----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:09:19]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.017171530000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.010777100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.302673470000000 Atomic positions (fractional): *1 Ba 0.35311974451917 0.75000000000000 0.72970439808165 137.327 2 Ba 0.64688025548083 0.25000000000000 0.27029560191835 137.327 3 Ba 0.14688025548083 0.25000000000000 0.22970439808165 137.327 4 Ba 0.85311974451917 0.75000000000000 0.77029560191835 137.327 *5 B 0.41042548729133 0.12654673724913 0.70656692051782 10.811 6 B 0.58957451270867 0.87345326275087 0.29343307948218 10.811 *7 B 0.65813385235202 0.49956929625805 0.77988055815511 10.811 8 B 0.34186614764798 0.99956929625805 0.22011944184489 10.811 9 B 0.65813385235202 0.00043070374195 0.77988055815511 10.811 10 B 0.91042548729133 0.37345326275087 0.79343307948218 10.811 11 B 0.41042548729133 0.37345326275087 0.70656692051782 10.811 12 B 0.08957451270867 0.62654673724913 0.20656692051782 10.811 13 B 0.15813385235202 0.00043070374195 0.72011944184489 10.811 14 B 0.84186614764798 0.50043070374195 0.27988055815511 10.811 15 B 0.91042548729133 0.12654673724913 0.79343307948218 10.811 16 B 0.84186614764798 0.99956929625805 0.27988055815511 10.811 17 B 0.15813385235202 0.49956929625805 0.72011944184489 10.811 18 B 0.08957451270867 0.87345326275087 0.20656692051782 10.811 19 B 0.34186614764798 0.50043070374195 0.22011944184489 10.811 20 B 0.58957451270867 0.62654673724913 0.29343307948218 10.811 *21 O 0.19544701871952 0.53784145901245 0.37712650467259 15.999 *22 O 0.93629060707837 0.89508509658172 0.29591048350601 15.999 23 O 0.56370939292163 0.39508509658172 0.79591048350601 15.999 24 O 0.06370939292163 0.10491490341828 0.70408951649399 15.999 *25 O 0.39067380980368 0.39350552253096 0.37378658062894 15.999 26 O 0.60932619019632 0.89350552253097 0.62621341937106 15.999 27 O 0.69544701871952 0.96215854098755 0.12287349532741 15.999 28 O 0.10932619019632 0.60649447746903 0.87378658062894 15.999 29 O 0.39067380980368 0.10649447746903 0.37378658062894 15.999 30 O 0.06370939292163 0.39508509658172 0.70408951649399 15.999 31 O 0.43629060707837 0.89508509658172 0.20408951649399 15.999 *32 O 0.36577002766853 0.25000000000000 0.78766849164654 15.999 33 O 0.13422997233147 0.75000000000000 0.28766849164654 15.999 34 O 0.43629060707837 0.60491490341828 0.20408951649399 15.999 35 O 0.93629060707837 0.60491490341828 0.29591048350601 15.999 36 O 0.89067380980368 0.39350552253096 0.12621341937106 15.999 37 O 0.80455298128048 0.03784145901245 0.62287349532741 15.999 38 O 0.69544701871952 0.53784145901245 0.12287349532741 15.999 39 O 0.60932619019632 0.60649447746903 0.62621341937106 15.999 40 O 0.80455298128048 0.46215854098755 0.62287349532741 15.999 41 O 0.10932619019632 0.89350552253097 0.87378658062894 15.999 42 O 0.63422997233147 0.75000000000000 0.21233150835346 15.999 43 O 0.86577002766853 0.25000000000000 0.71233150835346 15.999 44 O 0.30455298128048 0.03784145901245 0.87712650467259 15.999 45 O 0.30455298128048 0.46215854098755 0.87712650467259 15.999 46 O 0.56370939292163 0.10491490341828 0.79591048350601 15.999 47 O 0.89067380980368 0.10649447746903 0.12621341937106 15.999 48 O 0.19544701871952 0.96215854098755 0.37712650467259 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.017171530000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.010777100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.302673470000000 Atomic positions (fractional): *1 Ba 0.35311974451917 0.75000000000000 0.72970439808165 137.327 > 1 2 Ba 0.64688025548083 0.25000000000000 0.27029560191835 137.327 > 2 3 Ba 0.14688025548083 0.25000000000000 0.22970439808165 137.327 > 3 4 Ba 0.85311974451917 0.75000000000000 0.77029560191835 137.327 > 4 *5 B 0.41042548729133 0.12654673724913 0.70656692051782 10.811 > 5 6 B 0.58957451270867 0.87345326275087 0.29343307948218 10.811 > 6 *7 B 0.65813385235202 0.49956929625805 0.77988055815511 10.811 > 7 8 B 0.34186614764798 0.99956929625805 0.22011944184489 10.811 > 8 9 B 0.65813385235202 0.00043070374195 0.77988055815511 10.811 > 9 10 B 0.91042548729133 0.37345326275087 0.79343307948218 10.811 > 10 11 B 0.41042548729133 0.37345326275087 0.70656692051782 10.811 > 11 12 B 0.08957451270867 0.62654673724913 0.20656692051782 10.811 > 12 13 B 0.15813385235202 0.00043070374195 0.72011944184489 10.811 > 13 14 B 0.84186614764798 0.50043070374195 0.27988055815511 10.811 > 14 15 B 0.91042548729133 0.12654673724913 0.79343307948218 10.811 > 15 16 B 0.84186614764798 0.99956929625805 0.27988055815511 10.811 > 16 17 B 0.15813385235202 0.49956929625805 0.72011944184489 10.811 > 17 18 B 0.08957451270867 0.87345326275087 0.20656692051782 10.811 > 18 19 B 0.34186614764798 0.50043070374195 0.22011944184489 10.811 > 19 20 B 0.58957451270867 0.62654673724913 0.29343307948218 10.811 > 20 *21 O 0.19544701871952 0.53784145901245 0.37712650467259 15.999 > 21 *22 O 0.93629060707837 0.89508509658172 0.29591048350601 15.999 > 22 23 O 0.56370939292163 0.39508509658172 0.79591048350601 15.999 > 23 24 O 0.06370939292163 0.10491490341828 0.70408951649399 15.999 > 24 *25 O 0.39067380980368 0.39350552253096 0.37378658062894 15.999 > 25 26 O 0.60932619019632 0.89350552253097 0.62621341937106 15.999 > 26 27 O 0.69544701871952 0.96215854098755 0.12287349532741 15.999 > 27 28 O 0.10932619019632 0.60649447746903 0.87378658062894 15.999 > 28 29 O 0.39067380980368 0.10649447746903 0.37378658062894 15.999 > 29 30 O 0.06370939292163 0.39508509658172 0.70408951649399 15.999 > 30 31 O 0.43629060707837 0.89508509658172 0.20408951649399 15.999 > 31 *32 O 0.36577002766853 0.25000000000000 0.78766849164654 15.999 > 32 33 O 0.13422997233147 0.75000000000000 0.28766849164654 15.999 > 33 34 O 0.43629060707837 0.60491490341828 0.20408951649399 15.999 > 34 35 O 0.93629060707837 0.60491490341828 0.29591048350601 15.999 > 35 36 O 0.89067380980368 0.39350552253096 0.12621341937106 15.999 > 36 37 O 0.80455298128048 0.03784145901245 0.62287349532741 15.999 > 37 38 O 0.69544701871952 0.53784145901245 0.12287349532741 15.999 > 38 39 O 0.60932619019632 0.60649447746903 0.62621341937106 15.999 > 39 40 O 0.80455298128048 0.46215854098755 0.62287349532741 15.999 > 40 41 O 0.10932619019632 0.89350552253097 0.87378658062894 15.999 > 41 42 O 0.63422997233147 0.75000000000000 0.21233150835346 15.999 > 42 43 O 0.86577002766853 0.25000000000000 0.71233150835346 15.999 > 43 44 O 0.30455298128048 0.03784145901245 0.87712650467259 15.999 > 44 45 O 0.30455298128048 0.46215854098755 0.87712650467259 15.999 > 45 46 O 0.56370939292163 0.10491490341828 0.79591048350601 15.999 > 46 47 O 0.89067380980368 0.10649447746903 0.12621341937106 15.999 > 47 48 O 0.19544701871952 0.96215854098755 0.37712650467259 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.017171530000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.010777100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.908020410000001 Atomic positions (fractional): *1 Ba 0.35311974451917 0.75000000000000 0.24323479936055 137.327 > 1 2 Ba 0.35311974451917 0.75000000000000 0.57656813269388 137.327 > 1 3 Ba 0.35311974451917 0.75000000000000 0.90990146602722 137.327 > 1 4 Ba 0.64688025548083 0.25000000000000 0.09009853397278 137.327 > 2 5 Ba 0.64688025548083 0.25000000000000 0.42343186730612 137.327 > 2 6 Ba 0.64688025548083 0.25000000000000 0.75676520063945 137.327 > 2 7 Ba 0.14688025548083 0.25000000000000 0.07656813269388 137.327 > 3 8 Ba 0.14688025548083 0.25000000000000 0.40990146602722 137.327 > 3 9 Ba 0.14688025548083 0.25000000000000 0.74323479936055 137.327 > 3 10 Ba 0.85311974451917 0.75000000000000 0.25676520063945 137.327 > 4 11 Ba 0.85311974451917 0.75000000000000 0.59009853397278 137.327 > 4 12 Ba 0.85311974451917 0.75000000000000 0.92343186730612 137.327 > 4 *13 B 0.41042548729133 0.12654673724913 0.23552230683927 10.811 > 5 14 B 0.41042548729133 0.12654673724913 0.56885564017261 10.811 > 5 15 B 0.41042548729133 0.12654673724913 0.90218897350594 10.811 > 5 16 B 0.58957451270867 0.87345326275087 0.09781102649406 10.811 > 6 17 B 0.58957451270867 0.87345326275087 0.43114435982739 10.811 > 6 18 B 0.58957451270867 0.87345326275087 0.76447769316073 10.811 > 6 *19 B 0.65813385235202 0.49956929625805 0.25996018605170 10.811 > 7 20 B 0.65813385235202 0.49956929625805 0.59329351938504 10.811 > 7 21 B 0.65813385235202 0.49956929625805 0.92662685271837 10.811 > 7 22 B 0.34186614764798 0.99956929625805 0.07337314728163 10.811 > 8 23 B 0.34186614764798 0.99956929625805 0.40670648061496 10.811 > 8 24 B 0.34186614764798 0.99956929625805 0.74003981394830 10.811 > 8 25 B 0.65813385235202 0.00043070374195 0.25996018605170 10.811 > 9 26 B 0.65813385235202 0.00043070374195 0.59329351938504 10.811 > 9 27 B 0.65813385235202 0.00043070374195 0.92662685271837 10.811 > 9 28 B 0.91042548729133 0.37345326275087 0.26447769316073 10.811 > 10 29 B 0.91042548729133 0.37345326275087 0.59781102649406 10.811 > 10 30 B 0.91042548729133 0.37345326275087 0.93114435982739 10.811 > 10 31 B 0.41042548729133 0.37345326275087 0.23552230683927 10.811 > 11 32 B 0.41042548729133 0.37345326275087 0.56885564017261 10.811 > 11 33 B 0.41042548729133 0.37345326275087 0.90218897350594 10.811 > 11 34 B 0.08957451270867 0.62654673724913 0.06885564017261 10.811 > 12 35 B 0.08957451270867 0.62654673724913 0.40218897350594 10.811 > 12 36 B 0.08957451270867 0.62654673724913 0.73552230683927 10.811 > 12 37 B 0.15813385235202 0.00043070374195 0.24003981394830 10.811 > 13 38 B 0.15813385235202 0.00043070374195 0.57337314728163 10.811 > 13 39 B 0.15813385235202 0.00043070374195 0.90670648061496 10.811 > 13 40 B 0.84186614764798 0.50043070374195 0.09329351938504 10.811 > 14 41 B 0.84186614764798 0.50043070374195 0.42662685271837 10.811 > 14 42 B 0.84186614764798 0.50043070374195 0.75996018605170 10.811 > 14 43 B 0.91042548729133 0.12654673724913 0.26447769316073 10.811 > 15 44 B 0.91042548729133 0.12654673724913 0.59781102649406 10.811 > 15 45 B 0.91042548729133 0.12654673724913 0.93114435982739 10.811 > 15 46 B 0.84186614764798 0.99956929625805 0.09329351938504 10.811 > 16 47 B 0.84186614764798 0.99956929625805 0.42662685271837 10.811 > 16 48 B 0.84186614764798 0.99956929625805 0.75996018605170 10.811 > 16 49 B 0.15813385235202 0.49956929625805 0.24003981394830 10.811 > 17 50 B 0.15813385235202 0.49956929625805 0.57337314728163 10.811 > 17 51 B 0.15813385235202 0.49956929625805 0.90670648061496 10.811 > 17 52 B 0.08957451270867 0.87345326275087 0.06885564017261 10.811 > 18 53 B 0.08957451270867 0.87345326275087 0.40218897350594 10.811 > 18 54 B 0.08957451270867 0.87345326275087 0.73552230683927 10.811 > 18 55 B 0.34186614764798 0.50043070374195 0.07337314728163 10.811 > 19 56 B 0.34186614764798 0.50043070374195 0.40670648061496 10.811 > 19 57 B 0.34186614764798 0.50043070374195 0.74003981394830 10.811 > 19 58 B 0.58957451270867 0.62654673724913 0.09781102649406 10.811 > 20 59 B 0.58957451270867 0.62654673724913 0.43114435982739 10.811 > 20 60 B 0.58957451270867 0.62654673724913 0.76447769316073 10.811 > 20 *61 O 0.19544701871952 0.53784145901245 0.12570883489086 15.999 > 21 62 O 0.19544701871952 0.53784145901245 0.45904216822420 15.999 > 21 63 O 0.19544701871952 0.53784145901245 0.79237550155753 15.999 > 21 *64 O 0.93629060707837 0.89508509658172 0.09863682783534 15.999 > 22 65 O 0.93629060707837 0.89508509658172 0.43197016116867 15.999 > 22 66 O 0.93629060707837 0.89508509658172 0.76530349450200 15.999 > 22 67 O 0.56370939292163 0.39508509658172 0.26530349450200 15.999 > 23 68 O 0.56370939292163 0.39508509658172 0.59863682783534 15.999 > 23 69 O 0.56370939292163 