# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/62888426-e466-4355-8f2c-d98b671bce9c/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 Cs2NbAgS4 / Fddd (70) / materials id 623028](https://mdr.nims.go.jp/datasets/c0c336ce-35b5-44bb-9362-d7b220de773b) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 20:23:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 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 7.032508235000000 12.151033255000000 b 2.929637210000000 0.000000000000000 12.151033255000000 c 2.929637210000000 7.032508235000000 0.000000000000000Atomic positions (fractional): *1 Cs 0.17935225195171 0.17935225195171 0.82064774804829 132.905 2 Cs 0.82064774804829 0.82064774804829 0.17935225195171 132.905 3 Cs 0.07064774804829 0.07064774804829 0.42935225195171 132.905 4 Cs 0.42935225195171 0.42935225195171 0.07064774804829 132.905 *5 Nb 0.25000000000000 0.25000000000000 0.25000000000000 92.906 6 Nb 0.00000000000000 0.00000000000000 0.00000000000000 92.906 *7 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 8 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868 *9 S 0.82115907569564 0.06935752810117 0.37176267091111 32.065 10 S 0.51227927470792 0.87823732908889 0.18064247189883 32.065 11 S 0.18064247189883 0.42884092430436 0.51227927470792 32.065 12 S 0.87823732908889 0.51227927470792 0.42884092430436 32.065 13 S 0.37176267091111 0.73772072529208 0.82115907569564 32.065 14 S 0.06935752810117 0.82115907569564 0.73772072529208 32.065 15 S 0.42884092430436 0.18064247189883 0.87823732908889 32.065 16 S 0.73772072529208 0.37176267091111 0.06935752810117 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 5.859274420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.065016470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 24.302066510000000Atomic positions (fractional): *1 Cs 0.50000000000000 0.00000000000000 0.67935225195171 132.905 > 1 2 Cs 0.00000000000000 0.00000000000000 0.82064774804829 132.905 > 2 3 Cs 0.25000000000000 0.75000000000000 0.57064774804829 132.905 > 3 4 Cs 0.25000000000000 0.75000000000000 0.92935225195171 132.905 > 4 5 Cs 0.50000000000000 0.50000000000000 0.17935225195171 132.905 > 1 6 Cs 0.00000000000000 0.50000000000000 0.32064774804829 132.905 > 2 7 Cs 0.25000000000000 0.25000000000000 0.07064774804829 132.905 > 3 8 Cs 0.25000000000000 0.25000000000000 0.42935225195171 132.905 > 4 9 Cs 0.00000000000000 0.00000000000000 0.17935225195171 132.905 > 1 10 Cs 0.50000000000000 0.00000000000000 0.32064774804829 132.905 > 2 11 Cs 0.75000000000000 0.75000000000000 0.07064774804829 132.905 > 3 12 Cs 0.75000000000000 0.75000000000000 0.42935225195171 132.905 > 4 13 Cs 0.00000000000000 0.50000000000000 0.67935225195171 132.905 > 1 14 Cs 0.50000000000000 0.50000000000000 0.82064774804829 132.905 > 2 15 Cs 0.75000000000000 0.25000000000000 0.57064774804829 132.905 > 3 16 Cs 0.75000000000000 0.25000000000000 0.92935225195171 132.905 > 4 *17 Nb 0.25000000000000 0.75000000000000 0.75000000000000 92.906 > 5 18 Nb 0.00000000000000 0.00000000000000 0.00000000000000 92.906 > 6 19 Nb 0.25000000000000 0.25000000000000 0.25000000000000 92.906 > 5 20 Nb 0.00000000000000 0.50000000000000 0.50000000000000 92.906 > 6 21 Nb 0.75000000000000 0.75000000000000 0.25000000000000 92.906 > 5 22 Nb 0.50000000000000 0.00000000000000 0.50000000000000 92.906 > 6 23 Nb 0.75000000000000 0.25000000000000 0.75000000000000 92.906 > 5 24 Nb 0.50000000000000 0.50000000000000 0.00000000000000 92.906 > 6 *25 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 7 26 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868 > 8 27 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 7 28 Ag 0.75000000000000 0.25000000000000 0.25000000000000 107.868 > 8 29 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 7 30 Ag 0.25000000000000 0.75000000000000 0.25000000000000 107.868 > 8 31 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 7 32 Ag 0.25000000000000 0.25000000000000 0.75000000000000 107.868 > 8 *33 S 0.72056009950614 0.59646087330338 0.94525830189840 32.065 > 9 34 S 0.02943990049386 0.84646087330338 0.69525830189840 32.065 > 10 35 S 0.47056009950614 0.84646087330338 0.80474169810160 32.065 > 11 36 S 0.47056009950614 0.65353912669662 0.69525830189840 32.065 > 12 37 S 0.77943990049386 0.59646087330338 0.55474169810160 32.065 > 13 38 S 0.77943990049386 0.90353912669662 0.94525830189840 32.065 > 14 39 S 0.02943990049386 0.65353912669662 0.80474169810160 32.065 > 15 40 S 0.72056009950614 0.90353912669662 0.55474169810160 32.065 > 16 41 S 0.72056009950614 0.09646087330338 0.44525830189840 32.065 > 9 42 S 0.02943990049386 0.34646087330338 0.19525830189841 32.065 > 10 43 S 0.47056009950614 0.34646087330338 0.30474169810160 32.065 > 11 44 S 0.47056009950614 0.15353912669662 0.19525830189841 32.065 > 12 45 S 0.77943990049386 0.09646087330338 0.05474169810160 32.065 > 13 46 S 0.77943990049386 0.40353912669662 0.44525830189840 32.065 > 14 47 S 0.02943990049386 0.15353912669662 0.30474169810160 32.065 > 15 48 S 0.72056009950614 0.40353912669662 0.05474169810160 32.065 > 16 49 S 0.22056009950614 0.59646087330338 0.44525830189840 32.065 > 9 50 S 0.52943990049386 0.84646087330338 0.19525830189841 32.065 > 10 51 S 0.97056009950614 0.84646087330338 0.30474169810160 32.065 > 11 52 S 0.97056009950614 0.65353912669662 0.19525830189841 32.065 > 12 53 S 0.27943990049386 0.59646087330338 0.05474169810160 32.065 > 13 54 S 0.27943990049386 0.90353912669662 0.44525830189840 32.065 > 14 55 S 0.52943990049386 0.65353912669662 0.30474169810160 32.065 > 15 56 S 0.22056009950614 0.90353912669662 0.05474169810160 32.065 > 16 57 S 0.22056009950614 0.09646087330338 0.94525830189840 32.065 > 9 58 S 0.52943990049386 0.34646087330338 0.69525830189840 32.065 > 10 59 S 0.97056009950614 0.34646087330338 0.80474169810160 32.065 > 11 60 S 0.97056009950614 0.15353912669662 0.69525830189840 32.065 > 12 61 S 0.27943990049386 0.09646087330338 0.55474169810160 32.065 > 13 62 S 0.27943990049386 0.40353912669662 0.94525830189840 32.065 > 14 63 S 0.52943990049386 0.15353912669662 0.80474169810160 32.065 > 15 64 S 0.22056009950614 0.40353912669662 0.55474169810160 32.065 > 16-------------------------------- super cell --------------------------------Lattice vectors: a 11.718548840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.065016470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 24.302066510000000Atomic positions (fractional): *1 Cs 0.25000000000000 0.00000000000000 0.67935225195171 132.905 > 1 2 Cs 0.75000000000000 0.00000000000000 0.67935225195171 132.905 > 1 3 Cs 0.00000000000000 0.00000000000000 0.82064774804829 132.905 > 2 4 Cs 0.50000000000000 0.00000000000000 0.82064774804829 132.905 > 2 5 Cs 0.12500000000000 0.75000000000000 0.57064774804829 132.905 > 3 6 Cs 0.62500000000000 0.75000000000000 0.57064774804829 132.905 > 3 7 Cs 0.12500000000000 0.75000000000000 0.92935225195171 132.905 > 4 8 Cs 0.62500000000000 0.75000000000000 0.92935225195171 132.905 > 4 9 Cs 0.25000000000000 0.50000000000000 0.17935225195171 132.905 > 1 10 Cs 0.75000000000000 0.50000000000000 0.17935225195171 132.905 > 1 11 Cs 0.00000000000000 0.50000000000000 0.32064774804829 132.905 > 2 12 Cs 0.50000000000000 0.50000000000000 0.32064774804829 132.905 > 2 13 Cs 0.12500000000000 0.25000000000000 0.07064774804829 132.905 > 3 14 Cs 0.62500000000000 0.25000000000000 0.07064774804829 132.905 > 3 15 Cs 0.12500000000000 0.25000000000000 0.42935225195171 132.905 > 4 16 Cs 0.62500000000000 0.25000000000000 0.42935225195171 132.905 > 4 17 Cs 0.00000000000000 0.00000000000000 0.17935225195171 132.905 > 1 18 Cs 0.50000000000000 0.00000000000000 0.17935225195171 132.905 > 1 19 Cs 0.25000000000000 0.00000000000000 0.32064774804829 132.905 > 2 20 Cs 0.75000000000000 0.00000000000000 0.32064774804829 132.905 > 2 21 Cs 0.37500000000000 0.75000000000000 0.07064774804829 132.905 > 3 22 Cs 0.87500000000000 0.75000000000000 0.07064774804829 132.905 > 3 23 Cs 0.37500000000000 0.75000000000000 0.42935225195171 132.905 > 4 24 Cs 0.87500000000000 0.75000000000000 0.42935225195171 132.905 > 4 25 Cs 0.00000000000000 0.50000000000000 0.67935225195171 132.905 > 1 26 Cs 0.50000000000000 0.50000000000000 0.67935225195171 132.905 > 1 27 Cs 0.25000000000000 0.50000000000000 0.82064774804829 132.905 > 2 28 Cs 0.75000000000000 0.50000000000000 0.82064774804829 132.905 > 2 29 Cs 0.37500000000000 0.25000000000000 0.57064774804829 132.905 > 3 30 Cs 0.87500000000000 0.25000000000000 0.57064774804829 132.905 > 3 31 Cs 0.37500000000000 0.25000000000000 0.92935225195171 132.905 > 4 32 Cs 0.87500000000000 0.25000000000000 0.92935225195171 132.905 > 4 *33 Nb 0.12500000000000 0.75000000000000 0.75000000000000 92.906 > 5 34 Nb 0.62500000000000 0.75000000000000 0.75000000000000 92.906 > 5 35 Nb 0.00000000000000 0.00000000000000 0.00000000000000 92.906 > 6 36 Nb 0.50000000000000 0.00000000000000 0.00000000000000 92.906 > 6 37 Nb 0.12500000000000 0.25000000000000 0.25000000000000 92.906 > 5 38 Nb 0.62500000000000 0.25000000000000 0.25000000000000 92.906 > 5 39 Nb 0.00000000000000 0.50000000000000 0.50000000000000 92.906 > 6 40 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 > 6 41 Nb 0.37500000000000 0.75000000000000 0.25000000000000 92.906 > 5 42 Nb 0.87500000000000 0.75000000000000 0.25000000000000 92.906 > 5 43 Nb 0.25000000000000 0.00000000000000 0.50000000000000 92.906 > 6 44 Nb 0.75000000000000 0.00000000000000 0.50000000000000 92.906 > 6 45 Nb 0.37500000000000 0.25000000000000 0.75000000000000 92.906 > 5 46 Nb 0.87500000000000 0.25000000000000 0.75000000000000 92.906 > 5 47 Nb 0.25000000000000 0.50000000000000 0.00000000000000 92.906 > 6 48 Nb 0.75000000000000 0.50000000000000 0.00000000000000 92.906 > 6 *49 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 7 50 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 7 51 Ag 0.37500000000000 0.75000000000000 0.75000000000000 107.868 > 8 52 Ag 0.87500000000000 0.75000000000000 0.75000000000000 107.868 > 8 53 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 7 54 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 7 55 Ag 0.37500000000000 0.25000000000000 0.25000000000000 107.868 > 8 56 Ag 0.87500000000000 0.25000000000000 0.25000000000000 107.868 > 8 57 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 7 58 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 7 59 Ag 0.12500000000000 0.75000000000000 0.25000000000000 107.868 > 8 60 Ag 0.62500000000000 0.75000000000000 0.25000000000000 107.868 > 8 61 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 7 62 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 7 63 Ag 0.12500000000000 0.25000000000000 0.75000000000000 107.868 > 8 64 Ag 0.62500000000000 0.25000000000000 0.75000000000000 107.868 > 8 *65 S 0.36028004975307 0.59646087330338 0.94525830189840 32.065 > 9 66 S 0.86028004975307 0.59646087330338 0.94525830189840 32.065 > 9 67 S 0.01471995024693 0.84646087330338 0.69525830189840 32.065 > 10 68 S 0.51471995024693 0.84646087330338 0.69525830189840 32.065 > 10 69 S 0.23528004975307 0.84646087330338 0.80474169810160 32.065 > 11 70 S 0.73528004975307 0.84646087330338 0.80474169810160 32.065 > 11 71 S 0.23528004975307 0.65353912669662 0.69525830189840 32.065 > 12 72 S 0.73528004975307 0.65353912669662 0.69525830189840 32.065 > 12 73 S 0.38971995024693 0.59646087330338 0.55474169810160 32.065 > 13 74 S 0.88971995024693 0.59646087330338 0.55474169810160 32.065 > 13 75 S 0.38971995024693 0.90353912669662 0.94525830189840 32.065 > 14 76 S 0.88971995024693 0.90353912669662 0.94525830189840 32.065 > 14 77 S 0.01471995024693 0.65353912669662 0.80474169810160 32.065 > 15 78 S 0.51471995024693 0.65353912669662 0.80474169810160 32.065 > 15 79 S 0.36028004975307 0.90353912669662 0.55474169810160 32.065 > 16 80 S 0.86028004975307 0.90353912669662 0.55474169810160 32.065 > 16 81 S 0.36028004975307 0.09646087330338 0.44525830189840 32.065 > 9 82 S 0.86028004975307 0.09646087330338 0.44525830189840 32.065 > 9 83 S 0.01471995024693 0.34646087330338 0.19525830189841 32.065 > 10 84 S 0.51471995024693 0.34646087330338 0.19525830189841 32.065 > 10 85 S 0.23528004975307 0.34646087330338 0.30474169810160 32.065 > 11 86 S 0.73528004975307 0.34646087330338 0.30474169810160 32.065 > 11 87 S 0.23528004975307 0.15353912669662 0.19525830189841 32.065 > 12 88 S 0.73528004975307 0.15353912669662 0.19525830189841 32.065 > 12 89 S 0.38971995024693 0.09646087330338 0.05474169810160 32.065 > 13 90 S 0.88971995024693 0.09646087330338 0.05474169810160 32.065 > 13 91 S 0.38971995024693 0.40353912669662 0.44525830189840 32.065 > 14 92 S 0.88971995024693 0.40353912669662 0.44525830189840 32.065 > 14 93 S 0.01471995024693 0.15353912669662 0.30474169810160 32.065 > 15 94 S 0.51471995024693 0.15353912669662 0.30474169810160 32.065 > 15 95 S 0.36028004975307 0.40353912669662 0.05474169810160 32.065 > 16 96 S 0.86028004975307 0.40353912669662 0.05474169810160 32.065 > 16 97 S 0.11028004975307 0.59646087330338 0.44525830189840 32.065 > 9 98 S 0.61028004975307 0.59646087330338 0.44525830189840 32.065 > 9 99 S 0.26471995024693 0.84646087330338 0.19525830189841 32.065 > 10 100 S 0.76471995024693 0.84646087330338 0.19525830189841 32.065 > 10 101 S 0.48528004975307 0.84646087330338 0.30474169810160 32.065 > 11 102 S 0.98528004975307 0.84646087330338 0.30474169810160 32.065 > 11 103 S 0.48528004975307 0.65353912669662 0.19525830189841 32.065 > 12 104 S 0.98528004975307 0.65353912669662 0.19525830189841 32.065 > 12 105 S 0.13971995024693 0.59646087330338 0.05474169810160 32.065 > 13 106 S 0.63971995024693 0.59646087330338 0.05474169810160 32.065 > 13 107 S 0.13971995024693 0.90353912669662 0.44525830189840 32.065 > 14 108 S 0.63971995024693 0.90353912669662 0.44525830189840 32.065 > 14 109 S 0.26471995024693 0.65353912669662 0.30474169810160 32.065 > 15 110 S 0.76471995024693 0.65353912669662 0.30474169810160 32.065 > 15 111 S 0.11028004975307 0.90353912669662 0.05474169810160 32.065 > 16 112 S 0.61028004975307 0.90353912669662 0.05474169810160 32.065 > 16 113 S 0.11028004975307 0.09646087330338 0.94525830189840 32.065 > 9 114 S 0.61028004975307 0.09646087330338 0.94525830189840 32.065 > 9 115 S 0.26471995024693 0.34646087330338 0.69525830189840 32.065 > 10 116 S 0.76471995024693 0.34646087330338 0.69525830189840 32.065 > 10 117 S 0.48528004975307 0.34646087330338 0.80474169810160 32.065 > 11 118 S 0.98528004975307 0.34646087330338 0.80474169810160 32.065 > 11 119 S 0.48528004975307 0.15353912669662 0.69525830189840 32.065 > 12 120 S 0.98528004975307 0.15353912669662 0.69525830189840 32.065 > 12 121 S 0.13971995024693 0.09646087330338 0.55474169810160 32.065 > 13 122 S 0.63971995024693 0.09646087330338 0.55474169810160 32.065 > 13 123 S 0.13971995024693 0.40353912669662 0.94525830189840 32.065 > 14 124 S 0.63971995024693 0.40353912669662 0.94525830189840 32.065 > 14 125 S 0.26471995024693 0.15353912669662 0.80474169810160 32.065 > 15 126 S 0.76471995024693 0.15353912669662 0.80474169810160 32.065 > 15 127 S 0.11028004975307 0.40353912669662 0.55474169810160 32.065 > 16 128 S 0.61028004975307 0.40353912669662 0.55474169810160 32.065 > 16----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.0736148 0.0000000 0.0000000 0.0000000 3.9733283 0.0000000 0.0000000 0.0000000 3.7473707-------------------------- Born effective charges -------------------------- 1 Cs 1.2336199 0.0035553 0.0000000 0.0760569 1.4590766 0.0000000 0.0000000 0.0000000 1.4249080 2 Cs 1.2336199 -0.0035553 0.0000000 -0.0760569 1.4590766 0.0000000 0.0000000 0.0000000 1.4249080 3 Cs 1.2336199 0.0035553 0.0000000 0.0760569 1.4590766 0.0000000 0.0000000 0.0000000 1.4249080 4 Cs 1.2336199 -0.0035553 0.0000000 -0.0760569 1.4590766 0.0000000 0.0000000 0.0000000 1.4249080 5 Nb 3.4184472 0.0000000 0.0000000 0.0000000 1.8228603 0.0000000 0.0000000 0.0000000 1.2899670 6 Nb 3.4184472 0.0000000 0.0000000 0.0000000 1.8228603 0.0000000 0.0000000 0.0000000 1.2899670 7 Ag 0.0750894 0.0000000 0.0000000 0.0000000 0.3917330 0.0000000 0.0000000 0.0000000 0.3875976 8 Ag 0.0750894 0.0000000 0.0000000 0.0000000 0.3917330 0.0000000 0.0000000 0.0000000 0.3875976 9 S -1.4901941 -0.8276865 0.6831809 -0.3783702 -1.2831866 0.6605212 0.2389825 0.5575721 -1.1318452 10 S -1.4901941 0.8276865 -0.6831809 0.3783702 -1.2831866 0.6605212 -0.2389825 0.5575721 -1.1318452 11 S -1.4901941 -0.8276865 -0.6831809 -0.3783702 -1.2831866 -0.6605212 -0.2389825 -0.5575721 -1.1318452 12 S -1.4901941 0.8276865 0.6831809 0.3783702 -1.2831866 -0.6605212 0.2389825 -0.5575721 -1.1318452 13 S -1.4901941 0.8276865 0.6831809 0.3783702 -1.2831866 -0.6605212 0.2389825 -0.5575721 -1.1318452 14 S -1.4901941 -0.8276865 -0.6831809 -0.3783702 -1.2831866 -0.6605212 -0.2389825 -0.5575721 -1.1318452 15 S -1.4901941 -0.8276865 0.6831809 -0.3783702 -1.2831866 0.6605212 0.2389825 0.5575721 -1.1318452 16 S -1.4901941 0.8276865 -0.6831809 0.3783702 -1.2831866 0.6605212 -0.2389825 0.5575721 -1.1318452----------------------------------------------------------------------------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: 1.764Solver_block: 200 / 240 - Time: 1.801Solver_block: 240 / 240 - Time: 0.782Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.377--------------------------------- 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 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 20:23:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 20:23:21]-------------------------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 7.032508235000000 12.151033255000000 b 2.929637210000000 0.000000000000000 12.151033255000000 c 2.929637210000000 7.032508235000000 0.000000000000000Atomic positions (fractional): 1 Cs 0.17935225195171 0.17935225195171 0.82064774804829 132.905 2 Cs 0.82064774804829 0.82064774804829 0.17935225195171 132.905 3 Cs 0.07064774804829 0.07064774804829 0.42935225195171 132.905 4 Cs 0.42935225195171 0.42935225195171 0.07064774804829 132.905 5 Nb 0.25000000000000 0.25000000000000 0.25000000000000 92.906 6 Nb 0.00000000000000 0.00000000000000 0.00000000000000 92.906 7 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 8 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868 9 S 0.82115907569564 0.06935752810117 0.37176267091111 32.065 10 S 0.51227927470792 0.87823732908889 0.18064247189883 32.065 11 S 0.18064247189883 0.42884092430436 0.51227927470792 32.065 12 S 0.87823732908889 0.51227927470792 0.42884092430436 32.065 13 S 0.37176267091111 0.73772072529208 0.82115907569564 32.065 14 S 0.06935752810117 0.82115907569564 0.73772072529208 32.065 15 S 0.42884092430436 0.18064247189883 0.87823732908889 32.065 16 S 0.73772072529208 0.37176267091111 0.06935752810117 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 11.718548840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.065016470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 24.302066510000000Atomic positions (fractional): 1 Cs 0.25000000000000 0.00000000000000 0.67935225195171 132.905 > 1 2 Cs 0.75000000000000 0.00000000000000 0.67935225195171 132.905 > 1 3 Cs 0.00000000000000 0.00000000000000 0.82064774804829 132.905 > 3 4 Cs 0.50000000000000 0.00000000000000 0.82064774804829 132.905 > 3 5 Cs 0.12500000000000 0.75000000000000 0.57064774804829 132.905 > 5 6 Cs 0.62500000000000 0.75000000000000 0.57064774804829 132.905 > 5 7 Cs 0.12500000000000 0.75000000000000 0.92935225195171 132.905 > 7 8 Cs 0.62500000000000 0.75000000000000 0.92935225195171 132.905 > 7 9 Cs 0.25000000000000 0.50000000000000 0.17935225195171 132.905 > 1 10 Cs 0.75000000000000 0.50000000000000 0.17935225195171 132.905 > 1 11 Cs 0.00000000000000 0.50000000000000 0.32064774804829 132.905 > 3 12 Cs 0.50000000000000 0.50000000000000 0.32064774804829 132.905 > 3 13 Cs 0.12500000000000 0.25000000000000 0.07064774804829 132.905 > 5 14 Cs 0.62500000000000 0.25000000000000 0.07064774804829 132.905 > 5 15 Cs 0.12500000000000 0.25000000000000 0.42935225195171 132.905 > 7 16 Cs 0.62500000000000 0.25000000000000 0.42935225195171 132.905 > 7 17 Cs 0.00000000000000 0.00000000000000 0.17935225195171 132.905 > 1 18 Cs 0.50000000000000 0.00000000000000 0.17935225195171 132.905 > 1 19 Cs 0.25000000000000 0.00000000000000 0.32064774804829 132.905 > 3 20 Cs 0.75000000000000 0.00000000000000 0.32064774804829 132.905 > 3 21 Cs 0.37500000000000 0.75000000000000 0.07064774804829 132.905 > 5 22 Cs 0.87500000000000 0.75000000000000 0.07064774804829 132.905 > 5 23 Cs 0.37500000000000 0.75000000000000 0.42935225195171 132.905 > 7 24 Cs 0.87500000000000 0.75000000000000 0.42935225195171 132.905 > 7 25 Cs 0.00000000000000 0.50000000000000 0.67935225195171 132.905 > 1 26 Cs 0.50000000000000 0.50000000000000 0.67935225195171 132.905 > 1 27 Cs 0.25000000000000 0.50000000000000 0.82064774804829 132.905 > 3 28 Cs 0.75000000000000 0.50000000000000 0.82064774804829 132.905 > 3 29 Cs 0.37500000000000 0.25000000000000 0.57064774804829 132.905 > 5 30 Cs 0.87500000000000 0.25000000000000 0.57064774804829 132.905 > 5 31 Cs 0.37500000000000 0.25000000000000 0.92935225195171 132.905 > 7 32 Cs 0.87500000000000 0.25000000000000 0.92935225195171 132.905 > 7 33 Nb 0.12500000000000 0.75000000000000 0.75000000000000 92.906 > 33 34 Nb 0.62500000000000 0.75000000000000 0.75000000000000 92.906 > 33 35 Nb 0.00000000000000 0.00000000000000 0.00000000000000 92.906 > 35 36 Nb 0.50000000000000 0.00000000000000 0.00000000000000 92.906 > 35 37 Nb 0.12500000000000 0.25000000000000 0.25000000000000 92.906 > 33 38 Nb 0.62500000000000 0.25000000000000 0.25000000000000 92.906 > 33 39 Nb 0.00000000000000 0.50000000000000 0.50000000000000 92.906 > 35 40 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 > 35 41 Nb 0.37500000000000 0.75000000000000 0.25000000000000 92.906 > 33 42 Nb 0.87500000000000 0.75000000000000 0.25000000000000 92.906 > 33 43 Nb 0.25000000000000 0.00000000000000 0.50000000000000 92.906 > 35 44 Nb 0.75000000000000 0.00000000000000 0.50000000000000 92.906 > 35 45 Nb 0.37500000000000 0.25000000000000 0.75000000000000 92.906 > 33 46 Nb 0.87500000000000 0.25000000000000 0.75000000000000 92.906 > 33 47 Nb 0.25000000000000 0.50000000000000 0.00000000000000 92.906 > 35 48 Nb 0.75000000000000 0.50000000000000 0.00000000000000 92.906 > 35 49 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 49 50 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 49 51 Ag 0.37500000000000 0.75000000000000 0.75000000000000 107.868 > 51 52 Ag 0.87500000000000 0.75000000000000 0.75000000000000 107.868 > 51 53 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 49 54 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 49 55 Ag 0.37500000000000 0.25000000000000 0.25000000000000 107.868 > 51 56 Ag 0.87500000000000 0.25000000000000 0.25000000000000 107.868 > 51 57 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 49 58 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 49 59 Ag 0.12500000000000 0.75000000000000 0.25000000000000 107.868 > 51 60 Ag 0.62500000000000 0.75000000000000 0.25000000000000 107.868 > 51 61 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 49 62 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 49 63 Ag 0.12500000000000 0.25000000000000 0.75000000000000 107.868 > 51 64 Ag 0.62500000000000 0.25000000000000 0.75000000000000 107.868 > 51 65 S 0.36028004975307 0.59646087330338 0.94525830189840 32.065 > 65 66 S 0.86028004975307 0.59646087330338 0.94525830189840 32.065 > 65 67 S 0.01471995024693 0.84646087330338 0.69525830189840 32.065 > 67 68 S 0.51471995024693 0.84646087330338 0.69525830189840 32.065 > 67 69 S 0.23528004975307 0.84646087330338 0.80474169810160 32.065 > 69 70 S 0.73528004975307 0.84646087330338 0.80474169810160 32.065 > 69 71 S 0.23528004975307 0.65353912669662 0.69525830189840 32.065 > 71 72 S 0.73528004975307 0.65353912669662 0.69525830189840 32.065 > 71 73 S 0.38971995024693 0.59646087330338 0.55474169810160 32.065 > 73 74 S 0.88971995024693 0.59646087330338 0.55474169810160 32.065 > 73 75 S 0.38971995024693 0.90353912669662 0.94525830189840 32.065 > 75 76 S 0.88971995024693 0.90353912669662 0.94525830189840 32.065 > 75 77 S 0.01471995024693 0.65353912669662 0.80474169810160 32.065 > 77 78 S 0.51471995024693 0.65353912669662 0.80474169810160 32.065 > 77 79 S 0.36028004975307 0.90353912669662 0.55474169810160 32.065 > 79 80 S 0.86028004975307 0.90353912669662 0.55474169810160 32.065 > 79 81 S 0.36028004975307 0.09646087330338 0.44525830189840 32.065 > 65 82 S 0.86028004975307 0.09646087330338 0.44525830189840 32.065 > 65 83 S 0.01471995024693 0.34646087330338 0.19525830189841 32.065 > 67 84 S 0.51471995024693 0.34646087330338 0.19525830189841 32.065 > 67 85 S 0.23528004975307 0.34646087330338 0.30474169810160 32.065 > 69 86 S 0.73528004975307 0.34646087330338 0.30474169810160 32.065 > 69 87 S 0.23528004975307 0.15353912669662 0.19525830189841 32.065 > 71 88 S 0.73528004975307 0.15353912669662 0.19525830189841 32.065 > 71 89 S 0.38971995024693 0.09646087330338 0.05474169810160 32.065 > 73 90 S 0.88971995024693 0.09646087330338 0.05474169810160 32.065 > 73 91 S 0.38971995024693 0.40353912669662 0.44525830189840 32.065 > 75 92 S 0.88971995024693 0.40353912669662 0.44525830189840 32.065 > 75 93 S 0.01471995024693 0.15353912669662 0.30474169810160 32.065 > 77 94 S 0.51471995024693 0.15353912669662 0.30474169810160 32.065 > 77 95 S 0.36028004975307 0.40353912669662 0.05474169810160 32.065 > 79 96 S 0.86028004975307 0.40353912669662 0.05474169810160 32.065 > 79 97 S 0.11028004975307 0.59646087330338 0.44525830189840 32.065 > 65 98 S 0.61028004975307 0.59646087330338 0.44525830189840 32.065 > 65 99 S 0.26471995024693 0.84646087330338 0.19525830189841 32.065 > 67 100 S 0.76471995024693 0.84646087330338 0.19525830189841 32.065 > 67 101 S 0.48528004975307 0.84646087330338 0.30474169810160 32.065 > 69 102 S 0.98528004975307 0.84646087330338 0.30474169810160 32.065 > 69 103 S 0.48528004975307 0.65353912669662 0.19525830189841 32.065 > 71 104 S 0.98528004975307 0.65353912669662 0.19525830189841 32.065 > 71 105 S 0.13971995024693 0.59646087330338 0.05474169810160 32.065 > 73 106 S 0.63971995024693 0.59646087330338 0.05474169810160 32.065 > 73 107 S 0.13971995024693 0.90353912669662 0.44525830189840 32.065 > 75 108 S 0.63971995024693 0.90353912669662 0.44525830189840 32.065 > 75 109 S 0.26471995024693 0.65353912669662 0.30474169810160 32.065 > 77 110 S 0.76471995024693 0.65353912669662 0.30474169810160 32.065 > 77 111 S 0.11028004975307 0.90353912669662 0.05474169810160 32.065 > 79 112 S 0.61028004975307 0.90353912669662 0.05474169810160 32.065 > 79 113 S 0.11028004975307 0.09646087330338 0.94525830189840 32.065 > 65 114 S 0.61028004975307 0.09646087330338 0.94525830189840 32.065 > 65 115 S 0.26471995024693 0.34646087330338 0.69525830189840 32.065 > 67 116 S 0.76471995024693 0.34646087330338 0.69525830189840 32.065 > 67 117 S 0.48528004975307 0.34646087330338 0.80474169810160 32.065 > 69 118 S 0.98528004975307 0.34646087330338 0.80474169810160 32.065 > 69 119 S 0.48528004975307 0.15353912669662 0.69525830189840 32.065 > 71 120 S 0.98528004975307 0.15353912669662 0.69525830189840 32.065 > 71 121 S 0.13971995024693 0.09646087330338 0.55474169810160 32.065 > 73 122 S 0.63971995024693 0.09646087330338 0.55474169810160 32.065 > 73 123 S 0.13971995024693 0.40353912669662 0.94525830189840 32.065 > 75 124 S 0.63971995024693 0.40353912669662 0.94525830189840 32.065 > 75 125 S 0.26471995024693 0.15353912669662 0.80474169810160 32.065 > 77 126 S 0.76471995024693 0.15353912669662 0.80474169810160 32.065 > 77 127 S 0.11028004975307 0.40353912669662 0.55474169810160 32.065 > 79 128 S 0.61028004975307 0.40353912669662 0.55474169810160 32.065 > 79----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.0736148 0.0000000 0.0000000 0.0000000 3.9733283 0.0000000 0.0000000 0.0000000 3.7473707-------------------------- Born effective charges -------------------------- 1 Cs 1.2336199 0.0035553 0.0000000 0.0760569 1.4590766 0.0000000 0.0000000 0.0000000 1.4249080 2 Cs 1.2336199 -0.0035553 0.0000000 -0.0760569 1.4590766 0.0000000 0.0000000 0.0000000 1.4249080 3 Cs 1.2336199 0.0035553 0.0000000 0.0760569 1.4590766 0.0000000 0.0000000 0.0000000 1.4249080 4 Cs 1.2336199 -0.0035553 0.0000000 -0.0760569 1.4590766 0.0000000 0.0000000 0.0000000 1.4249080 5 Nb 3.4184472 0.0000000 0.0000000 0.0000000 1.8228603 0.0000000 0.0000000 0.0000000 1.2899670 6 Nb 3.4184472 0.0000000 0.0000000 0.0000000 1.8228603 0.0000000 0.0000000 0.0000000 1.2899670 7 Ag 0.0750894 0.0000000 0.0000000 0.0000000 0.3917330 0.0000000 0.0000000 0.0000000 0.3875976 8 Ag 0.0750894 0.0000000 0.0000000 0.0000000 0.3917330 0.0000000 0.0000000 0.0000000 0.3875976 9 S -1.4901941 -0.8276865 0.6831809 -0.3783702 -1.2831866 0.6605212 0.2389825 0.5575721 -1.1318452 10 S -1.4901941 0.8276865 -0.6831809 0.3783702 -1.2831866 0.6605212 -0.2389825 0.5575721 -1.1318452 11 S -1.4901941 -0.8276865 -0.6831809 -0.3783702 -1.2831866 -0.6605212 -0.2389825 -0.5575721 -1.1318452 12 S -1.4901941 0.8276865 0.6831809 0.3783702 -1.2831866 -0.6605212 0.2389825 -0.5575721 -1.1318452 13 S -1.4901941 0.8276865 0.6831809 0.3783702 -1.2831866 -0.6605212 0.2389825 -0.5575721 -1.1318452 14 S -1.4901941 -0.8276865 -0.6831809 -0.3783702 -1.2831866 -0.6605212 -0.2389825 -0.5575721 -1.1318452 15 S -1.4901941 -0.8276865 0.6831809 -0.3783702 -1.2831866 0.6605212 0.2389825 0.5575721 -1.1318452 16 S -1.4901941 0.8276865 -0.6831809 0.3783702 -1.2831866 0.6605212 -0.2389825 0.5575721 -1.1318452----------------------------------------------------------------------------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[ 33, 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[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) 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 20:23:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 20:23:38]-------------------------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 7.032508235000000 12.151033255000000 b 2.929637210000000 0.000000000000000 12.151033255000000 c 2.929637210000000 7.032508235000000 0.000000000000000Atomic positions (fractional): 1 Cs 0.17935225195171 0.17935225195171 0.82064774804829 132.905 2 Cs 0.82064774804829 0.82064774804829 0.17935225195171 132.905 3 Cs 0.07064774804829 0.07064774804829 0.42935225195171 132.905 4 Cs 0.42935225195171 0.42935225195171 0.07064774804829 132.905 5 Nb 0.25000000000000 0.25000000000000 0.25000000000000 92.906 6 Nb 0.00000000000000 0.00000000000000 0.00000000000000 92.906 7 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 8 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868 9 S 0.82115907569564 0.06935752810117 0.37176267091111 32.065 10 S 0.51227927470792 0.87823732908889 0.18064247189883 32.065 11 S 0.18064247189883 0.42884092430436 0.51227927470792 32.065 12 S 0.87823732908889 0.51227927470792 0.42884092430436 32.065 13 S 0.37176267091111 0.73772072529208 0.82115907569564 32.065 14 S 0.06935752810117 0.82115907569564 0.73772072529208 32.065 15 S 0.42884092430436 0.18064247189883 0.87823732908889 32.065 16 S 0.73772072529208 0.37176267091111 0.06935752810117 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 11.718548840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.065016470000000 0.000000000000000 c 0.000000000000000 0.000000000000000 24.302066510000000Atomic positions (fractional): 1 Cs 0.25000000000000 0.00000000000000 0.67935225195171 132.905 > 1 2 Cs 0.75000000000000 0.00000000000000 0.67935225195171 132.905 > 1 3 Cs 0.00000000000000 0.00000000000000 0.82064774804829 132.905 > 3 4 Cs 0.50000000000000 0.00000000000000 0.82064774804829 132.905 > 3 5 Cs 0.12500000000000 0.75000000000000 0.57064774804829 132.905 > 5 6 Cs 0.62500000000000 0.75000000000000 0.57064774804829 132.905 > 5 7 Cs 0.12500000000000 0.75000000000000 0.92935225195171 132.905 > 7 8 Cs 0.62500000000000 0.75000000000000 0.92935225195171 132.905 > 7 9 Cs 0.25000000000000 0.50000000000000 0.17935225195171 132.905 > 1 10 Cs 0.75000000000000 0.50000000000000 0.17935225195171 132.905 > 1 11 Cs 0.00000000000000 0.50000000000000 0.32064774804829 132.905 > 3 12 Cs 0.50000000000000 0.50000000000000 0.32064774804829 132.905 > 3 13 Cs 0.12500000000000 0.25000000000000 0.07064774804829 132.905 > 5 14 Cs 0.62500000000000 0.25000000000000 0.07064774804829 132.905 > 5 15 Cs 0.12500000000000 0.25000000000000 0.42935225195171 132.905 > 7 16 Cs 0.62500000000000 0.25000000000000 0.42935225195171 132.905 > 7 17 Cs 0.00000000000000 0.00000000000000 0.17935225195171 132.905 > 1 18 Cs 0.50000000000000 0.00000000000000 0.17935225195171 132.905 > 1 19 Cs 0.25000000000000 0.00000000000000 0.32064774804829 132.905 > 3 20 Cs 0.75000000000000 0.00000000000000 0.32064774804829 132.905 > 3 21 Cs 0.37500000000000 0.75000000000000 0.07064774804829 132.905 > 5 22 Cs 0.87500000000000 0.75000000000000 0.07064774804829 132.905 > 5 23 Cs 0.37500000000000 0.75000000000000 0.42935225195171 132.905 > 7 24 Cs 0.87500000000000 0.75000000000000 0.42935225195171 132.905 > 7 25 Cs 0.00000000000000 0.50000000000000 0.67935225195171 132.905 > 1 26 Cs 0.50000000000000 0.50000000000000 0.67935225195171 132.905 > 1 27 Cs 0.25000000000000 0.50000000000000 0.82064774804829 132.905 > 3 28 Cs 0.75000000000000 0.50000000000000 0.82064774804829 132.905 > 3 29 Cs 0.37500000000000 0.25000000000000 0.57064774804829 132.905 > 5 30 Cs 0.87500000000000 0.25000000000000 0.57064774804829 132.905 > 5 31 Cs 0.37500000000000 0.25000000000000 0.92935225195171 132.905 > 7 32 Cs 0.87500000000000 0.25000000000000 0.92935225195171 132.905 > 7 33 Nb 0.12500000000000 0.75000000000000 0.75000000000000 92.906 > 33 34 Nb 0.62500000000000 0.75000000000000 0.75000000000000 92.906 > 33 35 Nb 0.00000000000000 0.00000000000000 0.00000000000000 92.906 > 35 36 Nb 0.50000000000000 0.00000000000000 0.00000000000000 92.906 > 35 37 Nb 0.12500000000000 0.25000000000000 0.25000000000000 92.906 > 33 38 Nb 0.62500000000000 0.25000000000000 0.25000000000000 92.906 > 33 39 Nb 0.00000000000000 0.50000000000000 0.50000000000000 92.906 > 35 40 Nb 0.50000000000000 0.50000000000000 0.50000000000000 92.906 > 35 41 Nb 0.37500000000000 0.75000000000000 0.25000000000000 92.906 > 33 42 Nb 0.87500000000000 0.75000000000000 0.25000000000000 92.906 > 33 43 Nb 0.25000000000000 