4.404 7.175 ( 3.227 -0.186 -0.073) 3.233 7.861 ( -3.305 0.267 -0.004) 3.315 7.863 ( -4.442 0.415 0.009) 4.462 12.248 ( -0.168 0.246 0.014) 0.298 12.255 ( 0.876 0.270 0.041) 0.918 12.659 ( -2.073 -2.337 -0.076) 3.124 12.673 ( -1.477 -1.041 -0.426) 1.857 12.768 ( -1.871 0.188 0.006) 1.881 12.931 ( 2.154 0.341 1.183) 2.481 12.950 ( 0.033 4.786 -0.655) 4.831 13.149 ( -0.342 -3.183 -0.337) 3.219======================= Grid point 251 (107/171) =======================q-point: (-0.10 -0.70 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.572 ( 1.385 -2.738 -0.000) 3.068 0.891 ( -2.641 -0.360 0.000) 2.665 1.114 ( 2.864 0.848 -0.000) 2.987 1.144 ( -5.569 2.928 0.000) 6.291 1.179 ( -4.553 0.716 0.000) 4.609 1.309 ( -0.716 -0.711 0.000) 1.009 1.432 ( 3.697 0.909 -0.000) 3.807 1.447 ( -2.129 -0.962 0.000) 2.337 1.491 ( 11.934 -0.972 -0.000) 11.973 1.663 ( 3.232 1.024 -0.000) 3.391 1.810 ( -3.548 -0.736 0.000) 3.624 1.898 ( 3.697 2.989 -0.000) 4.754 1.901 ( 7.223 1.893 -0.000) 7.467 2.000 ( -0.442 -1.619 -0.000) 1.678 2.150 ( 1.066 -1.110 -0.000) 1.539 2.202 ( 0.791 -3.711 -0.000) 3.794 2.334 ( -2.147 1.834 0.000) 2.823 2.443 ( 0.181 -2.096 -0.000) 2.103 2.520 ( 0.350 1.276 0.000) 1.323 2.636 ( 2.320 1.326 -0.000) 2.672 2.709 ( -2.882 -0.329 0.000) 2.901 2.721 ( -3.545 -0.135 0.000) 3.548 3.332 ( -30.010 0.095 0.000) 30.010 3.355 ( -28.848 0.343 0.000) 28.850 4.287 ( 18.957 -0.348 -0.000) 18.961 4.323 ( 17.714 -0.003 -0.000) 17.714 4.544 ( -0.540 1.032 0.000) 1.165 4.548 ( -1.255 0.671 0.000) 1.423 4.599 ( 1.193 -1.515 -0.000) 1.928 4.654 ( 0.776 -0.242 -0.000) 0.813 4.681 ( -0.737 -1.075 -0.000) 1.303 4.794 ( 0.142 0.168 -0.000) 0.220 6.052 ( -2.480 0.342 0.000) 2.504 6.071 ( 0.650 -0.429 -0.000) 0.779 6.109 ( 1.148 -0.416 -0.000) 1.222 6.149 ( -2.904 0.746 0.000) 2.998 7.098 ( 2.275 -0.210 -0.000) 2.285 7.136 ( 1.249 -0.025 -0.000) 1.249 7.904 ( -1.643 0.068 0.000) 1.645 7.922 ( -2.104 0.181 0.000) 2.112 12.240 ( 1.008 0.088 -0.000) 1.011 12.252 ( -0.053 0.322 0.000) 0.326 12.675 ( -1.905 -1.918 0.000) 2.703 12.684 ( -0.795 -0.961 0.000) 1.248 12.805 ( -1.580 0.819 0.000) 1.779 12.894 ( 1.898 -0.664 -0.000) 2.011 12.981 ( 0.554 4.662 0.000) 4.695 13.136 ( -0.924 -2.862 -0.000) 3.007======================= Grid point 259 (108/171) =======================q-point: ( 0.60 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.630 ( 0.000 10.351 6.886) 12.432 0.648 ( 0.000 6.702 10.248) 12.245 0.731 ( -0.000 9.477 -3.203) 10.003 0.821 ( -0.000 6.086 -9.807) 11.542 0.872 ( -0.000 4.223 9.399) 10.304 1.059 ( 0.000 3.318 -10.878) 11.373 1.094 ( 0.000 12.803 9.209) 15.771 1.224 ( -0.000 5.334 -5.111) 7.388 1.384 ( 0.000 0.892 3.426) 3.540 1.441 ( -0.000 1.322 -3.004) 3.283 1.826 ( 0.000 -1.787 6.620) 6.857 1.877 ( -0.000 -5.223 2.736) 5.896 1.927 ( 0.000 -4.157 -3.522) 5.448 1.969 ( -0.000 -1.343 -9.723) 9.815 2.145 ( 0.000 3.659 0.300) 3.672 2.147 ( -0.000 2.429 0.088) 2.431 2.291 ( 0.000 2.851 0.917) 2.995 2.321 ( -0.000 -0.038 -1.819) 1.820 2.327 ( 0.000 -0.143 1.406) 1.413 2.352 ( -0.000 0.607 -1.636) 1.745 2.600 ( -0.000 0.733 2.860) 2.953 2.633 ( 0.000 0.951 -0.208) 0.974 2.790 ( -0.000 -4.467 5.683) 7.228 2.881 ( 0.000 -4.909 -5.435) 7.324 4.452 ( -0.000 -2.453 0.046) 2.453 4.454 ( 0.000 -2.373 -0.136) 2.377 4.671 ( -0.000 0.566 2.384) 2.450 4.715 ( 0.000 0.208 -2.527) 2.536 4.797 ( -0.000 -1.050 0.829) 1.338 4.814 ( -0.000 -1.741 -1.088) 2.053 4.917 ( 0.000 0.325 0.753) 0.820 4.928 ( -0.000 0.064 -0.463) 0.467 5.911 ( 0.000 -1.458 1.070) 1.809 5.926 ( -0.000 -1.471 -0.663) 1.613 6.071 ( 0.000 0.832 0.087) 0.836 6.075 ( -0.000 0.912 -0.388) 0.991 7.453 ( 0.000 -0.094 0.091) 0.131 7.454 ( -0.000 -0.121 -0.059) 0.134 7.560 ( 0.000 1.221 0.504) 1.321 7.567 ( -0.000 0.891 -0.188) 0.910 12.262 ( -0.000 -0.017 0.476) 0.476 12.271 ( -0.000 -0.155 -0.548) 0.570 12.513 ( 0.000 2.151 2.149) 3.041 12.560 ( -0.000 2.438 -3.364) 4.155 12.776 ( 0.000 0.339 3.250) 3.268 12.835 ( -0.000 1.112 -3.497) 3.669 13.081 ( -0.000 -1.180 1.215) 1.694 13.102 ( 0.000 -0.140 -1.171) 1.179======================= Grid point 260 (109/171) =======================q-point: ( 0.70 0.40 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.712 ( 1.844 2.852 3.410) 4.813 0.814 ( -4.073 7.646 -1.600) 8.810 0.893 ( -5.662 4.183 0.933) 7.101 0.936 ( -7.278 7.375 4.354) 11.239 1.031 ( -9.157 3.793 0.099) 9.912 1.078 ( -6.109 2.760 -6.789) 9.541 1.224 ( -3.600 10.130 1.092) 10.806 1.371 ( -6.394 3.561 0.441) 7.332 1.425 ( -14.350 2.910 0.513) 14.651 1.554 ( -11.716 1.633 -0.029) 11.830 1.812 ( 1.923 -2.532 3.732) 4.903 1.837 ( 2.042 -1.619 3.229) 4.149 1.895 ( 1.553 -1.574 -6.640) 6.999 1.938 ( -3.557 -3.326 -1.737) 5.171 2.147 ( 2.313 2.915 0.251) 3.730 2.178 ( -0.613 3.385 -0.738) 3.519 2.270 ( 2.677 -0.872 -0.248) 2.827 2.332 ( -1.181 -0.596 0.489) 1.410 2.357 ( -2.228 2.462 0.342) 3.338 2.387 ( -3.593 2.667 -0.951) 4.575 2.611 ( 0.629 0.120 1.801) 1.912 2.631 ( 0.937 0.030 0.831) 1.253 2.709 ( 6.406 -4.396 -0.465) 7.783 2.783 ( 3.435 -4.339 -0.405) 5.549 4.451 ( -1.750 -2.352 0.068) 2.932 4.453 ( -1.840 -1.908 -0.158) 2.656 4.677 ( 0.477 -0.145 0.700) 0.859 4.719 ( -0.583 0.140 -0.599) 0.847 4.781 ( 1.230 -0.945 0.113) 1.556 4.785 ( 1.142 -1.226 -0.284) 1.699 4.881 ( 4.172 -0.076 0.028) 4.173 4.902 ( 3.511 -0.242 -0.021) 3.519 5.905 ( -1.198 -0.772 0.086) 1.427 5.952 ( -3.159 -1.005 -0.005) 3.315 6.070 ( -0.124 0.598 -0.089) 0.617 6.101 ( -1.356 0.339 0.028) 1.398 7.357 ( 7.146 -0.031 -0.002) 7.146 7.365 ( 6.709 -0.136 -0.013) 6.710 7.649 ( -6.781 0.726 0.017) 6.819 7.676 ( -7.108 0.623 0.110) 7.136 12.254 ( 0.613 -0.224 0.053) 0.655 12.270 ( 0.142 0.150 -0.033) 0.210 12.559 ( -2.823 1.340 0.524) 3.169 12.601 ( -3.138 1.037 -1.195) 3.514 12.776 ( 1.038 -1.220 0.978) 1.877 12.847 ( -1.713 2.170 -1.125) 2.985 13.024 ( 3.491 0.534 0.491) 3.566 13.149 ( -2.776 -1.416 -0.384) 3.140======================= Grid point 261 (110/171) =======================q-point: (-0.20 -0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.675 ( 3.138 0.324 -0.000) 3.155 0.897 ( -0.248 3.021 0.000) 3.032 0.977 ( -3.020 3.542 0.000) 4.655 1.038 ( 0.067 5.831 0.000) 5.832 1.114 ( -1.193 4.305 0.000) 4.467 1.216 ( -4.397 3.886 0.000) 5.868 1.378 ( -5.248 3.190 0.000) 6.141 1.413 ( -1.769 -1.345 0.000) 2.222 1.741 ( -2.651 -3.523 0.000) 4.409 1.749 ( -0.508 0.733 0.000) 0.892 1.816 ( 4.630 -0.178 -0.000) 4.633 1.863 ( -6.840 0.166 0.000) 6.842 1.943 ( -23.900 4.757 0.000) 24.369 1.998 ( -4.807 -0.955 0.000) 4.901 2.117 ( 3.495 5.554 0.000) 6.562 2.209 ( 3.092 1.724 -0.000) 3.540 2.274 ( -12.715 -3.525 0.000) 13.195 2.357 ( -4.525 -3.543 0.000) 5.748 2.425 ( -2.195 3.213 0.000) 3.891 2.495 ( -6.329 2.582 0.000) 6.835 2.533 ( 4.193 -3.374 -0.000) 5.382 2.614 ( 0.988 -0.457 -0.000) 1.088 2.636 ( -1.605 -0.170 0.000) 1.614 2.719 ( 1.201 -1.664 -0.000) 2.052 4.476 ( -2.707 -1.556 0.000) 3.122 4.481 ( -2.468 -0.735 0.000) 2.575 4.666 ( 0.358 -0.771 -0.000) 0.850 4.699 ( 2.644 -0.608 -0.000) 2.713 4.740 ( 2.973 -0.510 -0.000) 3.017 4.774 ( 7.754 -0.658 -0.000) 7.782 4.779 ( -0.685 -0.267 0.000) 0.735 4.796 ( 8.478 -0.572 -0.000) 8.498 5.941 ( -3.043 -0.065 0.000) 3.044 6.009 ( -3.717 0.245 0.000) 3.725 6.080 ( -0.725 -0.249 0.000) 0.766 6.121 ( -0.761 -0.113 0.000) 0.769 7.249 ( 5.287 -0.188 -0.000) 5.290 7.251 ( 6.086 -0.345 -0.000) 6.096 7.767 ( -6.168 0.607 0.000) 6.198 7.786 ( -5.161 0.461 0.000) 5.182 12.246 ( 0.120 -0.081 -0.000) 0.145 12.265 ( 0.568 0.300 -0.000) 0.642 12.622 ( -3.617 -0.639 0.000) 3.673 12.647 ( -2.227 -0.446 0.000) 2.271 12.754 ( 0.001 -1.386 -0.000) 1.386 12.899 ( -1.451 4.115 0.000) 4.364 12.976 ( 2.911 0.790 -0.000) 3.017 13.162 ( -0.841 -2.628 -0.000) 2.759======================= Grid point 267 (111/171) =======================q-point: ( 0.30 0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.703 ( -0.550 0.000 5.002) 5.032 0.888 ( 8.807 -0.000 -5.095) 10.175 0.974 ( 2.736 0.000 1.792) 3.271 1.057 ( -3.481 -0.000 -1.739) 3.892 1.189 ( 9.440 0.000 1.305) 9.529 1.236 ( 8.574 0.000 -1.508) 8.706 1.465 ( -4.825 0.000 4.944) 6.908 1.475 ( -4.938 0.000 1.421) 5.138 1.487 ( -0.008 0.000 3.049) 3.049 1.642 ( -5.553 -0.000 -1.591) 5.777 1.811 ( -1.574 -0.000 -1.003) 1.866 1.828 ( -5.849 -0.000 -0.192) 5.853 1.975 ( 0.225 -0.000 -3.830) 3.836 1.979 ( -2.980 -0.000 -2.243) 3.730 2.154 ( 2.449 0.000 3.969) 4.663 2.243 ( 0.309 -0.000 -0.408) 0.512 2.404 ( -0.160 0.000 1.018) 1.031 2.463 ( -1.886 0.000 1.038) 2.153 2.535 ( 0.315 -0.000 -1.086) 1.131 2.547 ( -1.993 -0.000 0.298) 2.015 2.649 ( 6.104 0.000 1.633) 6.319 2.694 ( 4.942 0.000 -0.601) 4.978 3.322 ( 29.951 0.000 0.723) 29.959 3.357 ( 28.438 0.000 -0.983) 28.455 4.308 ( -18.874 -0.000 0.598) 18.883 4.332 ( -18.555 -0.000 -0.511) 18.562 4.562 ( 0.892 0.000 0.199) 0.914 4.565 ( 0.890 0.000 0.065) 0.892 4.609 ( -2.649 -0.000 0.460) 2.689 4.655 ( -2.775 -0.000 -1.689) 3.248 4.741 ( -1.016 0.000 1.257) 1.616 4.767 ( 0.670 -0.000 -0.152) 0.687 6.024 ( 1.898 0.000 0.195) 1.908 6.031 ( 2.405 0.000 -0.110) 2.408 6.123 ( -0.119 0.000 1.449) 1.454 6.183 ( 0.176 -0.000 -1.487) 1.497 7.107 ( -2.184 0.000 0.887) 2.357 7.145 ( -2.454 -0.000 -1.056) 2.672 7.901 ( 2.197 0.000 0.015) 2.197 7.903 ( 2.846 0.000 -0.076) 2.847 12.231 ( -0.214 0.000 0.542) 0.583 12.247 ( 0.121 -0.000 -0.279) 0.304 12.706 ( 0.405 0.000 1.654) 1.703 12.745 ( -1.849 0.000 0.501) 1.915 12.795 ( 1.557 -0.000 -2.048) 2.572 12.797 ( 0.824 -0.000 -1.398) 1.623 13.057 ( -0.179 0.000 2.576) 2.583 13.134 ( -0.562 -0.000 -1.483) 1.586======================= Grid point 271 (112/171) =======================q-point: (-0.30 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.687 ( -0.000 9.906 -6.016) 11.589 0.687 ( 0.000 9.906 6.016) 11.589 0.736 ( -0.000 5.695 -9.972) 11.483 0.736 ( 0.000 5.695 9.972) 11.483 0.963 ( -0.000 3.892 -11.302) 11.953 0.963 ( 0.000 3.892 11.302) 11.953 1.168 ( -0.000 9.105 -7.703) 11.926 1.168 ( 0.000 9.105 7.703) 11.926 1.414 ( -0.000 1.122 -3.168) 3.360 1.414 ( 0.000 1.122 3.168) 3.360 1.890 ( -0.000 -1.321 -8.409) 8.512 1.890 ( 0.000 -1.321 8.409) 8.512 1.900 ( -0.000 -4.685 -2.633) 5.374 1.900 ( 0.000 -4.685 2.633) 5.374 2.147 ( -0.000 3.006 -0.034) 3.007 2.147 ( -0.000 3.006 0.034) 3.007 2.304 ( -0.000 1.663 -1.890) 2.518 2.304 ( 0.000 1.663 1.890) 2.518 2.339 ( -0.000 -0.119 -1.346) 1.351 2.339 ( 0.000 -0.119 1.346) 1.351 2.622 ( -0.000 1.307 -2.157) 2.522 2.622 ( 0.000 1.307 2.157) 2.522 2.836 ( -0.000 -5.043 -5.169) 7.222 2.836 ( 0.000 -5.043 5.169) 7.222 4.453 ( 0.000 -2.401 -0.096) 2.403 4.453 ( 0.000 -2.401 0.096) 2.403 4.693 ( -0.000 0.416 -2.540) 2.574 4.693 ( 0.000 0.416 2.540) 2.574 4.805 ( -0.000 -1.429 -1.047) 1.772 4.805 ( 0.000 -1.429 1.047) 1.772 4.923 ( -0.000 0.201 -0.601) 0.634 4.923 ( 0.000 0.201 0.601) 0.634 5.919 ( -0.000 -1.505 -0.727) 1.672 5.919 ( 0.000 -1.505 0.727) 1.672 6.073 ( -0.000 0.880 -0.098) 0.886 6.073 ( 0.000 0.880 0.098) 0.886 7.454 ( -0.000 -0.118 -0.066) 0.135 7.454 ( 0.000 -0.118 0.066) 0.135 7.564 ( -0.000 1.084 -0.260) 1.114 7.564 ( 0.000 1.084 0.260) 1.114 12.266 ( -0.000 -0.069 -0.513) 0.518 12.266 ( 0.000 -0.069 0.513) 0.518 12.534 ( -0.000 2.307 -2.715) 3.563 12.534 ( 0.000 2.307 2.715) 3.563 12.805 ( -0.000 0.658 -3.493) 3.555 12.805 ( 0.000 0.658 3.493) 3.555 13.092 ( -0.000 -0.581 -0.771) 0.966 13.092 ( 0.000 -0.581 0.771) 0.966======================= Grid point 278 (113/171) =======================q-point: ( 0.30 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.750 ( 1.640 -0.564 9.640) 9.795 0.961 ( 1.247 4.996 -2.106) 5.563 0.989 ( -0.417 -1.435 -5.009) 5.227 1.038 ( 3.180 -4.335 -2.322) 5.856 1.311 ( -1.585 1.518 1.479) 2.646 1.338 ( 6.130 0.400 0.320) 6.151 1.368 ( -7.015 -0.867 3.304) 7.803 1.445 ( -0.232 0.587 0.795) 1.016 1.477 ( 1.399 0.588 -0.377) 1.564 1.559 ( -2.000 -0.522 -3.657) 4.201 1.782 ( 0.327 0.427 2.517) 2.574 1.834 ( 3.333 0.235 1.594) 3.701 1.922 ( -0.994 1.538 -1.571) 2.413 1.975 ( -0.215 -2.569 -3.081) 4.017 2.203 ( 1.745 0.350 3.398) 3.836 2.250 ( 0.416 -0.603 1.560) 1.724 2.411 ( 0.526 0.220 0.887) 1.054 2.430 ( -1.867 1.490 1.996) 3.113 2.517 ( -1.388 -0.544 -1.013) 1.802 2.536 ( 0.739 -0.215 -3.041) 3.137 2.726 ( 1.623 -0.163 0.836) 1.833 2.746 ( 1.048 -0.372 -0.300) 1.152 3.693 ( 1.062 0.015 0.030) 1.063 3.695 ( 0.238 0.018 -0.094) 0.257 4.038 ( -1.258 0.060 1.018) 1.619 4.070 ( -0.851 0.037 -1.134) 1.418 4.558 ( -0.512 1.430 0.062) 1.520 4.573 ( 0.064 0.495 0.199) 0.538 4.590 ( -0.334 -0.634 0.550) 0.904 4.626 ( -0.252 -1.260 -1.069) 1.672 4.729 ( -0.961 0.167 1.665) 1.930 4.770 ( -0.046 -0.074 -1.098) 1.102 6.055 ( 1.549 -0.023 0.293) 1.576 6.069 ( 1.792 -0.686 -0.320) 1.945 6.117 ( -1.354 0.291 1.600) 2.116 6.163 ( -1.387 0.395 -1.714) 2.240 7.090 ( -0.137 0.127 0.769) 0.791 7.116 ( -0.439 -0.165 -0.857) 0.977 7.922 ( 0.244 0.065 0.246) 0.352 7.931 ( 0.440 -0.090 -0.270) 0.524 12.235 ( 0.405 0.075 0.543) 0.682 12.248 ( 0.219 0.090 -0.345) 0.419 12.708 ( -0.905 0.363 0.981) 1.383 12.726 ( -1.380 -1.867 1.385) 2.704 12.791 ( 0.308 1.176 -1.253) 1.745 12.816 ( 1.149 -0.882 -2.072) 2.528 13.049 ( -0.066 3.971 1.872) 4.390 13.131 ( -0.587 -2.798 -0.530) 2.907======================= Grid point 279 (114/171) =======================q-point: ( 0.40 0.60 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.748 ( 1.982 -0.000 5.430) 5.780 0.842 ( 6.501 0.000 -5.489) 8.508 0.993 ( 0.911 -0.000 2.511) 2.671 1.039 ( -2.249 0.000 -2.483) 3.351 1.201 ( 9.366 0.000 1.413) 9.472 1.224 ( 9.108 -0.000 -1.309) 9.201 1.488 ( -4.123 -0.000 1.470) 4.377 1.501 ( -0.694 0.000 0.994) 1.212 1.513 ( -5.883 -0.000 5.444) 8.015 1.612 ( -6.136 0.000 -4.923) 7.866 1.818 ( -0.895 -0.000 2.220) 2.394 1.834 ( -4.747 0.000 1.259) 4.911 1.944 ( 0.142 -0.000 -3.017) 3.020 1.955 ( -2.450 0.000 -3.210) 4.038 2.186 ( 2.403 0.000 3.546) 4.283 2.234 ( 1.554 -0.000 -1.773) 2.358 2.419 ( -0.432 -0.000 2.383) 2.422 2.461 ( -0.678 0.000 -1.494) 1.640 2.532 ( -1.483 -0.000 0.574) 1.590 2.546 ( -2.347 0.000 -0.409) 2.382 2.663 ( 5.711 -0.000 1.645) 5.943 2.687 ( 5.131 0.000 -1.015) 5.231 3.330 ( 29.622 0.000 0.948) 29.637 3.348 ( 28.811 -0.000 -1.109) 28.832 4.314 ( -18.827 0.000 0.719) 18.841 4.327 ( -18.678 0.000 -0.678) 18.690 4.564 ( 0.890 -0.000 0.167) 0.905 4.566 ( 0.886 0.000 -0.007) 0.886 4.615 ( -2.536 -0.000 1.026) 2.736 4.640 ( -2.619 -0.000 -1.718) 3.132 4.751 ( -0.692 0.000 1.086) 1.288 4.765 ( 0.189 -0.000 -0.456) 0.493 6.025 ( 1.990 -0.000 0.239) 2.004 6.030 ( 2.255 0.000 -0.202) 2.264 6.137 ( -0.099 0.000 1.758) 1.761 6.169 ( 0.059 -0.000 -1.765) 1.766 7.115 ( -2.231 -0.000 1.088) 2.483 7.136 ( -2.372 0.000 -1.193) 2.655 7.901 ( 2.352 0.000 0.036) 2.352 7.902 ( 2.693 -0.000 -0.073) 2.694 12.235 ( -0.124 0.000 0.565) 0.579 12.244 ( 0.052 -0.000 -0.402) 0.406 12.722 ( 0.298 -0.000 1.968) 1.991 12.747 ( -1.424 0.000 -0.241) 1.444 12.780 ( 1.541 0.000 -1.260) 1.991 12.785 ( 0.591 -0.000 -1.225) 1.360 13.079 ( -0.096 -0.000 2.621) 2.623 13.120 ( -0.312 0.000 -1.984) 2.008======================= Grid point 289 (115/171) =======================q-point: ( 0.30 -0.30 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.821 ( 1.089 0.555 8.884) 8.968 0.914 ( -0.898 2.208 0.307) 2.403 0.987 ( 0.823 -0.542 -3.995) 4.115 1.105 ( 0.680 -3.000 -3.530) 4.682 1.227 ( -2.888 4.461 1.952) 5.662 1.300 ( -4.197 -0.258 2.915) 5.117 1.362 ( -1.797 0.384 -3.127) 3.627 1.390 ( -1.718 -2.302 -3.437) 4.479 1.549 ( 5.301 2.632 0.116) 5.920 1.595 ( 4.607 -0.234 -0.691) 4.664 1.824 ( 3.036 1.454 3.020) 4.522 1.885 ( 3.600 2.220 -2.111) 4.727 1.933 ( 0.523 -2.036 2.387) 3.181 