0.39508509658172 0.93197016116867 15.999 > 23 70 O 0.06370939292163 0.10491490341828 0.23469650549800 15.999 > 24 71 O 0.06370939292163 0.10491490341828 0.56802983883133 15.999 > 24 72 O 0.06370939292163 0.10491490341828 0.90136317216466 15.999 > 24 *73 O 0.39067380980368 0.39350552253096 0.12459552687631 15.999 > 25 74 O 0.39067380980368 0.39350552253096 0.45792886020965 15.999 > 25 75 O 0.39067380980368 0.39350552253096 0.79126219354298 15.999 > 25 76 O 0.60932619019632 0.89350552253097 0.20873780645702 15.999 > 26 77 O 0.60932619019632 0.89350552253097 0.54207113979035 15.999 > 26 78 O 0.60932619019632 0.89350552253097 0.87540447312369 15.999 > 26 79 O 0.69544701871952 0.96215854098755 0.04095783177580 15.999 > 27 80 O 0.69544701871952 0.96215854098755 0.37429116510914 15.999 > 27 81 O 0.69544701871952 0.96215854098755 0.70762449844247 15.999 > 27 82 O 0.10932619019632 0.60649447746903 0.29126219354298 15.999 > 28 83 O 0.10932619019632 0.60649447746903 0.62459552687631 15.999 > 28 84 O 0.10932619019632 0.60649447746903 0.95792886020965 15.999 > 28 85 O 0.39067380980368 0.10649447746903 0.12459552687631 15.999 > 29 86 O 0.39067380980368 0.10649447746903 0.45792886020965 15.999 > 29 87 O 0.39067380980368 0.10649447746903 0.79126219354298 15.999 > 29 88 O 0.06370939292163 0.39508509658172 0.23469650549800 15.999 > 30 89 O 0.06370939292163 0.39508509658172 0.56802983883133 15.999 > 30 90 O 0.06370939292163 0.39508509658172 0.90136317216466 15.999 > 30 91 O 0.43629060707837 0.89508509658172 0.06802983883133 15.999 > 31 92 O 0.43629060707837 0.89508509658172 0.40136317216466 15.999 > 31 93 O 0.43629060707837 0.89508509658172 0.73469650549800 15.999 > 31 *94 O 0.36577002766853 0.25000000000000 0.26255616388218 15.999 > 32 95 O 0.36577002766853 0.25000000000000 0.59588949721551 15.999 > 32 96 O 0.36577002766853 0.25000000000000 0.92922283054885 15.999 > 32 97 O 0.13422997233147 0.75000000000000 0.09588949721551 15.999 > 33 98 O 0.13422997233147 0.75000000000000 0.42922283054885 15.999 > 33 99 O 0.13422997233147 0.75000000000000 0.76255616388218 15.999 > 33 100 O 0.43629060707837 0.60491490341828 0.06802983883133 15.999 > 34 101 O 0.43629060707837 0.60491490341828 0.40136317216466 15.999 > 34 102 O 0.43629060707837 0.60491490341828 0.73469650549800 15.999 > 34 103 O 0.93629060707837 0.60491490341828 0.09863682783534 15.999 > 35 104 O 0.93629060707837 0.60491490341828 0.43197016116867 15.999 > 35 105 O 0.93629060707837 0.60491490341828 0.76530349450200 15.999 > 35 106 O 0.89067380980368 0.39350552253096 0.04207113979035 15.999 > 36 107 O 0.89067380980368 0.39350552253096 0.37540447312369 15.999 > 36 108 O 0.89067380980368 0.39350552253096 0.70873780645702 15.999 > 36 109 O 0.80455298128048 0.03784145901245 0.20762449844247 15.999 > 37 110 O 0.80455298128048 0.03784145901245 0.54095783177580 15.999 > 37 111 O 0.80455298128048 0.03784145901245 0.87429116510914 15.999 > 37 112 O 0.69544701871952 0.53784145901245 0.04095783177580 15.999 > 38 113 O 0.69544701871952 0.53784145901245 0.37429116510914 15.999 > 38 114 O 0.69544701871952 0.53784145901245 0.70762449844247 15.999 > 38 115 O 0.60932619019632 0.60649447746903 0.20873780645702 15.999 > 39 116 O 0.60932619019632 0.60649447746903 0.54207113979035 15.999 > 39 117 O 0.60932619019632 0.60649447746903 0.87540447312369 15.999 > 39 118 O 0.80455298128048 0.46215854098755 0.20762449844247 15.999 > 40 119 O 0.80455298128048 0.46215854098755 0.54095783177580 15.999 > 40 120 O 0.80455298128048 0.46215854098755 0.87429116510914 15.999 > 40 121 O 0.10932619019632 0.89350552253097 0.29126219354298 15.999 > 41 122 O 0.10932619019632 0.89350552253097 0.62459552687631 15.999 > 41 123 O 0.10932619019632 0.89350552253097 0.95792886020965 15.999 > 41 124 O 0.63422997233147 0.75000000000000 0.07077716945115 15.999 > 42 125 O 0.63422997233147 0.75000000000000 0.40411050278449 15.999 > 42 126 O 0.63422997233147 0.75000000000000 0.73744383611782 15.999 > 42 127 O 0.86577002766853 0.25000000000000 0.23744383611782 15.999 > 43 128 O 0.86577002766853 0.25000000000000 0.57077716945115 15.999 > 43 129 O 0.86577002766853 0.25000000000000 0.90411050278449 15.999 > 43 130 O 0.30455298128048 0.03784145901245 0.29237550155753 15.999 > 44 131 O 0.30455298128048 0.03784145901245 0.62570883489086 15.999 > 44 132 O 0.30455298128048 0.03784145901245 0.95904216822420 15.999 > 44 133 O 0.30455298128048 0.46215854098755 0.29237550155753 15.999 > 45 134 O 0.30455298128048 0.46215854098755 0.62570883489086 15.999 > 45 135 O 0.30455298128048 0.46215854098755 0.95904216822420 15.999 > 45 136 O 0.56370939292163 0.10491490341828 0.26530349450200 15.999 > 46 137 O 0.56370939292163 0.10491490341828 0.59863682783534 15.999 > 46 138 O 0.56370939292163 0.10491490341828 0.93197016116867 15.999 > 46 139 O 0.89067380980368 0.10649447746903 0.04207113979035 15.999 > 47 140 O 0.89067380980368 0.10649447746903 0.37540447312369 15.999 > 47 141 O 0.89067380980368 0.10649447746903 0.70873780645702 15.999 > 47 142 O 0.19544701871952 0.96215854098755 0.12570883489086 15.999 > 48 143 O 0.19544701871952 0.96215854098755 0.45904216822420 15.999 > 48 144 O 0.19544701871952 0.96215854098755 0.79237550155753 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3436869 0.0000000 0.0000000 0.0000000 3.3261042 0.0000000 0.0000000 0.0000000 3.3261527 -------------------------- Born effective charges -------------------------- 1 Ba 2.8782691 0.0000000 0.0508667 -0.0000000 2.7590685 0.0000000 0.0508217 0.0000000 2.8394167 2 Ba 2.8782691 0.0000000 0.0508667 -0.0000000 2.7590685 0.0000000 0.0508217 0.0000000 2.8394167 3 Ba 2.8782691 0.0000000 -0.0508667 -0.0000000 2.7590685 0.0000000 -0.0508217 0.0000000 2.8394167 4 Ba 2.8782691 0.0000000 -0.0508667 -0.0000000 2.7590685 0.0000000 -0.0508217 0.0000000 2.8394167 5 B 2.6537493 0.0124118 0.1256031 -0.0757619 2.6419177 0.1454928 -0.0375304 -0.0055455 2.4409201 6 B 2.6537493 0.0124118 0.1256031 -0.0757619 2.6419177 0.1454928 -0.0375304 -0.0055455 2.4409201 7 B 2.4781417 0.2318017 -0.0389161 0.1265938 2.6274585 -0.0306411 -0.0144132 -0.0681258 2.5146075 8 B 2.4781417 -0.2318017 -0.0389161 -0.1265938 2.6274585 0.0306411 -0.0144132 0.0681258 2.5146075 9 B 2.4781417 -0.2318017 -0.0389161 -0.1265938 2.6274585 0.0306411 -0.0144132 0.0681258 2.5146075 10 B 2.6537493 -0.0124118 -0.1256031 0.0757619 2.6419177 0.1454928 0.0375304 -0.0055455 2.4409201 11 B 2.6537493 -0.0124118 0.1256031 0.0757619 2.6419177 -0.1454928 -0.0375304 0.0055455 2.4409201 12 B 2.6537493 -0.0124118 -0.1256031 0.0757619 2.6419177 0.1454928 0.0375304 -0.0055455 2.4409201 13 B 2.4781417 -0.2318017 0.0389161 -0.1265938 2.6274585 -0.0306411 0.0144132 -0.0681258 2.5146075 14 B 2.4781417 0.2318017 0.0389161 0.1265938 2.6274585 0.0306411 0.0144132 0.0681258 2.5146075 15 B 2.6537493 0.0124118 -0.1256031 -0.0757619 2.6419177 -0.1454928 0.0375304 0.0055455 2.4409201 16 B 2.4781417 -0.2318017 0.0389161 -0.1265938 2.6274585 -0.0306411 0.0144132 -0.0681258 2.5146075 17 B 2.4781417 0.2318017 0.0389161 0.1265938 2.6274585 0.0306411 0.0144132 0.0681258 2.5146075 18 B 2.6537493 0.0124118 -0.1256031 -0.0757619 2.6419177 -0.1454928 0.0375304 0.0055455 2.4409201 19 B 2.4781417 0.2318017 -0.0389161 0.1265938 2.6274585 -0.0306411 -0.0144132 -0.0681258 2.5146075 20 B 2.6537493 -0.0124118 0.1256031 0.0757619 2.6419177 -0.1454928 -0.0375304 0.0055455 2.4409201 21 O -1.9519429 0.3690678 0.2462217 0.3568437 -1.5183746 0.2901311 0.1247313 0.3262514 -2.0637427 22 O -2.3456143 0.6186145 0.1978017 0.5203322 -1.8987257 0.0452883 0.2068167 0.0048239 -1.4608406 23 O -2.3456143 -0.6186145 -0.1978017 -0.5203322 -1.8987257 0.0452883 -0.2068167 0.0048239 -1.4608406 24 O -2.3456143 0.6186145 0.1978017 0.5203322 -1.8987257 0.0452883 0.2068167 0.0048239 -1.4608406 25 O -1.5352354 0.2238149 -0.3055076 0.2011795 -1.8682818 0.5019954 -0.2481737 0.4890909 -2.1439074 26 O -1.5352354 -0.2238149 -0.3055076 -0.2011795 -1.8682818 -0.5019954 -0.2481737 -0.4890909 -2.1439074 27 O -1.9519429 -0.3690678 -0.2462217 -0.3568437 -1.5183746 0.2901311 -0.1247313 0.3262514 -2.0637427 28 O -1.5352354 0.2238149 0.3055076 0.2011795 -1.8682818 -0.5019954 0.2481737 -0.4890909 -2.1439074 29 O -1.5352354 -0.2238149 -0.3055076 -0.2011795 -1.8682818 -0.5019954 -0.2481737 -0.4890909 -2.1439074 30 O -2.3456143 -0.6186145 0.1978017 -0.5203322 -1.8987257 -0.0452883 0.2068167 -0.0048239 -1.4608406 31 O -2.3456143 0.6186145 -0.1978017 0.5203322 -1.8987257 -0.0452883 -0.2068167 -0.0048239 -1.4608406 32 O -1.4764658 0.0000000 0.1436676 -0.0000000 -2.7270567 0.0000000 0.1654386 0.0000000 -1.4134905 33 O -1.4764658 0.0000000 -0.1436676 -0.0000000 -2.7270567 0.0000000 -0.1654386 0.0000000 -1.4134905 34 O -2.3456143 -0.6186145 -0.1978017 -0.5203322 -1.8987257 0.0452883 -0.2068167 0.0048239 -1.4608406 35 O -2.3456143 -0.6186145 0.1978017 -0.5203322 -1.8987257 -0.0452883 0.2068167 -0.0048239 -1.4608406 36 O -1.5352354 0.2238149 0.3055076 0.2011795 -1.8682818 -0.5019954 0.2481737 -0.4890909 -2.1439074 37 O -1.9519429 -0.3690678 0.2462217 -0.3568437 -1.5183746 -0.2901311 0.1247313 -0.3262514 -2.0637427 38 O -1.9519429 0.3690678 -0.2462217 0.3568437 -1.5183746 -0.2901311 -0.1247313 -0.3262514 -2.0637427 39 O -1.5352354 0.2238149 -0.3055076 0.2011795 -1.8682818 0.5019954 -0.2481737 0.4890909 -2.1439074 40 O -1.9519429 0.3690678 0.2462217 0.3568437 -1.5183746 0.2901311 0.1247313 0.3262514 -2.0637427 41 O -1.5352354 -0.2238149 0.3055076 -0.2011795 -1.8682818 0.5019954 0.2481737 0.4890909 -2.1439074 42 O -1.4764658 0.0000000 0.1436676 -0.0000000 -2.7270567 0.0000000 0.1654386 0.0000000 -1.4134905 43 O -1.4764658 0.0000000 -0.1436676 -0.0000000 -2.7270567 0.0000000 -0.1654386 0.0000000 -1.4134905 44 O -1.9519429 -0.3690678 -0.2462217 -0.3568437 -1.5183746 0.2901311 -0.1247313 0.3262514 -2.0637427 45 O -1.9519429 0.3690678 -0.2462217 0.3568437 -1.5183746 -0.2901311 -0.1247313 -0.3262514 -2.0637427 46 O -2.3456143 0.6186145 -0.1978017 0.5203322 -1.8987257 -0.0452883 -0.2068167 -0.0048239 -1.4608406 47 O -1.5352354 -0.2238149 0.3055076 -0.2011795 -1.8682818 0.5019954 0.2481737 0.4890909 -2.1439074 48 O -1.9519429 -0.3690678 0.2462217 -0.3568437 -1.5183746 -0.2901311 0.1247313 -0.3262514 -2.0637427 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 31464/31464 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4044 Number of blocks in projector: 4044 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 888 Use submatrix version of eigh solver. (1) Block: 500 / 888 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 888 / 888 (1) 376 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 332 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 330 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 492 Use standard eigh solver. Tree of FC basis block matrices: - (4044, 3989), data: False |-- (492, 485), data: True |-- (492, 485), data: True |-- (492, 485), data: True |-- (840, 830), data: False |-- (840, 10), data: (840, 20) @ (20, 10) |-- (340, 330), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (840, 830), data: False |-- (840, 8), data: (840, 18) @ (18, 8) |-- (340, 332), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (888, 874), data: False |-- (888, 12), data: (888, 26) @ (26, 12) |-- (388, 376), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.263 Solver_block: 200 / 720 - Time: 1.147 Solver_block: 300 / 720 - Time: 1.161 Solver_block: 400 / 720 - Time: 1.141 Solver_block: 500 / 720 - Time: 1.155 Solver_block: 600 / 720 - Time: 1.134 Solver_block: 700 / 720 - Time: 1.143 Solver_block: 720 / 720 - Time: 0.352 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.722 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 