0.00000000000000 0.50000000000000 92.906 > 35 44 Nb 0.75000000000000 0.00000000000000 0.50000000000000 92.906 > 35 45 Nb 0.37500000000000 0.25000000000000 0.75000000000000 92.906 > 33 46 Nb 0.87500000000000 0.25000000000000 0.75000000000000 92.906 > 33 47 Nb 0.25000000000000 0.50000000000000 0.00000000000000 92.906 > 35 48 Nb 0.75000000000000 0.50000000000000 0.00000000000000 92.906 > 35 49 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 49 50 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 49 51 Ag 0.37500000000000 0.75000000000000 0.75000000000000 107.868 > 51 52 Ag 0.87500000000000 0.75000000000000 0.75000000000000 107.868 > 51 53 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 49 54 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 49 55 Ag 0.37500000000000 0.25000000000000 0.25000000000000 107.868 > 51 56 Ag 0.87500000000000 0.25000000000000 0.25000000000000 107.868 > 51 57 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 49 58 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 49 59 Ag 0.12500000000000 0.75000000000000 0.25000000000000 107.868 > 51 60 Ag 0.62500000000000 0.75000000000000 0.25000000000000 107.868 > 51 61 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 49 62 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 49 63 Ag 0.12500000000000 0.25000000000000 0.75000000000000 107.868 > 51 64 Ag 0.62500000000000 0.25000000000000 0.75000000000000 107.868 > 51 65 S 0.36028004975307 0.59646087330338 0.94525830189840 32.065 > 65 66 S 0.86028004975307 0.59646087330338 0.94525830189840 32.065 > 65 67 S 0.01471995024693 0.84646087330338 0.69525830189840 32.065 > 67 68 S 0.51471995024693 0.84646087330338 0.69525830189840 32.065 > 67 69 S 0.23528004975307 0.84646087330338 0.80474169810160 32.065 > 69 70 S 0.73528004975307 0.84646087330338 0.80474169810160 32.065 > 69 71 S 0.23528004975307 0.65353912669662 0.69525830189840 32.065 > 71 72 S 0.73528004975307 0.65353912669662 0.69525830189840 32.065 > 71 73 S 0.38971995024693 0.59646087330338 0.55474169810160 32.065 > 73 74 S 0.88971995024693 0.59646087330338 0.55474169810160 32.065 > 73 75 S 0.38971995024693 0.90353912669662 0.94525830189840 32.065 > 75 76 S 0.88971995024693 0.90353912669662 0.94525830189840 32.065 > 75 77 S 0.01471995024693 0.65353912669662 0.80474169810160 32.065 > 77 78 S 0.51471995024693 0.65353912669662 0.80474169810160 32.065 > 77 79 S 0.36028004975307 0.90353912669662 0.55474169810160 32.065 > 79 80 S 0.86028004975307 0.90353912669662 0.55474169810160 32.065 > 79 81 S 0.36028004975307 0.09646087330338 0.44525830189840 32.065 > 65 82 S 0.86028004975307 0.09646087330338 0.44525830189840 32.065 > 65 83 S 0.01471995024693 0.34646087330338 0.19525830189841 32.065 > 67 84 S 0.51471995024693 0.34646087330338 0.19525830189841 32.065 > 67 85 S 0.23528004975307 0.34646087330338 0.30474169810160 32.065 > 69 86 S 0.73528004975307 0.34646087330338 0.30474169810160 32.065 > 69 87 S 0.23528004975307 0.15353912669662 0.19525830189841 32.065 > 71 88 S 0.73528004975307 0.15353912669662 0.19525830189841 32.065 > 71 89 S 0.38971995024693 0.09646087330338 0.05474169810160 32.065 > 73 90 S 0.88971995024693 0.09646087330338 0.05474169810160 32.065 > 73 91 S 0.38971995024693 0.40353912669662 0.44525830189840 32.065 > 75 92 S 0.88971995024693 0.40353912669662 0.44525830189840 32.065 > 75 93 S 0.01471995024693 0.15353912669662 0.30474169810160 32.065 > 77 94 S 0.51471995024693 0.15353912669662 0.30474169810160 32.065 > 77 95 S 0.36028004975307 0.40353912669662 0.05474169810160 32.065 > 79 96 S 0.86028004975307 0.40353912669662 0.05474169810160 32.065 > 79 97 S 0.11028004975307 0.59646087330338 0.44525830189840 32.065 > 65 98 S 0.61028004975307 0.59646087330338 0.44525830189840 32.065 > 65 99 S 0.26471995024693 0.84646087330338 0.19525830189841 32.065 > 67 100 S 0.76471995024693 0.84646087330338 0.19525830189841 32.065 > 67 101 S 0.48528004975307 0.84646087330338 0.30474169810160 32.065 > 69 102 S 0.98528004975307 0.84646087330338 0.30474169810160 32.065 > 69 103 S 0.48528004975307 0.65353912669662 0.19525830189841 32.065 > 71 104 S 0.98528004975307 0.65353912669662 0.19525830189841 32.065 > 71 105 S 0.13971995024693 0.59646087330338 0.05474169810160 32.065 > 73 106 S 0.63971995024693 0.59646087330338 0.05474169810160 32.065 > 73 107 S 0.13971995024693 0.90353912669662 0.44525830189840 32.065 > 75 108 S 0.63971995024693 0.90353912669662 0.44525830189840 32.065 > 75 109 S 0.26471995024693 0.65353912669662 0.30474169810160 32.065 > 77 110 S 0.76471995024693 0.65353912669662 0.30474169810160 32.065 > 77 111 S 0.11028004975307 0.90353912669662 0.05474169810160 32.065 > 79 112 S 0.61028004975307 0.90353912669662 0.05474169810160 32.065 > 79 113 S 0.11028004975307 0.09646087330338 0.94525830189840 32.065 > 65 114 S 0.61028004975307 0.09646087330338 0.94525830189840 32.065 > 65 115 S 0.26471995024693 0.34646087330338 0.69525830189840 32.065 > 67 116 S 0.76471995024693 0.34646087330338 0.69525830189840 32.065 > 67 117 S 0.48528004975307 0.34646087330338 0.80474169810160 32.065 > 69 118 S 0.98528004975307 0.34646087330338 0.80474169810160 32.065 > 69 119 S 0.48528004975307 0.15353912669662 0.69525830189840 32.065 > 71 120 S 0.98528004975307 0.15353912669662 0.69525830189840 32.065 > 71 121 S 0.13971995024693 0.09646087330338 0.55474169810160 32.065 > 73 122 S 0.63971995024693 0.09646087330338 0.55474169810160 32.065 > 73 123 S 0.13971995024693 0.40353912669662 0.94525830189840 32.065 > 75 124 S 0.63971995024693 0.40353912669662 0.94525830189840 32.065 > 75 125 S 0.26471995024693 0.15353912669662 0.80474169810160 32.065 > 77 126 S 0.76471995024693 0.15353912669662 0.80474169810160 32.065 > 77 127 S 0.11028004975307 0.40353912669662 0.55474169810160 32.065 > 79 128 S 0.61028004975307 0.40353912669662 0.55474169810160 32.065 > 79----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.0736148 0.0000000 0.0000000 0.0000000 3.9733283 0.0000000 0.0000000 0.0000000 3.7473707-------------------------- Born effective charges -------------------------- 1 Cs 1.2336199 0.0035553 0.0000000 0.0760569 1.4590766 0.0000000 0.0000000 0.0000000 1.4249080 2 Cs 1.2336199 -0.0035553 0.0000000 -0.0760569 1.4590766 0.0000000 0.0000000 0.0000000 1.4249080 3 Cs 1.2336199 0.0035553 0.0000000 0.0760569 1.4590766 0.0000000 0.0000000 0.0000000 1.4249080 4 Cs 1.2336199 -0.0035553 0.0000000 -0.0760569 1.4590766 0.0000000 0.0000000 0.0000000 1.4249080 5 Nb 3.4184472 0.0000000 0.0000000 0.0000000 1.8228603 0.0000000 0.0000000 0.0000000 1.2899670 6 Nb 3.4184472 0.0000000 0.0000000 0.0000000 1.8228603 0.0000000 0.0000000 0.0000000 1.2899670 7 Ag 0.0750894 0.0000000 0.0000000 0.0000000 0.3917330 0.0000000 0.0000000 0.0000000 0.3875976 8 Ag 0.0750894 0.0000000 0.0000000 0.0000000 0.3917330 0.0000000 0.0000000 0.0000000 0.3875976 9 S -1.4901941 -0.8276865 0.6831809 -0.3783702 -1.2831866 0.6605212 0.2389825 0.5575721 -1.1318452 10 S -1.4901941 0.8276865 -0.6831809 0.3783702 -1.2831866 0.6605212 -0.2389825 0.5575721 -1.1318452 11 S -1.4901941 -0.8276865 -0.6831809 -0.3783702 -1.2831866 -0.6605212 -0.2389825 -0.5575721 -1.1318452 12 S -1.4901941 0.8276865 0.6831809 0.3783702 -1.2831866 -0.6605212 0.2389825 -0.5575721 -1.1318452 13 S -1.4901941 0.8276865 0.6831809 0.3783702 -1.2831866 -0.6605212 0.2389825 -0.5575721 -1.1318452 14 S -1.4901941 -0.8276865 -0.6831809 -0.3783702 -1.2831866 -0.6605212 -0.2389825 -0.5575721 -1.1318452 15 S -1.4901941 -0.8276865 0.6831809 -0.3783702 -1.2831866 0.6605212 0.2389825 0.5575721 -1.1318452 16 S -1.4901941 0.8276865 -0.6831809 0.3783702 -1.2831866 0.6605212 -0.2389825 0.5575721 -1.1318452----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 9 9 9 ]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: 0.52, Number of G-points: 285, Lambda: 0.11Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/125) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.276 ( 0.000 0.000 0.000) 0.000 0.749 ( 0.000 0.000 0.000) 0.000 0.795 ( 0.000 0.000 0.000) 0.000 1.010 ( 0.000 0.000 0.000) 0.000 1.047 ( 0.000 0.000 -0.000) 0.000 1.099 ( 0.000 0.000 0.000) 0.000 1.336 ( 0.000 0.000 0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 1.779 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 1.972 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.184 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.423 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.635 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.767 ( 0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 5.890 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 -0.000) 0.000 7.449 ( 0.000 0.000 -0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 7.547 ( 0.000 0.000 0.000) 0.000 12.268 ( 0.000 0.000 -0.000) 0.000 12.272 ( 0.000 0.000 0.000) 0.000 12.458 ( 0.000 0.000 0.000) 0.000 12.587 ( 0.000 0.000 0.000) 0.000 12.658 ( 0.000 0.000 0.000) 0.000 12.753 ( 0.000 0.000 0.000) 0.000 12.797 ( 0.000 0.000 0.000) 0.000 13.080 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/125) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.220 ( -9.055 6.369 8.358) 13.871 0.366 ( -14.673 6.354 1.718) 16.082 0.436 ( -8.681 1.980 2.305) 9.198 0.732 ( -26.285 3.746 -2.283) 26.649 0.844 ( -9.255 2.582 0.630) 9.629 1.004 ( 0.436 0.506 -1.691) 1.818 1.044 ( 3.599 1.260 -2.890) 4.785 1.163 ( -26.556 1.273 1.379) 26.622 1.185 ( -9.742 -2.839 1.903) 10.324 1.331 ( 0.262 1.911 -1.072) 2.206 1.640 ( 2.573 -0.187 0.309) 2.598 1.676 ( -0.151 0.110 -0.213) 0.283 1.760 ( 1.003 -1.504 -0.735) 1.951 1.944 ( 2.576 1.313 -0.267) 2.904 1.954 ( 2.468 -2.703 -2.343) 4.346 2.041 ( 2.613 0.796 -1.789) 3.265 2.074 ( -6.555 -2.385 -1.595) 7.155 2.082 ( -7.825 -4.431 -2.015) 9.215 2.237 ( -5.038 0.222 0.303) 5.052 2.310 ( -4.268 0.058 -0.246) 4.275 2.362 ( 4.766 2.501 -1.306) 5.539 2.388 ( 2.568 0.662 0.840) 2.782 2.421 ( 3.106 0.022 7.648) 8.254 2.488 ( 5.711 7.341 2.820) 9.718 4.429 ( -1.044 -0.407 -0.123) 1.127 4.432 ( -0.953 0.210 -0.163) 0.989 4.564 ( -2.255 -0.094 0.191) 2.265 4.614 ( 2.088 -0.014 0.199) 2.097 4.648 ( -0.155 -0.207 -0.080) 0.271 4.729 ( 3.328 -0.620 -0.408) 3.409 4.822 ( 3.557 -0.216 -0.167) 3.568 4.845 ( 3.763 -1.254 -0.716) 4.031 5.904 ( -1.123 -0.172 0.779) 1.378 5.958 ( 0.352 0.790 -0.036) 0.866 6.046 ( -0.987 0.218 0.185) 1.028 6.068 ( -2.765 0.474 0.007) 2.806 7.339 ( 7.173 -0.094 0.009) 7.174 7.371 ( 5.188 -0.948 -0.492) 5.297 7.655 ( -6.944 0.003 -0.303) 6.951 7.661 ( -5.965 -0.039 -0.078) 5.965 12.260 ( 0.574 -0.075 -0.170) 0.603 12.262 ( 0.805 -0.110 -0.158) 0.828 12.625 ( -3.745 -0.167 -1.925) 4.214 12.650 ( -3.191 -3.566 1.390) 4.984 12.744 ( -0.631 -0.162 -2.832) 2.906 12.797 ( 0.427 1.327 -0.550) 1.498 13.025 ( 2.174 -5.206 0.257) 5.648 13.140 ( 0.494 3.088 -1.451) 3.448======================= Grid point 2 (3/125) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.496 ( -10.949 5.705 4.826) 13.256 0.606 ( -6.868 2.027 2.523) 7.593 0.640 ( -7.728 2.988 2.356) 8.614 0.921 ( -2.639 -0.494 -6.039) 6.609 0.970 ( -0.346 2.343 -2.930) 3.768 0.989 ( 0.581 2.315 -1.415) 2.775 1.086 ( -7.351 0.896 6.947) 10.153 1.284 ( -1.942 -2.265 -0.295) 2.998 1.482 ( -7.610 -0.347 0.102) 7.618 1.514 ( -1.650 -3.254 1.689) 4.021 1.657 ( -0.318 0.362 -1.407) 1.487 1.668 ( -3.057 3.727 -0.407) 4.837 1.736 ( 0.408 1.411 -1.313) 1.970 1.858 ( 4.090 -0.096 -2.161) 4.627 1.888 ( 2.303 -1.285 -0.221) 2.647 1.969 ( 3.942 2.176 -3.024) 5.424 2.259 ( 2.144 1.626 2.506) 3.677 2.275 ( -5.844 -2.789 0.975) 6.548 2.342 ( -16.493 0.621 -1.591) 16.581 2.351 ( -4.107 -0.584 -1.351) 4.363 2.376 ( -7.459 0.237 0.989) 7.528 2.420 ( 0.855 0.223 2.257) 2.424 2.433 ( -8.408 0.428 -0.051) 8.419 2.447 ( -9.948 -0.549 2.181) 10.199 4.452 ( -1.770 -0.426 -0.120) 1.825 4.459 ( -1.593 0.414 -0.213) 1.660 4.558 ( 3.334 -0.198 0.437) 3.369 4.612 ( -1.876 -0.245 0.090) 1.894 4.636 ( 5.616 -0.412 -0.170) 5.634 4.650 ( 0.104 -0.301 0.091) 0.331 4.710 ( 7.716 -0.617 -0.554) 7.760 4.715 ( 8.570 -0.390 -0.052) 8.579 5.939 ( -2.213 0.397 0.212) 2.258 5.972 ( -0.965 1.333 0.091) 1.648 6.070 ( -1.111 -0.028 0.456) 1.202 6.120 ( -2.587 -0.831 -0.196) 2.725 7.213 ( 5.797 -0.171 0.203) 5.803 7.261 ( 5.083 -1.013 -0.542) 5.211 7.771 ( -5.496 0.608 -0.109) 5.531 7.778 ( -5.412 0.460 0.149) 5.433 12.244 ( 0.906 0.101 -0.111) 0.919 12.249 ( 0.547 0.074 -0.059) 0.555 12.671 ( -2.289 -0.599 -0.458) 2.410 12.716 ( -3.327 -0.255 -0.143) 3.340 12.747 ( -1.110 -0.054 -0.456) 1.201 12.796 ( 0.579 1.944 -1.021) 2.271 12.944 ( 2.028 -4.928 0.929) 5.409 13.134 ( 1.418 1.659 -0.929) 2.372======================= Grid point 3 (4/125) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.675 ( -3.151 0.288 -1.043) 3.332 0.735 ( -1.925 1.124 2.910) 3.665 0.790 ( -8.718 4.203 0.596) 9.696 0.926 ( 0.475 0.022 -2.162) 2.213 0.976 ( -3.517 -0.234 0.146) 3.528 1.083 ( -5.251 4.097 -0.012) 6.660 1.236 ( -5.074 -0.380 3.608) 6.238 1.322 ( -3.087 -1.028 2.251) 3.956 1.422 ( 4.550 -1.974 1.085) 5.077 1.477 ( 3.930 -3.714 -0.528) 5.433 1.635 ( 4.251 -0.990 -1.904) 4.762 1.668 ( -0.317 -1.252 -0.690) 1.464 1.715 ( 4.813 2.029 -1.051) 5.328 1.808 ( 2.166 3.378 -0.897) 4.112 1.821 ( 3.563 1.975 0.311) 4.086 1.940 ( -0.133 1.489 -3.836) 4.117 2.191 ( 3.935 -0.286 1.789) 4.332 2.227 ( 4.542 -0.224 1.765) 4.878 2.311 ( 2.250 -1.380 -0.734) 2.739 2.350 ( 2.598 0.550 2.360) 3.553 2.547 ( -7.428 0.874 0.399) 7.490 2.569 ( -6.676 0.703 -0.014) 6.713 2.928 ( -32.969 0.192 0.297) 32.971 2.964 ( -32.139 -1.267 -0.472) 32.167 4.442 ( 14.357 -0.038 0.134) 14.358 4.457 ( 11.250 -0.646 0.107) 11.269 4.481 ( -0.952 -0.488 -0.076) 1.073 4.490 ( 4.377 0.185 -0.168) 4.384 4.510 ( 1.272 0.600 0.362) 1.452 4.584 ( 3.957 -0.610 -0.869) 4.097 4.648 ( -1.114 -0.530 -0.201) 1.250 4.666 ( -0.651 0.161 0.921) 1.140 5.991 ( -2.395 1.105 -0.316) 2.657 6.014 ( -1.750 1.985 0.485) 2.690 6.085 ( -0.378 -0.626 0.684) 1.001 6.143 ( -1.040 -1.761 -0.507) 2.107 7.123 ( 3.637 -0.128 0.393) 3.661 7.167 ( 3.551 -0.819 -0.529) 3.683 7.866 ( -3.564 0.461 0.084) 3.595 7.866 ( -3.623 0.621 0.084) 3.677 12.233 ( 0.443 0.428 0.126) 0.628 12.242 ( 0.347 0.213 0.045) 0.409 12.702 ( -0.968 0.479 0.148) 1.090 12.736 ( -0.786 -0.864 -0.007) 1.168 12.770 ( -0.066 0.063 -1.468) 1.471 12.817 ( -1.492 2.395 -0.886) 2.958 12.891 ( 0.550 -3.899 2.316) 4.568 13.111 ( 1.422 0.511 -0.575) 1.617======================= Grid point 4 (5/125) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.706 ( -0.852 0.636 0.408) 1.139 0.776 ( -0.838 -0.236 0.268) 0.911 0.863 ( 0.402 -0.405 -2.046) 2.124 0.938 ( -1.556 1.421 -1.122) 2.387 1.118 ( -8.447 -0.293 2.816) 8.909 1.202 ( -3.738 1.526 1.374) 4.265 1.288 ( 4.483 2.697 1.428) 5.423 1.324 ( -1.807 -2.951 -0.212) 3.466 1.377 ( 2.542 -1.017 0.065) 2.739 1.382 ( 1.605 -1.648 -0.034) 2.301 1.569 ( -0.236 -0.839 1.425) 1.670 1.629 ( 2.642 0.121 -0.534) 2.698 1.638 ( 2.758 0.600 -2.303) 3.643 1.745 ( 2.350 1.157 -0.435) 2.656 1.847 ( -0.226 2.677 0.375) 2.712 1.931 ( 0.244 -0.265 -1.680) 1.718 2.140 ( 1.446 -0.636 0.982) 1.860 2.155 ( 2.266 -0.469 0.003) 2.314 2.281 ( 0.360 -0.366 0.033) 0.514 2.329 ( 0.955 0.391 1.047) 1.470 2.658 ( -3.084 0.324 0.163) 3.106 2.667 ( -2.727 0.300 -0.009) 2.743 3.502 ( -24.747 0.069 0.142) 24.748 3.513 ( -23.808 -0.338 -0.183) 23.811 4.116 ( 17.984 -0.027 0.100) 17.984 4.133 ( 17.498 -0.228 -0.080) 17.500 4.444 ( 1.393 0.078 0.265) 1.420 4.479 ( 0.632 -0.534 -0.153) 0.841 4.525 ( -0.536 0.278 0.011) 0.604 4.545 ( 0.273 0.174 -0.257) 0.413 4.656 ( -0.290 -0.200 -0.057) 0.357 4.682 ( -0.389 0.030 0.392) 0.553 6.038 ( -1.539 1.238 -0.498) 2.037 6.065 ( -1.451 1.726 0.256) 2.269 6.080 ( 0.588 -0.811 0.952) 1.382 6.130 ( 0.314 -1.861 -0.587) 1.976 7.078 ( 1.231 -0.031 0.228) 1.252 7.114 ( 1.254 -0.321 -0.255) 1.320 7.912 ( -1.125 0.185 0.039) 1.140 7.921 ( -1.385 0.250 0.053) 1.408 12.233 ( -0.014 0.321 0.140) 0.350 12.238 ( 0.209 0.067 0.010) 0.220 12.714 ( -0.163 0.174 -0.025) 0.240 12.747 ( -0.086 0.495 1.258) 1.355 12.758 ( -0.095 -0.781 -1.764) 1.932 12.843 ( -0.056 1.218 -0.831) 1.476 12.882 ( -0.577 -1.626 1.596) 2.350 13.090 ( 0.605 0.050 -0.213) 0.643======================= Grid point 10 (6/125) =======================q-point: ( 0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.062 ( 0.000 -0.000 6.766) 6.766 0.083 ( 0.000 -0.000 8.930) 8.930 0.213 ( 0.000 -0.000 23.247) 23.247 0.297 ( 0.000 -0.000 4.290) 4.290 0.729 ( -0.000 0.000 -4.166) 4.166 0.784 ( -0.000 0.000 -2.139) 2.139 0.991 ( -0.000 0.000 -3.556) 3.556 1.062 ( 0.000 -0.000 2.604) 2.604 1.105 ( 0.000 -0.000 1.335) 1.335 1.319 ( -0.000 0.000 -3.754) 3.754 1.669 ( -0.000 0.000 -0.414) 0.414 1.763 ( -0.000 0.000 -1.154) 1.154 1.777 ( -0.000 0.000 -0.299) 0.299 1.845 ( 0.000 -0.000 0.860) 0.860 1.966 ( -0.000 0.000 -1.202) 1.202 1.980 ( -0.000 0.000 -5.743) 5.743 2.032 ( 0.000 -0.000 0.586) 0.586 2.068 ( -0.000 0.000 -0.302) 0.302 2.188 ( 0.000 -0.000 0.822) 0.822 2.265 ( -0.000 0.000 -0.420) 0.420 2.409 ( 0.000 -0.000 0.158) 0.158 2.425 ( -0.000 0.000 -0.036) 0.036 2.460 ( 0.000 -0.000 5.390) 5.390 2.845 ( -0.000 0.000 -1.922) 1.922 4.420 ( -0.000 0.000 -0.286) 0.286 4.421 ( -0.000 0.000 -0.293) 0.293 4.540 ( 0.000 -0.000 0.341) 0.341 4.638 ( 0.000 -0.000 0.805) 0.805 4.643 ( -0.000 0.000 -1.091) 1.091 4.762 ( -0.000 0.000 -0.930) 0.930 4.829 ( 0.000 -0.000 0.126) 0.126 4.854 ( -0.000 0.000 -0.240) 0.240 5.954 ( 0.000 -0.000 0.033) 0.033 5.964 ( -0.000 0.000 -0.102) 0.102 6.026 ( 0.000 -0.000 0.020) 0.020 6.034 ( -0.000 0.000 -0.096) 0.096 7.445 ( 0.000 -0.000 0.002) 0.002 7.448 ( -0.000 0.000 -0.051) 0.051 7.531 ( 0.000 -0.000 0.002) 0.002 7.546 ( -0.000 0.000 -0.198) 0.198 12.266 ( -0.000 0.000 -0.380) 0.380 12.270 ( -0.000 0.000 -0.438) 0.438 12.459 ( 0.000 -0.000 0.373) 0.373 12.576 ( -0.000 0.000 -2.058) 2.058 12.668 ( 0.000 -0.000 1.840) 1.840 12.794 ( -0.000 0.000 -0.719) 0.719 13.079 ( -0.000 0.000 -0.176) 0.176 13.085 ( -0.000 0.000 -0.256) 0.256======================= Grid point 11 (7/125) =======================q-point: ( 0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.327 ( -8.819 0.405 11.667) 14.630 0.404 ( -10.810 7.760 7.971) 15.512 0.475 ( -8.321 2.118 6.091) 10.527 0.698 ( -18.401 4.212 -4.505) 19.407 0.850 ( -16.536 2.377 0.314) 16.709 0.978 ( -0.412 0.473 -3.444) 3.501 1.003 ( -2.201 1.262 -5.389) 5.956 1.182 ( -19.121 -0.282 2.606) 19.299 1.206 ( -11.275 -0.770 1.877) 11.456 1.312 ( -1.880 2.833 -2.837) 4.428 1.643 ( 2.624 -1.750 0.194) 3.160 1.673 ( 0.611 0.172 -0.368) 0.733 1.749 ( 1.422 -1.210 -1.375) 2.319 1.910 ( 2.958 -1.628 -6.370) 7.210 1.944 ( 1.617 1.248 -0.224) 2.055 2.007 ( -4.329 -1.943 -4.516) 6.551 2.054 ( -3.402 -0.655 -1.301) 3.701 2.074 ( -4.843 -0.261 -0.498) 4.875 2.242 ( -4.928 0.333 0.910) 5.022 2.305 ( -4.037 0.231 -0.726) 4.108 2.371 ( 4.617 1.156 2.082) 5.195 2.391 ( 1.883 0.223 0.247) 1.912 2.479 ( 1.621 -0.757 4.681) 5.011 2.549 ( 11.501 3.520 8.511) 14.734 4.427 ( -1.075 -0.384 -0.315) 1.184 4.429 ( -1.039 0.081 -0.390) 1.113 4.567 ( -2.269 -0.086 0.604) 2.349 4.619 ( 2.130 -0.133 0.724) 2.254 4.646 ( -0.412 -0.189 -0.505) 0.679 4.722 ( 3.208 -0.587 -1.181) 3.469 4.819 ( 3.472 -0.455 -0.498) 3.537 4.835 ( 3.169 -0.397 -1.202) 3.413 5.915 ( -0.347 -0.647 1.380) 1.563 5.957 ( 0.308 0.804 -0.096) 0.866 6.049 ( -1.290 -0.104 0.370) 1.346 6.068 ( -2.628 0.575 0.024) 2.690 7.339 ( 7.086 -0.106 0.038) 7.087 7.364 ( 5.174 -0.622 -0.976) 5.302 7.650 ( -6.910 -0.265 -0.526) 6.935 7.659 ( -6.572 0.674 -0.192) 6.610 12.257 ( 0.546 -0.090 -0.430) 0.701 12.260 ( 0.687 -0.003 -0.401) 0.795 12.605 ( -4.173 -0.868 -2.266) 4.827 12.653 ( -5.466 -3.457 -1.834) 6.723 12.712 ( -1.656 2.450 -2.296) 3.744 12.790 ( 0.499 1.262 -1.022) 1.699 13.029 ( 2.286 -4.543 0.428) 5.104 13.121 ( -0.302 3.223 -2.305) 3.974======================= Grid point 12 (8/125) =======================q-point: ( 0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.549 ( -8.311 1.968 6.056) 10.470 0.641 ( -6.096 3.326 5.043) 8.582 0.672 ( -6.638 2.663 4.373) 8.383 0.861 ( -5.495 0.268 -6.308) 8.370 0.940 ( 0.351 1.299 -4.002) 4.222 0.974 ( -0.172 3.706 -1.805) 4.125 1.145 ( -7.763 0.228 5.740) 9.658 1.281 ( -3.075 -1.780 -0.455) 3.582 1.486 ( -5.184 -1.024 0.868) 5.355 1.533 ( -2.523 -2.569 2.260) 4.251 1.638 ( -1.860 0.221 -2.466) 3.097 1.664 ( -1.766 3.133 -0.521) 3.634 1.722 ( 0.654 2.150 -1.679) 2.805 1.822 ( 1.021 -0.298 -5.670) 5.769 1.889 ( 3.639 0.509 0.442) 3.701 1.942 ( 4.909 1.228 -2.424) 5.611 2.282 ( -4.314 0.958 2.036) 4.865 2.288 ( -1.618 -1.988 2.051) 3.283 2.326 ( -17.690 -0.191 -1.534) 17.758 2.342 ( -6.865 0.054 -0.829) 6.915 2.387 ( -7.578 0.195 1.322) 7.695 2.430 ( -2.341 -0.813 0.355) 2.504 2.435 ( -2.813 1.083 0.442) 3.046 2.477 ( -5.671 -0.857 3.763) 6.859 4.451 ( -1.828 -0.372 -0.169) 1.873 4.457 ( -1.698 0.285 -0.339) 1.755 4.564 ( 3.318 -0.259 0.861) 3.438 4.613 ( -0.339 -0.266 -0.065) 0.436 4.634 ( 3.451 -0.541 -0.220) 3.500 4.651 ( 0.387 -0.147 0.239) 0.478 4.704 ( 7.470 -0.650 -0.788) 7.539 4.713 ( 8.687 -0.215 -0.263) 8.694 5.942 ( -2.005 0.143 0.281) 2.029 5.974 ( -1.069 1.417 0.138) 1.780 6.076 ( -1.249 -0.229 0.786) 1.493 6.117 ( -2.392 -0.716 -0.383) 2.526 7.216 ( 5.675 -0.212 0.410) 5.694 7.254 ( 5.039 -0.867 -0.907) 5.193 7.770 ( -5.708 0.477 -0.089) 5.729 7.780 ( -5.300 0.674 0.147) 5.345 12.242 ( 0.706 0.056 -0.161) 0.726 12.248 ( 0.513 0.211 -0.099) 0.564 12.666 ( -3.039 -0.408 -0.472) 3.102 12.709 ( -2.871 -1.177 -1.325) 3.374 12.744 ( -1.702 0.635 0.024) 1.817 12.786 ( 0.553 1.878 -1.146) 2.268 12.955 ( 1.780 -4.369 1.311) 4.897 13.123 ( 1.075 1.848 -1.401) 2.556======================= Grid point 13 (9/125) =======================q-point: ( 0.44 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.669 ( -3.071 -0.536 -0.277) 3.130 0.756 ( -1.906 0.822 1.153) 2.374 0.798 ( -4.640 2.111 1.527) 5.322 0.908 ( -0.684 0.668 -1.766) 2.008 0.974 ( -6.599 0.184 -0.287) 6.608 1.086 ( -6.025 4.314 0.562) 7.431 1.273 ( -4.027 -1.435 4.208) 5.999 1.344 ( -3.001 -0.276 2.520) 3.928 1.435 ( 4.408 -1.894 1.615) 5.062 1.470 ( 4.098 -3.549 -0.935) 5.502 1.612 ( 3.140 -0.587 -3.135) 4.476 1.663 ( 0.482 -1.227 -0.234) 1.339 1.706 ( 4.750 2.367 -0.855) 5.376 1.796 ( 3.711 2.799 -1.710) 4.953 1.826 ( 1.754 2.151 0.720) 2.867 1.903 ( -0.680 1.906 -3.966) 4.453 2.212 ( 3.789 -1.791 2.517) 4.888 2.240 ( 5.138 -0.488 1.059) 5.269 2.304 ( 2.020 -1.540 -0.771) 2.655 2.373 ( 3.004 1.108 2.468) 4.043 2.552 ( -7.305 0.771 0.565) 7.367 2.569 ( -6.727 0.665 -0.138) 6.762 2.932 ( -32.891 0.054 0.504) 32.895 2.959 ( -32.253 -1.028 -0.707) 32.277 4.444 ( 14.188 -0.117 0.262) 14.191 4.457 ( 12.134 -0.585 -0.125) 12.148 4.480 ( -0.816 -0.476 -0.022) 0.945 4.487 ( 2.529 0.147 -0.325) 2.554 4.516 ( 2.117 0.415 0.985) 2.371 4.574 ( 3.791 -0.395 -1.326) 4.036 4.647 ( -1.114 -0.865 0.022) 1.411 4.674 ( -0.677 0.172 0.767) 1.038 5.988 ( -2.283 0.866 -0.227) 2.452 6.018 ( -1.841 2.050 0.388) 2.782 6.093 ( -0.469 -0.809 1.042) 1.401 6.137 ( -0.898 -1.587 -0.812) 1.997 7.128 ( 3.638 -0.253 0.603) 3.696 7.161 ( 3.451 -0.690 -0.757) 3.600 7.867 ( -3.796 0.470 0.093) 3.826 7.867 ( -3.434 0.501 0.097) 3.472 12.234 ( 0.313 0.293 0.153) 0.455 12.242 ( 0.338 0.252 0.043) 0.424 12.704 ( -1.079 0.032 0.271) 1.113 12.734 ( -1.564 -0.931 -0.591) 1.914 12.759 ( 0.235 -0.051 -0.637) 0.681 12.808 ( -1.046 2.533 -1.105) 2.955 12.912 ( 0.296 -3.555 2.285) 4.236 13.105 ( 1.182 0.564 -0.753) 1.511======================= Grid point 14 (10/125) =======================q-point: ( 0.56 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.705 ( -1.705 -1.592 -0.647) 2.421 0.781 ( -0.654 -0.263 0.649) 0.959 0.849 ( -0.802 -0.240 -0.868) 1.206 0.934 ( -1.343 2.752 0.024) 3.062 1.135 ( -8.134 -1.664 1.069) 8.371 1.206 ( -3.423 0.606 -0.156) 3.479 1.299 ( 7.300 1.785 0.351) 7.523 1.337 ( -2.568 -2.386 2.691) 4.419 1.371 ( 2.694 -1.069 -0.610) 2.962 1.384 ( 2.185 -0.994 0.254) 2.414 1.577 ( -0.308 -0.517 -0.631) 0.872 1.625 ( 2.123 0.151 -0.202) 2.138 1.630 ( 2.462 1.175 1.278) 3.012 1.732 ( 1.488 1.008 -2.388) 2.989 1.851 ( -0.310 1.339 0.581) 1.492 1.915 ( -0.661 1.323 -1.653) 2.218 2.139 ( 1.696 -2.740 -0.461) 3.255 2.167 ( 2.034 -0.905 1.957) 2.964 2.276 ( 0.212 -0.481 -0.908) 1.049 2.341 ( 2.094 0.960 1.283) 2.636 2.660 ( -2.967 0.188 0.192) 2.980 2.667 ( -2.799 0.208 -0.069) 2.808 3.504 ( -24.630 -0.018 0.193) 24.630 3.512 ( -23.968 -0.242 -0.229) 23.970 4.117 ( 18.016 -0.227 0.125) 18.018 4.132 ( 17.466 -0.064 -0.115) 17.466 4.447 ( 1.433 -0.420 0.315) 1.527 4.477 ( 0.696 -0.162 -0.203) 0.743 4.525 ( -0.517 0.222 0.031) 0.563 4.542 ( -0.051 0.212 -0.250) 0.332 4.656 ( -0.499 -0.636 -0.019) 0.809 4.686 ( -0.062 0.032 0.312) 0.320 6.034 ( -1.672 1.120 -0.273) 2.031 6.066 ( -1.074 1.104 -0.035) 1.541 6.090 ( 0.506 -0.729 1.256) 1.538 6.124 ( 0.190 -1.391 -0.839) 1.636 7.080 ( 1.352 -0.283 0.229) 1.401 7.112 ( 1.087 -0.104 -0.252) 1.121 7.912 ( -1.157 0.020 0.034) 1.158 7.921 ( -1.370 0.182 0.047) 1.382 12.234 ( -0.022 0.136 0.148) 0.202 12.238 ( 0.215 -0.039 -0.016) 0.219 12.715 ( -0.410 -0.515 0.210) 0.691 12.742 ( -0.407 -0.854 -1.406) 1.695 12.761 ( -0.089 0.683 1.546) 1.692 12.830 ( 0.024 2.569 -1.690) 3.075 12.898 ( -0.071 -2.817 1.608) 3.244 13.088 ( 0.354 -0.016 -0.248) 0.433======================= Grid point 15 (11/125) =======================q-point: (-0.33 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( -0.467 -2.262 -0.766) 2.434 0.775 ( 2.197 0.319 0.049) 2.221 0.880 ( -3.116 -0.524 1.310) 3.421 0.959 ( 2.320 0.860 3.408) 4.212 1.083 ( 9.153 -1.682 -4.614) 10.387 1.186 ( 3.440 -1.706 -1.514) 4.127 1.282 ( -3.601 -2.892 -0.090) 4.619 1.333 ( 2.492 2.808 1.586) 4.075 1.369 ( 0.802 2.100 -1.510) 2.708 1.382 ( -2.996 0.733 -0.116) 3.087 1.562 ( -1.271 1.180 -0.061) 1.736 1.630 ( -3.214 -0.126 -0.212) 3.224 1.663 ( -1.294 0.220 2.665) 2.971 1.741 ( -3.665 -1.656 -0.957) 4.134 1.845 ( -0.037 -3.406 -0.099) 3.407 1.943 ( -0.959 1.529 0.989) 2.058 2.128 ( -2.374 -1.243 -1.140) 2.912 2.162 ( -1.239 -0.241 0.990) 1.604 2.275 ( -0.924 0.098 -0.968) 1.342 2.324 ( 0.426 0.390 -0.175) 0.603 2.657 ( 3.162 -0.438 -0.092) 3.193 2.667 ( 2.689 -0.385 -0.018) 2.716 3.501 ( 24.821 -0.123 -0.073) 24.821 3.515 ( 23.698 0.399 0.100) 23.701 4.115 ( -17.964 -0.125 -0.047) 17.965 4.134 ( -17.516 0.348 0.029) 17.519 4.442 ( -1.371 -0.430 -0.134) 1.443 4.480 ( -0.580 0.779 0.068) 0.974 4.525 ( 0.523 -0.335 0.004) 0.621 4.547 ( -0.516 -0.133 0.154) 0.555 4.657 ( 0.016 -0.249 0.070) 0.259 4.679 ( 0.769 0.035 -0.289) 0.822 6.043 ( 1.410 -1.375 0.739) 2.104 6.060 ( 1.442 -1.917 -0.897) 2.561 6.074 ( -0.356 0.677 -0.220) 0.796 6.134 ( -0.374 2.158 0.298) 2.210 7.076 ( -1.150 -0.149 -0.135) 1.167 7.116 ( -1.376 0.471 0.153) 1.462 7.911 ( 1.096 -0.330 -0.026) 1.145 7.920 ( 1.398 -0.310 -0.034) 1.433 12.232 ( 0.014 -0.475 -0.084) 0.482 12.238 ( -0.211 -0.168 -0.014) 0.270 12.715 ( -0.043 -0.894 0.180) 0.913 12.737 ( -0.086 -0.191 -0.864) 0.889 12.775 ( -0.061 0.460 1.798) 1.857 12.841 ( 0.025 2.381 -1.161) 2.649 12.874 ( 1.154 -1.592 -0.071) 1.968 13.092 ( -0.816 -0.115 0.104) 0.830======================= Grid point 16 (12/125) =======================q-point: (-0.22 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.689 ( 3.075 -0.831 1.857) 3.687 0.709 ( 2.138 -1.126 -2.566) 3.525 0.785 ( 11.494 -5.821 -0.449) 12.892 0.946 ( -2.228 -0.294 1.967) 2.986 0.970 ( 2.295 1.166 -1.047) 2.779 1.085 ( 3.822 -3.659 0.275) 5.298 1.211 ( 7.087 -0.715 -1.546) 7.289 1.306 ( 2.776 1.857 -0.922) 3.465 1.415 ( -4.736 1.903 -0.364) 5.117 1.480 ( -3.876 3.806 0.149) 5.434 1.647 ( -4.500 1.352 0.692) 4.750 1.672 ( 0.761 0.967 0.275) 1.261 1.722 ( -4.953 -1.572 0.468) 5.218 1.813 ( -0.816 -4.048 0.250) 4.137 1.819 ( -5.102 -1.660 -0.041) 5.365 1.967 ( -0.458 -0.807 1.643) 1.887 2.181 ( -4.516 -1.957 -0.335) 4.933 2.212 ( -3.424 0.860 -1.269) 3.752 2.318 ( -3.157 0.967 0.711) 3.378 2.333 ( -1.709 0.191 -1.339) 2.180 2.545 ( 7.494 -0.941 -0.145) 7.555 2.569 ( 6.655 -0.726 -0.010) 6.694 2.926 ( 33.001 -0.258 -0.097) 33.002 2.967 ( 32.085 1.398 0.165) 32.116 4.441 ( -14.499 -0.014 -0.035) 14.499 4.456 ( -10.729 0.637 -0.089) 10.748 4.481 ( 1.183 0.490 0.049) 1.282 4.491 ( -5.123 -0.147 0.006) 5.125 4.509 ( -1.291 -0.702 -0.022) 1.470 4.590 ( -4.007 0.747 0.296) 4.087 4.651 ( 1.154 0.207 0.535) 1.288 4.658 ( 0.593 -0.073 -0.823) 1.017 5.993 ( 2.575 -1.323 0.202) 2.902 6.010 ( 1.578 -1.872 -0.276) 2.464 6.081 ( 0.347 0.523 -0.234) 0.670 6.146 ( 1.112 1.849 0.171) 2.165 7.121 ( -3.646 0.065 -0.135) 3.649 7.171 ( -3.608 0.884 0.189) 3.720 7.866 ( 3.394 -0.448 -0.034) 3.423 7.866 ( 3.766 -0.705 -0.032) 3.832 12.232 ( -0.522 -0.509 -0.048) 0.731 12.241 ( -0.357 -0.195 -0.019) 0.407 12.701 ( 0.916 -0.711 -0.047) 1.160 12.736 ( 0.271 0.838 -0.046) 0.882 12.782 ( 0.439 -0.524 0.853) 1.094 12.823 ( 1.718 -2.315 0.337) 2.903 12.874 ( -0.844 4.457 -1.119) 4.673 13.114 ( -1.582 -0.489 0.209) 1.669======================= Grid point 17 (13/125) =======================q-point: (-0.11 0.11 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.472 ( 12.086 -7.224 -0.000) 14.080 0.594 ( 7.089 -1.705 -0.000) 7.291 0.630 ( 8.139 -2.919 -0.000) 8.647 0.950 ( -2.112 0.022 0.000) 2.112 0.991 ( -1.285 -0.879 -0.000) 1.557 1.008 ( 3.219 -1.645 -0.000) 3.615 1.032 ( 8.770 -2.453 -0.000) 9.107 1.286 ( 1.527 2.401 0.000) 2.845 1.482 ( 9.648 -0.395 -0.000) 9.656 1.505 ( 0.164 4.003 0.000) 4.007 1.663 ( -1.177 -0.041 0.000) 1.178 1.670 ( 4.477 -4.371 -0.000) 6.256 1.743 ( -0.257 -1.045 -0.000) 1.076 1.866 ( -5.555 -1.106 -0.000) 5.664 1.890 ( -1.693 2.897 0.000) 3.356 1.985 ( -3.455 -2.271 -0.000) 4.134 2.246 ( -2.066 -1.881 -0.000) 2.794 2.270 ( 4.841 2.941 0.000) 5.664 2.349 ( 14.812 -0.785 -0.000) 14.833 2.364 ( -1.325 0.222 0.000) 1.343 2.371 ( 7.897 -0.340 -0.000) 7.905 2.402 ( 9.915 1.171 -0.000) 9.983 2.435 ( 7.572 -0.878 -0.000) 7.623 2.437 ( 7.817 -0.085 -0.000) 7.818 4.453 ( 1.748 0.443 0.000) 1.803 4.460 ( 1.551 -0.460 -0.000) 1.618 4.556 ( -3.358 0.178 0.000) 3.362 4.612 ( 2.270 0.226 -0.000) 2.281 4.637 ( -6.255 0.388 0.000) 6.267 4.650 ( 0.075 0.341 0.000) 0.349 4.714 ( -9.205 0.437 0.000) 9.216 4.714 ( -7.190 0.626 0.000) 7.217 5.938 ( 2.305 -0.508 -0.000) 2.361 5.972 ( 0.922 -1.296 -0.000) 1.590 6.068 ( 1.074 -0.042 -0.000) 1.075 6.121 ( 2.652 0.868 0.000) 2.790 7.212 ( -5.839 0.158 0.000) 5.841 7.263 ( -5.112 1.070 0.000) 5.223 7.772 ( 5.356 -0.712 -0.000) 5.403 7.778 ( 5.513 -0.322 -0.000) 5.523 12.244 ( -0.993 -0.127 0.000) 1.001 12.249 ( -0.553 -0.012 0.000) 0.553 12.673 ( 1.893 0.737 0.000) 2.032 12.716 ( 3.811 -0.248 -0.000) 3.819 12.749 ( 0.629 0.348 0.000) 0.719 12.801 ( -0.591 -1.978 -0.000) 2.065 12.940 ( -2.103 5.226 0.000) 5.633 13.139 ( -1.588 -1.575 -0.000) 2.237======================= Grid point 20 (14/125) =======================q-point: ( 0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.123 ( 0.000 -0.000 6.622) 6.622 0.161 ( 0.000 -0.000 8.013) 8.013 0.347 ( 0.000 -0.000 6.058) 6.058 0.425 ( 0.000 -0.000 23.155) 23.155 0.678 ( -0.000 0.000 -6.899) 6.899 0.763 ( -0.000 0.000 -2.087) 2.087 0.950 ( -0.000 0.000 -5.435) 5.435 1.088 ( 0.000 -0.000 2.817) 2.817 1.120 ( 0.000 -0.000 1.590) 1.590 1.265 ( -0.000 0.000 -8.381) 8.381 1.665 ( -0.000 0.000 -0.433) 0.433 1.745 ( -0.000 0.000 -2.680) 2.680 1.777 ( 0.000 -0.000 0.349) 0.349 1.856 ( 0.000 -0.000 1.551) 1.551 1.918 ( -0.000 0.000 -7.115) 7.115 1.951 ( -0.000 0.000 -1.869) 1.869 2.038 ( 0.000 -0.000 0.730) 0.730 2.064 ( -0.000 0.000 -0.465) 0.465 2.198 ( 0.000 -0.000 1.364) 1.364 2.260 ( -0.000 0.000 -0.801) 0.801 2.411 ( 0.000 -0.000 0.291) 0.291 2.424 ( -0.000 0.000 -0.104) 0.104 2.521 ( 0.000 -0.000 7.575) 7.575 2.819 ( -0.000 0.000 -3.696) 3.696 4.416 ( -0.000 0.000 -0.424) 0.424 4.418 ( -0.000 0.000 -0.457) 0.457 4.545 ( 0.000 -0.000 0.771) 0.771 4.629 ( -0.000 0.000 -1.912) 1.912 4.649 ( 0.000 -0.000 1.524) 1.524 4.750 ( -0.000 0.000 -1.723) 1.723 4.830 ( 0.000 -0.000 0.243) 0.243 4.851 ( -0.000 0.000 -0.426) 0.426 5.954 ( 0.000 -0.000 0.074) 0.074 5.962 ( -0.000 0.000 -0.180) 0.180 6.026 ( 0.000 -0.000 0.050) 0.050 6.033 ( -0.000 0.000 -0.167) 0.167 7.445 ( 0.000 -0.000 0.012) 0.012 7.448 ( -0.000 0.000 -0.087) 0.087 7.531 ( 0.000 -0.000 0.039) 0.039 7.543 ( -0.000 0.000 -0.340) 0.340 12.261 ( -0.000 0.000 -0.573) 0.573 12.265 ( -0.000 0.000 -0.681) 0.681 12.465 ( 0.000 -0.000 0.794) 0.794 12.554 ( -0.000 0.000 -2.663) 2.663 12.687 ( 0.000 -0.000 2.351) 2.351 12.784 ( -0.000 0.000 -1.345) 1.345 13.077 ( -0.000 0.000 -0.256) 0.256 13.082 ( -0.000 0.000 -0.406) 0.406======================= Grid point 21 (15/125) =======================q-point: ( 0.33 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.402 ( -12.237 0.694 6.217) 13.744 0.515 ( -6.349 3.086 13.047) 14.835 0.543 ( -7.560 2.569 8.575) 11.717 0.657 ( -10.972 4.943 -3.835) 12.630 0.845 ( -16.976 2.269 -1.827) 17.224 0.947 ( -4.843 0.446 -4.555) 6.664 0.956 ( -5.065 1.438 -2.782) 5.955 1.201 ( -15.498 2.808 -1.770) 15.849 1.208 ( -9.519 -3.650 0.745) 10.222 1.288 ( -7.971 4.696 -1.739) 9.413 1.641 ( 1.979 -3.204 -0.617) 3.817 1.670 ( 1.662 0.019 -0.317) 1.692 1.739 ( 2.268 -0.716 -0.519) 2.434 1.848 ( 3.167 -0.950 -6.716) 7.486 1.942 ( 0.677 1.103 -0.158) 1.304 1.973 ( -5.335 -0.882 -2.864) 6.119 2.048 ( -1.903 -0.783 -0.266) 2.075 2.070 ( -4.182 0.154 -0.375) 4.201 2.252 ( -4.714 0.336 1.256) 4.890 2.297 ( -3.991 0.258 -0.946) 4.110 2.386 ( 3.668 0.815 1.080) 3.909 2.394 ( 2.011 0.637 0.410) 2.149 2.523 ( 3.018 -0.628 5.172) 6.021 2.609 ( 11.181 0.012 4.191) 11.941 4.423 ( -1.126 -0.350 -0.364) 1.234 4.426 ( -1.131 -0.069 -0.413) 1.206 4.575 ( -2.256 -0.079 1.068) 2.497 4.626 ( 1.594 -0.375 0.435) 1.694 4.640 ( -0.310 -0.036 -0.249) 0.399 4.708 ( 3.000 -0.531 -1.810) 3.544 4.813 ( 3.302 -0.705 -0.626) 3.433 4.826 ( 3.119 0.426 -0.736) 3.233 5.926 ( 0.075 -1.003 1.018) 1.430 5.956 ( 0.242 0.851 -0.126) 0.893 6.052 ( -1.816 -0.493 0.287) 1.904 6.068 ( -2.434 0.711 0.034) 2.536 7.339 ( 6.909 -0.139 0.090) 6.911 7.356 ( 5.468 -0.294 -0.853) 5.542 7.646 ( -7.023 -0.212 -0.354) 7.035 7.657 ( -6.891 1.020 -0.228) 6.970 12.253 ( 0.487 -0.095 -0.487) 0.696 12.256 ( 0.521 0.141 -0.459) 0.709 12.585 ( -5.048 -1.085 -1.920) 5.509 12.620 ( -7.127 -0.481 -3.975) 8.174 12.713 ( -0.808 1.447 1.505) 2.238 12.778 ( 0.373 1.115 -1.406) 1.833 13.032 ( 2.205 -3.888 0.325) 4.481 13.103 ( -0.332 