1.996 ( 3.318 -2.717 -2.442) 4.935 2.243 ( 2.171 1.438 2.546) 3.642 2.280 ( 0.684 -1.561 1.957) 2.595 2.397 ( -0.624 2.394 1.944) 3.146 2.431 ( 1.034 -0.197 1.598) 1.914 2.497 ( -1.246 -1.172 -0.689) 1.844 2.536 ( 0.909 -0.092 -4.728) 4.816 2.703 ( -3.827 1.218 0.033) 4.016 2.735 ( -2.885 -0.537 0.182) 2.940 3.338 ( -29.670 0.283 0.265) 29.673 3.347 ( -29.473 0.041 -0.341) 29.475 4.296 ( 18.505 -0.094 0.488) 18.512 4.309 ( 17.980 -0.231 -0.616) 17.992 4.537 ( -1.034 0.974 -0.046) 1.421 4.562 ( -1.005 0.300 0.225) 1.072 4.607 ( 1.709 -0.448 0.340) 1.799 4.645 ( 1.456 -1.565 -0.417) 2.178 4.722 ( -0.684 -0.063 2.055) 2.167 4.759 ( -0.464 -0.020 -1.831) 1.889 6.074 ( -0.246 0.407 0.842) 0.967 6.088 ( -1.041 0.408 0.582) 1.260 6.094 ( -0.147 -0.065 -0.355) 0.389 6.122 ( -2.007 -0.553 -1.147) 2.377 7.106 ( 1.932 0.341 0.254) 1.978 7.128 ( 1.725 -0.647 -0.266) 1.861 7.910 ( -1.739 0.184 0.231) 1.764 7.917 ( -1.971 0.065 -0.219) 1.984 12.244 ( 0.506 0.376 0.129) 0.644 12.250 ( 0.150 0.148 -0.099) 0.233 12.693 ( -1.299 -0.833 0.784) 1.731 12.718 ( -2.119 -1.846 0.388) 2.837 12.789 ( 0.532 0.554 0.877) 1.166 12.830 ( 1.023 -0.396 -2.614) 2.834 13.016 ( -0.416 4.998 0.778) 5.075 13.147 ( -0.101 -3.169 0.221) 3.178======================= Grid point 290 (116/171) =======================q-point: ( 0.40 0.70 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 3.161 0.347 9.378) 9.902 0.909 ( 5.035 2.103 -8.311) 9.942 0.971 ( -3.096 0.796 -0.384) 3.219 1.028 ( 0.927 -4.535 -0.505) 4.656 1.321 ( 0.928 1.835 0.738) 2.185 1.339 ( 4.034 -0.053 -0.061) 4.035 1.399 ( -5.976 -0.308 3.854) 7.117 1.434 ( -5.110 -0.201 -3.163) 6.014 1.482 ( 1.801 2.457 1.256) 3.295 1.531 ( -0.063 -1.789 -2.445) 3.031 1.811 ( 0.943 0.878 3.696) 3.914 1.839 ( 1.966 0.394 -1.131) 2.302 1.914 ( 0.765 0.955 -0.018) 1.224 1.949 ( -0.380 -2.610 -2.341) 3.526 2.227 ( 1.646 1.201 1.846) 2.749 2.255 ( 1.319 -1.351 -0.158) 1.894 2.422 ( 0.153 2.021 1.177) 2.344 2.444 ( -0.659 0.029 1.160) 1.335 2.501 ( -0.735 0.713 -2.010) 2.256 2.521 ( -1.535 -1.745 -0.592) 2.399 2.733 ( 1.190 0.127 0.586) 1.333 2.743 ( 1.411 -0.608 -0.382) 1.584 3.694 ( 0.769 0.027 0.046) 0.771 3.694 ( 0.567 0.001 -0.070) 0.571 4.047 ( -1.116 0.294 1.008) 1.532 4.060 ( -1.044 -0.207 -1.054) 1.498 4.559 ( -0.519 1.456 0.037) 1.546 4.574 ( 0.079 0.369 0.072) 0.384 4.594 ( -0.413 -0.024 0.379) 0.561 4.619 ( -0.024 -1.777 -0.578) 1.869 4.742 ( -0.568 0.567 1.277) 1.508 4.760 ( -0.534 -0.440 -1.067) 1.272 6.057 ( 1.673 0.187 0.187) 1.693 6.067 ( 1.657 -0.850 -0.209) 1.874 6.131 ( -1.391 0.335 1.822) 2.317 6.148 ( -1.363 0.292 -1.853) 2.319 7.097 ( -0.266 0.423 0.627) 0.802 7.109 ( -0.293 -0.469 -0.660) 0.861 7.924 ( 0.339 0.177 0.183) 0.424 7.929 ( 0.360 -0.204 -0.192) 0.456 12.240 ( 0.315 0.186 0.456) 0.585 12.245 ( 0.281 -0.005 -0.380) 0.473 12.715 ( -1.080 0.543 0.449) 1.289 12.735 ( -1.442 -2.183 0.693) 2.706 12.784 ( 0.847 1.222 -0.341) 1.525 12.802 ( 0.901 -0.760 -1.144) 1.642 13.061 ( -0.228 4.677 0.788) 4.749 13.127 ( -0.347 -3.503 -0.298) 3.533======================= Grid point 291 (117/171) =======================q-point: ( 0.50 0.70 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.795 ( 4.331 -0.589 -0.000) 4.371 0.795 ( 4.331 0.589 0.000) 4.371 1.016 ( -0.786 -0.543 0.000) 0.955 1.016 ( -0.786 0.543 0.000) 0.955 1.213 ( 9.270 -0.742 -0.000) 9.300 1.213 ( 9.270 0.742 -0.000) 9.300 1.499 ( -2.653 -0.003 0.000) 2.653 1.499 ( -2.653 0.003 0.000) 2.653 1.564 ( -6.016 -0.109 0.000) 6.017 1.564 ( -6.016 0.109 0.000) 6.017 1.837 ( -2.323 -0.289 0.000) 2.341 1.837 ( -2.323 0.289 0.000) 2.341 1.934 ( -1.260 -3.180 -0.000) 3.421 1.934 ( -1.260 3.180 0.000) 3.421 2.214 ( 2.172 -0.370 -0.000) 2.203 2.214 ( 2.172 0.370 0.000) 2.203 2.441 ( -0.335 -0.884 0.000) 0.946 2.441 ( -0.335 0.884 0.000) 0.946 2.540 ( -2.325 -1.716 0.000) 2.890 2.540 ( -2.325 1.716 0.000) 2.890 2.677 ( 5.382 -0.004 -0.000) 5.382 2.677 ( 5.382 0.004 -0.000) 5.382 3.338 ( 29.225 -0.009 -0.000) 29.225 3.338 ( 29.225 0.009 -0.000) 29.225 4.320 ( -18.765 -0.093 0.000) 18.765 4.320 ( -18.765 0.093 0.000) 18.765 4.565 ( 0.886 -0.213 -0.000) 0.911 4.565 ( 0.886 0.213 -0.000) 0.911 4.626 ( -2.532 -0.253 0.000) 2.545 4.626 ( -2.532 0.253 0.000) 2.545 4.759 ( -0.277 -0.802 -0.000) 0.849 4.759 ( -0.277 0.802 0.000) 0.849 6.028 ( 2.111 -0.632 -0.000) 2.203 6.028 ( 2.111 0.632 -0.000) 2.203 6.153 ( -0.038 -0.000 -0.000) 0.038 6.153 ( -0.038 0.000 0.000) 0.038 7.125 ( -2.295 -0.128 0.000) 2.299 7.125 ( -2.295 0.128 0.000) 2.299 7.902 ( 2.523 -0.187 -0.000) 2.530 7.902 ( 2.523 0.187 -0.000) 2.530 12.240 ( -0.032 -0.010 0.000) 0.034 12.240 ( -0.032 0.010 0.000) 0.034 12.738 ( -0.260 -0.797 -0.000) 0.839 12.738 ( -0.260 0.797 0.000) 0.839 12.777 ( 0.779 -0.839 -0.000) 1.145 12.777 ( 0.779 0.839 0.000) 1.145 13.101 ( -0.144 -3.677 -0.000) 3.680 13.101 ( -0.144 3.677 0.000) 3.680======================= Grid point 300 (118/171) =======================q-point: ( 0.30 -0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.839 ( -1.041 2.749 3.985) 4.951 0.898 ( 1.736 4.291 -1.712) 4.936 0.989 ( -4.363 1.473 2.894) 5.439 1.022 ( -2.798 0.711 -3.623) 4.633 1.228 ( 0.334 3.485 1.059) 3.658 1.251 ( 0.873 -0.455 -0.434) 1.076 1.314 ( -1.790 1.052 -1.691) 2.677 1.396 ( 0.157 -3.740 -1.059) 3.891 1.603 ( 2.817 2.905 0.975) 4.162 1.652 ( 2.855 -0.146 -1.918) 3.443 1.888 ( 4.085 -0.949 1.388) 4.418 1.924 ( 0.237 1.370 0.225) 1.409 1.955 ( 2.651 -1.712 -0.519) 3.198 2.101 ( 5.983 -0.314 -0.189) 5.995 2.254 ( -0.325 3.952 1.243) 4.156 2.276 ( -6.144 -3.891 -0.212) 7.276 2.406 ( 1.195 1.538 6.328) 6.621 2.454 ( 1.775 0.747 -4.397) 4.800 2.500 ( 0.116 -2.300 2.171) 3.165 2.528 ( -0.568 -1.259 -3.911) 4.148 2.594 ( -6.629 2.608 -0.072) 7.123 2.660 ( -5.658 0.453 0.110) 5.677 2.813 ( -29.066 0.244 -0.040) 29.067 2.822 ( -27.299 0.353 -0.217) 27.302 4.505 ( -2.097 0.002 -0.037) 2.098 4.531 ( -1.175 -0.136 0.083) 1.186 4.573 ( 12.949 -0.169 0.058) 12.950 4.580 ( 11.245 -0.784 -0.210) 11.275 4.652 ( 2.624 -0.318 0.109) 2.645 4.695 ( 3.056 -1.752 -0.077) 3.524 4.728 ( 0.552 -0.150 2.272) 2.343 4.747 ( 0.421 -0.077 -2.082) 2.125 6.025 ( -3.733 1.004 0.650) 3.920 6.051 ( -2.823 0.739 -0.630) 2.986 6.092 ( 0.243 0.074 0.088) 0.269 6.117 ( -0.490 -1.357 -0.112) 1.448 7.155 ( 4.077 0.272 -0.024) 4.086 7.180 ( 3.701 -0.865 0.058) 3.801 7.861 ( -3.849 0.313 -0.004) 3.862 7.862 ( -4.055 0.424 -0.002) 4.077 12.248 ( 0.242 0.289 0.118) 0.395 12.250 ( 0.233 0.256 -0.168) 0.385 12.678 ( -2.995 -1.299 0.585) 3.317 12.688 ( -1.382 -1.699 -0.329) 2.215 12.806 ( 0.104 0.079 2.757) 2.760 12.836 ( 1.186 -0.433 -3.179) 3.421 12.974 ( -0.145 5.067 0.220) 5.074 13.173 ( 0.134 -3.098 0.247) 3.110======================= Grid point 301 (119/171) =======================q-point: ( 0.40 -0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.871 ( -0.330 0.696 0.000) 0.770 0.910 ( 0.369 5.518 0.000) 5.531 0.965 ( 1.947 -3.512 -0.000) 4.015 1.088 ( 0.256 -3.640 -0.000) 3.649 1.236 ( -3.207 5.145 0.000) 6.063 1.318 ( -5.060 0.923 0.000) 5.144 1.347 ( -2.092 -0.004 0.000) 2.092 1.370 ( -1.328 -3.581 -0.000) 3.819 1.550 ( 6.129 3.002 -0.000) 6.825 1.590 ( 4.023 -0.193 -0.000) 4.027 1.846 ( 1.756 1.598 -0.000) 2.374 1.867 ( 4.576 1.705 -0.000) 4.884 1.947 ( -1.162 -2.299 -0.000) 2.576 1.982 ( 5.275 -2.390 -0.000) 5.792 2.254 ( 2.309 1.677 -0.000) 2.854 2.288 ( 0.608 -1.792 -0.000) 1.893 2.405 ( 0.783 3.053 0.000) 3.151 2.446 ( -0.290 0.119 0.000) 0.314 2.494 ( 0.529 -0.662 -0.000) 0.847 2.509 ( -0.976 -1.425 -0.000) 1.727 2.703 ( -3.862 1.320 0.000) 4.081 2.735 ( -2.858 -0.556 0.000) 2.912 3.339 ( -29.509 0.412 0.000) 29.512 3.345 ( -29.665 -0.099 0.000) 29.665 4.299 ( 18.409 0.084 -0.000) 18.409 4.305 ( 18.060 -0.405 -0.000) 18.065 4.537 ( -1.051 0.982 0.000) 1.439 4.563 ( -1.030 0.235 0.000) 1.057 4.609 ( 1.790 -0.256 -0.000) 1.808 4.643 ( 1.466 -1.726 -0.000) 2.265 4.736 ( -0.147 0.325 0.000) 0.356 4.746 ( -1.010 -0.367 0.000) 1.075 6.079 ( 0.629 0.145 -0.000) 0.645 6.088 ( -0.135 0.458 0.000) 0.478 6.096 ( -2.480 0.887 0.000) 2.634 6.116 ( -1.438 -1.299 0.000) 1.938 7.107 ( 1.859 0.478 -0.000) 1.919 7.126 ( 1.812 -0.792 -0.000) 1.978 7.911 ( -1.753 0.248 0.000) 1.771 7.916 ( -1.952 0.001 0.000) 1.952 12.244 ( 0.411 0.451 -0.000) 0.610 12.249 ( 0.214 0.085 -0.000) 0.230 12.697 ( -1.171 -0.734 0.000) 1.382 12.719 ( -2.434 -1.782 0.000) 3.016 12.797 ( 1.270 0.257 -0.000) 1.296 12.815 ( 0.515 -0.245 -0.000) 0.570 13.020 ( -0.505 5.054 0.000) 5.079 13.148 ( -0.017 -3.216 -0.000) 3.216======================= Grid point 310 (120/171) =======================q-point: ( 0.30 -0.10 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.755 ( -5.495 8.438 0.000) 10.069 0.826 ( -6.638 5.659 0.000) 8.723 0.881 ( -0.030 7.070 0.000) 7.070 1.037 ( 0.993 -2.430 -0.000) 2.625 1.182 ( -1.326 5.133 0.000) 5.302 1.259 ( -2.489 3.468 0.000) 4.269 1.293 ( 2.523 1.483 -0.000) 2.927 1.417 ( -0.738 -2.307 -0.000) 2.422 1.611 ( -0.743 1.362 0.000) 1.552 1.690 ( -0.846 -2.361 -0.000) 2.508 1.847 ( -10.130 1.015 0.000) 10.181 1.922 ( -26.202 3.056 0.000) 26.380 1.990 ( 5.018 -3.470 -0.000) 6.101 2.007 ( 0.464 -1.828 -0.000) 1.886 2.162 ( -4.737 5.638 0.000) 7.364 2.252 ( 3.086 -4.022 -0.000) 5.070 2.330 ( -13.414 -3.803 0.000) 13.943 2.425 ( -0.547 0.248 0.000) 0.601 2.429 ( -4.669 2.307 0.000) 5.208 2.498 ( 0.319 1.856 0.000) 1.883 2.512 ( -0.021 -0.068 -0.000) 0.071 2.541 ( -3.796 2.060 0.000) 4.319 2.575 ( -5.472 -1.471 0.000) 5.666 2.683 ( 8.164 -0.659 -0.000) 8.190 4.470 ( -2.351 -1.267 0.000) 2.671 4.495 ( -2.836 -1.349 0.000) 3.140 4.666 ( -0.762 0.063 0.000) 0.764 4.715 ( 4.019 -0.175 -0.000) 4.023 4.720 ( 3.620 -1.174 -0.000) 3.806 4.751 ( 2.010 -0.527 -0.000) 2.078 4.802 ( 6.396 -1.124 -0.000) 6.494 4.805 ( 6.347 -0.348 -0.000) 6.357 5.954 ( -3.747 0.689 0.000) 3.810 5.997 ( -3.065 -0.173 0.000) 3.070 6.090 ( -0.251 0.389 0.000) 0.463 6.111 ( -0.962 -0.412 0.000) 1.047 7.241 ( 6.102 0.142 -0.000) 6.104 7.264 ( 5.234 -0.769 -0.000) 5.290 7.773 ( -5.818 0.787 0.000) 5.871 7.774 ( -5.904 0.392 0.000) 5.917 12.248 ( 0.067 0.140 0.000) 0.155 12.258 ( 0.673 -0.068 -0.000) 0.676 12.621 ( -4.324 -0.838 0.000) 4.405 12.687 ( -0.851 -2.166 -0.000) 2.327 12.781 ( -2.429 1.774 0.000) 3.007 12.876 ( 2.970 -1.806 -0.000) 3.476 12.946 ( 0.929 4.442 0.000) 4.538 13.193 ( -0.712 -2.958 -0.000) 3.042======================= Grid point 320 (121/171) =======================q-point: ( 0.30 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.573 ( 0.000 13.607 0.000) 13.607 0.659 ( 0.000 10.414 0.000) 10.414 0.700 ( 0.000 6.131 0.000) 6.131 1.037 ( 0.000 7.029 0.000) 7.029 1.109 ( 0.000 18.189 0.000) 18.189 1.117 ( -0.000 -5.664 -0.000) 5.664 1.240 ( 0.000 11.332 0.000) 11.332 1.316 ( -0.000 -1.732 -0.000) 1.732 1.343 ( 0.000 2.427 0.000) 2.427 1.496 ( -0.000 -0.265 -0.000) 0.265 1.675 ( -0.000 -3.134 -0.000) 3.134 1.699 ( -0.000 -6.754 -0.000) 6.754 2.036 ( -0.000 -3.212 -0.000) 3.212 2.108 ( -0.000 -4.271 -0.000) 4.271 2.176 ( 0.000 3.059 0.000) 3.059 2.177 ( 0.000 2.676 0.000) 2.676 2.294 ( -0.000 -3.315 -0.000) 3.315 2.317 ( 0.000 2.615 0.000) 2.615 2.421 ( 0.000 1.208 0.000) 1.208 2.465 ( 0.000 2.204 0.000) 2.204 2.514 ( -0.000 -0.391 -0.000) 0.391 2.519 ( -0.000 -0.099 -0.000) 0.099 2.558 ( -0.000 -1.471 -0.000) 1.471 2.945 ( -0.000 -6.996 -0.000) 6.996 4.413 ( -0.000 -2.551 -0.000) 2.551 4.419 ( -0.000 -2.562 -0.000) 2.562 4.641 ( 0.000 1.329 0.000) 1.329 4.753 ( -0.000 -1.392 -0.000) 1.392 4.789 ( -0.000 -0.199 -0.000) 0.199 4.806 ( -0.000 -1.724 -0.000) 1.724 4.909 ( 0.000 0.588 0.000) 0.588 4.925 ( -0.000 -0.281 -0.000) 0.281 5.876 ( -0.000 -0.009 -0.000) 0.009 5.917 ( -0.000 -1.329 -0.000) 1.329 6.083 ( 0.000 0.746 0.000) 0.746 6.097 ( 0.000 0.225 0.000) 0.225 7.451 ( 0.000 0.036 0.000) 0.036 7.454 ( -0.000 -0.062 -0.000) 0.062 7.565 ( 0.000 0.618 0.000) 0.618 7.568 ( 0.000 1.080 0.000) 1.080 12.253 ( 0.000 0.072 0.000) 0.072 12.275 ( -0.000 -0.557 -0.000) 0.557 12.508 ( 0.000 2.270 0.000) 2.270 12.669 ( -0.000 -1.817 -0.000) 1.817 12.718 ( 0.000 2.775 0.000) 2.775 12.971 ( 0.000 4.072 0.000) 4.072 12.985 ( -0.000 -4.731 -0.000) 4.731 13.126 ( -0.000 -0.793 -0.000) 0.793======================= Grid point 321 (122/171) =======================q-point: ( 0.40 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.729 ( -5.294 10.781 0.591) 12.025 0.790 ( -3.659 5.710 1.174) 6.882 0.860 ( -9.099 5.277 0.905) 10.557 1.045 ( 2.218 -3.322 -1.396) 4.231 1.203 ( -5.189 7.595 -1.940) 9.401 1.255 ( -1.603 7.350 2.055) 7.799 1.341 ( 1.219 3.217 -1.381) 3.707 1.380 ( -5.093 1.296 0.071) 5.256 1.419 ( -17.203 3.895 0.526) 17.646 1.551 ( -11.101 0.750 0.232) 11.129 1.664 ( -2.364 -3.005 0.152) 3.827 1.676 ( -2.011 -5.529 2.198) 6.281 1.993 ( 1.257 -1.919 -1.413) 2.694 2.040 ( 3.514 -3.610 -0.834) 5.107 2.185 ( 1.599 4.289 0.134) 4.579 2.219 ( -2.569 0.481 -0.322) 2.634 2.272 ( 0.638 -2.945 0.274) 3.025 2.372 ( -3.574 3.312 0.054) 4.873 2.422 ( 0.884 0.195 -0.677) 1.130 2.482 ( -2.396 -0.140 -1.949) 3.092 2.503 ( 0.024 -1.385 -1.331) 1.921 2.526 ( -0.375 0.360 2.030) 2.096 2.558 ( 1.012 1.765 3.687) 4.211 2.812 ( 7.755 -5.428 -0.999) 9.519 4.419 ( -2.010 -1.823 -0.042) 2.714 4.426 ( -3.095 -2.081 0.032) 3.729 4.657 ( -0.543 1.209 0.181) 1.338 4.735 ( 0.671 -1.703 -0.107) 1.834 4.767 ( 2.202 -0.127 -0.093) 2.208 4.781 ( 1.601 -0.936 -0.043) 1.855 4.886 ( 3.299 -0.015 -0.262) 3.309 4.891 ( 3.724 -0.328 0.268) 3.748 5.900 ( -2.620 0.294 -0.055) 2.637 5.935 ( -2.959 -1.185 0.034) 3.188 6.089 ( -0.168 0.581 -0.194) 0.635 6.101 ( -0.340 0.146 0.114) 0.387 7.359 ( 7.259 0.106 -0.024) 7.259 7.364 ( 6.682 -0.117 -0.009) 6.683 7.663 ( -7.098 0.499 -0.309) 7.122 7.668 ( -7.082 0.529 0.440) 7.115 12.251 ( 0.253 0.145 -0.019) 0.292 12.266 ( 0.486 -0.396 0.079) 0.632 12.555 ( -3.072 1.340 0.165) 3.355 12.656 ( -0.609 -2.598 -0.235) 2.679 12.760 ( -1.705 3.300 -0.297) 3.726 12.915 ( 2.804 -2.783 -0.558) 3.990 12.995 ( 0.906 3.910 0.661) 4.068 13.143 ( -2.015 -2.716 -0.193) 3.387======================= Grid point 322 (123/171) =======================q-point: ( 0.50 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.836 ( -0.874 4.711 -4.476) 6.557 0.917 ( -4.015 3.916 0.258) 5.614 0.959 ( -0.877 2.585 2.173) 3.489 1.009 ( -0.596 -0.343 1.187) 1.372 1.242 ( 0.728 1.499 -0.370) 1.707 1.288 ( 1.705 2.405 -1.118) 3.153 1.332 ( 1.513 2.299 2.657) 3.826 1.393 ( 1.414 -1.616 0.661) 2.247 1.621 ( -1.387 0.537 -1.996) 2.489 1.692 ( -0.495 0.383 4.976) 5.015 1.856 ( -10.975 0.526 -0.557) 11.002 1.913 ( -11.860 -3.384 -0.575) 12.347 1.964 ( -6.880 0.710 -2.101) 7.229 2.005 ( -7.942 1.034 1.638) 8.175 2.199 ( 4.787 -2.817 -0.100) 5.555 2.253 ( -9.308 5.401 -0.591) 10.777 2.261 ( -3.743 -3.000 -0.287) 4.805 2.394 ( -0.044 -0.193 -5.204) 5.208 2.467 ( -3.055 0.848 0.601) 3.227 2.505 ( -2.769 1.164 -0.013) 3.004 2.540 ( -2.949 -1.189 1.444) 3.492 2.550 ( -4.175 0.204 0.409) 4.200 2.587 ( -1.602 1.385 3.048) 3.711 2.655 ( 4.412 -2.402 -0.349) 5.036 4.457 ( -3.199 -0.435 -0.025) 3.229 4.474 ( -3.629 -1.226 -0.010) 3.830 4.669 ( 0.308 0.397 -0.409) 0.648 4.704 ( 2.247 -0.760 0.321) 2.394 4.715 ( 3.835 -0.101 -0.182) 3.841 4.742 ( 2.804 -0.761 0.415) 2.935 4.791 ( 6.874 -0.263 -0.117) 6.880 4.798 ( 6.074 -0.419 -0.174) 6.091 5.961 ( -3.948 0.546 -0.762) 4.058 5.992 ( -4.124 -0.565 0.667) 4.215 6.093 ( -0.035 0.265 -0.559) 0.620 6.109 ( -0.279 -0.163 0.496) 0.592 7.244 ( 6.012 0.212 0.010) 6.015 7.254 ( 5.609 -0.492 -0.113) 5.632 7.778 ( -5.949 0.353 -0.243) 5.964 7.784 ( -5.650 0.306 0.327) 5.668 12.249 ( 0.027 0.135 -0.247) 0.283 