31464/31464 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4044 Number of blocks in projector: 4044 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 888 Use submatrix version of eigh solver. (1) Block: 500 / 888 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 888 / 888 (1) 376 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 332 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 330 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 492 Use standard eigh solver. Tree of FC basis block matrices: - (4044, 3989), data: False |-- (492, 485), data: True |-- (492, 485), data: True |-- (492, 485), data: True |-- (840, 830), data: False |-- (840, 10), data: (840, 20) @ (20, 10) |-- (340, 330), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (840, 830), data: False |-- (840, 8), data: (840, 18) @ (18, 8) |-- (340, 332), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (888, 874), data: False |-- (888, 12), data: (888, 26) @ (26, 12) |-- (388, 376), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max 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 13:09:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:10:00]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.017171530000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.010777100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.302673470000000 Atomic positions (fractional): 1 Ba 0.35311974451917 0.75000000000000 0.72970439808165 137.327 2 Ba 0.64688025548083 0.25000000000000 0.27029560191835 137.327 3 Ba 0.14688025548083 0.25000000000000 0.22970439808165 137.327 4 Ba 0.85311974451917 0.75000000000000 0.77029560191835 137.327 5 B 0.41042548729133 0.12654673724913 0.70656692051782 10.811 6 B 0.58957451270867 0.87345326275087 0.29343307948218 10.811 7 B 0.65813385235202 0.49956929625805 0.77988055815511 10.811 8 B 0.34186614764798 0.99956929625805 0.22011944184489 10.811 9 B 0.65813385235202 0.00043070374195 0.77988055815511 10.811 10 B 0.91042548729133 0.37345326275087 0.79343307948218 10.811 11 B 0.41042548729133 0.37345326275087 0.70656692051782 10.811 12 B 0.08957451270867 0.62654673724913 0.20656692051782 10.811 13 B 0.15813385235202 0.00043070374195 0.72011944184489 10.811 14 B 0.84186614764798 0.50043070374195 0.27988055815511 10.811 15 B 0.91042548729133 0.12654673724913 0.79343307948218 10.811 16 B 0.84186614764798 0.99956929625805 0.27988055815511 10.811 17 B 0.15813385235202 0.49956929625805 0.72011944184489 10.811 18 B 0.08957451270867 0.87345326275087 0.20656692051782 10.811 19 B 0.34186614764798 0.50043070374195 0.22011944184489 10.811 20 B 0.58957451270867 0.62654673724913 0.29343307948218 10.811 21 O 0.19544701871952 0.53784145901245 0.37712650467259 15.999 22 O 0.93629060707837 0.89508509658172 0.29591048350601 15.999 23 O 0.56370939292163 0.39508509658172 0.79591048350601 15.999 24 O 0.06370939292163 0.10491490341828 0.70408951649399 15.999 25 O 0.39067380980368 0.39350552253096 0.37378658062894 15.999 26 O 0.60932619019632 0.89350552253097 0.62621341937106 15.999 27 O 0.69544701871952 0.96215854098755 0.12287349532741 15.999 28 O 0.10932619019632 0.60649447746903 0.87378658062894 15.999 29 O 0.39067380980368 0.10649447746903 0.37378658062894 15.999 30 O 0.06370939292163 0.39508509658172 0.70408951649399 15.999 31 O 0.43629060707837 0.89508509658172 0.20408951649399 15.999 32 O 0.36577002766853 0.25000000000000 0.78766849164654 15.999 33 O 0.13422997233147 0.75000000000000 0.28766849164654 15.999 34 O 0.43629060707837 0.60491490341828 0.20408951649399 15.999 35 O 0.93629060707837 0.60491490341828 0.29591048350601 15.999 36 O 0.89067380980368 0.39350552253096 0.12621341937106 15.999 37 O 0.80455298128048 0.03784145901245 0.62287349532741 15.999 38 O 0.69544701871952 0.53784145901245 0.12287349532741 15.999 39 O 0.60932619019632 0.60649447746903 0.62621341937106 15.999 40 O 0.80455298128048 0.46215854098755 0.62287349532741 15.999 41 O 0.10932619019632 0.89350552253097 0.87378658062894 15.999 42 O 0.63422997233147 0.75000000000000 0.21233150835346 15.999 43 O 0.86577002766853 0.25000000000000 0.71233150835346 15.999 44 O 0.30455298128048 0.03784145901245 0.87712650467259 15.999 45 O 0.30455298128048 0.46215854098755 0.87712650467259 15.999 46 O 0.56370939292163 0.10491490341828 0.79591048350601 15.999 47 O 0.89067380980368 0.10649447746903 0.12621341937106 15.999 48 O 0.19544701871952 0.96215854098755 0.37712650467259 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.017171530000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.010777100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.908020410000001 Atomic positions (fractional): 1 Ba 0.35311974451917 0.75000000000000 0.24323479936055 137.327 > 1 2 Ba 0.35311974451917 0.75000000000000 0.57656813269388 137.327 > 1 3 Ba 0.35311974451917 0.75000000000000 0.90990146602722 137.327 > 1 4 Ba 0.64688025548083 0.25000000000000 0.09009853397278 137.327 > 4 5 Ba 0.64688025548083 0.25000000000000 0.42343186730612 137.327 > 4 6 Ba 0.64688025548083 0.25000000000000 0.75676520063945 137.327 > 4 7 Ba 0.14688025548083 0.25000000000000 0.07656813269388 137.327 > 7 8 Ba 0.14688025548083 0.25000000000000 0.40990146602722 137.327 > 7 9 Ba 0.14688025548083 0.25000000000000 0.74323479936055 137.327 > 7 10 Ba 0.85311974451917 0.75000000000000 0.25676520063945 137.327 > 10 11 Ba 0.85311974451917 0.75000000000000 0.59009853397278 137.327 > 10 12 Ba 0.85311974451917 0.75000000000000 0.92343186730612 137.327 > 10 13 B 0.41042548729133 0.12654673724913 0.23552230683927 10.811 > 13 14 B 0.41042548729133 0.12654673724913 0.56885564017261 10.811 > 13 15 B 0.41042548729133 0.12654673724913 0.90218897350594 10.811 > 13 16 B 0.58957451270867 0.87345326275087 0.09781102649406 10.811 > 16 17 B 0.58957451270867 0.87345326275087 0.43114435982739 10.811 > 16 18 B 0.58957451270867 0.87345326275087 0.76447769316073 10.811 > 16 19 B 0.65813385235202 0.49956929625805 0.25996018605170 10.811 > 19 20 B 0.65813385235202 0.49956929625805 0.59329351938504 10.811 > 19 21 B 0.65813385235202 0.49956929625805 0.92662685271837 10.811 > 19 22 B 0.34186614764798 0.99956929625805 0.07337314728163 10.811 > 22 23 B 0.34186614764798 0.99956929625805 0.40670648061496 10.811 > 22 24 B 0.34186614764798 0.99956929625805 0.74003981394830 10.811 > 22 25 B 0.65813385235202 0.00043070374195 0.25996018605170 10.811 > 25 26 B 0.65813385235202 0.00043070374195 0.59329351938504 10.811 > 25 27 B 0.65813385235202 0.00043070374195 0.92662685271837 10.811 > 25 28 B 0.91042548729133 0.37345326275087 0.26447769316073 10.811 > 28 29 B 0.91042548729133 0.37345326275087 0.59781102649406 10.811 > 28 30 B 0.91042548729133 0.37345326275087 0.93114435982739 10.811 > 28 31 B 0.41042548729133 0.37345326275087 0.23552230683927 10.811 > 31 32 B 0.41042548729133 0.37345326275087 0.56885564017261 10.811 > 31 33 B 0.41042548729133 0.37345326275087 0.90218897350594 10.811 > 31 34 B 0.08957451270867 0.62654673724913 0.06885564017261 10.811 > 34 35 B 0.08957451270867 0.62654673724913 0.40218897350594 10.811 > 34 36 B 0.08957451270867 0.62654673724913 0.73552230683927 10.811 > 34 37 B 0.15813385235202 0.00043070374195 0.24003981394830 10.811 > 37 38 B 0.15813385235202 0.00043070374195 0.57337314728163 10.811 > 37 39 B 0.15813385235202 0.00043070374195 0.90670648061496 10.811 > 37 40 B 0.84186614764798 0.50043070374195 0.09329351938504 10.811 > 40 41 B 0.84186614764798 0.50043070374195 0.42662685271837 10.811 > 40 42 B 0.84186614764798 0.50043070374195 0.75996018605170 10.811 > 40 43 B 0.91042548729133 0.12654673724913 0.26447769316073 10.811 > 43 44 B 0.91042548729133 0.12654673724913 0.59781102649406 10.811 > 43 45 B 0.91042548729133 0.12654673724913 0.93114435982739 10.811 > 43 46 B 0.84186614764798 0.99956929625805 0.09329351938504 10.811 > 46 47 B 0.84186614764798 0.99956929625805 0.42662685271837 10.811 > 46 48 B 0.84186614764798 0.99956929625805 0.75996018605170 10.811 > 46 49 B 0.15813385235202 0.49956929625805 0.24003981394830 10.811 > 49 50 B 0.15813385235202 0.49956929625805 0.57337314728163 10.811 > 49 51 B 0.15813385235202 0.49956929625805 0.90670648061496 10.811 > 49 52 B 0.08957451270867 0.87345326275087 0.06885564017261 10.811 > 52 53 B 0.08957451270867 0.87345326275087 0.40218897350594 10.811 > 52 54 B 0.08957451270867 0.87345326275087 0.73552230683927 10.811 > 52 55 B 0.34186614764798 0.50043070374195 0.07337314728163 10.811 > 55 56 B 0.34186614764798 0.50043070374195 0.40670648061496 10.811 > 55 57 B 0.34186614764798 0.50043070374195 0.74003981394830 10.811 > 55 58 B 0.58957451270867 0.62654673724913 0.09781102649406 10.811 > 58 59 B 0.58957451270867 0.62654673724913 0.43114435982739 10.811 > 58 60 B 0.58957451270867 0.62654673724913 0.76447769316073 10.811 > 58 61 O 0.19544701871952 0.53784145901245 0.12570883489086 15.999 > 61 62 O 0.19544701871952 0.53784145901245 0.45904216822420 15.999 > 61 63 O 0.19544701871952 0.53784145901245 0.79237550155753 15.999 > 61 64 O 0.93629060707837 0.89508509658172 0.09863682783534 15.999 > 64 65 O 0.93629060707837 0.89508509658172 0.43197016116867 15.999 > 64 66 O 0.93629060707837 0.89508509658172 0.76530349450200 15.999 > 64 67 O 0.56370939292163 0.39508509658172 0.26530349450200 15.999 > 67 68 O 0.56370939292163 0.39508509658172 0.59863682783534 15.999 > 67 69 O 0.56370939292163 0.39508509658172 0.93197016116867 15.999 > 67 70 O 0.06370939292163 0.10491490341828 0.23469650549800 15.999 > 70 71 O 0.06370939292163 0.10491490341828 0.56802983883133 15.999 > 70 72 O 0.06370939292163 0.10491490341828 0.90136317216466 15.999 > 70 73 O 0.39067380980368 0.39350552253096 0.12459552687631 15.999 > 73 74 O 0.39067380980368 0.39350552253096 0.45792886020965 15.999 > 73 75 O 0.39067380980368 0.39350552253096 0.79126219354298 15.999 > 73 76 O 0.60932619019632 0.89350552253097 0.20873780645702 15.999 > 76 77 O 0.60932619019632 0.89350552253097 0.54207113979035 15.999 > 76 78 O 0.60932619019632 0.89350552253097 0.87540447312369 15.999 > 76 79 O 0.69544701871952 0.96215854098755 0.04095783177580 15.999 > 79 80 O 0.69544701871952 0.96215854098755 0.37429116510914 15.999 > 79 81 O 0.69544701871952 0.96215854098755 0.70762449844247 15.999 > 79 82 O 0.10932619019632 0.60649447746903 0.29126219354298 15.999 > 82 83 O 0.10932619019632 0.60649447746903 0.62459552687631 15.999 > 82 84 O 0.10932619019632 0.60649447746903 0.95792886020965 15.999 > 82 85 O 0.39067380980368 0.10649447746903 0.12459552687631 15.999 > 85 86 O 0.39067380980368 0.10649447746903 0.45792886020965 15.999 > 85 87 O 0.39067380980368 0.10649447746903 0.79126219354298 15.999 > 85 88 O 0.06370939292163 0.39508509658172 0.23469650549800 15.999 > 88 89 O 0.06370939292163 0.39508509658172 0.56802983883133 15.999 > 88 90 O 0.06370939292163 0.39508509658172 0.90136317216466 15.999 > 88 91 O 0.43629060707837 0.89508509658172 0.06802983883133 15.999 > 91 92 O 0.43629060707837 0.89508509658172 0.40136317216466 15.999 > 91 93 O 0.43629060707837 0.89508509658172 0.73469650549800 15.999 > 91 94 O 0.36577002766853 0.25000000000000 0.26255616388218 15.999 > 94 95 O 0.36577002766853 0.25000000000000 0.59588949721551 15.999 > 94 96 O 0.36577002766853 0.25000000000000 0.92922283054885 15.999 > 94 97 O 0.13422997233147 0.75000000000000 0.09588949721551 15.999 > 97 98 O 0.13422997233147 0.75000000000000 0.42922283054885 15.999 > 97 99 O 0.13422997233147 0.75000000000000 0.76255616388218 15.999 > 97 100 O 0.43629060707837 0.60491490341828 0.06802983883133 15.999 > 100 101 O 0.43629060707837 0.60491490341828 0.40136317216466 15.999 > 100 102 O 0.43629060707837 0.60491490341828 0.73469650549800 15.999 > 100 103 O 0.93629060707837 0.60491490341828 0.09863682783534 15.999 > 103 104 O 