2.963 -1.656) 3.411======================= Grid point 22 (16/125) =======================q-point: ( 0.44 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( -5.702 -0.792 4.924) 7.575 0.687 ( -4.136 3.099 3.646) 6.325 0.720 ( -5.548 1.757 6.158) 8.473 0.815 ( -6.624 1.277 -3.034) 7.397 0.896 ( -0.624 0.963 -5.387) 5.507 0.955 ( -1.923 5.016 -2.315) 5.850 1.188 ( -8.507 -0.532 3.680) 9.284 1.277 ( -4.683 -0.716 -0.342) 4.750 1.498 ( -3.399 -1.324 1.745) 4.044 1.549 ( -2.010 -2.199 0.898) 3.112 1.619 ( -2.655 -0.268 -0.960) 2.836 1.659 ( -1.235 2.938 -0.418) 3.214 1.705 ( -0.179 2.031 -2.403) 3.151 1.766 ( 0.068 1.556 -5.687) 5.897 1.895 ( 4.227 0.738 0.789) 4.363 1.925 ( 5.157 0.402 -1.503) 5.387 2.296 ( -11.683 -0.598 1.237) 11.764 2.306 ( 1.991 0.084 1.328) 2.395 2.316 ( -18.847 -0.502 -0.497) 18.860 2.335 ( -6.083 0.357 -0.763) 6.141 2.399 ( -7.645 0.438 1.163) 7.746 2.432 ( -7.260 -0.531 0.078) 7.279 2.440 ( 2.415 -1.116 0.557) 2.718 2.507 ( -1.531 -0.333 2.680) 3.104 4.450 ( -1.894 -0.274 -0.120) 1.918 4.453 ( -1.813 0.103 -0.324) 1.845 4.574 ( 3.392 -0.373 1.144) 3.599 4.610 ( 2.104 -0.202 -0.577) 2.191 4.633 ( 0.440 -0.803 -0.024) 0.916 4.654 ( 0.070 0.115 0.358) 0.383 4.696 ( 7.687 -0.683 -0.803) 7.759 4.710 ( 8.737 -0.036 -0.303) 8.742 5.944 ( -1.806 -0.101 0.210) 1.821 5.975 ( -1.181 1.491 0.119) 1.906 6.084 ( -1.536 -0.549 0.872) 1.849 6.113 ( -2.057 -0.496 -0.514) 2.178 7.220 ( 5.488 -0.284 0.619) 5.530 7.245 ( 5.066 -0.684 -1.035) 5.216 7.769 ( -5.862 0.394 -0.040) 5.875 7.781 ( -5.262 0.844 0.088) 5.330 12.241 ( 0.497 0.026 -0.135) 0.515 12.247 ( 0.456 0.345 -0.093) 0.579 12.663 ( -3.735 -0.396 -0.085) 3.757 12.694 ( -3.298 -1.161 -1.904) 3.981 12.747 ( -1.176 0.652 0.482) 1.429 12.776 ( 0.273 1.853 -0.868) 2.064 12.966 ( 1.417 -3.951 1.138) 4.349 13.111 ( 0.824 2.044 -1.252) 2.535======================= Grid point 23 (17/125) =======================q-point: ( 0.56 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.669 ( -2.777 -1.398 0.146) 3.113 0.754 ( -1.982 0.117 -0.911) 2.184 0.822 ( -1.916 1.278 3.340) 4.057 0.890 ( -1.182 1.223 -2.431) 2.967 0.973 ( -8.888 0.210 0.031) 8.890 1.091 ( -6.282 4.330 0.525) 7.647 1.307 ( -4.294 -2.079 2.999) 5.635 1.365 ( -2.773 -0.193 1.901) 3.368 1.450 ( 5.055 -1.576 1.470) 5.495 1.462 ( 4.352 -3.172 -0.788) 5.443 1.581 ( 1.792 -0.494 -3.301) 3.788 1.665 ( 0.459 -0.871 0.603) 1.155 1.700 ( 4.733 2.515 -0.365) 5.372 1.779 ( 4.974 2.544 -1.896) 5.900 1.834 ( 0.094 2.234 1.068) 2.478 1.872 ( -0.337 1.867 -2.743) 3.335 2.233 ( 3.870 -2.454 2.020) 5.008 2.247 ( 5.184 -1.128 0.334) 5.316 2.297 ( 2.077 -1.418 -0.711) 2.613 2.392 ( 3.247 1.360 1.535) 3.840 2.557 ( -7.144 0.676 0.613) 7.202 2.566 ( -6.824 0.632 -0.341) 6.861 2.937 ( -32.747 -0.166 0.692) 32.755 2.952 ( -32.432 -0.718 -0.827) 32.451 4.447 ( 13.992 -0.229 0.362) 13.999 4.455 ( 13.036 -0.409 -0.345) 13.047 4.480 ( -0.758 -0.450 0.016) 0.881 4.485 ( 0.782 0.004 -0.230) 0.815 4.527 ( 3.209 0.162 1.378) 3.496 4.561 ( 3.417 -0.128 -1.520) 3.742 4.648 ( -1.103 -1.102 0.064) 1.561 4.680 ( -0.727 0.150 0.431) 0.858 5.987 ( -2.230 0.696 -0.109) 2.339 6.021 ( -1.867 2.058 0.198) 2.786 6.104 ( -0.661 -1.076 1.167) 1.719 6.129 ( -0.672 -1.320 -1.003) 1.788 7.134 ( 3.698 -0.449 0.675) 3.785 7.154 ( 3.305 -0.491 -0.774) 3.429 7.868 ( -3.934 0.456 0.060) 3.961 7.868 ( -3.334 0.418 0.063) 3.361 12.235 ( 0.187 0.155 0.108) 0.266 12.242 ( 0.344 0.304 0.021) 0.459 12.707 ( -1.252 -0.615 0.374) 1.444 12.726 ( -1.618 -0.676 -0.879) 1.961 12.758 ( -0.357 -0.113 0.148) 0.402 12.798 ( -0.418 2.721 -0.843) 2.879 12.930 ( 0.144 -3.452 1.428) 3.739 13.098 ( 0.973 0.642 -0.570) 1.298======================= Grid point 24 (18/125) =======================q-point: ( 0.67 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.699 ( -1.803 -2.934 -0.469) 3.475 0.785 ( -1.767 -0.583 0.272) 1.881 0.846 ( -0.185 0.133 -0.026) 0.229 0.935 ( -1.931 3.635 0.137) 4.119 1.140 ( -8.051 -2.779 0.174) 8.519 1.204 ( -2.550 0.389 -0.213) 2.588 1.298 ( 8.181 0.426 -0.115) 8.192 1.351 ( -0.916 -3.077 0.229) 3.219 1.377 ( 1.529 0.483 1.551) 2.231 1.385 ( 2.035 -0.465 -0.178) 2.095 1.565 ( 0.310 -0.335 -1.094) 1.185 1.620 ( 2.777 0.740 -0.371) 2.898 1.660 ( 0.654 0.902 4.015) 4.167 1.703 ( 0.989 0.911 -3.626) 3.868 1.856 ( -0.185 -0.126 0.326) 0.395 1.903 ( -1.349 2.809 -0.729) 3.200 2.136 ( 2.133 -3.396 -0.176) 4.014 2.182 ( 1.438 -1.933 0.986) 2.603 2.268 ( 0.525 -0.182 -0.589) 0.809 2.349 ( 2.559 1.119 0.527) 2.842 2.661 ( -2.830 0.083 0.114) 2.834 2.666 ( -2.908 0.162 -0.069) 2.913 3.505 ( -24.501 -0.140 0.154) 24.502 3.510 ( -24.125 -0.115 -0.168) 24.126 4.118 ( 18.049 -0.393 0.064) 18.053 4.132 ( 17.430 0.079 -0.061) 17.430 4.449 ( 1.475 -0.859 0.156) 1.714 4.475 ( 0.735 0.193 -0.108) 0.768 4.525 ( -0.472 0.189 0.019) 0.509 4.540 ( -0.303 0.231 -0.107) 0.396 4.656 ( -0.604 -0.894 -0.002) 1.079 4.688 ( 0.117 0.010 0.117) 0.166 6.032 ( -1.755 1.051 -0.085) 2.048 6.066 ( -0.896 0.836 -0.032) 1.226 6.101 ( 0.774 -1.244 0.997) 1.772 6.116 ( -0.147 -0.662 -0.837) 1.077 7.081 ( 1.459 -0.491 0.101) 1.543 7.110 ( 0.951 0.081 -0.110) 0.960 7.912 ( -1.178 -0.086 0.013) 1.181 7.922 ( -1.360 0.137 0.019) 1.367 12.236 ( -0.060 -0.001 0.082) 0.102 12.238 ( 0.253 -0.091 -0.030) 0.270 12.718 ( -0.692 -1.223 0.272) 1.432 12.732 ( -0.270 -0.469 -0.689) 0.876 12.774 ( -0.524 0.368 1.015) 1.200 12.816 ( 0.407 3.209 -1.104) 3.418 12.909 ( 0.153 -3.097 0.629) 3.164 13.086 ( 0.181 -0.051 -0.116) 0.221======================= Grid point 25 (19/125) =======================q-point: (-0.22 0.22 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.696 ( -1.001 -2.766 -0.000) 2.942 0.776 ( 2.788 0.321 -0.000) 2.806 0.885 ( -4.087 -1.112 -0.000) 4.236 0.984 ( 0.703 3.632 0.000) 3.699 1.052 ( 11.079 -4.311 -0.000) 11.888 1.179 ( 3.472 -1.515 -0.000) 3.788 1.282 ( -3.842 -3.282 -0.000) 5.053 1.350 ( 2.918 1.743 0.000) 3.399 1.352 ( 2.659 3.699 0.000) 4.555 1.382 ( -3.625 0.362 0.000) 3.643 1.563 ( -1.863 1.353 0.000) 2.302 1.628 ( -3.488 -0.129 0.000) 3.490 1.677 ( 0.052 0.873 0.000) 0.875 1.735 ( -4.931 -2.262 -0.000) 5.425 1.844 ( -0.183 -3.609 -0.000) 3.614 1.948 ( -1.215 2.040 0.000) 2.374 2.122 ( -2.624 -1.775 -0.000) 3.168 2.167 ( -0.955 -0.932 -0.000) 1.335 2.269 ( -1.066 0.182 0.000) 1.081 2.323 ( 0.892 0.641 0.000) 1.099 2.657 ( 3.189 -0.483 -0.000) 3.226 2.667 ( 2.677 -0.419 -0.000) 2.709 3.501 ( 24.845 -0.142 -0.000) 24.845 3.515 ( 23.659 0.421 -0.000) 23.663 4.115 ( -17.958 -0.183 0.000) 17.958 4.134 ( -17.521 0.392 0.000) 17.525 4.442 ( -1.365 -0.557 -0.000) 1.475 4.480 ( -0.561 0.865 0.000) 1.031 4.525 ( 0.513 -0.358 -0.000) 0.625 4.547 ( -0.604 -0.115 -0.000) 0.615 4.657 ( -0.136 -0.457 -0.000) 0.477 4.678 ( 0.963 0.090 -0.000) 0.967 6.050 ( 1.488 -1.264 -0.000) 1.952 6.052 ( 1.160 -1.926 -0.000) 2.249 6.074 ( -0.119 0.405 0.000) 0.422 6.136 ( -0.393 2.261 0.000) 2.295 7.075 ( -1.122 -0.214 -0.000) 1.142 7.117 ( -1.419 0.523 0.000) 1.513 7.911 ( 1.084 -0.387 -0.000) 1.151 7.920 ( 1.404 -0.333 -0.000) 1.443 12.232 ( 0.014 -0.535 -0.000) 0.535 12.238 ( -0.212 -0.209 -0.000) 0.298 12.716 ( -0.147 -1.377 -0.000) 1.385 12.732 ( -0.086 0.172 0.000) 0.192 12.785 ( -0.308 -0.155 -0.000) 0.345 12.833 ( 0.303 3.954 0.000) 3.966 12.875 ( 1.231 -2.569 -0.000) 2.849 13.092 ( -0.898 -0.143 -0.000) 0.909======================= Grid point 30 (20/125) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.182 ( 0.000 -0.000 5.996) 5.996 0.224 ( 0.000 -0.000 5.252) 5.252 0.403 ( 0.000 -0.000 6.076) 6.076 0.608 ( -0.000 0.000 -8.180) 8.180 0.635 ( 0.000 -0.000 22.622) 22.622 0.755 ( 0.000 -0.000 0.763) 0.763 0.894 ( -0.000 0.000 -6.644) 6.644 1.111 ( 0.000 -0.000 2.276) 2.276 1.132 ( 0.000 -0.000 0.906) 0.906 1.164 ( -0.000 0.000 -13.673) 13.673 1.663 ( 0.000 -0.000 0.266) 0.266 1.718 ( -0.000 0.000 -3.129) 3.129 1.783 ( 0.000 -0.000 0.943) 0.943 1.859 ( -0.000 0.000 -5.516) 5.516 1.872 ( 0.000 -0.000 1.996) 1.996 1.933 ( -0.000 0.000 -2.167) 2.167 2.045 ( 0.000 -0.000 0.660) 0.660 2.060 ( -0.000 0.000 -0.509) 0.509 2.212 ( 0.000 -0.000 1.575) 1.575 2.251 ( -0.000 0.000 -1.123) 1.123 2.414 ( 0.000 -0.000 0.372) 0.372 2.423 ( -0.000 0.000 -0.208) 0.208 2.592 ( 0.000 -0.000 7.826) 7.826 2.778 ( -0.000 0.000 -5.211) 5.211 4.412 ( -0.000 0.000 -0.350) 0.350 4.414 ( -0.000 0.000 -0.419) 0.419 4.555 ( 0.000 -0.000 1.304) 1.304 4.609 ( -0.000 0.000 -2.302) 2.302 4.666 ( 0.000 -0.000 2.088) 2.088 4.732 ( -0.000 0.000 -2.268) 2.268 4.833 ( 0.000 -0.000 0.355) 0.355 4.846 ( -0.000 0.000 -0.524) 0.524 5.955 ( 0.000 -0.000 0.126) 0.126 5.961 ( -0.000 0.000 -0.219) 0.219 6.027 ( 0.000 -0.000 0.095) 0.095 6.031 ( -0.000 0.000 -0.198) 0.198 7.445 ( 0.000 -0.000 0.034) 0.034 7.447 ( -0.000 0.000 -0.099) 0.099 7.532 ( 0.000 -0.000 0.124) 0.124 7.540 ( -0.000 0.000 -0.388) 0.388 12.256 ( -0.000 0.000 -0.478) 0.478 12.258 ( -0.000 0.000 -0.625) 0.625 12.474 ( 0.000 -0.000 1.278) 1.278 12.529 ( -0.000 0.000 -2.618) 2.618 12.709 ( 0.000 -0.000 2.401) 2.401 12.769 ( -0.000 0.000 -1.819) 1.819 13.075 ( -0.000 0.000 -0.190) 0.190 13.078 ( -0.000 0.000 -0.392) 0.392======================= Grid point 31 (21/125) =======================q-point: ( 0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.457 ( -11.924 1.266 5.857) 13.345 0.571 ( -10.849 2.001 -2.581) 11.330 0.617 ( -9.138 1.720 7.882) 12.189 0.674 ( -4.219 3.687 7.203) 9.126 0.819 ( -6.399 1.872 -2.707) 7.196 0.895 ( -3.831 1.601 -5.906) 7.220 0.964 ( -13.815 0.217 3.687) 14.300 1.145 ( -10.002 3.285 -8.316) 13.416 1.223 ( -14.119 -1.584 1.245) 14.262 1.283 ( -12.625 4.993 0.167) 13.577 1.634 ( 1.832 -3.775 -0.638) 4.245 1.666 ( 1.636 -0.239 -0.437) 1.710 1.742 ( 3.227 -0.475 1.095) 3.441 1.794 ( 3.513 -0.648 -4.834) 6.011 1.941 ( -0.744 0.794 0.028) 1.089 1.954 ( -3.787 -0.043 -1.379) 4.031 2.047 ( -2.247 -1.304 0.030) 2.598 2.067 ( -3.555 0.510 -0.261) 3.601 2.264 ( -4.437 0.278 1.322) 4.638 2.288 ( -4.132 0.313 -1.106) 4.289 2.392 ( 2.928 0.555 0.313) 2.997 2.397 ( 2.173 1.071 0.291) 2.440 2.570 ( 4.901 -1.154 4.735) 6.912 2.626 ( 8.802 -0.861 -0.144) 8.845 4.421 ( -1.173 -0.334 -0.239) 1.243 4.422 ( -1.191 -0.156 -0.258) 1.229 4.587 ( -2.142 -0.106 1.507) 2.622 4.618 ( -1.053 -0.247 -1.596) 1.928 4.650 ( 1.903 -0.195 1.853) 2.663 4.689 ( 2.743 -0.456 -2.191) 3.540 4.809 ( 3.332 -0.667 -0.345) 3.415 4.821 ( 3.226 0.700 -0.340) 3.318 5.933 ( 0.162 -1.194 0.502) 1.306 5.955 ( 0.184 0.939 -0.099) 0.962 6.054 ( -2.264 -0.742 0.132) 2.386 6.068 ( -2.300 0.803 0.024) 2.436 7.341 ( 6.637 -0.224 0.153) 6.643 7.349 ( 5.939 -0.051 -0.544) 5.964 7.644 ( -7.065 -0.149 -0.146) 7.068 7.656 ( -7.040 1.167 -0.159) 7.138 12.249 ( 0.426 -0.088 -0.317) 0.538 12.252 ( 0.386 0.256 -0.301) 0.552 12.571 ( -5.880 -1.086 -1.136) 6.086 12.592 ( -6.366 0.879 -1.989) 6.728 12.729 ( -0.519 0.907 1.949) 2.212 12.764 ( 0.098 0.990 -1.711) 1.979 13.035 ( 2.023 -3.506 0.181) 4.052 13.091 ( -0.081 2.713 -0.850) 2.844======================= Grid point 32 (22/125) =======================q-point: ( 0.56 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( -3.048 -1.468 3.287) 4.717 0.692 ( -5.140 0.502 -1.548) 5.392 0.778 ( -4.437 1.406 6.080) 7.657 0.812 ( -4.832 1.917 1.236) 5.343 0.844 ( -1.750 1.194 -5.705) 6.086 0.935 ( -4.171 6.583 -1.626) 7.961 1.211 ( -8.814 -1.602 1.217) 9.040 1.275 ( -6.212 0.695 -0.070) 6.251 1.517 ( -2.349 -1.267 2.350) 3.556 1.542 ( -1.624 -1.953 -2.085) 3.286 1.631 ( -1.032 -0.839 3.125) 3.396 1.656 ( -0.135 2.278 -0.383) 2.314 1.672 ( -5.391 1.104 -4.202) 6.924 1.732 ( 1.806 4.015 -1.542) 4.664 1.903 ( 4.562 0.544 0.962) 4.694 1.913 ( 4.989 0.265 -1.138) 5.124 2.305 ( -12.892 -0.531 0.581) 12.916 2.308 ( -14.685 -0.426 -0.192) 14.692 2.320 ( -7.990 -0.032 0.532) 8.008 2.329 ( -1.273 0.757 -0.487) 1.559 2.407 ( -7.764 0.749 0.481) 7.815 2.432 ( -7.599 0.332 -0.045) 7.606 2.444 ( 3.490 -3.433 0.311) 4.905 2.524 ( 0.152 0.038 0.930) 0.944 4.449 ( -1.938 -0.134 -0.019) 1.942 4.451 ( -1.886 -0.091 -0.155) 1.895 4.584 ( 3.554 -0.595 0.873) 3.707 4.603 ( 3.274 -0.009 -0.693) 3.347 4.633 ( -1.012 -1.012 0.044) 1.432 4.657 ( -0.906 0.369 0.218) 1.002 4.690 ( 8.368 -0.755 -0.388) 8.411 4.708 ( 8.803 0.085 -0.133) 8.805 5.945 ( -1.695 -0.237 0.075) 1.713 5.976 ( -1.249 1.528 0.046) 1.974 6.090 ( -1.965 -0.968 0.498) 2.246 6.109 ( -1.608 -0.143 -0.356) 1.653 7.227 ( 5.229 -0.402 0.781) 5.302 7.236 ( 5.235 -0.498 -0.940) 5.342 7.769 ( -5.939 0.354 -0.009) 5.950 7.782 ( -5.261 0.937 0.027) 5.344 12.240 ( 0.366 0.015 -0.052) 0.370 12.246 ( 0.412 0.425 -0.038) 0.593 12.665 ( -4.397 -0.665 0.385) 4.464 12.678 ( -3.411 -0.669 -1.195) 3.676 12.751 ( -0.338 0.317 0.313) 0.559 12.770 ( -0.284 2.020 -0.400) 2.079 12.974 ( 1.133 -3.776 0.464) 3.969 13.102 ( 0.738 2.185 -0.512) 2.362======================= Grid point 33 (23/125) =======================q-point: (-0.33 -0.67 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.670 ( -2.587 -1.819 -0.000) 3.163 0.749 ( -1.916 -0.090 0.000) 1.918 0.845 ( -0.256 0.681 0.000) 0.727 0.871 ( -2.421 1.833 0.000) 3.037 0.974 ( -9.448 0.123 0.000) 9.449 1.094 ( -6.349 4.315 0.000) 7.677 1.322 ( -4.614 -2.284 -0.000) 5.148 1.375 ( -2.876 -0.425 -0.000) 2.907 1.455 ( 5.482 -3.122 -0.000) 6.309 1.460 ( 4.978 -1.007 -0.000) 5.078 1.563 ( 1.015 -0.622 -0.000) 1.190 1.669 ( 0.027 -0.784 -0.000) 0.784 1.699 ( 4.608 2.706 0.000) 5.344 1.768 ( 5.705 2.450 0.000) 6.209 1.842 ( -1.817 2.541 0.000) 3.124 1.857 ( 1.241 1.505 0.000) 1.951 2.245 ( 3.364 -1.474 -0.000) 3.673 2.246 ( 5.684 -2.703 -0.000) 6.294 2.293 ( 2.145 -1.210 -0.000) 2.463 2.399 ( 3.330 1.421 0.000) 3.620 2.562 ( -6.965 0.623 0.000) 6.993 2.562 ( -6.976 0.633 0.000) 7.005 2.943 ( -32.333 -0.581 0.000) 32.338 2.945 ( -32.861 -0.268 0.000) 32.862 4.449 ( 13.768 -0.419 -0.000) 13.774 4.452 ( 13.536 -0.177 -0.000) 13.537 4.480 ( -0.717 -0.427 -0.000) 0.835 4.484 ( 0.109 -0.084 -0.000) 0.137 4.537 ( 4.310 -0.171 -0.000) 4.314 4.550 ( 2.574 0.207 -0.000) 2.582 4.648 ( -1.099 -1.186 -0.000) 1.617 4.682 ( -0.751 0.138 0.000) 0.764 5.986 ( -2.215 0.636 0.000) 2.304 6.021 ( -1.871 2.053 0.000) 2.777 6.111 ( -1.020 -1.446 -0.000) 1.769 6.122 ( -0.301 -0.947 -0.000) 0.994 7.138 ( 3.853 -0.667 -0.000) 3.911 7.149 ( 3.115 -0.272 -0.000) 3.127 7.868 ( -3.974 0.444 0.000) 3.998 7.868 ( -3.310 0.391 0.000) 3.333 12.236 ( 0.132 0.093 0.000) 0.161 12.242 ( 0.352 0.333 0.000) 0.484 12.709 ( -1.399 -1.202 -0.000) 1.845 12.721 ( -1.460 -0.215 -0.000) 1.476 12.759 ( -0.847 -0.205 -0.000) 0.872 12.794 ( -0.021 2.855 0.000) 2.855 12.937 ( 0.094 -3.446 -0.000) 3.447 13.095 ( 0.891 0.685 0.000) 1.124======================= Grid point 41 (24/125) =======================q-point: ( 0.44 0.44 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.229 ( 0.000 -0.000 4.100) 4.100 0.249 ( 0.000 -0.000 0.115) 0.115 0.461 ( 0.000 -0.000 7.028) 7.028 0.532 ( -0.000 0.000 -8.206) 8.206 0.779 ( 0.000 -0.000 4.537) 4.537 0.832 ( -0.000 0.000 -6.583) 6.583 0.836 ( 0.000 -0.000 21.154) 21.154 1.017 ( -0.000 0.000 -18.226) 18.226 1.128 ( 0.000 -0.000 1.332) 1.332 1.135 ( -0.000 0.000 -0.194) 0.194 1.671 ( 0.000 -0.000 1.505) 1.505 1.691 ( -0.000 0.000 -2.644) 2.644 1.795 ( 0.000 -0.000 1.874) 1.874 1.819 ( -0.000 0.000 -3.400) 3.400 1.892 ( 0.000 -0.000 2.215) 2.215 1.912 ( -0.000 0.000 -2.265) 2.265 2.050 ( 0.000 -0.000 0.570) 0.570 2.055 ( -0.000 0.000 -0.523) 0.523 2.226 ( 0.000 -0.000 1.546) 1.546 2.240 ( -0.000 0.000 -1.377) 1.377 2.417 ( 0.000 -0.000 0.380) 0.380 2.421 ( -0.000 0.000 -0.315) 0.315 2.662 ( 0.000 -0.000 7.313) 7.313 2.725 ( -0.000 0.000 -6.419) 6.419 4.410 ( -0.000 0.000 -0.103) 0.103 4.411 ( -0.000 0.000 -0.199) 0.199 4.569 ( 0.000 -0.000 1.852) 1.852 4.588 ( -0.000 0.000 -2.245) 2.245 4.687 ( 0.000 -0.000 2.435) 2.435 4.710 ( -0.000 0.000 -2.507) 2.507 4.837 ( 0.000 -0.000 0.458) 0.458 4.841 ( -0.000 0.000 -0.526) 0.526 5.957 ( 0.000 -0.000 0.179) 0.179 5.959 ( -0.000 0.000 -0.216) 0.216 6.028 ( 0.000 -0.000 0.146) 0.146 6.029 ( -0.000 0.000 -0.187) 0.187 7.445 ( 0.000 -0.000 0.062) 0.062 7.446 ( -0.000 0.000 -0.088) 0.088 7.534 ( 0.000 -0.000 0.240) 0.240 7.536 ( -0.000 0.000 -0.345) 0.345 12.253 ( -0.000 0.000 -0.134) 0.134 12.254 ( -0.000 0.000 -0.302) 0.302 12.488 ( 0.000 -0.000 1.797) 1.797 12.507 ( -0.000 0.000 -2.279) 2.279 12.731 ( 0.000 -0.000 2.315) 2.315 12.751 ( -0.000 0.000 -2.132) 2.132 13.074 ( -0.000 0.000 -0.001) 0.001 13.075 ( -0.000 0.000 -0.229) 0.229======================= Grid point 42 (25/125) =======================q-point: (-0.44 -0.56 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.497 ( -12.663 0.017 0.000) 12.663 0.541 ( -9.092 4.351 0.000) 10.079 0.673 ( -10.910 0.460 0.000) 10.920 0.696 ( -9.048 3.056 0.000) 9.550 0.821 ( 0.011 -0.456 -0.000) 0.456 0.852 ( -0.043 3.638 0.000) 3.638 0.998 ( -14.008 -2.957 -0.000) 14.316 1.088 ( -13.712 7.482 0.000) 15.621 1.228 ( -14.099 -1.428 0.000) 14.171 1.284 ( -13.423 4.883 0.000) 14.283 1.631 ( 1.925 -3.933 -0.000) 4.379 1.664 ( 1.443 -0.277 -0.000) 1.469 1.758 ( 4.342 -0.722 -0.000) 4.401 1.761 ( 2.924 -0.294 -0.000) 2.938 1.942 ( -2.393 0.389 0.000) 2.424 1.947 ( -1.986 0.501 0.000) 2.048 2.048 ( -2.557 -1.555 -0.000) 2.993 2.065 ( -3.239 0.704 0.000) 3.314 2.274 ( -3.946 -0.006 0.000) 3.946 2.279 ( -4.580 0.594 0.000) 4.618 2.393 ( 2.857 0.596 0.000) 2.918 2.399 ( 2.065 1.073 0.000) 2.328 2.601 ( 7.221 -2.115 -0.000) 7.524 2.616 ( 6.142 -0.245 -0.000) 6.147 4.419 ( -1.191 -0.334 -0.000) 1.237 4.421 ( -1.213 -0.179 -0.000) 1.226 4.600 ( -1.841 -0.376 -0.000) 1.879 4.604 ( -1.806 0.094 0.000) 1.809 4.668 ( 2.335 -0.370 -0.000) 2.364 4.669 ( 2.540 -0.337 -0.000) 2.562 4.807 ( 3.399 -0.626 -0.000) 3.456 4.819 ( 3.247 0.753 0.000) 3.333 5.935 ( 0.167 -1.273 -0.000) 1.284 5.955 ( 0.161 0.998 0.000) 1.010 6.054 ( -2.426 -0.819 -0.000) 2.561 6.068 ( -2.261 0.830 0.000) 2.408 7.342 ( 6.374 -0.374 -0.000) 6.385 7.346 ( 6.287 0.147 -0.000) 6.289 7.643 ( -7.069 -0.133 0.000) 7.070 7.655 ( -7.087 1.214 0.000) 7.190 12.248 ( 0.400 -0.083 -0.000) 0.409 12.251 ( 0.335 0.298 0.000) 0.449 12.565 ( -6.122 -0.992 -0.000) 6.202 12.584 ( -5.970 1.108 0.000) 6.072 12.745 ( -0.125 0.597 0.000) 0.610 12.749 ( -0.306 1.152 0.000) 1.192 13.036 ( 1.931 -3.392 -0.000) 3.904 13.087 ( 0.042 2.634 0.000) 2.634======================= Grid point 86 (26/125) =======================q-point: ( 0.11 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.143 ( 0.000 12.399 0.000) 12.399 0.256 ( 0.000 15.483 0.000) 15.483 0.369 ( 0.000 8.565 0.000) 8.565 0.398 ( 0.000 24.525 0.000) 24.525 0.825 ( 0.000 3.716 0.000) 3.716 0.827 ( 0.000 9.117 0.000) 9.117 1.019 ( 0.000 1.115 0.000) 1.115 1.042 ( -0.000 -0.667 -0.000) 0.667 1.171 ( 0.000 0.513 0.000) 0.513 1.316 ( -0.000 -2.483 -0.000) 2.483 1.640 ( -0.000 -3.650 -0.000) 3.650 1.657 ( -0.000 -1.266 -0.000) 1.266 1.764 ( -0.000 -1.883 -0.000) 1.883 1.854 ( 0.000 1.460 0.000) 1.460 1.969 ( -0.000 -3.933 -0.000) 3.933 2.014 ( -0.000 -1.774 -0.000) 1.774 2.057 ( -0.000 -0.464 -0.000) 0.464 2.090 ( 0.000 1.476 0.000) 1.476 2.191 ( 0.000 0.885 0.000) 0.885 2.270 ( 0.000 0.296 0.000) 0.296 2.406 ( -0.000 -0.370 -0.000) 0.370 2.408 ( 0.000 0.024 0.000) 0.024 2.424 ( -0.000 -1.013 -0.000) 1.013 2.829 ( -0.000 -2.750 -0.000) 2.750 4.413 ( -0.000 -0.946 -0.000) 0.946 4.414 ( -0.000 -1.114 -0.000) 1.114 4.540 ( 0.000 0.176 0.000) 0.176 4.636 ( 0.000 0.108 0.000) 0.108 4.645 ( -0.000 -0.415 -0.000) 0.415 4.754 ( -0.000 -1.543 -0.000) 1.543 4.832 ( 0.000 0.476 0.000) 0.476 4.854 ( -0.000 -0.141 -0.000) 0.141 5.886 ( -0.000 -0.478 -0.000) 0.478 5.954 ( -0.000 -1.211 -0.000) 1.211 6.040 ( 0.000 0.721 0.000) 0.721 6.079 ( 0.000 0.273 0.000) 0.273 7.443 ( -0.000 -0.203 -0.000) 0.203 7.447 ( -0.000 -0.249 -0.000) 0.249 7.540 ( 0.000 1.038 0.000) 1.038 7.549 ( 0.000 0.311 0.000) 0.311 12.266 ( -0.000 -0.189 -0.000) 0.189 12.270 ( -0.000 -0.204 -0.000) 0.204 12.467 ( 0.000 1.112 0.000) 1.112 12.600 ( 0.000 1.603 0.000) 1.603 12.742 ( -0.000 -1.454 -0.000) 1.454 12.819 ( 0.000 2.687 0.000) 2.687 13.057 ( -0.000 -2.819 -0.000) 2.819 13.124 ( -0.000 -0.208 -0.000) 0.208======================= Grid point 87 (27/125) =======================q-point: ( 0.22 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.371 ( -8.033 11.242 2.485) 14.038 0.489 ( -5.934 5.306 0.744) 7.995 0.519 ( -8.027 10.308 3.237) 13.460 0.826 ( -13.942 6.882 -1.280) 15.600 0.919 ( -7.095 6.378 -0.090) 9.541 1.019 ( 0.600 1.366 -1.697) 2.260 1.074 ( 4.575 2.409 -2.415) 5.707 1.138 ( -10.171 -1.325 1.116) 10.317 1.222 ( -23.612 4.869 2.358) 24.224 1.350 ( -4.027 0.919 0.012) 4.131 1.637 ( -0.382 -0.270 -0.765) 0.897 1.661 ( -2.748 -2.179 -0.446) 3.535 1.725 ( 0.316 -2.607 -0.539) 2.681 1.893 ( 2.907 -4.476 -1.413) 5.521 1.967 ( -7.930 -0.161 -0.383) 7.941 1.990 ( 1.996 -2.308 -1.508) 3.404 2.036 ( -1.739 -2.799 0.230) 3.303 2.082 ( -0.543 1.365 -0.531) 1.562 2.249 ( -4.855 1.227 0.351) 5.020 2.311 ( -3.513 0.164 -0.008) 3.517 2.374 ( 2.617 0.052 -0.872) 2.759 2.390 ( 1.705 -0.257 -0.290) 1.749 2.413 ( 1.539 -0.791 4.829) 5.130 2.599 ( 12.682 3.563 0.083) 13.173 4.417 ( -1.312 -1.004 -0.089) 1.654 4.430 ( -1.837 -0.636 -0.221) 1.957 4.562 ( -1.792 -0.029 0.205) 1.804 4.615 ( 1.985 0.077 0.023) 1.987 4.642 ( -0.193 -0.541 -0.039) 0.575 4.711 ( 2.828 -1.645 -0.358) 3.291 4.816 ( 3.681 -0.433 -0.478) 3.737 4.825 ( 3.041 -0.846 0.262) 3.167 5.900 ( -1.706 -0.279 0.289) 1.753 5.961 ( -1.198 -0.622 -0.024) 1.350 6.054 ( -0.667 0.719 -0.072) 0.983 6.079 ( -0.877 0.760 0.033) 1.161 7.336 ( 7.183 -0.230 -0.004) 7.187 7.354 ( 5.491 -1.009 -0.141) 5.585 7.658 ( -7.025 0.439 -0.524) 7.058 7.664 ( -6.885 0.501 0.596) 6.929 12.258 ( 0.533 -0.190 -0.238) 0.614 12.260 ( 0.606 -0.147 0.055) 0.626 12.579 ( -6.375 -2.519 -0.438) 6.869 12.650 ( -3.367 1.789 -0.127) 3.815 12.729 ( -0.418 -1.657 -0.624) 1.820 12.835 ( 0.727 3.360 -0.696) 3.507 12.961 ( 4.021 -3.110 0.693) 5.130 13.155 ( -0.822 -0.868 -0.790) 1.433======================= Grid point 88 (28/125) =======================q-point: ( 0.33 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.594 ( -6.057 5.481 -0.448) 8.181 0.659 ( -7.875 5.236 3.198) 9.983 0.700 ( -3.017 4.125 2.627) 5.746 0.911 ( -1.021 -0.629 -4.029) 4.204 0.998 ( 1.446 1.697 -2.445) 3.309 1.056 ( -1.888 5.178 -0.973) 5.597 1.112 ( -5.353 2.323 4.543) 7.395 1.243 ( -2.918 -2.876 0.920) 4.199 1.457 ( -0.601 -1.517 -0.159) 1.639 1.487 ( -1.574 -0.902 1.778) 2.541 1.641 ( -0.218 -1.737 -1.488) 2.298 1.715 ( 2.202 1.141 -0.796) 2.605 1.781 ( -2.735 3.977 -0.632) 4.868 1.847 ( -2.521 -0.430 -1.889) 3.180 1.888 ( 3.994 0.583 0.961) 4.149 1.988 ( 2.284 -0.127 -2.435) 3.341 2.237 ( -3.960 -1.262 0.262) 4.164 2.288 ( -8.727 1.486 1.652) 9.005 2.336 ( -8.300 -1.090 -1.974) 8.601 2.348 ( -16.555 -0.238 -0.674) 16.571 2.375 ( -3.416 -0.445 0.411) 3.470 2.413 ( -4.686 -0.603 4.252) 6.357 2.433 ( -0.048 -0.089 -0.766) 0.772 2.452 ( -5.311 0.523 0.725) 5.385 4.445 ( -2.066 -0.479 -0.050) 2.121 4.465 ( -1.974 0.179 -0.307) 2.005 4.556 ( 3.069 -0.086 0.318) 3.087 4.607 ( -1.260 -0.372 -0.051) 1.315 4.626 ( 4.450 -0.802 -0.230) 4.527 4.643 ( 0.410 -0.552 0.286) 0.744 4.699 ( 7.251 -0.738 -0.440) 7.302 4.706 ( 8.642 -0.585 0.052) 8.662 5.947 ( -2.927 0.525 -0.117) 2.976 5.992 ( -1.915 0.850 0.217) 2.106 6.071 ( -0.622 0.175 0.097) 0.654 6.106 ( -1.470 -0.812 0.018) 1.679 7.210 ( 5.736 -0.232 0.145) 5.742 7.242 ( 4.951 -1.240 -0.340) 5.116 7.782 ( -5.653 0.725 -0.270) 5.705 7.789 ( -5.267 0.781 0.394) 5.339 12.245 ( 0.513 0.121 -0.223) 0.572 12.251 ( 0.462 0.191 0.199) 0.538 12.659 ( -3.810 -0.795 -0.105) 3.894 12.708 ( -1.396 -0.846 -1.159) 2.002 12.747 ( -2.631 0.237 -0.040) 2.642 12.835 ( 0.908 2.338 -1.631) 2.991 12.885 ( 2.432 -1.775 2.431) 3.870 13.138 ( 1.064 -1.157 -0.692) 1.718======================= Grid point 89 (29/125) =======================q-point: ( 0.44 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.684 ( -2.474 0.687 -2.015) 3.264 0.751 ( -0.925 0.786 2.170) 2.486 0.839 ( -4.419 1.249 -4.100) 6.156 0.945 ( -2.529 3.127 -0.446) 4.046 0.984 ( -1.654 1.183 1.498) 2.526 1.140 ( -3.369 2.051 -0.440) 3.969 1.207 ( -3.352 -2.183 2.811) 4.889 1.296 ( -3.812 -2.512 3.566) 5.793 1.420 ( 2.942 1.269 -0.003) 3.204 1.449 ( 3.631 0.978 0.634) 3.813 1.612 ( 4.735 -1.759 -1.338) 5.225 1.644 ( -0.921 -1.754 -0.690) 2.098 1.740 ( 5.812 1.414 -0.662) 6.018 1.846 ( 4.322 2.215 -0.707) 4.908 1.875 ( -0.024 3.379 -0.449) 3.409 1.946 ( 1.110 -1.040 -1.823) 2.374 2.171 ( 2.901 -1.183 -1.336) 3.406 2.234 ( 6.185 -0.082 0.460) 6.203 2.289 ( 1.368 -1.011 -0.712) 1.844 2.359 ( 2.408 0.572 3.423) 4.224 2.561 ( -7.077 0.833 0.202) 7.128 2.580 ( -6.457 0.584 -0.092) 6.484 2.931 ( -32.936 0.181 0.102) 32.936 2.947 ( -33.049 -0.827 -0.113) 33.060 4.441 ( 14.331 -0.022 -0.016) 14.331 4.450 ( 12.608 -0.261 0.069) 12.610 4.475 ( -0.476 -0.148 -0.040) 0.500 4.495 ( 3.546 0.444 -0.069) 3.575 4.514 ( 0.200 -0.131 0.099) 0.259 4.571 ( 2.899 -1.058 -0.545) 3.134 4.640 ( -1.227 -0.454 -0.794) 1.530 4.668 ( -0.748 0.020 0.944) 1.205 6.009 ( -2.831 1.018 -0.728) 3.096 6.046 ( -2.183 1.932 0.670) 2.991 6.076 ( 0.028 -0.426 0.255) 0.497 6.113 ( -0.432 -1.854 -0.149) 1.910 7.121 ( 3.495 -0.093 0.192) 3.502 7.153 ( 3.184 -0.956 -0.324) 3.340 7.874 ( -3.257 0.511 0.017) 3.297 7.877 ( -3.489 0.621 -0.055) 3.544 12.240 ( 0.281 0.435 -0.104) 0.528 12.246 ( 0.415 0.342 0.103) 0.548 12.704 ( -1.124 -0.435 -0.735) 1.411 12.723 ( -1.976 -0.660 0.092) 2.085 12.763 ( 0.145 -0.763 -1.797) 1.958 12.845 ( 0.084 -1.527 2.908) 3.285 12.869 ( -0.165 3.753 -0.544) 3.795 13.102 ( 0.993 -1.563 -0.602) 1.947======================= Grid point 90 (30/125) =======================q-point: ( 0.56 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.712 ( -1.166 0.188 -3.224) 3.433 0.773 ( -1.274 -0.438 -0.190) 1.361 0.844 ( 0.045 -1.518 -1.385) 2.056 0.962 ( 1.227 1.441 1.701) 2.545 1.119 ( -6.676 0.301 -0.333) 6.691 1.203 ( -3.679 -1.831 -1.516) 4.380 1.281 ( -4.199 -0.317 3.977) 5.792 1.333 ( 5.119 0.492 -1.015) 5.242 1.373 ( 0.414 1.199 1.451) 1.927 1.381 ( 2.434 1.270 -1.149) 2.976 1.558 ( -0.521 -0.302 0.968) 1.140 1.629 ( 1.125 -0.580 -0.975) 1.598 1.654 ( 3.889 1.861 -0.072) 4.312 1.766 ( 4.393 1.346 -0.727) 4.651 1.855 ( 1.940 -1.801 -1.770) 3.185 1.925 ( 0.345 -0.069 1.459) 1.501 2.134 ( -0.306 0.037 -3.060) 3.076 2.151 ( 1.395 -0.205 -0.703) 1.576 2.274 ( -0.138 -0.408 -0.252) 0.499 2.336 ( 1.710 0.465 2.102) 2.750 2.663 ( -2.645 0.233 -0.085) 2.657 2.670 ( -2.377 0.109 -0.167) 2.386 3.503 ( -24.685 0.063 0.014) 24.685 3.509 ( -24.174 -0.174 -0.046) 24.174 4.115 ( 17.886 -0.089 -0.241) 17.888 4.131 ( 17.192 -0.031 0.187) 17.193 4.445 ( 1.296 0.024 -0.531) 1.401 4.479 ( 0.517 0.489 0.495) 0.867 4.527 ( -0.332 -0.045 -0.104) 0.351 4.542 ( 0.118 -0.489 -0.223) 0.551 4.653 ( -0.788 -0.221 -0.798) 1.143 4.683 ( -0.346 0.063 0.380) 0.518 6.046 ( -0.057 -0.278 -0.233) 0.367 6.073 ( -0.706 -0.145 -1.090) 1.306 6.080 ( 0.782 -0.177 0.318) 0.863 6.119 ( -1.742 0.862 0.804) 2.103 7.077 ( 1.089 -0.005 -0.201) 1.108 7.109 ( 0.788 -0.378 0.114) 0.881 7.915 ( -0.891 0.181 -0.255) 0.944 7.924 ( -1.043 0.162 -0.055) 1.057 12.238 ( 0.306 0.260 -0.156) 0.431 12.239 ( 0.357 0.132 -0.198) 0.429 12.709 ( -0.540 -0.556 -0.901) 1.188 12.738 ( -0.713 -1.597 -1.872) 2.562 12.762 ( -0.041 1.282 1.557) 2.017 12.833 ( 0.752 -1.344 2.460) 2.902 12.908 ( -0.669 3.443 -1.717) 3.905 13.078 ( -0.080 -1.601 -0.340) 1.639======================= Grid point 91 (31/125) =======================q-point: (-0.33 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.694 ( 0.230 -0.805 -3.361) 3.463 0.783 ( 1.690 0.614 -0.354) 1.833 0.855 ( -2.710 -1.049 1.308) 3.187 0.919 ( 5.241 -0.941 3.233) 6.229 1.129 ( 7.998 1.014 -4.632) 9.298 1.175 ( 5.331 -1.622 -2.394) 6.065 1.244 ( -4.367 -2.229 -1.413) 5.103 1.366 ( 0.335 1.614 0.389) 1.694 1.404 ( -5.429 1.975 -0.343) 5.787 1.420 ( -0.687 2.816 -0.020) 2.899 1.577 ( -0.833 -0.051 0.000) 0.834 1.629 ( -2.793 -0.410 2.618) 3.850 1.639 ( -1.185 1.411 0.819) 2.017 1.728 ( -0.742 -1.348 0.502) 1.619 1.794 ( 1.018 -3.156 -2.173) 3.965 1.925 ( 0.670 -0.763 3.176) 3.335 2.142 ( -2.361 -0.235 -3.794) 4.475 2.173 ( -2.770 1.400 -1.226) 3.337 2.284 ( -1.425 0.041 -0.554) 1.529 2.325 ( 0.077 -0.104 0.391) 0.412 2.653 ( 3.488 -0.289 -0.359) 3.518 2.662 ( 3.057 -0.277 -0.133) 3.073 3.501 ( 24.815 -0.033 -0.248) 24.816 3.519 ( 23.286 0.298 0.306) 23.290 4.116 ( -18.114 -0.005 -0.334) 18.117 4.138 ( -17.655 0.246 0.270) 17.658 4.444 ( -1.532 0.043 -0.840) 1.748 4.494 ( -0.742 1.233 0.503) 1.524 4.519 ( 0.862 -0.408 -0.094) 0.959 4.536 ( -0.441 -0.883 0.335) 1.042 4.658 ( -0.236 0.083 -0.699) 0.743 4.682 ( 0.514 0.022 -0.297) 0.594 6.020 ( 1.688 -0.768 0.137) 1.859 6.036 ( 1.798 -1.671 -0.479) 2.501 6.095 ( -0.490 0.861 -0.989) 1.400 6.158 ( -0.550 1.389 0.921) 1.755 7.078 ( -1.365 0.026 -0.555) 1.474 7.118 ( -1.689 0.157 0.528) 1.776 7.909 ( 1.328 -0.107 -0.292) 1.364 7.917 ( 1.705 -0.204 -0.153) 1.724 12.229 ( 0.232 -0.210 -0.425) 0.527 12.237 ( -0.014 -0.011 -0.165) 0.166 12.707 ( -0.032 -0.493 -0.853) 0.986 12.735 ( -0.838 -0.920 -1.030) 1.615 12.773 ( 0.694 1.245 1.618) 2.156 12.819 ( 0.768 -1.395 1.925) 2.498 12.929 ( -0.021 3.331 -2.636) 4.248 13.077 ( -1.064 -1.429 0.233) 1.797======================= Grid point 92 (32/125) =======================q-point: (-0.22 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.676 ( 1.961 0.383 -0.117) 2.002 0.719 ( 7.426 -0.904 -2.711) 7.957 0.735 ( 6.738 -2.021 -2.970) 7.636 0.926 ( -2.622 -0.050 2.007) 3.302 0.989 ( 6.710 1.168 0.017) 6.811 1.029 ( 5.893 -2.407 1.231) 6.484 1.228 ( 4.365 -0.648 -4.821) 6.536 1.336 ( 2.604 0.574 -1.492) 3.056 1.460 ( -4.322 1.835 -1.008) 4.802 1.545 ( -5.433 3.968 0.382) 6.738 1.641 ( -2.983 -0.071 2.683) 4.013 1.664 ( 1.594 -2.908 0.182) 3.321 1.688 ( -1.501 0.178 2.005) 2.511 1.766 ( -3.971 -1.371 0.270) 4.210 1.805 ( -6.227 -0.326 -0.339) 6.245 1.915 ( 1.275 -1.148 4.397) 4.720 2.180 ( -3.767 -0.773 -3.639) 5.295 2.243 ( -4.084 0.842 -2.146) 4.690 2.329 ( -2.413 0.941 0.070) 2.590 2.341 ( -2.848 -0.612 -1.131) 3.125 2.536 ( 7.789 -0.431 -0.517) 7.818 2.560 ( 6.864 -0.327 -0.014) 6.872 2.926 ( 33.025 -0.067 -0.438) 33.028 2.981 ( 31.235 0.627 0.725) 31.250 4.442 ( -14.465 0.017 -0.211) 14.466 4.470 ( -12.574 0.835 0.098) 12.602 4.487 ( -0.395 0.175 0.093) 0.442 4.489 ( -0.878 0.058 0.088) 0.885 4.497 ( -1.855 -0.879 -0.681) 2.162 4.590 ( -4.801 0.176 1.131) 4.936 4.656 ( 0.810 0.466 -0.375) 1.006 4.662 ( 0.827 -0.327 -0.748) 1.161 5.979 ( 2.170 -0.315 -0.144) 2.197 5.989 ( 1.624 -0.997 -0.223) 1.918 6.093 ( 0.694 0.294 -0.847) 1.134 6.164 ( 1.280 0.707 0.651) 1.601 7.125 ( -3.735 0.055 -0.507) 3.770 7.177 ( -3.871 0.327 0.648) 3.938 7.858 ( 4.023 -0.285 -0.174) 4.037 7.861 ( 3.491 -0.167 -0.111) 3.497 12.228 ( -0.523 -0.177 -0.262) 0.611 12.239 ( -0.319 -0.066 -0.016) 0.327 12.695 ( 0.607 -0.245 -0.485) 0.815 12.742 ( -0.523 -0.110 -0.292) 0.609 12.773 ( 1.046 0.720 1.302) 1.819 12.790 ( 1.919 -1.267 1.020) 2.515 12.952 ( -1.208 2.913 -1.953) 3.710 13.091 ( -1.187 -1.408 0.803) 2.009======================= Grid point 93 (33/125) =======================q-point: (-0.11 0.00 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.446 ( 12.442 0.000 -7.636) 14.598 0.589 ( 7.436 -0.000 -1.637) 7.614 0.616 ( 9.808 -0.000 -2.528) 10.129 0.929 ( 7.602 -0.000 8.048) 11.071 0.940 ( -3.183 0.000 0.872) 3.301 0.975 ( -1.291 -0.000 2.323) 2.658 1.080 ( 7.302 0.000 -7.584) 10.528 1.305 ( 0.390 -0.000 0.483) 0.621 1.479 ( 13.954 -0.000 -0.853) 13.980 1.567 ( -4.605 0.000 -1.074) 4.729 1.606 ( 11.742 -0.000 0.886) 11.776 1.658 ( -2.512 0.000 0.334) 2.534 1.729 ( -1.802 -0.000 2.148) 2.804 1.854 ( -4.911 0.000 0.530) 4.939 1.915 ( -0.401 -0.000 4.773) 4.790 1.938 ( -6.422 0.000 0.414) 6.435 2.244 ( -4.790 0.000 -2.712) 5.504 2.307 ( -0.719 0.000 -0.139) 0.732 2.331 ( 22.847 -0.000 0.195) 22.848 2.356 ( 3.099 -0.000 1.593) 3.484 2.373 ( 6.855 -0.000 -0.749) 6.896 2.416 ( -3.241 0.000 -1.586) 3.608 2.426 ( 7.652 -0.000 -0.075) 7.652 2.455 ( 17.113 -0.000 -3.036) 17.380 4.455 ( 1.628 -0.000 0.114) 1.632 4.456 ( 1.679 -0.000 0.149) 1.686 4.560 ( -3.573 0.000 -0.471) 3.604 4.614 ( 2.130 -0.000 -0.108) 2.132 4.639 ( -6.072 0.000 0.100) 6.073 4.652 ( 0.096 -0.000 -0.005) 0.096 4.716 ( -9.538 0.000 0.293) 9.543 4.717 ( -7.114 0.000 0.415) 7.126 5.936 ( 1.901 -0.000 -0.477) 1.959 5.960 ( 0.911 -0.000 0.025) 0.911 6.070 ( 1.311 0.000 -0.573) 1.431 6.127 ( 2.932 -0.000 0.256) 2.943 7.214 ( -5.820 0.000 -0.227) 5.824 7.270 ( -5.261 0.000 0.650) 5.301 7.766 ( 5.370 -0.000 -0.038) 5.370 7.775 ( 5.524 -0.000 0.070) 5.524 12.243 ( -1.075 0.000 0.079) 1.078 12.248 ( -0.575 0.000 0.155) 0.596 12.675 ( 1.567 -0.000 0.678) 1.707 12.718 ( 3.808 -0.000 -0.865) 3.905 12.747 ( 0.291 -0.000 1.047) 1.087 12.781 ( -0.241 -0.000 1.126) 1.151 13.002 ( -2.893 0.000 -0.560) 2.947 13.106 ( -0.660 -0.000 1.182) 1.354======================= Grid point 94 (34/125) =======================q-point: ( 0.00 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.409 ( 14.202 -0.000 -0.000) 14.202 0.581 ( 7.346 -0.000 -0.000) 7.346 0.605 ( 10.525 -0.000 -0.000) 10.525 0.944 ( -3.625 0.000 0.000) 3.625 0.984 ( -0.553 0.000 0.000) 0.553 1.003 ( 4.355 -0.000 -0.000) 4.355 1.012 ( 8.979 -0.000 -0.000) 8.979 1.308 ( -0.101 0.000 0.000) 0.101 1.475 ( 14.833 -0.000 -0.000) 14.833 1.562 ( -5.116 0.000 0.000) 5.116 1.610 ( 12.154 -0.000 -0.000) 12.154 1.659 ( -2.602 0.000 0.000) 2.602 1.740 ( -1.746 0.000 0.000) 1.746 1.855 ( -5.045 0.000 0.000) 5.045 1.939 ( -6.500 0.000 0.000) 6.500 1.941 ( -0.456 0.000 0.000) 0.456 2.229 ( -5.354 0.000 0.000) 5.354 2.306 ( -4.099 0.000 0.000) 4.099 2.332 ( 23.793 -0.000 -0.000) 23.793 2.367 ( -2.022 0.000 0.000) 2.022 2.368 ( 8.737 -0.000 -0.000) 8.737 2.409 ( -3.896 0.000 0.000) 3.896 2.426 ( 7.782 -0.000 -0.000) 7.782 2.438 ( 24.041 -0.000 -0.000) 24.041 4.456 ( 1.598 -0.000 -0.000) 1.598 4.457 ( 1.651 -0.000 -0.000) 1.651 4.558 ( -3.592 0.000 0.000) 3.592 4.613 ( 2.612 -0.000 -0.000) 2.612 4.640 ( -6.717 0.000 0.000) 6.717 4.652 ( 0.165 -0.000 -0.000) 0.165 4.718 ( -9.796 0.000 0.000) 9.796 4.719 ( -7.004 0.000 0.000) 7.004 5.934 ( 2.012 -0.000 -0.000) 2.012 5.960 ( 0.891 -0.000 -0.000) 0.891 6.068 ( 1.305 -0.000 -0.000) 1.305 6.128 ( 2.989 -0.000 -0.000) 2.989 7.213 ( -5.865 0.000 0.000) 5.865 7.273 ( -5.329 0.000 0.000) 5.329 7.766 ( 5.312 -0.000 -0.000) 5.312 7.775 ( 5.494 -0.000 -0.000) 5.494 12.243 ( -1.150 0.000 0.000) 1.150 12.249 ( -0.619 0.000 0.000) 0.619 12.679 ( 0.784 -0.000 -0.000) 0.784 12.713 ( 4.633 -0.000 -0.000) 4.633 12.751 ( -0.314 0.000 0.000) 0.314 12.786 ( -0.221 0.000 0.000) 0.221 12.999 ( -3.080 0.000 0.000) 3.080 13.112 ( -0.860 0.000 0.000) 0.860======================= Grid point 96 (35/125) =======================q-point: ( 0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.200 ( -0.000 8.879 10.200) 13.523 0.265 ( -0.000 15.130 1.922) 15.251 0.364 ( -0.000 11.679 0.990) 11.721 0.457 ( -0.000 18.880 10.212) 21.465 0.805 ( -0.000 8.643 -4.612) 9.796 0.815 ( -0.000 3.891 -1.811) 4.292 1.000 ( -0.000 1.059 -3.489) 3.646 1.060 ( 0.000 -0.150 3.022) 3.026 1.166 ( -0.000 2.307 -0.665) 2.401 1.303 ( 0.000 -1.984 -2.869) 3.488 1.639 ( 0.000 -3.536 -0.204) 3.542 1.660 ( 0.000 -3.452 0.420) 3.477 1.759 ( 0.000 -2.158 -0.857) 2.322 1.857 ( -0.000 1.213 0.402) 1.278 1.949 ( 0.000 -3.248 -4.123) 5.249 2.002 ( 0.000 -0.844 -2.459) 2.599 2.051 ( -0.000 0.547 -0.604) 0.814 2.082 ( -0.000 1.165 -1.368) 1.797 2.195 ( -0.000 0.887 0.824) 1.211 2.268 ( -0.000 0.338 -0.353) 0.488 2.409 ( 0.000 0.043 0.258) 0.262 2.422 ( 0.000 -0.483 2.445) 2.493 2.450 ( 0.000 -1.187 5.081) 5.218 2.816 ( 0.000 -2.900 -2.522) 3.843 4.412 ( 0.000 -0.926 -0.240) 0.957 4.412 ( 0.000 -1.091 -0.254) 1.120 4.542 ( -0.000 0.204 0.382) 0.433 4.636 ( 0.000 0.019 0.332) 0.332 4.640 ( 0.000 -0.346 -0.972) 1.032 4.750 ( 0.000 -1.517 -0.900) 1.764 4.833 ( -0.000 0.485 0.154) 0.509 4.855 ( 0.000 -0.080 0.097) 0.126 5.898 ( 0.000 -1.635 2.051) 2.623 5.953 ( 0.000 -1.233 -0.154) 1.243 6.040 ( -0.000 0.748 -0.039) 0.749 6.070 ( -0.000 1.156 -1.618) 1.988 7.443 ( 0.000 -0.202 0.004) 0.202 7.446 ( 0.000 -0.245 -0.044) 0.249 7.540 ( -0.000 1.062 0.052) 1.064 7.552 ( -0.000 0.393 0.340) 0.520 12.265 ( 0.000 -0.142 -0.299) 0.331 12.269 ( 0.000 -0.158 -0.374) 0.406 12.469 ( -0.000 1.149 0.440) 1.230 12.595 ( -0.000 1.707 -1.201) 2.087 12.725 ( -0.000 0.570 -2.455) 2.520 12.815 ( -0.000 2.576 -0.868) 2.718 13.057 ( 0.000 -2.664 0.057) 2.665 13.110 ( -0.000 0.791 -2.200) 2.338======================= Grid point 97 (36/125) =======================q-point: ( 0.33 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.409 ( -7.168 8.727 5.269) 12.462 0.514 ( -6.995 5.254 4.955) 10.054 0.564 ( -6.993 8.608 5.973) 12.597 0.804 ( -7.004 7.750 -3.249) 10.939 0.917 ( -13.315 5.512 -0.374) 14.415 0.992 ( -0.004 1.188 -3.834) 4.014 1.041 ( -0.286 3.653 -4.044) 5.457 1.155 ( -8.551 -1.046 2.168) 8.884 1.253 ( -19.074 4.836 3.547) 19.995 1.351 ( -5.807 2.060 0.128) 6.162 1.621 ( -0.750 -0.892 -2.669) 2.912 1.655 ( -1.702 -2.317 -0.781) 2.979 1.719 ( -0.259 -2.395 -0.509) 2.462 1.866 ( 2.534 -3.590 -4.313) 6.158 1.959 ( -9.082 -1.620 -1.235) 9.308 1.976 ( 3.346 0.527 -1.096) 3.561 2.034 ( -0.319 -2.267 -0.762) 2.413 2.076 ( -1.783 0.704 -0.578) 2.002 2.255 ( -4.706 1.211 0.891) 4.941 2.310 ( -3.813 0.378 -0.396) 3.852 2.379 ( 4.094 -0.251 1.882) 4.513 2.392 ( 1.624 -0.061 0.629) 1.743 2.462 ( 1.050 -1.244 5.326) 5.569 2.601 ( 12.094 1.527 0.235) 12.192 4.416 ( -1.351 -0.960 -0.217) 1.672 4.426 ( -1.844 -0.593 -0.550) 2.013 4.566 ( -1.771 -0.014 0.630) 1.880 4.616 ( 1.828 -0.172 0.209) 1.848 4.641 ( -0.351 -0.387 -0.235) 0.573 4.704 ( 2.708 -1.560 -1.031) 3.291 4.810 ( 3.552 -0.387 -0.626) 3.628 4.827 ( 3.365 -0.466 0.150) 3.401 5.905 ( -1.389 -0.568 0.637) 1.630 5.961 ( -1.277 -0.599 -0.063) 1.412 6.052 ( -0.799 0.621 -0.158) 1.024 6.079 ( -1.080 0.736 0.065) 1.309 7.336 ( 7.106 -0.247 -0.008) 7.110 7.352 ( 5.700 -0.783 -0.315) 5.762 7.653 ( -6.993 0.568 -0.379) 7.027 7.670 ( -6.860 0.644 0.516) 6.909 12.255 ( 0.559 -0.175 -0.382) 0.700 12.260 ( 0.481 0.037 -0.081) 0.490 12.573 ( -6.138 -1.674 -0.878) 6.422 12.645 ( -3.594 1.313 -1.301) 4.041 12.723 ( -0.657 -0.634 -0.265) 0.950 12.824 ( 0.758 2.860 -1.595) 3.361 12.971 ( 3.737 -2.608 1.390) 4.764 13.143 ( -1.086 -0.370 -1.740) 2.084======================= Grid point 98 (37/125) =======================q-point: ( 0.44 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.594 ( -5.045 3.430 0.586) 6.129 0.698 ( -6.395 4.089 4.851) 9.009 0.725 ( -2.375 3.199 2.416) 4.659 0.873 ( -2.140 1.402 -3.687) 4.488 0.968 ( 0.572 2.201 -4.110) 4.697 1.049 ( -2.170 5.040 -0.623) 5.522 1.153 ( -5.608 1.051 4.318) 7.155 1.254 ( -3.724 -1.437 1.471) 4.254 1.459 ( -0.531 -1.716 0.640) 1.907 1.506 ( 0.216 -0.951 2.137) 2.349 1.623 ( -1.677 -1.447 -2.185) 3.111 1.704 ( 3.216 0.638 -1.624) 3.659 1.774 ( -3.690 4.462 -0.927) 5.864 1.825 ( -2.396 0.851 -2.714) 3.720 1.896 ( 3.711 0.451 0.873) 3.839 1.961 ( 2.887 0.654 -3.198) 4.358 2.246 ( -4.605 -2.256 1.691) 5.400 2.303 ( -14.705 0.421 1.362) 14.774 2.321 ( -7.899 -0.158 -1.021) 7.966 2.343 ( -13.248 -0.116 -0.496) 13.258 2.376 ( -0.320 -1.284 -0.282) 1.353 2.427 ( -3.432 0.350 -0.486) 3.484 2.447 ( -3.543 0.009 2.040) 4.088 2.464 ( -2.977 -0.373 2.816) 4.115 4.444 ( -2.103 -0.425 -0.027) 2.146 4.461 ( -2.036 0.178 -0.535) 2.113 4.560 ( 3.055 -0.231 0.640) 3.130 4.606 ( -0.334 -0.522 -0.161) 0.640 4.623 ( 2.940 -0.810 -0.449) 3.082 4.647 ( 0.854 -0.374 0.608) 1.114 4.694 ( 7.085 -0.586 -0.673) 7.141 4.706 ( 8.771 -0.574 -0.048) 8.790 5.946 ( -2.727 0.303 -0.151) 2.748 5.994 ( -2.061 0.963 0.287) 2.293 6.072 ( -0.870 -0.173 0.157) 0.901 6.106 ( -1.259 -0.579 0.026) 1.386 7.212 ( 5.636 -0.290 0.290) 5.651 7.238 ( 5.016 -1.090 -0.581) 5.166 7.780 ( -5.765 0.738 -0.167) 5.814 7.792 ( -5.082 0.796 0.348) 5.156 12.244 ( 0.414 0.093 -0.195) 0.468 12.253 ( 0.485 0.342 0.162) 0.615 12.657 ( -4.054 -0.608 -0.148) 4.102 12.694 ( -1.865 -0.826 -1.760) 2.694 12.747 ( -1.651 -0.295 -0.063) 1.678 12.823 ( 0.286 2.512 -1.082) 2.750 12.907 ( 2.377 -1.194 2.375) 3.566 13.129 ( 0.879 -1.025 -1.107) 1.746======================= Grid point 99 (38/125) =======================q-point: ( 0.56 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.666 ( -2.242 0.127 -1.752) 2.849 0.756 ( -0.961 -1.099 -1.539) 2.121 0.822 ( -2.606 1.271 0.973) 3.058 0.936 ( -1.480 2.758 -1.405) 3.431 0.992 ( -4.857 1.891 0.199) 5.216 1.137 ( -3.518 0.844 -0.112) 3.620 1.243 ( -2.900 -0.942 4.625) 5.540 1.325 ( -3.512 -2.231 2.324) 4.766 1.424 ( 2.590 0.015 0.956) 2.761 1.453 ( 4.559 1.906 0.297) 4.951 1.594 ( 3.613 -1.540 -2.659) 4.743 1.640 ( -0.351 -1.526 0.169) 1.575 1.735 ( 5.512 1.484 -0.461) 5.727 1.836 ( 4.875 2.521 -1.484) 5.685 1.871 ( 0.219 2.687 -0.174) 2.701 1.925 ( 0.074 0.667 -2.705) 2.787 2.168 ( 3.703 -2.770 0.472) 4.649 2.230 ( 5.981 -1.785 -1.063) 6.331 2.288 ( 1.328 -0.237 0.192) 1.363 2.389 ( 2.833 0.870 2.924) 4.163 2.563 ( -6.964 0.667 0.317) 7.003 2.579 ( -6.469 0.535 -0.221) 6.495 2.932 ( -32.915 -0.004 0.157) 32.915 2.945 ( -33.001 -0.544 -0.172) 33.006 4.442 ( 14.191 -0.135 0.061) 14.192 4.450 ( 12.729 -0.280 -0.037) 12.732 4.475 ( -0.017 -0.097 0.064) 0.117 4.492 ( 2.327 0.444 -0.481) 2.417 4.517 ( 1.062 -0.278 0.696) 1.299 4.564 ( 2.757 -0.829 -0.886) 3.013 4.634 ( -1.233 -0.775 -0.516) 1.545 4.675 ( -0.725 -0.016 0.699) 1.008 6.003 ( -2.734 0.800 -0.591) 2.910 6.051 ( -2.064 2.008 0.392) 2.906 6.080 ( -0.346 -0.845 0.508) 1.045 6.111 ( -0.224 -1.473 -0.254) 1.512 7.123 ( 3.569 -0.270 0.277) 3.590 7.149 ( 3.064 -0.778 -0.427) 3.190 7.874 ( -3.165 0.444 0.025) 3.197 7.876 ( -3.510 0.545 -0.068) 3.553 12.239 ( 0.226 0.312 -0.085) 0.394 12.247 ( 0.526 0.349 0.085) 0.637 12.697 ( -0.984 -0.788 -0.658) 1.422 12.719 ( -2.024 -1.185 -0.861) 2.498 12.754 ( -0.489 -0.162 -0.158) 0.538 12.857 ( -1.178 3.062 -0.501) 3.319 12.875 ( 1.608 -0.666 2.183) 2.792 13.096 ( 0.821 -1.621 -0.775) 1.975======================= Grid point 100 (39/125) =======================q-point: ( 0.67 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.680 ( -0.855 -1.453 -3.452) 3.842 0.771 ( -2.810 -1.200 -0.256) 3.066 0.841 ( 0.618 -0.481 0.314) 0.844 0.977 ( -0.533 2.536 1.623) 3.057 1.112 ( -5.788 -1.134 -1.233) 6.025 1.189 ( -3.371 -2.748 -1.030) 4.470 1.313 ( 5.537 -0.392 -0.391) 5.565 1.323 ( 0.151 1.361 1.762) 2.231 1.372 ( -0.048 0.950 -0.376) 1.023 1.388 ( 1.360 1.187 1.796) 2.546 1.562 ( -1.515 -1.163 -0.610) 2.005 1.628 ( 1.039 0.103 0.671) 1.241 1.658 ( 3.854 2.227 1.168) 4.602 1.752 ( 3.898 1.622 -2.278) 4.798 1.841 ( 1.849 -2.540 -1.380) 3.431 1.937 ( -0.365 1.153 0.983) 1.558 2.107 ( 0.329 -1.222 -2.426) 2.736 2.147 ( 0.729 -1.526 -0.288) 1.715 2.271 ( 0.259 -0.123 -0.351) 0.453 2.353 ( 2.405 0.635 1.537) 2.924 2.662 ( -2.551 0.080 -0.051) 2.553 2.669 ( -2.417 0.047 -0.187) 2.425 3.503 ( -24.690 -0.017 0.020) 24.690 3.509 ( -24.159 -0.092 -0.049) 24.159 4.113 ( 17.997 -0.238 -0.162) 18.000 4.133 ( 17.058 0.078 0.110) 17.059 4.441 ( 1.403 -0.288 -0.349) 1.474 4.483 ( 0.473 0.768 0.316) 0.956 4.526 ( -0.319 -0.102 -0.048) 0.338 4.540 ( -0.086 -0.511 -0.234) 0.568 4.646 ( -0.880 -0.540 -0.579) 1.183 4.686 ( -0.095 -0.003 0.211) 0.231 6.045 ( -0.727 -0.082 -0.124) 0.742 6.064 ( -0.002 -0.746 -0.813) 1.103 6.082 ( 0.979 -0.387 0.243) 1.080 6.125 ( -1.928 1.313 0.518) 2.390 7.076 ( 1.210 -0.236 -0.167) 1.244 7.110 ( 0.634 -0.176 0.091) 0.665 7.912 ( -0.876 0.030 -0.213) 0.902 7.924 ( -1.034 0.107 -0.060) 1.042 12.237 ( 0.402 0.095 -0.127) 0.432 12.238 ( 0.338 0.041 -0.183) 0.387 12.702 ( -0.611 -0.856 -0.616) 1.219 12.723 ( -0.840 -1.491 -1.198) 2.089 12.776 ( -0.217 1.303 1.453) 1.964 12.853 ( 0.904 -1.176 1.830) 2.356 12.891 ( -0.287 3.061 -1.825) 3.575 13.074 ( -0.336 -1.641 -0.360) 1.714======================= Grid point 101 (40/125) =======================q-point: (-0.22 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.668 ( -1.207 -1.618 -2.103) 2.915 0.781 ( 2.894 0.364 -0.133) 2.920 0.863 ( -4.484 -1.181 0.514) 4.665 0.956 ( 7.653 -0.937 4.806) 9.086 1.077 ( 5.816 0.539 -6.384) 8.653 1.158 ( 5.092 -1.608 -1.210) 5.475 1.237 ( -3.266 -2.126 -0.385) 3.916 1.369 ( 1.928 1.250 0.307) 2.319 1.402 ( -5.679 1.804 -0.180) 5.962 1.417 ( 0.757 2.933 -0.568) 3.082 1.581 ( -2.172 0.905 0.857) 2.504 1.642 ( -1.686 1.558 0.009) 2.296 1.660 ( -2.237 -0.341 3.665) 4.308 1.722 ( -1.655 -0.895 -1.831) 2.625 1.779 ( 0.811 -4.384 -0.995) 4.568 1.951 ( 0.116 -0.317 2.251) 2.276 2.111 ( -2.482 -0.837 -2.669) 3.740 2.163 ( -2.636 0.265 -0.887) 2.794 2.278 ( -1.430 0.210 -0.618) 1.572 2.329 ( 0.802 0.265 0.382) 0.927 2.650 ( 3.550 -0.362 -0.218) 3.575 2.661 ( 3.006 -0.328 -0.112) 3.026 3.500 ( 24.941 -0.069 -0.128) 24.941 3.521 ( 23.073 0.342 0.166) 23.076 4.113 ( -18.158 -0.071 -0.177) 18.159 4.139 ( -17.607 0.299 0.129) 17.610 4.438 ( -1.529 -0.128 -0.431) 1.593 4.497 ( -0.466 1.296 0.210) 1.393 4.518 ( 0.842 -0.440 -0.058) 0.951 4.539 ( -0.918 -0.833 0.230) 1.261 4.653 ( -0.394 -0.200 -0.446) 0.628 4.680 ( 0.747 0.053 -0.212) 0.778 6.022 ( 1.637 -1.030 0.304) 1.958 6.031 ( 1.781 -1.519 -0.559) 2.407 6.088 ( -0.399 0.792 -0.488) 1.012 6.164 ( -0.540 1.459 0.475) 1.627 7.074 ( -1.323 -0.079 -0.305) 1.361 7.122 ( -1.780 0.240 0.287) 1.819 7.907 ( 1.259 -0.202 -0.186) 1.289 7.916 ( 1.725 -0.242 -0.105) 1.745 12.225 ( 0.221 -0.319 -0.261) 0.468 12.236 ( -0.069 -0.069 -0.124) 0.157 12.701 ( -0.149 -0.732 -0.457) 0.876 12.728 ( -0.986 -0.815 -0.536) 1.387 12.787 ( 0.677 1.092 1.127) 1.709 12.835 ( 0.966 -1.446 1.487) 2.288 12.906 ( -0.015 3.304 -2.191) 3.965 13.079 ( -1.296 -1.336 0.086) 1.863======================= Grid point 102 (41/125) =======================q-point: (-0.11 0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.680 ( 1.307 -0.154 0.855) 1.570 0.696 ( 7.659 -0.438 -2.008) 7.930 0.715 ( 9.674 -2.634 -1.260) 10.105 0.939 ( -3.268 -0.306 0.836) 3.387 0.988 ( 6.503 0.677 -0.190) 6.541 1.042 ( 2.366 -1.448 1.152) 3.004 1.193 ( 6.737 -0.870 -2.249) 7.155 1.326 ( 2.282 0.631 -0.572) 2.436 1.453 ( -4.531 1.851 -0.359) 4.908 1.547 ( -5.547 3.798 0.094) 6.723 1.659 ( -2.627 0.138 1.111) 2.855 1.663 ( 2.503 -2.253 -0.122) 3.370 1.704 ( -1.868 -0.185 1.075) 2.163 1.766 ( -4.049 -1.511 -0.076) 4.323 1.803 ( -7.065 -0.429 -0.152) 7.080 1.948 ( 0.635 -1.003 2.174) 2.477 2.152 ( -3.810 -1.154 -1.831) 4.382 2.227 ( -3.960 0.650 -1.001) 4.136 2.329 ( -3.589 0.427 -0.107) 3.616 2.335 ( -1.362 0.073 -0.250) 1.387 2.533 ( 7.866 -0.460 -0.191) 7.881 2.560 ( 6.807 -0.329 -0.021) 6.815 2.923 ( 33.091 -0.099 -0.143) 33.092 2.985 ( 31.121 0.684 0.254) 31.130 4.441 ( -14.557 0.000 -0.069) 14.557 4.470 ( -11.170 0.966 -0.092) 11.212 4.488 ( 0.743 0.239 0.083) 0.785 4.489 ( -4.912 -0.029 0.012) 4.912 4.494 ( -0.560 -1.032 -0.113) 1.180 4.597 ( -4.894 0.250 0.412) 4.918 4.654 ( 0.489 0.122 -0.015) 0.504 4.657 ( 1.194 -0.088 -0.457) 1.281 5.978 ( 2.284 -0.541 -0.063) 2.348 5.987 ( 1.524 -0.819 -0.087) 1.733 6.088 ( 0.692 0.263 -0.292) 0.796 6.168 ( 1.343 0.733 0.220) 1.546 7.121 ( -3.763 0.032 -0.174) 3.767 7.181 ( -3.938 0.352 0.230) 3.960 7.857 ( 4.011 -0.308 -0.067) 4.023 7.861 ( 3.416 -0.169 -0.045) 3.420 12.226 ( -0.627 -0.205 -0.097) 0.667 12.239 ( -0.391 -0.062 -0.012) 0.396 12.692 ( 0.444 -0.302 -0.156) 0.559 12.740 ( -0.781 -0.141 -0.105) 0.800 12.781 ( 1.389 0.625 0.514) 1.608 12.797 ( 1.992 -1.229 0.407) 2.376 12.939 ( -1.651 2.916 -0.777) 3.439 13.096 ( -1.388 -1.275 0.276) 1.905======================= Grid point 106 (42/125) =======================q-point: ( 0.33 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.290 ( -0.000 14.286 3.430) 14.692 0.296 ( -0.000 8.874 9.853) 13.260 0.390 ( -0.000 8.863 4.421) 9.904 0.570 ( -0.000 14.090 14.013) 19.872 0.749 ( -0.000 8.011 -7.187) 10.762 0.799 ( -0.000 4.837 -1.126) 4.967 0.958 ( -0.000 1.035 -5.554) 5.650 1.089 ( 0.000 0.427 3.131) 3.160 1.164 ( -0.000 3.447 -0.003) 3.447 1.261 ( -0.000 -0.388 -6.354) 6.365 1.637 ( 0.000 -3.310 -0.304) 3.324 1.660 ( 0.000 -5.596 -0.473) 5.615 1.754 ( 0.000 -2.628 -0.132) 2.631 1.858 ( 0.000 -0.342 -0.730) 0.807 1.905 ( 0.000 -1.014 -4.337) 4.454 1.977 ( -0.000 0.534 -2.812) 2.862 2.049 ( -0.000 0.589 0.035) 0.590 2.070 ( -0.000 0.563 -1.089) 1.226 2.205 ( -0.000 0.881 1.357) 1.618 2.263 ( -0.000 0.434 -0.705) 0.828 2.413 ( -0.000 0.278 0.609) 0.669 2.438 ( -0.000 0.694 0.975) 1.197 2.508 ( 0.000 -1.672 7.110) 7.304 2.787 ( 0.000 -3.395 -3.808) 5.101 4.409 ( 0.000 -0.878 -0.392) 0.961 4.409 ( 0.000 -1.030 -0.392) 1.102 4.547 ( -0.000 0.267 0.835) 0.877 4.627 ( -0.000 -0.169 -1.725) 1.733 4.643 ( 0.000 -0.359 1.200) 1.253 4.738 ( 0.000 -1.441 -1.659) 2.198 4.835 ( -0.000 0.510 0.289) 0.587 4.854 ( -0.000 0.178 -0.207) 0.273 5.916 ( 0.000 -2.377 1.729) 2.939 5.951 ( 0.000 -1.302 -0.296) 1.335 6.040 ( -0.000 0.825 -0.050) 0.826 6.056 ( -0.000 1.747 -1.325) 2.192 7.443 ( 0.000 -0.200 0.014) 0.201 7.446 ( 0.000 -0.235 -0.076) 0.247 7.541 ( -0.000 1.126 0.126) 1.133 7.553 ( -0.000 0.790 -0.017) 0.790 12.261 ( -0.000 -0.024 -0.450) 0.450 12.264 ( -0.000 -0.046 -0.560) 0.562 12.475 ( -0.000 1.252 0.918) 1.552 12.576 ( -0.000 2.104 -2.789) 3.494 12.714 ( -0.000 1.314 0.174) 1.326 12.803 ( -0.000 2.278 -1.607) 2.788 13.058 ( 0.000 -2.243 0.158) 2.248 13.092 ( -0.000 0.802 -1.631) 1.818======================= Grid point 107 (43/125) =======================q-point: ( 0.44 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.460 ( -6.287 6.402 5.865) 10.719 0.574 ( -7.355 4.656 7.355) 11.396 0.618 ( -6.902 5.777 5.344) 10.468 0.773 ( -2.439 7.979 -2.817) 8.807 0.902 ( -10.818 4.184 -3.517) 12.120 0.957 ( -4.349 0.897 -3.419) 5.604 1.012 ( -4.107 6.123 -1.528) 7.529 1.172 ( -6.207 -0.597 1.226) 6.355 1.279 ( -17.829 6.356 1.890) 19.022 1.354 ( -9.137 3.558 0.654) 9.827 1.593 ( -0.139 -2.391 -3.142) 3.951 1.647 ( -0.988 -2.383 -0.915) 2.737 1.718 ( -0.389 -1.938 0.304) 1.999 1.819 ( 1.909 -2.544 -5.524) 6.374 1.950 ( -5.607 -1.419 -0.673) 5.823 1.968 ( 0.505 1.414 -0.643) 1.633 2.025 ( 0.509 -1.929 -0.862) 2.174 2.073 ( -2.442 0.196 -0.232) 2.461 2.264 ( -4.403 1.135 1.121) 4.683 2.304 ( -3.963 0.648 -0.684) 4.073 2.396 ( 3.106 0.403 1.274) 3.382 2.403 ( 2.967 -0.157 1.693) 3.420 2.506 ( 2.004 -1.461 4.159) 4.842 2.602 ( 10.228 -1.170 0.023) 10.295 4.413 ( -1.425 -0.880 -0.216) 1.689 4.421 ( -1.817 -0.574 -0.623) 2.005 4.574 ( -1.709 -0.020 1.043) 2.002 4.617 ( 1.179 -0.552 -0.023) 1.302 4.639 ( -0.119 -0.117 0.051) 0.175 4.692 ( 2.482 -1.379 -1.563) 3.241 4.806 ( 3.727 -0.212 -0.421) 3.757 4.828 ( 3.505 -0.123 -0.023) 3.507 5.911 ( -1.005 -0.876 0.598) 1.460 5.960 ( -1.403 -0.564 -0.074) 1.514 6.051 ( -0.980 0.483 -0.148) 1.103 6.080 ( -1.350 0.710 0.051) 1.526 7.336 ( 6.967 -0.280 -0.005) 6.973 7.349 ( 6.037 -0.502 -0.305) 6.066 7.651 ( -6.931 0.678 -0.187) 6.967 7.673 ( -6.885 0.912 0.284) 6.951 12.252 ( 0.524 -0.081 -0.371) 0.648 12.259 ( 0.365 0.251 -0.155) 0.469 12.565 ( -5.663 -0.662 -0.686) 5.743 12.627 ( -3.892 1.160 -2.288) 4.661 12.728 ( -0.692 0.097 1.225) 1.410 12.808 ( 0.534 2.268 -1.993) 3.066 12.984 ( 3.426 -1.944 1.270) 4.139 13.127 ( -1.252 0.026 -1.686) 2.100======================= Grid point 108 (44/125) =======================q-point: ( 0.56 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.606 ( -3.485 1.385 1.900) 4.204 0.718 ( -2.865 0.938 -1.338) 3.298 0.760 ( -3.754 3.267 5.784) 7.630 0.854 ( -2.773 3.347 -0.409) 4.365 0.925 ( -0.490 2.596 -5.023) 5.675 1.044 ( -3.261 5.131 -0.633) 6.112 1.187 ( -6.000 1.049 2.965) 6.775 1.268 ( -4.584 -0.470 1.418) 4.821 1.469 ( 0.026 -2.018 1.488) 2.507 1.521 ( 2.066 -1.083 0.826) 2.474 1.608 ( -2.948 -0.883 -0.584) 3.132 1.684 ( 4.013 -0.296 -2.864) 4.939 1.764 ( -6.911 5.525 -1.231) 8.933 1.802 ( -0.945 2.335 -2.073) 3.262 1.903 ( 3.967 0.366 0.666) 4.040 1.935 ( 3.646 0.681 -2.220) 4.322 2.264 ( -7.640 -2.501 2.061) 8.299 2.308 ( -26.053 -0.816 -0.188) 26.067 2.321 ( 1.412 0.840 0.690) 1.782 2.339 ( -10.310 -0.067 -0.249) 10.314 2.369 ( 3.263 -2.750 -1.115) 4.410 2.425 ( -6.330 0.980 0.056) 6.406 2.455 ( -4.687 0.722 0.384) 4.757 2.494 ( -0.203 -1.099 2.915) 3.122 4.444 ( -2.152 -0.345 0.093) 2.181 4.455 ( -2.102 0.144 -0.595) 2.189 4.567 ( 3.143 -0.441 0.817) 3.277 4.603 ( 1.224 -0.570 -0.403) 1.409 4.619 ( 0.936 -0.874 -0.371) 1.333 4.654 ( 0.669 -0.168 0.772) 1.035 4.687 ( 7.274 -0.476 -0.780) 7.331 4.706 ( 8.919 -0.510 -0.096) 8.934 5.945 ( -2.545 0.085 -0.112) 2.548 5.997 ( -2.180 1.067 0.217) 2.437 6.074 ( -1.181 -0.580 0.146) 1.323 6.106 ( -1.002 -0.303 0.021) 1.047 7.215 ( 5.469 -0.388 0.430) 5.500 7.232 ( 5.151 -0.894 -0.677) 5.272 7.779 ( -5.828 0.739 -0.082) 5.875 7.795 ( -4.948 0.826 0.232) 5.021 12.242 ( 0.339 0.107 -0.124) 0.376 12.254 ( 0.475 0.468 0.098) 0.674 12.656 ( -4.356 -0.446 -0.104) 4.380 12.678 ( -2.236 -0.748 -1.520) 2.805 12.746 ( -0.669 -0.767 -0.062) 1.020 12.815 ( -0.354 2.930 -0.550) 3.002 12.926 ( 2.266 -0.902 1.754) 3.004 13.119 ( 0.700 -0.909 -1.042) 1.550======================= Grid point 109 (45/125) =======================q-point: ( 0.67 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.652 ( -1.735 -0.713 -1.193) 2.223 0.737 ( -1.684 -2.107 -1.782) 3.232 0.844 ( -0.862 1.519 2.895) 3.381 0.920 ( -1.765 2.602 -1.988) 3.720 0.991 ( -6.012 1.742 -0.273) 6.265 1.138 ( -3.505 0.277 0.145) 3.519 1.284 ( -2.872 0.209 3.955) 4.892 1.336 ( -2.924 -2.504 0.201) 3.855 1.437 ( 2.351 -0.406 1.663) 2.908 1.455 ( 5.093 1.941 0.312) 5.459 1.565 ( 2.724 -1.337 -3.263) 4.456 1.646 ( -0.269 -1.353 0.794) 1.591 1.733 ( 5.021 1.654 0.164) 5.289 1.820 ( 5.798 2.999 -1.696) 6.745 1.872 ( 0.922 1.481 0.154) 1.751 1.902 ( -1.247 2.157 -2.020) 3.208 2.177 ( 4.889 -3.748 1.332) 6.303 2.218 ( 4.900 -2.918 -1.482) 5.892 2.290 ( 1.717 0.289 0.260) 1.761 2.410 ( 3.136 0.935 1.652) 3.665 2.567 ( -6.815 0.469 0.378) 6.841 2.576 ( -6.541 0.531 -0.333) 6.571 2.934 ( -32.885 -0.268 0.149) 32.886 2.944 ( -32.972 -0.193 -0.160) 32.973 4.442 ( 13.982 -0.268 0.087) 13.985 4.450 ( 13.112 -0.233 -0.079) 13.114 4.476 ( 0.356 -0.009 0.140) 0.382 4.487 ( 0.963 0.306 -0.481) 1.119 4.525 ( 2.203 -0.445 0.921) 2.429 4.555 ( 2.362 -0.533 -0.972) 2.609 4.630 ( -1.206 -1.026 -0.244) 1.602 4.680 ( -0.718 -0.070 0.368) 0.810 5.998 ( -2.693 0.634 -0.318) 2.785 6.053 ( -1.817 1.919 0.129) 2.645 6.085 ( -0.932 -1.202 0.493) 1.599 6.109 ( 0.118 -1.021 -0.268) 1.062 7.126 ( 3.698 -0.502 0.250) 3.740 7.146 ( 2.895 -0.545 -0.347) 2.966 7.874 ( -3.013 0.380 0.026) 3.037 7.876 ( -3.601 0.484 -0.055) 3.634 12.238 ( 0.201 0.222 -0.044) 0.303 12.248 ( 0.603 0.337 0.045) 0.692 12.692 ( -1.065 -1.036 -0.438) 1.549 12.712 ( -1.592 -1.468 -0.666) 2.265 12.756 ( -1.435 0.166 0.294) 1.474 12.851 ( -0.274 3.804 -0.602) 3.861 12.892 ( 1.287 -1.290 1.482) 2.349 13.089 ( 0.656 -1.681 -0.573) 1.893======================= Grid point 110 (46/125) =======================q-point: ( 0.78 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.656 ( -0.870 -2.343 -1.426) 2.877 0.769 ( -3.793 -1.515 -0.089) 4.085 0.844 ( 1.406 -0.132 0.282) 1.440 0.990 ( -2.337 3.187 0.941) 4.062 1.100 ( -4.751 -2.059 -1.006) 5.275 1.185 ( -2.925 -2.902 -0.149) 4.123 1.300 ( 9.381 -0.328 -0.994) 9.440 1.339 ( -0.106 1.475 0.718) 1.644 1.373 ( -2.495 0.483 0.244) 2.553 1.404 ( 2.309 1.357 1.303) 2.979 1.552 ( -2.094 -1.327 -0.928) 2.647 1.632 ( 1.385 0.658 0.139) 1.539 1.679 ( 2.317 1.509 2.908) 4.013 1.727 ( 4.392 2.231 -2.893) 5.713 1.832 ( 1.691 -2.926 -0.520) 3.419 1.943 ( -0.914 1.930 0.339) 2.162 2.092 ( 0.901 -2.032 -0.865) 2.385 2.145 ( 0.287 -2.520 -0.094) 2.538 2.269 ( 0.661 0.196 -0.147) 0.705 2.363 ( 2.723 0.632 0.548) 2.849 2.662 ( -2.468 -0.036 -0.008) 2.469 2.667 ( -2.468 0.021 -0.090) 2.470 3.504 ( -24.695 -0.081 0.011) 24.695 3.508 ( -24.148 -0.026 -0.022) 24.148 4.112 ( 18.058 -0.321 -0.056) 18.061 4.133 ( 16.982 0.135 0.034) 16.982 4.439 ( 1.468 -0.450 -0.118) 1.540 4.484 ( 0.445 0.902 0.104) 1.012 4.526 ( -0.261 -0.118 -0.003) 0.286 4.538 ( -0.267 -0.538 -0.107) 0.610 4.643 ( -0.910 -0.731 -0.210) 1.186 4.687 ( 0.042 -0.064 0.065) 0.101 6.044 ( -1.385 0.107 -0.018) 1.389 6.058 ( 0.660 -1.127 -0.318) 1.344 6.084 ( 1.092 -0.520 0.089) 1.213 6.128 ( -2.016 1.532 0.177) 2.539 7.074 ( 1.279 -0.369 -0.064) 1.333 7.110 ( 0.544 -0.063 0.034) 0.549 7.911 ( -0.867 -0.063 -0.082) 0.873 7.923 ( -1.029 0.065 -0.026) 1.031 12.236 ( 0.569 -0.056 -0.036) 0.573 12.236 ( 0.221 0.024 -0.086) 0.239 12.698 ( -0.667 -1.069 -0.222) 1.279 12.716 ( -0.924 -1.414 -0.406) 1.737 12.787 ( -0.357 1.247 0.669) 1.459 12.866 ( 0.764 -0.520 1.124) 1.455 12.876 ( 0.243 2.350 -1.288) 2.690 13.072 ( -0.510 -1.673 -0.159) 1.756======================= Grid point 111 (47/125) =======================q-point: (-0.11 0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.658 ( -1.725 -1.875 -0.000) 2.547 0.781 ( 3.302 0.273 -0.000) 3.314 0.865 ( -4.828 -1.209 -0.000) 4.978 0.994 ( 12.526 -2.786 -0.000) 12.832 1.031 ( 0.659 2.126 0.000) 2.226 1.152 ( 5.196 -1.541 -0.000) 5.419 1.235 ( -3.037 -2.136 -0.000) 3.713 1.371 ( 2.402 0.838 0.000) 2.544 1.401 ( -5.907 1.624 0.000) 6.127 1.414 ( 1.610 3.329 0.000) 3.698 1.586 ( -2.801 1.240 0.000) 3.063 1.641 ( -1.797 1.723 0.000) 2.490 1.687 ( -0.387 0.412 0.000) 0.565 1.702 ( -3.506 -1.553 -0.000) 3.835 1.775 ( 0.635 -4.823 -0.000) 4.864 1.962 ( -0.152 -0.029 -0.000) 0.155 2.098 ( -2.486 -1.205 -0.000) 2.763 2.158 ( -2.547 -0.206 0.000) 2.555 2.275 ( -1.351 0.383 0.000) 1.404 2.331 ( 0.990 0.329 0.000) 1.043 2.649 ( 3.572 -0.391 -0.000) 3.593 2.660 ( 2.989 -0.349 -0.000) 3.009 3.499 ( 24.982 -0.082 -0.000) 24.982 3.522 ( 22.998 0.358 -0.000) 23.001 4.112 ( -18.173 -0.094 0.000) 18.174 4.140 ( -17.588 0.318 0.000) 17.591 4.436 ( -1.532 -0.185 0.000) 1.543 4.498 ( -0.369 1.303 0.000) 1.355 4.518 ( 0.832 -0.453 -0.000) 0.948 4.540 ( -1.092 -0.803 -0.000) 1.355 4.651 ( -0.447 -0.306 -0.000) 0.542 4.679 ( 0.832 0.058 -0.000) 0.834 6.025 ( 1.452 -1.336 -0.000) 1.973 6.027 ( 1.931 -1.248 -0.000) 2.299 6.086 ( -0.354 0.760 0.000) 0.838 6.167 ( -0.536 1.483 0.000) 1.577 7.073 ( -1.311 -0.113 0.000) 1.316 7.123 ( -1.812 0.266 0.000) 1.831 7.906 ( 1.234 -0.237 -0.000) 1.256 7.915 ( 1.731 -0.259 -0.000) 1.750 12.224 ( 0.216 -0.360 -0.000) 0.420 12.235 ( -0.090 -0.093 -0.000) 0.129 12.699 ( -0.195 -0.815 -0.000) 0.838 12.725 ( -1.037 -0.786 -0.000) 1.301 12.792 ( 0.674 0.971 0.000) 1.182 12.843 ( 1.108 -1.618 -0.000) 1.960 12.895 ( -0.090 3.520 0.000) 3.522 13.079 ( -1.385 -1.311 -0.000) 1.907======================= Grid point 114 (48/125) =======================q-point: ( 0.22 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.535 ( 8.626 -0.000 10.987) 13.969 0.608 ( 7.515 -0.000 2.394) 7.887 0.652 ( 8.007 -0.000 5.118) 9.502 0.860 ( 8.585 0.000 -6.897) 11.012 0.927 ( -1.914 0.000 -1.983) 2.756 0.945 ( -0.532 0.000 -4.270) 4.303 1.144 ( 7.916 -0.000 6.200) 10.055 1.298 ( 1.861 0.000 -1.091) 2.157 1.490 ( 11.668 -0.000 1.600) 11.777 1.581 ( -3.198 -0.000 2.119) 3.837 1.594 ( 10.606 -0.000 -1.661) 10.736 1.653 ( -2.200 0.000 -0.520) 2.260 1.704 ( -1.965 0.000 -3.028) 3.610 1.825 ( -2.296 0.000 -6.426) 6.824 1.884 ( -2.602 0.000 -0.818) 2.728 1.932 ( -6.157 0.000 -0.855) 6.216 2.270 ( -2.962 -0.000 2.735) 4.032 2.309 ( 6.922 -0.000 0.270) 6.928 2.328 ( 20.637 -0.000 -0.287) 20.639 2.342 ( 3.050 0.000 -1.420) 3.364 2.382 ( 7.066 -0.000 1.137) 7.157 2.423 ( 6.186 -0.000 -0.192) 6.189 2.441 ( -1.082 -0.000 2.994) 3.184 2.484 ( 8.594 -0.000 3.035) 9.114 4.454 ( 1.704 -0.000 -0.181) 1.713 4.454 ( 1.750 -0.000 -0.223) 1.764 4.567 ( -3.564 0.000 0.935) 3.685 4.614 ( 0.257 0.000 -0.095) 0.274 4.639 ( -3.747 0.000 0.038) 3.747 4.652 ( 0.071 -0.000 -0.012) 0.072 4.712 ( -7.452 0.000 -0.662) 7.481 4.712 ( -8.992 0.000 -0.541) 9.009 5.942 ( 1.660 -0.000 0.688) 1.797 5.959 ( 0.967 -0.000 -0.071) 0.969 6.078 ( 1.360 -0.000 1.012) 1.695 6.124 ( 2.763 -0.000 -0.516) 2.811 7.218 ( -5.692 0.000 0.462) 5.711 7.262 ( -5.130 0.000 -1.078) 5.242 7.766 ( 5.508 -0.000 0.089) 5.509 7.774 ( 5.598 -0.000 -0.131) 5.600 12.242 ( -0.879 0.000 -0.108) 0.886 12.246 ( -0.470 0.000 -0.251) 0.532 12.669 ( 2.654 -0.000 -0.555) 2.711 12.727 ( 2.597 -0.000 1.071) 2.809 12.731 ( 1.943 0.000 -2.357) 3.054 12.770 ( -0.500 0.000 -1.083) 1.193 13.009 ( -2.387 -0.000 1.078) 2.619 13.092 ( -0.328 0.000 -1.869) 1.897======================= Grid point 116 (49/125) =======================q-point: ( 0.44 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.326 ( -0.000 13.382 4.159) 14.013 0.367 ( -0.000 12.424 4.915) 13.361 0.442 ( -0.000 5.450 7.119) 8.965 0.677 ( -0.000 7.614 -8.407) 11.342 0.695 ( -0.000 5.470 11.714) 12.929 0.814 ( -0.000 8.583 6.033) 10.491 0.900 ( -0.000 0.796 -6.964) 7.009 1.111 ( -0.000 0.693 0.853) 1.099 1.164 ( -0.000 3.256 -0.093) 3.257 1.188 ( -0.000 2.544 -8.929) 9.284 1.634 ( 0.000 -3.293 -0.102) 3.295 1.652 ( 0.000 -5.649 -1.073) 5.750 1.757 ( 0.000 -2.977 0.855) 3.097 1.830 ( 0.000 -2.842 -4.508) 5.329 1.893 ( -0.000 1.589 0.928) 1.840 1.951 ( -0.000 1.116 -2.662) 2.886 2.050 ( -0.000 0.357 0.244) 0.432 2.062 ( -0.000 0.215 -0.708) 0.740 2.219 ( -0.000 0.853 1.541) 1.761 2.255 ( -0.000 0.554 -1.009) 1.151 2.420 ( -0.000 0.678 0.852) 1.089 2.441 ( -0.000 1.524 -0.225) 1.541 2.574 ( 0.000 -2.218 7.321) 7.650 2.747 ( 0.000 -3.547 -4.892) 6.043 4.405 ( 0.000 -0.847 -0.342) 0.913 4.406 ( 0.000 -0.955 -0.352) 1.018 4.557 ( -0.000 0.323 1.342) 1.380 4.610 ( -0.000 0.047 -2.117) 2.118 4.658 ( 0.000 -0.717 1.898) 2.029 4.720 ( 0.000 -1.322 -2.176) 2.546 4.838 ( -0.000 0.541 0.402) 0.674 4.851 ( -0.000 0.403 -0.426) 0.586 5.929 ( 0.000 -2.226 1.128) 2.495 5.948 ( 0.000 -1.426 -0.425) 1.488 6.039 ( -0.000 0.952 -0.007) 0.952 6.047 ( -0.000 1.633 -0.744) 1.795 7.443 ( 0.000 -0.200 0.033) 0.202 7.445 ( 0.000 -0.223 -0.087) 0.239 7.543 ( -0.000 1.207 0.225) 1.228 7.552 ( -0.000 1.122 -0.289) 1.158 12.257 ( -0.000 0.108 -0.373) 0.388 12.259 ( -0.000 0.087 -0.507) 0.514 12.486 ( -0.000 1.410 1.452) 2.024 12.549 ( -0.000 2.101 -3.022) 3.680 12.724 ( -0.000 1.105 1.816) 2.126 12.786 ( -0.000 1.875 -2.126) 2.834 13.061 ( 0.000 -1.660 0.326) 1.692 13.080 ( -0.000 0.215 -1.135) 1.155======================= Grid point 117 (50/125) =======================q-point: ( 0.56 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.514 ( -6.159 5.570 5.760) 10.106 0.616 ( -5.867 3.646 -0.064) 6.908 0.668 ( -6.750 4.418 6.781) 10.538 0.763 ( -4.301 6.195 0.192) 7.544 0.858 ( -3.691 2.595 -5.243) 6.917 0.927 ( -7.146 1.478 -3.153) 7.950 1.016 ( -6.378 7.664 1.757) 10.125 1.175 ( -4.689 0.850 -0.413) 4.784 1.288 ( -19.481 8.537 0.394) 21.273 1.362 ( -12.125 4.610 0.819) 12.998 1.569 ( 1.099 -3.882 -1.860) 4.443 1.639 ( -0.423 -2.512 -0.868) 2.691 1.725 ( 0.318 -1.723 1.167) 2.105 1.773 ( 1.074 -2.016 -4.269) 4.842 1.947 ( -2.742 -0.866 -0.121) 2.879 1.963 ( -1.899 1.554 -0.459) 2.496 2.020 ( 0.636 -2.003 -0.412) 2.141 2.071 ( -2.520 0.063 -0.093) 2.522 2.274 ( -3.930 0.957 1.001) 4.167 2.298 ( -4.267 0.930 -0.740) 4.430 2.406 ( 2.699 0.906 0.956) 3.003 2.414 ( 3.062 0.518 0.590) 3.160 2.539 ( 4.700 -2.485 2.961) 6.085 2.599 ( 7.062 -2.502 -0.650) 7.520 4.412 ( -1.526 -0.776 -0.067) 1.713 4.416 ( -1.743 -0.614 -0.464) 1.906 4.585 ( -1.542 -0.114 1.300) 2.020 4.612 ( -0.356 -0.421 -1.016) 1.156 4.645 ( 1.101 -0.325 1.232) 1.684 4.676 ( 2.169 -1.101 -1.844) 3.053 4.803 ( 3.954 -0.087 -0.183) 3.959 4.827 ( 3.548 0.110 -0.063) 3.550 5.915 ( -0.732 -1.057 0.336) 1.329 5.960 ( -1.521 -0.533 -0.050) 1.613 6.050 ( -1.121 0.374 -0.083) 1.184 6.080 ( -1.554 0.695 0.025) 1.703 7.336 ( 6.815 -0.321 -0.000) 6.822 7.346 ( 6.354 -0.293 -0.177) 6.363 7.650 ( -6.873 0.746 -0.065) 6.913 7.675 ( -6.944 1.142 0.103) 7.038 12.249 ( 0.480 0.020 -0.227) 0.532 12.258 ( 0.276 0.423 -0.117) 0.518 12.561 ( -5.009 0.136 -0.251) 5.018 12.608 ( -4.298 1.140 -1.626) 4.734 12.743 ( -0.331 0.309 1.814) 1.870 12.789 ( 0.015 1.866 -2.040) 2.765 12.993 ( 3.217 -1.393 0.750) 3.585 13.114 ( -1.273 0.144 -1.007) 1.630======================= Grid point 118 (51/125) =======================q-point: ( 0.67 0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.625 ( -1.453 -0.266 1.771) 2.306 0.697 ( -3.583 0.264 -2.197) 4.211 0.815 ( -2.696 3.157 5.762) 7.102 0.855 ( -1.655 3.130 -0.340) 3.557 0.879 ( -2.443 3.099 -4.484) 5.973 1.039 ( -4.182 5.326 -0.294) 6.778 1.206 ( -6.415 1.822 1.039) 6.749 1.278 ( -5.062 -0.417 0.615) 5.117 1.484 ( 1.006 -2.547 1.510) 3.127 1.518 ( 1.345 -0.885 -1.087) 1.943 1.619 ( -0.821 -0.531 2.822) 2.986 1.652 ( 2.286 -0.712 -3.890) 4.567 1.755 ( -9.485 6.567 -0.655) 11.555 1.790 ( 1.160 2.918 -0.555) 3.189 1.909 ( 4.283 0.211 0.474) 4.315 1.921 ( 3.982 0.566 -0.959) 4.134 2.279 ( -12.026 -2.121 1.036) 12.255 2.306 ( -24.194 -0.561 -0.202) 24.202 2.325 ( -2.694 0.647 0.207) 2.779 2.340 ( -5.371 0.125 0.390) 5.386 2.358 ( 5.597 -4.341 -0.987) 7.152 2.426 ( -7.565 1.293 0.115) 7.675 2.457 ( -4.913 0.830 0.097) 4.983 2.513 ( 0.685 -1.188 1.050) 1.727 4.446 ( -2.202 -0.305 0.223) 2.234 4.451 ( -2.127 0.127 -0.422) 2.172 4.573 ( 3.341 -0.672 0.487) 3.442 4.599 ( 2.239 -0.441 -0.353) 2.309 4.617 ( -0.403 -0.970 -0.111) 1.056 4.660 ( -0.595 0.016 0.495) 0.774 4.681 ( 8.426 -0.473 -0.492) 8.454 4.705 ( 9.025 -0.456 -0.047) 9.037 5.944 ( -2.443 -0.043 -0.040) 2.444 5.998 ( -2.238 1.125 0.078) 2.506 6.074 ( -1.400 -0.851 0.059) 1.640 6.106 ( -0.824 -0.115 0.008) 0.832 7.219 ( 5.167 -0.525 0.491) 5.217 7.226 ( 5.436 -0.696 -0.587) 5.512 7.779 ( -5.854 0.738 -0.023) 5.901 7.796 ( -4.880 0.849 0.081) 4.954 12.241 ( 0.295 0.125 -0.042) 0.323 12.254 ( 0.463 0.542 0.032) 0.714 12.656 ( -4.663 -0.425 -0.016) 4.683 12.668 ( -2.316 -0.604 -0.609) 2.470 12.746 ( -0.085 -1.028 -0.027) 1.032 12.812 ( -0.732 3.174 -0.165) 3.261 12.938 ( 2.172 -0.740 0.663) 2.388 13.112 ( 0.599 -0.856 -0.437) 1.132======================= Grid point 119 (52/125) =======================q-point: (-0.22 -0.67 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.647 ( -1.431 -1.167 -0.000) 1.847 0.729 ( -2.006 -2.200 -0.000) 2.978 0.861 ( 0.527 1.279 0.000) 1.383 0.907 ( -2.870 2.820 0.000) 4.024 0.989 ( -6.197 1.562 0.000) 6.391 1.139 ( -3.538 0.113 0.000) 3.539 1.306 ( -2.759 1.601 0.000) 3.190 1.334 ( -2.721 -3.688 -0.000) 4.583 1.445 ( 3.775 0.854 0.000) 3.870 1.459 ( 3.584 0.592 0.000) 3.633 1.547 ( 2.641 -1.263 -0.000) 2.928 1.650 ( -0.384 -1.338 -0.000) 1.392 1.735 ( 4.501 1.730 0.000) 4.822 1.811 ( 6.487 3.288 0.000) 7.272 1.873 ( 1.827 0.290 0.000) 1.850 1.892 ( -2.365 3.325 0.000) 4.081 2.186 ( 6.185 -4.068 -0.000) 7.403 2.208 ( 3.633 -3.256 -0.000) 4.878 2.291 ( 1.868 0.440 0.000) 1.919 2.418 ( 3.248 0.939 0.000) 3.381 2.569 ( -6.682 0.280 0.000) 6.688 2.574 ( -6.648 0.637 0.000) 6.679 2.935 ( -32.866 -0.446 0.000) 32.869 2.943 ( -32.968 0.019 0.000) 32.968 4.443 ( 13.804 -0.347 -0.000) 13.809 4.449 ( 13.441 -0.181 -0.000) 13.443 4.477 ( 0.611 0.063 -0.000) 0.614 4.485 ( 0.273 0.207 0.000) 0.342 4.531 ( 2.975 -0.651 -0.000) 3.046 4.550 ( 1.840 -0.280 -0.000) 1.862 4.629 ( -1.189 -1.119 -0.000) 1.633 4.682 ( -0.718 -0.094 0.000) 0.724 5.997 ( -2.682 0.572 0.000) 2.742 6.054 ( -1.711 1.857 0.000) 2.525 6.088 ( -1.290 -1.411 -0.000) 1.912 6.107 ( 0.376 -0.752 -0.000) 0.841 7.127 ( 3.796 -0.643 -0.000) 3.850 7.144 ( 2.782 -0.404 -0.000) 2.811 7.874 ( -2.867 0.347 0.000) 2.888 7.876 ( -3.723 0.466 0.000) 3.752 12.238 ( 0.194 0.189 0.000) 0.271 12.248 ( 0.630 0.329 0.000) 0.711 12.690 ( -1.143 -1.134 -0.000) 1.610 12.709 ( -1.422 -1.516 -0.000) 2.079 12.758 ( -1.802 0.227 0.000) 1.816 12.848 ( 0.034 3.891 0.000) 3.891 12.900 ( 1.256 -1.324 -0.000) 1.825 13.087 ( 0.586 -1.708 -0.000) 1.805======================= Grid point 124 (53/125) =======================q-point: ( 0.22 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.682 ( 2.100 0.831 1.025) 2.479 0.739 ( 6.573 -1.109 1.245) 6.781 0.767 ( 3.161 -1.176 3.901) 5.156 0.905 ( -1.517 -0.062 -2.531) 2.952 0.987 ( 8.587 1.658 -0.315) 8.751 1.025 ( 8.235 -3.168 0.173) 8.825 1.276 ( 2.791 -0.400 5.433) 6.121 1.351 ( 3.003 0.452 1.720) 3.490 1.471 ( -4.075 1.857 1.427) 4.700 1.539 ( -5.421 4.169 -0.931) 6.902 1.612 ( -2.384 -0.224 -3.407) 4.164 1.653 ( -1.299 -3.517 -2.067) 4.282 1.680 ( -0.116 0.453 0.344) 0.580 1.758 ( -3.823 -1.380 -1.415) 4.304 1.809 ( -4.735 -0.259 0.544) 4.773 1.876 ( 1.601 -1.178 -3.960) 4.431 2.213 ( -3.521 -0.437 3.489) 4.976 2.261 ( -3.940 1.056 1.569) 4.370 2.329 ( -2.619 1.516 0.068) 3.027 2.354 ( -3.447 -1.280 1.544) 3.988 2.542 ( 7.653 -0.388 0.700) 7.694 2.560 ( 6.970 -0.323 -0.106) 6.979 2.931 ( 32.868 0.001 0.750) 32.876 2.973 ( 31.469 0.521 -1.081) 31.492 4.445 ( -14.306 0.041 0.361) 14.311 4.467 ( -13.660 0.461 -0.575) 13.680 4.487 ( 0.801 0.230 0.002) 0.834 