12.259 ( 0.329 -0.016 0.406) 0.522 12.616 ( -3.088 0.154 -0.082) 3.093 12.653 ( -1.243 -1.936 -0.160) 2.306 12.794 ( -0.458 1.024 -2.647) 2.875 12.871 ( 1.354 -0.389 3.012) 3.325 13.012 ( 0.478 4.480 -0.263) 4.513 13.140 ( -0.696 -3.850 -0.493) 3.944======================= Grid point 323 (124/171) =======================q-point: ( 0.60 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.816 ( 1.917 1.251 -9.196) 9.477 0.907 ( 1.312 -0.864 -1.780) 2.374 1.013 ( -0.607 2.017 2.957) 3.631 1.080 ( -3.603 0.927 3.537) 5.133 1.247 ( -0.217 -0.335 -0.262) 0.478 1.258 ( 1.558 2.063 -2.746) 3.771 1.345 ( -0.411 -0.126 3.193) 3.222 1.373 ( -0.709 -1.836 5.582) 5.919 1.614 ( 1.726 0.800 -1.604) 2.488 1.690 ( 4.209 0.805 2.404) 4.913 1.873 ( 2.055 0.549 -0.741) 2.252 1.907 ( -0.536 -1.403 -1.134) 1.882 1.989 ( 4.216 4.257 0.785) 6.042 2.065 ( 6.231 -4.714 0.887) 7.863 2.253 ( -3.357 0.792 -1.300) 3.687 2.265 ( 0.588 0.270 -3.096) 3.162 2.378 ( -0.816 1.415 -4.984) 5.245 2.423 ( -1.981 -3.081 -3.012) 4.742 2.493 ( 0.363 0.277 2.717) 2.755 2.571 ( -0.826 0.164 5.517) 5.581 2.630 ( -5.558 2.091 -0.108) 5.940 2.654 ( -5.145 -1.050 -0.146) 5.253 2.816 ( -27.365 0.157 -0.235) 27.366 2.831 ( -28.308 0.165 0.797) 28.320 4.511 ( -2.756 0.580 -0.034) 2.817 4.524 ( -2.716 -0.573 -0.001) 2.776 4.570 ( 13.230 -0.114 -0.127) 13.231 4.578 ( 12.327 -0.127 0.546) 12.340 4.647 ( 3.045 -0.023 -0.787) 3.145 4.676 ( 2.717 -0.895 0.709) 2.947 4.705 ( 0.640 -0.111 -2.437) 2.522 4.763 ( 0.032 -0.012 1.796) 1.796 6.026 ( -3.669 0.330 -1.407) 3.944 6.067 ( -3.976 0.148 1.341) 4.199 6.088 ( 0.362 -0.065 -0.646) 0.743 6.109 ( 0.374 -0.291 0.664) 0.816 7.159 ( 4.122 0.213 -0.216) 4.133 7.170 ( 3.618 -0.416 0.154) 3.645 7.865 ( -3.609 0.145 -0.048) 3.612 7.866 ( -4.082 0.114 0.040) 4.083 12.251 ( -0.137 0.130 -0.063) 0.199 12.254 ( 0.459 0.124 0.187) 0.511 12.652 ( -1.926 -0.783 -1.113) 2.359 12.674 ( -1.946 -0.592 0.143) 2.039 12.787 ( -0.210 0.137 -1.926) 1.942 12.865 ( 1.517 0.096 3.533) 3.846 13.045 ( -0.160 4.871 -0.729) 4.928 13.114 ( -0.384 -4.220 -0.665) 4.289======================= Grid point 324 (125/171) =======================q-point: ( 0.70 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.732 ( 2.336 -0.000 -11.075) 11.319 0.907 ( -2.739 -0.000 -1.299) 3.032 1.044 ( 0.251 0.000 3.386) 3.395 1.119 ( 2.110 0.000 6.637) 6.964 1.248 ( -2.823 -0.000 -4.022) 4.915 1.258 ( -2.074 -0.000 -1.765) 2.723 1.398 ( -3.865 0.000 3.326) 5.099 1.408 ( 0.705 0.000 4.147) 4.206 1.572 ( 2.112 0.000 1.325) 2.493 1.585 ( 7.518 -0.000 -2.344) 7.875 1.826 ( 4.309 0.000 0.431) 4.330 1.894 ( 1.434 -0.000 -2.904) 3.239 1.931 ( 3.927 0.000 1.578) 4.232 1.979 ( 0.874 0.000 1.604) 1.827 2.223 ( 2.250 -0.000 -3.936) 4.533 2.242 ( 0.463 -0.000 -4.140) 4.166 2.392 ( -1.940 -0.000 -2.975) 3.552 2.416 ( 0.182 -0.000 -0.500) 0.532 2.502 ( -0.404 0.000 1.943) 1.985 2.580 ( 1.734 0.000 4.850) 5.150 2.714 ( -2.769 -0.000 -0.501) 2.814 2.724 ( -3.311 -0.000 -0.136) 3.314 3.337 ( -29.870 -0.000 -0.289) 29.871 3.351 ( -29.103 -0.000 0.444) 29.106 4.290 ( 18.656 0.000 -0.487) 18.663 4.314 ( 17.791 0.000 0.684) 17.804 4.553 ( -1.452 -0.000 -0.042) 1.453 4.557 ( -1.352 -0.000 0.052) 1.353 4.598 ( 1.755 -0.000 -1.061) 2.051 4.638 ( 1.641 0.000 0.992) 1.917 4.703 ( -1.023 -0.000 -2.088) 2.325 4.774 ( -0.202 0.000 1.583) 1.596 6.074 ( 0.941 -0.000 -0.508) 1.070 6.075 ( -2.441 -0.000 -1.468) 2.848 6.097 ( 1.025 0.000 0.617) 1.197 6.135 ( -2.939 0.000 1.499) 3.299 7.104 ( 2.083 -0.000 -0.558) 2.156 7.127 ( 1.459 0.000 0.598) 1.577 7.909 ( -1.663 -0.000 -0.285) 1.688 7.920 ( -1.934 -0.000 0.266) 1.952 12.244 ( 0.739 -0.000 -0.260) 0.783 12.253 ( 0.054 0.000 0.178) 0.186 12.677 ( -1.995 -0.000 -1.205) 2.331 12.696 ( -1.006 -0.000 -0.908) 1.355 12.794 ( -0.740 0.000 0.476) 0.880 12.849 ( 1.747 0.000 2.595) 3.128 13.060 ( 0.412 -0.000 -2.014) 2.056 13.105 ( -1.114 0.000 0.279) 1.148======================= Grid point 332 (126/171) =======================q-point: ( 0.40 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.589 ( -0.000 12.746 3.483) 13.213 0.668 ( -0.000 10.311 2.016) 10.506 0.714 ( 0.000 6.091 3.384) 6.968 1.016 ( -0.000 8.138 -3.998) 9.067 1.087 ( -0.000 -3.431 -6.149) 7.041 1.136 ( -0.000 16.661 5.141) 17.436 1.258 ( -0.000 9.166 3.377) 9.768 1.315 ( -0.000 0.510 -1.024) 1.144 1.330 ( -0.000 0.292 -1.830) 1.853 1.494 ( -0.000 -0.293 -0.549) 0.623 1.682 ( 0.000 -3.014 1.704) 3.463 1.711 ( 0.000 -6.384 2.658) 6.916 2.016 ( -0.000 -2.777 -4.201) 5.036 2.097 ( -0.000 -4.109 -2.520) 4.820 2.177 ( -0.000 3.052 0.194) 3.058 2.180 ( -0.000 2.480 0.528) 2.536 2.295 ( 0.000 -3.151 0.279) 3.163 2.319 ( -0.000 2.561 0.435) 2.597 2.418 ( -0.000 1.354 -0.598) 1.481 2.440 ( -0.000 4.176 -4.853) 6.403 2.518 ( 0.000 -1.942 0.949) 2.161 2.531 ( 0.000 -0.834 3.658) 3.751 2.589 ( 0.000 -1.505 5.399) 5.605 2.933 ( -0.000 -6.814 -2.761) 7.352 4.413 ( 0.000 -2.537 0.033) 2.538 4.419 ( 0.000 -2.550 -0.001) 2.550 4.644 ( 0.000 1.296 0.645) 1.448 4.751 ( -0.000 -1.239 -0.512) 1.341 4.788 ( -0.000 -0.210 -0.285) 0.354 4.804 ( 0.000 -1.745 -0.369) 1.783 4.910 ( -0.000 0.549 0.213) 0.589 4.926 ( 0.000 -0.293 0.175) 0.342 5.877 ( 0.000 -0.110 0.334) 0.351 5.916 ( 0.000 -1.332 -0.191) 1.346 6.083 ( -0.000 0.738 -0.022) 0.739 6.095 ( -0.000 0.271 -0.245) 0.365 7.451 ( -0.000 0.024 -0.002) 0.024 7.454 ( -0.000 -0.070 -0.035) 0.078 7.567 ( 0.000 0.563 0.370) 0.673 7.569 ( -0.000 1.057 0.119) 1.064 12.254 ( 0.000 0.074 0.149) 0.166 12.275 ( 0.000 -0.522 -0.117) 0.535 12.510 ( -0.000 2.281 0.563) 2.349 12.664 ( -0.000 -1.109 -1.369) 1.762 12.721 ( -0.000 2.187 0.699) 2.296 12.945 ( -0.000 0.462 -3.799) 3.827 13.008 ( 0.000 -1.110 3.071) 3.265 13.125 ( -0.000 -0.686 -0.379) 0.784======================= Grid point 333 (127/171) =======================q-point: ( 0.50 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.735 ( -3.684 8.886 0.407) 9.628 0.814 ( -3.571 6.068 4.587) 8.403 0.875 ( -8.689 5.233 2.530) 10.454 1.023 ( 0.937 -2.471 -3.630) 4.490 1.180 ( -7.328 6.351 -3.142) 10.194 1.276 ( 0.273 7.617 1.477) 7.763 1.321 ( -0.027 4.007 -2.254) 4.598 1.382 ( -4.235 1.961 0.392) 4.683 1.428 ( -16.798 2.598 1.522) 17.065 1.554 ( -11.493 0.189 0.459) 11.504 1.673 ( -1.968 -3.162 1.877) 4.171 1.705 ( -1.768 -3.932 4.441) 6.189 1.971 ( 0.559 -1.476 -3.460) 3.803 2.025 ( 3.102 -3.406 -2.759) 5.370 2.187 ( 1.499 4.109 0.332) 4.387 2.214 ( -1.865 0.343 -0.645) 2.003 2.276 ( 0.382 -2.615 0.636) 2.718 2.372 ( -2.726 3.360 -0.155) 4.329 2.409 ( 2.128 2.159 -2.179) 3.733 2.459 ( -1.952 2.009 -2.228) 3.579 2.511 ( -1.211 -3.315 2.128) 4.121 2.541 ( 0.471 0.047 1.924) 1.982 2.600 ( 0.091 -0.341 5.295) 5.307 2.795 ( 7.294 -5.306 -2.843) 9.458 4.418 ( -2.093 -1.899 -0.088) 2.827 4.427 ( -2.953 -1.933 0.057) 3.530 4.660 ( -0.326 1.059 0.514) 1.222 4.733 ( 0.686 -1.195 -0.310) 1.413 4.766 ( 1.976 -0.701 -0.154) 2.103 4.780 ( 1.368 -0.686 -0.202) 1.544 4.884 ( 3.611 -0.011 -0.295) 3.623 4.894 ( 3.656 -0.333 0.313) 3.684 5.899 ( -2.411 0.119 -0.137) 2.418 5.936 ( -3.142 -1.105 0.082) 3.332 6.087 ( -0.019 0.545 -0.396) 0.674 6.102 ( -0.547 0.180 0.187) 0.605 7.358 ( 7.247 0.079 -0.061) 7.248 7.364 ( 6.729 -0.118 -0.025) 6.730 7.660 ( -6.987 0.540 -0.228) 7.012 7.672 ( -7.136 0.411 0.559) 7.169 12.251 ( 0.368 0.062 -0.032) 0.374 12.267 ( 0.350 -0.269 0.193) 0.482 12.558 ( -2.890 1.384 0.497) 3.242 12.652 ( -0.605 -2.030 -0.822) 2.272 12.756 ( -1.251 2.467 -0.537) 2.818 12.907 ( 1.180 -1.517 -1.293) 2.316 13.005 ( 1.720 2.944 1.500) 3.725 13.140 ( -1.872 -2.509 -0.526) 3.175======================= Grid point 334 (128/171) =======================q-point: ( 0.60 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.788 ( 0.643 3.070 -6.313) 7.049 0.921 ( -0.566 1.857 0.671) 2.054 0.985 ( -2.665 3.859 3.594) 5.909 1.019 ( -1.468 1.353 1.324) 2.396 1.241 ( -0.795 0.099 0.082) 0.805 1.271 ( 2.711 3.542 -2.860) 5.298 1.358 ( 0.688 2.937 2.899) 4.184 1.403 ( 0.153 -1.350 1.855) 2.299 1.613 ( -1.039 -0.310 0.410) 1.160 1.736 ( 0.238 1.028 4.800) 4.914 1.849 ( -10.359 0.357 -1.200) 10.434 1.904 ( -7.547 -3.419 -1.588) 8.436 1.953 ( -8.292 0.513 -0.435) 8.319 2.014 ( -12.701 2.138 0.380) 12.886 2.195 ( 3.093 -3.576 -1.007) 4.834 2.245 ( -5.199 5.754 -1.113) 7.834 2.264 ( -3.752 -3.232 0.842) 5.023 2.347 ( 1.101 0.866 -5.376) 5.555 2.474 ( -4.132 1.398 0.778) 4.431 2.506 ( -1.775 0.970 0.343) 2.052 2.540 ( -2.443 -0.184 -1.361) 2.803 2.553 ( -5.870 -1.263 1.086) 6.102 2.626 ( -0.084 0.091 4.939) 4.941 2.651 ( 2.730 -1.939 -0.750) 3.431 4.457 ( -3.272 -0.581 -0.024) 3.324 4.474 ( -3.524 -0.996 -0.040) 3.662 4.665 ( 0.490 0.056 -0.469) 0.681 4.703 ( 2.723 0.045 -0.530) 2.775 4.717 ( 2.984 -0.858 0.750) 3.194 4.746 ( 3.386 -0.525 0.621) 3.483 4.790 ( 6.836 -0.275 -0.217) 6.845 4.796 ( 5.758 -0.385 -0.385) 5.784 5.953 ( -3.729 0.272 -0.878) 3.841 5.999 ( -4.378 -0.348 0.726) 4.451 6.088 ( -0.018 0.176 -0.580) 0.606 6.113 ( -0.352 -0.090 0.478) 0.600 7.244 ( 5.965 0.157 0.032) 5.967 7.253 ( 5.640 -0.438 -0.198) 5.661 7.776 ( -6.043 0.356 -0.175) 6.056 7.786 ( -5.486 0.260 0.308) 5.500 12.247 ( -0.011 0.058 -0.182) 0.192 12.262 ( 0.380 0.079 0.444) 0.590 12.615 ( -2.712 -0.042 -0.132) 2.715 12.651 ( -1.346 -1.500 -0.348) 2.045 12.771 ( -0.317 0.332 -2.466) 2.508 12.899 ( 0.530 0.472 3.300) 3.376 13.009 ( 0.727 4.090 -0.532) 4.188 13.134 ( -0.571 -3.731 -0.847) 3.868======================= Grid point 335 (129/171) =======================q-point: ( 0.70 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.734 ( 2.743 0.421 -9.401) 9.803 0.894 ( 1.483 -0.473 -1.320) 2.041 1.043 ( -0.284 1.909 3.960) 4.405 1.100 ( -4.274 1.288 1.344) 4.662 1.231 ( 2.345 1.747 -3.168) 4.312 1.255 ( -0.518 -1.013 1.554) 1.926 1.368 ( -1.143 -0.789 2.223) 2.621 1.425 ( -0.765 0.151 5.877) 5.928 1.610 ( 1.469 0.350 1.040) 1.834 1.699 ( 6.333 0.391 -0.324) 6.354 1.873 ( 0.983 1.056 -0.780) 1.640 1.894 ( -0.376 -1.374 -0.473) 1.502 1.997 ( 4.186 4.378 1.085) 6.154 2.072 ( 6.398 -4.241 0.581) 7.698 2.232 ( 1.206 0.524 -3.688) 3.916 2.239 ( -0.802 -0.125 -2.529) 2.656 2.340 ( -1.822 1.535 -3.845) 4.524 2.404 ( -3.793 -3.469 -1.491) 5.352 2.514 ( 0.554 0.666 2.254) 2.415 2.607 ( -4.007 0.161 2.609) 4.784 2.631 ( -4.986 1.742 0.246) 5.287 2.656 ( -3.026 -0.820 0.899) 3.262 2.815 ( -26.929 0.045 -0.162) 26.930 2.838 ( -28.156 0.226 0.804) 28.169 4.511 ( -2.834 0.364 0.000) 2.857 4.524 ( -2.647 -0.289 -0.037) 2.663 4.569 ( 13.529 -0.133 -0.032) 13.529 4.583 ( 12.321 -0.125 0.625) 12.338 4.640 ( 3.252 -0.312 -0.695) 3.340 4.681 ( 2.445 -0.374 0.001) 2.473 4.686 ( 0.733 -0.412 -1.587) 1.796 4.776 ( -0.252 -0.002 1.309) 1.333 6.015 ( -3.581 0.213 -1.149) 3.767 6.077 ( -3.944 0.299 1.015) 4.084 6.084 ( 0.128 -0.206 -0.469) 0.528 6.114 ( 0.369 -0.203 0.544) 0.688 7.157 ( 4.259 0.041 -0.214) 4.265 7.171 ( 3.424 -0.235 0.139) 3.435 7.864 ( -3.432 0.114 -0.051) 3.435 7.867 ( -4.229 0.135 0.040) 4.231 12.250 ( -0.247 0.129 -0.007) 0.279 12.256 ( 0.666 0.121 0.164) 0.697 12.643 ( -1.768 -0.877 -0.950) 2.190 12.672 ( -1.629 -0.518 -0.498) 1.780 12.775 ( -1.135 0.166 -0.843) 1.424 12.894 ( 1.969 0.133 3.264) 3.814 13.037 ( -0.005 4.796 -0.969) 4.892 13.107 ( -0.580 -4.185 -0.947) 4.330======================= Grid point 336 (130/171) =======================q-point: ( 0.80 0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.643 ( 2.354 -0.000 -9.542) 9.828 0.897 ( -2.938 -0.000 -1.093) 3.135 1.074 ( 0.652 0.000 3.665) 3.723 1.165 ( -1.131 0.000 3.696) 3.865 1.215 ( -3.025 -0.000 -3.648) 4.739 1.256 ( -0.083 0.000 1.505) 1.507 1.422 ( -3.508 0.000 2.142) 4.110 1.433 ( 3.250 0.000 1.761) 3.697 1.552 ( 8.696 -0.000 -5.093) 10.077 1.597 ( 0.709 0.000 4.486) 4.542 1.848 ( 5.391 0.000 4.204) 6.837 1.865 ( 0.692 -0.000 -3.875) 3.936 1.937 ( 4.181 0.000 -0.005) 4.181 1.989 ( 0.278 0.000 0.506) 0.578 2.187 ( 2.180 -0.000 -4.385) 4.897 2.207 ( 0.031 -0.000 -3.663) 3.663 2.369 ( -2.252 -0.000 -2.216) 3.160 2.417 ( -0.117 0.000 0.438) 0.453 2.517 ( 0.100 0.000 1.518) 1.521 2.616 ( 2.233 0.000 3.470) 4.127 2.710 ( -2.723 -0.000 -0.400) 2.752 2.722 ( -3.448 -0.000 -0.301) 3.461 3.335 ( -29.962 -0.000 -0.187) 29.963 3.355 ( -28.902 -0.000 0.342) 28.904 4.287 ( 18.825 0.000 -0.324) 18.828 4.319 ( 17.661 0.000 0.520) 17.668 4.553 ( -1.527 -0.000 0.054) 1.528 4.557 ( -1.301 -0.000 0.002) 1.301 4.590 ( 1.745 -0.000 -0.812) 1.924 4.645 ( 1.543 0.000 0.734) 1.709 4.687 ( -1.154 -0.000 -1.640) 2.005 4.786 ( -0.047 0.000 1.098) 1.099 6.064 ( -2.453 -0.000 -1.076) 2.678 6.070 ( 0.876 -0.000 -0.352) 0.944 6.102 ( 1.112 0.000 0.477) 1.210 6.146 ( -3.018 0.000 1.091) 3.209 7.100 ( 2.178 0.000 -0.399) 2.214 7.132 ( 1.318 0.000 0.439) 1.389 7.907 ( -1.623 -0.000 -0.212) 1.637 7.922 ( -1.992 -0.000 0.193) 2.002 12.242 ( 0.920 -0.000 -0.205) 0.943 12.254 ( -0.013 0.000 0.125) 0.126 12.668 ( -2.026 -0.000 -0.936) 2.232 12.687 ( -0.785 -0.000 -1.050) 1.311 12.801 ( -1.382 0.000 0.956) 1.680 12.870 ( 2.082 0.000 2.123) 2.973 13.044 ( 0.786 -0.000 -1.792) 1.957 13.106 ( -1.471 -0.000 -0.078) 1.473======================= Grid point 344 (131/171) =======================q-point: ( 0.50 0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.627 ( 0.000 10.362 5.096) 11.548 0.693 ( -0.000 10.034 3.755) 10.713 0.760 ( 0.000 6.235 7.241) 9.555 0.977 ( -0.000 8.176 -4.816) 9.489 1.024 ( -0.000 -1.462 -8.294) 8.422 1.186 ( 0.000 15.330 6.206) 16.538 1.264 ( -0.000 5.305 -5.049) 7.324 1.300 ( -0.000 4.916 1.460) 5.129 1.335 ( 0.000 -1.421 1.938) 2.403 1.486 ( -0.000 -0.329 -1.280) 1.321 1.705 ( 0.000 -2.639 3.623) 4.482 1.740 ( 0.000 -5.558 3.929) 6.806 1.972 ( -0.000 -2.100 -5.793) 6.162 2.065 ( -0.000 -3.664 -4.962) 6.168 2.179 ( -0.000 3.027 0.372) 3.050 2.185 ( -0.000 2.184 0.687) 2.289 2.298 ( 0.000 -2.646 0.373) 2.672 2.324 ( -0.000 2.411 0.750) 2.525 2.396 ( -0.000 5.515 -4.914) 7.387 2.410 ( -0.000 1.709 -1.212) 2.095 2.536 ( 0.000 -2.017 3.065) 3.669 2.570 ( 0.000 -1.485 4.909) 5.128 2.636 ( 0.000 -2.825 5.179) 5.900 2.900 ( -0.000 -6.434 -4.964) 8.126 4.413 ( 0.000 -2.503 0.066) 2.504 4.419 ( 0.000 -2.517 -0.029) 2.517 4.652 ( 0.000 1.199 1.250) 1.732 4.744 ( -0.000 -0.832 -1.049) 1.339 4.785 ( -0.000 -0.295 -0.333) 0.445 4.800 ( 0.000 -1.780 -0.609) 1.881 4.912 ( 0.000 0.444 0.386) 0.588 4.927 ( 0.000 -0.296 0.173) 0.342 5.881 ( 0.000 -0.364 0.579) 0.683 5.914 ( 0.000 -1.334 -0.367) 1.384 6.082 ( -0.000 0.717 -0.023) 0.718 6.093 ( -0.000 0.378 -0.388) 0.542 7.451 ( 0.000 -0.009 0.002) 0.009 7.453 ( -0.000 -0.089 -0.061) 0.108 7.570 ( -0.000 0.991 0.220) 1.015 7.571 ( 0.000 0.461 0.499) 0.679 12.256 ( 0.000 0.074 0.275) 0.284 12.273 ( -0.000 -0.427 -0.216) 0.479 12.517 ( 0.000 2.307 1.128) 2.568 12.646 ( -0.000 0.251 -2.613) 2.625 12.731 ( 0.000 1.091 1.722) 2.039 12.911 ( -0.000 -0.204 -4.102) 4.107 13.033 ( 0.000 -0.409 2.738) 2.769 13.120 ( -0.000 -0.429 -0.731) 0.848======================= Grid point 345 (132/171) =======================q-point: ( 0.60 0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.736 ( -1.257 6.145 0.104) 6.273 0.864 ( -3.217 5.938 6.631) 9.465 0.902 ( -6.992 5.017 3.627) 9.339 0.989 ( -1.815 -0.380 -3.551) 4.006 1.149 ( -9.659 5.219 -3.915) 11.656 1.256 ( 0.874 4.685 -5.536) 7.305 1.326 ( -1.168 7.538 2.696) 8.090 1.388 ( -2.460 2.079 0.887) 3.341 1.442 ( -16.427 1.592 1.588) 16.580 1.558 ( -12.250 -0.378 0.382) 12.261 1.697 ( -0.891 -2.812 3.775) 4.791 1.748 ( -1.669 -2.239 5.257) 5.953 1.937 ( -0.576 -1.114 -4.332) 4.510 1.993 ( 2.600 -2.888 -4.591) 6.015 2.190 ( 1.306 3.613 0.385) 3.861 2.209 ( -0.860 0.194 -0.563) 1.046 2.282 ( 0.267 -1.606 