0.93629060707837 0.60491490341828 0.43197016116867 15.999 > 103 105 O 0.93629060707837 0.60491490341828 0.76530349450200 15.999 > 103 106 O 0.89067380980368 0.39350552253096 0.04207113979035 15.999 > 106 107 O 0.89067380980368 0.39350552253096 0.37540447312369 15.999 > 106 108 O 0.89067380980368 0.39350552253096 0.70873780645702 15.999 > 106 109 O 0.80455298128048 0.03784145901245 0.20762449844247 15.999 > 109 110 O 0.80455298128048 0.03784145901245 0.54095783177580 15.999 > 109 111 O 0.80455298128048 0.03784145901245 0.87429116510914 15.999 > 109 112 O 0.69544701871952 0.53784145901245 0.04095783177580 15.999 > 112 113 O 0.69544701871952 0.53784145901245 0.37429116510914 15.999 > 112 114 O 0.69544701871952 0.53784145901245 0.70762449844247 15.999 > 112 115 O 0.60932619019632 0.60649447746903 0.20873780645702 15.999 > 115 116 O 0.60932619019632 0.60649447746903 0.54207113979035 15.999 > 115 117 O 0.60932619019632 0.60649447746903 0.87540447312369 15.999 > 115 118 O 0.80455298128048 0.46215854098755 0.20762449844247 15.999 > 118 119 O 0.80455298128048 0.46215854098755 0.54095783177580 15.999 > 118 120 O 0.80455298128048 0.46215854098755 0.87429116510914 15.999 > 118 121 O 0.10932619019632 0.89350552253097 0.29126219354298 15.999 > 121 122 O 0.10932619019632 0.89350552253097 0.62459552687631 15.999 > 121 123 O 0.10932619019632 0.89350552253097 0.95792886020965 15.999 > 121 124 O 0.63422997233147 0.75000000000000 0.07077716945115 15.999 > 124 125 O 0.63422997233147 0.75000000000000 0.40411050278449 15.999 > 124 126 O 0.63422997233147 0.75000000000000 0.73744383611782 15.999 > 124 127 O 0.86577002766853 0.25000000000000 0.23744383611782 15.999 > 127 128 O 0.86577002766853 0.25000000000000 0.57077716945115 15.999 > 127 129 O 0.86577002766853 0.25000000000000 0.90411050278449 15.999 > 127 130 O 0.30455298128048 0.03784145901245 0.29237550155753 15.999 > 130 131 O 0.30455298128048 0.03784145901245 0.62570883489086 15.999 > 130 132 O 0.30455298128048 0.03784145901245 0.95904216822420 15.999 > 130 133 O 0.30455298128048 0.46215854098755 0.29237550155753 15.999 > 133 134 O 0.30455298128048 0.46215854098755 0.62570883489086 15.999 > 133 135 O 0.30455298128048 0.46215854098755 0.95904216822420 15.999 > 133 136 O 0.56370939292163 0.10491490341828 0.26530349450200 15.999 > 136 137 O 0.56370939292163 0.10491490341828 0.59863682783534 15.999 > 136 138 O 0.56370939292163 0.10491490341828 0.93197016116867 15.999 > 136 139 O 0.89067380980368 0.10649447746903 0.04207113979035 15.999 > 139 140 O 0.89067380980368 0.10649447746903 0.37540447312369 15.999 > 139 141 O 0.89067380980368 0.10649447746903 0.70873780645702 15.999 > 139 142 O 0.19544701871952 0.96215854098755 0.12570883489086 15.999 > 142 143 O 0.19544701871952 0.96215854098755 0.45904216822420 15.999 > 142 144 O 0.19544701871952 0.96215854098755 0.79237550155753 15.999 > 142 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3436869 0.0000000 0.0000000 0.0000000 3.3261042 0.0000000 0.0000000 0.0000000 3.3261527 -------------------------- Born effective charges -------------------------- 1 Ba 2.8782691 0.0000000 0.0508667 -0.0000000 2.7590685 0.0000000 0.0508217 0.0000000 2.8394167 2 Ba 2.8782691 0.0000000 0.0508667 -0.0000000 2.7590685 0.0000000 0.0508217 0.0000000 2.8394167 3 Ba 2.8782691 0.0000000 -0.0508667 -0.0000000 2.7590685 0.0000000 -0.0508217 0.0000000 2.8394167 4 Ba 2.8782691 0.0000000 -0.0508667 -0.0000000 2.7590685 0.0000000 -0.0508217 0.0000000 2.8394167 5 B 2.6537493 0.0124118 0.1256031 -0.0757619 2.6419177 0.1454928 -0.0375304 -0.0055455 2.4409201 6 B 2.6537493 0.0124118 0.1256031 -0.0757619 2.6419177 0.1454928 -0.0375304 -0.0055455 2.4409201 7 B 2.4781417 0.2318017 -0.0389161 0.1265938 2.6274585 -0.0306411 -0.0144132 -0.0681258 2.5146075 8 B 2.4781417 -0.2318017 -0.0389161 -0.1265938 2.6274585 0.0306411 -0.0144132 0.0681258 2.5146075 9 B 2.4781417 -0.2318017 -0.0389161 -0.1265938 2.6274585 0.0306411 -0.0144132 0.0681258 2.5146075 10 B 2.6537493 -0.0124118 -0.1256031 0.0757619 2.6419177 0.1454928 0.0375304 -0.0055455 2.4409201 11 B 2.6537493 -0.0124118 0.1256031 0.0757619 2.6419177 -0.1454928 -0.0375304 0.0055455 2.4409201 12 B 2.6537493 -0.0124118 -0.1256031 0.0757619 2.6419177 0.1454928 0.0375304 -0.0055455 2.4409201 13 B 2.4781417 -0.2318017 0.0389161 -0.1265938 2.6274585 -0.0306411 0.0144132 -0.0681258 2.5146075 14 B 2.4781417 0.2318017 0.0389161 0.1265938 2.6274585 0.0306411 0.0144132 0.0681258 2.5146075 15 B 2.6537493 0.0124118 -0.1256031 -0.0757619 2.6419177 -0.1454928 0.0375304 0.0055455 2.4409201 16 B 2.4781417 -0.2318017 0.0389161 -0.1265938 2.6274585 -0.0306411 0.0144132 -0.0681258 2.5146075 17 B 2.4781417 0.2318017 0.0389161 0.1265938 2.6274585 0.0306411 0.0144132 0.0681258 2.5146075 18 B 2.6537493 0.0124118 -0.1256031 -0.0757619 2.6419177 -0.1454928 0.0375304 0.0055455 2.4409201 19 B 2.4781417 0.2318017 -0.0389161 0.1265938 2.6274585 -0.0306411 -0.0144132 -0.0681258 2.5146075 20 B 2.6537493 -0.0124118 0.1256031 0.0757619 2.6419177 -0.1454928 -0.0375304 0.0055455 2.4409201 21 O -1.9519429 0.3690678 0.2462217 0.3568437 -1.5183746 0.2901311 0.1247313 0.3262514 -2.0637427 22 O -2.3456143 0.6186145 0.1978017 0.5203322 -1.8987257 0.0452883 0.2068167 0.0048239 -1.4608406 23 O -2.3456143 -0.6186145 -0.1978017 -0.5203322 -1.8987257 0.0452883 -0.2068167 0.0048239 -1.4608406 24 O -2.3456143 0.6186145 0.1978017 0.5203322 -1.8987257 0.0452883 0.2068167 0.0048239 -1.4608406 25 O -1.5352354 0.2238149 -0.3055076 0.2011795 -1.8682818 0.5019954 -0.2481737 0.4890909 -2.1439074 26 O -1.5352354 -0.2238149 -0.3055076 -0.2011795 -1.8682818 -0.5019954 -0.2481737 -0.4890909 -2.1439074 27 O -1.9519429 -0.3690678 -0.2462217 -0.3568437 -1.5183746 0.2901311 -0.1247313 0.3262514 -2.0637427 28 O -1.5352354 0.2238149 0.3055076 0.2011795 -1.8682818 -0.5019954 0.2481737 -0.4890909 -2.1439074 29 O -1.5352354 -0.2238149 -0.3055076 -0.2011795 -1.8682818 -0.5019954 -0.2481737 -0.4890909 -2.1439074 30 O -2.3456143 -0.6186145 0.1978017 -0.5203322 -1.8987257 -0.0452883 0.2068167 -0.0048239 -1.4608406 31 O -2.3456143 0.6186145 -0.1978017 0.5203322 -1.8987257 -0.0452883 -0.2068167 -0.0048239 -1.4608406 32 O -1.4764658 0.0000000 0.1436676 -0.0000000 -2.7270567 0.0000000 0.1654386 0.0000000 -1.4134905 33 O -1.4764658 0.0000000 -0.1436676 -0.0000000 -2.7270567 0.0000000 -0.1654386 0.0000000 -1.4134905 34 O -2.3456143 -0.6186145 -0.1978017 -0.5203322 -1.8987257 0.0452883 -0.2068167 0.0048239 -1.4608406 35 O -2.3456143 -0.6186145 0.1978017 -0.5203322 -1.8987257 -0.0452883 0.2068167 -0.0048239 -1.4608406 36 O -1.5352354 0.2238149 0.3055076 0.2011795 -1.8682818 -0.5019954 0.2481737 -0.4890909 -2.1439074 37 O -1.9519429 -0.3690678 0.2462217 -0.3568437 -1.5183746 -0.2901311 0.1247313 -0.3262514 -2.0637427 38 O -1.9519429 0.3690678 -0.2462217 0.3568437 -1.5183746 -0.2901311 -0.1247313 -0.3262514 -2.0637427 39 O -1.5352354 0.2238149 -0.3055076 0.2011795 -1.8682818 0.5019954 -0.2481737 0.4890909 -2.1439074 40 O -1.9519429 0.3690678 0.2462217 0.3568437 -1.5183746 0.2901311 0.1247313 0.3262514 -2.0637427 41 O -1.5352354 -0.2238149 0.3055076 -0.2011795 -1.8682818 0.5019954 0.2481737 0.4890909 -2.1439074 42 O -1.4764658 0.0000000 0.1436676 -0.0000000 -2.7270567 0.0000000 0.1654386 0.0000000 -1.4134905 43 O -1.4764658 0.0000000 -0.1436676 -0.0000000 -2.7270567 0.0000000 -0.1654386 0.0000000 -1.4134905 44 O -1.9519429 -0.3690678 -0.2462217 -0.3568437 -1.5183746 0.2901311 -0.1247313 0.3262514 -2.0637427 45 O -1.9519429 0.3690678 -0.2462217 0.3568437 -1.5183746 -0.2901311 -0.1247313 -0.3262514 -2.0637427 46 O -2.3456143 0.6186145 -0.1978017 0.5203322 -1.8987257 -0.0452883 -0.2068167 -0.0048239 -1.4608406 47 O -1.5352354 -0.2238149 0.3055076 -0.2011795 -1.8682818 0.5019954 0.2481737 0.4890909 -2.1439074 48 O -1.9519429 -0.3690678 0.2462217 -0.3568437 -1.5183746 -0.2901311 0.1247313 -0.3262514 -2.0637427 ---------------------------------------------------------------------------- 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, 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[ 61, 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[ 64, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 94, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyy) -0.00000000 (xyy) -0.00000000 (xyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:10:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:10:42]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.017171530000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.010777100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.302673470000000 Atomic positions (fractional): 1 Ba 0.35311974451917 0.75000000000000 0.72970439808165 137.327 2 Ba 0.64688025548083 0.25000000000000 0.27029560191835 137.327 3 Ba 0.14688025548083 0.25000000000000 0.22970439808165 137.327 4 Ba 0.85311974451917 0.75000000000000 0.77029560191835 137.327 5 B 0.41042548729133 0.12654673724913 0.70656692051782 10.811 6 B 0.58957451270867 0.87345326275087 0.29343307948218 10.811 7 B 0.65813385235202 0.49956929625805 0.77988055815511 10.811 8 B 0.34186614764798 0.99956929625805 0.22011944184489 10.811 9 B 0.65813385235202 0.00043070374195 0.77988055815511 10.811 10 B 0.91042548729133 0.37345326275087 0.79343307948218 10.811 11 B 0.41042548729133 0.37345326275087 0.70656692051782 10.811 12 B 0.08957451270867 0.62654673724913 0.20656692051782 10.811 13 B 0.15813385235202 0.00043070374195 0.72011944184489 10.811 14 B 0.84186614764798 0.50043070374195 0.27988055815511 10.811 15 B 0.91042548729133 0.12654673724913 0.79343307948218 10.811 16 B 0.84186614764798 0.99956929625805 0.27988055815511 10.811 17 B 0.15813385235202 0.49956929625805 0.72011944184489 10.811 18 B 0.08957451270867 0.87345326275087 0.20656692051782 10.811 19 B 0.34186614764798 0.50043070374195 0.22011944184489 10.811 20 B 0.58957451270867 0.62654673724913 0.29343307948218 10.811 21 O 0.19544701871952 0.53784145901245 0.37712650467259 15.999 22 O 0.93629060707837 0.89508509658172 0.29591048350601 15.999 23 O 0.56370939292163 0.39508509658172 0.79591048350601 15.999 24 O 0.06370939292163 0.10491490341828 0.70408951649399 15.999 25 O 0.39067380980368 0.39350552253096 0.37378658062894 15.999 26 O 0.60932619019632 0.89350552253097 0.62621341937106 15.999 27 O 0.69544701871952 0.96215854098755 0.12287349532741 15.999 28 O 0.10932619019632 0.60649447746903 0.87378658062894 15.999 29 O 0.39067380980368 0.10649447746903 0.37378658062894 15.999 30 O 0.06370939292163 0.39508509658172 0.70408951649399 15.999 31 O 0.43629060707837 0.89508509658172 0.20408951649399 15.999 32 O 0.36577002766853 0.25000000000000 0.78766849164654 15.999 33 O 0.13422997233147 0.75000000000000 0.28766849164654 15.999 34 O 0.43629060707837 0.60491490341828 0.20408951649399 15.999 35 O 0.93629060707837 0.60491490341828 0.29591048350601 15.999 36 O 0.89067380980368 0.39350552253096 0.12621341937106 15.999 37 O 0.80455298128048 0.03784145901245 0.62287349532741 15.999 38 O 0.69544701871952 0.53784145901245 0.12287349532741 15.999 39 O 0.60932619019632 0.60649447746903 0.62621341937106 15.999 40 O 0.80455298128048 0.46215854098755 0.62287349532741 15.999 41 O 0.10932619019632 0.89350552253097 0.87378658062894 15.999 42 O 0.63422997233147 0.75000000000000 0.21233150835346 15.999 43 O 0.86577002766853 0.25000000000000 0.71233150835346 15.999 44 O 0.30455298128048 0.03784145901245 0.87712650467259 15.999 45 O 0.30455298128048 0.46215854098755 0.87712650467259 15.999 46 O 0.56370939292163 0.10491490341828 0.79591048350601 15.999 47 O 0.89067380980368 0.10649447746903 0.12621341937106 15.999 48 O 0.19544701871952 0.96215854098755 0.37712650467259 