4.488 ( 0.909 0.194 -0.074) 0.933 4.507 ( -3.520 -0.605 1.447) 3.854 4.577 ( -4.707 0.071 -1.656) 4.990 4.660 ( 0.908 0.721 0.467) 1.250 4.669 ( 0.761 -0.450 0.714) 1.136 5.980 ( 2.034 -0.047 0.145) 2.040 5.991 ( 1.739 -1.192 0.250) 2.123 6.103 ( 0.718 0.354 1.294) 1.521 6.156 ( 1.164 0.653 -1.052) 1.699 7.131 ( -3.695 0.102 0.797) 3.781 7.169 ( -3.767 0.278 -0.956) 3.897 7.860 ( 4.032 -0.247 0.209) 4.045 7.862 ( 3.617 -0.166 0.115) 3.622 12.230 ( -0.358 -0.126 0.346) 0.513 12.239 ( -0.216 -0.080 -0.029) 0.232 12.701 ( 0.877 -0.122 0.854) 1.230 12.745 ( 0.227 0.098 0.278) 0.372 12.759 ( 0.490 0.472 -1.534) 1.678 12.779 ( 1.609 -1.189 -1.197) 2.331 12.972 ( -0.671 3.119 2.374) 3.977 13.082 ( -0.902 -1.756 -1.210) 2.315======================= Grid point 125 (54/125) =======================q-point: ( 0.33 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.632 ( 4.152 -0.000 9.195) 10.089 0.633 ( 6.799 -0.000 2.992) 7.429 0.706 ( 6.232 -0.000 6.604) 9.080 0.808 ( 10.031 0.000 -4.013) 10.804 0.899 ( 0.621 0.000 -5.687) 5.721 0.902 ( 0.102 0.000 -3.543) 3.544 1.194 ( 8.649 -0.000 4.810) 9.896 1.285 ( 4.180 0.000 -1.910) 4.596 1.507 ( 9.026 -0.000 2.164) 9.282 1.576 ( 9.019 -0.000 -2.293) 9.306 1.606 ( -1.198 -0.000 3.184) 3.402 1.649 ( -1.571 0.000 -0.355) 1.610 1.678 ( -2.347 0.000 -2.570) 3.480 1.757 ( -0.890 0.000 -7.699) 7.750 1.887 ( -3.954 0.000 1.004) 4.080 1.922 ( -5.697 0.000 -1.192) 5.821 2.291 ( 0.467 -0.000 1.869) 1.926 2.311 ( 15.128 -0.000 0.249) 15.130 2.326 ( 17.344 -0.000 -0.295) 17.346 2.331 ( -0.386 0.000 -1.048) 1.116 2.393 ( 6.946 -0.000 1.251) 7.058 2.419 ( 6.768 -0.000 -0.530) 6.789 2.470 ( -1.384 -0.000 3.275) 3.555 2.506 ( 3.186 -0.000 1.483) 3.514 4.452 ( 1.813 -0.000 -0.179) 1.822 4.452 ( 1.810 -0.000 -0.177) 1.818 4.577 ( -3.636 -0.000 1.295) 3.859 4.611 ( -2.412 0.000 -0.701) 2.511 4.641 ( -0.485 -0.000 0.426) 0.646 4.652 ( 0.409 -0.000 -0.108) 0.423 4.706 ( -7.976 0.000 -0.605) 7.999 4.707 ( -8.617 0.000 -0.598) 8.638 5.948 ( 1.436 -0.000 0.633) 1.569 5.958 ( 1.050 -0.000 -0.155) 1.061 6.088 ( 1.516 -0.000 1.219) 1.946 6.118 ( 2.492 0.000 -0.778) 2.610 7.223 ( -5.505 0.000 0.704) 5.550 7.251 ( -5.067 0.000 -1.217) 5.211 7.767 ( 5.649 -0.000 0.144) 5.651 7.772 ( 5.685 -0.000 -0.176) 5.688 12.241 ( -0.637 0.000 -0.062) 0.640 12.244 ( -0.368 0.000 -0.254) 0.447 12.667 ( 3.448 -0.000 0.067) 3.449 12.707 ( 3.336 0.000 -2.681) 4.280 12.737 ( 1.582 -0.000 1.020) 1.882 12.761 ( -0.426 0.000 -0.857) 0.957 13.021 ( -1.706 -0.000 1.514) 2.281 13.073 ( -0.240 0.000 -2.084) 2.098======================= Grid point 127 (55/125) =======================q-point: ( 0.56 0.44 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.362 ( -0.000 12.801 3.573) 13.290 0.384 ( -0.000 12.820 -0.736) 12.841 0.516 ( 0.000 6.092 8.740) 10.654 0.598 ( 0.000 7.125 -8.892) 11.395 0.772 ( -0.000 0.297 6.608) 6.615 0.834 ( 0.000 0.437 -7.204) 7.217 0.919 ( 0.000 9.042 14.813) 17.355 1.052 ( 0.000 4.503 -13.159) 13.909 1.152 ( -0.000 2.815 0.635) 2.886 1.160 ( -0.000 2.829 -0.732) 2.922 1.636 ( -0.000 -3.785 0.434) 3.810 1.642 ( -0.000 -4.731 -0.967) 4.828 1.769 ( -0.000 -3.098 1.892) 3.630 1.793 ( -0.000 -3.038 -3.300) 4.486 1.907 ( -0.000 1.529 2.036) 2.546 1.928 ( -0.000 1.361 -2.442) 2.795 2.053 ( -0.000 0.188 0.351) 0.398 2.057 ( -0.000 0.124 -0.484) 0.500 2.232 ( -0.000 0.785 1.470) 1.666 2.245 ( -0.000 0.679 -1.269) 1.439 2.428 ( 0.000 1.162 0.943) 1.496 2.436 ( 0.000 1.552 -0.783) 1.738 2.639 ( -0.000 -2.768 6.782) 7.326 2.698 ( -0.000 -3.263 -5.919) 6.759 4.403 ( -0.000 -0.850 -0.125) 0.859 4.403 ( -0.000 -0.888 -0.149) 0.901 4.572 ( -0.000 0.320 1.817) 1.845 4.590 ( -0.000 0.226 -2.122) 2.134 4.677 ( 0.000 -0.974 2.300) 2.497 4.699 ( 0.000 -1.167 -2.395) 2.664 4.842 ( -0.000 0.554 0.483) 0.735 4.847 ( -0.000 0.520 -0.504) 0.724 5.938 ( -0.000 -1.898 0.766) 2.046 5.944 ( -0.000 -1.621 -0.563) 1.716 6.040 ( -0.000 1.131 0.115) 1.137 6.042 ( -0.000 1.367 -0.348) 1.411 7.444 ( 0.000 -0.203 0.058) 0.211 7.444 ( 0.000 -0.211 -0.079) 0.225 7.545 ( 0.000 1.269 0.323) 1.309 7.549 ( 0.000 1.262 -0.367) 1.314 12.255 ( 0.000 0.190 -0.099) 0.215 12.255 ( 0.000 0.182 -0.248) 0.307 12.502 ( 0.000 1.613 2.030) 2.593 12.523 ( 0.000 1.857 -2.600) 3.195 12.744 ( -0.000 1.169 2.337) 2.613 12.765 ( -0.000 1.468 -2.382) 2.798 13.065 ( 0.000 -1.024 0.555) 1.165 13.071 ( -0.000 -0.400 -0.821) 0.913======================= Grid point 128 (56/125) =======================q-point: (-0.33 -0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.551 ( -7.758 6.078 0.000) 9.856 0.601 ( -2.304 2.873 0.000) 3.683 0.715 ( -8.532 4.776 0.000) 9.778 0.758 ( -6.074 4.539 0.000) 7.583 0.830 ( -1.379 1.350 0.000) 1.930 0.910 ( -6.977 2.260 0.000) 7.334 1.028 ( -5.645 7.480 0.000) 9.372 1.171 ( -4.796 2.236 0.000) 5.292 1.289 ( -20.667 9.333 0.000) 22.677 1.366 ( -13.187 5.048 0.000) 14.120 1.561 ( 1.726 -4.513 -0.000) 4.832 1.634 ( -0.061 -2.616 -0.000) 2.617 1.737 ( 3.000 -1.894 -0.000) 3.548 1.746 ( -1.623 -1.701 -0.000) 2.351 1.946 ( -1.335 -0.650 -0.000) 1.485 1.961 ( -3.148 1.580 0.000) 3.522 2.018 ( 0.614 -2.066 -0.000) 2.155 2.071 ( -2.503 0.046 0.000) 2.503 2.280 ( -3.393 0.726 0.000) 3.470 2.293 ( -4.738 1.192 0.000) 4.886 2.412 ( 3.533 1.365 0.000) 3.787 2.415 ( 2.031 0.605 0.000) 2.119 2.555 ( 7.212 -3.472 -0.000) 8.004 2.594 ( 4.412 -2.386 -0.000) 5.016 4.413 ( -1.628 -0.492 -0.000) 1.701 4.413 ( -1.649 -0.877 -0.000) 1.868 4.594 ( -1.244 -0.390 -0.000) 1.304 4.604 ( -1.119 -0.021 0.000) 1.119 4.659 ( 2.091 -0.898 -0.000) 2.276 4.660 ( 1.474 -0.600 -0.000) 1.591 4.802 ( 4.050 -0.046 -0.000) 4.050 4.827 ( 3.554 0.191 -0.000) 3.559 5.917 ( -0.635 -1.113 -0.000) 1.281 5.960 ( -1.570 -0.520 -0.000) 1.654 6.049 ( -1.171 0.333 0.000) 1.218 6.080 ( -1.628 0.691 0.000) 1.769 7.336 ( 6.743 -0.341 -0.000) 6.752 7.346 ( 6.488 -0.215 -0.000) 6.491 7.649 ( -6.849 0.769 0.000) 6.892 7.676 ( -6.974 1.229 0.000) 7.081 12.248 ( 0.461 0.062 -0.000) 0.465 12.257 ( 0.242 0.489 0.000) 0.545 12.560 ( -4.627 0.467 0.000) 4.650 12.600 ( -4.567 1.080 0.000) 4.693 12.755 ( 0.335 0.111 0.000) 0.353 12.776 ( -0.699 1.969 0.000) 2.090 12.997 ( 3.147 -1.174 -0.000) 3.359 13.109 ( -1.265 0.147 0.000) 1.273======================= Grid point 134 (57/125) =======================q-point: ( 0.22 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.724 ( 2.088 0.767 3.081) 3.800 0.788 ( 0.345 0.833 0.671) 1.124 0.842 ( 0.060 -1.052 -1.314) 1.685 0.895 ( 2.444 -1.958 -2.183) 3.818 1.160 ( 8.436 1.332 2.451) 8.885 1.193 ( 6.371 -0.656 1.124) 6.503 1.266 ( -5.796 -1.997 3.177) 6.905 1.361 ( -1.977 0.708 -0.754) 2.232 1.407 ( -4.501 2.337 0.261) 5.078 1.419 ( -1.833 3.010 -0.220) 3.531 1.576 ( -0.951 -0.419 -0.481) 1.145 1.618 ( -1.329 -0.461 0.102) 1.410 1.630 ( -0.878 0.921 -0.373) 1.326 1.714 ( 0.019 -1.502 -2.298) 2.745 1.816 ( 1.171 -2.206 2.578) 3.589 1.896 ( 1.129 -1.118 -3.243) 3.611 2.175 ( -2.185 0.297 3.048) 3.762 2.184 ( -2.669 2.459 1.518) 3.934 2.284 ( -0.924 0.483 -0.603) 1.205 2.324 ( -1.344 -1.027 0.246) 1.709 2.657 ( 3.388 -0.201 0.381) 3.415 2.663 ( 3.142 -0.223 0.039) 3.151 3.504 ( 24.604 0.025 0.347) 24.606 3.516 ( 23.598 0.230 -0.399) 23.602 4.119 ( -18.053 0.100 0.437) 18.058 4.135 ( -17.713 0.153 -0.389) 17.718 4.453 ( -1.564 0.330 1.139) 1.963 4.487 ( -1.084 1.020 -0.855) 1.717 4.520 ( 0.877 -0.378 0.089) 0.959 4.533 ( 0.150 -0.879 -0.268) 0.931 4.665 ( 0.009 0.456 0.641) 0.787 4.685 ( 0.191 -0.070 0.223) 0.302 6.019 ( 1.736 -0.573 -0.032) 1.829 6.039 ( 1.791 -1.709 0.289) 2.493 6.106 ( -0.558 0.937 1.401) 1.775 6.148 ( -0.563 1.280 -1.296) 1.907 7.084 ( -1.448 0.211 0.675) 1.611 7.113 ( -1.550 -0.003 -0.650) 1.681 7.912 ( 1.419 0.016 0.270) 1.445 7.918 ( 1.670 -0.176 0.121) 1.684 12.233 ( 0.237 -0.074 0.432) 0.498 12.238 ( 0.054 0.041 0.087) 0.111 12.716 ( 0.087 -0.153 1.139) 1.152 12.746 ( -0.608 -1.105 1.260) 1.783 12.759 ( 0.722 1.238 -1.427) 2.022 12.800 ( 0.551 -1.317 -2.093) 2.534 12.951 ( -0.117 3.613 2.119) 4.190 13.075 ( -0.776 -1.628 -0.343) 1.836======================= Grid point 135 (58/125) =======================q-point: ( 0.33 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.694 ( 2.469 1.443 1.436) 3.200 0.740 ( 3.875 -1.195 -0.704) 4.116 0.805 ( 1.631 -0.696 4.300) 4.652 0.878 ( -0.365 -0.328 -3.289) 3.326 0.987 ( 10.566 1.794 0.244) 10.720 1.028 ( 9.171 -3.334 0.411) 9.767 1.323 ( 2.631 0.004 4.550) 5.256 1.364 ( 3.065 0.078 0.736) 3.153 1.485 ( -4.228 2.142 1.506) 4.973 1.527 ( -5.901 3.604 -1.585) 7.093 1.583 ( -0.686 0.567 -2.699) 2.841 1.637 ( -2.042 -4.059 -1.257) 4.714 1.688 ( -1.074 0.634 1.168) 1.708 1.741 ( -3.191 -1.732 -2.203) 4.247 1.816 ( -2.777 -0.257 0.823) 2.908 1.846 ( 0.550 -1.097 -2.402) 2.698 2.241 ( -3.159 -0.145 2.610) 4.100 2.268 ( -3.352 0.751 -0.072) 3.435 2.331 ( -3.585 2.438 0.318) 4.347 2.367 ( -3.675 -1.850 1.107) 4.261 2.548 ( 7.482 -0.348 0.706) 7.524 2.558 ( 7.113 -0.323 -0.325) 7.128 2.940 ( 32.596 0.104 1.042) 32.613 2.962 ( 31.812 0.384 -1.262) 31.840 4.449 ( -14.118 0.072 0.513) 14.128 4.461 ( -13.834 0.221 -0.719) 13.855 4.487 ( 1.352 0.247 0.024) 1.374 4.487 ( 1.429 0.259 -0.053) 1.453 4.522 ( -4.344 -0.315 1.930) 4.764 4.561 ( -4.603 -0.068 -1.976) 5.009 4.664 ( 0.955 0.878 0.304) 1.333 4.675 ( 0.806 -0.507 0.425) 1.042 5.981 ( 1.950 0.128 0.087) 1.956 5.993 ( 1.808 -1.302 0.158) 2.234 6.116 ( 0.786 0.442 1.541) 1.786 6.145 ( 1.015 0.570 -1.372) 1.799 7.139 ( -3.673 0.182 1.001) 3.811 7.160 ( -3.664 0.197 -1.104) 3.832 7.862 ( 4.021 -0.204 0.160) 4.029 7.863 ( 3.745 -0.174 0.051) 3.750 12.234 ( -0.194 -0.051 0.317) 0.375 12.239 ( -0.144 -0.123 -0.110) 0.219 12.711 ( 1.159 0.081 1.253) 1.709 12.739 ( 1.566 0.766 -1.599) 2.366 12.753 ( -0.306 -0.492 0.423) 0.718 12.769 ( 1.005 -0.991 -1.053) 1.761 12.992 ( -0.258 3.762 1.877) 4.212 13.071 ( -0.696 -2.483 -1.176) 2.834======================= Grid point 136 (59/125) =======================q-point: ( 0.44 0.56 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( 5.222 0.000 3.078) 6.062 0.679 ( 2.508 -0.000 0.476) 2.553 0.768 ( 4.910 0.000 6.650) 8.266 0.800 ( 8.961 -0.000 1.594) 9.102 0.847 ( 2.054 -0.000 -4.565) 5.006 0.862 ( 2.858 -0.000 -4.928) 5.697 1.233 ( 8.449 -0.000 3.771) 9.252 1.263 ( 6.751 -0.000 -2.860) 7.332 1.529 ( 7.421 -0.000 2.551) 7.847 1.553 ( 7.604 0.000 -2.646) 8.051 1.639 ( 2.114 0.000 3.822) 4.367 1.648 ( -0.265 -0.000 0.205) 0.335 1.661 ( -4.354 0.000 -0.754) 4.419 1.693 ( -1.570 -0.000 -6.118) 6.317 1.898 ( -4.536 0.000 1.322) 4.725 1.911 ( -5.120 -0.000 -1.351) 5.296 2.305 ( 6.923 0.000 1.161) 7.020 2.312 ( 17.898 -0.000 -0.293) 17.900 2.323 ( 10.931 -0.000 -0.187) 10.933 2.324 ( -0.823 0.000 -0.438) 0.932 2.404 ( 6.863 0.000 1.124) 6.955 2.413 ( 6.822 -0.000 -0.849) 6.875 2.497 ( -0.988 -0.000 2.297) 2.501 2.510 ( 0.298 0.000 -0.535) 0.613 4.451 ( 1.866 -0.100 -0.070) 1.870 4.451 ( 1.867 0.100 -0.070) 1.871 4.590 ( -3.754 0.000 1.416) 4.012 4.602 ( -3.622 0.000 -1.217) 3.821 4.646 ( 1.108 -0.000 0.546) 1.235 4.650 ( 1.039 0.000 -0.336) 1.092 4.702 ( -8.453 0.000 -0.216) 8.456 4.702 ( -8.582 -0.000 -0.308) 8.588 5.953 ( 1.273 0.000 0.461) 1.354 5.956 ( 1.151 -0.000 -0.287) 1.186 6.099 ( 1.797 -0.000 1.195) 2.159 6.110 ( 2.150 0.000 -1.020) 2.379 7.230 ( -5.299 0.000 0.942) 5.382 7.240 ( -5.133 -0.000 -1.137) 5.257 7.769 ( 5.734 -0.000 0.184) 5.737 7.771 ( 5.742 0.000 -0.195) 5.745 12.241 ( -0.437 -0.000 0.047) 0.439 12.242 ( -0.343 0.000 -0.171) 0.383 12.671 ( 3.917 -0.000 0.992) 4.040 12.685 ( 3.945 0.000 -2.003) 4.424 12.745 ( 0.737 0.000 0.921) 1.180 12.754 ( 0.049 -0.000 -0.846) 0.848 13.036 ( -1.023 0.000 1.839) 2.104 13.054 ( -0.495 -0.000 -2.038) 2.097======================= Grid point 144 (60/125) =======================q-point: ( 0.22 -0.33 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.733 ( -1.024 1.823 1.417) 2.526 0.773 ( -1.611 0.030 -0.182) 1.621 0.868 ( 1.552 -1.930 3.694) 4.448 0.943 ( 1.925 -0.610 -2.389) 3.128 1.121 ( -7.943 2.608 0.222) 8.363 1.204 ( -2.711 0.429 -1.519) 3.137 1.264 ( -5.211 -2.710 0.631) 5.907 1.330 ( -1.621 -1.564 -1.598) 2.761 1.365 ( 4.274 3.247 -0.217) 5.372 1.390 ( 2.819 1.452 0.761) 3.261 1.552 ( 0.478 0.092 -0.248) 0.547 1.638 ( 1.895 -0.246 0.553) 1.989 1.658 ( 2.645 0.695 0.664) 2.815 1.768 ( 5.335 1.317 -0.205) 5.499 1.871 ( 1.821 -0.665 1.668) 2.558 1.911 ( 0.942 -1.575 -1.550) 2.402 2.150 ( 1.036 1.455 0.507) 1.856 2.169 ( 0.231 0.505 2.720) 2.776 2.274 ( 0.203 -0.097 -0.319) 0.390 2.318 ( 0.450 -0.248 -1.578) 1.659 2.663 ( -2.716 0.357 0.065) 2.740 2.672 ( -2.357 0.172 0.088) 2.365 3.503 ( -24.680 0.124 -0.005) 24.680 3.510 ( -24.187 -0.235 0.026) 24.188 4.117 ( 17.750 0.102 0.222) 17.751 4.130 ( 17.346 -0.185 -0.190) 17.348 4.450 ( 1.194 0.468 0.520) 1.384 4.474 ( 0.563 0.066 -0.495) 0.752 4.527 ( -0.301 0.022 0.088) 0.314 4.543 ( 0.256 -0.480 0.128) 0.559 4.660 ( -0.574 0.144 0.757) 0.961 4.679 ( -0.700 0.034 -0.484) 0.852 6.049 ( 0.452 -0.470 0.207) 0.684 6.077 ( 0.443 0.235 -0.246) 0.559 6.083 ( -1.242 0.552 1.083) 1.738 6.111 ( -1.414 0.089 -0.913) 1.685 7.079 ( 0.961 0.236 0.140) 1.000 7.108 ( 0.945 -0.592 -0.083) 1.118 7.917 ( -0.903 0.331 0.180) 0.979 7.925 ( -1.052 0.192 0.023) 1.069 12.239 ( 0.243 0.395 0.104) 0.475 12.241 ( 0.352 0.223 0.126) 0.435 12.718 ( -0.506 -0.355 1.002) 1.177 12.747 ( -0.385 1.081 -1.176) 1.643 12.758 ( -0.061 -1.610 2.203) 2.729 12.809 ( 0.533 -1.193 -2.708) 3.007 12.921 ( -0.926 3.659 1.026) 3.912 13.080 ( 0.141 -1.577 0.185) 1.595======================= Grid point 145 (61/125) =======================q-point: ( 0.33 0.67 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.745 ( 2.775 2.740 1.176) 4.073 0.794 ( 1.526 0.734 0.448) 1.751 0.835 ( 0.320 -1.257 -0.215) 1.315 0.879 ( 0.782 -3.285 -1.185) 3.579 1.177 ( 9.416 1.564 1.258) 9.627 1.195 ( 5.289 -0.247 -0.311) 5.304 1.292 ( -6.953 -0.148 1.973) 7.229 1.353 ( -2.681 -1.559 -0.832) 3.211 1.410 ( -2.354 3.141 0.285) 3.936 1.417 ( -3.808 2.493 -0.146) 4.554 1.571 ( -0.939 0.725 -0.335) 1.233 1.613 ( -1.031 -0.227 -0.707) 1.270 1.646 ( -0.398 -0.855 2.678) 2.839 1.689 ( 0.825 -1.185 -2.785) 3.137 1.840 ( 1.286 -1.577 2.675) 3.361 1.867 ( 1.335 -1.513 -2.918) 3.548 2.187 ( -2.735 2.594 0.404) 3.791 2.205 ( -1.732 1.038 1.749) 2.672 2.276 ( -0.725 0.883 -0.819) 1.406 2.327 ( -2.273 -1.655 0.265) 2.824 2.660 ( 3.244 -0.122 0.238) 3.255 2.663 ( 3.274 -0.210 -0.075) 3.282 3.508 ( 24.317 0.107 0.390) 24.320 3.512 ( 23.950 0.141 -0.411) 23.954 4.123 ( -18.009 0.272 0.340) 18.014 4.131 ( -17.752 -0.011 -0.324) 17.755 4.464 ( -1.649 0.807 1.040) 2.110 4.479 ( -1.255 0.559 -0.933) 1.661 4.520 ( 0.876 -0.365 0.037) 0.950 4.531 ( 0.548 -0.833 -0.097) 1.002 4.669 ( 0.244 0.761 0.265) 0.842 4.686 ( -0.089 -0.195 0.073) 0.226 6.019 ( 1.769 -0.469 -0.000) 1.830 6.041 ( 1.769 -1.699 0.092) 2.454 6.120 ( -0.584 1.034 1.594) 1.987 6.135 ( -0.571 1.151 -1.543) 2.007 7.089 ( -1.581 0.492 0.424) 1.709 7.107 ( -1.381 -0.269 -0.414) 1.467 7.914 ( 1.492 0.113 0.113) 1.501 7.919 ( 1.633 -0.175 0.042) 1.643 12.236 ( 0.240 0.050 0.257) 0.355 12.239 ( 0.099 0.041 -0.052) 0.119 12.727 ( 0.040 0.094 1.132) 1.136 12.743 ( 0.682 0.873 -1.226) 1.652 12.763 ( -0.229 -1.153 1.702) 2.068 12.781 ( 0.375 -1.023 -1.996) 2.274 12.966 ( -0.219 3.917 0.836) 4.011 13.072 ( -0.560 -1.859 -0.188) 1.950======================= Grid point 146 (62/125) =======================q-point: ( 0.44 0.67 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.703 ( 2.981 2.172 0.000) 3.689 0.734 ( 2.447 -1.684 -0.000) 2.970 0.840 ( 0.264 0.030 -0.000) 0.265 0.848 ( 1.062 -1.038 -0.000) 1.485 0.988 ( 11.023 1.889 0.000) 11.184 1.030 ( 9.544 -3.410 -0.000) 10.135 1.349 ( 3.691 1.058 0.000) 3.839 1.364 ( 2.222 -1.012 -0.000) 2.441 1.495 ( -4.755 2.911 0.000) 5.575 1.516 ( -6.092 2.209 0.000) 6.480 1.570 ( 0.360 1.524 0.000) 1.566 1.631 ( -2.104 -4.480 -0.000) 4.950 1.696 ( -1.889 1.468 0.000) 2.392 1.727 ( -2.564 -2.519 -0.000) 3.595 1.822 ( -0.814 -0.047 0.000) 0.815 1.833 ( -1.277 -1.261 -0.000) 1.795 2.259 ( -2.927 0.413 0.000) 2.956 2.262 ( -3.088 0.052 0.000) 3.089 2.333 ( -4.088 2.917 0.000) 5.022 2.372 ( -3.741 -2.064 -0.000) 4.273 2.554 ( 7.373 -0.291 -0.000) 7.378 2.554 ( 7.212 -0.365 -0.000) 7.221 2.950 ( 32.378 0.250 -0.000) 32.379 2.950 ( 32.059 0.224 -0.000) 32.060 4.454 ( -14.084 0.161 0.000) 14.085 4.454 ( -13.801 0.078 0.000) 13.801 4.487 ( 1.258 0.236 0.000) 1.280 4.487 ( 1.764 0.287 0.000) 1.787 4.539 ( -5.067 0.154 0.000) 5.070 4.544 ( -4.056 -0.487 0.000) 4.086 4.665 ( 0.968 0.932 0.000) 1.344 4.677 ( 0.840 -0.523 -0.000) 0.989 5.982 ( 1.924 0.185 -0.000) 1.933 5.994 ( 1.828 -1.333 -0.000) 2.263 6.129 ( 0.987 0.711 0.000) 1.217 6.132 ( 0.782 0.303 0.000) 0.839 7.147 ( -3.781 0.452 0.000) 3.808 7.151 ( -3.507 -0.075 0.000) 3.508 7.863 ( 4.035 -0.162 -0.000) 4.039 7.863 ( 3.778 -0.203 -0.000) 3.783 12.235 ( -0.091 0.065 0.000) 0.112 12.238 ( -0.154 -0.226 -0.000) 0.274 12.724 ( 1.243 0.241 0.000) 1.266 12.724 ( 1.504 0.517 0.000) 1.590 12.758 ( 0.625 -0.252 -0.000) 0.674 12.762 ( 0.155 -1.108 -0.000) 1.119 13.002 ( -0.080 4.416 0.000) 4.417 13.064 ( -0.647 -3.164 -0.000) 3.229======================= Grid point 154 (63/125) =======================q-point: ( 0.22 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.703 ( -2.853 0.900 2.101) 3.656 0.729 ( -0.896 1.223 -2.404) 2.842 0.879 ( -8.005 4.704 3.623) 9.967 0.940 ( -2.796 0.395 -1.453) 3.176 0.971 ( 2.795 1.065 -0.806) 3.098 1.142 ( -2.327 2.912 -0.044) 3.727 1.196 ( -5.118 -2.492 -0.061) 5.692 1.267 ( -3.500 -3.122 -2.164) 5.166 1.422 ( 3.214 2.616 0.189) 4.148 1.443 ( 2.992 -0.296 -0.402) 3.033 1.620 ( 5.008 -1.894 0.470) 5.375 1.649 ( -1.140 -1.863 0.346) 2.212 1.745 ( 6.051 1.443 0.301) 6.228 1.849 ( 4.061 2.143 0.175) 4.595 1.878 ( -0.034 3.612 0.242) 3.620 1.957 ( 1.639 -2.329 0.508) 2.893 2.190 ( 2.466 -0.123 2.201) 3.308 2.222 ( 5.602 1.175 -1.758) 5.988 2.301 ( 2.444 -0.971 1.588) 3.072 2.330 ( 1.727 -0.102 -2.596) 3.120 2.560 ( -7.140 0.930 -0.069) 7.201 2.580 ( -6.465 0.621 0.020) 6.495 2.931 ( -32.944 0.274 -0.034) 32.946 2.947 ( -33.086 -0.984 0.038) 33.100 4.442 ( 14.492 0.053 0.033) 14.493 4.450 ( 12.488 -0.235 -0.066) 12.490 4.475 ( -0.838 -0.163 0.044) 0.855 4.494 ( 3.773 0.326 -0.077) 3.788 4.514 ( 0.298 0.023 0.084) 0.311 4.574 ( 2.914 -1.185 0.174) 3.151 4.648 ( -1.261 -0.181 0.931) 1.578 4.658 ( -0.707 -0.017 -0.987) 1.214 6.015 ( -3.012 1.204 0.438) 3.273 6.040 ( -2.043 1.772 -0.443) 2.740 6.075 ( 0.131 -0.113 -0.060) 0.183 6.114 ( -0.527 -2.074 0.046) 2.140 7.120 ( 3.464 -0.000 -0.067) 3.465 7.155 ( 3.245 -1.049 0.119) 3.413 7.874 ( -3.302 0.554 -0.006) 3.348 7.877 ( -3.490 0.672 0.021) 3.554 12.241 ( 0.356 0.553 0.059) 0.660 12.245 ( 0.303 0.301 -0.058) 0.431 12.710 ( -1.658 0.140 0.586) 1.764 12.720 ( -1.102 -0.847 -0.479) 1.470 12.784 ( -0.089 -0.557 2.541) 2.603 12.817 ( 0.685 -2.187 -2.868) 3.671 12.873 ( -0.845 3.889 0.267) 3.989 13.106 ( 1.099 -1.529 0.221) 1.896======================= Grid point 155 (64/125) =======================q-point: ( 0.33 -0.22 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.740 ( -0.321 2.577 0.000) 2.597 0.772 ( -2.671 -0.155 0.000) 2.675 0.895 ( 4.085 0.024 -0.000) 4.085 0.924 ( 0.562 -3.562 -0.000) 3.606 1.123 ( -8.901 4.391 0.000) 9.925 1.193 ( -2.235 0.265 0.000) 2.251 1.274 ( -4.575 -3.083 -0.000) 5.517 1.317 ( -4.613 -2.419 -0.000) 5.208 1.365 ( 5.588 3.911 0.000) 6.821 1.394 ( 2.822 1.655 0.000) 3.272 1.552 ( 0.765 0.076 -0.000) 0.769 1.639 ( 2.942 0.412 -0.000) 2.971 1.662 ( 1.315 -0.230 -0.000) 1.335 1.766 ( 5.918 1.383 0.000) 6.077 1.882 ( 1.631 1.001 0.000) 1.914 1.902 ( 1.274 -3.378 -0.000) 3.610 2.152 ( 1.484 1.873 0.000) 2.390 2.184 ( -0.169 0.919 0.000) 0.934 2.271 ( 0.859 0.395 0.000) 0.945 2.311 ( -0.509 -0.925 -0.000) 1.055 2.664 ( -2.743 0.405 0.000) 2.773 2.672 ( -2.351 0.197 0.000) 2.359 3.503 ( -24.678 0.146 0.000) 24.678 3.510 ( -24.193 -0.258 0.000) 24.194 4.118 ( 17.670 0.225 -0.000) 17.672 4.129 ( 17.433 -0.293 -0.000) 17.435 4.453 ( 1.155 0.807 0.000) 1.409 4.471 ( 0.580 -0.265 -0.000) 0.637 4.528 ( -0.281 0.052 0.000) 0.286 4.544 ( 0.303 -0.477 -0.000) 0.565 4.664 ( -0.288 0.424 0.000) 0.513 4.676 ( -1.041 -0.114 0.000) 1.047 6.050 ( 0.665 -0.570 -0.000) 0.875 6.076 ( 0.331 0.336 0.000) 0.472 6.089 ( -1.771 1.601 0.000) 2.387 6.105 ( -1.001 -0.905 -0.000) 1.349 7.080 ( 0.903 0.344 0.000) 0.967 7.107 ( 1.014 -0.690 -0.000) 1.227 7.918 ( -0.907 0.400 0.000) 0.992 7.925 ( -1.056 0.194 0.000) 1.073 12.240 ( 0.221 0.447 0.000) 0.498 12.242 ( 0.347 0.260 0.000) 0.434 12.725 ( -0.576 -0.518 -0.000) 0.774 12.740 ( -0.077 1.483 0.000) 1.485 12.777 ( -0.360 -2.975 -0.000) 2.997 12.789 ( 0.635 -0.002 -0.000) 0.635 12.926 ( -1.021 3.736 0.000) 3.873 13.081 ( 0.229 -1.571 -0.000) 1.588======================= Grid point 163 (65/125) =======================q-point: ( 0.22 -0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.597 ( -6.416 6.487 0.000) 9.124 0.644 ( -8.563 5.940 0.000) 10.421 0.686 ( -3.113 3.858 0.000) 4.957 0.933 ( -0.300 -1.668 -0.000) 1.695 1.010 ( 1.946 1.380 0.000) 2.386 1.069 ( -1.232 5.464 0.000) 5.602 1.080 ( -6.344 3.251 0.000) 7.129 1.239 ( -2.601 -3.541 -0.000) 4.394 1.459 ( -0.091 -1.491 -0.000) 1.493 1.477 ( -2.720 -0.844 -0.000) 2.848 1.648 ( 0.327 -1.798 -0.000) 1.827 1.719 ( 1.865 1.249 0.000) 2.245 1.785 ( -2.625 3.814 0.000) 4.630 1.857 ( -3.375 -1.053 -0.000) 3.535 1.882 ( 5.012 0.865 0.000) 5.087 2.000 ( 2.128 -0.745 -0.000) 2.254 2.237 ( -4.655 -0.631 0.000) 4.698 2.279 ( -6.579 1.906 0.000) 6.850 2.346 ( -7.816 -0.830 0.000) 7.860 2.362 ( -16.673 -2.332 0.000) 16.835 2.366 ( -6.558 0.173 0.000) 6.560 2.388 ( -4.240 0.563 0.000) 4.277 2.438 ( 2.700 -0.309 -0.000) 2.718 2.447 ( -7.341 0.646 0.000) 7.369 4.445 ( -2.052 -0.497 -0.000) 2.112 4.466 ( -1.948 0.173 0.000) 1.956 4.554 ( 3.092 -0.033 -0.000) 3.092 4.607 ( -1.544 -0.296 -0.000) 1.572 4.627 ( 5.025 -0.811 -0.000) 5.090 4.642 ( 0.118 -0.620 -0.000) 0.631 4.701 ( 7.337 -0.856 -0.000) 7.387 4.706 ( 8.611 -0.533 -0.000) 8.627 5.948 ( -3.019 0.623 0.000) 3.083 5.991 ( -1.842 0.797 0.000) 2.007 6.070 ( -0.531 0.310 0.000) 0.614 6.106 ( -1.550 -0.901 -0.000) 1.793 7.209 ( 5.769 -0.212 -0.000) 5.773 7.244 ( 4.933 -1.297 -0.000) 5.101 7.785 ( -5.550 0.547 0.000) 5.577 7.785 ( -5.400 0.948 0.000) 5.482 12.247 ( 0.626 0.207 0.000) 0.660 12.250 ( 0.378 0.058 0.000) 0.382 12.659 ( -3.712 -0.876 -0.000) 3.814 12.713 ( -1.162 -0.858 -0.000) 1.445 12.748 ( -3.063 0.499 0.000) 3.103 12.847 ( 1.009 3.642 0.000) 3.779 12.869 ( 2.599 -3.421 -0.000) 4.296 13.141 ( 1.144 -1.217 -0.000) 1.671======================= Grid point 172 (66/125) =======================q-point: ( 0.22 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.354 ( 0.000 13.613 0.000) 13.613 0.477 ( 0.000 12.119 0.000) 12.119 0.498 ( 0.000 7.283 0.000) 7.283 0.761 ( 0.000 20.668 0.000) 20.668 0.909 ( 0.000 6.721 0.000) 6.721 0.998 ( 0.000 9.706 0.000) 9.706 1.023 ( -0.000 -1.830 -0.000) 1.830 1.052 ( 0.000 4.688 0.000) 4.688 1.188 ( 0.000 2.001 0.000) 2.001 1.267 ( -0.000 -3.169 -0.000) 3.169 1.565 ( -0.000 -5.700 -0.000) 5.700 1.622 ( -0.000 -3.307 -0.000) 3.307 1.723 ( -0.000 -3.143 -0.000) 3.143 1.878 ( 0.000 1.410 0.000) 1.410 1.901 ( -0.000 -4.547 -0.000) 4.547 1.979 ( -0.000 -2.468 -0.000) 2.468 2.046 ( -0.000 -0.851 -0.000) 0.851 2.101 ( -0.000 -0.245 -0.000) 0.245 2.211 ( 0.000 1.572 0.000) 1.572 2.276 ( 0.000 0.418 0.000) 0.418 2.398 ( -0.000 -0.587 -0.000) 0.587 2.405 ( -0.000 -1.229 -0.000) 1.229 2.410 ( 0.000 0.370 0.000) 0.370 2.766 ( -0.000 -5.102 -0.000) 5.102 4.391 ( -0.000 -1.603 -0.000) 1.603 4.393 ( -0.000 -1.471 -0.000) 1.471 4.545 ( 0.000 0.516 0.000) 0.516 4.635 ( -0.000 -0.742 -0.000) 0.742 4.638 ( 0.000 0.164 0.000) 0.164 4.722 ( -0.000 -2.328 -0.000) 2.328 4.841 ( 0.000 0.535 0.000) 0.535 4.851 ( -0.000 -0.182 -0.000) 0.182 5.877 ( -0.000 -0.656 -0.000) 0.656 5.929 ( -0.000 -1.831 -0.000) 1.831 6.055 ( 0.000 1.091 0.000) 1.091 6.085 ( 0.000 0.390 0.000) 0.390 7.439 ( -0.000 -0.314 -0.000) 0.314 7.441 ( -0.000 -0.384 -0.000) 0.384 7.556 ( 0.000 0.565 0.000) 0.565 7.560 ( 0.000 1.259 0.000) 1.259 12.262 ( -0.000 -0.265 -0.000) 0.265 12.266 ( -0.000 -0.314 -0.000) 0.314 12.491 ( 0.000 1.952 0.000) 1.952 12.636 ( 0.000 2.918 0.000) 2.918 12.709 ( -0.000 -2.515 -0.000) 2.515 12.876 ( 0.000 4.306 0.000) 4.306 12.997 ( -0.000 -4.652 -0.000) 4.652 13.117 ( -0.000 -0.678 -0.000) 0.678======================= Grid point 173 (67/125) =======================q-point: ( 0.33 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.549 ( -7.238 10.614 1.561) 12.941 0.576 ( -2.345 5.939 0.174) 6.388 0.665 ( -5.409 6.991 1.423) 8.953 0.910 ( -0.159 2.972 -0.459) 3.011 1.019 ( -2.953 4.047 -1.945) 5.374 1.057 ( -0.717 5.091 -2.222) 5.601 1.121 ( -5.633 0.671 1.772) 5.943 1.135 ( 1.088 3.944 0.479) 4.119 1.310 ( -17.073 5.849 1.589) 18.117 1.384 ( -8.013 3.689 0.777) 8.856 1.609 ( -8.313 -4.213 -0.736) 9.348 1.623 ( -5.832 -1.922 -0.229) 6.145 1.684 ( -1.783 -2.346 -0.662) 3.020 1.820 ( 3.510 -4.512 -0.767) 5.768 1.932 ( -4.345 -1.998 -0.399) 4.799 1.985 ( -1.787 -2.519 -0.307) 3.104 1.998 ( 2.150 0.364 0.479) 2.233 2.094 ( -1.363 -0.228 -0.678) 1.539 2.273 ( -4.762 1.692 0.357) 5.066 2.315 ( -2.772 0.352 0.140) 2.798 2.371 ( 1.714 -0.267 -1.739) 2.456 2.387 ( 2.044 0.152 0.318) 2.074 2.401 ( 0.734 -0.700 4.023) 4.149 2.601 ( 10.055 -2.571 -0.753) 10.406 4.400 ( -1.824 -1.081 -0.068) 2.122 4.414 ( -2.889 -1.284 -0.099) 3.163 4.565 ( -1.266 0.414 0.212) 1.349 4.617 ( 1.942 0.206 -0.242) 1.968 4.632 ( -0.215 -0.751 0.206) 0.808 4.681 ( 2.252 -2.034 -0.263) 3.046 4.811 ( 4.012 -0.246 -0.343) 4.034 4.817 ( 3.573 -0.332 0.372) 3.608 5.896 ( -2.323 -0.242 0.068) 2.337 5.943 ( -2.560 -1.505 0.004) 2.970 6.067 ( -0.293 0.937 -0.090) 0.986 6.089 ( -0.272 0.479 0.037) 0.552 7.332 ( 7.184 -0.239 -0.017) 7.188 7.341 ( 6.278 -0.618 -0.008) 6.308 7.666 ( -7.085 0.579 -0.216) 7.112 7.675 ( -7.030 0.682 0.413) 7.075 12.255 ( 0.422 -0.173 -0.282) 0.536 12.258 ( 0.394 -0.115 0.298) 0.507 12.565 ( -4.755 0.342 0.064) 4.768 12.685 ( -1.630 1.747 -0.815) 2.524 12.698 ( -1.692 -1.410 0.378) 2.235 12.890 ( 1.693 1.751 -2.997) 3.862 12.921 ( 2.999 -0.572 3.055) 4.319 13.128 ( -0.848 -2.329 -0.361) 2.505======================= Grid point 174 (68/125) =======================q-point: ( 0.44 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.660 ( -2.134 3.420 -0.865) 4.123 0.745 ( -0.657 2.761 1.713) 3.315 0.768 ( -6.358 5.538 -1.358) 8.540 0.911 ( -1.242 1.002 -0.089) 1.598 1.022 ( 1.430 1.028 -1.438) 2.274 1.113 ( -1.314 1.438 -2.225) 2.957 1.166 ( 0.211 3.958 2.221) 4.543 1.198 ( -2.513 -2.449 3.898) 5.244 1.453 ( -0.616 1.133 -0.952) 1.603 1.486 ( -0.383 1.216 2.331) 2.657 1.609 ( -0.587 -2.241 -1.065) 2.549 1.701 ( 5.074 -2.691 -0.783) 5.796 1.832 ( -0.343 1.093 -1.106) 1.592 1.857 ( -6.701 1.878 0.210) 6.962 1.904 ( 1.155 1.624 0.439) 2.041 1.964 ( 1.156 -2.265 -0.746) 2.650 2.244 ( 0.266 1.941 -1.832) 2.683 2.288 ( -26.334 -1.449 -0.093) 26.374 2.322 ( -2.649 -0.890 -0.307) 2.811 2.338 ( -15.442 -0.368 0.051) 15.447 2.368 ( 2.487 -0.334 0.282) 2.525 2.409 ( 0.274 -0.717 2.409) 2.528 2.430 ( -5.482 0.304 0.390) 5.504 2.457 ( -6.450 0.126 0.506) 6.471 4.439 ( -2.558 -0.126 -0.035) 2.561 4.463 ( -2.809 -0.413 -0.146) 2.843 4.558 ( 3.056 0.405 0.069) 3.083 4.602 ( -0.122 -0.214 -0.412) 0.480 4.611 ( 2.798 -1.076 -0.089) 2.999 4.633 ( 0.567 -0.648 0.571) 1.033 4.689 ( 7.629 -0.441 -0.178) 7.644 4.697 ( 8.329 -0.545 -0.051) 8.347 5.955 ( -3.581 0.420 -0.467) 3.636 5.995 ( -3.495 -0.393 0.440) 3.545 6.076 ( -0.079 0.468 -0.304) 0.563 6.098 ( -0.242 -0.206 0.328) 0.457 7.207 ( 5.646 -0.119 0.074) 5.647 7.224 ( 5.098 -0.963 -0.182) 5.192 7.793 ( -5.640 0.607 -0.185) 5.676 7.800 ( -5.282 0.598 0.297) 5.324 12.247 ( 0.174 0.107 -0.294) 0.358 12.254 ( 0.277 0.210 0.416) 0.542 12.650 ( -3.958 -0.231 0.035) 3.965 12.689 ( -0.977 -1.408 -0.643) 1.830 12.754 ( -1.862 0.496 -1.655) 2.540 12.838 ( 1.490 -0.754 1.623) 2.329 12.914 ( 1.461 3.950 0.559) 4.249 13.104 ( 0.637 -3.013 -0.541) 3.126======================= Grid point 175 (69/125) =======================q-point: ( 0.56 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( -1.405 0.747 -2.288) 2.787 0.752 ( -0.163 -0.664 -0.657) 0.948 0.848 ( -1.099 0.555 -3.636) 3.839 0.996 ( 1.559 1.759 0.063) 2.352 1.019 ( -5.482 3.600 1.019) 6.637 1.123 ( -2.342 -2.679 -2.707) 4.471 1.199 ( -1.672 0.244 4.550) 4.854 1.250 ( -3.612 -2.986 4.745) 6.669 1.455 ( 1.943 3.394 -0.968) 4.029 1.495 ( 3.225 3.448 0.729) 4.777 1.583 ( 3.684 -1.885 -1.125) 4.288 1.613 ( -1.262 -2.157 -0.174) 2.506 1.764 ( 4.699 1.635 -1.140) 5.104 1.883 ( 4.345 1.934 -0.479) 4.780 1.892 ( 2.109 -1.893 -0.804) 2.946 1.928 ( 0.465 0.243 1.150) 1.264 2.165 ( 2.637 0.172 -3.346) 4.263 2.213 ( 5.175 -1.967 -2.372) 6.023 2.285 ( 1.602 0.139 0.247) 1.627 2.367 ( 2.288 0.406 3.977) 4.607 2.573 ( -6.759 0.683 -0.071) 6.794 2.586 ( -6.344 0.134 -0.137) 6.347 2.932 ( -33.188 -0.051 -0.163) 33.189 2.940 ( -33.126 -0.070 0.265) 33.127 4.441 ( 14.615 0.018 -0.172) 14.616 4.448 ( 13.634 -0.104 0.026) 13.635 4.477 ( 0.195 0.358 -0.011) 0.408 4.501 ( 1.965 -0.060 0.539) 2.038 4.511 ( -0.410 0.241 -0.668) 0.821 4.552 ( 2.052 -1.240 -0.209) 2.406 4.634 ( -1.256 -0.256 -1.238) 1.782 4.667 ( -0.918 -0.030 0.920) 1.300 6.020 ( -2.985 0.459 -1.093) 3.211 6.064 ( -2.412 -0.391 0.645) 2.527 6.075 ( -0.576 0.753 -0.197) 0.969 6.093 ( 0.548 -0.444 0.464) 0.844 7.121 ( 3.388 0.060 -0.091) 3.389 7.139 ( 2.954 -0.734 -0.042) 3.044 7.881 ( -3.090 0.389 -0.105) 3.116 7.884 ( -3.316 0.299 -0.132) 3.332 12.245 ( 0.137 0.267 -0.261) 0.397 12.251 ( 0.465 0.272 0.101) 0.548 12.693 ( -1.241 -0.646 -0.988) 1.713 12.708 ( -1.926 -1.092 -0.902) 2.390 12.759 ( -0.543 0.246 -0.732) 0.944 12.831 ( 1.098 -0.404 3.177) 3.386 12.935 ( -0.135 4.411 -0.796) 4.484 13.064 ( 0.341 -3.162 -0.681) 3.253======================= Grid point 176 (70/125) =======================q-point: (-0.33 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( -0.283 0.363 -5.934) 5.952 0.758 ( -3.944 -1.098 -1.233) 4.275 0.829 ( 1.709 -0.285 0.534) 1.813 0.979 ( 2.963 0.668 3.863) 4.914 1.124 ( -4.966 0.203 -2.699) 5.655 1.169 ( -5.377 -1.544 -3.068) 6.381 1.295 ( -3.421 1.455 4.493) 5.832 1.320 ( -0.250 -1.415 1.680) 2.210 1.389 ( 2.473 0.437 -1.439) 2.894 1.413 ( 4.222 1.652 -0.462) 4.557 1.562 ( -0.496 0.585 -1.147) 1.380 1.614 ( -0.157 -0.980 0.862) 1.314 1.695 ( 4.287 2.985 0.043) 5.224 1.765 ( 5.454 -2.146 0.099) 5.862 1.827 ( 3.186 -0.451 -2.667) 4.179 1.922 ( 0.855 -0.349 2.645) 2.802 2.137 ( -0.181 0.248 -4.489) 4.499 2.148 ( -1.049 -0.113 -2.558) 2.767 2.269 ( 0.059 -0.163 0.094) 0.197 2.342 ( 2.016 0.200 2.460) 3.187 2.666 ( -2.294 0.122 -0.322) 2.320 2.671 ( -2.207 -0.034 -0.211) 2.217 3.504 ( -24.705 0.016 -0.086) 24.705 3.508 ( -24.242 -0.029 0.053) 24.242 4.113 ( 17.840 -0.048 -0.443) 17.845 4.132 ( 16.921 0.026 0.335) 16.924 4.446 ( 1.225 0.022 -0.944) 1.547 4.489 ( 0.437 0.571 1.022) 1.250 4.525 ( -0.274 -0.074 -0.297) 0.411 4.532 ( 0.079 -0.530 -0.284) 0.606 4.650 ( -1.052 -0.094 -1.221) 1.614 4.684 ( -0.377 0.030 0.311) 0.490 6.043 ( 0.824 0.118 -0.291) 0.882 6.054 ( 0.727 -1.168 -0.649) 1.521 6.089 ( -0.799 0.503 -0.586) 1.111 6.135 ( -2.257 0.653 1.117) 2.602 7.077 ( 1.016 0.014 -0.581) 1.171 7.104 ( 0.486 -0.183 0.456) 0.691 7.917 ( -0.739 0.078 -0.475) 0.882 7.926 ( -0.830 0.047 -0.099) 0.837 12.240 ( 0.707 0.058 -0.377) 0.803 12.242 ( 0.262 0.111 -0.306) 0.418 12.704 ( -0.615 0.026 -1.338) 1.472 12.714 ( -1.004 -1.100 -1.499) 2.113 12.783 ( -0.462 1.171 1.626) 2.056 12.814 ( 1.179 -1.010 2.145) 2.647 12.963 ( -0.063 2.940 -2.205) 3.676 13.045 ( -0.894 -2.167 -0.094) 2.346======================= Grid point 177 (71/125) =======================q-point: (-0.22 0.00 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.686 ( 0.036 0.000 -4.339) 4.339 0.790 ( 2.311 0.000 -0.803) 2.447 0.844 ( -4.014 -0.000 1.345) 4.233 0.911 ( 6.835 -0.000 3.649) 7.748 1.143 ( 6.806 0.000 -6.423) 9.358 1.156 ( 6.408 -0.000 -1.662) 6.621 1.226 ( -3.825 0.000 -1.103) 3.981 1.378 ( -0.365 -0.000 0.456) 0.584 1.423 ( -6.613 0.000 -0.505) 6.632 1.448 ( -0.701 0.000 -0.305) 0.764 1.573 ( -1.684 -0.000 1.108) 2.016 1.626 ( -2.302 -0.000 2.286) 3.244 1.663 ( 0.463 -0.000 1.692) 1.754 1.702 ( -0.548 -0.000 0.477) 0.726 1.769 ( 0.939 0.000 -3.336) 3.466 1.917 ( 1.044 -0.000 3.462) 3.616 2.139 ( -2.173 0.000 -4.243) 4.767 2.186 ( -3.311 0.000 -2.462) 4.126 2.284 ( -1.859 0.000 -0.511) 1.928 2.325 ( 0.510 -0.000 0.967) 1.093 2.651 ( 3.667 -0.000 -0.438) 3.693 2.660 ( 3.191 -0.000 -0.184) 3.197 3.501 ( 24.837 -0.000 -0.291) 24.839 3.521 ( 23.032 -0.000 0.359) 23.035 4.116 ( -18.169 0.000 -0.405) 18.174 4.140 ( -17.696 0.000 0.332) 17.699 4.445 ( -1.648 0.000 -1.046) 1.952 4.510 ( -0.693 -0.000 0.697) 0.983 4.516 ( 1.006 -0.000 -0.159) 1.018 4.522 ( -0.537 -0.000 0.313) 0.621 4.659 ( -0.454 0.000 -1.013) 1.110 4.683 ( 0.573 0.000 -0.243) 0.622 6.016 ( 1.607 -0.000 -0.231) 1.623 6.019 ( 1.953 -0.000 -0.230) 1.966 6.103 ( -0.400 0.000 -1.059) 1.132 6.170 ( -0.563 -0.000 0.995) 1.143 7.078 ( -1.419 0.000 -0.683) 1.575 7.119 ( -1.869 -0.000 0.633) 1.973 7.908 ( 1.404 -0.000 -0.401) 1.460 7.915 ( 1.842 -0.000 -0.183) 1.851 12.227 ( 0.319 0.000 -0.544) 0.630 12.237 ( 0.063 0.000 -0.220) 0.229 12.703 ( -0.019 0.000 -1.130) 1.130 12.726 ( -1.080 0.000 -0.864) 1.384 12.790 ( 1.214 -0.000 1.506) 1.934 12.802 ( 0.440 -0.000 1.890) 1.941 12.963 ( -0.182 0.000 -3.029) 3.034 13.060 ( -1.227 -0.000 0.601) 1.366======================= Grid point 182 (72/125) =======================q-point: ( 0.33 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.380 ( -0.000 12.682 5.482) 13.816 0.484 ( -0.000 12.094 1.437) 12.179 0.506 ( -0.000 7.257 1.857) 7.491 0.774 ( -0.000 18.018 2.265) 18.160 0.911 ( -0.000 8.673 1.066) 8.738 0.946 ( -0.000 5.789 -7.563) 9.524 1.023 ( -0.000 1.711 -2.872) 3.343 1.079 ( -0.000 4.815 4.952) 6.907 1.195 ( -0.000 2.082 1.209) 2.408 1.265 ( 0.000 -2.302 -0.418) 2.340 1.566 ( 0.000 -5.530 0.259) 5.536 1.617 ( 0.000 -2.983 -1.159) 3.201 1.712 ( 0.000 -3.555 -2.030) 4.094 1.867 ( 0.000 -1.213 -2.751) 3.007 1.900 ( 0.000 -1.604 0.141) 1.610 1.977 ( 0.000 -1.985 -0.479) 2.042 2.047 ( 0.000 -0.753 0.106) 0.760 2.092 ( -0.000 -0.099 -1.689) 1.692 2.215 ( -0.000 1.569 0.817) 1.769 2.275 ( -0.000 0.490 -0.165) 