0.685) 1.767 2.363 ( 1.343 4.108 -2.042) 4.780 2.395 ( -0.601 3.547 -0.470) 3.628 2.446 ( -2.790 1.933 -1.209) 3.603 2.535 ( -0.611 -3.503 3.437) 4.945 2.559 ( 1.932 -1.229 2.278) 3.230 2.642 ( -0.707 -1.442 4.285) 4.576 2.765 ( 6.367 -5.190 -4.182) 9.217 4.417 ( -2.169 -1.974 -0.083) 2.934 4.427 ( -2.784 -1.738 0.035) 3.282 4.666 ( 0.105 0.774 0.736) 1.073 4.730 ( 0.621 -0.490 -0.441) 0.906 4.765 ( 1.613 -1.289 -0.060) 2.066 4.777 ( 1.011 -0.462 -0.408) 1.184 4.881 ( 3.947 -0.015 -0.199) 3.952 4.896 ( 3.706 -0.335 0.224) 3.728 5.898 ( -2.108 -0.138 -0.159) 2.119 5.936 ( -3.405 -0.998 0.089) 3.549 6.083 ( 0.114 0.524 -0.394) 0.665 6.104 ( -0.769 0.195 0.139) 0.805 7.358 ( 7.236 0.039 -0.074) 7.236 7.363 ( 6.796 -0.123 -0.034) 6.797 7.659 ( -6.894 0.527 -0.112) 6.915 7.677 ( -7.144 0.314 0.499) 7.168 12.251 ( 0.507 -0.036 -0.014) 0.508 12.269 ( 0.177 -0.102 0.220) 0.300 12.564 ( -2.531 1.443 0.827) 3.029 12.642 ( -0.756 -0.995 -1.489) 1.944 12.753 ( -0.393 0.991 -0.212) 1.087 12.895 ( -0.898 -0.132 -1.474) 1.731 13.019 ( 2.484 2.045 1.628) 3.606 13.135 ( -1.658 -2.180 -0.709) 2.830======================= Grid point 346 (133/171) =======================q-point: ( 0.70 0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.735 ( 2.184 1.602 -5.683) 6.295 0.926 ( 1.736 1.217 0.438) 2.165 1.010 ( -4.453 2.922 1.562) 5.551 1.042 ( -0.404 3.475 4.479) 5.683 1.240 ( 2.610 4.270 -3.899) 6.344 1.242 ( -2.730 -0.807 -0.237) 2.856 1.377 ( 0.584 0.956 1.499) 1.871 1.423 ( -1.157 1.686 2.451) 3.192 1.629 ( -0.862 -1.132 3.337) 3.628 1.769 ( 1.164 1.432 2.633) 3.215 1.836 ( -8.645 -0.207 -1.921) 8.858 1.886 ( -4.018 -2.690 -2.484) 5.436 1.959 ( -9.655 0.260 1.805) 9.826 2.013 ( -18.018 3.166 -0.432) 18.299 2.184 ( 1.724 -3.515 -1.338) 4.138 2.235 ( -4.648 4.417 -1.352) 6.553 2.273 ( 2.339 -1.784 1.175) 3.168 2.308 ( -0.426 0.552 -3.397) 3.468 2.475 ( -4.119 1.787 -0.812) 4.563 2.511 ( -0.529 0.797 0.814) 1.256 2.528 ( -3.858 0.127 -1.054) 4.001 2.565 ( -5.139 -1.831 1.747) 5.728 2.640 ( 1.420 -1.894 -1.327) 2.714 2.666 ( -0.365 -0.384 3.825) 3.862 4.457 ( -3.370 -0.762 -0.002) 3.455 4.474 ( -3.389 -0.707 -0.068) 3.462 4.662 ( 0.598 -0.160 -0.338) 0.706 4.697 ( 2.961 -0.137 -0.665) 3.038 4.725 ( 2.596 -0.649 0.864) 2.812 4.752 ( 4.071 -0.415 0.812) 4.172 4.787 ( 5.252 -0.220 -0.498) 5.280 4.792 ( 6.748 -0.408 -0.399) 6.772 5.946 ( -3.566 0.089 -0.698) 3.635 6.004 ( -4.584 -0.236 0.547) 4.623 6.084 ( -0.006 0.135 -0.447) 0.467 6.116 ( -0.433 -0.068 0.345) 0.558 7.245 ( 5.891 0.076 0.072) 5.892 7.251 ( 5.695 -0.357 -0.236) 5.712 7.775 ( -6.102 0.349 -0.105) 6.113 7.789 ( -5.341 0.217 0.234) 5.351 12.246 ( -0.051 0.016 -0.088) 0.103 12.266 ( 0.438 0.142 0.358) 0.583 12.614 ( -2.238 -0.284 -0.127) 2.260 12.648 ( -1.430 -0.929 -0.479) 1.771 12.753 ( -0.544 -0.138 -1.673) 1.764 12.926 ( -0.336 1.351 2.990) 3.298 13.003 ( 1.200 3.344 -0.815) 3.645 13.126 ( -0.382 -3.555 -0.923) 3.692======================= Grid point 347 (134/171) =======================q-point: ( 0.80 0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.662 ( 3.519 -0.061 -6.997) 7.833 0.885 ( 1.734 -0.344 -0.787) 1.935 1.078 ( 0.090 1.873 3.980) 4.400 1.106 ( -4.397 1.265 0.398) 4.593 1.203 ( 2.315 1.509 -3.290) 4.297 1.270 ( -1.089 -0.978 1.664) 2.216 1.383 ( -1.865 -1.130 1.382) 2.581 1.465 ( -0.056 1.327 3.206) 3.470 1.637 ( 1.000 -0.125 5.259) 5.355 1.689 ( 8.293 0.081 -1.609) 8.448 1.837 ( -0.429 -0.205 -6.438) 6.455 1.914 ( -0.813 0.162 3.286) 3.389 2.010 ( 5.189 4.507 2.171) 7.208 2.075 ( 6.819 -2.922 0.099) 7.419 2.199 ( 2.096 0.850 -4.199) 4.769 2.217 ( 0.996 -2.126 -2.135) 3.174 2.314 ( -2.633 1.299 -2.054) 3.583 2.395 ( -5.530 -3.124 -0.561) 6.376 2.530 ( 0.729 1.088 1.494) 1.987 2.618 ( -6.957 0.151 0.430) 6.972 2.631 ( -5.825 0.749 -0.216) 5.877 2.670 ( 0.420 -0.088 1.967) 2.014 2.813 ( -26.730 -0.056 -0.105) 26.730 2.844 ( -27.891 0.257 0.590) 27.899 4.511 ( -2.940 0.139 0.038) 2.944 4.523 ( -2.559 0.014 -0.062) 2.560 4.569 ( 13.752 -0.159 0.012) 13.753 4.588 ( 12.622 -0.106 0.567) 12.635 4.636 ( 3.440 -0.512 -0.428) 3.504 4.668 ( 0.331 -0.112 -1.654) 1.690 4.687 ( 2.415 -0.558 0.405) 2.511 4.785 ( -0.486 0.002 0.786) 0.924 6.007 ( -3.529 0.143 -0.746) 3.609 6.079 ( 0.175 0.055 -0.294) 0.346 6.085 ( -4.156 0.038 0.641) 4.205 6.118 ( 0.361 -0.151 0.352) 0.526 7.155 ( 4.354 -0.065 -0.151) 4.357 7.172 ( 3.273 -0.120 0.089) 3.276 7.864 ( -3.306 0.095 -0.038) 3.308 7.867 ( -4.326 0.144 0.029) 4.329 12.251 ( -0.311 0.128 0.020) 0.338 12.257 ( 0.829 0.117 0.111) 0.845 12.637 ( -1.658 -0.961 -0.633) 2.018 12.667 ( -1.315 -0.438 -0.665) 1.537 12.771 ( -1.943 0.174 -0.161) 1.957 12.919 ( 2.503 0.171 2.488) 3.533 13.029 ( 0.008 4.785 -0.896) 4.869 13.099 ( -0.781 -4.211 -0.898) 4.376======================= Grid point 348 (135/171) =======================q-point: (-0.10 0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.576 ( 2.309 -0.000 -5.695) 6.145 0.890 ( -3.038 -0.000 -0.591) 3.095 1.105 ( 1.835 0.000 3.221) 3.707 1.182 ( -3.680 0.000 0.755) 3.757 1.186 ( -4.088 -0.000 -3.059) 5.106 1.281 ( 0.470 0.000 3.479) 3.511 1.435 ( -3.149 0.000 1.008) 3.307 1.441 ( 4.531 0.000 0.291) 4.541 1.507 ( 10.705 -0.000 -4.743) 11.708 1.643 ( 1.457 0.000 5.382) 5.576 1.828 ( -1.785 -0.000 -4.414) 4.761 1.890 ( 6.700 0.000 4.999) 8.359 1.934 ( 5.123 0.000 -0.499) 5.147 1.986 ( -0.426 -0.000 -1.061) 1.143 2.152 ( 1.645 -0.000 -3.250) 3.643 2.183 ( -0.148 -0.000 -1.776) 1.782 2.355 ( -2.329 -0.000 -1.132) 2.590 2.421 ( -0.304 0.000 0.393) 0.497 2.527 ( 0.443 0.000 0.841) 0.950 2.639 ( 2.594 0.000 1.811) 3.164 2.707 ( -2.757 -0.000 -0.236) 2.767 2.720 ( -3.555 -0.000 -0.245) 3.564 3.334 ( -30.014 -0.000 -0.091) 30.014 3.357 ( -28.764 -0.000 0.186) 28.764 4.285 ( 18.933 0.000 -0.160) 18.933 4.322 ( 17.590 0.000 0.280) 17.592 4.553 ( -1.646 -0.000 0.074) 1.648 4.557 ( -1.262 -0.000 -0.012) 1.262 4.585 ( 1.784 -0.000 -0.443) 1.838 4.650 ( 1.469 0.000 0.392) 1.521 4.675 ( -1.229 -0.000 -0.918) 1.534 4.793 ( 0.050 0.000 0.560) 0.562 6.057 ( -2.439 -0.000 -0.566) 2.504 6.068 ( 0.832 -0.000 -0.179) 0.851 6.105 ( 1.140 0.000 0.258) 1.169 6.153 ( -3.072 -0.000 0.574) 3.125 7.098 ( 2.235 0.000 -0.207) 2.245 7.135 ( 1.223 0.000 0.232) 1.245 7.905 ( -1.600 -0.000 -0.113) 1.604 7.923 ( -2.030 -0.000 0.101) 2.033 12.241 ( 1.044 0.000 -0.113) 1.050 12.255 ( -0.044 0.000 0.065) 0.079 12.662 ( -2.044 -0.000 -0.508) 2.106 12.679 ( -0.725 -0.000 -0.647) 0.972 12.808 ( -1.783 0.000 0.703) 1.916 12.884 ( 2.336 0.000 1.211) 2.631 13.031 ( 1.088 -0.000 -1.086) 1.537 13.105 ( -1.750 -0.000 -0.155) 1.756======================= Grid point 349 (136/171) =======================q-point: ( 0.00 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( 2.291 0.000 -0.000) 2.291 0.887 ( -3.069 -0.000 0.000) 3.069 1.122 ( 3.890 0.000 -0.000) 3.890 1.169 ( -6.111 -0.000 0.000) 6.111 1.184 ( -4.123 -0.000 0.000) 4.123 1.299 ( -0.672 -0.000 0.000) 0.672 1.439 ( -3.005 -0.000 0.000) 3.005 1.442 ( 4.833 0.000 -0.000) 4.833 1.484 ( 12.317 0.000 -0.000) 12.317 1.671 ( 3.122 0.000 -0.000) 3.122 1.804 ( -4.034 -0.000 0.000) 4.034 1.917 ( 8.516 0.000 -0.000) 8.516 1.932 ( 5.584 0.000 -0.000) 5.584 1.978 ( -1.853 -0.000 0.000) 1.853 2.137 ( 1.229 0.000 -0.000) 1.229 2.176 ( -0.184 -0.000 0.000) 0.184 2.350 ( -2.327 -0.000 0.000) 2.327 2.423 ( -0.370 -0.000 0.000) 0.370 2.531 ( 0.568 0.000 -0.000) 0.568 2.646 ( 2.747 0.000 -0.000) 2.747 2.706 ( -2.801 -0.000 0.000) 2.801 2.719 ( -3.598 -0.000 0.000) 3.598 3.333 ( -30.031 -0.000 0.000) 30.031 3.358 ( -28.714 -0.000 0.000) 28.714 4.284 ( 18.969 0.000 -0.000) 18.969 4.323 ( 17.569 0.000 -0.000) 17.569 4.554 ( -1.714 -0.000 0.000) 1.714 4.557 ( -1.247 -0.000 0.000) 1.247 4.583 ( 1.818 0.000 -0.000) 1.818 4.652 ( 1.442 0.000 -0.000) 1.442 4.671 ( -1.254 -0.000 0.000) 1.254 4.795 ( 0.083 0.000 -0.000) 0.083 6.054 ( -2.433 -0.000 0.000) 2.433 6.067 ( 0.817 0.000 -0.000) 0.817 6.106 ( 1.148 0.000 -0.000) 1.148 6.155 ( -3.092 -0.000 0.000) 3.092 7.097 ( 2.254 0.000 -0.000) 2.254 7.136 ( 1.189 0.000 -0.000) 1.189 7.905 ( -1.592 -0.000 0.000) 1.592 7.923 ( -2.044 -0.000 0.000) 2.044 12.240 ( 1.088 0.000 -0.000) 1.088 12.255 ( -0.052 -0.000 0.000) 0.052 12.659 ( -2.050 -0.000 0.000) 2.050 12.676 ( -0.719 -0.000 0.000) 0.719 12.812 ( -1.927 -0.000 0.000) 1.927 12.890 ( 2.436 0.000 -0.000) 2.436 13.026 ( 1.211 0.000 -0.000) 1.211 13.104 ( -1.859 -0.000 0.000) 1.859======================= Grid point 355 (137/171) =======================q-point: ( 0.60 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 280Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.674 ( -0.000 7.430 5.984) 9.540 0.731 ( 0.000 9.666 5.023) 10.893 0.834 ( -0.000 6.746 9.685) 11.802 0.935 ( -0.000 7.455 -4.936) 8.941 0.949 ( -0.000 -0.239 -9.017) 9.021 1.201 ( 0.000 4.142 -8.737) 9.669 1.238 ( 0.000 13.593 5.686) 14.734 1.315 ( -0.000 5.408 1.162) 5.531 1.359 ( 0.000 -0.210 3.428) 3.435 1.471 ( -0.000 -0.303 -2.148) 2.170 1.745 ( 0.000 -2.027 5.708) 6.057 1.775 ( -0.000 -4.614 4.098) 6.172 1.923 ( 0.000 -1.878 -5.468) 5.782 2.013 ( 0.000 -2.823 -7.119) 7.659 2.183 ( -0.000 2.962 0.504) 3.005 2.191 ( 0.000 2.067 0.480) 2.122 2.301 ( -0.000 -1.792 0.450) 1.848 2.330 ( 0.000 2.211 0.383) 2.244 2.362 ( -0.000 5.470 -2.800) 6.145 2.398 ( 0.000 2.166 -1.658) 2.728 2.568 ( 0.000 -1.205 4.294) 4.460 2.609 ( 0.000 -1.547 3.924) 4.218 2.676 ( -0.000 -4.461 4.286) 6.187 2.851 ( 0.000 -6.222 -6.232) 8.806 4.414 ( -0.000 -2.460 0.099) 2.462 4.418 ( -0.000 -2.471 -0.078) 2.472 4.665 ( -0.000 1.042 1.749) 2.036 4.733 ( 0.000 -0.313 -1.571) 1.602 4.783 ( -0.000 -0.516 -0.149) 0.537 4.794 ( -0.000 -1.745 -0.669) 1.869 4.916 ( 0.000 0.300 0.488) 0.573 4.928 ( -0.000 -0.246 0.004) 0.246 5.887 ( 0.000 -0.669 0.706) 0.973 5.910 ( -0.000 -1.318 -0.515) 1.416 6.082 ( 0.000 0.689 0.011) 0.689 6.089 ( -0.000 0.489 -0.399) 0.631 7.451 ( 0.000 -0.052 0.014) 0.054 7.453 ( -0.000 -0.110 -0.073) 0.132 7.573 ( -0.000 0.884 0.276) 0.926 7.575 ( -0.000 0.420 0.363) 0.555 12.259 ( -0.000 0.061 0.360) 0.365 12.271 ( -0.000 -0.300 -0.293) 0.420 12.530 ( 0.000 2.328 1.696) 2.880 12.621 ( 0.000 1.291 -3.187) 3.439 12.750 ( -0.000 0.282 2.639) 2.654 12.876 ( -0.000 -0.471 -4.199) 4.225 13.054 ( 0.000 -0.080 2.366) 2.367 13.112 ( 0.000 -0.153 -1.055) 1.066======================= Grid point 356 (138/171) =======================q-point: ( 0.70 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.738 ( 1.397 3.392 0.359) 3.686 0.905 ( -3.280 3.984 0.965) 5.250 0.933 ( -2.388 3.815 3.825) 5.907 0.985 ( -6.456 4.713 4.271) 9.063 1.114 ( -11.615 4.374 -4.095) 13.069 1.198 ( -0.784 4.266 -7.617) 8.765 1.350 ( -0.819 8.131 2.575) 8.568 1.395 ( -0.844 1.749 0.682) 2.058 1.453 ( -16.148 0.970 1.052) 16.211 1.560 ( -13.223 -0.709 0.180) 13.244 1.736 ( 0.210 -2.331 5.409) 5.893 1.792 ( -1.098 -0.563 4.866) 5.020 1.899 ( -1.451 -1.469 -4.458) 4.913 1.949 ( 1.547 -2.013 -5.546) 6.100 2.193 ( 1.069 2.594 0.385) 2.832 2.205 ( -0.034 0.512 -0.447) 0.680 2.287 ( 1.116 0.701 0.485) 1.404 2.344 ( 2.743 3.975 -2.098) 5.266 2.398 ( -2.390 3.453 0.795) 4.274 2.436 ( -3.181 2.197 -1.092) 4.017 2.568 ( 1.629 -4.111 4.002) 5.964 2.578 ( 2.067 -1.717 2.313) 3.545 2.669 ( -0.557 -1.742 1.585) 2.420 2.728 ( 4.519 -5.391 -3.982) 8.083 4.417 ( -2.213 -2.022 -0.054) 2.998 4.427 ( -2.646 -1.569 0.008) 3.077 4.672 ( 0.703 0.400 0.714) 1.079 4.726 ( 0.362 0.104 -0.421) 0.565 4.765 ( 1.226 -1.473 0.078) 1.918 4.773 ( 0.720 -0.442 -0.500) 0.982 4.880 ( 4.267 -0.056 -0.096) 4.268 4.898 ( 3.759 -0.311 0.120) 3.774 5.897 ( -1.841 -0.371 -0.122) 1.882 5.937 ( -3.636 -0.911 0.064) 3.749 6.080 ( 0.198 0.512 -0.279) 0.616 6.105 ( -0.937 0.198 0.075) 0.961 7.357 ( 7.230 0.002 -0.058) 7.230 7.363 ( 6.853 -0.131 -0.030) 6.854 7.658 ( -6.823 0.497 -0.039) 6.841 7.680 ( -7.138 0.248 0.335) 7.150 12.251 ( 0.609 -0.108 0.004) 0.619 12.271 ( 0.039 0.039 0.167) 0.176 12.572 ( -2.001 1.472 1.079) 2.709 12.627 ( -1.158 0.034 -1.775) 2.120 12.753 ( 0.681 -0.538 0.149) 0.881 12.883 ( -2.795 0.975 -1.190) 3.190 13.031 ( 2.981 1.481 1.252) 3.556 13.129 ( -1.482 -1.853 -0.647) 2.459======================= Grid point 357 (139/171) =======================q-point: ( 0.80 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.696 ( 3.302 0.652 -3.345) 4.745 0.929 ( 2.669 1.277 0.121) 2.962 1.018 ( -4.161 2.251 0.600) 4.769 1.087 ( 0.426 4.389 5.390) 6.964 1.202 ( 1.181 3.772 -4.634) 6.091 1.241 ( -3.757 -0.326 -0.192) 3.775 1.386 ( 0.294 -1.028 0.659) 1.256 1.440 ( -1.642 4.116 1.348) 4.632 1.668 ( -1.973 -1.614 5.234) 5.822 1.775 ( 0.032 1.060 -1.576) 1.900 1.818 ( -0.368 -0.853 -1.670) 1.911 1.868 ( -6.439 -1.054 -1.473) 6.689 1.978 ( -9.939 0.030 2.323) 10.207 2.009 ( -22.118 3.678 -0.374) 22.425 2.176 ( 0.649 -3.784 -0.526) 3.876 2.220 ( -0.608 4.882 -2.015) 5.316 2.276 ( 4.951 1.552 -0.567) 5.219 2.296 ( -2.603 -3.060 0.461) 4.044 2.463 ( -2.743 0.810 -1.394) 3.182 2.518 ( -1.492 1.669 0.641) 2.329 2.523 ( -5.125 0.620 -0.291) 5.170 2.582 ( -3.344 -1.970 1.990) 4.361 2.626 ( -0.490 -2.056 -1.733) 2.733 2.691 ( -0.269 -0.711 2.060) 2.196 4.457 ( -3.460 -0.921 0.010) 3.581 4.473 ( -3.268 -0.457 -0.057) 3.300 4.659 ( 0.641 -0.254 -0.162) 0.708 4.693 ( 3.064 -0.355 -0.412) 3.112 4.731 ( 2.476 -0.439 0.499) 2.564 4.760 ( 5.273 -0.375 0.986) 5.378 4.781 ( 2.556 -0.210 -0.898) 2.717 4.790 ( 8.257 -0.397 -0.149) 8.268 5.942 ( -3.468 -0.019 -0.380) 3.488 6.008 ( -4.718 -0.186 0.286) 4.730 6.081 ( -0.001 0.115 -0.241) 0.267 6.119 ( -0.494 -0.062 0.178) 0.529 7.245 ( 5.780 -0.022 0.124) 5.782 7.249 ( 5.791 -0.261 -0.226) 5.802 7.775 ( -6.133 0.340 -0.048) 6.143 7.790 ( -5.243 0.187 0.125) 5.248 12.245 ( -0.080 -0.006 -0.027) 0.085 12.268 ( 0.481 0.182 0.198) 0.551 12.613 ( -1.833 -0.489 -0.073) 1.899 12.644 ( -1.481 -0.446 -0.370) 1.591 12.743 ( -0.832 -0.448 -0.794) 1.234 12.949 ( -1.580 2.597 2.200) 3.752 12.995 ( 2.157 2.083 -0.981) 3.155 13.119 ( -0.190 -3.376 -0.617) 3.437======================= Grid point 358 (140/171) =======================q-point: ( 0.90 0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.620 ( 4.026 -0.310 -2.614) 4.810 0.880 ( 1.888 -0.309 -0.260) 1.931 1.106 ( -1.772 1.749 1.561) 2.938 1.109 ( -2.234 1.414 0.935) 2.805 1.178 ( 2.255 1.282 -2.131) 3.357 1.280 ( -1.733 -0.842 0.670) 2.040 1.391 ( -2.229 -1.318 0.460) 2.630 1.481 ( 0.567 1.767 0.765) 2.007 1.677 ( 9.374 -0.033 -0.772) 9.406 1.695 ( 1.095 -0.118 7.700) 7.778 1.773 ( -1.090 -0.454 -7.912) 8.000 1.934 ( -2.104 0.620 1.223) 2.512 2.032 ( 5.572 2.798 2.139) 6.591 2.075 ( 9.023 1.167 0.080) 9.099 2.165 ( 0.514 -1.548 -3.012) 3.425 2.206 ( 2.656 -2.610 -0.554) 3.765 2.303 ( -2.858 1.183 -0.572) 3.146 2.392 ( -6.518 -2.819 -0.140) 7.102 2.539 ( 0.808 1.404 0.528) 1.704 2.620 ( -7.398 -0.267 0.179) 7.405 2.629 ( -6.257 0.650 -0.277) 6.297 2.683 ( 1.165 0.192 0.806) 1.430 2.813 ( -26.666 -0.128 -0.037) 26.666 2.847 ( -27.710 0.272 0.216) 27.712 4.511 ( -3.030 -0.026 0.025) 3.031 4.523 ( -2.485 0.233 -0.033) 2.496 4.569 ( 13.871 -0.178 0.010) 13.872 4.592 ( 13.070 -0.081 0.248) 13.073 4.633 ( 3.645 -0.642 -0.117) 3.703 4.657 ( -0.287 -0.130 -0.670) 0.740 4.689 ( 2.426 -0.475 0.146) 2.477 4.790 ( -0.620 0.003 0.261) 0.672 6.002 ( -3.504 0.107 -0.258) 3.515 6.077 ( 0.281 -0.032 -0.113) 0.305 6.089 ( -4.356 0.123 0.232) 4.364 6.120 ( 0.356 -0.124 0.121) 0.396 7.155 ( 4.401 -0.115 -0.054) 4.403 7.173 ( 3.191 -0.065 0.030) 3.192 7.864 ( -3.241 0.086 -0.014) 3.242 7.867 ( -4.374 0.147 0.011) 4.376 12.251 ( -0.339 0.128 0.012) 0.363 12.258 ( 0.919 0.116 0.039) 0.927 12.633 ( -1.604 -1.015 -0.222) 1.911 