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.017171530000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.010777100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.908020410000001 Atomic positions (fractional): 1 Ba 0.35311974451917 0.75000000000000 0.24323479936055 137.327 > 1 2 Ba 0.35311974451917 0.75000000000000 0.57656813269388 137.327 > 1 3 Ba 0.35311974451917 0.75000000000000 0.90990146602722 137.327 > 1 4 Ba 0.64688025548083 0.25000000000000 0.09009853397278 137.327 > 4 5 Ba 0.64688025548083 0.25000000000000 0.42343186730612 137.327 > 4 6 Ba 0.64688025548083 0.25000000000000 0.75676520063945 137.327 > 4 7 Ba 0.14688025548083 0.25000000000000 0.07656813269388 137.327 > 7 8 Ba 0.14688025548083 0.25000000000000 0.40990146602722 137.327 > 7 9 Ba 0.14688025548083 0.25000000000000 0.74323479936055 137.327 > 7 10 Ba 0.85311974451917 0.75000000000000 0.25676520063945 137.327 > 10 11 Ba 0.85311974451917 0.75000000000000 0.59009853397278 137.327 > 10 12 Ba 0.85311974451917 0.75000000000000 0.92343186730612 137.327 > 10 13 B 0.41042548729133 0.12654673724913 0.23552230683927 10.811 > 13 14 B 0.41042548729133 0.12654673724913 0.56885564017261 10.811 > 13 15 B 0.41042548729133 0.12654673724913 0.90218897350594 10.811 > 13 16 B 0.58957451270867 0.87345326275087 0.09781102649406 10.811 > 16 17 B 0.58957451270867 0.87345326275087 0.43114435982739 10.811 > 16 18 B 0.58957451270867 0.87345326275087 0.76447769316073 10.811 > 16 19 B 0.65813385235202 0.49956929625805 0.25996018605170 10.811 > 19 20 B 0.65813385235202 0.49956929625805 0.59329351938504 10.811 > 19 21 B 0.65813385235202 0.49956929625805 0.92662685271837 10.811 > 19 22 B 0.34186614764798 0.99956929625805 0.07337314728163 10.811 > 22 23 B 0.34186614764798 0.99956929625805 0.40670648061496 10.811 > 22 24 B 0.34186614764798 0.99956929625805 0.74003981394830 10.811 > 22 25 B 0.65813385235202 0.00043070374195 0.25996018605170 10.811 > 25 26 B 0.65813385235202 0.00043070374195 0.59329351938504 10.811 > 25 27 B 0.65813385235202 0.00043070374195 0.92662685271837 10.811 > 25 28 B 0.91042548729133 0.37345326275087 0.26447769316073 10.811 > 28 29 B 0.91042548729133 0.37345326275087 0.59781102649406 10.811 > 28 30 B 0.91042548729133 0.37345326275087 0.93114435982739 10.811 > 28 31 B 0.41042548729133 0.37345326275087 0.23552230683927 10.811 > 31 32 B 0.41042548729133 0.37345326275087 0.56885564017261 10.811 > 31 33 B 0.41042548729133 0.37345326275087 0.90218897350594 10.811 > 31 34 B 0.08957451270867 0.62654673724913 0.06885564017261 10.811 > 34 35 B 0.08957451270867 0.62654673724913 0.40218897350594 10.811 > 34 36 B 0.08957451270867 0.62654673724913 0.73552230683927 10.811 > 34 37 B 0.15813385235202 0.00043070374195 0.24003981394830 10.811 > 37 38 B 0.15813385235202 0.00043070374195 0.57337314728163 10.811 > 37 39 B 0.15813385235202 0.00043070374195 0.90670648061496 10.811 > 37 40 B 0.84186614764798 0.50043070374195 0.09329351938504 10.811 > 40 41 B 0.84186614764798 0.50043070374195 0.42662685271837 10.811 > 40 42 B 0.84186614764798 0.50043070374195 0.75996018605170 10.811 > 40 43 B 0.91042548729133 0.12654673724913 0.26447769316073 10.811 > 43 44 B 0.91042548729133 0.12654673724913 0.59781102649406 10.811 > 43 45 B 0.91042548729133 0.12654673724913 0.93114435982739 10.811 > 43 46 B 0.84186614764798 0.99956929625805 0.09329351938504 10.811 > 46 47 B 0.84186614764798 0.99956929625805 0.42662685271837 10.811 > 46 48 B 0.84186614764798 0.99956929625805 0.75996018605170 10.811 > 46 49 B 0.15813385235202 0.49956929625805 0.24003981394830 10.811 > 49 50 B 0.15813385235202 0.49956929625805 0.57337314728163 10.811 > 49 51 B 0.15813385235202 0.49956929625805 0.90670648061496 10.811 > 49 52 B 0.08957451270867 0.87345326275087 0.06885564017261 10.811 > 52 53 B 0.08957451270867 0.87345326275087 0.40218897350594 10.811 > 52 54 B 0.08957451270867 0.87345326275087 0.73552230683927 10.811 > 52 55 B 0.34186614764798 0.50043070374195 0.07337314728163 10.811 > 55 56 B 0.34186614764798 0.50043070374195 0.40670648061496 10.811 > 55 57 B 0.34186614764798 0.50043070374195 0.74003981394830 10.811 > 55 58 B 0.58957451270867 0.62654673724913 0.09781102649406 10.811 > 58 59 B 0.58957451270867 0.62654673724913 0.43114435982739 10.811 > 58 60 B 0.58957451270867 0.62654673724913 0.76447769316073 10.811 > 58 61 O 0.19544701871952 0.53784145901245 0.12570883489086 15.999 > 61 62 O 0.19544701871952 0.53784145901245 0.45904216822420 15.999 > 61 63 O 0.19544701871952 0.53784145901245 0.79237550155753 15.999 > 61 64 O 0.93629060707837 0.89508509658172 0.09863682783534 15.999 > 64 65 O 0.93629060707837 0.89508509658172 0.43197016116867 15.999 > 64 66 O 0.93629060707837 0.89508509658172 0.76530349450200 15.999 > 64 67 O 0.56370939292163 0.39508509658172 0.26530349450200 15.999 > 67 68 O 0.56370939292163 0.39508509658172 0.59863682783534 15.999 > 67 69 O 0.56370939292163 0.39508509658172 0.93197016116867 15.999 > 67 70 O 0.06370939292163 0.10491490341828 0.23469650549800 15.999 > 70 71 O 0.06370939292163 0.10491490341828 0.56802983883133 15.999 > 70 72 O 0.06370939292163 0.10491490341828 0.90136317216466 15.999 > 70 73 O 0.39067380980368 0.39350552253096 0.12459552687631 15.999 > 73 74 O 0.39067380980368 0.39350552253096 0.45792886020965 15.999 > 73 75 O 0.39067380980368 0.39350552253096 0.79126219354298 15.999 > 73 76 O 0.60932619019632 0.89350552253097 0.20873780645702 15.999 > 76 77 O 0.60932619019632 0.89350552253097 0.54207113979035 15.999 > 76 78 O 0.60932619019632 0.89350552253097 0.87540447312369 15.999 > 76 79 O 0.69544701871952 0.96215854098755 0.04095783177580 15.999 > 79 80 O 0.69544701871952 0.96215854098755 0.37429116510914 15.999 > 79 81 O 0.69544701871952 0.96215854098755 0.70762449844247 15.999 > 79 82 O 0.10932619019632 0.60649447746903 0.29126219354298 15.999 > 82 83 O 0.10932619019632 0.60649447746903 0.62459552687631 15.999 > 82 84 O 0.10932619019632 0.60649447746903 0.95792886020965 15.999 > 82 85 O 0.39067380980368 0.10649447746903 0.12459552687631 15.999 > 85 86 O 0.39067380980368 0.10649447746903 0.45792886020965 15.999 > 85 87 O 0.39067380980368 0.10649447746903 0.79126219354298 15.999 > 85 88 O 0.06370939292163 0.39508509658172 0.23469650549800 15.999 > 88 89 O 0.06370939292163 0.39508509658172 0.56802983883133 15.999 > 88 90 O 0.06370939292163 0.39508509658172 0.90136317216466 15.999 > 88 91 O 0.43629060707837 0.89508509658172 0.06802983883133 15.999 > 91 92 O 0.43629060707837 0.89508509658172 0.40136317216466 15.999 > 91 93 O 0.43629060707837 0.89508509658172 0.73469650549800 15.999 > 91 94 O 0.36577002766853 0.25000000000000 0.26255616388218 15.999 > 94 95 O 0.36577002766853 0.25000000000000 0.59588949721551 15.999 > 94 96 O 0.36577002766853 0.25000000000000 0.92922283054885 15.999 > 94 97 O 0.13422997233147 0.75000000000000 0.09588949721551 15.999 > 97 98 O 0.13422997233147 0.75000000000000 0.42922283054885 15.999 > 97 99 O 0.13422997233147 0.75000000000000 0.76255616388218 15.999 > 97 100 O 0.43629060707837 0.60491490341828 0.06802983883133 15.999 > 100 101 O 0.43629060707837 0.60491490341828 0.40136317216466 15.999 > 100 102 O 0.43629060707837 0.60491490341828 0.73469650549800 15.999 > 100 103 O 0.93629060707837 0.60491490341828 0.09863682783534 15.999 > 103 104 O 0.93629060707837 0.60491490341828 0.43197016116867 15.999 > 103 105 O 0.93629060707837 0.60491490341828 0.76530349450200 15.999 > 103 106 O 0.89067380980368 0.39350552253096 0.04207113979035 15.999 > 106 107 O 0.89067380980368 0.39350552253096 0.37540447312369 15.999 > 106 108 O 0.89067380980368 0.39350552253096 0.70873780645702 15.999 > 106 109 O 0.80455298128048 0.03784145901245 0.20762449844247 15.999 > 109 110 O 0.80455298128048 0.03784145901245 0.54095783177580 15.999 > 109 111 O 0.80455298128048 0.03784145901245 0.87429116510914 15.999 > 109 112 O 0.69544701871952 0.53784145901245 0.04095783177580 15.999 > 112 113 O 0.69544701871952 0.53784145901245 0.37429116510914 15.999 > 112 114 O 0.69544701871952 0.53784145901245 0.70762449844247 15.999 > 112 115 O 0.60932619019632 0.60649447746903 0.20873780645702 15.999 > 115 116 O 0.60932619019632 0.60649447746903 0.54207113979035 15.999 > 115 117 O 0.60932619019632 0.60649447746903 0.87540447312369 15.999 > 115 118 O 0.80455298128048 0.46215854098755 0.20762449844247 15.999 > 118 119 O 0.80455298128048 0.46215854098755 0.54095783177580 15.999 > 118 120 O 0.80455298128048 0.46215854098755 0.87429116510914 15.999 > 118 121 O 0.10932619019632 0.89350552253097 0.29126219354298 15.999 > 121 122 O 0.10932619019632 0.89350552253097 0.62459552687631 15.999 > 121 123 O 0.10932619019632 0.89350552253097 0.95792886020965 15.999 > 121 124 O 0.63422997233147 0.75000000000000 0.07077716945115 15.999 > 124 125 O 0.63422997233147 0.75000000000000 0.40411050278449 15.999 > 124 126 O 0.63422997233147 0.75000000000000 0.73744383611782 15.999 > 124 127 O 0.86577002766853 0.25000000000000 0.23744383611782 15.999 > 127 128 O 0.86577002766853 0.25000000000000 0.57077716945115 15.999 > 127 129 O 0.86577002766853 0.25000000000000 0.90411050278449 15.999 > 127 130 O 0.30455298128048 0.03784145901245 0.29237550155753 15.999 > 130 131 O 0.30455298128048 0.03784145901245 0.62570883489086 15.999 > 130 132 O 0.30455298128048 0.03784145901245 0.95904216822420 15.999 > 130 133 O 0.30455298128048 0.46215854098755 0.29237550155753 15.999 > 133 134 O 0.30455298128048 0.46215854098755 0.62570883489086 15.999 > 133 135 O 0.30455298128048 0.46215854098755 0.95904216822420 15.999 > 133 136 O 0.56370939292163 0.10491490341828 0.26530349450200 15.999 > 136 137 O 0.56370939292163 0.10491490341828 0.59863682783534 15.999 > 136 138 O 0.56370939292163 0.10491490341828 0.93197016116867 15.999 > 136 139 O 0.89067380980368 0.10649447746903 0.04207113979035 15.999 > 139 140 O 0.89067380980368 0.10649447746903 0.37540447312369 15.999 > 139 141 O 0.89067380980368 0.10649447746903 0.70873780645702 15.999 > 139 142 O 0.19544701871952 0.96215854098755 0.12570883489086 15.999 > 142 143 O 0.19544701871952 0.96215854098755 0.45904216822420 15.999 > 142 144 O 0.19544701871952 0.96215854098755 0.79237550155753 15.999 > 142 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3436869 0.0000000 0.0000000 0.0000000 3.3261042 0.0000000 0.0000000 0.0000000 3.3261527 -------------------------- Born effective charges -------------------------- 1 Ba 2.8782691 0.0000000 0.0508667 -0.0000000 2.7590685 0.0000000 0.0508217 0.0000000 2.8394167 2 Ba 2.8782691 0.0000000 0.0508667 -0.0000000 2.7590685 0.0000000 0.0508217 0.0000000 2.8394167 3 Ba 2.8782691 0.0000000 -0.0508667 -0.0000000 2.7590685 0.0000000 -0.0508217 0.0000000 2.8394167 4 Ba 2.8782691 0.0000000 -0.0508667 -0.0000000 2.7590685 0.0000000 -0.0508217 0.0000000 2.8394167 5 B 2.6537493 0.0124118 0.1256031 -0.0757619 2.6419177 0.1454928 -0.0375304 -0.0055455 2.4409201 6 B 2.6537493 0.0124118 0.1256031 -0.0757619 2.6419177 0.1454928 -0.0375304 -0.0055455 2.4409201 7 B 2.4781417 0.2318017 -0.0389161 0.1265938 2.6274585 -0.0306411 -0.0144132 -0.0681258 2.5146075 8 B 2.4781417 -0.2318017 -0.0389161 -0.1265938 2.6274585 0.0306411 -0.0144132 0.0681258 2.5146075 9 B 2.4781417 -0.2318017 -0.0389161 -0.1265938 2.6274585 0.0306411 -0.0144132 0.0681258 2.5146075 10 B 2.6537493 -0.0124118 -0.1256031 0.0757619 2.6419177 0.1454928 0.0375304 -0.0055455 2.4409201 11 B 2.6537493 -0.0124118 0.1256031 0.0757619 2.6419177 -0.1454928 -0.0375304 0.0055455 2.4409201 12 B 2.6537493 -0.0124118 -0.1256031 0.0757619 2.6419177 0.1454928 0.0375304 -0.0055455 2.4409201 13 B 2.4781417 -0.2318017 0.0389161 -0.1265938 2.6274585 -0.0306411 0.0144132 -0.0681258 2.5146075 14 B 2.4781417 0.2318017 0.0389161 0.1265938 2.6274585 0.0306411 0.0144132 0.0681258 2.5146075 15 B 