0.517 2.411 ( 0.000 -0.792 2.553) 2.673 2.412 ( -0.000 0.442 0.652) 0.788 2.426 ( 0.000 -1.709 3.887) 4.246 2.754 ( 0.000 -4.987 -2.620) 5.633 4.390 ( 0.000 -1.568 -0.153) 1.576 4.393 ( 0.000 -1.441 -0.150) 1.449 4.547 ( -0.000 0.548 0.485) 0.732 4.632 ( 0.000 -0.627 -0.660) 0.911 4.638 ( -0.000 0.143 0.089) 0.168 4.719 ( 0.000 -2.254 -0.723) 2.367 4.841 ( -0.000 0.529 0.158) 0.552 4.852 ( 0.000 -0.177 0.248) 0.305 5.880 ( 0.000 -0.871 0.711) 1.124 5.928 ( 0.000 -1.834 -0.203) 1.845 6.055 ( -0.000 1.109 0.042) 1.110 6.082 ( -0.000 0.565 -0.573) 0.805 7.439 ( 0.000 -0.313 0.008) 0.313 7.441 ( 0.000 -0.379 -0.028) 0.380 7.559 ( -0.000 0.547 0.511) 0.749 7.560 ( -0.000 1.275 0.122) 1.280 12.262 ( 0.000 -0.195 -0.096) 0.217 12.265 ( 0.000 -0.238 -0.165) 0.289 12.494 ( -0.000 2.002 0.595) 2.088 12.632 ( -0.000 2.946 -0.981) 3.105 12.707 ( 0.000 -2.152 -0.229) 2.164 12.867 ( -0.000 3.586 -1.870) 4.044 13.003 ( 0.000 -3.882 1.230) 4.072 13.112 ( 0.000 -0.382 -1.042) 1.110======================= Grid point 183 (73/125) =======================q-point: ( 0.44 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.560 ( -3.921 9.244 0.576) 10.058 0.599 ( -4.416 5.896 5.423) 9.147 0.685 ( -5.491 5.820 2.426) 8.361 0.896 ( 1.021 2.786 -2.862) 4.122 0.997 ( -6.112 3.038 -2.321) 7.209 1.024 ( -0.994 4.234 -4.741) 6.434 1.127 ( -0.515 7.056 0.589) 7.100 1.159 ( -4.033 1.624 3.571) 5.627 1.335 ( -14.953 5.078 3.593) 16.195 1.397 ( -8.727 4.293 2.016) 9.932 1.593 ( -5.610 -3.674 -2.855) 7.289 1.618 ( -5.772 -1.562 -0.750) 6.027 1.677 ( -4.423 -2.683 -0.326) 5.183 1.805 ( 2.711 -3.979 -2.643) 5.493 1.928 ( -3.290 -1.571 -0.356) 3.663 1.981 ( -2.158 -1.475 -0.579) 2.677 2.003 ( 2.636 -0.277 0.421) 2.684 2.084 ( -1.611 -0.011 -1.221) 2.021 2.278 ( -4.613 1.692 0.828) 4.983 2.317 ( -3.289 0.525 0.149) 3.334 2.368 ( 3.344 -0.917 0.929) 3.590 2.392 ( 2.212 0.140 0.813) 2.361 2.443 ( 0.185 -1.143 4.742) 4.881 2.588 ( 9.454 -2.795 -2.006) 10.060 4.399 ( -1.885 -1.093 -0.161) 2.185 4.412 ( -2.791 -1.103 -0.275) 3.014 4.569 ( -1.171 0.389 0.612) 1.377 4.614 ( 1.622 -0.045 -0.349) 1.659 4.634 ( -0.129 -0.436 0.283) 0.536 4.676 ( 2.169 -1.906 -0.735) 2.979 4.807 ( 4.060 -0.085 -0.335) 4.075 4.821 ( 3.747 -0.381 0.406) 3.788 5.897 ( -2.114 -0.418 0.161) 2.161 5.943 ( -2.693 -1.454 0.011) 3.061 6.066 ( -0.187 0.943 -0.209) 0.984 6.089 ( -0.500 0.522 0.081) 0.727 7.332 ( 7.142 -0.251 -0.040) 7.147 7.341 ( 6.404 -0.550 -0.021) 6.427 7.664 ( -6.960 0.698 -0.173) 6.997 7.680 ( -7.038 0.603 0.645) 7.093 12.253 ( 0.498 -0.129 -0.240) 0.568 12.261 ( 0.292 0.053 0.284) 0.411 12.566 ( -4.478 0.617 0.246) 4.527 12.671 ( -1.524 1.282 -2.156) 2.935 12.705 ( -1.668 -0.898 1.175) 2.229 12.863 ( 1.131 1.049 -2.927) 3.309 12.949 ( 3.037 0.313 2.963) 4.254 13.122 ( -0.842 -2.012 -0.935) 2.373======================= Grid point 184 (74/125) =======================q-point: ( 0.56 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.648 ( -1.592 3.242 -1.620) 3.958 0.748 ( -1.469 0.328 -2.626) 3.027 0.773 ( -2.898 4.302 4.058) 6.586 0.909 ( -2.423 3.016 -0.169) 3.872 1.003 ( 0.952 2.022 -2.671) 3.482 1.094 ( -2.102 0.341 -1.765) 2.766 1.195 ( -0.415 3.595 3.873) 5.301 1.235 ( -2.380 -0.886 3.987) 4.727 1.447 ( -0.272 0.680 -0.336) 0.806 1.508 ( 0.387 1.320 2.188) 2.585 1.597 ( -1.582 -1.861 -1.285) 2.760 1.690 ( 5.001 -2.115 -1.600) 5.660 1.822 ( 0.300 0.201 -0.927) 0.995 1.857 ( -6.584 3.454 -0.271) 7.440 1.909 ( 1.281 1.251 0.610) 1.892 1.953 ( 1.306 -1.403 -1.645) 2.526 2.232 ( -0.013 0.600 -0.605) 0.852 2.286 ( -25.204 -1.732 -0.318) 25.266 2.322 ( 0.545 -0.563 0.134) 0.795 2.335 ( -19.720 -0.696 -0.565) 19.740 2.364 ( 4.403 -0.090 -0.932) 4.501 2.431 ( -4.056 -0.314 1.360) 4.289 2.441 ( -3.883 0.089 2.440) 4.587 2.463 ( -4.711 -0.064 1.019) 4.820 4.439 ( -2.622 -0.175 -0.003) 2.628 4.461 ( -2.767 -0.182 -0.305) 2.789 4.559 ( 3.136 0.137 0.194) 3.145 4.598 ( 0.462 -0.428 -0.444) 0.771 4.609 ( 1.852 -0.935 -0.327) 2.100 4.640 ( 1.009 -0.438 0.954) 1.456 4.686 ( 7.279 -0.316 -0.413) 7.297 4.697 ( 8.664 -0.602 -0.071) 8.685 5.950 ( -3.367 0.162 -0.572) 3.419 6.000 ( -3.694 -0.224 0.529) 3.739 6.073 ( -0.091 0.298 -0.349) 0.468 6.101 ( -0.227 -0.055 0.387) 0.452 7.208 ( 5.585 -0.180 0.153) 5.590 7.222 ( 5.180 -0.861 -0.316) 5.260 7.791 ( -5.701 0.619 -0.143) 5.736 7.803 ( -5.056 0.552 0.310) 5.095 12.245 ( 0.171 0.104 -0.182) 0.271 12.258 ( 0.374 0.308 0.374) 0.612 12.650 ( -3.831 -0.216 0.059) 3.838 12.680 ( -1.017 -0.955 -1.224) 1.856 12.739 ( -1.224 -0.489 -1.408) 1.929 12.853 ( -0.135 1.166 1.426) 1.847 12.922 ( 2.323 2.747 1.112) 3.766 13.097 ( 0.659 -2.916 -0.914) 3.126======================= Grid point 185 (75/125) =======================q-point: ( 0.67 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.673 ( -1.037 0.743 -2.710) 2.995 0.726 ( -0.341 -2.291 -3.915) 4.549 0.844 ( -0.601 1.344 1.963) 2.454 0.985 ( -0.671 3.180 -1.687) 3.662 1.025 ( -3.758 1.943 -0.267) 4.239 1.105 ( -1.911 -3.537 -1.049) 4.154 1.243 ( -2.626 -0.249 4.425) 5.152 1.295 ( -2.752 -1.206 5.053) 5.879 1.448 ( 1.875 3.095 -0.451) 3.647 1.497 ( 4.538 2.770 -0.308) 5.325 1.567 ( 3.192 -1.856 -2.426) 4.418 1.615 ( -1.073 -1.678 0.711) 2.115 1.755 ( 4.106 1.133 -0.619) 4.305 1.875 ( 4.315 0.152 -1.124) 4.461 1.884 ( 3.080 1.115 -0.817) 3.376 1.937 ( -0.244 1.042 0.641) 1.247 2.139 ( 3.251 -0.842 -2.022) 3.920 2.187 ( 4.891 -3.018 -2.998) 6.483 2.291 ( 2.003 0.325 0.809) 2.184 2.400 ( 2.731 0.478 3.034) 4.110 2.572 ( -6.701 0.464 -0.078) 6.718 2.584 ( -6.327 0.169 -0.216) 6.333 2.931 ( -33.203 -0.113 -0.100) 33.204 2.943 ( -32.967 0.038 0.214) 32.968 4.440 ( 14.641 -0.059 -0.118) 14.641 4.448 ( 13.272 -0.113 -0.040) 13.273 4.478 ( 0.972 0.374 0.176) 1.056 4.501 ( 1.243 0.667 -0.750) 1.598 4.509 ( -0.036 -0.685 0.551) 0.879 4.549 ( 2.113 -0.963 -0.386) 2.354 4.624 ( -1.264 -0.453 -0.966) 1.654 4.674 ( -0.819 -0.062 0.609) 1.023 6.011 ( -2.975 0.257 -0.920) 3.124 6.066 ( -0.259 -0.884 -0.154) 0.934 6.077 ( -2.732 1.196 0.527) 3.029 6.097 ( 0.604 -0.297 0.342) 0.755 7.120 ( 3.543 -0.153 -0.104) 3.547 7.139 ( 2.789 -0.522 -0.047) 2.838 7.880 ( -2.872 0.300 -0.125) 2.891 7.883 ( -3.384 0.287 -0.145) 3.399 12.243 ( 0.160 0.215 -0.220) 0.347 12.252 ( 0.664 0.244 0.040) 0.709 12.685 ( -1.053 -0.684 -0.847) 1.515 12.697 ( -1.428 -1.318 -1.428) 2.412 12.758 ( -1.799 0.447 0.356) 1.887 12.858 ( 1.555 -0.330 2.756) 3.182 12.927 ( 0.254 4.309 -0.988) 4.428 13.057 ( 0.186 -3.203 -0.898) 3.331======================= Grid point 186 (76/125) =======================q-point: (-0.22 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.663 ( 0.020 -0.555 -5.160) 5.190 0.750 ( -5.000 -0.975 -0.613) 5.131 0.837 ( 2.120 -0.026 0.911) 2.308 1.010 ( 1.385 1.420 2.951) 3.556 1.101 ( -4.128 -0.348 -2.479) 4.828 1.145 ( -5.637 -1.991 -1.870) 6.264 1.307 ( 6.133 -0.230 -1.422) 6.300 1.345 ( -1.057 1.007 3.600) 3.884 1.384 ( -2.210 0.182 0.153) 2.222 1.412 ( 3.546 1.296 0.561) 3.817 1.548 ( -1.368 -0.467 -1.922) 2.405 1.627 ( -0.483 -0.143 1.646) 1.722 1.699 ( 3.822 2.858 0.923) 4.861 1.763 ( 5.231 -1.746 -0.396) 5.529 1.801 ( 3.908 -0.652 -2.954) 4.942 1.945 ( 0.444 0.012 2.250) 2.294 2.098 ( 0.070 -0.092 -3.785) 3.787 2.126 ( -1.519 -0.868 -2.124) 2.752 2.271 ( 0.456 0.035 0.166) 0.486 2.360 ( 2.541 0.222 1.536) 2.977 2.663 ( -2.265 0.021 -0.275) 2.281 2.669 ( -2.193 -0.022 -0.215) 2.204 3.503 ( -24.761 -0.007 -0.059) 24.761 3.508 ( -24.149 -0.007 0.030) 24.149 4.110 ( 17.978 -0.095 -0.294) 17.981 4.134 ( 16.735 0.056 0.195) 16.736 4.438 ( 1.406 -0.068 -0.599) 1.529 4.497 ( 0.363 0.855 0.705) 1.166 4.523 ( -0.352 -0.269 -0.152) 0.468 4.529 ( -0.014 -0.571 -0.387) 0.690 4.640 ( -1.084 -0.211 -0.907) 1.429 4.686 ( -0.160 -0.006 0.102) 0.190 6.040 ( 0.435 -0.057 -0.221) 0.491 6.047 ( 0.543 -0.932 -0.658) 1.263 6.086 ( -0.116 0.349 -0.188) 0.413 6.143 ( -2.315 0.681 0.708) 2.515 7.073 ( 1.111 -0.092 -0.403) 1.185 7.107 ( 0.369 -0.089 0.294) 0.480 7.913 ( -0.703 0.013 -0.379) 0.799 7.925 ( -0.818 0.031 -0.126) 0.828 12.237 ( 0.848 -0.003 -0.323) 0.908 12.239 ( 0.248 0.071 -0.278) 0.379 12.693 ( -0.574 -0.254 -1.024) 1.201 12.703 ( -1.188 -0.842 -0.956) 1.743 12.798 ( -0.718 1.228 1.492) 2.061 12.831 ( 1.356 -1.172 1.613) 2.412 12.943 ( 0.468 2.583 -2.083) 3.351 13.043 ( -1.222 -1.851 -0.240) 2.231======================= Grid point 187 (77/125) =======================q-point: (-0.11 0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.654 ( -1.431 0.000 -2.555) 2.929 0.785 ( 3.374 -0.000 -0.347) 3.392 0.852 ( -5.286 0.000 0.524) 5.312 0.946 ( 9.727 -0.000 3.941) 10.495 1.083 ( 3.694 0.000 -6.130) 7.157 1.143 ( 6.151 -0.000 -0.992) 6.230 1.220 ( -2.586 0.000 -0.353) 2.610 1.378 ( 1.601 -0.000 -0.158) 1.609 1.418 ( -6.848 0.000 -0.390) 6.859 1.444 ( 0.484 0.000 -0.312) 0.576 1.587 ( -3.332 -0.000 1.613) 3.702 1.652 ( -2.118 -0.000 2.996) 3.669 1.677 ( -0.284 -0.000 1.426) 1.454 1.701 ( -0.694 0.000 -0.429) 0.815 1.738 ( 0.686 0.000 -3.545) 3.611 1.946 ( 0.598 -0.000 2.612) 2.679 2.104 ( -2.244 0.000 -3.179) 3.891 2.166 ( -3.305 0.000 -1.697) 3.715 2.280 ( -1.570 0.000 -0.323) 1.603 2.331 ( 0.875 -0.000 0.499) 1.007 2.647 ( 3.718 -0.000 -0.268) 3.728 2.658 ( 3.137 -0.000 -0.146) 3.140 3.499 ( 24.984 -0.000 -0.151) 24.984 3.524 ( 22.776 -0.000 0.194) 22.776 4.113 ( -18.229 0.000 -0.215) 18.230 4.142 ( -17.638 0.000 0.161) 17.638 4.437 ( -1.623 0.000 -0.534) 1.709 4.513 ( 0.695 -0.000 0.151) 0.711 4.515 ( 0.924 -0.000 -0.100) 0.929 4.525 ( -2.092 0.000 0.375) 2.125 4.651 ( -0.534 0.000 -0.625) 0.822 4.680 ( 0.717 -0.000 -0.208) 0.747 6.014 ( 1.560 -0.000 -0.138) 1.566 6.017 ( 1.946 -0.000 -0.181) 1.955 6.095 ( -0.316 0.000 -0.537) 0.623 6.176 ( -0.558 -0.000 0.513) 0.758 7.073 ( -1.393 0.000 -0.366) 1.440 7.124 ( -1.947 0.000 0.333) 1.975 7.905 ( 1.321 -0.000 -0.249) 1.344 7.914 ( 1.861 -0.000 -0.133) 1.866 12.223 ( 0.303 0.000 -0.335) 0.451 12.235 ( -0.012 0.000 -0.164) 0.164 12.695 ( -0.157 0.000 -0.595) 0.616 12.720 ( -1.201 0.000 -0.483) 1.295 12.801 ( 1.229 -0.000 0.868) 1.505 12.818 ( 0.618 -0.000 1.484) 1.607 12.938 ( -0.240 0.000 -2.160) 2.173 13.064 ( -1.460 0.000 0.217) 1.476======================= Grid point 188 (78/125) =======================q-point: ( 0.00 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.642 ( -1.962 0.000 0.000) 1.962 0.783 ( 3.720 -0.000 -0.000) 3.720 0.854 ( -5.498 0.000 0.000) 5.498 0.971 ( 13.115 -0.000 -0.000) 13.115 1.048 ( 0.205 -0.000 -0.000) 0.205 1.139 ( 6.063 -0.000 -0.000) 6.063 1.218 ( -2.377 0.000 0.000) 2.377 1.377 ( 2.333 -0.000 -0.000) 2.333 1.416 ( -6.968 0.000 0.000) 6.968 1.443 ( 0.866 -0.000 -0.000) 0.866 1.596 ( -3.963 0.000 0.000) 3.963 1.668 ( -1.414 0.000 0.000) 1.414 1.690 ( -2.006 0.000 0.000) 2.006 1.698 ( -0.689 0.000 0.000) 0.689 1.713 ( 1.458 -0.000 -0.000) 1.458 1.959 ( 0.374 -0.000 -0.000) 0.374 2.088 ( -2.217 0.000 0.000) 2.217 2.158 ( -3.266 0.000 0.000) 3.266 2.278 ( -1.458 0.000 0.000) 1.458 2.334 ( 0.988 -0.000 -0.000) 0.988 2.646 ( 3.736 -0.000 -0.000) 3.736 2.657 ( 3.118 -0.000 -0.000) 3.118 3.498 ( 25.032 -0.000 -0.000) 25.032 3.525 ( 22.684 -0.000 -0.000) 22.684 4.112 ( -18.250 0.000 0.000) 18.250 4.143 ( -17.616 0.000 0.000) 17.616 4.435 ( -1.621 0.000 0.000) 1.621 4.514 ( 1.020 -0.000 -0.000) 1.020 4.514 ( 0.892 -0.000 -0.000) 0.892 4.527 ( -2.480 0.000 0.000) 2.480 4.648 ( -0.559 0.000 0.000) 0.559 4.679 ( 0.770 -0.000 -0.000) 0.770 6.014 ( 1.544 -0.000 -0.000) 1.544 6.016 ( 1.938 -0.000 -0.000) 1.938 6.093 ( -0.280 0.000 0.000) 0.280 6.179 ( -0.556 0.000 0.000) 0.556 7.072 ( -1.385 0.000 0.000) 1.385 7.125 ( -1.975 0.000 0.000) 1.975 7.904 ( 1.291 -0.000 -0.000) 1.291 7.913 ( 1.866 -0.000 -0.000) 1.866 12.221 ( 0.295 -0.000 -0.000) 0.295 12.235 ( -0.040 0.000 0.000) 0.040 12.692 ( -0.210 0.000 0.000) 0.210 12.718 ( -1.246 0.000 0.000) 1.246 12.805 ( 1.235 -0.000 -0.000) 1.235 12.826 ( 0.724 -0.000 -0.000) 0.724 12.927 ( -0.308 0.000 0.000) 0.308 13.064 ( -1.548 0.000 0.000) 1.548======================= Grid point 192 (79/125) =======================q-point: ( 0.44 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.445 ( -0.000 10.463 8.099) 13.231 0.503 ( -0.000 12.025 2.678) 12.319 0.533 ( -0.000 7.660 4.155) 8.715 0.785 ( -0.000 10.712 -0.343) 10.718 0.871 ( -0.000 4.940 -8.641) 9.953 0.943 ( -0.000 13.956 6.329) 15.324 0.982 ( -0.000 2.119 -5.700) 6.081 1.122 ( -0.000 4.830 4.278) 6.452 1.206 ( -0.000 2.386 1.178) 2.660 1.257 ( -0.000 0.059 -1.597) 1.598 1.569 ( 0.000 -5.072 0.335) 5.083 1.601 ( 0.000 -2.553 -2.010) 3.249 1.696 ( 0.000 -4.513 -1.169) 4.662 1.829 ( 0.000 -2.898 -5.193) 5.947 1.905 ( -0.000 0.706 0.882) 1.130 1.970 ( 0.000 -1.023 -1.007) 1.435 2.048 ( 0.000 -0.553 0.189) 0.585 2.076 ( -0.000 0.001 -1.621) 1.621 2.225 ( -0.000 1.540 1.299) 2.015 2.273 ( -0.000 0.675 -0.420) 0.795 2.420 ( -0.000 0.682 1.168) 1.352 2.437 ( 0.000 -0.682 2.620) 2.707 2.471 ( 0.000 -2.739 5.756) 6.375 2.721 ( 0.000 -4.884 -4.279) 6.494 4.388 ( 0.000 -1.478 -0.229) 1.496 4.391 ( 0.000 -1.362 -0.268) 1.388 4.554 ( -0.000 0.615 0.962) 1.142 4.624 ( 0.000 -0.328 -1.224) 1.267 4.641 ( 0.000 -0.032 0.566) 0.567 4.709 ( 0.000 -2.043 -1.331) 2.438 4.844 ( -0.000 0.511 0.294) 0.590 4.854 ( 0.000 -0.092 0.180) 0.203 5.889 ( 0.000 -1.289 1.045) 1.660 5.926 ( 0.000 -1.840 -0.395) 1.882 6.056 ( -0.000 1.157 0.097) 1.161 6.076 ( -0.000 0.903 -0.786) 1.198 7.439 ( 0.000 -0.310 0.018) 0.310 7.441 ( 0.000 -0.364 -0.049) 0.367 7.562 ( -0.000 1.306 0.226) 1.326 7.564 ( -0.000 0.620 0.531) 0.816 12.261 ( -0.000 -0.016 -0.140) 0.141 12.263 ( 0.000 -0.050 -0.247) 0.252 12.502 ( -0.000 2.140 1.196) 2.452 12.616 ( -0.000 2.896 -2.559) 3.865 12.711 ( 0.000 -1.355 1.140) 1.771 12.844 ( -0.000 2.299 -2.950) 3.740 13.017 ( 0.000 -2.469 1.785) 3.047 13.100 ( -0.000 0.101 -1.561) 1.564======================= Grid point 193 (80/125) =======================q-point: ( 0.56 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.571 ( -2.074 6.574 2.050) 7.192 0.660 ( -4.143 5.885 6.602) 9.767 0.704 ( -4.686 4.759 2.117) 7.006 0.863 ( -0.613 2.725 -3.577) 4.538 0.972 ( -5.835 5.068 -5.535) 9.506 0.977 ( -2.981 1.493 -3.425) 4.780 1.143 ( -0.819 9.399 2.843) 9.854 1.188 ( -3.510 2.575 2.590) 5.065 1.372 ( -13.048 4.131 4.209) 14.319 1.419 ( -10.808 5.695 2.624) 12.495 1.558 ( -2.782 -2.639 -4.452) 5.875 1.611 ( -5.329 -1.713 -0.835) 5.659 1.679 ( -6.186 -2.933 0.684) 6.880 1.773 ( 1.169 -3.133 -4.181) 5.353 1.927 ( -1.821 -1.226 0.162) 2.201 1.975 ( -2.438 -1.186 -0.610) 2.779 2.005 ( 3.067 0.110 -0.056) 3.069 2.075 ( -1.803 -0.001 -0.744) 1.950 2.287 ( -4.236 1.623 0.891) 4.623 2.317 ( -3.911 0.896 -0.108) 4.014 2.384 ( 4.491 -1.655 2.395) 5.352 2.402 ( 2.585 0.128 1.245) 2.872 2.481 ( 0.466 -1.476 3.486) 3.814 2.567 ( 8.102 -3.292 -2.420) 9.074 4.397 ( -1.991 -1.114 -0.159) 2.287 4.409 ( -2.626 -0.831 -0.352) 2.777 4.576 ( -0.990 0.298 0.903) 1.373 4.611 ( 1.173 -0.215 -0.306) 1.231 4.637 ( 0.020 -0.186 0.279) 0.336 4.668 ( 1.969 -1.642 -1.047) 2.769 4.805 ( 4.266 0.032 -0.204) 4.271 4.824 ( 3.861 -0.340 0.277) 3.886 5.899 ( -1.804 -0.669 0.166) 1.931 5.943 ( -2.897 -1.374 0.014) 3.206 6.064 ( -0.080 0.954 -0.212) 0.980 6.090 ( -0.780 0.580 0.078) 0.975 7.331 ( 7.094 -0.265 -0.043) 7.099 7.341 ( 6.574 -0.459 -0.024) 6.590 7.663 ( -6.838 0.775 -0.053) 6.882 7.685 ( -7.004 0.610 0.544) 7.051 12.251 ( 0.538 -0.015 -0.160) 0.561 12.263 ( 0.212 0.266 0.214) 0.402 12.570 ( -3.949 1.052 0.518) 4.120 12.649 ( -1.839 1.296 -2.530) 3.386 12.718 ( -1.065 -0.994 1.649) 2.200 12.837 ( 0.055 1.052 -2.647) 2.849 12.974 ( 3.188 0.685 2.418) 4.059 13.112 ( -0.845 -1.605 -1.141) 2.143======================= Grid point 194 (81/125) =======================q-point: ( 0.67 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.634 ( -1.096 1.954 -1.253) 2.567 0.721 ( -0.216 -0.424 -2.827) 2.867 0.818 ( -1.765 3.782 5.482) 6.890 0.909 ( -2.793 3.368 0.103) 4.377 0.972 ( 0.221 3.045 -4.106) 5.117 1.081 ( -3.106 -0.286 -1.168) 3.331 1.232 ( -1.049 2.141 3.868) 4.543 1.268 ( -2.268 1.983 2.996) 4.248 1.447 ( -0.006 -0.192 0.264) 0.327 1.519 ( 1.243 0.573 -0.163) 1.378 1.593 ( -2.267 -1.072 0.784) 2.627 1.672 ( 4.603 -1.084 -2.293) 5.255 1.815 ( 0.974 -0.188 -0.490) 1.106 1.854 ( -6.668 4.465 -0.397) 8.035 1.914 ( 1.627 1.071 0.466) 2.003 1.937 ( 1.810 -0.499 -1.762) 2.575 2.234 ( -1.763 -0.852 0.965) 2.182 2.281 ( -19.970 -2.175 -0.793) 20.104 2.322 ( -3.252 -0.379 -0.293) 3.287 2.332 ( -16.035 -1.020 0.044) 16.067 2.355 ( 1.606 0.421 -1.116) 2.001 2.440 ( -7.036 0.715 0.779) 7.115 2.457 ( -5.599 -0.313 0.703) 5.651 2.479 ( -0.030 -0.728 2.160) 2.279 4.439 ( -2.733 -0.255 0.074) 2.746 4.458 ( -2.668 0.108 -0.372) 2.696 4.561 ( 3.279 -0.243 0.282) 3.300 4.594 ( 0.999 -0.482 -0.369) 1.169 4.606 ( 1.040 -0.811 -0.339) 1.362 4.650 ( 1.021 -0.269 1.069) 1.503 4.681 ( 7.184 -0.223 -0.655) 7.218 4.696 ( 9.032 -0.627 -0.054) 9.054 5.945 ( -3.194 -0.051 -0.423) 3.222 6.004 ( -3.848 -0.106 0.383) 3.869 6.070 ( -0.098 0.176 -0.247) 0.318 6.104 ( -0.220 0.044 0.282) 0.360 7.209 ( 5.474 -0.276 0.232) 5.486 7.219 ( 5.317 -0.722 -0.373) 5.379 7.790 ( -5.715 0.618 -0.079) 5.749 7.806 ( -4.858 0.517 0.220) 4.890 12.244 ( 0.190 0.121 -0.085) 0.241 12.261 ( 0.463 0.398 0.259) 0.663 12.651 ( -3.621 -0.191 0.071) 3.627 12.668 ( -1.157 -0.565 -1.238) 1.786 12.729 ( -0.955 -1.065 -0.718) 1.600 12.863 ( -1.194 2.814 0.747) 3.147 12.933 ( 2.997 1.488 1.228) 3.564 13.088 ( 0.695 -2.817 -0.920) 3.044======================= Grid point 195 (82/125) =======================q-point: ( 0.78 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.647 ( -0.381 -0.046 -2.680) 2.707 0.699 ( -1.057 -2.300 -1.718) 3.059 0.867 ( 0.601 1.268 2.536) 2.898 0.969 ( -1.611 3.577 -1.579) 4.229 1.018 ( -3.685 1.389 -0.953) 4.052 1.101 ( -1.889 -3.887 -0.211) 4.327 1.274 ( -3.398 -1.768 2.241) 4.438 1.340 ( -1.393 1.916 4.317) 4.925 1.449 ( 1.517 2.094 0.790) 2.704 1.489 ( 4.243 2.082 -1.373) 4.921 1.541 ( 4.124 -1.720 -2.814) 5.280 1.623 ( -1.035 -1.531 0.826) 2.024 1.753 ( 3.556 0.891 0.107) 3.668 1.866 ( 3.679 -0.892 -0.815) 3.872 1.877 ( 4.799 2.990 -0.809) 5.712 1.940 ( -1.086 2.209 -0.016) 2.461 2.130 ( 4.213 -2.095 0.069) 4.705 2.161 ( 4.530 -3.682 -2.571) 6.379 2.297 ( 2.197 0.414 0.494) 2.289 2.421 ( 3.099 0.471 1.644) 3.540 2.572 ( -6.667 0.202 -0.045) 6.670 2.582 ( -6.335 0.254 -0.185) 6.342 2.930 ( -33.189 -0.142 -0.043) 33.189 2.944 ( -32.858 0.107 0.116) 32.858 4.439 ( 14.626 -0.120 -0.056) 14.627 4.447 ( 13.271 -0.113 -0.031) 13.271 4.480 ( 1.519 0.451 0.332) 1.620 4.494 ( -0.160 0.448 -0.780) 0.914 4.515 ( 0.977 -0.806 0.555) 1.382 4.546 ( 2.100 -0.621 -0.395) 2.225 4.617 ( -1.247 -0.623 -0.525) 1.489 4.678 ( -0.749 -0.102 0.296) 0.812 6.004 ( -2.953 0.117 -0.512) 2.999 6.064 ( 0.296 -0.768 -0.183) 0.843 6.082 ( -3.366 1.021 0.393) 3.539 6.099 ( 0.716 -0.193 0.169) 0.761 7.119 ( 3.671 -0.328 -0.068) 3.686 7.138 ( 2.651 -0.348 -0.030) 2.674 7.879 ( -2.668 0.219 -0.085) 2.678 7.882 ( -3.457 0.280 -0.091) 3.470 12.242 ( 0.204 0.174 -0.125) 0.296 12.252 ( 0.816 0.216 0.008) 0.844 12.678 ( -0.935 -0.675 -0.559) 1.281 12.686 ( -1.295 -1.431 -0.821) 2.097 12.762 ( -2.533 0.468 0.389) 2.605 12.880 ( 2.122 -0.221 1.790) 2.786 12.918 ( 0.441 4.237 -0.799) 4.334 13.049 ( 0.022 -3.272 -0.684) 3.343======================= Grid point 196 (83/125) =======================q-point: (-0.11 0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.629 ( -0.197 -0.928 -1.994) 2.208 0.746 ( -5.419 -0.980 -0.193) 5.510 0.844 ( 2.590 0.013 0.375) 2.617 1.034 ( -0.611 2.061 1.948) 2.901 1.079 ( -2.803 -0.570 -1.910) 3.440 1.135 ( -5.536 -2.571 -0.539) 6.127 1.294 ( 9.123 -0.283 -1.004) 9.183 1.367 ( 1.051 1.256 1.090) 1.968 1.386 ( -3.792 0.618 0.113) 3.844 1.423 ( 3.041 0.829 1.194) 3.371 1.531 ( -2.953 -0.903 -1.250) 3.332 1.638 ( -0.990 0.139 0.697) 1.219 1.711 ( 2.975 2.672 1.283) 4.200 1.760 ( 6.476 0.219 -0.187) 6.482 1.776 ( 3.810 -2.470 -2.043) 4.979 1.961 ( 0.098 0.407 1.017) 1.100 2.073 ( 0.380 -0.505 -1.586) 1.707 2.112 ( -1.737 -1.309 -0.820) 2.325 2.272 ( 0.714 0.149 0.064) 0.733 2.370 ( 2.818 0.205 0.518) 2.873 2.661 ( -2.250 -0.043 -0.108) 2.253 2.667 ( -2.184 -0.018 -0.091) 2.186 3.503 ( -24.788 -0.018 -0.021) 24.788 3.508 ( -24.098 0.004 0.009) 24.098 4.108 ( 18.050 -0.120 -0.103) 18.051 4.135 ( 16.633 0.071 0.062) 16.633 4.435 ( 1.508 -0.113 -0.203) 1.526 4.502 ( 0.314 1.115 0.251) 1.185 4.523 ( -0.267 -0.344 0.133) 0.456 4.526 ( -0.195 -0.736 -0.350) 0.837 4.634 ( -1.088 -0.284 -0.336) 1.174 4.686 ( -0.033 -0.035 0.017) 0.051 6.039 ( -0.259 -0.315 -0.070) 0.414 6.043 ( 0.974 -0.640 -0.276) 1.198 6.085 ( 0.208 0.257 -0.037) 0.333 6.147 ( -2.343 0.697 0.241) 2.456 7.070 ( 1.159 -0.140 -0.143) 1.176 7.109 ( 0.306 -0.049 0.100) 0.325 7.910 ( -0.681 -0.024 -0.144) 0.696 7.924 ( -0.808 0.015 -0.055) 0.810 12.235 ( 0.931 -0.041 -0.126) 0.940 12.237 ( 0.250 0.043 -0.111) 0.277 12.686 ( -0.616 -0.397 -0.378) 0.825 12.697 ( -1.251 -0.732 -0.327) 1.485 12.808 ( -0.891 1.289 0.657) 1.700 12.842 ( 1.362 -1.325 0.627) 2.001 12.928 ( 0.930 2.465 -0.925) 2.792 13.041 ( -1.427 -1.721 -0.128) 2.239======================= Grid point 202 (84/125) =======================q-point: ( 0.56 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.520 ( -0.000 7.739 8.043) 11.161 0.532 ( -0.000 11.917 3.418) 12.397 0.577 ( -0.000 9.555 4.856) 10.719 0.778 ( -0.000 5.497 -0.162) 5.500 0.789 ( -0.000 4.580 -9.224) 10.299 0.922 ( -0.000 2.303 -7.210) 7.569 1.017 ( -0.000 15.418 9.195) 17.952 1.155 ( -0.000 5.175 2.760) 5.864 1.213 ( -0.000 2.825 0.211) 2.833 1.234 ( -0.000 3.262 -3.343) 4.670 1.571 ( -0.000 -4.459 0.210) 4.463 1.584 ( -0.000 -2.831 -1.495) 3.201 1.693 ( -0.000 -5.018 0.488) 5.042 1.778 ( -0.000 -3.347 -5.524) 6.458 1.916 ( -0.000 1.216 1.351) 1.818 1.958 ( -0.000 -0.101 -1.425) 1.429 2.050 ( -0.000 -0.365 0.260) 0.448 2.064 ( -0.000 -0.051 -1.005) 1.006 2.237 ( -0.000 1.461 1.404) 2.026 2.267 ( -0.000 0.904 -0.699) 1.143 2.433 ( -0.000 0.925 1.543) 1.799 2.454 ( -0.000 0.068 1.075) 1.078 2.526 ( -0.000 -3.713 6.043) 7.092 2.678 ( -0.000 -4.958 -5.004) 7.044 4.386 ( 0.000 -1.367 -0.185) 1.380 4.388 ( 0.000 -1.279 -0.273) 1.308 4.565 ( 0.000 0.652 1.382) 1.528 4.610 ( 0.000 0.048 -1.607) 1.608 4.649 ( -0.000 -0.402 1.195) 1.261 4.695 ( -0.000 -1.720 -1.728) 2.438 4.847 ( 0.000 0.475 0.380) 0.608 4.855 ( 0.000 0.086 -0.062) 0.106 5.899 ( 0.000 -1.613 1.047) 1.923 5.921 ( 0.000 -1.845 -0.573) 1.932 6.057 ( 0.000 1.218 0.183) 1.232 6.069 ( 0.000 1.153 -0.694) 1.346 7.439 ( 0.000 -0.309 0.031) 0.311 7.440 ( 0.000 -0.344 -0.058) 0.349 7.564 ( 0.000 1.316 0.282) 1.346 7.568 ( 0.000 0.846 0.227) 0.876 12.259 ( -0.000 0.185 -0.106) 0.213 12.261 ( -0.000 0.162 -0.225) 0.278 12.516 ( 0.000 2.333 1.809) 2.952 12.589 ( 0.000 2.826 -3.192) 4.263 12.727 ( -0.000 -0.695 2.424) 2.522 12.815 ( 0.000 1.220 -3.395) 3.607 13.034 ( 0.000 -1.250 1.910) 2.283 13.084 ( -0.000 0.305 -1.732) 1.759======================= Grid point 203 (85/125) =======================q-point: ( 0.67 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.599 ( -0.766 4.193 3.830) 5.731 0.679 ( -1.814 3.841 -2.251) 4.807 0.752 ( -4.224 5.999 7.907) 10.787 0.841 ( -3.738 3.350 -1.106) 5.139 0.911 ( -2.186 4.464 -7.117) 8.681 0.951 ( -7.994 1.768 -2.504) 8.562 1.172 ( -0.608 10.376 2.913) 10.794 1.205 ( -2.885 3.245 0.915) 4.437 1.410 ( -11.956 3.461 3.960) 13.061 1.442 ( -15.069 7.733 1.995) 17.055 1.519 ( -0.352 -2.478 -3.872) 4.610 1.603 ( -3.172 -1.774 -0.901) 3.744 1.688 ( -5.977 -2.949 1.278) 6.786 1.734 ( -0.966 -2.679 -3.971) 4.886 1.930 ( -0.577 -1.069 0.291) 1.250 1.971 ( -2.691 -1.141 -0.382) 2.947 2.003 ( 3.070 0.590 -0.181) 3.132 2.070 ( -1.738 -0.095 -0.257) 1.759 2.294 ( -3.685 1.456 0.604) 4.008 2.316 ( -4.430 1.248 -0.179) 4.606 2.404 ( 3.958 -1.613 1.441) 4.511 2.416 ( 3.907 0.095 1.779) 4.293 2.501 ( 3.068 -2.061 0.620) 3.748 2.549 ( 4.729 -3.674 -1.012) 6.074 4.396 ( -2.112 -1.150 -0.086) 2.406 4.406 ( -2.452 -0.583 -0.254) 2.533 4.584 ( -0.700 0.079 0.888) 1.134 4.608 ( 0.430 -0.086 -0.405) 0.597 4.640 ( 0.633 -0.289 0.524) 0.871 4.658 ( 1.551 -1.224 -1.097) 2.260 4.803 ( 4.461 0.091 -0.086) 4.463 4.826 ( 3.929 -0.271 0.131) 3.941 5.900 ( -1.543 -0.874 0.099) 1.776 5.943 ( -3.074 -1.303 0.010) 3.339 6.062 ( -0.021 0.962 -0.127) 0.971 6.091 ( -0.979 0.627 0.045) 1.163 7.331 ( 7.063 -0.273 -0.027) 7.068 7.341 ( 6.704 -0.388 -0.015) 6.715 7.663 ( -6.751 0.818 -0.000) 6.800 7.689 ( -6.976 0.659 0.297) 7.013 12.250 ( 0.556 0.096 -0.077) 0.569 12.265 ( 0.159 0.441 0.114) 0.483 12.575 ( -3.242 1.523 0.675) 3.645 12.628 ( -2.393 1.256 -1.901) 3.304 12.733 ( -0.032 -1.384 1.493) 2.036 12.815 ( -1.297 1.344 -1.945) 2.696 12.992 ( 3.356 0.975 1.450) 3.784 13.102 ( -0.895 -1.336 -0.840) 1.814======================= Grid point 204 (86/125) =======================q-point: ( 0.78 0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.626 ( -0.469 0.315 -0.416) 0.702 0.701 ( -0.005 0.264 -1.210) 1.239 0.869 ( -0.390 3.214 5.219) 6.141 0.908 ( -1.713 3.659 -0.869) 4.132 0.933 ( -1.916 3.377 -3.701) 5.364 1.073 ( -3.799 -0.552 -0.450) 3.865 1.258 ( -1.614 -0.984 1.516) 2.423 1.288 ( -2.040 6.593 1.309) 7.024 1.451 ( -0.046 -1.417 0.457) 1.489 1.509 ( 1.195 -0.234 -1.095) 1.638 1.608 ( -1.743 -1.119 1.884) 2.800 1.650 ( 4.191 0.526 -2.006) 4.676 1.813 ( 1.318 -0.276 -0.134) 1.354 1.851 ( -6.814 5.035 -0.187) 8.475 1.918 ( 2.000 0.852 0.435) 2.217 1.924 ( 2.327 0.047 -1.002) 2.534 2.246 ( -5.989 -1.771 1.228) 6.365 2.272 ( -10.540 -2.671 -1.051) 10.924 2.319 ( -11.917 -0.361 -0.223) 11.924 2.335 ( -10.810 -1.071 0.378) 10.870 2.346 ( 0.029 0.996 -0.657) 1.194 2.445 ( -7.571 1.047 0.353) 7.651 2.460 ( -6.214 -0.407 0.075) 6.228 2.494 ( 1.191 -1.040 0.894) 1.816 4.440 ( -2.859 -0.362 0.066) 2.882 4.455 ( -2.545 0.350 -0.190) 2.576 4.563 ( 3.434 -0.568 0.153) 3.484 4.592 ( 1.370 -0.408 -0.166) 1.439 4.604 ( 0.474 -0.744 -0.138) 0.893 4.659 ( -0.287 -0.140 0.723) 0.790 4.675 ( 8.415 -0.220 -0.572) 8.438 4.696 ( 9.244 -0.623 -0.020) 9.265 5.942 ( -3.101 -0.168 -0.153) 3.110 6.006 ( -3.926 -0.048 0.136) 3.929 6.069 ( -0.101 0.112 -0.087) 0.174 6.106 ( -0.218 0.091 0.101) 0.257 7.212 ( 5.224 -0.393 0.267) 5.246 7.215 ( 5.584 -0.577 -0.322) 5.623 7.790 ( -5.712 0.614 -0.024) 5.745 7.807 ( -4.744 0.498 0.079) 4.771 12.243 ( 0.208 0.137 -0.023) 0.250 12.262 ( 0.517 0.452 0.092) 0.692 12.652 ( -3.361 -0.142 0.066) 3.365 12.660 ( -1.379 -0.431 -0.542) 1.543 12.725 ( -0.858 -1.272 -0.209) 1.548 12.867 ( -1.593 3.634 0.216) 3.974 12.942 ( 3.232 0.845 0.549) 3.385 13.081 ( 0.723 -2.763 -0.406) 2.884======================= Grid point 205 (87/125) =======================q-point: (-0.11 -0.67 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.633 ( -0.153 -0.574 -0.000) 0.594 0.692 ( -1.295 -2.057 -0.000) 2.430 0.881 ( 1.534 1.051 0.000) 1.859 0.961 ( -2.435 3.863 0.000) 4.566 1.013 ( -3.613 1.188 0.000) 3.803 1.100 ( -1.975 -3.993 -0.000) 4.455 1.284 ( -3.608 -2.337 -0.000) 4.299 1.362 ( -0.465 3.869 0.000) 3.896 1.460 ( 0.857 0.881 0.000) 1.229 1.476 ( 2.525 1.514 0.000) 2.944 1.526 ( 6.176 -1.277 -0.000) 6.306 1.627 ( -1.041 -1.580 -0.000) 1.892 1.754 ( 3.257 0.788 0.000) 3.351 1.862 ( 3.313 -1.467 -0.000) 3.623 1.872 ( 5.724 3.985 0.000) 6.975 1.939 ( -1.460 2.641 0.000) 3.018 2.135 ( 5.577 -2.099 -0.000) 5.959 2.145 ( 3.432 -4.433 -0.000) 5.606 2.299 ( 2.252 0.441 0.000) 2.295 2.429 ( 3.251 0.464 -0.000) 3.284 2.571 ( -6.661 0.064 0.000) 6.662 2.581 ( -6.345 0.317 0.000) 6.353 2.930 ( -33.180 -0.151 0.000) 33.181 2.945 ( -32.818 0.132 0.000) 32.818 4.439 ( 14.602 -0.144 -0.000) 14.602 4.447 ( 13.379 -0.111 -0.000) 13.380 4.482 ( 2.313 0.579 0.000) 2.384 4.489 ( -1.179 0.290 0.000) 1.214 4.518 ( 1.201 -0.952 -0.000) 1.533 4.543 ( 2.065 -0.414 -0.000) 2.106 4.614 ( -1.234 -0.691 -0.000) 1.414 4.680 ( -0.724 -0.120 -0.000) 0.734 6.002 ( -2.943 0.066 0.000) 2.944 6.063 ( 0.375 -0.729 -0.000) 0.820 6.084 ( -3.500 0.955 0.000) 3.628 6.100 ( 0.782 -0.151 -0.000) 0.797 7.119 ( 3.720 -0.395 -0.000) 3.741 7.138 ( 2.599 -0.282 -0.000) 2.614 7.879 ( -2.587 0.186 0.000) 2.594 7.882 ( -3.487 0.277 0.000) 3.498 12.241 ( 0.225 0.158 0.000) 0.275 12.252 ( 0.873 0.204 0.000) 0.897 12.675 ( -0.930 -0.681 -0.000) 1.152 12.682 ( -1.248 -1.459 -0.000) 1.920 12.764 ( -2.786 0.463 0.000) 2.824 12.889 ( 2.613 -0.266 -0.000) 2.626 12.914 ( 0.270 4.315 0.000) 4.324 13.046 ( -0.056 -3.313 -0.000) 3.313======================= Grid point 213 (88/125) =======================q-point: ( 0.67 0.44 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.562 ( 0.000 11.623 2.896) 11.978 0.573 ( 0.000 9.420 1.756) 9.582 0.626 ( -0.000 7.894 7.210) 10.691 0.704 ( -0.000 5.033 -9.207) 10.493 0.797 ( 0.000 2.782 4.573) 5.353 0.854 ( 0.000 2.356 -7.317) 7.687 1.100 ( -0.000 13.254 8.461) 15.724 1.160 ( -0.000 8.764 -3.264) 9.352 1.207 ( 0.000 3.898 -1.111) 4.054 1.210 ( 0.000 3.153 -0.749) 3.240 1.573 ( -0.000 -3.863 0.126) 3.865 1.575 ( -0.000 -3.359 -0.532) 3.401 1.705 ( 0.000 -4.827 2.192) 5.302 1.733 ( 0.000 -4.098 -4.123) 5.813 1.929 ( -0.000 1.100 1.610) 1.950 1.944 ( -0.000 0.630 -1.638) 1.755 2.053 ( 0.000 -0.222 0.366) 0.428 2.057 ( -0.000 -0.127 -0.580) 0.594 2.250 ( 0.000 1.322 1.245) 1.816 2.260 ( -0.000 1.130 -0.981) 1.496 2.447 ( -0.000 1.062 1.428) 1.780 2.456 ( -0.000 0.806 -0.532) 0.966 2.580 ( -0.000 -4.495 5.731) 7.284 2.631 ( -0.000 -4.922 -5.358) 7.275 4.385 ( -0.000 -1.278 -0.036) 1.278 4.386 ( -0.000 -1.244 -0.149) 1.253 4.579 ( 0.000 0.588 1.670) 1.771 4.595 ( 0.000 0.381 -1.758) 1.799 4.662 ( 0.000 -0.860 1.665) 1.874 4.678 ( 0.000 -1.315 -1.849) 2.269 4.850 ( -0.000 0.401 0.383) 0.554 4.853 ( -0.000 0.270 -0.275) 0.386 5.907 ( 0.000 -1.777 0.909) 1.996 5.915 ( 0.000 -1.835 -0.742) 1.979 6.060 ( -0.000 1.264 0.314) 1.303 6.063 ( 0.000 1.259 -0.497) 1.354 7.439 ( 0.000 -0.314 0.045) 0.317 7.440 ( 0.000 -0.326 -0.056) 0.331 7.567 ( -0.000 1.257 0.247) 1.281 7.568 ( -0.000 1.094 -0.077) 1.096 12.259 ( -0.000 0.312 -0.003) 0.312 12.259 ( -0.000 0.304 -0.126) 0.329 12.535 ( 0.000 2.539 2.420) 3.508 12.560 ( 0.000 2.716 -2.959) 4.017 12.753 ( 0.000 -0.169 3.124) 3.128 12.783 ( 0.000 0.427 -3.428) 3.455 13.051 ( 0.000 -0.381 1.880) 1.918 13.068 ( 0.000 0.139 -1.813) 1.818======================= Grid point 214 (89/125) =======================q-point: (-0.22 -0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.630 ( 1.043 0.978 0.000) 1.430 0.652 ( -2.173 5.781 0.000) 6.177 0.815 ( -4.765 7.312 0.000) 8.727 0.830 ( -4.361 4.216 0.000) 6.065 0.861 ( -1.693 2.595 0.000) 3.098 0.938 ( -8.922 1.759 0.000) 9.094 1.188 ( -0.369 11.189 0.000) 11.195 1.207 ( -2.727 2.877 0.000) 3.964 1.435 ( -11.266 3.587 0.000) 11.824 1.448 ( -19.357 8.384 0.000) 21.095 1.498 ( 1.922 -2.369 -0.000) 3.051 1.598 ( -1.222 -1.882 -0.000) 2.244 1.704 ( -7.600 -3.798 -0.000) 8.496 1.705 ( -0.169 -1.825 -0.000) 1.833 1.931 ( -0.053 -1.035 -0.000) 1.036 1.969 ( -2.860 -1.132 -0.000) 3.076 2.002 ( 2.999 0.768 0.000) 3.096 2.069 ( -1.660 -0.128 0.000) 1.665 2.297 ( -3.334 1.335 0.000) 3.591 2.315 ( -4.745 1.429 0.000) 4.956 2.410 ( 3.465 -1.312 -0.000) 3.705 2.426 ( 4.576 0.245 -0.000) 4.582 2.500 ( 5.516 -3.104 -0.000) 6.329 2.547 ( 2.070 -3.379 -0.000) 3.962 4.396 ( -2.174 -1.177 -0.000) 2.472 4.405 ( -2.368 -0.476 -0.000) 2.415 4.589 ( -0.418 -0.175 -0.000) 0.453 4.605 ( -0.120 0.196 0.000) 0.230 4.645 ( 1.741 -0.747 -0.000) 1.894 4.650 ( 0.616 -0.707 -0.000) 0.937 4.803 ( 4.539 0.106 -0.000) 4.541 4.826 ( 3.950 -0.238 -0.000) 3.957 5.900 ( -1.442 -0.951 -0.000) 1.728 5.943 ( -3.143 -1.275 -0.000) 3.392 6.061 ( -0.003 0.965 0.000) 0.965 6.091 ( -1.048 0.645 0.000) 1.231 7.331 ( 7.053 -0.276 -0.000) 7.058 7.341 ( 6.751 -0.362 -0.000) 6.761 7.663 ( -6.719 0.832 0.000) 6.771 7.691 ( -6.967 0.686 0.000) 7.001 12.249 ( 0.560 0.142 0.000) 0.578 12.265 ( 0.141 0.509 0.000) 0.528 12.579 ( -2.757 1.812 0.000) 3.300 12.618 ( -2.818 1.128 0.000) 3.036 12.741 ( 0.770 -1.745 -0.000) 1.907 12.805 ( -2.211 1.667 0.000) 2.769 12.999 ( 3.452 1.104 0.000) 3.625 13.098 ( -0.946 -1.262 -0.000) 1.577======================= Grid point 220 (90/125) =======================q-point: ( 0.33 0.56 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.730 ( 2.184 -0.000 4.966) 5.425 0.800 ( 0.492 -0.000 1.450) 1.532 0.828 ( -1.037 0.000 -2.099) 2.341 0.879 ( 3.513 0.000 -3.546) 4.991 1.172 ( 6.802 -0.000 1.814) 7.039 1.188 ( 9.429 -0.000 2.628) 9.789 1.247 ( -5.921 0.000 4.125) 7.216 1.366 ( -2.742 -0.000 -2.191) 3.510 1.427 ( -6.129 0.000 0.604) 6.159 1.448 ( -2.544 -0.000 -0.260) 2.557 1.571 ( 0.116 -0.000 0.753) 0.762 1.613 ( -1.729 0.000 -0.682) 1.859 1.648 ( 1.038 0.000 -1.425) 1.763 1.691 ( -0.260 -0.000 -1.926) 1.943 1.799 ( 1.209 0.000 3.087) 3.315 1.885 ( 1.378 -0.000 -3.458) 3.723 2.177 ( -1.930 0.000 3.853) 4.309 2.207 ( -3.049 -0.000 1.896) 3.591 2.289 ( -2.158 -0.000 0.551) 2.227 2.314 ( -0.188 0.000 -1.282) 1.296 2.655 ( 3.586 0.000 0.459) 3.615 2.661 ( 3.273 0.000 0.075) 3.274 3.504 ( 24.589 0.000 0.409) 24.592 3.518 ( 23.407 0.000 -0.469) 23.411 4.120 ( -18.080 -0.000 0.546) 18.088 4.136 ( -17.776 -0.000 -0.491) 17.782 4.456 ( -1.724 -0.000 1.459) 2.259 4.500 ( -1.784 0.000 -1.341) 2.231 4.518 ( 1.103 -0.000 0.158) 1.114 4.520 ( 0.766 0.000 -0.078) 0.770 4.669 ( -0.308 -0.000 1.052) 1.096 4.684 ( 0.367 0.000 0.036) 0.369 6.018 ( 1.679 0.000 0.247) 1.697 6.021 ( 1.926 -0.000 0.131) 1.931 6.114 ( -0.483 -0.000 1.481) 1.558 6.159 ( -0.566 0.000 -1.397) 1.507 7.086 ( -1.468 0.000 0.909) 1.727 7.113 ( -1.761 -0.000 -0.865) 1.962 7.912 ( 1.516 -0.000 0.403) 1.569 7.917 ( 1.801 0.000 0.109) 1.805 12.232 ( 0.326 -0.000 0.556) 0.645 12.239 ( 0.159 0.000 0.116) 0.196 12.715 ( 0.141 -0.000 1.534) 1.540 12.735 ( -0.915 -0.000 0.972) 1.335 12.775 ( 1.183 -0.000 -1.680) 2.055 12.785 ( 0.292 0.000 -1.774) 1.798 12.991 ( -0.227 0.000 3.049) 3.058 13.052 ( -0.921 -0.000 -1.197) 1.511======================= Grid point 230 (91/125) =======================q-point: ( 0.33 -0.33 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.756 ( -2.826 1.163 2.388) 3.878 0.772 ( -2.064 -0.435 1.251) 2.453 0.839 ( 2.807 -1.148 3.397) 4.554 0.938 ( 3.725 -0.176 -5.186) 6.388 1.152 ( -5.202 1.061 3.464) 6.339 1.196 ( -4.190 -0.936 2.288) 4.865 1.253 ( -5.812 1.126 -3.699) 6.981 1.296 ( -4.354 -2.108 -3.173) 5.785 1.405 ( 5.335 1.055 1.647) 5.682 1.417 ( 4.442 1.497 0.344) 4.700 