12.663 ( -1.161 -0.383 -0.291) 1.257 12.771 ( -2.380 0.174 0.013) 2.387 12.935 ( 3.001 0.173 0.989) 3.165 13.023 ( -0.156 4.841 -0.399) 4.860 13.093 ( -0.910 -4.266 -0.384) 4.379======================= Grid point 366 (141/171) =======================q-point: ( 0.70 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.730 ( 0.000 4.849 7.137) 8.628 0.777 ( 0.000 9.309 5.676) 10.903 0.872 ( -0.000 1.014 -8.878) 8.936 0.876 ( -0.000 9.564 -4.134) 10.419 0.937 ( -0.000 4.255 9.535) 10.441 1.120 ( 0.000 4.295 -10.159) 11.029 1.280 ( -0.000 11.233 4.136) 11.970 1.319 ( -0.000 6.542 -0.445) 6.557 1.390 ( 0.000 0.105 3.770) 3.772 1.449 ( -0.000 -0.196 -2.956) 2.962 1.802 ( 0.000 -1.417 7.547) 7.679 1.809 ( -0.000 -3.687 3.941) 5.397 1.880 ( 0.000 -2.191 -4.610) 5.104 1.945 ( -0.000 -1.831 -8.445) 8.641 2.187 ( -0.000 2.812 0.527) 2.861 2.193 ( 0.000 2.222 0.044) 2.222 2.306 ( -0.000 -0.552 0.640) 0.845 2.324 ( 0.000 2.368 -1.477) 2.791 2.355 ( 0.000 3.836 0.875) 3.935 2.383 ( 0.000 2.642 -1.852) 3.226 2.605 ( -0.000 -0.161 4.169) 4.172 2.633 ( 0.000 -0.838 1.536) 1.750 2.710 ( -0.000 -6.101 3.896) 7.239 2.796 ( -0.000 -6.486 -6.289) 9.034 4.415 ( -0.000 -2.425 0.125) 2.428 4.417 ( 0.000 -2.430 -0.119) 2.433 4.681 ( -0.000 0.827 2.068) 2.227 4.717 ( 0.000 0.167 -1.970) 1.977 4.782 ( -0.000 -0.857 0.130) 0.867 4.789 ( -0.000 -1.562 -0.581) 1.666 4.920 ( 0.000 0.144 0.497) 0.518 4.927 ( -0.000 -0.144 -0.220) 0.263 5.893 ( 0.000 -0.941 0.738) 1.196 5.905 ( -0.000 -1.262 -0.630) 1.410 6.083 ( 0.000 0.658 0.088) 0.664 6.086 ( -0.000 0.570 -0.318) 0.653 7.451 ( 0.000 -0.092 0.033) 0.097 7.452 ( -0.000 -0.122 -0.069) 0.140 7.575 ( 0.000 0.748 0.254) 0.790 7.577 ( -0.000 0.476 0.106) 0.488 12.262 ( -0.000 0.020 0.398) 0.398 12.268 ( -0.000 -0.169 -0.352) 0.391 12.546 ( 0.000 2.309 2.260) 3.231 12.594 ( 0.000 1.896 -3.155) 3.681 12.775 ( 0.000 -0.203 3.334) 3.340 12.840 ( -0.000 -0.549 -4.108) 4.145 13.073 ( 0.000 0.090 2.012) 2.014 13.102 ( 0.000 0.047 -1.366) 1.367======================= Grid point 367 (142/171) =======================q-point: ( 0.80 0.40 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.741 ( 3.554 1.274 0.275) 3.786 0.897 ( -3.389 3.158 -1.142) 4.771 0.962 ( -3.049 5.185 2.287) 6.435 1.044 ( -5.574 6.665 7.305) 11.351 1.087 ( -12.226 3.257 -1.298) 12.719 1.129 ( -2.745 4.093 -8.255) 9.614 1.366 ( -0.932 8.417 1.044) 8.533 1.399 ( 0.206 1.161 0.179) 1.193 1.459 ( -15.917 0.642 0.352) 15.934 1.561 ( -13.933 -0.831 0.038) 13.958 1.784 ( 0.496 -1.266 5.182) 5.358 1.822 ( 1.007 -0.372 0.789) 1.333 1.868 ( -0.803 -1.692 -1.476) 2.384 1.904 ( -1.642 -1.448 -4.328) 4.850 2.197 ( 0.745 0.799 0.384) 1.157 2.201 ( 0.570 1.864 -0.400) 1.990 2.290 ( 2.834 3.813 0.162) 4.754 2.331 ( 1.464 1.905 -0.769) 2.523 2.405 ( -2.411 3.357 0.649) 4.184 2.428 ( -3.559 2.503 -0.696) 4.407 2.586 ( 4.425 -3.964 0.736) 5.987 2.613 ( 1.194 -2.235 4.942) 5.554 2.657 ( 2.154 -2.478 -4.054) 5.217 2.710 ( 0.346 -5.047 -0.250) 5.065 4.417 ( -2.233 -2.044 -0.018) 3.027 4.427 ( -2.569 -1.472 -0.001) 2.961 4.677 ( 1.238 0.085 0.316) 1.281 4.723 ( 0.019 0.462 -0.187) 0.499 4.766 ( 0.891 -1.193 0.235) 1.507 4.769 ( 0.662 -0.732 -0.410) 1.068 4.880 ( 4.464 -0.096 -0.025) 4.465 4.898 ( 3.785 -0.284 0.035) 3.796 5.896 ( -1.690 -0.505 -0.045) 1.764 5.938 ( -3.766 -0.866 0.023) 3.864 6.079 ( 0.237 0.506 -0.100) 0.568 6.105 ( -1.027 0.198 0.023) 1.047 7.357 ( 7.228 -0.019 -0.022) 7.228 7.363 ( 6.884 -0.136 -0.012) 6.886 7.658 ( -6.784 0.474 -0.008) 6.800 7.682 ( -7.133 0.219 0.117) 7.138 12.251 ( 0.661 -0.145 0.005) 0.676 12.272 ( -0.034 0.117 0.062) 0.136 12.581 ( -1.334 1.446 0.769) 2.112 12.614 ( -1.768 0.644 -1.063) 2.161 12.754 ( 1.498 -1.494 0.126) 2.119 12.876 ( -4.014 1.644 -0.467) 4.363 13.039 ( 3.245 1.210 0.481) 3.497 13.124 ( -1.407 -1.647 -0.274) 2.183======================= Grid point 368 (143/171) =======================q-point: (-0.10 -0.60 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.681 ( 3.713 0.322 -0.000) 3.727 0.929 ( 2.852 1.369 -0.000) 3.164 1.020 ( -3.870 2.117 0.000) 4.411 1.119 ( 1.814 4.798 0.000) 5.129 1.174 ( -0.296 3.454 0.000) 3.467 1.240 ( -4.294 -0.269 0.000) 4.302 1.389 ( 0.165 -1.663 -0.000) 1.672 1.445 ( -1.712 4.804 0.000) 5.100 1.701 ( -4.902 -1.904 0.000) 5.259 1.756 ( 1.025 0.251 -0.000) 1.055 1.812 ( 5.310 -0.303 -0.000) 5.319 1.862 ( -9.082 -0.336 0.000) 9.088 1.990 ( -10.089 -0.121 0.000) 10.090 2.007 ( -23.645 3.797 0.000) 23.948 2.174 ( -0.497 -4.436 -0.000) 4.463 2.209 ( 2.697 5.928 0.000) 6.512 2.273 ( 2.208 1.778 -0.000) 2.835 2.300 ( -0.430 -3.638 -0.000) 3.664 2.457 ( -2.366 0.384 0.000) 2.397 2.521 ( -2.133 2.099 0.000) 2.992 2.522 ( -5.407 0.781 0.000) 5.463 2.594 ( -1.556 -1.693 0.000) 2.299 2.616 ( -2.157 -2.453 0.000) 3.266 2.700 ( -0.257 -0.815 -0.000) 0.855 4.457 ( -3.500 -0.987 0.000) 3.636 4.473 ( -3.218 -0.355 0.000) 3.237 4.659 ( 0.648 -0.276 -0.000) 0.704 4.691 ( 3.107 -0.441 -0.000) 3.138 4.733 ( 2.445 -0.370 -0.000) 2.473 4.766 ( 8.543 -0.364 -0.000) 8.551 4.775 ( -0.999 -0.219 0.000) 1.023 4.789 ( 8.540 -0.377 -0.000) 8.548 5.940 ( -3.435 -0.055 0.000) 3.435 6.009 ( -4.764 -0.172 0.000) 4.767 6.080 ( 0.001 0.109 0.000) 0.109 6.119 ( -0.517 -0.061 0.000) 0.520 7.247 ( 5.383 -0.082 -0.000) 5.383 7.247 ( 6.183 -0.201 -0.000) 6.186 7.774 ( -6.143 0.336 0.000) 6.152 7.791 ( -5.209 0.176 0.000) 5.211 12.245 ( -0.091 -0.013 0.000) 0.092 12.269 ( 0.496 0.195 -0.000) 0.533 12.613 ( -1.668 -0.573 0.000) 1.764 12.642 ( -1.504 -0.258 0.000) 1.526 12.739 ( -0.956 -0.555 0.000) 1.106 12.960 ( -2.960 3.842 0.000) 4.850 12.990 ( 3.423 0.809 -0.000) 3.518 13.116 ( -0.105 -3.294 -0.000) 3.296======================= Grid point 379 (144/171) =======================q-point: (-0.20 -0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.795 ( -0.000 3.247 -7.377) 8.060 0.795 ( 0.000 3.247 7.377) 8.060 0.830 ( -0.000 8.512 -5.123) 9.934 0.830 ( 0.000 8.512 5.123) 9.934 1.029 ( -0.000 4.541 -10.962) 11.865 1.029 ( 0.000 4.541 10.962) 11.865 1.307 ( -0.000 8.699 -2.103) 8.949 1.307 ( -0.000 8.699 2.103) 8.949 1.422 ( -0.000 -0.033 -3.272) 3.272 1.422 ( 0.000 -0.033 3.272) 3.272 1.843 ( -0.000 -2.835 -3.917) 4.836 1.843 ( 0.000 -2.835 3.917) 4.836 1.872 ( -0.000 -1.283 -8.559) 8.655 1.872 ( 0.000 -1.283 8.559) 8.655 2.191 ( -0.000 2.540 -0.322) 2.561 2.191 ( -0.000 2.540 0.322) 2.561 2.313 ( -0.000 1.036 -0.947) 1.403 2.313 ( 0.000 1.036 0.947) 1.403 2.367 ( -0.000 3.096 -1.709) 3.536 2.367 ( 0.000 3.096 1.709) 3.536 2.632 ( -0.000 0.099 -1.727) 1.730 2.632 ( 0.000 0.099 1.727) 1.730 2.747 ( -0.000 -6.893 -4.956) 8.490 2.747 ( 0.000 -6.893 4.956) 8.490 4.416 ( 0.000 -2.413 -0.115) 2.416 4.416 ( 0.000 -2.413 0.115) 2.416 4.700 ( -0.000 0.543 -2.096) 2.165 4.700 ( 0.000 0.543 2.096) 2.165 4.785 ( 0.000 -1.239 -0.391) 1.299 4.785 ( 0.000 -1.239 0.391) 1.299 4.924 ( -0.000 -0.008 -0.347) 0.347 4.924 ( 0.000 -0.008 0.347) 0.347 5.899 ( -0.000 -1.141 -0.586) 1.282 5.899 ( 0.000 -1.141 0.586) 1.282 6.084 ( -0.000 0.622 -0.106) 0.631 6.084 ( 0.000 0.622 0.106) 0.631 7.452 ( -0.000 -0.117 -0.041) 0.124 7.452 ( 0.000 -0.117 0.041) 0.124 7.577 ( -0.000 0.601 -0.031) 0.601 7.577 ( 0.000 0.601 0.031) 0.601 12.265 ( -0.000 -0.058 -0.339) 0.344 12.265 ( 0.000 -0.058 0.339) 0.344 12.568 ( -0.000 2.194 -2.744) 3.513 12.568 ( 0.000 2.194 2.744) 3.513 12.806 ( -0.000 -0.464 -3.698) 3.728 12.806 ( 0.000 -0.464 3.698) 3.728 13.089 ( -0.000 0.132 -1.418) 1.425 13.089 ( 0.000 0.132 1.418) 1.425======================= Grid point 398 (145/171) =======================q-point: ( 0.40 -0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.826 ( 1.878 -0.000 10.288) 10.458 0.916 ( -2.239 -0.000 0.227) 2.251 1.019 ( 0.461 -0.000 -2.171) 2.219 1.058 ( 3.376 -0.000 -6.940) 7.718 1.282 ( -2.712 0.000 3.498) 4.426 1.283 ( -2.975 -0.000 4.231) 5.172 1.366 ( -3.964 -0.000 -4.117) 5.715 1.367 ( -1.597 -0.000 -5.016) 5.264 1.571 ( 3.962 -0.000 0.790) 4.039 1.592 ( 6.587 -0.000 -0.576) 6.612 1.840 ( 3.285 -0.000 3.224) 4.602 1.905 ( 0.283 -0.000 -2.471) 2.487 1.922 ( 4.992 -0.000 1.751) 5.290 1.963 ( 1.650 -0.000 -2.227) 2.772 2.252 ( 1.958 -0.000 2.880) 3.482 2.269 ( 1.036 -0.000 1.758) 2.040 2.418 ( -1.321 -0.000 3.011) 3.288 2.429 ( 0.620 -0.000 2.334) 2.415 2.486 ( -0.989 -0.000 -1.533) 1.824 2.535 ( 1.035 -0.000 -5.554) 5.649 2.718 ( -2.878 -0.000 0.511) 2.923 2.724 ( -3.165 0.000 -0.141) 3.168 3.340 ( -29.731 -0.000 0.386) 29.734 3.347 ( -29.329 -0.000 -0.482) 29.333 4.295 ( 18.442 -0.000 0.631) 18.453 4.307 ( 17.979 -0.000 -0.754) 17.995 4.554 ( -1.428 0.000 0.131) 1.434 4.556 ( -1.396 -0.000 -0.118) 1.401 4.608 ( 1.783 -0.000 1.190) 2.144 4.629 ( 1.731 -0.000 -1.152) 2.079 4.722 ( -0.840 -0.000 2.270) 2.420 4.759 ( -0.402 -0.000 -1.973) 2.013 6.079 ( 1.019 -0.000 0.630) 1.198 6.088 ( -1.080 -0.000 0.978) 1.457 6.093 ( -0.446 -0.000 0.062) 0.450 6.121 ( -2.850 -0.000 -1.757) 3.348 7.110 ( 1.953 -0.000 0.669) 2.065 7.122 ( 1.626 -0.000 -0.693) 1.768 7.911 ( -1.720 -0.000 0.327) 1.750 7.917 ( -1.863 -0.000 -0.315) 1.889 12.247 ( 0.533 -0.000 0.276) 0.600 12.251 ( 0.170 -0.000 -0.224) 0.281 12.688 ( -1.932 -0.000 1.218) 2.284 12.700 ( -1.422 -0.000 0.079) 1.424 12.795 ( 0.095 -0.000 0.741) 0.747 12.827 ( 1.352 -0.000 -2.576) 2.909 13.077 ( 0.026 -0.000 1.833) 1.833 13.100 ( -0.736 0.000 -0.817) 1.099======================= Grid point 410 (146/171) =======================q-point: ( 0.40 -0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.878 ( 1.101 2.557 4.334) 5.151 0.922 ( 1.562 -1.458 1.348) 2.526 0.999 ( -0.452 2.086 0.228) 2.146 1.043 ( -3.217 0.041 -4.310) 5.379 1.257 ( -1.266 1.466 1.587) 2.505 1.279 ( 1.545 2.803 1.986) 3.767 1.312 ( -1.267 -0.874 -3.802) 4.102 1.340 ( 1.091 -3.538 -1.886) 4.155 1.634 ( 2.107 1.119 2.907) 3.761 1.663 ( 2.771 0.903 -3.411) 4.486 1.884 ( 1.915 0.517 1.327) 2.387 1.910 ( -0.328 -1.816 -0.269) 1.865 1.984 ( 4.623 4.411 -0.367) 6.400 2.059 ( 6.047 -4.920 -0.426) 7.807 2.260 ( -4.409 1.439 0.393) 4.654 2.283 ( -0.181 -0.363 1.042) 1.118 2.421 ( -0.117 0.512 4.638) 4.667 2.447 ( -0.665 -1.044 0.384) 1.296 2.477 ( -0.078 -0.372 1.238) 1.295 2.519 ( -0.208 -0.181 -6.212) 6.218 2.631 ( -5.658 2.185 0.085) 6.066 2.656 ( -5.324 -1.054 0.117) 5.429 2.819 ( -28.027 0.340 0.281) 28.031 2.825 ( -28.087 0.008 -0.507) 28.092 4.511 ( -2.716 0.726 0.021) 2.812 4.524 ( -2.755 -0.757 -0.007) 2.857 4.571 ( 12.907 -0.102 0.258) 12.910 4.574 ( 12.530 -0.126 -0.407) 12.537 4.653 ( 2.840 0.439 0.474) 2.913 4.671 ( 2.847 -1.356 -0.445) 3.185 4.726 ( 0.537 -0.060 2.421) 2.481 4.746 ( 0.313 -0.032 -2.188) 2.210 6.038 ( -3.820 0.618 1.269) 4.072 6.055 ( -3.796 -0.124 -1.245) 3.996 6.094 ( 0.425 0.149 0.546) 0.708 6.103 ( 0.355 -0.509 -0.552) 0.831 7.160 ( 3.985 0.414 0.104) 4.008 7.169 ( 3.790 -0.623 -0.080) 3.842 7.865 ( -3.795 0.184 0.024) 3.799 7.866 ( -3.914 0.080 -0.021) 3.915 12.252 ( 0.016 0.130 0.126) 0.182 12.253 ( 0.246 0.126 -0.172) 0.325 12.662 ( -2.146 -0.679 1.049) 2.483 12.670 ( -1.997 -0.673 -0.735) 2.232 12.808 ( 0.530 0.101 2.876) 2.926 12.835 ( 1.081 0.082 -3.407) 3.575 13.049 ( -0.292 4.940 0.271) 4.956 13.118 ( -0.264 -4.266 0.234) 4.280======================= Grid point 411 (147/171) =======================q-point: ( 0.50 -0.20 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.897 ( -0.146 -0.894 0.000) 0.905 0.897 ( -0.146 0.894 0.000) 0.905 1.015 ( 2.105 -5.076 -0.000) 5.495 1.015 ( 2.105 5.076 0.000) 5.495 1.309 ( -2.546 -4.448 -0.000) 5.125 1.309 ( -2.546 4.448 0.000) 5.125 1.336 ( -3.578 -0.991 0.000) 3.712 1.336 ( -3.578 0.991 0.000) 3.712 1.582 ( 5.424 -0.609 -0.000) 5.458 1.582 ( 5.424 0.609 -0.000) 5.458 1.873 ( 2.397 -0.343 -0.000) 2.421 1.873 ( 2.396 0.343 0.000) 2.421 1.942 ( 2.634 -1.094 0.000) 2.853 1.942 ( 2.634 1.094 0.000) 2.853 2.270 ( 1.530 -0.337 0.000) 1.566 2.270 ( 1.530 0.337 0.000) 1.566 2.439 ( -0.126 -0.831 -0.000) 0.841 2.439 ( -0.126 0.831 0.000) 0.841 2.492 ( -0.225 -0.059 -0.000) 0.233 2.492 ( -0.225 0.059 0.000) 0.233 2.722 ( -3.017 -1.037 0.000) 3.190 2.722 ( -3.017 1.037 0.000) 3.190 3.343 ( -29.547 -0.038 0.000) 29.547 3.343 ( -29.547 0.038 0.000) 29.547 4.301 ( 18.206 -0.041 -0.000) 18.206 4.301 ( 18.206 0.041 -0.000) 18.206 4.555 ( -1.419 -1.187 0.000) 1.850 4.555 ( -1.419 1.187 0.000) 1.850 4.619 ( 1.782 -0.912 -0.000) 2.002 4.619 ( 1.782 0.912 0.000) 2.002 4.741 ( -0.624 -0.032 0.000) 0.625 4.741 ( -0.624 0.032 0.000) 0.625 6.085 ( 1.096 -0.281 -0.000) 1.131 6.085 ( 1.096 0.281 0.000) 1.131 6.105 ( -2.764 -0.066 0.000) 2.764 6.105 ( -2.764 0.066 0.000) 2.764 7.116 ( 1.797 -0.344 -0.000) 1.829 7.116 ( 1.797 0.344 0.000) 1.829 7.914 ( -1.788 -0.052 0.000) 1.789 7.914 ( -1.788 0.052 0.000) 1.789 12.249 ( 0.334 -0.062 -0.000) 0.340 12.249 ( 0.334 0.062 0.000) 0.340 12.697 ( -1.774 -0.462 0.000) 1.833 12.697 ( -1.774 0.462 0.000) 1.833 12.807 ( 0.836 -0.185 -0.000) 0.857 12.807 ( 0.836 0.185 0.000) 0.857 13.091 ( -0.356 -4.038 -0.000) 4.054 13.091 ( -0.356 4.038 0.000) 4.054======================= Grid point 421 (148/171) =======================q-point: ( 0.40 -0.10 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.856 ( -1.561 5.389 0.000) 5.610 0.917 ( -6.256 6.010 0.000) 8.675 0.950 ( 0.135 1.458 0.000) 1.465 1.003 ( 0.467 -1.736 -0.000) 1.798 1.245 ( 1.687 2.957 0.000) 3.405 1.291 ( -0.568 0.202 0.000) 0.603 1.321 ( 3.352 2.564 -0.000) 4.220 1.390 ( 1.841 -1.320 -0.000) 2.265 1.639 ( -1.624 1.956 0.000) 2.543 1.662 ( -0.650 -0.999 -0.000) 1.192 1.859 ( -11.204 0.572 0.000) 11.219 1.915 ( -13.234 -3.304 0.000) 13.641 1.981 ( -10.555 1.635 0.000) 10.680 1.991 ( -2.202 -0.273 0.000) 2.219 2.199 ( 5.367 -2.298 -0.000) 5.838 2.255 ( -12.463 1.442 0.000) 12.547 2.264 ( -1.936 0.739 0.000) 2.072 2.421 ( -1.743 -1.736 0.000) 2.460 2.466 ( -2.814 2.131 0.000) 3.530 2.507 ( 0.065 -0.770 -0.000) 0.773 2.524 ( -2.256 1.601 0.000) 2.767 2.546 ( -5.536 -1.063 0.000) 5.637 2.578 ( -3.008 2.178 0.000) 3.714 2.657 ( 5.080 -2.633 -0.000) 5.722 4.457 ( -3.172 -0.378 0.000) 3.194 4.474 ( -3.669 -1.315 0.000) 3.897 4.671 ( 0.179 0.625 0.000) 0.650 4.702 ( 2.327 -1.291 -0.000) 2.661 4.716 ( 4.062 0.400 -0.000) 4.082 4.740 ( 2.489 -0.940 -0.000) 2.661 4.792 ( 6.764 -0.245 -0.000) 6.769 4.799 ( 6.307 -0.445 -0.000) 6.323 5.964 ( -4.101 0.772 0.000) 4.173 5.989 ( -3.957 -0.770 0.000) 4.032 6.096 ( -0.040 0.394 0.000) 0.396 6.106 ( -0.253 -0.286 0.000) 0.381 7.244 ( 6.028 0.231 -0.000) 6.032 7.254 ( 5.599 -0.511 -0.000) 5.622 7.780 ( -5.846 0.330 0.000) 5.855 7.781 ( -5.781 0.345 0.000) 5.791 12.250 ( 0.032 0.234 0.000) 0.236 12.256 ( 0.319 -0.122 -0.000) 0.341 12.617 ( -3.231 0.229 0.000) 3.240 12.654 ( -1.194 -2.096 -0.000) 2.412 12.809 ( -1.059 1.891 0.000) 2.167 12.855 ( 2.186 -1.304 -0.000) 2.546 13.014 ( 0.397 4.601 0.000) 4.618 13.142 ( -0.738 -3.892 -0.000) 3.962======================= Grid point 432 (149/171) =======================q-point: ( 0.40 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.758 ( 0.000 10.350 0.000) 10.350 0.775 ( 0.000 4.939 0.000) 4.939 0.776 ( 0.000 4.973 0.000) 4.973 1.026 ( -0.000 -6.777 -0.000) 6.777 1.142 ( 0.000 6.982 0.000) 6.982 1.287 ( -0.000 -2.398 -0.000) 2.398 1.313 ( 0.000 8.886 0.000) 8.886 1.366 ( 0.000 2.983 0.000) 2.983 1.395 ( 0.000 6.713 0.000) 6.713 1.492 ( -0.000 -0.284 -0.000) 0.284 1.613 ( -0.000 -4.309 -0.000) 4.309 1.624 ( -0.000 -3.537 -0.000) 3.537 2.000 ( -0.000 -1.268 -0.000) 1.268 2.047 ( -0.000 -3.700 -0.000) 3.700 2.203 ( 0.000 1.105 0.000) 1.105 2.238 ( 0.000 5.449 0.000) 5.449 2.249 ( -0.000 -2.555 -0.000) 2.555 2.364 ( 0.000 3.361 0.000) 3.361 2.428 ( -0.000 -0.411 -0.000) 