2.6537493 0.0124118 -0.1256031 -0.0757619 2.6419177 -0.1454928 0.0375304 0.0055455 2.4409201 16 B 2.4781417 -0.2318017 0.0389161 -0.1265938 2.6274585 -0.0306411 0.0144132 -0.0681258 2.5146075 17 B 2.4781417 0.2318017 0.0389161 0.1265938 2.6274585 0.0306411 0.0144132 0.0681258 2.5146075 18 B 2.6537493 0.0124118 -0.1256031 -0.0757619 2.6419177 -0.1454928 0.0375304 0.0055455 2.4409201 19 B 2.4781417 0.2318017 -0.0389161 0.1265938 2.6274585 -0.0306411 -0.0144132 -0.0681258 2.5146075 20 B 2.6537493 -0.0124118 0.1256031 0.0757619 2.6419177 -0.1454928 -0.0375304 0.0055455 2.4409201 21 O -1.9519429 0.3690678 0.2462217 0.3568437 -1.5183746 0.2901311 0.1247313 0.3262514 -2.0637427 22 O -2.3456143 0.6186145 0.1978017 0.5203322 -1.8987257 0.0452883 0.2068167 0.0048239 -1.4608406 23 O -2.3456143 -0.6186145 -0.1978017 -0.5203322 -1.8987257 0.0452883 -0.2068167 0.0048239 -1.4608406 24 O -2.3456143 0.6186145 0.1978017 0.5203322 -1.8987257 0.0452883 0.2068167 0.0048239 -1.4608406 25 O -1.5352354 0.2238149 -0.3055076 0.2011795 -1.8682818 0.5019954 -0.2481737 0.4890909 -2.1439074 26 O -1.5352354 -0.2238149 -0.3055076 -0.2011795 -1.8682818 -0.5019954 -0.2481737 -0.4890909 -2.1439074 27 O -1.9519429 -0.3690678 -0.2462217 -0.3568437 -1.5183746 0.2901311 -0.1247313 0.3262514 -2.0637427 28 O -1.5352354 0.2238149 0.3055076 0.2011795 -1.8682818 -0.5019954 0.2481737 -0.4890909 -2.1439074 29 O -1.5352354 -0.2238149 -0.3055076 -0.2011795 -1.8682818 -0.5019954 -0.2481737 -0.4890909 -2.1439074 30 O -2.3456143 -0.6186145 0.1978017 -0.5203322 -1.8987257 -0.0452883 0.2068167 -0.0048239 -1.4608406 31 O -2.3456143 0.6186145 -0.1978017 0.5203322 -1.8987257 -0.0452883 -0.2068167 -0.0048239 -1.4608406 32 O -1.4764658 0.0000000 0.1436676 -0.0000000 -2.7270567 0.0000000 0.1654386 0.0000000 -1.4134905 33 O -1.4764658 0.0000000 -0.1436676 -0.0000000 -2.7270567 0.0000000 -0.1654386 0.0000000 -1.4134905 34 O -2.3456143 -0.6186145 -0.1978017 -0.5203322 -1.8987257 0.0452883 -0.2068167 0.0048239 -1.4608406 35 O -2.3456143 -0.6186145 0.1978017 -0.5203322 -1.8987257 -0.0452883 0.2068167 -0.0048239 -1.4608406 36 O -1.5352354 0.2238149 0.3055076 0.2011795 -1.8682818 -0.5019954 0.2481737 -0.4890909 -2.1439074 37 O -1.9519429 -0.3690678 0.2462217 -0.3568437 -1.5183746 -0.2901311 0.1247313 -0.3262514 -2.0637427 38 O -1.9519429 0.3690678 -0.2462217 0.3568437 -1.5183746 -0.2901311 -0.1247313 -0.3262514 -2.0637427 39 O -1.5352354 0.2238149 -0.3055076 0.2011795 -1.8682818 0.5019954 -0.2481737 0.4890909 -2.1439074 40 O -1.9519429 0.3690678 0.2462217 0.3568437 -1.5183746 0.2901311 0.1247313 0.3262514 -2.0637427 41 O -1.5352354 -0.2238149 0.3055076 -0.2011795 -1.8682818 0.5019954 0.2481737 0.4890909 -2.1439074 42 O -1.4764658 0.0000000 0.1436676 -0.0000000 -2.7270567 0.0000000 0.1654386 0.0000000 -1.4134905 43 O -1.4764658 0.0000000 -0.1436676 -0.0000000 -2.7270567 0.0000000 -0.1654386 0.0000000 -1.4134905 44 O -1.9519429 -0.3690678 -0.2462217 -0.3568437 -1.5183746 0.2901311 -0.1247313 0.3262514 -2.0637427 45 O -1.9519429 0.3690678 -0.2462217 0.3568437 -1.5183746 -0.2901311 -0.1247313 -0.3262514 -2.0637427 46 O -2.3456143 0.6186145 -0.1978017 0.5203322 -1.8987257 -0.0452883 -0.2068167 -0.0048239 -1.4608406 47 O -1.5352354 -0.2238149 0.3055076 -0.2011795 -1.8682818 0.5019954 0.2481737 0.4890909 -2.1439074 48 O -1.9519429 -0.3690678 0.2462217 -0.3568437 -1.5183746 -0.2901311 0.1247313 -0.3262514 -2.0637427 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyy) -0.00000000 (xyy) -0.00000000 (xyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 5 12 ] 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: 0.55, Number of G-points: 309, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 2.732 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.166 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.171 ( 0.000 0.000 0.000) 0.000 5.426 ( 0.000 0.000 0.000) 0.000 6.189 ( 0.000 0.000 0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.476 ( 0.000 0.000 0.000) 0.000 7.498 ( 0.000 0.000 0.000) 0.000 7.845 ( 0.000 0.000 0.000) 0.000 7.890 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 8.122 ( 0.000 0.000 0.000) 0.000 8.265 ( 0.000 0.000 0.000) 0.000 8.924 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 9.752 ( 0.000 0.000 0.000) 0.000 9.820 ( 0.000 0.000 0.000) 0.000 9.894 ( 0.000 0.000 0.000) 0.000 10.318 ( 0.000 0.000 0.000) 0.000 10.499 ( 0.000 0.000 0.000) 0.000 11.168 ( 0.000 0.000 0.000) 0.000 11.512 ( 0.000 0.000 0.000) 0.000 11.566 ( 0.000 0.000 0.000) 0.000 11.575 ( 0.000 0.000 0.000) 0.000 11.598 ( 0.000 0.000 0.000) 0.000 11.855 ( 0.000 0.000 0.000) 0.000 12.068 ( 0.000 0.000 0.000) 0.000 12.144 ( 0.000 0.000 0.000) 0.000 12.924 ( 0.000 0.000 0.000) 0.000 13.164 ( 0.000 0.000 0.000) 0.000 13.175 ( 0.000 0.000 0.000) 0.000 13.306 ( 0.000 0.000 0.000) 0.000 13.411 ( 0.000 0.000 0.000) 0.000 13.611 ( 0.000 0.000 0.000) 0.000 13.996 ( 0.000 0.000 0.000) 0.000 14.027 ( 0.000 0.000 0.000) 0.000 14.291 ( 0.000 0.000 0.000) 0.000 14.406 ( 0.000 0.000 0.000) 0.000 14.666 ( 0.000 0.000 0.000) 0.000 15.453 ( 0.000 0.000 0.000) 0.000 16.168 ( 0.000 0.000 0.000) 0.000 16.240 ( 0.000 0.000 0.000) 0.000 16.508 ( 0.000 0.000 0.000) 0.000 16.533 ( 0.000 0.000 0.000) 0.000 16.757 ( 0.000 0.000 0.000) 0.000 16.765 ( 0.000 0.000 0.000) 0.000 16.844 ( 0.000 0.000 0.000) 0.000 16.891 ( 0.000 0.000 0.000) 0.000 17.497 ( 0.000 0.000 0.000) 0.000 17.550 ( 0.000 0.000 0.000) 0.000 17.859 ( 0.000 0.000 0.000) 0.000 17.931 ( 0.000 0.000 0.000) 0.000 18.275 ( 0.000 0.000 0.000) 0.000 18.769 ( 0.000 0.000 0.000) 0.000 19.112 ( 0.000 0.000 0.000) 0.000 19.129 ( 0.000 0.000 0.000) 0.000 19.150 ( 0.000 0.000 0.000) 0.000 19.171 ( 0.000 0.000 0.000) 0.000 19.316 ( 0.000 0.000 0.000) 0.000 19.858 ( 0.000 0.000 0.000) 0.000 19.877 ( 0.000 0.000 0.000) 0.000 20.054 ( 0.000 0.000 0.000) 0.000 20.105 ( 0.000 0.000 0.000) 0.000 20.378 ( 0.000 0.000 0.000) 0.000 20.643 ( 0.000 0.000 0.000) 0.000 20.730 ( 0.000 0.000 0.000) 0.000 20.972 ( 0.000 0.000 0.000) 0.000 21.576 ( 0.000 0.000 0.000) 0.000 21.674 ( 0.000 0.000 0.000) 0.000 22.108 ( 0.000 0.000 0.000) 0.000 22.198 ( 0.000 0.000 0.000) 0.000 22.578 ( 0.000 0.000 0.000) 0.000 22.606 ( 0.000 0.000 0.000) 0.000 22.717 ( 0.000 0.000 0.000) 0.000 22.762 ( 0.000 0.000 0.000) 0.000 22.930 ( 0.000 0.000 0.000) 0.000 23.069 ( 0.000 0.000 0.000) 0.000 23.133 ( 0.000 0.000 0.000) 0.000 23.194 ( 0.000 0.000 0.000) 0.000 23.274 ( 0.000 0.000 0.000) 0.000 23.344 ( 0.000 0.000 0.000) 0.000 25.422 ( 0.000 0.000 0.000) 0.000 25.844 ( 0.000 0.000 0.000) 0.000 25.953 ( 0.000 0.000 0.000) 0.000 26.085 ( 0.000 0.000 0.000) 0.000 26.197 ( 0.000 0.000 0.000) 0.000 26.449 ( 0.000 0.000 0.000) 0.000 26.642 ( 0.000 0.000 0.000) 0.000 27.179 ( 0.000 0.000 0.000) 0.000 27.270 ( 0.000 0.000 0.000) 0.000 27.461 ( 0.000 0.000 0.000) 0.000 27.685 ( 0.000 0.000 0.000) 0.000 28.032 ( 0.000 0.000 0.000) 0.000 28.069 ( 0.000 0.000 0.000) 0.000 28.132 ( 0.000 0.000 0.000) 0.000 28.475 ( 0.000 0.000 0.000) 0.000 28.495 ( 0.000 0.000 0.000) 0.000 29.073 ( 0.000 0.000 0.000) 0.000 29.435 ( 0.000 0.000 0.000) 0.000 29.506 ( 0.000 0.000 0.000) 0.000 29.635 ( 0.000 0.000 0.000) 0.000 29.791 ( 0.000 0.000 0.000) 0.000 29.817 ( 0.000 0.000 0.000) 0.000 30.102 ( 0.000 0.000 0.000) 0.000 30.141 ( 0.000 0.000 0.000) 0.000 30.572 ( 0.000 0.000 0.000) 0.000 30.624 ( 0.000 0.000 0.000) 0.000 31.400 ( 0.000 0.000 0.000) 0.000 31.408 ( 0.000 0.000 0.000) 0.000 31.704 ( 0.000 0.000 0.000) 0.000 31.903 ( 0.000 0.000 0.000) 0.000 32.366 ( 0.000 0.000 0.000) 0.000 32.761 ( 0.000 0.000 0.000) 0.000 32.862 ( 0.000 0.000 0.000) 0.000 33.139 ( 0.000 0.000 0.000) 0.000 33.752 ( 0.000 0.000 0.000) 0.000 33.788 ( 0.000 0.000 0.000) 0.000 34.374 ( 0.000 0.000 0.000) 0.000 34.980 ( 0.000 0.000 0.000) 0.000 35.022 ( 0.000 0.000 0.000) 0.000 35.971 ( 0.000 0.000 0.000) 0.000 36.003 ( 0.000 0.000 0.000) 0.000 36.247 ( 0.000 0.000 0.000) 0.000 36.312 ( 0.000 0.000 0.000) 0.000 39.603 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 48.691 0.000 0.000) 48.691 0.971 ( 51.486 0.000 0.000) 51.486 1.556 ( 77.742 0.000 0.000) 77.742 2.546 ( 4.441 0.000 0.000) 4.441 2.745 ( 1.093 0.000 0.000) 1.093 2.819 ( 2.053 0.000 0.000) 2.053 2.976 ( -5.290 0.000 0.000) 5.290 3.023 ( 1.806 0.000 0.000) 1.806 3.196 ( 3.179 0.000 0.000) 3.179 3.442 ( -7.294 0.000 0.000) 7.294 3.759 ( -1.740 0.000 0.000) 1.740 3.884 ( -10.157 0.000 0.000) 10.157 4.212 ( -0.210 0.000 0.000) 0.210 4.427 ( 0.636 0.000 0.000) 0.636 4.840 ( -8.244 0.000 0.000) 8.244 4.865 ( 15.381 0.000 0.000) 15.381 5.144 ( 9.042 0.000 0.000) 9.042 5.348 ( 20.327 0.000 0.000) 20.327 5.527 ( 10.585 0.000 0.000) 10.585 5.539 ( 37.028 0.000 0.000) 37.028 5.762 ( -33.694 0.000 0.000) 33.694 6.374 ( 6.795 0.000 0.000) 6.795 6.773 ( 11.502 0.000 0.000) 11.502 7.048 ( 0.758 0.000 0.000) 0.758 7.196 ( -17.863 0.000 0.000) 17.863 7.494 ( -1.729 0.000 0.000) 1.729 7.657 ( -14.747 0.000 0.000) 14.747 7.947 ( -2.928 0.000 0.000) 2.928 8.069 ( -14.820 0.000 0.000) 14.820 8.120 ( -1.132 0.000 0.000) 1.132 8.369 ( 34.262 0.000 0.000) 34.262 8.639 ( -30.214 0.000 0.000) 30.214 9.114 ( 16.266 0.000 0.000) 16.266 9.388 ( -38.321 0.000 0.000) 38.321 9.397 ( -17.258 0.000 0.000) 17.258 9.502 ( 3.693 0.000 0.000) 3.693 10.254 ( 22.020 0.000 0.000) 22.020 10.370 ( -12.927 0.000 0.000) 12.927 10.665 ( 20.793 0.000 0.000) 20.793 10.936 ( -21.047 0.000 0.000) 21.047 11.230 ( -27.036 0.000 0.000) 27.036 11.357 ( -8.228 0.000 0.000) 8.228 11.564 ( -3.658 0.000 0.000) 3.658 11.703 ( 13.156 0.000 0.000) 13.156 11.863 ( 0.886 0.000 0.000) 0.886 12.082 ( -6.502 0.000 0.000) 6.502 12.442 ( 24.941 0.000 0.000) 24.941 12.854 ( -6.685 0.000 0.000) 6.685 12.979 ( -7.060 0.000 0.000) 7.060 13.037 ( -11.756 0.000 0.000) 11.756 13.391 ( 4.507 0.000 0.000) 4.507 13.428 ( -3.117 0.000 0.000) 3.117 14.013 ( 29.615 0.000 0.000) 29.615 14.066 ( 5.356 0.000 0.000) 5.356 14.071 ( 7.065 0.000 0.000) 7.065 14.314 ( 1.517 0.000 0.000) 1.517 14.450 ( 4.675 0.000 0.000) 4.675 14.729 ( -1.297 0.000 0.000) 1.297 15.439 ( -1.180 0.000 0.000) 1.180 16.036 ( -21.230 0.000 0.000) 21.230 16.237 ( 7.175 0.000 0.000) 7.175 16.286 ( -16.317 0.000 0.000) 16.317 16.347 ( -19.412 0.000 0.000) 19.412 16.499 ( -3.403 0.000 0.000) 3.403 16.786 ( -9.439 0.000 0.000) 9.439 17.091 ( 18.636 0.000 0.000) 18.636 17.156 ( 18.707 0.000 0.000) 18.707 17.377 ( -10.910 0.000 0.000) 10.910 17.816 ( 6.656 0.000 0.000) 6.656 17.994 ( 12.808 0.000 0.000) 12.808 18.002 ( 3.722 0.000 0.000) 3.722 18.300 ( 4.836 0.000 0.000) 4.836 18.692 ( -7.264 0.000 0.000) 7.264 19.041 ( -10.471 0.000 0.000) 10.471 19.061 ( -5.423 0.000 0.000) 5.423 19.097 ( -6.714 0.000 0.000) 6.714 19.216 ( 8.877 0.000 0.000) 8.877 19.380 ( 4.640 0.000 0.000) 4.640 19.645 ( -11.042 0.000 0.000) 11.042 20.004 ( -5.300 0.000 0.000) 5.300 20.022 ( 13.293 0.000 0.000) 13.293 20.409 ( 19.969 0.000 0.000) 19.969 20.543 ( -3.721 0.000 0.000) 3.721 20.609 ( -1.781 0.000 0.000) 1.781 20.984 ( 19.806 0.000 0.000) 19.806 20.987 ( 3.419 0.000 0.000) 3.419 21.669 ( 9.135 0.000 0.000) 9.135 21.721 ( 4.703 0.000 0.000) 4.703 22.161 ( -3.814 0.000 0.000) 3.814 22.189 ( 8.697 0.000 0.000) 8.697 22.510 ( -8.555 0.000 0.000) 8.555 22.559 ( -4.996 0.000 0.000) 4.996 22.764 ( 0.318 0.000 0.000) 0.318 22.862 ( -10.601 0.000 0.000) 10.601 22.891 ( -3.299 0.000 0.000) 3.299 23.089 ( 2.149 0.000 0.000) 2.149 23.138 ( -5.412 0.000 0.000) 5.412 23.293 ( 1.920 0.000 0.000) 1.920 23.371 ( 2.474 0.000 0.000) 2.474 24.067 ( -20.447 0.000 0.000) 20.447 25.487 ( 6.948 0.000 0.000) 6.948 25.943 ( -1.067 0.000 0.000) 1.067 26.039 ( -4.116 0.000 0.000) 4.116 26.183 ( -1.921 0.000 0.000) 1.921 26.520 ( 6.797 0.000 0.000) 6.797 