1.569 ( -0.380 1.867 0.370) 1.941 1.612 ( -0.390 -2.256 0.171) 2.295 1.697 ( 4.907 3.429 0.319) 5.995 1.762 ( 5.988 -2.511 -0.528) 6.515 1.850 ( 2.349 -0.464 2.397) 3.389 1.898 ( 1.377 -0.606 -2.580) 2.986 2.169 ( -0.620 0.857 1.860) 2.140 2.175 ( -0.215 0.165 3.285) 3.297 2.271 ( -0.065 -0.182 0.690) 0.717 2.316 ( 1.250 -0.025 -2.989) 3.240 2.668 ( -2.335 0.232 0.227) 2.357 2.672 ( -2.212 -0.066 0.107) 2.215 3.505 ( -24.619 0.058 0.085) 24.619 3.507 ( -24.360 -0.071 -0.064) 24.361 4.118 ( 17.644 0.026 0.511) 17.651 4.128 ( 17.158 -0.032 -0.443) 17.164 4.455 ( 1.011 0.164 1.168) 1.554 4.479 ( 0.560 0.329 -1.198) 1.363 4.528 ( -0.154 0.084 0.229) 0.288 4.534 ( 0.105 -0.552 0.135) 0.578 4.661 ( -0.953 0.036 1.216) 1.545 4.680 ( -0.637 0.032 -0.624) 0.892 6.045 ( 1.016 0.233 0.218) 1.065 6.058 ( 1.138 -1.288 0.296) 1.744 6.097 ( -1.547 0.598 1.154) 2.020 6.123 ( -2.157 0.619 -1.401) 2.645 7.083 ( 0.879 0.225 0.590) 1.082 7.099 ( 0.644 -0.384 -0.509) 0.906 7.921 ( -0.777 0.166 0.393) 0.886 7.926 ( -0.835 0.031 -0.018) 0.836 12.243 ( 0.543 0.118 0.266) 0.616 12.244 ( 0.313 0.141 0.179) 0.388 12.716 ( -0.760 0.255 1.149) 1.401 12.729 ( -0.879 -1.405 1.527) 2.254 12.770 ( -0.014 1.189 -1.113) 1.629 12.794 ( 0.873 -0.856 -2.045) 2.382 12.980 ( -0.521 3.530 1.471) 3.859 13.045 ( -0.539 -2.701 -0.097) 2.756======================= Grid point 231 (92/125) =======================q-point: ( 0.44 0.67 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.773 ( 4.202 -0.000 4.279) 5.997 0.806 ( 2.767 -0.000 -2.867) 3.984 0.818 ( -1.455 0.000 2.485) 2.880 0.846 ( -0.169 -0.000 -3.525) 3.529 1.187 ( 7.280 -0.000 1.392) 7.412 1.196 ( 8.045 -0.000 -0.326) 8.051 1.294 ( -4.733 -0.000 5.269) 7.083 1.337 ( -4.133 0.000 -4.110) 5.829 1.434 ( -5.367 0.000 0.893) 5.440 1.443 ( -4.276 -0.000 -0.850) 4.359 1.585 ( 0.802 -0.000 2.049) 2.200 1.604 ( 0.003 0.000 -1.719) 1.719 1.647 ( 0.504 0.000 1.515) 1.597 1.669 ( 0.043 -0.000 -2.757) 2.757 1.826 ( 1.389 0.000 3.029) 3.332 1.855 ( 1.472 -0.000 -3.194) 3.517 2.206 ( -1.863 0.000 2.297) 2.957 2.216 ( -2.403 -0.000 0.055) 2.404 2.294 ( -2.077 -0.000 0.700) 2.191 2.303 ( -1.234 -0.000 -1.153) 1.689 2.658 ( 3.484 -0.000 0.339) 3.500 2.661 ( 3.375 0.000 -0.132) 3.377 3.508 ( 24.245 0.000 0.488) 24.250 3.513 ( 23.833 0.000 -0.511) 23.839 4.125 ( -17.975 0.000 0.615) 17.986 4.131 ( -17.870 -0.000 -0.595) 17.880 4.471 ( -1.843 -0.000 1.677) 2.492 4.486 ( -1.937 0.000 -1.646) 2.542 4.519 ( 1.165 -0.000 0.108) 1.170 4.520 ( 1.118 0.000 -0.055) 1.120 4.677 ( -0.105 -0.000 0.782) 0.789 4.683 ( 0.130 0.000 -0.356) 0.379 6.020 ( 1.769 0.000 0.176) 1.777 6.021 ( 1.859 -0.000 -0.033) 1.859 6.129 ( -0.536 -0.000 1.693) 1.776 6.144 ( -0.560 0.000 -1.654) 1.746 7.095 ( -1.544 0.000 1.018) 1.850 7.104 ( -1.646 -0.000 -1.001) 1.926 7.915 ( 1.633 -0.000 0.268) 1.655 7.917 ( 1.732 0.000 -0.066) 1.733 12.237 ( 0.305 -0.000 0.385) 0.491 12.239 ( 0.247 0.000 -0.120) 0.274 12.730 ( 0.160 0.000 1.617) 1.625 12.740 ( -0.474 -0.000 -0.244) 0.533 12.764 ( 0.854 -0.000 -0.332) 0.916 12.770 ( 0.274 0.000 -1.367) 1.394 13.017 ( -0.377 0.000 2.604) 2.631 13.038 ( -0.619 -0.000 -1.920) 2.018======================= Grid point 240 (93/125) =======================q-point: ( 0.33 -0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.716 ( -1.682 0.728 2.095) 2.783 0.742 ( -0.471 0.364 -1.897) 1.988 0.900 ( -0.527 0.096 6.357) 6.380 0.967 ( -0.127 0.357 -5.136) 5.150 1.023 ( -4.084 5.658 0.824) 7.026 1.151 ( -2.690 -1.719 2.885) 4.302 1.168 ( -0.987 -0.502 -2.040) 2.321 1.210 ( -3.908 -3.850 -3.453) 6.482 1.464 ( 2.206 3.320 0.815) 4.068 1.486 ( 2.002 3.964 -0.840) 4.520 1.589 ( 3.943 -1.987 0.366) 4.431 1.615 ( -1.328 -2.432 0.185) 2.777 1.773 ( 5.217 2.239 0.624) 5.711 1.885 ( 3.355 2.291 0.073) 4.063 1.897 ( 2.402 -4.252 0.233) 4.889 1.920 ( 0.875 0.944 -0.515) 1.387 2.193 ( 2.290 0.444 2.401) 3.347 2.224 ( 5.352 -0.819 -0.167) 5.417 2.294 ( 1.598 0.041 2.331) 2.826 2.330 ( 1.797 0.054 -3.892) 4.287 2.573 ( -6.803 0.803 0.029) 6.850 2.587 ( -6.366 0.127 0.042) 6.367 2.934 ( -33.083 0.086 0.149) 33.084 2.938 ( -33.326 -0.237 -0.189) 33.328 4.443 ( 14.610 0.090 0.120) 14.611 4.447 ( 13.959 -0.111 -0.066) 13.959 4.477 ( -0.518 0.394 0.062) 0.654 4.497 ( 1.693 -0.235 -0.265) 1.729 4.515 ( 0.224 0.480 0.290) 0.604 4.553 ( 1.977 -1.404 0.054) 2.426 4.646 ( -1.239 -0.090 1.264) 1.772 4.658 ( -0.990 -0.053 -1.138) 1.509 6.029 ( -2.947 0.688 0.667) 3.099 6.057 ( -3.152 -0.024 -0.573) 3.203 6.079 ( 0.050 0.457 0.316) 0.558 6.089 ( 0.583 -0.676 -0.339) 0.955 7.121 ( 3.281 0.208 0.036) 3.288 7.139 ( 3.068 -0.880 0.017) 3.192 7.882 ( -3.219 0.444 0.040) 3.250 7.885 ( -3.284 0.309 0.053) 3.299 12.248 ( 0.184 0.320 0.221) 0.430 12.250 ( 0.274 0.270 -0.157) 0.416 12.702 ( -1.290 -0.619 0.778) 1.629 12.711 ( -2.448 -0.723 -0.247) 2.565 12.774 ( 0.713 -0.188 2.234) 2.353 12.802 ( 0.514 -0.354 -2.953) 3.018 12.940 ( -0.405 4.473 0.304) 4.502 13.068 ( 0.431 -3.152 0.246) 3.191======================= Grid point 241 (94/125) =======================q-point: ( 0.44 -0.22 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.770 ( -2.421 0.961 0.000) 2.604 0.772 ( -3.027 0.202 0.000) 3.034 0.885 ( 3.151 -1.067 -0.000) 3.327 0.887 ( 4.334 -0.799 -0.000) 4.407 1.180 ( -5.572 2.296 0.000) 6.027 1.193 ( -2.905 -0.113 0.000) 2.907 1.244 ( -6.282 0.047 0.000) 6.282 1.275 ( -6.108 -2.848 -0.000) 6.739 1.414 ( 6.095 1.756 0.000) 6.343 1.418 ( 4.176 0.956 0.000) 4.285 1.570 ( -0.489 2.253 0.000) 2.305 1.613 ( -0.549 -2.705 -0.000) 2.760 1.699 ( 5.185 3.802 0.000) 6.430 1.759 ( 6.288 -2.806 -0.000) 6.886 1.868 ( 1.268 -0.224 -0.000) 1.287 1.880 ( 2.333 -0.953 -0.000) 2.520 2.178 ( -0.130 1.385 0.000) 1.391 2.191 ( -0.626 -0.123 -0.000) 0.638 2.281 ( 0.738 0.791 0.000) 1.082 2.295 ( 0.193 -1.006 -0.000) 1.024 2.669 ( -2.360 0.297 0.000) 2.378 2.673 ( -2.206 -0.101 0.000) 2.208 3.505 ( -24.550 0.109 0.000) 24.551 3.507 ( -24.442 -0.121 0.000) 24.442 4.121 ( 17.443 0.209 -0.000) 17.445 4.125 ( 17.375 -0.210 -0.000) 17.376 4.465 ( 0.884 0.560 0.000) 1.047 4.469 ( 0.652 -0.095 -0.000) 0.659 4.529 ( -0.095 0.157 0.000) 0.184 4.535 ( 0.101 -0.581 -0.000) 0.590 4.670 ( -0.692 0.295 0.000) 0.753 4.674 ( -0.961 -0.175 -0.000) 0.977 6.046 ( 1.081 0.283 0.000) 1.117 6.059 ( 1.285 -1.311 -0.000) 1.836 6.109 ( -1.944 0.712 0.000) 2.071 6.110 ( -1.988 0.499 0.000) 2.049 7.086 ( 0.756 0.529 0.000) 0.923 7.096 ( 0.775 -0.685 -0.000) 1.034 7.923 ( -0.795 0.276 0.000) 0.842 7.926 ( -0.833 -0.051 0.000) 0.835 12.245 ( 0.387 0.165 0.000) 0.421 12.245 ( 0.425 0.129 0.000) 0.444 12.722 ( -0.833 0.328 0.000) 0.896 12.737 ( -1.126 -1.580 -0.000) 1.940 12.765 ( 0.664 1.256 0.000) 1.420 12.782 ( 0.552 -0.786 -0.000) 0.961 12.988 ( -0.737 3.920 0.000) 3.989 13.044 ( -0.354 -3.068 -0.000) 3.088======================= Grid point 249 (95/125) =======================q-point: ( 0.33 -0.11 0.22)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.664 ( -2.689 3.366 0.000) 4.308 0.738 ( 0.269 2.186 0.000) 2.203 0.774 ( -8.283 8.489 0.000) 11.861 0.911 ( -0.515 -0.807 -0.000) 0.958 1.029 ( 1.751 0.937 0.000) 1.986 1.127 ( -0.962 2.682 0.000) 2.849 1.156 ( 0.595 4.280 0.000) 4.322 1.175 ( -2.843 -4.096 -0.000) 4.986 1.462 ( -0.900 1.728 0.000) 1.949 1.470 ( -0.486 0.644 0.000) 0.807 1.614 ( -0.213 -2.378 -0.000) 2.387 1.704 ( 5.062 -2.877 -0.000) 5.822 1.838 ( -0.222 2.195 0.000) 2.206 1.855 ( -7.121 0.370 0.000) 7.130 1.902 ( 1.093 1.920 0.000) 2.209 1.968 ( 1.162 -2.576 -0.000) 2.826 2.255 ( 0.026 2.526 0.000) 2.526 2.288 ( -25.834 -1.149 0.000) 25.859 2.327 ( -13.015 -1.531 0.000) 13.105 2.334 ( 0.743 -0.201 -0.000) 0.769 2.364 ( -6.411 -0.375 0.000) 6.422 2.398 ( 2.023 -0.217 -0.000) 2.034 2.429 ( -4.160 -0.131 0.000) 4.162 2.454 ( -7.026 0.203 0.000) 7.029 4.440 ( -2.537 -0.108 0.000) 2.539 4.464 ( -2.818 -0.502 -0.000) 2.862 4.558 ( 3.030 0.498 0.000) 3.071 4.604 ( -0.743 0.030 0.000) 0.744 4.611 ( 3.638 -1.239 -0.000) 3.843 4.631 ( 0.283 -0.773 -0.000) 0.823 4.690 ( 7.780 -0.498 -0.000) 7.796 4.698 ( 8.210 -0.516 -0.000) 8.227 5.957 ( -3.700 0.562 0.000) 3.742 5.993 ( -3.382 -0.499 -0.000) 3.419 6.078 ( -0.068 0.579 0.000) 0.583 6.096 ( -0.255 -0.311 -0.000) 0.402 7.206 ( 5.665 -0.098 -0.000) 5.666 7.225 ( 5.071 -1.000 -0.000) 5.169 7.794 ( -5.566 0.584 0.000) 5.597 7.799 ( -5.423 0.635 0.000) 5.460 12.250 ( 0.253 0.183 0.000) 0.313 12.251 ( 0.161 0.097 0.000) 0.188 12.650 ( -4.001 -0.237 0.000) 4.008 12.692 ( -0.976 -1.588 -0.000) 1.864 12.763 ( -2.554 1.269 0.000) 2.851 12.829 ( 2.610 -1.862 -0.000) 3.207 12.912 ( 1.089 4.392 0.000) 4.525 13.106 ( 0.630 -3.053 -0.000) 3.117======================= Grid point 258 (96/125) =======================q-point: ( 0.33 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.554 ( 0.000 10.664 0.000) 10.664 0.601 ( 0.000 6.762 0.000) 6.762 0.626 ( 0.000 6.329 0.000) 6.329 0.977 ( -0.000 -4.350 -0.000) 4.350 1.011 ( 0.000 9.387 0.000) 9.387 1.030 ( 0.000 8.355 0.000) 8.355 1.057 ( 0.000 1.700 0.000) 1.700 1.215 ( 0.000 11.394 0.000) 11.394 1.238 ( 0.000 0.112 0.000) 0.112 1.262 ( 0.000 8.334 0.000) 8.334 1.465 ( -0.000 -6.700 -0.000) 6.700 1.549 ( -0.000 -5.902 -0.000) 5.902 1.672 ( -0.000 -3.037 -0.000) 3.037 1.827 ( -0.000 -4.971 -0.000) 4.971 1.897 ( 0.000 0.943 0.000) 0.943 1.944 ( -0.000 -1.824 -0.000) 1.824 2.031 ( -0.000 -0.912 -0.000) 0.912 2.080 ( -0.000 -2.358 -0.000) 2.358 2.238 ( 0.000 1.718 0.000) 1.718 2.281 ( 0.000 0.106 0.000) 0.106 2.389 ( -0.000 -0.518 -0.000) 0.518 2.389 ( -0.000 -0.745 -0.000) 0.745 2.427 ( 0.000 2.065 0.000) 2.065 2.673 ( -0.000 -6.508 -0.000) 6.508 4.367 ( -0.000 -1.309 -0.000) 1.309 4.370 ( -0.000 -1.342 -0.000) 1.342 4.557 ( 0.000 1.004 0.000) 1.004 4.621 ( -0.000 -1.077 -0.000) 1.077 4.641 ( 0.000 0.240 0.000) 0.240 4.686 ( -0.000 -2.111 -0.000) 2.111 4.847 ( 0.000 0.260 0.000) 0.260 4.849 ( -0.000 -0.085 -0.000) 0.085 5.868 ( -0.000 -0.385 -0.000) 0.385 5.900 ( -0.000 -1.718 -0.000) 1.718 6.072 ( 0.000 1.016 0.000) 1.016 6.090 ( 0.000 0.252 0.000) 0.252 7.434 ( -0.000 -0.275 -0.000) 0.275 7.435 ( -0.000 -0.346 -0.000) 0.346 7.566 ( 0.000 0.677 0.000) 0.677 7.576 ( 0.000 0.713 0.000) 0.713 12.258 ( -0.000 -0.198 -0.000) 0.198 12.261 ( -0.000 -0.291 -0.000) 0.291 12.527 ( 0.000 2.474 0.000) 2.474 12.663 ( -0.000 -2.846 -0.000) 2.846 12.692 ( 0.000 3.694 0.000) 3.694 12.917 ( -0.000 -5.262 -0.000) 5.262 12.948 ( 0.000 4.571 0.000) 4.571 13.100 ( -0.000 -1.531 -0.000) 1.531======================= Grid point 259 (97/125) =======================q-point: ( 0.44 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.650 ( -2.335 4.448 1.100) 5.143 0.717 ( -4.680 9.272 -0.662) 10.407 0.726 ( -3.503 0.886 0.729) 3.686 0.916 ( 1.155 -2.105 -0.905) 2.566 1.048 ( 0.338 0.884 -2.622) 2.788 1.091 ( -2.140 -1.004 1.164) 2.635 1.190 ( 0.077 7.888 1.197) 7.979 1.235 ( 2.146 6.764 0.636) 7.125 1.396 ( -10.040 4.615 0.688) 11.071 1.440 ( -3.391 1.708 1.261) 4.001 1.539 ( -13.573 -3.872 -0.570) 14.126 1.567 ( -11.317 -5.024 0.356) 12.387 1.667 ( -6.915 0.818 -0.698) 6.998 1.757 ( 2.181 -3.384 -0.464) 4.053 1.915 ( -0.893 -0.204 -0.150) 0.928 1.949 ( -1.157 -1.725 0.329) 2.103 2.008 ( 0.206 0.717 0.132) 0.758 2.071 ( -2.631 -2.529 -0.094) 3.651 2.298 ( -4.550 1.423 0.333) 4.779 2.320 ( -3.282 0.120 0.180) 3.289 2.368 ( 0.903 -0.095 -1.996) 2.193 2.393 ( 0.451 -0.184 2.972) 3.012 2.404 ( 3.702 2.121 0.500) 4.296 2.538 ( 7.528 -4.914 -0.689) 9.016 4.386 ( -2.473 -0.614 -0.155) 2.553 4.394 ( -3.226 -1.005 0.122) 3.381 4.576 ( -0.832 0.976 0.143) 1.291 4.615 ( -0.143 -0.932 -0.221) 0.969 4.624 ( 1.621 0.227 0.312) 1.666 4.651 ( 1.953 -1.578 -0.151) 2.515 4.808 ( 4.246 -0.058 -0.153) 4.249 4.813 ( 4.018 -0.208 0.230) 4.030 5.894 ( -2.775 0.113 -0.113) 2.779 5.919 ( -3.047 -1.346 0.107) 3.333 6.081 ( -0.088 0.763 -0.125) 0.779 6.093 ( -0.149 0.100 0.124) 0.218 7.329 ( 7.141 -0.107 -0.039) 7.142 7.334 ( 6.775 -0.365 0.041) 6.785 7.675 ( -7.108 0.507 -0.145) 7.127 7.683 ( -7.067 0.280 0.338) 7.081 12.253 ( 0.298 -0.093 -0.293) 0.428 12.257 ( 0.205 -0.067 0.479) 0.525 12.582 ( -3.160 1.666 0.216) 3.579 12.654 ( -1.209 -2.620 0.115) 2.888 12.738 ( -1.511 3.327 -0.756) 3.732 12.854 ( 1.588 -3.424 -0.333) 3.789 12.972 ( 1.304 4.146 0.686) 4.400 13.086 ( 0.114 -2.938 -0.056) 2.941======================= Grid point 260 (98/125) =======================q-point: ( 0.56 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.708 ( -0.143 2.482 -0.940) 2.658 0.752 ( -0.086 -1.018 0.277) 1.059 0.839 ( -2.848 2.526 -4.700) 6.048 0.942 ( -4.079 2.015 2.967) 5.431 1.029 ( 0.385 0.132 -1.819) 1.864 1.107 ( -0.521 -1.556 -0.264) 1.662 1.182 ( 2.352 0.923 3.986) 4.720 1.201 ( 3.265 -0.007 1.571) 3.623 1.494 ( -1.608 3.152 -0.801) 3.628 1.523 ( -1.850 2.588 2.181) 3.857 1.578 ( -0.161 -0.791 -0.995) 1.282 1.637 ( 2.611 -4.957 0.212) 5.607 1.831 ( -0.983 -0.383 -2.528) 2.740 1.880 ( -3.349 0.642 2.473) 4.212 1.930 ( -0.689 1.043 -0.279) 1.281 1.940 ( 1.047 -0.595 -0.370) 1.260 2.267 ( -12.319 0.153 -1.176) 12.376 2.283 ( -2.991 0.833 -1.077) 3.286 2.300 ( -14.283 -0.785 -1.324) 14.366 2.340 ( -11.735 0.179 -0.945) 11.774 2.363 ( 0.328 -0.348 0.472) 0.672 2.387 ( -0.656 -1.324 3.539) 3.835 2.444 ( -6.910 0.973 0.559) 7.001 2.455 ( -6.729 -0.368 0.399) 6.751 4.441 ( -3.100 0.255 -0.261) 3.122 4.454 ( -3.196 -0.540 0.277) 3.253 4.568 ( 3.012 0.818 -0.388) 3.145 4.590 ( 2.872 -1.080 0.060) 3.069 4.604 ( -0.330 0.059 -0.668) 0.747 4.624 ( 0.592 -0.375 1.022) 1.239 4.686 ( 7.918 0.045 -0.095) 7.919 4.690 ( 8.136 -0.393 -0.095) 8.146 5.961 ( -3.869 0.290 -1.012) 4.010 5.986 ( -4.209 -0.509 0.896) 4.334 6.083 ( 0.184 0.301 -0.555) 0.658 6.097 ( 0.116 -0.029 0.585) 0.597 7.207 ( 5.515 0.163 0.001) 5.518 7.212 ( 5.333 -0.553 -0.079) 5.362 7.800 ( -5.621 0.285 -0.223) 5.633 7.806 ( -5.308 0.162 0.290) 5.319 12.249 ( -0.013 0.048 -0.316) 0.320 12.257 ( 0.127 0.088 0.524) 0.547 12.652 ( -2.846 0.523 -0.076) 2.895 12.668 ( -1.883 -1.176 -0.151) 2.225 12.760 ( -0.268 0.224 -3.160) 3.179 12.831 ( 0.483 -0.192 3.653) 3.690 12.981 ( 0.940 4.264 -0.300) 4.377 13.048 ( 0.737 -3.892 -0.340) 3.975======================= Grid point 261 (99/125) =======================q-point: ( 0.67 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.703 ( -0.846 0.000 -1.987) 2.159 0.743 ( 0.133 0.000 -2.611) 2.615 0.855 ( -0.059 0.000 -2.665) 2.666 1.009 ( 1.206 -0.000 3.469) 3.673 1.058 ( -4.232 0.000 -3.008) 5.193 1.095 ( -1.780 0.000 -3.907) 4.294 1.207 ( -3.366 -0.000 3.713) 5.011 1.215 ( -2.353 -0.000 7.452) 7.815 1.499 ( 2.568 0.000 -1.200) 2.835 1.524 ( 6.062 -0.000 -0.054) 6.062 1.567 ( -0.148 0.000 -1.498) 1.505 1.585 ( -1.381 -0.000 1.039) 1.728 1.784 ( 2.818 0.000 -2.509) 3.773 1.856 ( 4.821 -0.000 0.944) 4.913 1.913 ( 3.233 -0.000 -0.193) 3.239 1.927 ( 0.791 -0.000 1.536) 1.728 2.169 ( 3.165 0.000 -3.654) 4.834 2.193 ( 3.672 0.000 -3.679) 5.198 2.286 ( 1.896 -0.000 0.413) 1.941 2.371 ( 2.248 -0.000 4.097) 4.674 2.580 ( -6.510 0.000 -0.361) 6.520 2.585 ( -6.411 0.000 0.003) 6.411 2.932 ( -33.304 0.000 -0.212) 33.305 2.940 ( -33.036 0.000 0.348) 33.038 4.442 ( 14.841 -0.000 -0.249) 14.843 4.447 ( 13.887 -0.000 0.029) 13.887 4.482 ( 1.194 -0.000 -0.118) 1.199 4.496 ( -0.793 -0.000 0.651) 1.027 4.519 ( 0.780 0.000 -1.078) 1.331 4.538 ( 1.718 -0.000 0.272) 1.739 4.632 ( -1.261 0.000 -1.404) 1.887 4.667 ( -0.996 -0.000 0.908) 1.347 6.024 ( -3.030 0.000 -1.404) 3.340 6.056 ( -1.381 -0.000 0.414) 1.442 6.084 ( -1.613 0.000 0.235) 1.631 6.092 ( 0.569 -0.000 0.491) 0.751 7.122 ( 3.403 -0.000 -0.403) 3.427 7.132 ( 2.831 -0.000 0.268) 2.844 7.885 ( -2.915 0.000 -0.219) 2.923 7.887 ( -3.368 0.000 -0.101) 3.369 12.248 ( 0.088 0.000 -0.302) 0.315 12.254 ( 0.472 -0.000 0.078) 0.479 12.688 ( -1.598 0.000 -1.066) 1.921 12.699 ( -1.257 0.000 -1.096) 1.668 12.762 ( -1.202 0.000 -0.504) 1.303 12.828 ( 1.539 -0.000 3.214) 3.563 12.996 ( 0.923 0.000 -1.254) 1.558 13.013 ( -0.904 0.000 -0.324) 0.961======================= Grid point 269 (100/125) =======================q-point: ( 0.44 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.575 ( -0.000 11.067 4.089) 11.798 0.603 ( -0.000 5.600 0.629) 5.636 0.634 ( -0.000 6.461 1.635) 6.665 0.946 ( 0.000 -3.498 -5.910) 6.868 0.969 ( -0.000 8.158 -5.171) 9.659 1.051 ( -0.000 1.825 -1.677) 2.479 1.081 ( -0.000 9.183 7.229) 11.687 1.219 ( -0.000 8.239 0.726) 8.271 1.252 ( -0.000 2.689 2.828) 3.902 1.267 ( -0.000 8.357 0.926) 8.408 1.470 ( 0.000 -6.410 0.994) 6.486 1.550 ( 0.000 -5.581 0.272) 5.587 1.657 ( 0.000 -2.909 -2.841) 4.066 1.813 ( 0.000 -4.414 -2.796) 5.225 1.903 ( -0.000 0.721 1.245) 1.439 1.947 ( 0.000 -1.658 0.538) 1.743 2.033 ( 0.000 -0.877 0.291) 0.924 2.075 ( 0.000 -1.980 -0.842) 2.152 2.241 ( -0.000 1.693 0.776) 1.862 2.281 ( -0.000 0.196 0.115) 0.227 2.399 ( 0.000 -0.698 2.061) 2.176 2.401 ( 0.000 -1.196 2.371) 2.655 2.430 ( -0.000 1.919 0.509) 1.985 2.663 ( 0.000 -6.319 -2.142) 6.672 4.367 ( 0.000 -1.281 -0.044) 1.282 4.370 ( 0.000 -1.315 -0.051) 1.316 4.560 ( -0.000 1.010 0.550) 1.150 4.620 ( 0.000 -0.941 -0.235) 0.970 4.641 ( -0.000 0.221 -0.006) 0.221 4.684 ( 0.000 -2.038 -0.454) 2.088 4.848 ( -0.000 0.257 0.135) 0.291 4.850 ( 0.000 -0.098 0.249) 0.268 5.870 ( 0.000 -0.468 0.289) 0.550 5.899 ( 0.000 -1.697 -0.169) 1.705 6.073 ( -0.000 1.018 0.076) 1.021 6.089 ( -0.000 0.326 -0.213) 0.390 7.434 ( 0.000 -0.274 0.011) 0.274 7.435 ( 0.000 -0.340 -0.010) 0.341 7.568 ( -0.000 0.637 0.435) 0.772 7.577 ( -0.000 0.723 0.155) 0.739 12.259 ( 0.000 -0.138 0.130) 0.190 12.261 ( 0.000 -0.223 0.083) 0.238 12.530 ( -0.000 2.510 0.747) 2.618 12.666 ( 0.000 -2.885 0.283) 2.899 12.687 ( -0.000 3.828 -0.818) 3.915 12.890 ( 0.000 -2.453 -4.047) 4.732 12.972 ( -0.000 1.776 3.520) 3.942 13.099 ( 0.000 -1.322 -0.298) 1.355======================= Grid point 270 (101/125) =======================q-point: ( 0.56 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( -1.265 4.334 0.234) 4.521 0.715 ( -3.497 6.543 1.133) 7.505 0.738 ( -3.370 1.937 2.267) 4.500 0.899 ( -0.785 -1.695 -2.579) 3.184 1.023 ( -0.422 1.039 -2.510) 2.749 1.085 ( -2.057 1.847 -2.790) 3.928 1.215 ( -0.123 5.798 3.872) 6.973 1.248 ( 2.043 6.983 2.361) 7.649 1.406 ( -7.581 3.660 1.338) 8.524 1.463 ( -4.480 2.304 3.517) 6.144 1.529 ( -11.777 -3.325 -1.544) 12.334 1.573 ( -11.626 -4.843 0.824) 12.621 1.656 ( -8.640 0.842 -1.565) 8.821 1.748 ( 1.632 -3.050 -1.538) 3.785 1.913 ( -0.492 -0.246 -0.025) 0.550 1.953 ( -0.671 -1.363 0.363) 1.562 2.010 ( 0.170 0.685 0.367) 0.796 2.070 ( -2.591 -1.817 -0.114) 3.167 2.304 ( -4.499 1.361 0.802) 4.768 2.324 ( -3.193 0.198 0.528) 3.243 2.357 ( 2.070 -0.286 -0.367) 2.122 2.402 ( 3.964 1.347 0.204) 4.192 2.430 ( -0.262 -0.358 3.923) 3.948 2.526 ( 7.121 -4.638 -1.899) 8.708 4.384 ( -2.519 -0.729 -0.271) 2.636 4.396 ( -3.155 -0.783 0.180) 3.256 4.578 ( -0.628 0.798 0.381) 1.084 4.613 ( 0.623 -0.212 -0.266) 0.710 4.628 ( 0.689 -0.305 0.527) 0.919 4.648 ( 1.909 -1.431 -0.414) 2.422 4.807 ( 4.339 -0.012 -0.162) 4.342 4.816 ( 4.097 -0.244 0.348) 4.119 5.893 ( -2.529 -0.105 -0.251) 2.543 5.921 ( -3.253 -1.175 0.235) 3.466 6.079 ( 0.075 0.692 -0.243) 0.738 6.095 ( -0.336 0.217 0.243) 0.468 7.329 ( 7.136 -0.137 -0.075) 7.138 7.334 ( 6.832 -0.324 0.078) 6.840 7.674 ( -6.977 0.476 -0.104) 6.994 7.687 ( -7.092 0.292 0.585) 7.122 12.251 ( 0.429 -0.061 -0.103) 0.445 12.262 ( 0.124 0.037 0.577) 0.591 12.586 ( -2.916 1.739 0.640) 3.455 12.655 ( -0.897 -2.254 0.083) 2.427 12.726 ( -1.128 2.396 -1.601) 3.094 12.849 ( -0.113 -2.004 -0.883) 2.193 12.983 ( 1.986 3.205 1.629) 4.107 13.085 ( 0.280 -2.569 -0.185) 2.591======================= Grid point 271 (102/125) =======================q-point: ( 0.67 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.695 ( 0.279 2.691 -2.338) 3.575 0.733 ( 0.119 -1.815 -3.696) 4.120 0.830 ( -1.264 2.173 2.537) 3.572 0.953 ( -4.563 1.857 -0.073) 4.927 1.022 ( -0.131 0.286 -0.251) 0.402 1.089 ( 0.761 -0.342 -3.002) 3.116 1.214 ( 1.926 -0.191 1.816) 2.654 1.241 ( 1.620 0.548 7.282) 7.480 1.488 ( -1.130 3.512 -0.621) 3.741 1.541 ( -0.887 2.366 1.012) 2.722 1.567 ( -1.295 -1.721 -0.908) 2.337 1.641 ( 3.290 -3.601 0.740) 4.934 1.810 ( -0.436 -0.856 -1.974) 2.196 1.899 ( -3.956 1.592 1.583) 4.549 1.928 ( -1.181 0.536 0.011) 1.296 1.934 ( 1.391 -0.533 -0.840) 1.710 2.251 ( 1.168 1.202 -1.873) 2.514 2.270 ( -5.599 -0.155 -1.410) 5.776 2.299 ( -17.696 -1.594 0.492) 17.774 2.330 ( -18.246 -0.186 -1.217) 18.287 2.364 ( 0.830 -0.052 -0.041) 0.833 2.419 ( -2.488 -0.613 3.117) 4.035 2.451 ( -6.188 0.723 0.936) 6.300 2.460 ( -5.314 -0.340 0.764) 5.379 4.438 ( -3.211 0.037 -0.245) 3.221 4.457 ( -3.135 -0.224 0.267) 3.154 4.564 ( 3.285 0.362 -0.522) 3.346 4.591 ( 2.636 -0.525 -0.009) 2.687 4.599 ( -0.372 -0.257 -0.524) 0.693 4.635 ( 1.025 -0.207 1.234) 1.618 4.684 ( 7.373 0.033 -0.323) 7.380 4.689 ( 8.688 -0.376 -0.104) 8.697 5.951 ( -3.659 0.056 -0.955) 3.782 5.994 ( -4.374 -0.312 0.778) 4.454 6.078 ( 0.233 0.238 -0.477) 0.581 6.102 ( 0.077 0.043 0.522) 0.529 7.207 ( 5.499 0.100 0.014) 5.500 7.211 ( 5.383 -0.480 -0.132) 5.407 7.798 ( -5.661 0.253 -0.169) 5.669 7.809 ( -5.070 0.172 0.269) 5.080 12.246 ( 0.026 0.048 -0.168) 0.177 12.261 ( 0.290 0.123 0.492) 0.584 12.651 ( -2.338 0.322 -0.107) 2.362 12.665 ( -1.670 -0.835 -0.438) 1.918 12.734 ( -0.800 -0.120 -2.352) 2.488 12.864 ( -0.046 0.343 3.549) 3.566 12.976 ( 1.159 3.668 -0.683) 3.907 13.044 ( 1.121 -3.536 -0.544) 3.750======================= Grid point 272 (103/125) =======================q-point: ( 0.78 0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.688 ( -0.808 0.000 -1.410) 1.625 0.698 ( 0.396 0.000 -6.119) 6.132 0.856 ( 0.275 -0.000 2.049) 2.068 1.024 ( -0.623 0.000 -0.041) 0.625 1.043 ( -2.537 0.000 -0.122) 2.540 1.060 ( -1.688 0.000 -3.662) 4.032 1.238 ( -3.984 -0.000 2.841) 4.893 1.285 ( -1.716 -0.000 7.866) 8.051 1.489 ( 2.388 0.000 -1.030) 2.600 1.520 ( 7.875 -0.000 -0.584) 7.896 1.547 ( -0.216 0.000 -2.923) 2.931 1.596 ( -1.630 -0.000 1.325) 2.101 1.766 ( 2.321 0.000 -1.224) 2.624 1.856 ( 4.940 -0.000 -0.618) 4.979 1.911 ( 3.775 -0.000 -0.214) 3.781 1.945 ( 0.359 -0.000 2.129) 2.159 2.135 ( 3.134 0.000 -3.536) 4.725 2.157 ( 4.189 0.000 -3.702) 5.590 2.294 ( 2.200 -0.000 0.910) 2.381 2.404 ( 2.685 -0.000 3.034) 4.051 2.577 ( -6.538 0.000 -0.397) 6.550 2.585 ( -6.338 0.000 -0.083) 6.338 2.930 ( -33.292 0.000 -0.122) 33.292 2.943 ( -32.887 0.000 0.274) 32.888 4.440 ( 14.949 -0.000 -0.183) 14.950 4.447 ( 13.396 -0.000 -0.044) 13.396 4.483 ( 2.027 -0.000 0.202) 2.037 4.501 ( -1.177 -0.000 0.525) 1.289 4.509 ( 0.582 0.000 -1.116) 1.258 4.540 ( 2.085 -0.000 0.064) 2.086 4.620 ( -1.265 0.000 -1.143) 1.705 4.674 ( -0.864 -0.000 0.570) 1.035 6.013 ( -2.998 0.000 -1.110) 3.197 6.057 ( -0.318 0.000 -0.054) 0.323 6.087 ( -2.782 0.000 0.483) 2.823 6.096 ( 0.716 -0.000 0.381) 0.811 7.119 ( 3.555 -0.000 -0.324) 3.570 7.134 ( 2.680 -0.000 0.171) 2.685 7.883 ( -2.707 0.000 -0.229) 2.717 7.885 ( -3.399 0.000 -0.134) 3.402 12.245 ( 0.134 0.000 -0.263) 0.295 12.254 ( 0.713 -0.000 0.009) 0.713 12.678 ( -1.382 0.000 -0.875) 1.636 12.686 ( -0.891 0.000 -1.504) 1.748 12.763 ( -2.316 0.000 0.380) 2.347 12.856 ( 2.154 -0.000 2.852) 3.573 12.985 ( 1.637 0.000 -1.199) 2.029 13.007 ( -1.461 0.000 -0.827) 1.679======================= Grid point 280 (104/125) =======================q-point: ( 0.56 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.601 ( -0.000 7.719 1.475) 7.858 0.640 ( -0.000 7.018 7.419) 10.213 0.655 ( -0.000 6.739 2.917) 7.343 0.881 ( 0.000 -2.220 -7.675) 7.989 0.921 ( -0.000 7.436 -5.327) 9.147 1.023 ( -0.000 2.584 -4.572) 5.252 1.152 ( -0.000 8.249 7.880) 11.407 1.228 ( -0.000 5.164 1.244) 5.311 1.278 ( -0.000 8.838 1.373) 8.944 1.282 ( -0.000 5.087 3.412) 6.126 1.482 ( 0.000 -5.636 1.630) 5.867 1.553 ( 0.000 -4.316 0.380) 4.333 1.627 ( 0.000 -3.228 -3.288) 4.608 1.778 ( 0.000 -3.507 -4.663) 5.835 1.917 ( -0.000 0.634 1.518) 1.645 1.951 ( 0.000 -1.187 0.369) 1.243 2.036 ( -0.000 -0.757 0.521) 0.919 2.067 ( -0.000 -1.244 -0.966) 1.575 2.251 ( 0.000 1.634 1.194) 2.023 2.282 ( 0.000 0.440 0.032) 0.442 2.423 ( -0.000 -0.954 2.861) 3.016 2.429 ( -0.000 -2.246 3.733) 4.356 2.437 ( -0.000 1.542 1.073) 1.879 2.635 ( -0.000 -5.860 -3.809) 6.989 4.366 ( -0.000 -1.209 -0.055) 1.211 4.369 ( -0.000 -1.242 -0.105) 1.247 4.567 ( 0.000 1.002 1.004) 1.418 4.617 ( 0.000 -0.576 -0.520) 0.776 4.641 ( -0.000 0.111 0.179) 0.211 4.678 ( -0.000 -1.823 -0.820) 1.999 4.850 ( -0.000 0.241 0.238) 0.339 4.853 ( -0.000 -0.105 0.306) 0.324 5.873 ( 0.000 -0.679 0.497) 0.841 5.897 ( 0.000 -1.634 -0.323) 1.665 6.074 ( -0.000 1.021 0.145) 1.031 6.087 ( -0.000 0.506 -0.339) 0.609 7.434 ( 0.000 -0.273 0.020) 0.274 7.435 ( 0.000 -0.327 -0.018) 0.327 7.573 ( 0.000 0.572 0.605) 0.833 7.578 ( 0.000 0.739 0.247) 0.779 12.261 ( 0.000 0.014 0.204) 0.204 12.263 ( 0.000 -0.051 0.128) 0.138 12.540 ( 0.000 2.602 1.452) 2.979 12.657 ( 0.000 0.670 -2.266) 2.363 12.690 ( 0.000 0.479 1.631) 1.700 12.851 ( 0.000 -1.803 -4.324) 4.685 13.003 ( 0.000 1.152 3.309) 3.503 13.094 ( 0.000 -0.800 -0.672) 1.044======================= Grid point 281 (105/125) =======================q-point: ( 0.67 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( -0.310 3.755 -1.437) 4.033 0.728 ( -0.642 1.487 0.526) 1.703 0.776 ( -3.546 4.863 6.016) 8.509 0.878 ( -2.854 -0.126 -1.336) 3.154 0.998 ( -1.553 1.131 -3.034) 3.591 1.046 ( -2.718 3.505 -5.312) 6.921 1.244 ( 0.175 4.629 2.210) 5.133 1.285 ( 1.338 7.248 5.383) 9.127 1.418 ( -5.007 2.117 1.118) 5.550 1.501 ( -5.106 2.686 4.696) 7.439 1.512 ( -9.423 -2.006 -2.278) 9.900 1.581 ( -11.689 -3.881 0.984) 12.356 1.641 ( -11.000 -0.064 -1.570) 11.112 1.729 ( 0.517 -2.185 -2.596) 3.432 1.915 ( 0.222 -0.321 0.266) 0.472 1.955 ( -0.021 -0.890 -0.000) 0.891 2.014 ( -0.023 0.693 0.425) 0.814 2.070 ( -2.353 -0.774 0.065) 2.478 2.311 ( -4.326 1.319 0.763) 4.586 2.329 ( -3.871 0.460 0.571) 3.940 2.360 ( 3.822 -1.004 0.968) 4.068 2.405 ( 4.471 0.451 0.418) 4.513 2.464 ( -0.484 -0.702 3.155) 3.268 2.505 ( 6.144 -4.151 -2.433) 7.804 4.381 ( -2.523 -0.787 -0.227) 2.653 4.397 ( -3.109 -0.554 0.114) 3.160 4.582 ( -0.291 0.479 0.473) 0.733 4.611 ( 0.973 0.209 -0.126) 1.003 4.633 ( 0.083 -0.423 0.487) 0.651 4.644 ( 1.819 -1.185 -0.547) 2.239 4.805 ( 4.516 0.027 -0.107) 4.517 4.819 ( 4.182 -0.266 0.303) 4.201 5.890 ( -2.232 -0.352 -0.245) 2.273 5.923 ( -3.488 -0.996 0.226) 3.634 6.077 ( 0.228 0.654 -0.215) 0.725 6.097 ( -0.525 0.324 0.217) 0.654 7.328 ( 7.155 -0.158 -0.064) 7.157 7.335 ( 6.890 -0.287 0.067) 6.897 7.673 ( -6.846 0.468 -0.005) 6.862 7.692 ( -7.065 0.278 0.538) 7.091 12.251 ( 0.546 0.015 0.027) 0.547 12.267 ( 0.082 0.169 0.517) 0.550 12.594 ( -2.451 1.857 1.031) 3.243 12.653 ( -0.587 -1.067 -0.680) 1.395 12.713 ( -0.573 0.514 -1.061) 1.311 12.839 ( -2.242 -0.468 -1.085) 2.534 12.999 ( 2.715 2.173 1.766) 3.901 13.083 ( 0.490 -1.968 -0.316) 2.053======================= Grid point 282 (106/125) =======================q-point: ( 0.78 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( -0.416 1.187 -4.313) 4.493 0.710 ( 1.967 -0.676 -1.185) 2.394 0.866 ( -0.308 1.801 4.689) 5.032 0.952 ( -4.043 1.667 0.142) 4.375 1.013 ( -0.457 1.894 -1.986) 2.782 1.061 ( -0.021 -1.542 -2.815) 3.210 1.229 ( 1.494 -0.636 1.325) 2.095 1.312 ( 1.021 1.388 7.935) 8.120 1.479 ( -0.825 3.492 -1.722) 3.980 1.529 ( 0.070 0.495 -2.507) 2.556 1.573 ( -2.126 -1.550 1.330) 2.948 1.650 ( 4.269 -1.357 1.224) 4.643 1.795 ( -0.466 -1.365 -1.204) 1.879 1.907 ( -3.274 2.327 0.362) 4.033 1.925 ( 1.766 -0.088 -0.957) 2.010 1.931 ( -2.681 -0.068 0.625) 2.753 2.238 ( 4.521 0.924 -1.022) 4.726 2.257 ( 0.095 -0.832 -1.308) 1.553 2.304 ( -20.391 -1.452 0.625) 20.452 2.320 ( -23.907 -0.195 -0.753) 23.920 2.363 ( 2.091 0.386 -0.176) 2.134 2.440 ( -6.370 -0.393 1.446) 6.544 2.458 ( -7.204 0.308 0.355) 7.219 2.471 ( -0.414 -0.265 1.546) 1.622 4.437 ( -3.328 -0.095 -0.142) 3.332 4.459 ( -3.078 0.036 0.158) 3.083 4.559 ( 3.566 -0.021 -0.417) 3.590 4.590 ( 1.819 -0.055 -0.123) 1.824 4.595 ( 0.318 -0.493 -0.252) 0.638 4.646 ( 1.111 -0.128 1.259) 1.684 4.680 ( 7.038 -0.019 -0.652) 7.068 4.688 ( 9.281 -0.322 -0.032) 9.287 5.944 ( -3.498 -0.056 -0.654) 3.559 6.000 ( -4.483 -0.241 0.499) 4.517 6.075 ( 0.268 0.220 -0.310) 0.465 6.106 ( 0.051 0.070 0.350) 0.360 7.207 ( 5.456 0.004 0.044) 5.456 7.210 ( 5.466 -0.374 -0.148) 5.481 7.797 ( -5.651 0.236 -0.098) 5.657 7.811 ( -4.855 0.163 0.184) 4.861 12.245 ( 0.096 0.054 -0.061) 0.126 12.265 ( 0.451 0.156 0.351) 0.592 12.651 ( -1.786 0.122 -0.075) 1.792 12.660 ( -1.194 -0.460 -0.660) 1.440 12.718 ( -1.696 -0.335 -1.202) 2.106 12.895 ( -0.912 1.028 3.070) 3.364 12.968 ( 1.681 2.558 -1.148) 3.269 13.039 ( 1.631 -2.973 -0.494) 3.427======================= Grid point 283 (107/125) =======================q-point: ( 0.89 0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.648 ( 0.400 0.000 -4.147) 4.166 0.678 ( -0.779 0.000 -0.728) 1.066 0.878 ( 1.293 -0.000 2.259) 2.602 1.022 ( -2.338 0.000 -0.067) 2.339 1.030 ( -2.238 0.000 -2.626) 3.451 1.043 ( -1.019 0.000 -0.217) 1.042 1.258 ( -4.263 -0.000 1.505) 4.521 1.354 ( -0.710 -0.000 6.906) 6.942 1.480 ( 1.274 0.000 -1.100) 1.683 1.515 ( 0.228 0.000 -3.620) 3.628 1.515 ( 9.246 -0.000 -0.435) 9.256 1.606 ( -1.763 -0.000 0.752) 1.916 1.761 ( 1.895 -0.000 -0.138) 1.900 1.849 ( 4.819 -0.000 -0.757) 4.878 1.910 ( 4.338 -0.000 -0.174) 4.341 1.962 ( 0.164 -0.000 1.477) 1.486 2.108 ( 3.056 0.000 -2.262) 3.802 2.130 ( 4.917 0.000 -2.174) 5.376 2.301 ( 2.357 -0.000 0.545) 2.419 2.425 ( 3.083 -0.000 1.632) 3.488 2.573 ( -6.614 0.000 -0.287) 6.620 2.584 ( -6.279 0.000 -0.079) 6.279 2.929 ( -33.266 0.000 -0.052) 33.266 2.945 ( -32.774 0.000 0.150) 32.775 4.438 ( 15.033 -0.000 -0.093) 15.033 4.446 ( 13.289 -0.000 -0.031) 13.289 4.486 ( 2.343 -0.000 0.458) 2.387 4.499 ( 0.499 0.000 -0.967) 1.088 4.505 ( -1.503 0.000 0.294) 1.531 4.540 ( 2.413 -0.000 -0.017) 2.413 4.612 ( -1.256 0.000 -0.646) 1.412 4.678 ( -0.768 -0.000 0.266) 0.813 6.005 ( -2.953 0.000 -0.611) 3.016 6.056 ( 0.114 0.000 -0.108) 0.157 6.091 ( -3.274 0.000 0.318) 3.290 6.099 ( 0.796 -0.000 0.206) 0.822 7.116 ( 3.654 -0.000 -0.181) 3.659 7.135 ( 2.581 -0.000 0.081) 2.582 7.881 ( -2.552 0.000 -0.146) 2.556 7.884 ( -3.399 0.000 -0.092) 3.400 12.243 ( 0.201 0.000 -0.152) 0.252 12.254 ( 0.900 -0.000 -0.013) 0.900 12.672 ( -1.229 0.000 -0.489) 1.322 12.674 ( -0.838 0.000 -0.942) 1.261 12.767 ( -2.945 0.000 0.375) 2.969 12.878 ( 2.815 -0.000 1.830) 3.358 12.976 ( 2.218 0.000 -0.739) 2.338 12.999 ( -2.071 0.000 -0.801) 2.220======================= Grid point 285 (108/125) =======================q-point: ( 0.00 -0.67 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.628 ( 0.407 -0.000 -0.000) 0.407 0.674 ( -0.771 0.000 0.000) 0.771 0.890 ( 1.980 -0.000 -0.000) 1.980 1.017 ( -2.756 0.000 0.000) 2.756 1.023 ( -2.600 0.000 0.000) 2.600 1.041 ( -0.837 0.000 0.000) 0.837 1.265 ( -4.337 0.000 0.000) 4.337 1.395 ( 0.696 -0.000 -0.000) 0.696 1.469 ( -2.377 0.000 0.000) 2.377 1.496 ( 2.588 -0.000 -0.000) 2.588 1.513 ( 9.782 -0.000 -0.000) 9.782 1.610 ( -1.841 0.000 0.000) 1.841 1.761 ( 1.707 -0.000 -0.000) 1.707 1.845 ( 4.780 -0.000 -0.000) 4.780 1.909 ( 4.622 -0.000 -0.000) 4.622 1.969 ( 0.040 -0.000 -0.000) 0.040 2.097 ( 2.999 -0.000 -0.000) 2.999 2.119 ( 5.279 -0.000 -0.000) 5.279 2.303 ( 2.407 -0.000 -0.000) 2.407 2.433 ( 3.257 -0.000 -0.000) 3.257 2.572 ( -6.665 0.000 0.000) 6.665 2.584 ( -6.256 0.000 0.000) 6.256 2.929 ( -33.253 0.000 0.000) 33.253 2.946 ( -32.733 0.000 0.000) 32.733 4.438 ( 15.066 -0.000 -0.000) 15.066 4.446 ( 13.342 -0.000 -0.000) 13.342 4.490 ( 5.132 -0.000 -0.000) 5.132 4.492 ( -2.291 0.000 0.000) 2.291 4.507 ( -1.642 0.000 0.000) 1.642 4.540 ( 2.556 -0.000 -0.000) 2.556 4.609 ( -1.252 0.000 0.000) 1.252 4.679 ( -0.733 0.000 0.000) 0.733 6.002 ( -2.934 0.000 0.000) 2.934 6.056 ( 0.218 -0.000 -0.000) 0.218 6.093 ( -3.398 0.000 0.000) 3.398 6.100 ( 0.823 -0.000 -0.000) 0.823 7.115 ( 3.689 -0.000 -0.000) 3.689 7.136 ( 2.547 -0.000 -0.000) 2.547 7.880 ( -2.494 0.000 0.000) 2.494 7.884 ( -3.395 0.000 0.000) 3.395 12.242 ( 0.231 -0.000 -0.000) 0.231 12.254 ( 0.970 -0.000 -0.000) 0.970 12.670 ( -0.848 0.000 0.000) 0.848 12.670 ( -1.173 0.000 0.000) 1.173 12.768 ( -3.159 0.000 0.000) 3.159 12.887 ( 3.180 -0.000 -0.000) 3.180 12.972 ( 2.449 -0.000 -0.000) 2.449 12.995 ( -2.415 0.000 0.000) 2.415======================= Grid point 294 (109/125) =======================q-point: ( 0.67 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.620 ( -0.000 4.780 2.999) 5.643 0.684 ( 0.000 6.530 2.972) 7.175 0.716 ( 0.000 7.823 8.645) 11.659 0.813 ( 0.000 -0.036 -6.740) 6.740 0.873 ( -0.000 6.429 -4.905) 8.086 0.970 ( 0.000 3.202 -6.723) 7.446 1.216 ( 0.000 4.995 5.640) 7.533 1.240 ( 0.000 3.525 1.296) 3.755 1.292 ( 0.000 10.696 1.831) 10.851 1.309 ( 0.000 6.938 2.248) 7.293 1.498 ( -0.000 -4.524 1.903) 4.908 1.552 ( -0.000 -1.794 -0.993) 2.051 1.609 ( 0.000 -4.817 -0.027) 4.817 1.730 ( -0.000 -2.813 -5.820) 6.464 1.930 ( 0.000 0.631 1.369) 1.507 1.952 ( -0.000 -0.571 -0.128) 0.585 2.042 ( 0.000 -0.559 0.625) 0.838 2.059 ( -0.000 -0.657 -0.723) 0.977 2.262 ( 0.000 1.532 1.187) 1.938 2.281 ( -0.000 0.762 -0.204) 0.789 2.447 ( -0.000 -0.866 2.170) 2.336 2.448 ( 0.000 0.992 1.358) 1.682 2.466 ( -0.000 -3.359 4.261) 5.426 2.595 ( 0.000 -5.336 -4.735) 7.134 4.366 ( 0.000 -1.127 -0.021) 1.127 4.368 ( 0.000 -1.150 -0.134) 1.158 4.578 ( -0.000 0.926 1.278) 1.579 4.610 ( -0.000 -0.091 -0.852) 0.857 4.645 ( 0.000 -0.158 0.515) 0.539 4.669 ( 0.000 -1.480 -1.025) 1.801 4.852 ( -0.000 0.199 0.271) 0.336 4.855 ( -0.000 -0.060 0.170) 0.181 5.878 ( -0.000 -0.936 0.595) 1.110 5.894 ( -0.000 -1.528 -0.451) 1.593 6.075 ( -0.000 1.009 0.207) 1.030 6.084 ( 0.000 0.707 -0.363) 0.794 7.434 ( -0.000 -0.274 0.027) 0.275 7.435 ( 0.000 -0.309 -0.025) 0.310 7.579 ( -0.000 0.564 0.475) 0.737 7.581 ( -0.000 0.736 0.228) 0.770 12.262 ( -0.000 0.184 0.192) 0.266 12.264 ( -0.000 0.145 0.105) 0.179 12.557 ( 0.000 2.704 2.085) 3.415 12.632 ( 0.000 2.197 -3.033) 3.745 12.711 ( 0.000 -0.884 2.816) 2.951 12.812 ( -0.000 -1.615 -4.260) 4.556 13.032 ( -0.000 0.956 2.834) 2.991 13.086 ( -0.000 -0.181 -1.145) 1.159======================= Grid point 295 (110/125) =======================q-point: ( 0.78 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.642 ( 0.999 1.511 -0.798) 1.980 0.724 ( -0.027 1.727 -0.924) 1.959 0.840 ( -2.632 4.452 7.463) 9.080 0.879 ( -3.266 1.586 1.171) 3.815 0.966 ( -1.828 1.600 -4.250) 4.895 0.994 ( -4.884 3.734 -5.421) 8.196 1.259 ( 0.200 4.221 1.061) 4.357 1.333 ( 0.626 8.198 4.549) 9.396 1.425 ( -2.995 -0.769 0.384) 3.116 1.490 ( -7.676 0.189 -2.112) 7.964 1.544 ( -5.106 2.125 4.398) 7.066 1.588 ( -11.663 -0.796 0.274) 11.693 1.629 ( -12.284 -3.019 -0.938) 12.684 1.704 ( -1.085 -0.884 -2.691) 3.033 1.917 ( 0.870 -0.420 0.268) 1.002 1.954 ( 0.490 -0.547 -0.121) 0.745 2.017 ( -0.333 0.793 0.276) 0.903 2.071 ( -1.952 0.084 0.121) 1.957 2.317 ( -3.961 1.277 0.393) 4.181 2.333 ( -4.571 0.826 0.315) 4.656 2.372 ( 4.843 -1.869 1.305) 5.353 2.410 ( 5.440 -0.768 0.661) 5.533 2.474 ( 3.877 -1.789 -1.590) 4.556 2.495 ( 0.510 -2.368 1.062) 2.645 4.380 ( -2.517 -0.805 -0.124) 2.645 4.398 ( -3.078 -0.378 0.044) 3.101 4.586 ( 0.051 0.133 0.332) 0.362 4.610 ( 1.061 0.406 0.013) 1.136 4.636 ( 0.095 -0.264 0.204) 0.347 4.639 ( 1.366 -1.002 -0.347) 1.729 4.805 ( 4.682 0.044 -0.053) 4.682 4.821 ( 4.248 -0.269 0.173) 4.260 5.888 ( -2.018 -0.522 -0.144) 2.089 5.925 ( -3.648 -0.885 0.132) 3.756 6.075 ( 0.323 0.644 -0.120) 0.731 6.099 ( -0.649 0.391 0.123) 0.768 7.328 ( 7.181 -0.167 -0.035) 7.183 7.335 ( 6.931 -0.264 0.036) 6.936 7.673 ( -6.750 0.468 0.025) 6.766 7.696 ( -7.026 0.267 0.316) 7.039 12.251 ( 0.627 0.088 0.052) 0.635 12.271 ( 0.066 0.280 0.306) 0.420 12.604 ( -1.819 2.001 1.250) 2.979 12.642 ( -0.797 0.371 -1.422) 1.671 12.708 ( 0.228 -1.538 -0.140) 1.561 12.830 ( -3.964 0.593 -0.770) 4.082 13.013 ( 3.235 1.429 1.173) 3.726 13.080 ( 0.601 -1.366 -0.309) 1.524======================= Grid point 296 (111/125) =======================q-point: ( 0.89 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.631 ( -0.229 0.190 -1.811) 1.835 0.704 ( 2.492 0.082 -0.302) 2.511 0.906 ( 0.626 1.274 3.233) 3.531 0.956 ( -3.608 1.580 0.751) 4.010 0.987 ( -0.279 3.801 -2.954) 4.822 1.043 ( -1.436 -2.928 -0.995) 3.410 1.237 ( 1.204 -0.910 0.493) 1.588 1.380 ( 0.954 2.968 6.490) 7.200 1.450 ( -0.921 1.360 -4.411) 4.707 1.513 ( 0.162 0.840 -0.817) 1.182 1.581 ( -1.935 -2.128 0.480) 2.915 1.660 ( 5.152 0.380 0.655) 5.208 1.788 ( -0.904 -1.769 -0.389) 2.024 1.909 ( -3.061 2.337 0.072) 3.852 1.918 ( 2.453 -0.060 -0.497) 2.503 1.936 ( -3.714 0.328 0.332) 3.743 2.232 ( 4.870 -0.007 -0.221) 4.876 2.248 ( 4.389 -0.528 -0.635) 4.466 2.309 ( -22.672 -1.465 0.300) 22.721 2.316 ( -26.285 -0.130 -0.248) 26.286 2.362 ( 3.300 0.685 -0.097) 3.372 2.448 ( -7.869 -0.516 0.453) 7.899 2.459 ( -7.584 0.394 0.021) 7.594 2.483 ( 1.497 -0.364 0.709) 1.696 4.436 ( -3.411 -0.161 -0.043) 3.415 4.460 ( -3.036 0.199 0.048) 3.043 4.557 ( 3.739 -0.243 -0.157) 3.750 4.589 ( 0.954 0.066 -0.078) 0.959 4.594 ( 1.150 -0.489 -0.059) 1.251 4.657 ( -0.208 -0.073 0.864) 0.891 4.673 ( 8.324 -0.061 -0.651) 8.350 4.688 ( 9.501 -0.296 -0.004) 9.506 5.940 ( -3.411 -0.108 -0.232) 3.420 6.003 ( -4.536 -0.215 0.171) 4.544 6.073 ( 0.287 0.216 -0.107) 0.374 6.108 ( 0.039 0.081 0.123) 0.152 7.208 ( 5.302 -0.112 0.078) 5.303 7.209 ( 5.646 -0.252 -0.118) 5.653 7.797 ( -5.632 0.228 -0.032) 5.637 7.812 ( -4.727 0.156 0.065) 4.730 12.245 ( 0.148 0.060 -0.011) 0.160 12.268 ( 0.550 0.176 0.127) 0.591 12.650 ( -1.352 -0.031 0.004) 1.352 12.655 ( -0.927 -0.210 -0.360) 1.016 12.712 ( -2.318 -0.432 -0.326) 2.381 12.918 ( -2.644 2.216 1.747) 3.867 12.957 ( 3.156 0.949 -1.070) 3.465 13.035 ( 2.005 -2.488 -0.196) 3.201======================= Grid point 305 (112/125) =======================q-point: ( 0.78 0.44 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.655 ( 0.000 2.650 4.541) 5.258 0.692 ( 0.000 3.167 -2.224) 3.870 0.776 ( 0.000 6.088 -0.349) 6.098 0.779 ( 0.000 9.877 2.802) 10.267 0.848 ( -0.000 3.198 1.669) 3.607 0.903 ( -0.000 3.304 -7.713) 8.391 1.248 ( 0.000 2.095 1.407) 2.523 1.250 ( 0.000 2.470 0.660) 2.557 1.311 ( 0.000 11.518 1.993) 11.689 1.320 ( 0.000 9.162 0.106) 9.163 1.516 ( -0.000 -3.154 2.060) 3.767 1.536 ( 0.000 -1.751 -2.168) 2.787 1.629 ( 0.000 -4.182 4.028) 5.807 1.676 ( 0.000 -2.928 -5.828) 6.522 1.941 ( -0.000 0.438 1.043) 1.131 1.949 ( -0.000 0.011 -0.622) 0.622 2.048 ( 0.000 -0.380 0.608) 0.717 2.053 ( 0.000 -0.375 -0.587) 0.697 2.272 ( -0.000 1.352 0.900) 1.624 2.278 ( -0.000 1.085 -0.533) 1.209 2.459 ( 0.000 0.358 0.791) 0.869 2.460 ( 0.000 -0.358 0.646) 0.739 2.507 ( 0.000 -4.270 4.613) 6.286 2.551 ( 0.000 -4.849 -4.914) 6.903 4.366 ( -0.000 -1.076 0.047) 1.077 4.367 ( -0.000 -1.084 -0.111) 1.089 4.590 ( -0.000 0.726 1.327) 1.512 4.601 ( -0.000 0.376 -1.159) 1.218 4.651 ( -0.000 -0.570 0.840) 1.015 4.659 ( -0.000 -1.041 -1.029) 1.464 4.854 ( 0.000 0.124 0.205) 0.240 4.855 ( 0.000 0.028 -0.039) 0.048 5.884 ( 0.000 -1.178 0.602) 1.323 5.889 ( 0.000 -1.377 -0.547) 1.482 6.078 ( 0.000 0.964 0.266) 1.000 6.080 ( 0.000 0.866 -0.324) 0.925 7.435 ( 0.000 -0.280 0.029) 0.282 7.435 ( 0.000 -0.292 -0.029) 0.294 7.582 ( -0.000 0.621 0.193) 0.651 7.582 ( 0.000 0.693 0.073) 0.697 12.264 ( -0.000 0.290 0.103) 0.307 12.264 ( -0.000 0.277 0.015) 0.277 12.578 ( -0.000 2.748 2.619) 3.797 12.604 ( -0.000 2.638 -2.991) 3.988 12.740 ( -0.000 -1.285 3.516) 3.743 12.774 ( -0.000 -1.481 -3.988) 4.254 13.055 ( -0.000 0.732 2.275) 2.390 13.073 ( -0.000 0.357 -1.694) 1.732======================= Grid point 306 (113/125) =======================q-point: (-0.11 -0.56 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( 1.715 0.212 -0.000) 1.728 0.718 ( -0.306 2.543 0.000) 2.562 0.884 ( -2.699 2.562 0.000) 3.721 0.903 ( -1.135 2.127 0.000) 2.411 0.921 ( -1.746 5.088 0.000) 5.379 0.967 ( -7.430 2.035 0.000) 7.704 1.263 ( 0.138 4.046 0.000) 4.049 1.356 ( 0.138 9.855 0.000) 9.855 1.426 ( -1.809 -4.074 -0.000) 4.458 1.479 ( -7.325 2.071 0.000) 7.613 1.572 ( -1.205 -1.609 -0.000) 2.011 1.584 ( -15.792 5.267 0.000) 16.647 1.625 ( -11.765 -5.965 -0.000) 13.191 1.689 ( -2.298 0.005 0.000) 2.298 1.919 ( 1.125 -0.466 -0.000) 1.218 1.953 ( 0.676 -0.429 -0.000) 0.801 2.018 ( -0.490 0.862 0.000) 0.992 2.071 ( -1.744 0.404 0.000) 1.790 2.318 ( -3.792 1.251 0.000) 3.993 2.335 ( -4.744 0.970 0.000) 4.842 2.379 ( 4.901 -2.154 -0.000) 5.354 2.414 ( 6.531 -1.737 -0.000) 6.758 2.463 ( 3.915 -1.636 -0.000) 4.243 2.502 ( -0.548 -1.798 -0.000) 1.880 4.379 ( -2.514 -0.808 -0.000) 2.641 4.398 ( -3.065 -0.310 0.000) 3.080 4.588 ( 0.207 -0.024 -0.000) 0.208 4.611 ( 1.051 0.454 0.000) 1.145 4.636 ( 1.574 -0.370 -0.000) 1.617 4.639 ( -0.265 -0.712 -0.000) 0.760 4.804 ( 4.749 0.047 -0.000) 4.750 4.822 ( 4.273 -0.267 -0.000) 4.281 5.888 ( -1.942 -0.581 -0.000) 2.027 5.926 ( -3.703 -0.848 -0.000) 3.799 6.075 ( 0.355 0.643 0.000) 0.735 6.100 ( -0.692 0.414 0.000) 0.806 7.327 ( 7.192 -0.170 -0.000) 7.194 7.335 ( 6.946 -0.256 -0.000) 6.950 7.674 ( -6.715 0.468 0.000) 6.731 7.698 ( -7.010 0.264 0.000) 7.015 12.252 ( 0.656 0.117 0.000) 0.666 12.272 ( 0.063 0.323 0.000) 0.329 12.612 ( -1.277 2.199 0.000) 2.543 12.633 ( -1.238 0.717 0.000) 1.430 12.707 ( 0.661 -2.283 -0.000) 2.377 12.827 ( -4.662 0.987 0.000) 4.765 13.019 ( 3.447 1.133 0.000) 3.629 13.078 ( 0.606 -1.089 -0.000) 1.246======================= Grid point 334 (114/125) =======================q-point: ( 0.44 -0.22 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.723 ( -0.813 -0.000 2.316) 2.455 0.743 ( -0.536 -0.000 -1.729) 1.810 0.903 ( 0.513 -0.000 6.859) 6.878 0.965 ( 1.015 -0.000 -6.056) 6.140 1.094 ( -4.229 -0.000 4.853) 6.437 1.128 ( -3.602 -0.000 1.952) 4.097 1.154 ( -1.647 -0.000 -4.391) 4.690 1.172 ( -2.307 -0.000 -3.901) 4.532 1.510 ( 2.981 -0.000 1.221) 3.221 1.520 ( 4.159 -0.000 -0.843) 4.244 1.575 ( -0.278 0.000 0.518) 0.588 1.579 ( -0.756 -0.000 -0.360) 0.837 1.810 ( 3.348 -0.000 3.166) 4.608 1.838 ( 4.051 -0.000 -2.732) 4.887 1.915 ( 2.657 -0.000 0.202) 2.665 1.918 ( 1.809 0.000 -0.510) 1.880 2.199 ( 3.244 -0.000 2.716) 4.231 2.213 ( 3.490 -0.000 0.141) 3.493 2.295 ( 1.635 -0.000 2.732) 3.183 2.331 ( 1.871 -0.000 -4.482) 4.857 2.583 ( -6.502 0.000 0.262) 6.507 2.585 ( -6.472 -0.000 -0.134) 6.473 2.934 ( -33.271 -0.000 0.300) 33.273 2.937 ( -33.177 -0.000 -0.355) 33.179 4.444 ( 14.701 -0.000 0.253) 14.703 4.446 ( 14.418 -0.000 -0.167) 14.419 4.485 ( 0.278 0.000 0.442) 0.522 4.490 ( -0.353 -0.000 -0.635) 0.726 4.528 ( 1.059 0.000 0.870) 1.370 4.534 ( 1.374 -0.000 -0.568) 1.487 4.645 ( -1.219 -0.000 1.413) 1.866 4.657 ( -1.126 -0.000 -1.219) 1.659 6.037 ( -2.954 -0.000 1.425) 3.280 6.049 ( -2.515 -0.000 -1.092) 2.742 6.084 ( -0.330 -0.000 0.255) 0.417 6.087 ( 0.294 -0.000 -0.483) 0.566 7.126 ( 3.216 -0.000 0.410) 3.242 7.129 ( 3.018 0.000 -0.357) 3.039 7.886 ( -3.120 -0.000 0.126) 3.123 7.887 ( -3.278 -0.000 -0.000) 3.278 12.250 ( 0.120 -0.000 0.266) 0.292 12.252 ( 0.255 -0.000 -0.177) 0.310 12.697 ( -1.797 -0.000 0.935) 2.026 12.703 ( -1.762 -0.000 -0.199) 1.774 12.774 ( 0.099 -0.000 2.131) 2.134 12.799 ( 0.933 -0.000 -3.047) 3.186 13.007 ( 0.236 -0.000 0.932) 0.961 13.013 ( -0.365 0.000 -0.346) 0.502======================= Grid point 344 (115/125) =======================q-point: ( 0.44 -0.11 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.713 ( -0.936 2.822 0.000) 2.973 0.746 ( 0.355 -1.059 -0.000) 1.117 0.882 ( -5.472 4.436 0.000) 7.044 0.909 ( -1.331 0.117 0.000) 1.336 1.045 ( 0.605 1.738 0.000) 1.840 1.099 ( -2.177 -4.661 -0.000) 5.145 1.168 ( 3.437 2.430 0.000) 4.210 1.193 ( 3.685 -0.195 -0.000) 3.690 1.502 ( -2.024 2.658 0.000) 3.340 1.508 ( -1.811 3.043 0.000) 3.541 1.583 ( 0.101 -0.600 -0.000) 0.608 1.636 ( 2.370 -5.336 -0.000) 5.838 1.854 ( 0.197 0.282 0.000) 0.344 1.857 ( -4.430 -0.158 0.000) 4.433 1.931 ( -0.536 1.229 0.000) 1.341 1.942 ( 0.843 -0.647 -0.000) 1.063 2.272 ( -21.384 -0.032 0.000) 21.384 2.286 ( -2.519 -0.710 -0.000) 2.617 2.317 ( -13.871 2.136 0.000) 14.035 2.341 ( 1.507 0.414 0.000) 1.563 2.357 ( -4.171 -0.480 0.000) 4.199 2.370 ( -1.485 -2.589 -0.000) 2.985 2.441 ( -7.143 1.052 0.000) 7.221 2.453 ( -6.928 -0.377 0.000) 6.939 4.442 ( -3.036 0.452 0.000) 3.070 4.453 ( -3.241 -0.771 -0.000) 3.331 4.570 ( 2.889 1.072 0.000) 3.082 4.590 ( 2.930 -1.370 -0.000) 3.235 4.609 ( -0.101 0.470 0.000) 0.481 4.618 ( 0.242 -0.735 -0.000) 0.774 4.686 ( 7.999 0.044 -0.000) 7.999 4.690 ( 8.070 -0.393 -0.000) 8.079 5.967 ( -4.049 0.721 0.000) 4.113 5.980 ( -4.047 -0.926 -0.000) 4.151 6.087 ( 0.132 0.508 0.000) 0.525 6.093 ( 0.164 -0.239 -0.000) 0.290 7.207 ( 5.520 0.185 -0.000) 5.523 7.213 ( 5.315 -0.579 -0.000) 5.346 7.802 ( -5.535 0.368 0.000) 5.548 7.804 ( -5.474 0.088 0.000) 5.474 12.252 ( 0.017 0.061 0.000) 0.064 12.252 ( 0.017 0.061 0.000) 0.064 12.653 ( -3.063 0.613 0.000) 3.124 12.668 ( -1.899 -1.314 -0.000) 2.310 12.784 ( -0.708 1.317 0.000) 1.495 12.805 ( 1.259 -1.341 -0.000) 1.840 12.982 ( 0.870 4.445 0.000) 4.530 13.049 ( 0.601 -4.005 -0.000) 4.049======================= Grid point 354 (116/125) =======================q-point: ( 0.44 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.649 ( 0.000 3.283 0.000) 3.283 0.676 ( 0.000 0.269 0.000) 0.269 0.748 ( 0.000 9.722 0.000) 9.722 0.883 ( -0.000 -7.328 -0.000) 7.328 1.077 ( 0.000 0.828 0.000) 0.828 1.078 ( 0.000 1.104 0.000) 1.104 1.164 ( 0.000 8.227 0.000) 8.227 1.254 ( -0.000 -0.916 -0.000) 0.916 1.365 ( 0.000 6.820 0.000) 6.820 1.379 ( -0.000 -1.544 -0.000) 1.544 1.394 ( 0.000 4.548 0.000) 4.548 1.444 ( -0.000 -6.825 -0.000) 6.825 1.653 ( 0.000 2.160 0.000) 2.160 1.737 ( -0.000 -6.448 -0.000) 6.448 1.909 ( 0.000 0.703 0.000) 0.703 1.922 ( -0.000 -0.981 -0.000) 0.981 2.023 ( 0.000 0.033 0.000) 0.033 2.039 ( -0.000 -2.147 -0.000) 2.147 2.262 ( 0.000 1.297 0.000) 1.297 2.277 ( -0.000 -0.588 -0.000) 0.588 2.382 ( -0.000 -0.162 -0.000) 0.162 2.383 ( -0.000 -0.233 -0.000) 0.233 2.480 ( 0.000 4.603 0.000) 4.603 2.569 ( -0.000 -6.378 -0.000) 6.378 4.353 ( -0.000 -0.439 -0.000) 0.439 4.354 ( -0.000 -0.599 -0.000) 0.599 4.577 ( 0.000 1.444 0.000) 1.444 4.601 ( -0.000 -1.484 -0.000) 1.484 4.646 ( 0.000 0.506 0.000) 0.506 4.659 ( -0.000 -1.197 -0.000) 1.197 4.848 ( 0.000 0.042 0.000) 0.042 4.849 ( -0.000 -0.004 -0.000) 0.004 5.867 ( 0.000 0.275 0.000) 0.275 5.878 ( -0.000 -1.087 -0.000) 1.087 6.086 ( 0.000 0.623 0.000) 0.623 6.092 ( -0.000 -0.129 -0.000) 0.129 7.431 ( -0.000 -0.092 -0.000) 0.092 7.431 ( -0.000 -0.155 -0.000) 0.155 7.576 ( 0.000 0.526 0.000) 0.526 7.581 ( -0.000 -0.027 -0.000) 0.027 12.256 ( -0.000 -0.032 -0.000) 0.032 12.257 ( -0.000 -0.156 -0.000) 0.156 12.569 ( 0.000 2.819 0.000) 2.819 12.615 ( -0.000 -3.055 -0.000) 3.055 12.758 ( 0.000 4.560 0.000) 4.560 12.834 ( -0.000 -5.071 -0.000) 5.071 13.015 ( 0.000 3.848 0.000) 3.848 13.067 ( -0.000 -2.683 -0.000) 2.683======================= Grid point 355 (117/125) =======================q-point: ( 0.56 0.00 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.706 ( -2.233 0.000 0.369) 2.264 0.710 ( -2.547 -0.000 1.134) 2.787 0.830 ( -1.902 0.000 -4.045) 4.470 0.859 ( -3.331 -0.000 2.044) 3.908 1.054 ( 1.136 0.000 -2.888) 3.104 1.083 ( 0.258 -0.000 2.821) 2.833 1.285 ( 5.321 -0.000 -0.001) 5.321 1.290 ( 5.860 -0.000 0.806) 5.916 1.433 ( -9.920 0.000 -0.075) 9.921 1.443 ( -10.671 0.000 2.260) 10.908 1.506 ( -10.955 0.000 -0.122) 10.956 1.506 ( -10.289 0.000 0.022) 10.289 1.702 ( -4.919 0.000 -1.407) 5.116 1.710 ( -4.164 0.000 0.518) 4.196 1.921 ( -0.824 0.000 -0.900) 1.220 1.931 ( -0.958 -0.000 1.230) 1.559 2.025 ( -1.538 0.000 -0.552) 1.634 2.032 ( -1.655 -0.000 0.964) 1.915 2.315 ( -4.285 0.000 0.138) 4.287 2.316 ( -3.876 0.000 0.371) 3.893 2.368 ( 0.527 0.000 -1.935) 2.006 2.391 ( -0.117 -0.000 3.125) 3.127 2.455 ( 6.038 -0.000 -1.303) 6.177 2.463 ( 5.584 -0.000 0.489) 5.605 4.381 ( -2.949 0.000 -0.441) 2.982 4.386 ( -3.079 0.000 0.458) 3.113 4.592 ( -0.454 0.000 -0.580) 0.736 4.599 ( -0.710 -0.000 0.902) 1.148 4.631 ( 1.964 -0.000 -0.461) 2.017 4.634 ( 1.750 -0.000 0.303) 1.776 4.808 ( 4.267 -0.000 -0.215) 4.273 4.811 ( 4.225 -0.000 0.294) 4.235 5.899 ( -2.898 0.000 -0.684) 2.978 5.905 ( -3.199 0.000 0.657) 3.266 6.089 ( 0.014 0.000 -0.418) 0.418 6.093 ( -0.160 -0.000 0.440) 0.468 7.329 ( 7.043 -0.000 -0.140) 7.045 7.330 ( 7.007 -0.000 0.146) 7.009 7.680 ( -7.072 0.000 -0.342) 7.080 7.684 ( -7.126 0.000 0.522) 7.145 12.252 ( 0.247 0.000 -0.298) 0.387 12.256 ( 0.126 -0.000 0.551) 0.565 12.613 ( -2.089 0.000 0.023) 2.089 12.615 ( -2.000 0.000 0.444) 2.049 12.782 ( 0.389 0.000 -3.212) 3.235 12.809 ( -0.651 -0.000 2.419) 2.505 13.030 ( 1.052 0.000 -0.756) 1.296 13.039 ( 0.847 -0.000 1.121) 1.405======================= Grid point 365 (118/125) =======================q-point: ( 0.56 0.11 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.661 ( -0.000 3.014 2.311) 3.798 0.685 ( 0.000 0.381 2.029) 2.065 0.745 ( -0.000 9.067 -0.334) 9.074 0.866 ( 0.000 -6.368 -3.367) 7.204 1.059 ( 0.000 2.884 -3.633) 4.639 1.072 ( 0.000 0.559 -1.295) 1.410 1.186 ( 0.000 6.037 3.961) 7.220 1.256 ( 0.000 -0.661 0.360) 0.752 1.372 ( 0.000 6.482 1.493) 6.652 1.389 ( 0.000 -1.431 2.141) 2.575 1.400 ( 0.000 4.298 1.039) 4.421 1.450 ( 0.000 -6.366 1.373) 6.513 1.644 ( -0.000 2.586 -1.849) 3.179 1.730 ( 0.000 -6.213 -1.516) 6.395 1.914 ( 0.000 0.645 0.956) 1.153 1.926 ( -0.000 -0.956 0.830) 1.266 2.024 ( 0.000 0.023 0.357) 0.358 2.040 ( 0.000 -1.972 0.102) 1.975 2.265 ( -0.000 1.241 0.639) 1.396 2.279 ( -0.000 -0.511 0.410) 0.655 2.390 ( -0.000 -0.240 1.519) 1.538 2.391 ( -0.000 -0.335 1.611) 1.645 2.478 ( 0.000 4.283 -0.373) 4.299 2.562 ( 0.000 -6.121 -1.397) 6.278 4.353 ( 0.000 -0.430 0.021) 0.430 4.354 ( 0.000 -0.588 0.016) 0.588 4.579 ( -0.000 1.397 0.479) 1.477 4.602 ( -0.000 -1.372 0.204) 1.387 4.646 ( 0.000 0.472 -0.106) 0.484 4.658 ( 0.000 -1.149 -0.250) 1.176 4.849 ( 0.000 0.023 0.196) 0.198 4.850 ( 0.000 0.007 0.145) 0.145 5.867 ( -0.000 0.225 0.076) 0.238 5.877 ( -0.000 -1.050 -0.069) 1.053 6.086 ( -0.000 0.607 0.054) 0.610 6.091 ( -0.000 -0.091 -0.034) 0.097 7.431 ( -0.000 -0.092 0.011) 0.093 7.431 ( -0.000 -0.152 0.004) 0.152 7.578 ( -0.000 0.488 0.307) 0.576 7.582 ( -0.000 -0.004 0.203) 0.203 12.258 ( -0.000 -0.012 0.269) 0.270 12.259 ( 0.000 -0.126 0.253) 0.282 12.572 ( -0.000 2.819 0.808) 2.932 12.619 ( -0.000 -3.007 0.710) 3.089 12.752 ( -0.000 4.434 -1.218) 4.599 12.825 ( -0.000 -4.687 -1.955) 5.078 13.022 ( -0.000 3.422 1.384) 3.691 13.069 ( -0.000 -2.450 0.415) 2.485======================= Grid point 366 (119/125) =======================q-point: ( 0.67 0.11 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.715 ( -1.434 -0.000 -0.550) 1.536 0.715 ( -1.373 0.000 1.070) 1.740 0.802 ( -1.639 0.000 -0.565) 1.734 0.867 ( -4.385 0.000 0.089) 4.386 1.032 ( 0.861 0.000 -2.303) 2.458 1.095 ( -0.745 0.000 -0.468) 0.880 1.296 ( 3.825 -0.000 2.719) 4.693 1.297 ( 5.936 -0.000 0.820) 5.993 1.439 ( -8.297 0.000 1.344) 8.405 1.474 ( -11.272 -0.000 4.183) 12.023 1.504 ( -10.545 0.000 -0.166) 10.546 1.506 ( -8.742 0.000 -0.056) 8.742 1.685 ( -6.341 0.000 -2.297) 6.745 1.712 ( -3.803 0.000 -0.206) 3.808 1.915 ( -0.239 0.000 -0.340) 0.416 1.941 ( -0.570 -0.000 1.021) 1.169 2.022 ( -1.561 0.000 -0.159) 1.569 2.043 ( -1.929 -0.000 1.425) 2.399 2.318 ( -4.400 0.000 0.473) 4.426 2.322 ( -3.327 0.000 0.887) 3.443 2.356 ( 1.309 0.000 -0.636) 1.455 2.421 ( 0.503 -0.000 2.644) 2.691 2.442 ( 5.297 -0.000 -0.969) 5.385 2.464 ( 5.036 -0.000 -0.302) 5.045 4.378 ( -2.822 0.000 -0.366) 2.845 4.390 ( -3.193 0.000 0.409) 3.220 4.588 ( -0.145 0.000 -0.245) 0.285 4.608 ( -0.870 -0.000 1.087) 1.392 4.626 ( 2.145 -0.000 -0.536) 2.211 4.636 ( 1.499 -0.000 0.121) 1.504 4.807 ( 4.394 -0.000 -0.141) 4.396 4.813 ( 4.254 -0.000 0.332) 4.267 5.893 ( -2.597 0.000 -0.622) 2.671 5.910 ( -3.464 0.000 0.555) 3.508 6.085 ( 0.178 0.000 -0.348) 0.391 6.097 ( -0.324 -0.000 0.405) 0.519 7.328 ( 7.099 -0.000 -0.117) 7.100 7.331 ( 6.995 -0.000 0.129) 6.996 7.678 ( -6.971 0.000 -0.150) 6.973 7.689 ( -7.126 0.000 0.603) 7.151 12.251 ( 0.399 -0.000 -0.047) 0.401 12.262 ( 0.056 -0.000 0.689) 0.691 12.616 ( -1.909 0.000 0.532) 1.981 12.621 ( -1.660 -0.000 0.754) 1.823 12.751 ( 0.846 0.000 -3.486) 3.587 12.826 ( -2.261 -0.000 1.335) 2.626 13.025 ( 1.695 -0.000 -0.219) 1.709 13.049 ( 0.986 -0.000 1.181) 1.539======================= Grid point 376 (120/125) =======================q-point: ( 0.67 0.22 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.679 ( 0.000 3.325 0.883) 3.440 0.708 ( -0.000 0.187 2.500) 2.507 0.756 ( -0.000 6.355 3.518) 7.263 0.833 ( -0.000 -3.718 -3.231) 4.925 1.019 ( -0.000 4.391 -4.955) 6.620 1.050 ( -0.000 0.316 -3.703) 3.717 1.224 ( -0.000 3.391 3.942) 5.200 1.261 ( -0.000 -0.120 0.675) 0.686 1.388 ( -0.000 4.717 1.904) 5.087 1.411 ( -0.000 3.132 1.170) 3.344 1.418 ( 0.000 -0.142 3.913) 3.916 1.471 ( -0.000 -4.805 3.306) 5.833 1.622 ( -0.000 3.560 -2.774) 4.514 1.710 ( -0.000 -5.487 -2.811) 6.165 1.925 ( -0.000 0.514 1.372) 1.465 1.935 ( -0.000 -0.800 1.044) 1.315 2.029 ( -0.000 0.007 0.687) 0.687 2.042 ( -0.000 -1.529 0.274) 1.553 2.273 ( 0.000 1.088 0.982) 1.465 2.284 ( 0.000 -0.283 0.556) 0.624 2.408 ( -0.000 -0.467 2.310) 2.356 2.410 ( -0.000 -0.586 2.432) 2.501 2.474 ( -0.000 3.351 -0.421) 3.377 2.544 ( -0.000 -5.351 -2.475) 5.896 4.353 ( 0.000 -0.408 0.039) 0.410 4.354 ( 0.000 -0.553 0.016) 0.554 4.585 ( -0.000 1.247 0.807) 1.485 4.604 ( 0.000 -1.050 0.260) 1.082 4.645 ( 0.000 0.353 -0.122) 0.374 4.655 ( 0.000 -1.007 -0.426) 1.094 4.852 ( -0.332 0.008 0.250) 0.416 4.852 ( 0.332 0.004 0.256) 0.419 5.868 ( -0.000 0.086 0.140) 0.164 5.876 ( -0.000 -0.946 -0.128) 0.954 6.087 ( -0.000 0.563 0.094) 0.570 6.091 ( -0.000 0.010 -0.060) 0.061 7.431 ( -0.000 -0.095 0.018) 0.097 7.431 ( -0.000 -0.144 0.005) 0.144 7.581 ( -0.000 0.396 0.461) 0.608 7.585 ( -0.000 0.053 0.308) 0.313 12.261 ( -0.000 0.039 0.415) 0.417 12.262 ( -0.000 -0.049 0.387) 0.391 12.583 ( -0.000 2.791 1.506) 3.171 12.627 ( -0.000 -2.732 1.086) 2.940 12.738 ( -0.000 3.959 -1.754) 4.330 12.802 ( -0.000 -3.918 -3.024) 4.949 13.038 ( 0.000 2.553 1.920) 3.194 13.074 ( 0.000 -1.840 0.492) 1.904======================= Grid point 377 (121/125) =======================q-point: ( 0.78 0.22 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.687 ( 0.484 0.000 -4.201) 4.229 0.730 ( -0.488 -0.000 1.255) 1.347 0.827 ( -2.210 -0.000 5.067) 5.528 0.870 ( -4.403 0.000 0.982) 4.511 1.008 ( -0.452 0.000 -2.975) 3.009 1.074 ( -1.342 0.000 -4.025) 4.243 1.305 ( 5.907 -0.000 0.779) 5.959 1.330 ( 0.548 -0.000 4.187) 4.223 1.456 ( -5.051 -0.000 2.092) 5.468 1.502 ( -14.090 0.000 -0.060) 14.090 1.506 ( -6.264 0.000 -0.003) 6.264 1.516 ( -7.743 -0.000 4.583) 8.998 1.660 ( -8.760 0.000 -2.916) 9.232 1.707 ( -3.416 0.000 -0.702) 3.488 1.914 ( 0.525 -0.000 0.057) 0.528 1.948 ( 0.087 -0.000 0.510) 0.517 2.022 ( -1.658 0.000 0.162) 1.666 2.058 ( -2.226 -0.000 1.649) 2.770 2.323 ( -4.348 0.000 0.575) 4.386 2.331 ( -3.330 -0.000 1.053) 3.493 2.354 ( 2.534 -0.000 0.167) 2.539 2.417 ( 6.463 0.000 -1.922) 6.743 2.459 ( -0.640 -0.000 2.972) 3.041 2.459 ( 4.507 -0.000 -0.743) 4.568 4.375 ( -2.716 0.000 -0.255) 2.728 4.393 ( -3.279 0.000 0.303) 3.293 4.587 ( 0.151 -0.000 -0.010) 0.152 4.618 ( -0.904 -0.000 1.044) 1.380 4.621 ( 2.293 -0.000 -0.487) 2.344 4.636 ( 1.205 -0.000 -0.045) 1.206 4.806 ( 4.573 -0.000 -0.091) 4.574 4.816 ( 4.318 -0.000 0.292) 4.328 5.888 ( -2.339 0.000 -0.473) 2.387 5.915 ( -3.666 0.000 0.398) 3.688 6.082 ( 0.312 0.000 -0.246) 0.397 6.100 ( -0.458 -0.000 0.311) 0.554 7.327 ( 7.161 -0.000 -0.081) 7.161 7.332 ( 7.001 -0.000 0.095) 7.001 7.677 ( -6.855 0.000 -0.021) 6.855 7.695 ( -7.089 0.000 0.530) 7.109 12.251 ( 0.547 -0.000 0.101) 0.556 12.268 ( 0.030 -0.000 0.634) 0.635 12.623 ( -1.490 -0.000 0.979) 1.783 12.628 ( -1.155 -0.000 0.796) 1.403 12.720 ( 0.848 0.000 -3.218) 3.328 12.833 ( -4.068 0.000 0.420) 4.090 13.025 ( 2.541 -0.000 0.177) 2.547 13.059 ( 1.256 -0.000 0.959) 1.580======================= Grid point 388 (122/125) =======================q-point: ( 0.78 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.680 ( -0.000 3.081 -0.089) 3.083 0.718 ( 0.000 -1.303 -0.854) 1.558 0.807 ( 0.000 3.341 6.938) 7.700 0.824 ( 0.000 0.771 1.868) 2.021 0.969 ( 0.000 4.970 -5.703) 7.565 1.006 ( 0.000 0.552 -5.817) 5.843 1.253 ( 0.000 1.542 2.398) 2.851 1.267 ( 0.000 0.227 0.632) 0.672 1.404 ( 0.000 2.886 1.497) 3.251 1.419 ( 0.000 1.820 0.531) 1.896 1.457 ( 0.000 1.272 4.534) 4.710 1.507 ( 0.000 -3.390 3.981) 5.229 1.598 ( 0.000 4.340 -2.069) 4.808 1.679 ( 0.000 -4.194 -3.923) 5.743 1.937 ( -0.000 0.352 1.152) 1.204 1.943 ( 0.000 -0.486 0.703) 0.855 2.036 ( -0.000 -0.009 0.833) 0.833 2.044 ( 0.000 -0.963 0.307) 1.011 2.282 ( -0.000 0.885 0.911) 1.270 2.288 ( -0.000 0.046 0.407) 0.410 2.429 ( 0.000 -0.922 2.132) 2.323 2.432 ( 0.000 -0.881 2.097) 2.274 2.472 ( 0.000 1.977 0.049) 1.978 2.519 ( 0.000 -4.042 -2.923) 4.988 4.354 ( -0.000 -0.394 0.048) 0.397 4.354 ( 0.000 -0.500 -0.002) 0.500 4.593 ( -0.000 0.973 0.882) 1.313 4.606 ( -0.000 -0.558 0.084) 0.564 4.644 ( -0.000 0.125 -0.027) 0.128 4.651 ( -0.000 -0.787 -0.466) 0.914 4.854 ( 0.000 0.032 0.212) 0.214 4.854 ( 0.000 -0.036 0.218) 0.221 5.870 ( -0.000 -0.115 0.183) 0.216 5.875 ( -0.000 -0.783 -0.171) 0.801 6.088 ( -0.000 0.492 0.111) 0.504 6.090 ( -0.000 0.142 -0.080) 0.163 7.431 ( 0.000 -0.101 0.018) 0.102 7.431 ( 0.000 -0.132 0.002) 0.132 7.586 ( -0.000 0.300 0.404) 0.503 7.587 ( 0.000 0.117 0.261) 0.286 12.265 ( 0.000 0.095 0.370) 0.382 12.265 ( 0.000 0.040 0.338) 0.340 12.599 ( -0.000 2.639 1.976) 3.296 12.636 ( -0.000 -1.649 0.518) 1.729 12.724 ( -0.000 2.591 -0.932) 2.754 12.772 ( -0.000 -3.080 -3.244) 4.474 13.055 ( -0.000 1.646 1.730) 2.388 13.077 ( -0.000 -1.023 0.160) 1.035======================= Grid point 389 (123/125) =======================q-point: ( 0.89 0.33 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.653 ( 1.433 0.000 -2.810) 3.154 0.736 ( -0.299 -0.000 0.305) 0.427 0.881 ( -1.857 -0.000 6.146) 6.420 0.888 ( -3.103 -0.000 2.668) 4.093 0.978 ( -2.223 0.000 -3.460) 4.112 1.028 ( -1.994 0.000 -5.424) 5.779 1.311 ( 5.886 -0.000 0.490) 5.907 1.364 ( -4.224 -0.000 2.676) 5.000 1.475 ( -0.497 -0.000 1.849) 1.914 1.501 ( -12.107 0.000 -0.105) 12.108 1.507 ( -1.973 0.000 0.391) 2.011 1.554 ( -10.237 -0.000 3.263) 10.745 1.634 ( -12.762 0.000 -2.596) 13.023 1.700 ( -2.680 0.000 -0.774) 2.790 1.915 ( 1.149 -0.000 0.140) 1.157 1.951 ( 0.621 -0.000 0.152) 0.639 2.024 ( -1.758 0.000 0.233) 1.773 2.071 ( -2.389 -0.000 1.156) 2.654 2.328 ( -4.279 0.000 0.416) 4.299 2.339 ( -4.164 0.000 0.687) 4.220 2.357 ( 4.193 -0.000 0.313) 4.205 2.401 ( 6.949 -0.000 -1.417) 7.092 2.452 ( 4.113 -0.000 -0.611) 4.158 2.481 ( -1.003 -0.000 1.795) 2.056 4.373 ( -2.648 0.000 -0.129) 2.651 4.395 ( -3.330 0.000 0.160) 3.334 4.587 ( 0.360 -0.000 0.063) 0.365 4.618 ( 2.400 -0.000 -0.298) 2.418 4.626 ( -0.834 -0.000 0.777) 1.140 4.635 ( 0.917 -0.000 -0.204) 0.939 4.805 ( 4.736 -0.000 -0.049) 4.736 4.819 ( 4.376 -0.000 0.171) 4.379 5.884 ( -2.165 0.000 -0.255) 2.180 5.918 ( -3.792 0.000 0.207) 3.797 6.081 ( 0.400 0.000 -0.126) 0.419 6.102 ( -0.545 -0.000 0.169) 0.571 7.326 ( 7.208 -0.000 -0.041) 7.208 7.333 ( 7.011 -0.000 0.050) 7.011 7.677 ( -6.764 0.000 0.020) 6.764 7.698 ( -7.048 0.000 0.309) 7.055 12.252 ( 0.654 -0.000 0.102) 0.662 12.273 ( 0.030 -0.000 0.380) 0.381 12.633 ( -0.932 -0.000 1.120) 1.457 12.634 ( -0.674 -0.000 0.517) 0.849 12.694 ( 0.542 0.000 -2.320) 2.382 12.835 ( -5.473 0.000 0.005) 5.473 13.027 ( 3.195 -0.000 0.220) 3.203 13.066 ( 1.482 -0.000 0.533) 1.575======================= Grid point 391 (124/125) =======================q-point: ( 0.00 -0.56 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.640 ( 1.742 -0.000 -0.000) 1.742 0.737 ( -0.379 0.000 0.000) 0.379 0.906 ( -1.270 0.000 0.000) 1.270 0.920 ( -1.083 0.000 0.000) 1.083 0.956 ( -4.062 0.000 0.000) 4.062 0.993 ( -2.836 0.000 0.000) 2.836 1.313 ( 5.879 -0.000 -0.000) 5.879 1.376 ( -6.771 0.000 0.000) 6.771 1.484 ( 0.454 -0.000 -0.000) 0.454 1.501 ( -11.882 0.000 0.000) 11.882 1.511 ( 3.005 -0.000 -0.000) 3.005 1.570 ( -10.960 0.000 0.000) 10.960 1.620 ( -16.090 0.000 0.000) 16.090 1.696 ( -2.119 0.000 0.000) 2.119 1.916 ( 1.388 -0.000 -0.000) 1.388 1.952 ( 0.817 -0.000 -0.000) 0.817 2.026 ( -1.799 0.000 0.000) 1.799 2.077 ( -2.429 0.000 0.000) 2.429 2.330 ( -4.271 0.000 0.000) 4.271 2.343 ( -4.729 0.000 0.000) 4.729 2.359 ( 5.046 -0.000 -0.000) 5.046 2.394 ( 7.083 -0.000 -0.000) 7.083 2.449 ( 3.966 -0.000 -0.000) 3.966 2.490 ( -1.050 0.000 0.000) 1.050 4.372 ( -2.624 0.000 0.000) 2.624 4.396 ( -3.347 0.000 0.000) 3.347 4.588 ( 0.432 -0.000 -0.000) 0.432 4.616 ( 2.442 -0.000 -0.000) 2.442 4.631 ( -1.517 0.000 0.000) 1.517 4.633 ( 1.520 -0.000 -0.000) 1.520 4.805 ( 4.803 -0.000 -0.000) 4.803 4.819 ( 4.398 -0.000 -0.000) 4.398 5.883 ( -2.103 0.000 0.000) 2.103 5.919 ( -3.834 0.000 0.000) 3.834 6.080 ( 0.430 -0.000 -0.000) 0.430 6.103 ( -0.575 0.000 0.000) 0.575 7.326 ( 7.226 -0.000 -0.000) 7.226 7.333 ( 7.016 -0.000 -0.000) 7.016 7.677 ( -6.729 0.000 0.000) 6.729 7.700 ( -7.030 0.000 0.000) 7.030 12.253 ( 0.693 -0.000 -0.000) 0.693 12.275 ( 0.034 -0.000 -0.000) 0.034 12.637 ( -0.470 0.000 0.000) 0.470 12.639 ( -0.572 0.000 0.000) 0.572 12.682 ( 0.268 -0.000 -0.000) 0.268 12.835 ( -6.002 0.000 0.000) 6.002 13.028 ( 3.430 -0.000 -0.000) 3.430 13.069 ( 1.568 -0.000 -0.000) 1.568======================= Grid point 402 (125/125) =======================q-point: ( 0.89 0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.684 ( 0.000 1.299 1.122) 1.717 0.700 ( 0.000 -0.708 -2.272) 2.380 0.860 ( 0.000 3.097 5.163) 6.021 0.873 ( 0.000 1.214 6.816) 6.923 0.917 ( 0.000 5.275 -5.138) 7.364 0.946 ( 0.000 1.449 -7.000) 7.149 1.268 ( -0.000 0.642 0.896) 1.102 1.271 ( -0.000 0.360 0.115) 0.378 1.415 ( -0.000 1.872 0.886) 2.072 1.420 ( 0.000 1.476 -0.193) 1.488 1.497 ( 0.000 1.606 3.935) 4.250 1.523 ( -0.000 -0.457 -1.151) 1.238 1.600 ( 0.000 1.445 3.061) 3.385 1.639 ( -0.000 -2.184 -4.671) 5.156 1.945 ( 0.000 0.143 0.562) 0.580 1.947 ( 0.000 -0.140 0.106) 0.176 2.043 ( 0.000 -0.108 0.586) 0.595 2.046 ( 0.000 -0.432 -0.050) 0.435 2.288 ( 0.000 0.664 0.495) 0.828 2.291 ( 0.000 0.387 0.022) 0.388 2.444 ( 0.000 -1.471 1.050) 1.808 2.445 ( -0.000 -1.231 0.779) 1.457 2.477 ( 0.000 0.292 1.092) 1.130 2.493 ( 0.000 -2.077 -2.459) 3.219 4.354 ( -0.000 -0.404 0.044) 0.406 4.354 ( -0.000 -0.443 -0.026) 0.444 4.600 ( -0.000 0.559 0.681) 0.881 4.605 ( -0.000 0.019 -0.290) 0.291 4.644 ( 0.000 -0.185 0.149) 0.238 4.647 ( 0.000 -0.507 -0.349) 0.615 4.855 ( 0.000 0.011 0.103) 0.103 4.855 ( -0.000 -0.022 0.063) 0.067 5.872 ( -0.000 -0.346 0.201) 0.400 5.873 ( -0.000 -0.576 -0.196) 0.609 6.089 ( -0.000 0.396 0.109) 0.410 6.090 ( -0.000 0.277 -0.096) 0.293 7.431 ( -0.043 -0.118 -0.001) 0.125 7.431 ( 0.043 -0.111 0.009) 0.120 7.588 ( -0.000 0.228 0.189) 0.296 7.589 ( 0.000 0.174 0.071) 0.187 12.267 ( 0.000 0.123 0.156) 0.199 12.267 ( 0.000 0.105 0.124) 0.162 12.618 ( -0.000 2.096 2.006) 2.901 12.633 ( 0.000 0.576 -1.111) 1.251 12.725 ( 0.000 0.000 1.222) 1.222 12.744 ( -0.000 -1.977 -2.734) 3.373 13.068 ( 0.000 0.759 1.154) 1.381 13.076 ( 0.000 -0.134 -0.453) 0.472=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/34992 10.0 5.126 5.291 5.179 -0.000 -0.000 -0.000 3/34992 20.0 2.957 1.948 1.813 -0.000 -0.000 -0.000 3/34992 30.0 2.581 1.187 1.078 -0.000 -0.000 -0.000 3/34992 40.0 2.508 0.859 0.773 -0.000 -0.000 -0.000 3/34992 50.0 2.398 0.675 0.606 -0.000 -0.000 -0.000 3/34992 60.0 2.245 0.557 0.499 -0.000 -0.000 -0.000 3/34992 70.0 2.079 0.474 0.424 -0.000 -0.000 -0.000 3/34992 80.0 1.919 0.413 0.370 -0.000 -0.000 -0.000 3/34992 90.0 1.772 0.367 0.328 -0.000 -0.000 -0.000 3/34992 100.0 1.641 0.331 0.295 -0.000 -0.000 -0.000 3/34992 110.0 1.525 0.302 0.268 -0.000 -0.000 -0.000 3/34992 120.0 1.423 0.278 0.247 -0.000 -0.000 -0.000 3/34992 130.0 1.332 0.258 0.228 -0.000 -0.000 -0.000 3/34992 140.0 1.252 0.242 0.213 -0.000 -0.000 -0.000 3/34992 150.0 1.180 0.228 0.200 -0.000 -0.000 -0.000 3/34992 160.0 1.116 0.216 0.188 -0.000 -0.000 -0.000 3/34992 170.0 1.059 0.205 0.178 -0.000 -0.000 -0.000 3/34992 180.0 1.006 0.196 0.169 -0.000 -0.000 -0.000 3/34992 190.0 0.959 0.187 0.161 -0.000 -0.000 -0.000 3/34992 200.0 0.916 0.180 0.154 -0.000 -0.000 -0.000 3/34992 210.0 0.877 0.173 0.148 -0.000 -0.000 -0.000 3/34992 220.0 0.841 0.167 0.142 -0.000 -0.000 -0.000 3/34992 230.0 0.808 0.161 0.137 -0.000 -0.000 -0.000 3/34992 240.0 0.777 0.156 0.132 -0.000 -0.000 -0.000 3/34992 250.0 0.748 0.151 0.127 -0.000 -0.000 -0.000 3/34992 260.0 0.722 0.146 0.123 -0.000 -0.000 -0.000 3/34992 270.0 0.697 0.142 0.119 -0.000 -0.000 -0.000 3/34992 280.0 0.674 0.138 0.115 -0.000 -0.000 -0.000 3/34992 290.0 0.653 0.135 0.112 -0.000 -0.000 -0.000 3/34992 300.0 0.633 0.131 0.109 -0.000 -0.000 -0.000 3/34992 310.0 0.614 0.128 0.106 -0.000 -0.000 -0.000 3/34992 320.0 0.596 0.125 0.103 -0.000 -0.000 -0.000 3/34992 330.0 0.579 0.122 0.100 -0.000 -0.000 -0.000 3/34992 340.0 0.563 0.119 0.098 -0.000 -0.000 -0.000 3/34992 350.0 0.548 0.117 0.096 -0.000 -0.000 -0.000 3/34992 360.0 0.534 0.114 0.093 -0.000 -0.000 -0.000 3/34992 370.0 0.521 0.112 0.091 -0.000 -0.000 -0.000 3/34992 380.0 0.508 0.110 0.089 -0.000 -0.000 -0.000 3/34992 390.0 0.496 0.107 0.087 0.000 -0.000 -0.000 3/34992 400.0 0.484 0.105 0.085 0.000 -0.000 -0.000 3/34992 410.0 0.473 0.103 0.084 0.000 -0.000 -0.000 3/34992 420.0 0.462 0.101 0.082 0.000 -0.000 -0.000 3/34992 430.0 0.452 0.100 0.080 0.000 -0.000 -0.000 3/34992 440.0 0.442 0.098 0.079 0.000 -0.000 -0.000 3/34992 450.0 0.433 0.096 0.077 0.000 -0.000 -0.000 3/34992 460.0 0.424 0.095 0.076 0.000 -0.000 -0.000 3/34992 470.0 0.416 0.093 0.075 0.000 -0.000 -0.000 3/34992 480.0 0.408 0.091 0.073 0.000 -0.000 -0.000 3/34992 490.0 0.400 0.090 0.072 0.000 -0.000 -0.000 3/34992 500.0 0.392 0.089 0.071 0.000 -0.000 -0.000 3/34992 510.0 0.385 0.087 0.070 0.000 -0.000 -0.000 3/34992 520.0 0.378 0.086 0.069 0.000 -0.000 -0.000 3/34992 530.0 0.371 0.085 0.067 0.000 -0.000 -0.000 3/34992 540.0 0.365 0.083 0.066 0.000 -0.000 -0.000 3/34992 550.0 0.358 0.082 0.065 0.000 -0.000 -0.000 3/34992 560.0 0.352 0.081 0.064 0.000 -0.000 -0.000 3/34992 570.0 0.347 0.080 0.063 0.000 -0.000 -0.000 3/34992 580.0 0.341 0.079 0.063 0.000 -0.000 -0.000 3/34992 590.0 0.335 0.078 0.062 0.000 -0.000 -0.000 3/34992 600.0 0.330 0.077 0.061 0.000 -0.000 -0.000 3/34992 610.0 0.325 0.076 0.060 0.000 -0.000 -0.000 3/34992 620.0 0.320 0.075 0.059 0.000 -0.000 -0.000 3/34992 630.0 0.315 0.074 0.058 0.000 -0.000 -0.000 3/34992 640.0 0.311 0.073 0.058 0.000 -0.000 -0.000 3/34992 650.0 0.306 0.072 0.057 0.000 -0.000 -0.000 3/34992 660.0 0.302 0.071 0.056 0.000 -0.000 -0.000 3/34992 670.0 0.297 0.070 0.055 0.000 -0.000 -0.000 3/34992 680.0 0.293 0.070 0.055 0.000 -0.000 -0.000 3/34992 690.0 0.289 0.069 0.054 0.000 -0.000 -0.000 3/34992 700.0 0.285 0.068 0.053 0.000 -0.000 -0.000 3/34992 710.0 0.281 0.067 0.053 0.000 -0.000 -0.000 3/34992 720.0 0.278 0.066 0.052 0.000 -0.000 -0.000 3/34992 730.0 0.274 0.066 0.052 0.000 -0.000 -0.000 3/34992 740.0 0.271 0.065 0.051 0.000 -0.000 -0.000 3/34992 750.0 0.267 0.064 0.050 0.000 -0.000 -0.000 3/34992 760.0 0.264 0.064 0.050 0.000 -0.000 -0.000 3/34992 770.0 0.260 0.063 0.049 0.000 -0.000 -0.000 3/34992 780.0 0.257 0.062 0.049 0.000 -0.000 -0.000 3/34992 790.0 0.254 0.062 0.048 0.000 -0.000 -0.000 3/34992 800.0 0.251 0.061 0.048 0.000 -0.000 -0.000 3/34992 810.0 0.248 0.060 0.047 0.000 -0.000 -0.000 3/34992 820.0 0.245 0.060 0.047 0.000 -0.000 -0.000 3/34992 830.0 0.243 0.059 0.046 0.000 -0.000 -0.000 3/34992 840.0 0.240 0.059 0.046 0.000 -0.000 -0.000 3/34992 850.0 0.237 0.058 0.045 0.000 -0.000 -0.000 3/34992 860.0 0.234 0.058 0.045 0.000 -0.000 -0.000 3/34992 870.0 0.232 0.057 0.044 0.000 -0.000 -0.000 3/34992 880.0 0.229 0.057 0.044 0.000 -0.000 -0.000 3/34992 890.0 0.227 0.056 0.044 0.000 -0.000 -0.000 3/34992 900.0 0.224 0.055 0.043 0.000 -0.000 -0.000 3/34992 910.0 0.222 0.055 0.043 0.000 -0.000 -0.000 3/34992 920.0 0.220 0.055 0.042 0.000 -0.000 -0.000 3/34992 930.0 0.218 0.054 0.042 0.000 -0.000 -0.000 3/34992 940.0 0.215 0.054 0.042 0.000 -0.000 -0.000 3/34992 950.0 0.213 0.053 0.041 0.000 -0.000 -0.000 3/34992 960.0 0.211 0.053 0.041 0.000 -0.000 -0.000 3/34992 970.0 0.209 0.052 0.041 0.000 -0.000 -0.000 3/34992 980.0 0.207 0.052 0.040 0.000 -0.000 -0.000 3/34992 990.0 0.205 0.051 0.040 0.000 -0.000 -0.000 3/34992 1000.0 0.203 0.051 0.040 0.000 -0.000 -0.000 3/34992Thermal conductivity related properties were written into "kappa-m999.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 20:25:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|