0.411 2.434 ( -0.000 -5.731 -0.000) 5.731 2.513 ( 0.000 0.173 0.000) 0.173 2.519 ( -0.000 -0.001 -0.000) 0.001 2.596 ( 0.000 6.190 0.000) 6.190 2.831 ( -0.000 -8.285 -0.000) 8.285 4.382 ( -0.000 -1.490 -0.000) 1.490 4.386 ( -0.000 -1.711 -0.000) 1.711 4.664 ( 0.000 1.805 0.000) 1.805 4.726 ( -0.000 -2.124 -0.000) 2.124 4.786 ( -0.000 -0.182 -0.000) 0.182 4.789 ( -0.000 -0.626 -0.000) 0.626 4.915 ( 0.000 0.311 0.000) 0.311 4.921 ( -0.000 -0.192 -0.000) 0.192 5.878 ( 0.000 0.301 0.000) 0.301 5.899 ( -0.000 -1.102 -0.000) 1.102 6.092 ( 0.000 0.521 0.000) 0.521 6.099 ( 0.000 0.056 0.000) 0.056 7.452 ( 0.000 0.042 0.000) 0.042 7.453 ( -0.000 -0.057 -0.000) 0.057 7.574 ( 0.000 0.558 0.000) 0.558 7.579 ( 0.000 0.391 0.000) 0.391 12.256 ( 0.000 0.234 0.000) 0.234 12.267 ( -0.000 -0.524 -0.000) 0.524 12.544 ( 0.000 2.587 0.000) 2.587 12.629 ( -0.000 -3.060 -0.000) 3.060 12.776 ( 0.000 4.409 0.000) 4.409 12.914 ( -0.000 -4.836 -0.000) 4.836 13.029 ( 0.000 3.633 0.000) 3.633 13.108 ( -0.000 -1.673 -0.000) 1.673======================= Grid point 433 (150/171) =======================q-point: ( 0.50 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.854 ( -3.350 4.495 -0.680) 5.647 0.876 ( -4.067 6.331 0.142) 7.526 0.895 ( -6.205 0.633 1.762) 6.481 0.979 ( -1.009 -5.470 -0.305) 5.571 1.291 ( -0.524 3.506 -4.621) 5.825 1.342 ( 2.026 3.079 4.972) 6.189 1.397 ( 0.014 4.101 -1.328) 4.310 1.400 ( -3.370 2.708 -0.066) 4.324 1.444 ( -16.986 -0.593 -1.094) 17.031 1.511 ( -11.828 -5.817 1.139) 13.230 1.627 ( -3.894 -0.268 -0.258) 3.911 1.646 ( -3.787 -0.498 3.086) 4.910 1.978 ( 1.369 0.064 -1.024) 1.711 1.996 ( 2.367 -2.198 -0.723) 3.310 2.216 ( 0.215 0.420 -0.730) 0.869 2.236 ( 0.194 -1.600 0.416) 1.665 2.276 ( 0.264 6.534 0.210) 6.543 2.378 ( 0.585 -5.966 0.738) 6.040 2.418 ( -3.288 2.740 0.091) 4.281 2.451 ( -3.200 -1.885 0.281) 3.725 2.505 ( 0.337 0.314 -2.512) 2.554 2.532 ( -0.640 0.256 3.384) 3.454 2.621 ( 2.525 5.971 -0.249) 6.487 2.719 ( 4.917 -6.751 -0.766) 8.386 4.400 ( -2.697 -0.654 -0.215) 2.783 4.404 ( -3.063 -0.855 0.251) 3.190 4.679 ( 0.033 1.610 -0.081) 1.613 4.707 ( 0.342 -1.879 0.354) 1.942 4.766 ( 1.984 -0.039 -0.680) 2.098 4.772 ( 1.568 -0.256 0.378) 1.633 4.886 ( 3.760 -0.037 -0.289) 3.772 4.888 ( 3.751 -0.084 0.288) 3.763 5.906 ( -2.827 0.532 -0.328) 2.896 5.919 ( -3.076 -0.881 0.251) 3.209 6.096 ( -0.088 0.305 -0.341) 0.466 6.101 ( -0.257 -0.047 0.260) 0.368 7.360 ( 7.160 0.105 -0.061) 7.161 7.362 ( 6.985 -0.097 0.007) 6.986 7.669 ( -7.042 0.245 -0.310) 7.053 7.672 ( -7.066 0.128 0.383) 7.078 12.254 ( 0.290 0.216 -0.209) 0.418 12.261 ( 0.277 -0.302 0.298) 0.507 12.581 ( -1.838 2.108 0.150) 2.800 12.616 ( -1.078 -2.610 0.064) 2.825 12.811 ( -0.290 3.320 -1.413) 3.619 12.870 ( 0.728 -3.094 0.851) 3.290 13.051 ( 0.351 3.552 -0.024) 3.569 13.101 ( -0.636 -3.020 0.079) 3.087======================= Grid point 434 (151/171) =======================q-point: ( 0.60 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.878 ( 0.152 -0.000 -7.196) 7.197 0.930 ( 0.047 0.000 0.002) 0.047 0.991 ( -2.152 0.000 3.020) 3.709 1.006 ( -3.759 0.000 2.854) 4.720 1.246 ( 1.183 -0.000 -2.336) 2.619 1.313 ( 3.302 0.000 3.127) 4.548 1.358 ( 2.560 0.000 0.921) 2.721 1.370 ( 3.017 0.000 0.507) 3.059 1.626 ( -2.058 -0.000 -2.621) 3.332 1.700 ( -1.345 0.000 5.542) 5.703 1.869 ( -10.884 -0.000 -0.934) 10.924 1.873 ( -10.320 -0.000 -0.302) 10.324 1.970 ( -8.145 -0.000 -2.302) 8.464 2.016 ( -10.999 0.000 2.423) 11.263 2.184 ( 0.461 -0.000 -2.000) 2.053 2.217 ( 0.013 0.000 1.930) 1.930 2.340 ( -4.757 -0.000 -2.817) 5.528 2.361 ( -2.572 -0.000 -1.800) 3.139 2.470 ( -1.072 -0.000 -0.544) 1.202 2.515 ( -3.641 0.000 1.669) 4.005 2.530 ( -4.590 -0.000 -0.675) 4.639 2.557 ( -2.091 0.000 1.435) 2.537 2.606 ( 0.291 0.000 0.538) 0.612 2.625 ( 0.795 0.000 0.828) 1.147 4.456 ( -3.775 -0.000 -0.368) 3.793 4.463 ( -3.709 -0.000 0.390) 3.729 4.674 ( 1.015 -0.000 -1.059) 1.466 4.695 ( 1.401 0.000 1.417) 1.993 4.716 ( 3.307 -0.000 -1.163) 3.506 4.734 ( 3.767 0.000 0.922) 3.878 4.791 ( 7.320 0.000 -0.239) 7.324 4.793 ( 5.569 0.000 -0.047) 5.569 5.966 ( -4.002 -0.000 -1.255) 4.194 5.987 ( -4.452 0.000 1.123) 4.592 6.095 ( 0.061 -0.000 -0.710) 0.712 6.107 ( -0.120 0.000 0.639) 0.650 7.248 ( 5.844 0.000 -0.051) 5.844 7.248 ( 5.885 0.000 -0.053) 5.885 7.781 ( -5.924 -0.000 -0.247) 5.929 7.786 ( -5.645 -0.000 0.300) 5.653 12.250 ( 0.002 -0.000 -0.372) 0.372 12.258 ( 0.193 0.000 0.541) 0.574 12.622 ( -1.741 -0.000 -0.670) 1.866 12.634 ( -2.178 0.000 0.562) 2.250 12.802 ( 0.464 -0.000 -3.577) 3.607 12.868 ( 0.589 0.000 4.026) 4.068 13.073 ( -0.668 -0.000 -1.140) 1.322 13.084 ( 0.248 0.000 0.252) 0.354======================= Grid point 444 (152/171) =======================q-point: ( 0.50 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.759 ( -0.000 9.088 0.177) 9.090 0.783 ( 0.000 5.014 2.019) 5.406 0.793 ( 0.000 5.476 4.019) 6.793 1.011 ( -0.000 -6.086 -3.260) 6.904 1.127 ( -0.000 7.196 -3.244) 7.894 1.288 ( 0.000 -3.066 0.263) 3.077 1.327 ( -0.000 8.182 2.955) 8.700 1.357 ( -0.000 2.201 -2.507) 3.336 1.393 ( -0.000 7.626 0.379) 7.635 1.489 ( -0.000 -0.330 -0.782) 0.849 1.631 ( 0.000 -3.972 3.913) 5.576 1.635 ( 0.000 -3.148 2.537) 4.043 1.987 ( -0.000 -0.918 -2.979) 3.117 2.038 ( -0.000 -3.647 -2.140) 4.228 2.203 ( -0.000 0.969 0.046) 0.971 2.230 ( -0.000 2.221 -1.204) 2.526 2.263 ( 0.000 0.838 2.245) 2.396 2.366 ( -0.000 3.321 0.331) 3.338 2.428 ( 0.000 -0.231 -0.021) 0.232 2.443 ( 0.000 -5.395 1.927) 5.729 2.510 ( -0.000 1.714 -1.804) 2.488 2.523 ( 0.000 -0.224 2.368) 2.378 2.603 ( -0.000 4.192 1.478) 4.445 2.821 ( 0.000 -8.147 -2.265) 8.456 4.382 ( 0.000 -1.486 0.062) 1.488 4.386 ( 0.000 -1.702 0.036) 1.702 4.667 ( -0.000 1.759 0.510) 1.831 4.726 ( 0.000 -2.003 -0.010) 2.003 4.784 ( -0.000 -0.197 -0.342) 0.394 4.787 ( -0.000 -0.630 -0.439) 0.768 4.916 ( 0.000 0.296 0.118) 0.318 4.922 ( 0.000 -0.208 0.134) 0.247 5.878 ( -0.000 0.243 0.079) 0.255 5.898 ( 0.000 -1.085 -0.166) 1.098 6.092 ( -0.000 0.510 -0.056) 0.513 6.098 ( -0.000 0.076 -0.147) 0.165 7.452 ( -0.000 0.033 -0.038) 0.050 7.453 ( -0.000 -0.061 -0.054) 0.082 7.575 ( -0.000 0.511 0.201) 0.549 7.580 ( -0.000 0.383 0.060) 0.388 12.256 ( 0.000 0.225 0.137) 0.264 12.267 ( 0.000 -0.493 -0.003) 0.493 12.546 ( -0.000 2.568 0.550) 2.626 12.629 ( 0.000 -2.877 -0.012) 2.877 12.773 ( -0.000 4.219 -0.500) 4.248 12.904 ( -0.000 -4.285 -2.131) 4.786 13.035 ( 0.000 3.090 1.434) 3.406 13.108 ( 0.000 -1.554 -0.015) 1.554======================= Grid point 445 (153/171) =======================q-point: ( 0.60 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( -0.966 4.284 -3.373) 5.538 0.891 ( -4.107 2.734 3.094) 5.824 0.918 ( -5.854 2.550 3.577) 7.319 0.976 ( -2.573 -3.671 -0.158) 4.486 1.249 ( -1.628 2.595 -4.921) 5.797 1.369 ( -1.403 3.854 -5.011) 6.476 1.386 ( 0.990 4.557 4.885) 6.753 1.402 ( -3.314 1.365 0.689) 3.649 1.438 ( -13.436 -1.170 -0.019) 13.487 1.522 ( -13.524 -4.088 1.101) 14.171 1.634 ( -3.189 -1.034 1.997) 3.903 1.685 ( -3.350 -0.010 5.731) 6.638 1.962 ( 0.974 0.336 -2.604) 2.800 1.983 ( 1.853 -2.166 -2.425) 3.742 2.207 ( 0.701 -0.125 -1.234) 1.425 2.238 ( -1.335 -0.497 -0.190) 1.437 2.283 ( 2.026 5.457 1.591) 6.035 2.389 ( 1.747 -4.791 1.534) 5.326 2.420 ( -3.065 2.827 0.388) 4.188 2.455 ( -3.411 -1.913 0.577) 3.953 2.491 ( 0.901 0.505 -0.578) 1.183 2.557 ( -0.700 1.196 1.957) 2.398 2.620 ( 1.794 3.575 0.411) 4.021 2.706 ( 4.410 -6.202 -2.209) 7.924 4.398 ( -2.667 -0.743 -0.220) 2.778 4.406 ( -3.057 -0.741 0.312) 3.161 4.678 ( 0.456 1.096 -0.108) 1.192 4.713 ( -0.013 -1.270 0.884) 1.547 4.759 ( 2.132 -0.224 -0.912) 2.330 4.774 ( 1.210 -0.144 0.065) 1.220 4.883 ( 3.938 -0.024 -0.273) 3.947 4.891 ( 3.766 -0.106 0.269) 3.777 5.902 ( -2.524 0.207 -0.587) 2.600 5.922 ( -3.377 -0.585 0.384) 3.448 6.093 ( 0.078 0.218 -0.465) 0.520 6.104 ( -0.458 0.039 0.252) 0.525 7.359 ( 7.172 0.060 -0.130) 7.173 7.362 ( 6.988 -0.065 -0.012) 6.988 7.666 ( -6.965 0.210 -0.253) 6.973 7.676 ( -7.117 0.128 0.439) 7.131 12.252 ( 0.448 0.058 -0.228) 0.506 12.264 ( 0.114 -0.128 0.463) 0.494 12.584 ( -1.649 2.009 0.424) 2.633 12.617 ( -0.995 -2.372 0.149) 2.577 12.792 ( 0.628 1.877 -2.685) 3.336 12.880 ( -1.154 -1.566 1.172) 2.271 13.051 ( 0.858 2.891 -0.007) 3.015 13.102 ( -0.445 -2.503 0.179) 2.548======================= Grid point 446 (154/171) =======================q-point: ( 0.70 0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.812 ( 1.419 -0.000 -8.019) 8.144 0.931 ( 1.365 0.000 0.328) 1.404 1.023 ( -4.501 0.000 1.287) 4.682 1.026 ( -1.587 0.000 4.947) 5.196 1.234 ( -0.160 -0.000 -0.632) 0.653 1.309 ( 4.377 -0.000 -2.853) 5.225 1.373 ( 2.194 0.000 0.156) 2.199 1.395 ( 0.830 0.000 6.131) 6.187 1.613 ( -1.756 -0.000 -0.379) 1.797 1.748 ( -0.133 0.000 5.320) 5.321 1.856 ( -9.419 -0.000 -2.196) 9.671 1.869 ( -8.941 -0.000 -0.623) 8.962 1.957 ( -9.561 -0.000 -0.632) 9.582 2.032 ( -15.111 -0.000 1.395) 15.175 2.166 ( 1.505 -0.000 -2.010) 2.511 2.233 ( 0.925 0.000 1.957) 2.165 2.315 ( -3.803 -0.000 -3.032) 4.864 2.335 ( 1.088 -0.000 -3.604) 3.765 2.481 ( -2.248 0.000 2.591) 3.430 2.516 ( -2.788 -0.000 -1.512) 3.172 2.527 ( -4.488 -0.000 -0.109) 4.490 2.557 ( -4.024 -0.000 -0.292) 4.034 2.628 ( 0.388 -0.000 -0.349) 0.522 2.630 ( -0.340 0.000 4.054) 4.068 4.453 ( -3.793 -0.000 -0.293) 3.804 4.466 ( -3.660 -0.000 0.327) 3.675 4.666 ( 0.903 -0.000 -0.781) 1.194 4.706 ( 3.225 -0.000 -1.160) 3.427 4.708 ( 1.667 0.000 1.424) 2.193 4.742 ( 4.100 0.000 0.834) 4.184 4.789 ( 7.965 0.000 -0.219) 7.968 4.792 ( 4.589 0.000 -0.370) 4.604 5.956 ( -3.818 -0.000 -1.113) 3.977 5.996 ( -4.675 0.000 0.900) 4.761 6.089 ( 0.112 -0.000 -0.626) 0.636 6.112 ( -0.233 0.000 0.513) 0.563 7.247 ( 6.088 0.000 -0.089) 6.089 7.247 ( 5.614 0.000 -0.080) 5.615 7.779 ( -6.022 -0.000 -0.184) 6.025 7.788 ( -5.492 -0.000 0.268) 5.499 12.248 ( -0.073 -0.000 -0.235) 0.246 12.263 ( 0.293 0.000 0.515) 0.592 12.617 ( -1.407 -0.000 -0.603) 1.531 12.638 ( -2.109 -0.000 0.372) 2.141 12.774 ( 0.046 -0.000 -2.930) 2.930 12.903 ( 0.366 0.000 3.969) 3.986 13.061 ( -0.937 -0.000 -1.699) 1.940 13.085 ( 0.770 0.000 0.002) 0.770======================= Grid point 456 (155/171) =======================q-point: ( 0.60 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.762 ( -0.000 7.476 0.639) 7.503 0.808 ( 0.000 5.145 3.698) 6.336 0.842 ( -0.000 4.948 7.195) 8.732 0.974 ( -0.000 -4.372 -5.318) 6.885 1.092 ( -0.000 7.585 -4.665) 8.904 1.282 ( 0.000 -3.929 -2.830) 4.842 1.333 ( -0.000 3.079 -1.630) 3.484 1.355 ( -0.000 6.398 3.223) 7.164 1.403 ( -0.000 6.650 1.662) 6.854 1.480 ( -0.000 -0.221 -1.341) 1.359 1.667 ( -0.000 -2.218 5.014) 5.483 1.673 ( -0.000 -3.211 5.624) 6.476 1.953 ( 0.000 -0.227 -4.685) 4.690 2.011 ( 0.000 -3.421 -4.059) 5.309 2.203 ( 0.000 0.632 0.089) 0.638 2.221 ( -0.000 1.047 -0.879) 1.367 2.284 ( -0.000 2.532 2.790) 3.768 2.370 ( 0.000 3.291 0.661) 3.356 2.427 ( 0.000 0.255 -0.319) 0.409 2.462 ( -0.000 -1.798 1.417) 2.289 2.496 ( -0.000 1.050 -0.409) 1.126 2.550 ( -0.000 -1.099 3.734) 3.893 2.618 ( -0.000 1.170 1.721) 2.081 2.793 ( 0.000 -7.778 -4.296) 8.886 4.383 ( -0.000 -1.478 0.109) 1.482 4.387 ( -0.000 -1.673 0.042) 1.674 4.673 ( -0.000 1.618 0.978) 1.890 4.726 ( -0.000 -1.631 -0.111) 1.634 4.781 ( -0.000 -0.265 -0.548) 0.609 4.782 ( -0.000 -0.661 -0.738) 0.991 4.917 ( -0.000 0.246 0.212) 0.325 4.923 ( -0.000 -0.232 0.169) 0.287 5.879 ( 0.000 0.084 0.158) 0.179 5.896 ( -0.000 -1.034 -0.301) 1.077 6.091 ( 0.000 0.479 -0.083) 0.486 6.096 ( 0.000 0.126 -0.242) 0.273 7.451 ( 0.000 0.010 -0.059) 0.060 7.452 ( -0.000 -0.070 -0.090) 0.114 7.577 ( -0.000 0.399 0.301) 0.500 7.580 ( -0.000 0.359 0.105) 0.374 12.258 ( -0.000 0.198 0.240) 0.311 12.267 ( -0.000 -0.408 -0.020) 0.408 12.553 ( 0.000 2.496 1.068) 2.715 12.628 ( 0.000 -2.236 -0.323) 2.259 12.769 ( 0.000 3.537 -0.404) 3.560 12.881 ( -0.000 -3.354 -3.207) 4.640 13.050 ( 0.000 2.192 1.927) 2.919 13.108 ( 0.000 -1.229 -0.135) 1.237======================= Grid point 457 (156/171) =======================q-point: ( 0.70 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.802 ( 1.362 2.567 -3.968) 4.918 0.919 ( -3.911 0.551 2.584) 4.719 0.948 ( -3.528 2.410 3.066) 5.259 0.990 ( -5.409 0.262 4.382) 6.967 1.206 ( -3.519 2.107 -5.187) 6.613 1.317 ( -3.395 2.962 -6.742) 8.109 1.404 ( -0.850 2.163 0.687) 2.423 1.428 ( -0.948 3.528 3.798) 5.270 1.441 ( -11.768 -0.693 0.578) 11.803 1.529 ( -14.559 -3.185 0.503) 14.912 1.662 ( -1.644 -1.262 4.464) 4.922 1.739 ( -3.104 0.184 6.643) 7.335 1.934 ( -0.048 0.681 -4.054) 4.111 1.956 ( 1.509 -2.079 -3.710) 4.512 2.196 ( 1.169 -0.417 -1.141) 1.686 2.233 ( -1.799 0.175 -0.768) 1.964 2.303 ( 3.137 4.881 3.099) 6.578 2.401 ( 4.155 -2.681 1.238) 5.097 2.425 ( -3.216 2.734 0.703) 4.279 2.458 ( -3.267 -1.138 0.001) 3.459 2.497 ( 0.129 -0.048 1.785) 1.791 2.559 ( 1.589 1.396 -1.162) 2.414 2.633 ( -0.611 0.364 2.377) 2.481 2.682 ( 3.482 -5.189 -3.383) 7.106 4.396 ( -2.588 -0.774 -0.154) 2.705 4.409 ( -3.080 -0.666 0.264) 3.162 4.677 ( 0.970 0.586 0.004) 1.133 4.721 ( -0.378 -0.510 1.100) 1.270 4.751 ( 2.152 -0.459 -0.829) 2.351 4.773 ( 0.810 -0.123 -0.352) 0.892 4.881 ( 4.186 -0.024 -0.228) 4.192 4.893 ( 3.830 -0.121 0.217) 3.838 5.897 ( -2.243 0.000 -0.551) 2.310 5.925 ( -3.654 -0.427 0.301) 3.692 6.089 ( 0.204 0.196 -0.421) 0.508 6.105 ( -0.641 0.060 0.160) 0.663 7.358 ( 7.198 0.026 -0.139) 7.199 7.362 ( 6.984 -0.054 -0.037) 6.985 7.664 ( -6.900 0.188 -0.160) 6.904 7.680 ( -7.141 0.094 0.384) 7.152 12.251 ( 0.564 -0.007 -0.136) 0.581 12.268 ( -0.013 -0.037 0.432) 0.434 12.588 ( -1.283 1.760 0.611) 2.262 12.619 ( -0.907 -1.820 0.130) 2.037 12.769 ( 1.175 0.814 -2.643) 3.005 12.888 ( -3.264 -0.450 0.694) 3.367 13.051 ( 1.703 1.931 0.085) 2.576 13.104 ( -0.173 -1.774 0.176) 1.791======================= Grid point 458 (157/171) =======================q-point: ( 0.80 0.20 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.747 ( 2.634 -0.000 -6.766) 7.261 0.935 ( 2.787 0.000 0.464) 2.826 1.031 ( -4.707 -0.000 0.576) 4.742 1.073 ( -0.623 0.000 5.892) 5.925 1.232 ( -1.932 -0.000 -0.131) 1.936 1.277 ( 3.517 -0.000 -4.417) 5.646 1.373 ( 1.525 0.000 0.050) 1.526 1.445 ( 0.155 0.000 5.108) 5.110 1.622 ( -1.536 0.000 2.526) 2.956 1.786 ( 1.940 0.000 3.379) 3.897 1.830 ( -6.491 -0.000 -3.962) 7.605 1.863 ( -8.555 -0.000 -0.617) 8.577 1.961 ( -11.866 -0.000 1.627) 11.977 2.040 ( -20.287 -0.000 0.386) 20.290 2.150 ( 2.519 -0.000 -1.676) 3.026 2.250 ( 2.279 0.000 1.821) 2.917 2.289 ( -1.665 -0.000 -2.830) 3.283 2.308 ( 4.184 -0.000 -2.532) 4.890 2.493 ( -2.468 -0.000 -3.332) 4.147 2.506 ( -3.124 0.000 2.822) 4.210 2.529 ( -3.610 0.000 0.840) 3.707 2.559 ( -6.450 -0.000 0.570) 6.475 2.620 ( -0.216 -0.000 -1.523) 1.538 2.663 ( -0.529 0.000 3.467) 3.507 4.451 ( -3.806 -0.000 -0.198) 3.811 4.468 ( -3.613 -0.000 0.230) 3.620 4.661 ( 0.823 -0.000 -0.475) 0.950 4.697 ( 3.245 -0.000 -0.982) 3.390 4.719 ( 1.960 0.000 1.185) 2.290 4.749 ( 4.571 0.000 0.884) 4.656 4.787 ( 3.533 -0.000 -0.732) 3.608 4.787 ( 8.408 0.000 -0.152) 8.410 5.947 ( -3.681 -0.000 -0.834) 3.774 6.002 ( -4.861 -0.000 0.620) 4.900 6.085 ( 0.138 -0.000 -0.466) 0.486 6.116 ( -0.337 0.000 0.354) 0.489 7.247 ( 6.159 0.000 -0.087) 6.159 7.247 ( 5.510 0.000 -0.081) 5.511 7.778 ( -6.089 -0.000 -0.116) 6.090 7.790 ( -5.361 -0.000 0.198) 5.364 12.246 ( -0.131 -0.000 -0.116) 0.175 12.267 ( 0.381 0.000 0.403) 0.555 12.612 ( -1.106 -0.000 -0.461) 1.199 12.640 ( -1.802 -0.000 0.138) 1.808 12.753 ( -0.568 -0.000 -2.011) 2.089 12.936 ( 0.033 0.000 3.805) 3.805 13.044 ( -1.033 -0.000 -2.261) 2.486 13.084 ( 1.227 