26.571 ( -5.865 0.000 0.000) 5.865 27.015 ( -13.627 0.000 0.000) 13.627 27.065 ( -2.460 0.000 0.000) 2.460 27.368 ( 9.177 0.000 0.000) 9.177 27.567 ( 7.896 0.000 0.000) 7.896 28.016 ( -1.625 0.000 0.000) 1.625 28.052 ( -1.794 0.000 0.000) 1.794 28.054 ( -6.576 0.000 0.000) 6.576 28.342 ( -11.980 0.000 0.000) 11.980 28.521 ( 2.706 0.000 0.000) 2.706 28.754 ( -3.248 0.000 0.000) 3.248 29.210 ( 13.435 0.000 0.000) 13.435 29.388 ( -3.915 0.000 0.000) 3.915 29.542 ( -3.116 0.000 0.000) 3.116 29.652 ( 7.105 0.000 0.000) 7.105 29.801 ( -1.442 0.000 0.000) 1.442 29.848 ( 4.827 0.000 0.000) 4.827 30.079 ( -2.780 0.000 0.000) 2.780 30.507 ( -6.971 0.000 0.000) 6.971 30.621 ( 21.947 0.000 0.000) 21.947 30.636 ( 1.590 0.000 0.000) 1.590 31.210 ( -12.778 0.000 0.000) 12.778 31.870 ( -3.866 0.000 0.000) 3.866 31.973 ( 20.478 0.000 0.000) 20.478 32.421 ( 5.977 0.000 0.000) 5.977 32.867 ( 11.002 0.000 0.000) 11.002 32.885 ( 1.925 0.000 0.000) 1.925 33.085 ( -5.826 0.000 0.000) 5.826 33.755 ( -2.724 0.000 0.000) 2.724 33.873 ( 12.922 0.000 0.000) 12.922 34.226 ( -14.379 0.000 0.000) 14.379 34.728 ( -21.752 0.000 0.000) 21.752 35.041 ( -0.102 0.000 0.000) 0.102 35.602 ( 5.700 0.000 0.000) 5.700 35.981 ( -1.605 0.000 0.000) 1.605 36.091 ( 2.566 0.000 0.000) 2.566 36.221 ( -2.805 0.000 0.000) 2.805 36.504 ( 25.613 0.000 0.000) 25.613 39.428 ( -24.885 0.000 0.000) 24.885 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 40.313 0.000 0.000) 40.313 1.870 ( 44.448 0.000 0.000) 44.448 2.555 ( 10.183 0.000 0.000) 10.183 2.758 ( -0.141 0.000 0.000) 0.141 2.814 ( 0.448 0.000 0.000) 0.448 2.815 ( -4.912 0.000 0.000) 4.912 2.843 ( 30.828 0.000 0.000) 30.828 3.078 ( 4.464 0.000 0.000) 4.464 3.287 ( 6.888 0.000 0.000) 6.888 3.291 ( -8.127 0.000 0.000) 8.127 3.672 ( -12.139 0.000 0.000) 12.139 3.692 ( -6.401 0.000 0.000) 6.401 4.227 ( 2.775 0.000 0.000) 2.775 4.452 ( 3.393 0.000 0.000) 3.393 4.621 ( -14.943 0.000 0.000) 14.943 5.115 ( -33.290 0.000 0.000) 33.290 5.207 ( 18.510 0.000 0.000) 18.510 5.343 ( 10.274 0.000 0.000) 10.274 5.797 ( 17.743 0.000 0.000) 17.743 5.859 ( 32.935 0.000 0.000) 32.935 6.402 ( 52.499 0.000 0.000) 52.499 6.599 ( 14.101 0.000 0.000) 14.101 6.922 ( 5.773 0.000 0.000) 5.773 6.962 ( -2.950 0.000 0.000) 2.950 7.068 ( 1.354 0.000 0.000) 1.354 7.351 ( -13.468 0.000 0.000) 13.468 7.375 ( -12.231 0.000 0.000) 12.231 7.778 ( -18.702 0.000 0.000) 18.702 7.936 ( 2.882 0.000 0.000) 2.882 7.980 ( -40.453 0.000 0.000) 40.453 8.009 ( -14.237 0.000 0.000) 14.237 8.642 ( -39.364 0.000 0.000) 39.364 9.002 ( 24.657 0.000 0.000) 24.657 9.200 ( 4.407 0.000 0.000) 4.407 9.287 ( -20.344 0.000 0.000) 20.344 9.454 ( 20.688 0.000 0.000) 20.688 10.265 ( -0.964 0.000 0.000) 0.964 10.470 ( -24.547 0.000 0.000) 24.547 10.522 ( 5.520 0.000 0.000) 5.520 10.533 ( -35.877 0.000 0.000) 35.877 11.065 ( 13.959 0.000 0.000) 13.959 11.390 ( 9.594 0.000 0.000) 9.594 11.464 ( -7.130 0.000 0.000) 7.130 11.864 ( -9.008 0.000 0.000) 9.008 12.005 ( 7.960 0.000 0.000) 7.960 12.022 ( 20.122 0.000 0.000) 20.122 12.580 ( -12.680 0.000 0.000) 12.680 12.766 ( -17.391 0.000 0.000) 17.391 12.932 ( 17.346 0.000 0.000) 17.346 12.995 ( 7.429 0.000 0.000) 7.429 13.352 ( -5.427 0.000 0.000) 5.427 13.379 ( -6.439 0.000 0.000) 6.439 14.210 ( 6.934 0.000 0.000) 6.934 14.277 ( 17.393 0.000 0.000) 17.393 14.329 ( -0.014 0.000 0.000) 0.014 14.511 ( 21.087 0.000 0.000) 21.087 14.549 ( 5.249 0.000 0.000) 5.249 14.692 ( -2.633 0.000 0.000) 2.633 15.413 ( -2.108 0.000 0.000) 2.108 15.576 ( -24.043 0.000 0.000) 24.043 16.002 ( -12.783 0.000 0.000) 12.783 16.050 ( -12.995 0.000 0.000) 12.995 16.394 ( 6.542 0.000 0.000) 6.542 16.429 ( -3.245 0.000 0.000) 3.245 16.646 ( -1.342 0.000 0.000) 1.342 17.129 ( -15.636 0.000 0.000) 15.636 17.415 ( 14.635 0.000 0.000) 14.635 17.443 ( 11.917 0.000 0.000) 11.917 17.933 ( 5.159 0.000 0.000) 5.159 18.017 ( -0.721 0.000 0.000) 0.721 18.256 ( 13.890 0.000 0.000) 13.890 18.475 ( 12.426 0.000 0.000) 12.426 18.552 ( -6.521 0.000 0.000) 6.521 18.848 ( -9.640 0.000 0.000) 9.640 18.899 ( -12.752 0.000 0.000) 12.752 18.918 ( -9.761 0.000 0.000) 9.761 19.426 ( 12.957 0.000 0.000) 12.957 19.457 ( 3.411 0.000 0.000) 3.411 19.533 ( -2.411 0.000 0.000) 2.411 19.866 ( -9.387 0.000 0.000) 9.387 20.289 ( 14.193 0.000 0.000) 14.193 20.518 ( 0.414 0.000 0.000) 0.414 20.575 ( -1.844 0.000 0.000) 1.844 20.615 ( 0.438 0.000 0.000) 0.438 21.232 ( 23.922 0.000 0.000) 23.922 21.415 ( 26.116 0.000 0.000) 26.116 21.831 ( 6.782 0.000 0.000) 6.782 21.867 ( 10.597 0.000 0.000) 10.597 22.064 ( -6.860 0.000 0.000) 6.860 22.233 ( -20.598 0.000 0.000) 20.598 22.401 ( 4.042 0.000 0.000) 4.042 22.450 ( 3.412 0.000 0.000) 3.412 22.559 ( -20.863 0.000 0.000) 20.863 22.777 ( 1.130 0.000 0.000) 1.130 22.839 ( -2.136 0.000 0.000) 2.136 23.005 ( -9.586 0.000 0.000) 9.586 23.151 ( 4.822 0.000 0.000) 4.822 23.340 ( 2.978 0.000 0.000) 2.978 23.408 ( 0.775 0.000 0.000) 0.775 23.626 ( -23.794 0.000 0.000) 23.794 25.667 ( 11.954 0.000 0.000) 11.954 25.921 ( -0.926 0.000 0.000) 0.926 25.964 ( -3.474 0.000 0.000) 3.474 26.097 ( -8.020 0.000 0.000) 8.020 26.500 ( -0.383 0.000 0.000) 0.383 26.671 ( 9.056 0.000 0.000) 9.056 26.758 ( -12.996 0.000 0.000) 12.996 26.984 ( -6.327 0.000 0.000) 6.327 27.560 ( 10.681 0.000 0.000) 10.681 27.698 ( 5.573 0.000 0.000) 5.573 27.954 ( -3.261 0.000 0.000) 3.261 27.976 ( -2.482 0.000 0.000) 2.482 28.007 ( -2.800 0.000 0.000) 2.800 28.113 ( -11.381 0.000 0.000) 11.381 28.583 ( 3.678 0.000 0.000) 3.678 28.699 ( -2.698 0.000 0.000) 2.698 29.330 ( -1.681 0.000 0.000) 1.681 29.433 ( -6.444 0.000 0.000) 6.444 29.511 ( 17.270 0.000 0.000) 17.270 29.778 ( -0.909 0.000 0.000) 0.909 29.812 ( 7.788 0.000 0.000) 7.788 29.921 ( 2.205 0.000 0.000) 2.205 30.020 ( -2.368 0.000 0.000) 2.368 30.319 ( -12.947 0.000 0.000) 12.947 30.694 ( 4.935 0.000 0.000) 4.935 30.995 ( -10.521 0.000 0.000) 10.521 31.081 ( 25.078 0.000 0.000) 25.078 31.745 ( -10.039 0.000 0.000) 10.039 32.353 ( 19.626 0.000 0.000) 19.626 32.577 ( 10.319 0.000 0.000) 10.319 32.892 ( -2.593 0.000 0.000) 2.593 32.928 ( -11.053 0.000 0.000) 11.053 33.142 ( 18.028 0.000 0.000) 18.028 33.749 ( 4.083 0.000 0.000) 4.083 33.897 ( -20.169 0.000 0.000) 20.169 34.206 ( 21.918 0.000 0.000) 21.918 34.305 ( -22.423 0.000 0.000) 22.423 34.942 ( -11.597 0.000 0.000) 11.597 35.739 ( 8.595 0.000 0.000) 8.595 35.979 ( 2.018 0.000 0.000) 2.018 36.040 ( -6.002 0.000 0.000) 6.002 36.148 ( -4.887 0.000 0.000) 4.887 37.160 ( 41.795 0.000 0.000) 41.795 38.802 ( -41.002 0.000 0.000) 41.002 ======================= Grid point 3 (4/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -25.122 0.000 0.000) 25.122 2.381 ( 25.122 0.000 0.000) 25.122 2.542 ( -26.154 0.000 0.000) 26.154 2.542 ( 26.154 0.000 0.000) 26.154 2.735 ( -1.712 0.000 0.000) 1.712 2.735 ( 1.712 0.000 0.000) 1.712 3.159 ( -6.066 0.000 0.000) 6.066 3.159 ( 6.066 0.000 0.000) 6.066 3.454 ( -10.908 0.000 0.000) 10.908 3.454 ( 10.908 0.000 0.000) 10.908 3.461 ( -20.837 0.000 0.000) 20.837 3.461 ( 20.837 0.000 0.000) 20.837 4.356 ( -11.629 0.000 0.000) 11.629 4.356 ( 11.629 0.000 0.000) 11.629 4.628 ( -17.584 0.000 0.000) 17.584 4.628 ( 17.584 0.000 0.000) 17.584 5.429 ( -3.385 0.000 0.000) 3.385 5.429 ( 3.385 0.000 0.000) 3.385 6.115 ( -11.750 0.000 0.000) 11.750 6.115 ( 11.750 0.000 0.000) 11.750 7.022 ( -28.531 0.000 0.000) 28.531 7.022 ( 28.531 0.000 0.000) 28.531 7.037 ( -5.286 0.000 0.000) 5.286 7.037 ( 5.286 0.000 0.000) 5.286 7.137 ( -18.671 0.000 0.000) 18.671 7.137 ( 18.671 0.000 0.000) 18.671 7.400 ( -21.526 0.000 0.000) 21.526 7.400 ( 21.526 0.000 0.000) 21.526 7.437 ( -42.901 0.000 0.000) 42.901 7.437 ( 42.901 0.000 0.000) 42.901 8.123 ( -16.589 0.000 0.000) 16.589 8.123 ( 16.589 0.000 0.000) 16.589 9.060 ( -3.087 0.000 0.000) 3.087 9.060 ( 3.087 0.000 0.000) 3.087 9.771 ( -36.425 0.000 0.000) 36.425 9.771 ( 36.425 0.000 0.000) 36.425 9.908 ( -29.325 0.000 0.000) 29.325 9.908 ( 29.325 0.000 0.000) 29.325 10.481 ( -7.642 0.000 0.000) 7.642 10.481 ( 7.642 0.000 0.000) 7.642 11.300 ( -10.774 0.000 0.000) 10.774 11.300 ( 10.774 0.000 0.000) 10.774 11.625 ( -14.203 0.000 0.000) 14.203 11.625 ( 14.203 0.000 0.000) 14.203 12.278 ( -17.733 0.000 0.000) 17.733 12.278 ( 17.733 0.000 0.000) 17.733 12.408 ( -20.817 0.000 0.000) 20.817 12.408 ( 20.817 0.000 0.000) 20.817 13.191 ( -12.120 0.000 0.000) 12.120 13.191 ( 12.120 0.000 0.000) 12.120 13.204 ( -11.142 0.000 0.000) 11.142 13.204 ( 11.142 0.000 0.000) 11.142 14.304 ( -3.054 0.000 0.000) 3.054 14.304 ( 3.054 0.000 0.000) 3.054 14.610 ( -12.724 0.000 0.000) 12.724 14.610 ( 12.724 0.000 0.000) 12.724 14.632 ( -3.798 0.000 0.000) 3.798 14.632 ( 3.798 0.000 0.000) 3.798 15.349 ( -1.621 0.000 0.000) 1.621 15.349 ( 1.621 0.000 0.000) 1.621 15.894 ( -2.305 0.000 0.000) 2.305 15.894 ( 2.305 0.000 0.000) 2.305 16.406 ( -0.950 0.000 0.000) 0.950 16.406 ( 0.950 0.000 0.000) 0.950 16.825 ( -16.040 0.000 0.000) 16.040 16.825 ( 16.040 0.000 0.000) 16.040 17.563 ( -0.244 0.000 0.000) 0.244 17.563 ( 0.244 0.000 0.000) 0.244 17.996 ( -1.849 0.000 0.000) 1.849 17.996 ( 1.849 0.000 0.000) 1.849 18.456 ( -6.479 0.000 0.000) 6.479 18.456 ( 6.479 0.000 0.000) 6.479 18.711 ( -12.390 0.000 0.000) 12.390 18.711 ( 12.390 0.000 0.000) 12.390 18.740 ( -1.058 0.000 0.000) 1.058 18.740 ( 1.058 0.000 0.000) 1.058 19.503 ( -1.656 0.000 0.000) 1.656 19.503 ( 1.656 0.000 0.000) 1.656 19.665 ( -12.234 0.000 0.000) 12.234 19.665 ( 12.234 0.000 0.000) 12.234 20.514 ( -9.597 0.000 0.000) 9.597 20.514 ( 9.597 0.000 0.000) 9.597 20.541 ( -1.753 0.000 0.000) 1.753 20.541 ( 1.753 0.000 0.000) 1.753 21.740 ( -27.780 0.000 0.000) 27.780 21.740 ( 27.780 0.000 0.000) 27.780 21.875 ( -17.798 0.000 0.000) 17.798 21.875 ( 17.798 0.000 0.000) 17.798 21.963 ( -7.567 0.000 0.000) 7.567 21.963 ( 7.567 0.000 0.000) 7.567 22.290 ( -0.839 0.000 0.000) 0.839 22.290 ( 0.839 0.000 0.000) 0.839 22.752 ( -17.391 0.000 0.000) 17.391 22.752 ( 17.391 0.000 0.000) 17.391 22.805 ( -1.727 0.000 0.000) 1.727 22.805 ( 1.727 0.000 0.000) 1.727 23.292 ( -11.694 0.000 0.000) 11.694 23.292 ( 11.694 0.000 0.000) 11.694 23.392 ( -2.244 0.000 0.000) 2.244 23.392 ( 2.244 0.000 0.000) 2.244 25.900 ( -12.443 0.000 0.000) 12.443 25.900 ( 12.443 0.000 0.000) 12.443 25.921 ( -1.097 0.000 0.000) 1.097 25.921 ( 1.097 0.000 0.000) 1.097 26.566 ( -7.264 0.000 0.000) 7.264 26.566 ( 7.264 0.000 0.000) 7.264 26.840 ( -8.853 0.000 0.000) 8.853 26.840 ( 8.853 0.000 0.000) 8.853 27.722 ( -4.810 0.000 0.000) 4.810 27.722 ( 4.810 0.000 0.000) 4.810 27.938 ( -1.133 0.000 0.000) 1.133 27.938 ( 1.133 0.000 0.000) 1.133 27.978 ( -1.631 0.000 0.000) 1.631 27.978 ( 1.631 0.000 0.000) 1.631 28.647 ( -3.091 0.000 0.000) 3.091 28.647 ( 3.091 0.000 0.000) 3.091 29.341 ( -2.980 0.000 0.000) 2.980 29.341 ( 2.980 0.000 0.000) 2.980 29.743 ( -5.293 0.000 0.000) 5.293 29.743 ( 5.293 0.000 0.000) 5.293 29.914 ( -3.042 0.000 0.000) 3.042 29.914 ( 3.042 0.000 0.000) 3.042 30.076 ( -10.468 0.000 0.000) 10.468 30.076 ( 10.468 0.000 0.000) 10.468 30.820 ( -8.390 0.000 0.000) 8.390 30.820 ( 8.390 0.000 0.000) 8.390 31.487 ( -18.128 0.000 0.000) 18.128 31.487 ( 18.128 0.000 0.000) 18.128 32.680 ( -15.648 0.000 0.000) 15.648 32.680 ( 15.648 0.000 0.000) 15.648 32.772 ( -9.664 0.000 0.000) 9.664 32.772 ( 9.664 0.000 0.000) 9.664 33.509 ( -21.104 0.000 0.000) 21.104 33.509 ( 21.104 0.000 0.000) 21.104 33.940 ( -16.054 0.000 0.000) 16.054 33.940 ( 16.054 0.000 0.000) 16.054 34.624 ( -21.530 0.000 0.000) 21.530 34.624 ( 21.530 0.000 0.000) 21.530 35.901 ( -8.547 0.000 0.000) 8.547 35.901 ( 8.547 0.000 0.000) 8.547 36.051 ( -5.149 0.000 0.000) 5.149 36.051 ( 5.149 0.000 0.000) 5.149 37.982 ( -45.907 0.000 0.000) 45.907 37.982 ( 45.907 0.000 0.000) 45.907 ======================= Grid