0.000 -0.104) 1.231======================= Grid point 469 (158/171) =======================q-point: ( 0.70 0.30 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.772 ( -0.000 5.676 1.681) 5.920 0.845 ( 0.000 4.829 4.621) 6.683 0.912 ( -0.000 3.399 8.729) 9.368 0.925 ( -0.000 -1.804 -5.743) 6.020 1.050 ( -0.000 8.224 -4.961) 9.605 1.236 ( 0.000 -0.854 -7.249) 7.299 1.337 ( -0.000 0.468 1.813) 1.872 1.377 ( -0.000 3.909 1.760) 4.287 1.418 ( -0.000 5.545 1.721) 5.806 1.467 ( -0.000 0.504 -1.572) 1.651 1.719 ( -0.000 -1.339 7.001) 7.128 1.723 ( -0.000 -2.241 5.896) 6.308 1.910 ( 0.000 0.243 -5.226) 5.231 1.970 ( 0.000 -2.929 -5.672) 6.384 2.204 ( 0.000 0.252 0.129) 0.283 2.214 ( -0.000 0.416 -0.596) 0.727 2.310 ( -0.000 4.002 3.219) 5.136 2.376 ( 0.000 3.358 0.758) 3.443 2.423 ( 0.000 0.911 -0.620) 1.102 2.450 ( -0.000 5.772 -3.015) 6.512 2.521 ( 0.000 -5.045 5.208) 7.251 2.583 ( -0.000 -1.897 3.738) 4.192 2.630 ( -0.000 -0.947 1.124) 1.470 2.749 ( 0.000 -7.295 -5.892) 9.378 4.384 ( -0.000 -1.475 0.132) 1.481 4.387 ( -0.000 -1.627 0.012) 1.627 4.683 ( -0.000 1.377 1.340) 1.921 4.724 ( -0.000 -0.994 -0.412) 1.076 4.775 ( -0.000 -0.758 -0.738) 1.057 4.776 ( -0.000 -0.419 -0.570) 0.707 4.919 ( -0.000 0.162 0.263) 0.309 4.924 ( -0.000 -0.226 0.090) 0.243 5.881 ( 0.000 -0.140 0.238) 0.276 5.893 ( -0.000 -0.941 -0.383) 1.016 6.091 ( 0.000 0.433 -0.062) 0.438 6.094 ( 0.000 0.192 -0.258) 0.322 7.451 ( 0.000 -0.021 -0.053) 0.057 7.451 ( -0.000 -0.079 -0.096) 0.124 7.580 ( -0.000 0.288 0.271) 0.396 7.581 ( -0.000 0.319 0.115) 0.339 12.260 ( -0.000 0.148 0.285) 0.321 12.267 ( -0.000 -0.288 -0.061) 0.294 12.564 ( 0.000 2.328 1.517) 2.778 12.622 ( 0.000 -1.061 -0.995) 1.455 12.769 ( -0.000 2.256 0.467) 2.304 12.852 ( 0.000 -2.516 -3.498) 4.309 13.067 ( 0.000 1.456 1.843) 2.349 13.106 ( 0.000 -0.771 -0.391) 0.864======================= Grid point 470 (159/171) =======================q-point: ( 0.80 0.30 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.772 ( 3.151 1.130 -3.067) 4.540 0.926 ( -4.501 0.178 -0.375) 4.520 0.983 ( -1.410 2.067 5.026) 5.614 1.044 ( -6.050 2.382 7.614) 10.013 1.161 ( -5.721 1.692 -5.333) 8.002 1.256 ( -4.085 2.695 -7.672) 9.100 1.410 ( 0.811 1.365 0.539) 1.677 1.445 ( -13.608 -1.358 0.515) 13.685 1.454 ( -0.514 4.621 2.070) 5.090 1.532 ( -15.179 -2.776 0.186) 15.432 1.709 ( -0.215 -1.049 6.475) 6.563 1.794 ( -2.573 0.357 6.177) 6.701 1.891 ( -0.561 0.193 -5.875) 5.905 1.923 ( 0.532 -1.293 -3.903) 4.145 2.188 ( 1.575 -0.586 -0.738) 1.835 2.227 ( -1.580 0.227 -0.667) 1.730 2.334 ( 3.637 5.401 3.854) 7.566 2.407 ( 5.495 1.181 -0.102) 5.621 2.432 ( -2.692 1.469 0.881) 3.191 2.456 ( -2.944 -0.076 -0.446) 2.978 2.515 ( -0.506 -0.672 1.583) 1.793 2.549 ( 2.957 -2.235 -0.220) 3.714 2.650 ( 2.195 -4.061 -3.906) 6.047 2.654 ( -1.853 -0.462 1.950) 2.729 4.395 ( -2.518 -0.787 -0.087) 2.639 4.411 ( -3.093 -0.607 0.173) 3.157 4.678 ( 1.406 0.241 0.093) 1.429 4.730 ( -0.260 0.411 0.761) 0.903 4.746 ( 1.636 -0.963 -0.193) 1.908 4.769 ( 0.540 -0.163 -0.715) 0.911 4.879 ( 4.437 -0.037 -0.153) 4.440 4.894 ( 3.894 -0.124 0.140) 3.898 5.893 ( -2.042 -0.121 -0.381) 2.081 5.927 ( -3.853 -0.354 0.179) 3.873 6.086 ( 0.286 0.188 -0.291) 0.449 6.106 ( -0.779 0.066 0.081) 0.786 7.357 ( 7.223 0.003 -0.104) 7.224 7.362 ( 6.981 -0.053 -0.039) 6.982 7.663 ( -6.850 0.169 -0.083) 6.853 7.682 ( -7.152 0.061 0.259) 7.156 12.250 ( 0.640 -0.037 -0.060) 0.643 12.271 ( -0.100 0.018 0.303) 0.320 12.593 ( -0.775 1.289 0.617) 1.626 12.619 ( -0.941 -0.896 0.016) 1.299 12.749 ( 1.418 -0.028 -1.900) 2.370 12.892 ( -5.041 0.275 0.260) 5.055 13.052 ( 2.541 1.068 0.130) 2.760 13.105 ( 0.062 -1.126 0.112) 1.133======================= Grid point 471 (160/171) =======================q-point: ( 0.90 0.30 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 275Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( 3.531 -0.000 -3.898) 5.259 0.938 ( 3.706 0.000 0.259) 3.715 1.035 ( -4.476 -0.000 0.382) 4.492 1.124 ( 0.803 0.000 5.934) 5.988 1.231 ( -3.467 -0.000 -0.132) 3.470 1.236 ( 2.136 -0.000 -5.094) 5.523 1.374 ( 1.152 0.000 0.035) 1.153 1.477 ( -0.375 0.000 2.334) 2.363 1.655 ( -2.658 0.000 4.921) 5.593 1.789 ( -2.393 -0.000 -5.185) 5.710 1.805 ( 4.455 0.000 1.181) 4.609 1.859 ( -10.005 -0.000 -0.290) 10.009 1.980 ( -13.794 -0.000 2.216) 13.970 2.041 ( -24.757 -0.000 -0.031) 24.757 2.139 ( 3.289 -0.000 -0.933) 3.419 2.262 ( -0.716 0.000 0.349) 0.797 2.270 ( 5.818 0.000 -1.054) 5.913 2.293 ( 6.322 0.000 -1.095) 6.416 2.467 ( -4.285 -0.000 -2.461) 4.941 2.520 ( -4.732 -0.000 0.498) 4.758 2.548 ( -1.368 0.000 3.234) 3.511 2.564 ( -7.188 -0.000 0.442) 7.201 2.602 ( -1.044 -0.000 -2.505) 2.714 2.686 ( -0.613 0.000 1.869) 1.967 4.450 ( -3.815 -0.000 -0.098) 3.817 4.470 ( -3.577 -0.000 0.118) 3.579 4.658 ( 0.752 -0.000 -0.200) 0.779 4.690 ( 3.324 0.000 -0.583) 3.375 4.727 ( 2.232 0.000 0.645) 2.323 4.757 ( 5.635 0.000 1.022) 5.727 4.779 ( 2.013 -0.000 -0.976) 2.237 4.786 ( 8.660 0.000 -0.075) 8.661 5.942 ( -3.596 -0.000 -0.446) 3.624 6.006 ( -4.984 -0.000 0.314) 4.994 6.082 ( 0.148 -0.000 -0.248) 0.289 6.118 ( -0.410 0.000 0.180) 0.448 7.246 ( 6.200 0.000 -0.054) 6.201 7.246 ( 5.441 0.000 -0.050) 5.441 7.777 ( -6.127 -0.000 -0.055) 6.127 7.792 ( -5.271 -0.000 0.105) 5.272 12.245 ( -0.168 -0.000 -0.040) 0.173 12.270 ( 0.441 0.000 0.222) 0.494 12.609 ( -0.900 -0.000 -0.252) 0.934 12.640 ( -1.417 -0.000 -0.008) 1.417 12.740 ( -1.164 -0.000 -0.986) 1.525 12.967 ( -0.327 0.000 3.553) 3.568 13.022 ( -0.965 -0.000 -2.777) 2.940 13.084 ( 1.540 0.000 -0.087) 1.543======================= Grid point 473 (161/171) =======================q-point: ( 0.00 -0.60 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.683 ( 3.869 0.000 -0.000) 3.869 0.939 ( 3.981 0.000 -0.000) 3.981 1.036 ( -4.275 -0.000 0.000) 4.275 1.162 ( 2.887 0.000 -0.000) 2.887 1.203 ( 0.071 0.000 -0.000) 0.071 1.230 ( -4.087 -0.000 0.000) 4.087 1.374 ( 1.041 0.000 -0.000) 1.041 1.486 ( -0.508 -0.000 0.000) 0.508 1.686 ( -5.700 -0.000 0.000) 5.700 1.758 ( 1.779 0.000 -0.000) 1.779 1.809 ( 5.593 0.000 -0.000) 5.593 1.858 ( -10.939 -0.000 0.000) 10.939 1.991 ( -14.698 -0.000 0.000) 14.698 2.041 ( -26.524 -0.000 0.000) 26.524 2.135 ( 3.618 0.000 -0.000) 3.618 2.257 ( -1.443 -0.000 0.000) 1.443 2.271 ( 8.989 0.000 -0.000) 8.989 2.288 ( 7.071 0.000 -0.000) 7.071 2.455 ( -5.461 -0.000 0.000) 5.461 2.521 ( -4.843 -0.000 0.000) 4.843 2.566 ( -7.371 -0.000 0.000) 7.371 2.572 ( 1.784 0.000 -0.000) 1.784 2.581 ( -4.131 -0.000 0.000) 4.131 2.695 ( -0.637 -0.000 0.000) 0.637 4.449 ( -3.819 -0.000 0.000) 3.819 4.470 ( -3.564 -0.000 0.000) 3.564 4.657 ( 0.716 0.000 -0.000) 0.716 4.687 ( 3.372 0.000 -0.000) 3.372 4.730 ( 2.352 0.000 -0.000) 2.352 4.764 ( 8.791 0.000 -0.000) 8.791 4.773 ( -1.327 -0.000 0.000) 1.327 4.786 ( 8.741 0.000 -0.000) 8.741 5.940 ( -3.568 -0.000 0.000) 3.568 6.007 ( -5.027 -0.000 0.000) 5.027 6.081 ( 0.150 0.000 -0.000) 0.150 6.119 ( -0.437 -0.000 0.000) 0.437 7.246 ( 6.214 0.000 -0.000) 6.214 7.246 ( 5.417 0.000 -0.000) 5.417 7.777 ( -6.139 -0.000 0.000) 6.139 7.792 ( -5.240 -0.000 0.000) 5.240 12.245 ( -0.181 -0.000 0.000) 0.181 12.271 ( 0.463 0.000 -0.000) 0.463 12.608 ( -0.827 -0.000 0.000) 0.827 12.640 ( -1.240 -0.000 0.000) 1.240 12.736 ( -1.415 -0.000 0.000) 1.415 12.996 ( 3.588 0.000 -0.000) 3.588 12.997 ( -4.982 -0.000 0.000) 4.982 13.083 ( 1.652 0.000 -0.000) 1.652======================= Grid point 484 (162/171) =======================q-point: ( 0.80 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 282Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.792 ( 0.000 3.539 3.100) 4.704 0.864 ( -0.000 -1.088 -3.504) 3.669 0.900 ( 0.000 6.382 3.389) 7.226 0.973 ( -0.000 1.914 1.770) 2.607 1.023 ( -0.000 8.567 2.350) 8.883 1.166 ( 0.000 1.255 -8.768) 8.857 1.356 ( -0.000 -0.693 2.377) 2.476 1.384 ( -0.000 1.245 -0.239) 1.267 1.431 ( -0.000 4.636 1.437) 4.853 1.454 ( -0.000 2.038 -1.422) 2.485 1.773 ( -0.000 -1.214 5.632) 5.761 1.784 ( 0.000 -1.071 7.943) 8.015 1.865 ( 0.000 0.217 -5.277) 5.281 1.915 ( 0.000 -2.199 -6.964) 7.303 2.206 ( 0.000 -0.018 0.178) 0.179 2.210 ( -0.000 0.050 -0.389) 0.393 2.339 ( -0.000 5.328 3.463) 6.355 2.380 ( 0.000 4.052 -0.141) 4.054 2.417 ( 0.000 1.689 -0.715) 1.834 2.424 ( -0.000 5.733 -2.653) 6.317 2.573 ( 0.000 -5.690 6.693) 8.785 2.611 ( -0.000 -2.306 2.785) 3.616 2.635 ( -0.000 -2.194 0.003) 2.194 2.694 ( -0.000 -6.850 -6.892) 9.717 4.385 ( -0.000 -1.487 0.126) 1.493 4.387 ( -0.000 -1.571 -0.040) 1.572 4.695 ( -0.000 1.022 1.505) 1.819 4.718 ( -0.000 -0.194 -0.925) 0.946 4.770 ( -0.000 -0.876 -0.382) 0.956 4.771 ( -0.000 -0.644 -0.414) 0.765 4.922 ( 0.000 0.050 0.253) 0.258 4.925 ( -0.000 -0.169 -0.047) 0.176 5.883 ( 0.000 -0.384 0.315) 0.497 5.890 ( -0.000 -0.800 -0.406) 0.897 6.090 ( 0.000 0.380 0.007) 0.380 6.092 ( 0.000 0.259 -0.203) 0.329 7.450 ( 0.000 -0.050 -0.021) 0.055 7.451 ( -0.000 -0.081 -0.071) 0.108 7.582 ( -0.000 0.228 0.154) 0.275 7.582 ( -0.000 0.268 0.076) 0.279 12.263 ( -0.000 0.071 0.269) 0.279 12.266 ( -0.000 -0.156 -0.129) 0.202 12.579 ( -0.000 1.983 1.839) 2.704 12.611 ( 0.000 0.292 -1.651) 1.677 12.778 ( -0.000 0.704 1.667) 1.810 12.822 ( 0.000 -1.672 -3.288) 3.688 13.081 ( 0.000 0.850 1.532) 1.752 13.101 ( 0.000 -0.249 -0.745) 0.785======================= Grid point 485 (163/171) =======================q-point: ( 0.90 0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 500Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.753 ( 4.115 0.368 -1.147) 4.288 0.922 ( -4.875 0.689 -0.299) 4.933 1.024 ( 1.718 2.396 3.601) 4.654 1.113 ( -6.158 2.358 7.704) 10.141 1.120 ( -9.196 1.160 -3.165) 9.794 1.188 ( -4.064 2.885 -8.007) 9.432 1.413 ( 1.735 1.006 0.210) 2.017 1.448 ( -13.783 -1.364 0.180) 13.852 1.465 ( -1.307 4.586 0.628) 4.810 1.532 ( -15.492 -2.606 0.044) 15.709 1.768 ( 0.635 -0.703 7.126) 7.189 1.829 ( -0.404 0.989 -3.961) 4.103 1.849 ( -1.387 -0.977 2.044) 2.656 1.889 ( -1.457 -0.609 -4.066) 4.362 2.184 ( 1.793 -0.668 -0.247) 1.929 2.223 ( -1.351 0.170 -0.254) 1.385 2.366 ( 4.022 6.065 3.297) 7.989 2.398 ( 4.928 5.003 -1.828) 7.256 2.439 ( -1.551 0.280 0.582) 1.681 2.452 ( -2.834 0.300 -0.428) 2.882 2.516 ( 2.301 -3.632 -0.454) 4.323 2.565 ( 0.883 -4.194 2.728) 5.081 2.616 ( 1.432 -2.180 -3.358) 4.252 2.667 ( -2.469 -0.859 0.786) 2.730 4.395 ( -2.478 -0.792 -0.028) 2.602 4.412 ( -3.097 -0.573 0.060) 3.150 4.678 ( 1.664 0.069 0.057) 1.667 4.733 ( 0.919 0.792 0.012) 1.213 4.749 ( -0.145 -1.064 0.638) 1.249 4.762 ( 0.741 -0.252 -0.726) 1.067 4.878 ( 4.595 -0.051 -0.054) 4.595 4.895 ( 3.930 -0.122 0.048) 3.932 5.891 ( -1.938 -0.180 -0.136) 1.951 5.928 ( -3.956 -0.324 0.058) 3.970 6.084 ( 0.325 0.185 -0.104) 0.388 6.107 ( -0.854 0.067 0.024) 0.857 7.357 ( 7.237 -0.008 -0.038) 7.237 7.361 ( 6.980 -0.055 -0.016) 6.980 7.663 ( -6.823 0.157 -0.025) 6.825 7.684 ( -7.155 0.042 0.091) 7.155 12.250 ( 0.676 -0.048 -0.015) 0.678 12.273 ( -0.145 0.045 0.109) 0.187 12.598 ( -0.296 0.712 0.291) 0.824 12.619 ( -1.122 0.077 -0.040) 1.125 12.738 ( 1.507 -0.597 -0.692) 1.763 12.893 ( -6.050 0.643 0.051) 6.085 13.053 ( 3.043 0.570 0.062) 3.096 13.106 ( 0.192 -0.749 0.037) 0.774======================= Grid point 496 (164/171) =======================q-point: (-0.10 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.825 ( -0.000 1.129 -4.173) 4.323 0.825 ( 0.000 1.129 4.173) 4.323 0.943 ( -0.000 5.975 -5.342) 8.015 0.943 ( 0.000 5.975 5.342) 8.015 1.088 ( -0.000 3.307 -9.230) 9.805 1.088 ( 0.000 3.307 9.230) 9.805 1.374 ( -0.000 -0.495 -1.647) 1.720 1.374 ( 0.000 -0.495 1.647) 1.720 1.443 ( -0.000 3.606 -1.143) 3.783 1.443 ( 0.000 3.606 1.143) 3.783 1.819 ( -0.000 -0.344 -5.316) 5.327 1.819 ( 0.000 -0.344 5.316) 5.327 1.852 ( -0.000 -1.439 -7.789) 7.921 1.852 ( 0.000 -1.439 7.789) 7.921 2.207 ( -0.000 -0.093 -0.197) 0.218 2.207 ( 0.000 -0.093 0.197) 0.218 2.367 ( -0.000 5.817 -2.826) 6.467 2.367 ( 0.000 5.817 2.826) 6.467 2.413 ( -0.000 2.983 -0.001) 2.983 2.413 ( -0.000 2.983 0.001) 2.983 2.629 ( 0.000 -0.623 -0.128) 0.636 2.629 ( 0.000 -0.623 0.128) 0.636 2.634 ( -0.000 -8.130 -6.077) 10.150 2.634 ( 0.000 -8.130 6.077) 10.150 4.386 ( 0.000 -1.521 -0.043) 1.521 4.386 ( 0.000 -1.521 0.043) 1.521 4.708 ( -0.000 0.515 -1.260) 1.362 4.708 ( 0.000 0.515 1.260) 1.362 4.769 ( 0.000 -0.843 -0.048) 0.844 4.769 ( 0.000 -0.843 0.048) 0.844 4.924 ( -0.000 -0.069 -0.116) 0.135 4.924 ( 0.000 -0.069 0.116) 0.135 5.886 ( -0.000 -0.612 -0.256) 0.663 5.886 ( 0.000 -0.612 0.256) 0.663 6.091 ( -0.000 0.321 -0.040) 0.324 6.091 ( 0.000 0.321 0.040) 0.324 7.450 ( -0.000 -0.072 -0.015) 0.073 7.450 ( 0.000 -0.072 0.015) 0.073 7.582 ( -0.000 0.229 -0.001) 0.229 7.582 ( 0.000 0.229 0.001) 0.229 12.265 ( -0.000 -0.032 -0.127) 0.131 12.265 ( 0.000 -0.032 0.127) 0.131 12.595 ( -0.000 1.341 -1.909) 2.333 12.595 ( 0.000 1.341 1.909) 2.333 12.797 ( -0.000 -0.641 -2.323) 2.410 12.797 ( 0.000 -0.641 2.323) 2.410 13.093 ( -0.000 0.293 -0.994) 1.036 13.093 ( 0.000 0.293 0.994) 1.036======================= Grid point 538 (165/171) =======================q-point: ( 0.50 -0.10 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.923 ( -0.516 -2.589 -0.000) 2.639 0.923 ( -0.516 2.589 0.000) 2.639 0.982 ( -2.753 -1.836 0.000) 3.310 0.982 ( -2.753 1.836 0.000) 3.310 1.275 ( 1.939 -0.391 0.000) 1.978 1.275 ( 1.939 0.391 0.000) 1.978 1.363 ( 3.576 -2.279 -0.000) 4.240 1.363 ( 3.576 2.279 -0.000) 4.240 1.657 ( -1.956 -0.019 0.000) 1.957 1.657 ( -1.956 0.019 0.000) 1.957 1.873 ( -11.100 -1.855 0.000) 11.254 1.873 ( -11.100 1.855 0.000) 11.254 1.993 ( -8.625 -0.001 0.000) 8.625 1.993 ( -8.625 0.001 0.000) 8.625 2.200 ( -0.139 -1.594 -0.000) 1.600 2.200 ( -0.139 1.594 0.000) 1.600 2.360 ( -4.720 -5.592 0.000) 7.318 2.360 ( -4.720 5.592 0.000) 7.318 2.491 ( -1.344 -0.309 -0.000) 1.379 2.491 ( -1.344 0.309 0.000) 1.379 2.539 ( -3.857 -0.060 0.000) 3.858 2.539 ( -3.857 0.060 0.000) 3.858 2.615 ( 0.873 -2.136 -0.000) 2.307 2.615 ( 0.873 2.136 0.000) 2.307 4.459 ( -3.748 -0.459 0.000) 3.776 4.459 ( -3.748 0.459 0.000) 3.776 4.684 ( 1.179 -0.534 0.000) 1.295 4.684 ( 1.179 0.534 0.000) 1.295 4.726 ( 3.497 -0.405 -0.000) 3.520 4.726 ( 3.497 0.405 0.000) 3.520 4.793 ( 6.499 -0.242 -0.000) 6.504 4.793 ( 6.499 0.242 -0.000) 6.504 5.977 ( -4.219 -0.362 0.000) 4.235 5.977 ( -4.219 0.362 0.000) 4.235 6.101 ( -0.017 -0.095 0.000) 0.097 6.101 ( -0.017 0.095 0.000) 0.097 7.248 ( 5.870 -0.344 -0.000) 5.880 7.248 ( 5.870 0.344 -0.000) 5.880 7.783 ( -5.795 -0.014 0.000) 5.795 7.783 ( -5.795 0.014 0.000) 5.795 12.254 ( 0.093 -0.060 -0.000) 0.111 12.254 ( 0.093 0.060 0.000) 0.111 12.628 ( -2.028 -1.054 0.000) 2.286 12.628 ( -2.028 1.054 0.000) 2.286 12.834 ( 0.637 -0.398 -0.000) 0.752 12.834 ( 0.637 0.398 0.000) 0.752 13.080 ( -0.256 -4.273 -0.000) 4.281 13.080 ( -0.256 4.273 0.000) 4.281======================= Grid point 550 (166/171) =======================q-point: (-0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 93Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.806 ( -0.000 -0.428 -0.000) 0.428 0.806 ( 0.000 0.429 0.000) 0.429 0.912 ( -0.000 -8.794 -0.000) 8.794 0.912 ( 0.000 8.794 0.000) 8.794 1.234 ( -0.000 -5.016 -0.000) 5.016 1.234 ( 0.000 5.016 0.000) 5.016 1.379 ( -0.000 -0.986 -0.000) 0.986 1.379 ( 0.000 0.986 0.000) 0.986 1.474 ( -0.000 -3.046 -0.000) 3.046 1.474 ( 0.000 3.046 0.000) 3.046 1.586 ( -0.000 -0.821 -0.000) 0.821 1.586 ( 0.000 0.821 0.000) 0.821 2.004 ( -0.000 -1.836 -0.000) 1.836 2.004 ( 0.000 1.836 0.000) 1.836 2.220 ( -0.000 -1.462 -0.000) 1.462 2.220 ( 0.000 1.462 0.000) 1.462 2.334 ( -0.000 -7.153 -0.000) 7.153 2.334 ( 0.000 7.153 0.000) 7.153 2.407 ( -0.000 -2.292 -0.000) 2.292 2.407 ( 0.000 2.292 0.000) 2.292 2.517 ( -0.000 -0.283 -0.000) 0.283 2.517 ( 0.000 0.283 0.000) 0.283 2.707 ( -0.000 -8.271 -0.000) 8.271 2.707 ( 0.000 8.271 0.000) 8.271 4.372 ( -0.000 -0.151 -0.000) 0.151 4.372 ( 0.000 0.151 0.000) 0.151 4.694 ( -0.000 -2.140 -0.000) 2.140 4.694 ( 0.000 2.140 0.000) 2.140 4.785 ( -0.000 -0.041 -0.000) 0.041 4.785 ( 0.000 0.041 0.000) 0.041 4.919 ( -0.000 -0.165 -0.000) 0.165 4.919 ( 0.000 0.165 0.000) 0.165 5.885 ( -0.000 -0.710 -0.000) 0.710 5.885 ( 0.000 0.710 0.000) 0.710 6.098 ( -0.000 -0.217 -0.000) 0.217 6.098 ( 0.000 0.217 0.000) 0.217 7.452 ( -0.000 -0.049 -0.000) 0.049 7.452 ( 0.000 0.049 0.000) 0.049 7.580 ( -0.000 -0.222 -0.000) 0.222 7.580 ( 0.000 0.222 0.000) 0.222 12.260 ( -0.000 -0.402 -0.000) 0.402 12.260 ( 0.000 0.402 0.000) 0.402 12.584 ( -0.000 -2.892 -0.000) 2.892 12.584 ( 0.000 2.892 0.000) 2.892 12.843 ( -0.000 -4.702 -0.000) 4.702 12.843 ( 0.000 4.702 0.000) 4.702 13.076 ( -0.000 -2.712 -0.000) 2.712 13.076 ( 0.000 2.712 0.000) 2.712======================= Grid point 562 (167/171) =======================q-point: (-0.40 0.10 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.815 ( 0.000 -0.523 2.014) 2.081 0.815 ( 0.000 0.523 2.014) 2.081 0.909 ( 0.000 -7.846 -0.539) 7.865 0.909 ( -0.000 7.846 -0.539) 7.865 1.224 ( 0.000 -5.622 -2.136) 6.015 1.224 ( -0.000 5.622 -2.136) 6.015 1.379 ( -0.000 -0.018 -0.051) 0.055 1.379 ( 0.000 0.018 -0.051) 0.055 1.472 ( 0.000 -2.838 -0.293) 2.853 1.472 ( -0.000 2.838 -0.293) 2.853 1.604 ( 0.000 -0.178 3.954) 3.958 1.604 ( 0.000 0.178 3.954) 3.958 1.995 ( -0.000 -1.969 -2.213) 2.962 1.995 ( -0.000 1.969 -2.213) 2.962 2.218 ( 0.000 -1.233 -0.439) 1.309 2.218 ( -0.000 1.233 -0.439) 1.309 2.343 ( 0.000 -7.025 2.013) 7.308 2.343 ( -0.000 7.025 2.013) 7.308 2.409 ( 0.000 -2.196 0.440) 2.239 2.409 ( -0.000 2.196 0.440) 2.239 2.522 ( 0.000 -0.021 1.114) 1.114 2.522 ( 0.000 0.021 1.114) 1.114 2.700 ( 0.000 -7.932 -1.585) 8.089 2.700 ( -0.000 7.932 -1.585) 8.089 4.372 ( 0.000 -0.122 0.060) 0.136 4.372 ( 0.000 0.122 0.060) 0.136 4.695 ( 0.000 -2.054 0.312) 2.077 4.695 ( -0.000 2.054 0.312) 2.077 4.783 ( -0.000 -0.003 -0.406) 0.406 4.783 ( -0.000 0.003 -0.406) 0.406 4.919 ( 0.000 -0.150 0.100) 0.180 4.919 ( 0.000 0.150 0.100) 0.180 5.885 ( 0.000 -0.652 -0.078) 0.657 5.885 ( -0.000 0.652 -0.078) 0.657 6.097 ( -0.000 -0.180 -0.096) 0.204 6.097 ( -0.000 0.180 -0.096) 0.204 7.452 ( -0.000 -0.043 -0.057) 0.072 7.452 ( -0.000 0.043 -0.057) 0.072 7.581 ( 0.000 -0.150 0.083) 0.172 7.581 ( 0.000 0.150 0.083) 0.172 12.261 ( 0.000 -0.360 0.086) 0.370 12.261 ( -0.000 0.360 0.086) 0.370 12.586 ( 0.000 -2.823 0.401) 2.852 12.586 ( -0.000 2.823 0.401) 2.852 12.838 ( 0.000 -4.425 -1.133) 4.567 12.838 ( -0.000 4.425 -1.133) 4.567 13.078 ( 0.000 -2.504 0.475) 2.549 13.078 ( -0.000 2.504 0.475) 2.549======================= Grid point 574 (168/171) =======================q-point: (-0.30 0.20 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.835 ( 0.000 -1.713 2.019) 2.648 0.835 ( 0.000 1.713 2.019) 2.648 0.908 ( 0.000 -4.257 0.796) 4.331 0.908 ( -0.000 4.257 0.796) 4.331 1.200 ( -0.000 -6.671 -3.368) 7.472 1.200 ( -0.000 6.671 -3.368) 7.472 1.376 ( 0.000 -2.001 -0.613) 2.092 1.376 ( -0.000 2.001 -0.613) 2.092 1.470 ( 0.000 -2.162 0.019) 2.162 1.470 ( -0.000 2.162 0.019) 2.162 1.649 ( 0.000 -0.003 6.332) 6.332 1.649 ( 0.000 0.003 6.332) 6.332 1.968 ( -0.000 -2.204 -3.897) 4.477 1.968 ( -0.000 2.204 -3.897) 4.477 2.213 ( -0.000 -0.781 -0.575) 0.970 2.213 ( -0.000 0.781 -0.575) 0.970 2.367 ( 0.000 -6.792 3.489) 7.636 2.367 ( 0.000 6.792 3.489) 7.636 2.414 ( 0.000 -1.723 0.709) 1.863 2.414 ( 0.000 1.723 0.709) 1.863 2.534 ( 0.000 -1.060 1.542) 1.871 2.534 ( 0.000 1.060 1.542) 1.871 2.680 ( -0.000 -6.794 -2.835) 7.362 2.680 ( -0.000 6.794 -2.835) 7.362 4.373 ( -0.000 -0.077 0.096) 0.123 4.373 ( 0.000 0.077 0.096) 0.123 4.699 ( 0.000 -1.785 0.568) 1.874 4.699 ( 0.000 1.785 0.568) 1.874 4.778 ( -0.000 -0.004 -0.710) 0.710 4.778 ( -0.000 0.004 -0.710) 0.710 4.920 ( 0.000 -0.124 0.153) 0.197 4.920 ( 0.000 0.124 0.153) 0.197 5.884 ( -0.000 -0.493 -0.126) 0.509 5.884 ( -0.000 0.493 -0.126) 0.509 6.096 ( -0.000 -0.107 -0.155) 0.188 6.096 ( -0.000 0.107 -0.155) 0.188 7.451 ( -0.000 -0.031 -0.092) 0.097 7.451 ( -0.000 0.031 -0.092) 0.097 7.582 ( -0.000 -0.058 0.131) 0.143 7.582 ( 0.000 0.058 0.131) 0.143 12.262 ( 0.000 -0.253 0.140) 0.290 12.262 ( 0.000 0.253 0.140) 0.290 12.591 ( 0.000 -2.584 0.692) 2.676 12.591 ( -0.000 2.584 0.692) 2.676 12.825 ( -0.000 -3.657 -1.809) 4.080 12.825 ( -0.000 3.657 -1.809) 4.080 13.083 ( 0.000 -1.973 0.701) 2.094 13.083 ( 0.000 1.973 0.701) 2.094======================= Grid point 587 (169/171) =======================q-point: (-0.20 0.30 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.842 ( 0.000 -3.325 -0.300) 3.339 0.842 ( -0.000 3.325 -0.300) 3.339 0.930 ( 0.000 -0.777 4.073) 4.146 0.930 ( 0.000 0.777 4.073) 4.146 1.168 ( -0.000 -6.966 -3.972) 8.019 1.168 ( -0.000 6.966 -3.972) 8.019 1.369 ( 0.000 -2.753 -0.860) 2.884 1.369 ( -0.000 2.753 -0.860) 2.884 1.472 ( 0.000 -1.212 0.221) 1.232 1.472 ( -0.000 1.212 0.221) 1.232 1.708 ( 0.000 -0.001 7.236) 7.236 1.708 ( 0.000 0.001 7.236) 7.236 1.930 ( -0.000 -2.231 -5.029) 5.502 1.930 ( -0.000 2.231 -5.029) 5.502 2.209 ( -0.000 -0.375 -0.463) 0.596 2.209 ( -0.000 0.375 -0.463) 0.596 2.398 ( 0.000 -5.045 3.405) 6.086 2.398 ( 0.000 5.045 3.405) 6.086 2.423 ( 0.000 -0.759 1.728) 1.887 2.423 ( 0.000 0.759 1.728) 1.887 2.545 ( 0.000 -3.736 0.637) 3.790 2.545 ( -0.000 3.736 0.637) 3.790 2.654 ( -0.000 -4.461 -3.133) 5.452 2.654 ( -0.000 4.461 -3.133) 5.452 4.373 ( -0.000 -0.038 0.094) 0.102 4.373 ( 0.000 0.038 0.094) 0.102 4.705 ( 0.000 -1.306 0.685) 1.474 4.705 ( 0.000 1.306 0.685) 1.474 4.771 ( -0.000 -0.031 -0.814) 0.815 4.771 ( -0.000 0.031 -0.814) 0.815 4.922 ( 0.000 -0.083 0.144) 0.166 4.922 ( 0.000 0.083 0.144) 0.166 5.883 ( 0.000 -0.277 -0.126) 0.304 5.883 ( 0.000 0.277 -0.126) 0.304 6.095 ( -0.000 -0.046 -0.154) 0.161 6.095 ( 0.000 0.046 -0.154) 0.161 7.451 ( -0.000 -0.016 -0.092) 0.093 7.451 ( -0.000 0.016 -0.092) 0.093 7.583 ( -0.000 -0.015 0.128) 0.129 7.583 ( 0.000 0.015 0.128) 0.129 12.263 ( -0.000 -0.129 0.142) 0.192 12.263 ( 0.000 0.129 0.142) 0.192 12.597 ( 0.000 -2.076 0.761) 2.211 12.597 ( -0.000 2.076 0.761) 2.211 12.809 ( -0.000 -2.468 -1.809) 3.060 12.809 ( -0.000 2.468 -1.809) 3.060 13.089 ( 0.000 -1.273 0.634) 1.422 13.089 ( 0.000 1.273 0.634) 1.422======================= Grid point 600 (170/171) =======================q-point: (-0.10 0.40 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 155Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.836 ( 0.000 -1.754 -0.716) 1.895 0.836 ( 0.000 1.754 -0.716) 1.895 0.968 ( 0.000 -2.438 4.264) 4.912 0.968 ( 0.000 2.438 4.264) 4.912 1.135 ( -0.000 -5.244 -3.567) 6.342 1.135 ( -0.000 5.244 -3.567) 6.342 1.363 ( -0.000 -1.692 -0.568) 1.785 1.363 ( -0.000 1.692 -0.568) 1.785 1.473 ( -0.000 -0.345 0.167) 0.383 1.473 ( 0.000 0.345 0.167) 0.383 1.770 ( 0.000 -0.239 7.150) 7.154 1.770 ( 0.000 0.239 7.150) 7.154 1.883 ( -0.000 -1.834 -5.858) 6.139 1.883 ( -0.000 1.834 -5.858) 6.139 2.206 ( -0.000 -0.100 -0.246) 0.266 2.206 ( 0.000 0.100 -0.246) 0.266 2.414 ( 0.000 -0.143 0.692) 0.706 2.414 ( 0.000 0.143 0.692) 0.706 2.451 ( 0.000 -6.131 4.230) 7.449 2.451 ( 0.000 6.131 4.230) 7.449 2.540 ( 0.000 -6.499 -1.682) 6.713 2.540 ( -0.000 6.499 -1.682) 6.713 2.632 ( -0.000 -1.270 -1.711) 2.131 2.632 ( -0.000 1.270 -1.711) 2.131 4.374 ( -0.000 -0.011 0.057) 0.058 4.374 ( 0.000 0.011 0.057) 0.058 4.710 ( 0.000 -0.576 0.522) 0.777 4.710 ( 0.000 0.576 0.522) 0.777 4.765 ( -0.000 -0.043 -0.596) 0.597 4.765 ( -0.000 0.043 -0.596) 0.597 4.923 ( -0.000 -0.029 0.084) 0.089 4.923 ( 0.000 0.029 0.084) 0.089 5.882 ( -0.000 -0.081 -0.078) 0.112 5.882 ( 0.000 0.081 -0.078) 0.112 6.094 ( -0.000 -0.011 -0.095) 0.096 6.094 ( 0.000 0.011 -0.095) 0.096 7.450 ( -0.000 -0.004 -0.057) 0.057 7.450 ( -0.000 0.004 -0.057) 0.057 7.584 ( -0.000 -0.002 0.077) 0.077 7.584 ( 0.000 0.002 0.077) 0.077 12.264 ( -0.000 -0.035 0.088) 0.095 12.264 ( 0.000 0.035 0.088) 0.095 12.603 ( 0.000 -1.179 0.516) 1.287 12.603 ( 0.000 1.179 0.516) 1.287 12.796 ( -0.000 -0.946 -1.135) 1.478 12.796 ( 0.000 0.946 -1.135) 1.478 13.094 ( 0.000 -0.504 0.364) 0.622 13.094 ( 0.000 0.504 0.364) 0.622======================= Grid point 602 (171/171) =======================q-point: ( 0.00 0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 93Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.833 ( -0.000 0.000 -0.000) 0.000 0.833 ( 0.000 0.000 -0.000) 0.000 0.990 ( -0.000 0.000 -0.000) 0.000 0.990 ( 0.000 0.000 -0.000) 0.000 1.117 ( -0.000 0.000 -0.000) 0.000 1.117 ( 0.000 0.000 -0.000) 0.000 1.360 ( -0.000 0.000 -0.000) 0.000 1.360 ( 0.000 0.000 -0.000) 0.000 1.474 ( -0.000 0.000 -0.000) 0.000 1.474 ( 0.000 0.000 -0.000) 0.000 1.825 ( -0.000 0.000 0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 1.834 ( -0.000 0.000 -0.000) 0.000 1.834 ( 0.000 0.000 -0.000) 0.000 2.205 ( -0.000 0.000 -0.000) 0.000 2.205 ( 0.000 0.000 -0.000) 0.000 2.417 ( -0.000 0.000 -0.000) 0.000 2.417 ( 0.000 0.000 -0.000) 0.000 2.476 ( -0.000 -0.000 -0.000) 0.000 2.476 ( 0.000 -0.000 -0.000) 0.000 2.527 ( -0.000 0.000 -0.000) 0.000 2.527 ( 0.000 0.000 -0.000) 0.000 2.625 ( -0.000 0.000 -0.000) 0.000 2.625 ( 0.000 0.000 -0.000) 0.000 4.374 ( -0.000 0.000 -0.000) 0.000 4.374 ( 0.000 0.000 -0.000) 0.000 4.712 ( -0.000 0.000 -0.000) 0.000 4.712 ( 0.000 0.000 -0.000) 0.000 4.762 ( -0.000 0.000 -0.000) 0.000 4.762 ( 0.000 0.000 -0.000) 0.000 4.923 ( -0.000 0.000 -0.000) 0.000 4.923 ( 0.000 0.000 -0.000) 0.000 5.882 ( -0.000 0.000 -0.000) 0.000 5.882 ( 0.000 0.000 -0.000) 0.000 6.093 ( -0.000 0.000 -0.000) 0.000 6.093 ( 0.000 0.000 -0.000) 0.000 7.450 ( -0.000 0.000 -0.000) 0.000 7.450 ( 0.000 0.000 -0.000) 0.000 7.584 ( -0.000 0.000 -0.000) 0.000 7.584 ( 0.000 0.000 -0.000) 0.000 12.264 ( -0.000 0.000 -0.000) 0.000 12.264 ( 0.000 0.000 -0.000) 0.000 12.605 ( -0.000 0.000 -0.000) 0.000 12.605 ( 0.000 0.000 -0.000) 0.000 12.791 ( -0.000 0.000 -0.000) 0.000 12.791 ( 0.000 0.000 -0.000) 0.000 13.095 ( -0.000 0.000 -0.000) 0.000 13.095 ( 0.000 0.000 -0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/48000 10.0 13.872 13.936 20.434 0.000 0.000 -0.000 3/48000 20.0 5.984 4.011 4.704 0.000 0.000 0.000 3/48000 30.0 4.170 2.189 2.426 0.000 0.000 0.000 3/48000 40.0 3.526 1.512 1.644 0.000 0.000 0.000 3/48000 50.0 3.129 1.161 1.252 0.000 0.000 0.000 3/48000 60.0 2.809 0.945 1.013 0.000 0.000 0.000 3/48000 70.0 2.536 0.798 0.852 0.000 0.000 0.000 3/48000 80.0 2.302 0.692 0.736 0.000 0.000 0.000 3/48000 90.0 2.102 0.612 0.649 0.000 0.000 0.000 3/48000 100.0 1.931 0.549 0.580 0.000 0.000 0.000 3/48000 110.0 1.784 0.500 0.525 0.000 0.000 0.000 3/48000 120.0 1.656 0.460 0.481 0.000 0.000 0.000 3/48000 130.0 1.545 0.426 0.443 0.000 0.000 0.000 3/48000 140.0 1.448 0.398 0.412 0.000 0.000 0.000 3/48000 150.0 1.362 0.374 0.384 0.000 0.000 0.000 3/48000 160.0 1.285 0.353 0.361 0.000 0.000 0.000 3/48000 170.0 1.217 0.335 0.340 0.000 0.000 0.000 3/48000 180.0 1.156 0.319 0.322 0.000 0.000 0.000 3/48000 190.0 1.100 0.305 0.306 0.000 0.000 0.000 3/48000 200.0 1.050 0.292 0.291 0.000 0.000 0.000 3/48000 210.0 1.004 0.281 0.278 0.000 0.000 0.000 3/48000 220.0 0.962 0.270 0.266 0.000 0.000 0.000 3/48000 230.0 0.924 0.261 0.255 0.000 0.000 0.000 3/48000 240.0 0.888 0.252 0.245 0.000 0.000 0.000 3/48000 250.0 0.855 0.244 0.236 0.000 0.000 0.000 3/48000 260.0 0.825 0.236 0.228 0.000 0.000 0.000 3/48000 270.0 0.796 0.229 0.220 0.000 0.000 0.000 3/48000 280.0 0.770 0.223 0.213 0.000 0.000 0.000 3/48000 290.0 0.745 0.216 0.206 0.000 0.000 0.000 3/48000 300.0 0.722 0.211 0.199 0.000 0.000 0.000 3/48000 310.0 0.700 0.205 0.194 0.000 0.000 0.000 3/48000 320.0 0.680 0.200 0.188 0.000 0.000 0.000 3/48000 330.0 0.661 0.195 0.183 0.000 0.000 0.000 3/48000 340.0 0.642 0.190 0.178 0.000 0.000 0.000 3/48000 350.0 0.625 0.186 0.173 0.000 0.000 0.000 3/48000 360.0 0.609 0.182 0.169 0.000 0.000 0.000 3/48000 370.0 0.594 0.178 0.165 0.000 0.000 0.000 3/48000 380.0 0.579 0.174 0.161 0.000 0.000 0.000 3/48000 390.0 0.565 0.170 0.157 0.000 0.000 0.000 3/48000 400.0 0.552 0.167 0.153 0.000 0.000 0.000 3/48000 410.0 0.539 0.164 0.150 0.000 0.000 0.000 3/48000 420.0 0.527 0.161 0.147 0.000 0.000 0.000 3/48000 430.0 0.515 0.158 0.143 0.000 0.000 0.000 3/48000 440.0 0.504 0.155 0.140 0.000 0.000 0.000 3/48000 450.0 0.494 0.152 0.138 0.000 0.000 0.000 3/48000 460.0 0.484 0.149 0.135 0.000 0.000 0.000 3/48000 470.0 0.474 0.146 0.132 0.000 0.000 0.000 3/48000 480.0 0.465 0.144 0.130 0.000 0.000 0.000 3/48000 490.0 0.456 0.142 0.127 0.000 0.000 0.000 3/48000 500.0 0.447 0.139 0.125 0.000 0.000 0.000 3/48000 510.0 0.439 0.137 0.123 0.000 0.000 0.000 3/48000 520.0 0.431 0.135 0.121 0.000 0.000 0.000 3/48000 530.0 0.423 0.133 0.119 0.000 0.000 0.000 3/48000 540.0 0.416 0.131 0.117 0.000 0.000 0.000 3/48000 550.0 0.409 0.129 0.115 0.000 0.000 0.000 3/48000 560.0 0.402 0.127 0.113 0.000 0.000 0.000 3/48000 570.0 0.395 0.125 0.111 0.000 0.000 0.000 3/48000 580.0 0.389 0.123 0.109 0.000 0.000 0.000 3/48000 590.0 0.382 0.121 0.108 0.000 0.000 0.000 3/48000 600.0 0.376 0.120 0.106 0.000 0.000 0.000 3/48000 610.0 0.370 0.118 0.104 0.000 0.000 0.000 3/48000 620.0 0.365 0.117 0.103 0.000 0.000 0.000 3/48000 630.0 0.359 0.115 0.101 0.000 0.000 0.000 3/48000 640.0 0.354 0.114 0.100 0.000 0.000 0.000 3/48000 650.0 0.349 0.112 0.098 0.000 0.000 0.000 3/48000 660.0 0.344 0.111 0.097 0.000 0.000 0.000 3/48000 670.0 0.339 0.109 0.096 0.000 0.000 0.000 3/48000 680.0 0.334 0.108 0.094 0.000 0.000 0.000 3/48000 690.0 0.330 0.107 0.093 0.000 0.000 0.000 3/48000 700.0 0.325 0.105 0.092 0.000 0.000 0.000 3/48000 710.0 0.321 0.104 0.091 0.000 0.000 0.000 3/48000 720.0 0.317 0.103 0.090 0.000 0.000 0.000 3/48000 730.0 0.312 0.102 0.089 0.000 0.000 0.000 3/48000 740.0 0.308 0.101 0.087 0.000 0.000 0.000 3/48000 750.0 0.305 0.099 0.086 0.000 0.000 0.000 3/48000 760.0 0.301 0.098 0.085 0.000 0.000 0.000 3/48000 770.0 0.297 0.097 0.084 0.000 0.000 0.000 3/48000 780.0 0.293 0.096 0.083 0.000 0.000 0.000 3/48000 790.0 0.290 0.095 0.082 0.000 0.000 0.000 3/48000 800.0 0.286 0.094 0.081 0.000 0.000 0.000 3/48000 810.0 0.283 0.093 0.081 0.000 0.000 0.000 3/48000 820.0 0.280 0.092 0.080 0.000 0.000 0.000 3/48000 830.0 0.277 0.091 0.079 0.000 0.000 0.000 3/48000 840.0 0.273 0.090 0.078 0.000 0.000 0.000 3/48000 850.0 0.270 0.089 0.077 0.000 0.000 0.000 3/48000 860.0 0.267 0.088 0.076 0.000 0.000 0.000 3/48000 870.0 0.264 0.088 0.076 0.000 0.000 0.000 3/48000 880.0 0.262 0.087 0.075 0.000 0.000 0.000 3/48000 890.0 0.259 0.086 0.074 0.000 0.000 0.000 3/48000 900.0 0.256 0.085 0.073 0.000 0.000 0.000 3/48000 910.0 0.253 0.084 0.072 0.000 0.000 0.000 3/48000 920.0 0.251 0.084 0.072 0.000 0.000 0.000 3/48000 930.0 0.248 0.083 0.071 0.000 0.000 0.000 3/48000 940.0 0.246 0.082 0.070 0.000 0.000 0.000 3/48000 950.0 0.243 0.081 0.070 0.000 0.000 0.000 3/48000 960.0 0.241 0.081 0.069 0.000 0.000 0.000 3/48000 970.0 0.238 0.080 0.068 0.000 0.000 0.000 3/48000 980.0 0.236 0.079 0.068 0.000 0.000 0.000 3/48000 990.0 0.234 0.078 0.067 0.000 0.000 0.000 3/48000 1000.0 0.232 0.078 0.067 0.000 0.000 0.000 3/48000Thermal conductivity related properties were written into "kappa-m101010.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 00:50:31]------------------------- _ 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