point 7 (5/84) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.000 50.993 0.000) 50.993 0.977 ( 0.000 51.836 0.000) 51.836 1.439 ( 0.000 75.716 0.000) 75.716 2.512 ( 0.000 -0.538 0.000) 0.538 2.700 ( 0.000 -4.403 0.000) 4.403 2.804 ( 0.000 1.117 0.000) 1.117 2.988 ( 0.000 -1.621 0.000) 1.621 3.010 ( 0.000 -1.622 0.000) 1.622 3.079 ( 0.000 -9.321 0.000) 9.321 3.535 ( 0.000 1.836 0.000) 1.836 3.749 ( 0.000 -2.927 0.000) 2.927 3.900 ( 0.000 -11.244 0.000) 11.244 4.160 ( 0.000 -4.420 0.000) 4.420 4.228 ( 0.000 1.377 0.000) 1.377 4.545 ( 0.000 -23.489 0.000) 23.489 4.709 ( 0.000 -22.328 0.000) 22.328 4.737 ( 0.000 3.357 0.000) 3.357 5.152 ( 0.000 -3.429 0.000) 3.429 5.632 ( 0.000 9.344 0.000) 9.344 5.667 ( 0.000 17.962 0.000) 17.962 6.445 ( 0.000 11.583 0.000) 11.583 6.459 ( 0.000 28.839 0.000) 28.839 6.466 ( 0.000 -11.906 0.000) 11.906 7.140 ( 0.000 9.664 0.000) 9.664 7.292 ( 0.000 -18.272 0.000) 18.272 7.457 ( 0.000 -17.267 0.000) 17.267 7.549 ( 0.000 -21.756 0.000) 21.756 7.619 ( 0.000 -9.661 0.000) 9.661 7.816 ( 0.000 -3.080 0.000) 3.080 8.279 ( 0.000 -6.724 0.000) 6.724 8.446 ( 0.000 13.016 0.000) 13.016 8.893 ( 0.000 -3.409 0.000) 3.409 9.160 ( 0.000 15.998 0.000) 15.998 9.345 ( 0.000 0.130 0.000) 0.130 9.819 ( 0.000 7.279 0.000) 7.279 9.828 ( 0.000 -2.728 0.000) 2.728 9.933 ( 0.000 10.835 0.000) 10.835 10.330 ( 0.000 -0.407 0.000) 0.407 10.665 ( 0.000 14.650 0.000) 14.650 11.134 ( 0.000 -2.505 0.000) 2.505 11.329 ( 0.000 -21.389 0.000) 21.389 11.526 ( 0.000 0.383 0.000) 0.383 11.577 ( 0.000 7.316 0.000) 7.316 11.655 ( 0.000 -18.607 0.000) 18.607 11.681 ( 0.000 7.052 0.000) 7.052 12.043 ( 0.000 -2.526 0.000) 2.526 12.547 ( 0.000 31.054 0.000) 31.054 12.736 ( 0.000 -18.847 0.000) 18.847 12.764 ( 0.000 -33.828 0.000) 33.828 13.195 ( 0.000 2.236 0.000) 2.236 13.327 ( 0.000 -3.448 0.000) 3.448 13.687 ( 0.000 7.475 0.000) 7.475 13.711 ( 0.000 32.984 0.000) 32.984 14.004 ( 0.000 0.917 0.000) 0.917 14.016 ( 0.000 -1.977 0.000) 1.977 14.239 ( 0.000 -7.635 0.000) 7.635 14.450 ( 0.000 -18.431 0.000) 18.431 14.786 ( 0.000 34.414 0.000) 34.414 15.586 ( 0.000 13.219 0.000) 13.219 15.972 ( 0.000 -21.573 0.000) 21.573 16.333 ( 0.000 9.508 0.000) 9.508 16.377 ( 0.000 -15.102 0.000) 15.102 16.602 ( 0.000 -17.930 0.000) 17.930 16.697 ( 0.000 17.747 0.000) 17.747 16.791 ( 0.000 3.745 0.000) 3.745 16.799 ( 0.000 0.654 0.000) 0.654 17.018 ( 0.000 5.984 0.000) 5.984 17.360 ( 0.000 -13.605 0.000) 13.605 17.565 ( 0.000 2.384 0.000) 2.384 17.803 ( 0.000 -2.481 0.000) 2.481 17.911 ( 0.000 -2.115 0.000) 2.115 18.422 ( 0.000 12.299 0.000) 12.299 18.597 ( 0.000 -26.077 0.000) 26.077 19.058 ( 0.000 -7.492 0.000) 7.492 19.198 ( 0.000 4.482 0.000) 4.482 19.239 ( 0.000 9.156 0.000) 9.156 19.312 ( 0.000 -0.510 0.000) 0.510 19.806 ( 0.000 -5.703 0.000) 5.703 19.888 ( 0.000 7.988 0.000) 7.988 19.898 ( 0.000 2.242 0.000) 2.242 20.066 ( 0.000 1.274 0.000) 1.274 20.176 ( 0.000 7.666 0.000) 7.666 20.343 ( 0.000 -3.730 0.000) 3.730 20.601 ( 0.000 -3.538 0.000) 3.538 20.710 ( 0.000 -1.883 0.000) 1.883 20.921 ( 0.000 -6.384 0.000) 6.384 21.665 ( 0.000 8.992 0.000) 8.992 21.744 ( 0.000 7.196 0.000) 7.196 22.145 ( 0.000 2.136 0.000) 2.136 22.160 ( 0.000 -4.259 0.000) 4.259 22.584 ( 0.000 0.222 0.000) 0.222 22.714 ( 0.000 -0.281 0.000) 0.281 22.723 ( 0.000 -0.470 0.000) 0.470 22.821 ( 0.000 5.398 0.000) 5.398 23.038 ( 0.000 -3.516 0.000) 3.516 23.122 ( 0.000 1.606 0.000) 1.606 23.136 ( 0.000 0.255 0.000) 0.255 23.204 ( 0.000 1.301 0.000) 1.301 23.211 ( 0.000 -6.726 0.000) 6.726 23.335 ( 0.000 -1.067 0.000) 1.067 25.835 ( 0.000 -0.988 0.000) 0.988 25.851 ( 0.000 -4.090 0.000) 4.090 26.051 ( 0.000 -3.002 0.000) 3.002 26.190 ( 0.000 15.004 0.000) 15.004 26.215 ( 0.000 -13.293 0.000) 13.293 26.357 ( 0.000 16.617 0.000) 16.617 26.923 ( 0.000 16.725 0.000) 16.725 27.232 ( 0.000 4.929 0.000) 4.929 27.283 ( 0.000 -17.252 0.000) 17.252 27.342 ( 0.000 7.306 0.000) 7.306 27.635 ( 0.000 -5.294 0.000) 5.294 27.900 ( 0.000 -10.351 0.000) 10.351 28.146 ( 0.000 5.047 0.000) 5.047 28.224 ( 0.000 8.123 0.000) 8.123 28.481 ( 0.000 -1.599 0.000) 1.599 28.580 ( 0.000 -3.115 0.000) 3.115 29.112 ( 0.000 4.164 0.000) 4.164 29.263 ( 0.000 -14.069 0.000) 14.069 29.458 ( 0.000 -4.930 0.000) 4.930 29.713 ( 0.000 -12.536 0.000) 12.536 29.857 ( 0.000 2.495 0.000) 2.495 30.071 ( 0.000 -21.027 0.000) 21.027 30.107 ( 0.000 0.508 0.000) 0.508 30.140 ( 0.000 -0.212 0.000) 0.212 31.148 ( 0.000 27.998 0.000) 27.998 31.391 ( 0.000 0.040 0.000) 0.040 31.404 ( 0.000 -0.349 0.000) 0.349 31.814 ( 0.000 11.494 0.000) 11.494 31.981 ( 0.000 4.460 0.000) 4.460 32.370 ( 0.000 2.963 0.000) 2.963 32.713 ( 0.000 -13.471 0.000) 13.471 32.793 ( 0.000 3.365 0.000) 3.365 33.002 ( 0.000 -0.274 0.000) 0.274 33.067 ( 0.000 -7.985 0.000) 7.985 33.763 ( 0.000 1.078 0.000) 1.078 33.795 ( 0.000 0.548 0.000) 0.548 34.404 ( 0.000 3.498 0.000) 3.498 34.851 ( 0.000 -9.194 0.000) 9.194 35.174 ( 0.000 11.885 0.000) 11.885 35.900 ( 0.000 -7.690 0.000) 7.690 36.058 ( 0.000 5.364 0.000) 5.364 36.300 ( 0.000 -1.466 0.000) 1.466 39.470 ( 0.000 1.587 0.000) 1.587 39.589 ( 0.000 -1.424 0.000) 1.424 ======================= Grid point 8 (6/84) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 31.262 32.097 0.000) 44.806 1.314 ( 32.631 34.852 0.000) 47.744 2.097 ( 53.339 47.589 0.000) 71.483 2.553 ( 4.621 -0.447 0.000) 4.642 2.716 ( 1.622 -3.835 0.000) 4.164 2.822 ( 1.233 0.526 0.000) 1.341 2.969 ( -4.449 -0.683 0.000) 4.502 2.994 ( 0.485 -3.040 0.000) 3.078 3.105 ( 2.310 -9.259 0.000) 9.543 3.470 ( -6.054 2.525 0.000) 6.560 3.722 ( -2.885 -4.194 0.000) 5.091 3.797 ( -8.641 -9.413 0.000) 12.778 4.233 ( 0.783 2.499 0.000) 2.619 4.466 ( 18.142 -1.404 0.000) 18.196 4.611 ( 6.197 -14.000 0.000) 15.310 4.821 ( 11.553 -21.994 0.000) 24.844 4.908 ( 11.520 2.278 0.000) 11.743 5.387 ( 26.602 -13.853 0.000) 29.992 5.549 ( 3.855 20.368 0.000) 20.729 5.604 ( -7.016 3.824 0.000) 7.990 6.012 ( -20.159 15.208 0.000) 25.252 6.461 ( 3.747 8.042 0.000) 8.872 6.801 ( 13.093 6.185 0.000) 14.480 7.092 ( -14.105 -10.858 0.000) 17.800 7.138 ( -0.152 9.015 0.000) 9.016 7.326 ( -12.563 -23.889 0.000) 26.991 7.557 ( -0.349 -20.843 0.000) 20.846 7.621 ( 1.021 2.043 0.000) 2.284 7.934 ( 0.542 -8.867 0.000) 8.883 8.252 ( -4.467 -7.078 0.000) 8.370 8.556 ( 19.034 14.010 0.000) 23.634 8.762 ( -28.242 13.581 0.000) 31.338 9.083 ( 15.326 -3.652 0.000) 15.755 9.343 ( -28.596 -5.184 0.000) 29.062 9.549 ( -13.934 15.619 0.000) 20.931 9.605 ( -1.342 12.512 0.000) 12.583 10.240 ( 16.961 -1.301 0.000) 17.011 10.356 ( -11.569 -2.561 0.000) 11.849 10.716 ( 7.289 3.867 0.000) 8.251 10.935 ( -18.205 0.169 0.000) 18.205 11.211 ( -19.775 2.200 0.000) 19.897 11.303 ( -1.781 -18.494 0.000) 18.580 11.465 ( -11.668 9.775 0.000) 15.222 11.656 ( 0.454 -18.815 0.000) 18.821 11.745 ( 11.584 3.811 0.000) 12.195 12.403 ( 24.058 -3.860 0.000) 24.366 12.432 ( -10.492 27.948 0.000) 29.853 12.591 ( -9.357 -22.867 0.000) 24.708 12.839 ( 6.943 -18.219 0.000) 19.497 13.079 ( -11.295 2.388 0.000) 11.545 13.355 ( 0.412 -1.865 0.000) 1.910 13.721 ( -1.776 25.492 0.000) 25.554 13.862 ( 13.795 -2.108 0.000) 13.955 14.058 ( 4.784 -0.168 0.000) 4.787 14.100 ( 10.640 2.792 0.000) 11.000 14.297 ( 5.190 -7.268 0.000) 8.931 14.477 ( 0.998 -18.731 0.000) 18.758 14.848 ( 6.362 33.581 0.000) 34.179 15.556 ( -2.350 10.345 0.000) 10.608 16.036 ( 5.141 -20.382 0.000) 21.020 16.135 ( -16.833 5.716 0.000) 17.777 16.286 ( -15.073 -3.585 0.000) 15.494 16.358 ( -12.242 -1.659 0.000) 12.354 16.532 ( -5.761 4.703 0.000) 7.437 16.753 ( -5.449 5.866 0.000) 8.006 17.087 ( 9.350 -7.643 0.000) 12.077 17.145 ( 14.826 3.783 0.000) 15.301 17.289 ( -4.596 -10.592 0.000) 11.546 17.731 ( 11.062 -2.813 0.000) 11.414 17.860 ( 6.371 -3.755 0.000) 7.396 18.034 ( 10.345 -1.941 0.000) 10.526 18.453 ( 4.150 12.686 0.000) 13.348 18.532 ( -4.761 -17.774 0.000) 18.401 19.081 ( -9.454 4.660 0.000) 10.540 19.116 ( 4.788 -6.941 0.000) 8.432 19.205 ( -3.810 7.722 0.000) 8.610 19.347 ( 1.041 -2.442 0.000) 2.654 19.423 ( -19.065 21.193 0.000) 28.507 19.643 ( -9.004 -0.973 0.000) 9.057 19.962 ( -5.101 -1.043 0.000) 5.206 20.151 ( 11.127 8.458 0.000) 13.977 20.439 ( 17.038 3.344 0.000) 17.363 20.482 ( 4.847 -9.696 0.000) 10.840 20.557 ( 1.281 2.039 0.000) 2.408 20.863 ( 8.659 -8.132 0.000) 11.879 20.981 ( 11.666 -5.203 0.000) 12.774 21.714 ( 6.406 5.738 0.000) 8.600 21.785 ( 4.101 6.683 0.000) 7.840 22.133 ( -2.914 -3.315 0.000) 4.413 22.221 ( 7.765 0.750 0.000) 7.801 22.535 ( -10.418 2.308 0.000) 10.671 22.552 ( -3.063 2.357 0.000) 3.865 22.758 ( -8.757 -6.523 0.000) 10.920 22.821 ( 0.203 5.402 0.000) 5.406 22.977 ( -5.240 4.989 0.000) 7.235 23.056 ( 1.932 -3.654 0.000) 4.134 23.143 ( -4.731 0.294 0.000) 4.740 23.230 ( 2.080 -6.697 0.000) 7.013 23.367 ( 2.671 -0.481 0.000) 2.714 23.665 ( 10.153 -25.154 0.000) 27.125 25.615 ( -1.237 8.936 0.000) 9.021 26.008 ( -3.682 -2.239 0.000) 4.309 26.072 ( 1.613 11.599 0.000) 11.711 26.237 ( 1.042 -5.280 0.000) 5.382 26.387 ( 3.458 8.533 0.000) 9.207 26.545 ( 21.492 -33.905 0.000) 40.143 26.820 ( -8.401 13.493 0.000) 15.895 27.003 ( -13.973 -3.302 0.000) 14.358 27.455 ( 9.611 7.839 0.000) 12.402 27.474 ( 9.958 -6.886 0.000) 12.107 27.839 ( 16.767 -21.669 0.000) 27.398 27.902 ( 0.212 -9.392 0.000) 9.394 28.118 ( -2.879 4.845 0.000) 5.636 28.137 ( -7.231 7.291 0.000) 10.269 28.503 ( 2.168 -2.247 0.000) 3.123 28.508 ( -4.604 -5.681 0.000) 7.312 29.126 ( 0.108 4.158 0.000) 4.159 29.216 ( -4.244 -13.695 0.000) 14.337 29.563 ( 9.128 -6.987 0.000) 11.496 29.752 ( 2.705 -14.611 0.000) 14.859 29.850 ( 0.355 2.922 0.000) 2.943 29.921 ( -11.958 6.432 0.000) 13.578 30.062 ( -1.266 -18.070 0.000) 18.114 30.083 ( -5.661 -1.320 0.000) 5.813 31.135 ( -1.255 28.621 0.000) 28.648 31.151 ( -3.338 28.378 0.000) 28.573 31.315 ( -5.740 10.218 0.000) 11.720 31.938 ( -4.676 4.617 0.000) 6.571 31.983 ( 15.931 2.038 0.000) 16.061 32.410 ( 4.242 0.539 0.000) 4.276 32.746 ( 0.962 -13.469 0.000) 13.503 32.918 ( 11.388 3.583 0.000) 11.938 33.012 ( -5.897 -8.052 0.000) 9.981 33.479 ( 13.444 -23.808 0.000) 27.342 33.907 ( 15.160 3.260 0.000) 15.506 34.254 ( -14.488 3.218 0.000) 14.842 34.280 ( 49.988 -25.712 0.000) 56.213 34.643 ( -19.226 -7.601 0.000) 20.674 35.187 ( 0.059 13.880 0.000) 13.880 35.941 ( -1.998 -5.572 0.000) 5.919 36.127 ( 5.296 4.458 0.000) 6.922 36.464 ( 22.773 -4.189 0.000) 23.155 38.229 ( -78.003 71.241 0.000) 105.640 39.380 ( -26.228 -5.086 0.000) 26.717 ======================= Grid point 9 (7/84) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 36.093 9.953 0.000) 37.441 1.953 ( 33.327 18.827 0.000) 38.277 2.625 ( 4.583 3.821 0.000) 5.967 2.747 ( 0.713 -1.425 0.000) 1.593 2.801 ( -5.002 -1.357 0.000) 5.183 2.820 ( -7.702 0.566 0.000) 7.723 2.956 ( 11.385 0.167 0.000) 11.386 3.082 ( 24.864 11.711 0.000) 27.484 3.119 ( -2.722 -10.996 0.000) 11.328 3.383 ( -0.827 3.703 0.000) 3.794 3.633 ( -8.494 -3.729 0.000) 9.276 3.650 ( -4.543 -4.756 0.000) 6.577 4.271 ( 3.772 5.637 0.000) 6.782 4.516 ( -5.037 4.717 0.000) 6.900 4.748 ( 2.115 13.419 0.000) 13.584 5.087 ( 12.869 -17.467 0.000) 21.696 5.168 ( 16.162 -3.775 0.000) 16.597 5.253 ( -21.784 9.715 0.000) 23.852 5.869 ( 27.381 3.559 0.000) 27.611 5.892 ( 2.046 3.046 0.000) 3.670 6.047 ( 32.789 -25.653 0.000) 41.632 6.687 ( 23.188 2.038 0.000) 23.277 6.960 ( 4.147 2.398 0.000) 4.791 6.966 ( 7.919 -2.161 0.000) 8.208 7.118 ( -7.461 -20.324 0.000) 21.650 7.146 ( 1.535 8.780 0.000) 8.914 7.455 ( -12.966 -17.159 0.000) 21.507 7.545 ( -10.012 14.345 0.000) 17.494 7.945 ( -33.192 -4.063 0.000) 33.440 7.963 ( 7.908 0.338 0.000) 7.915 8.271 ( -25.006 13.935 0.000) 28.627 8.684 ( -35.509 1.915 0.000) 35.560 9.069 ( 30.957 4.268 0.000) 31.250 9.228 ( -3.175 3.882 0.000) 5.015 9.380 ( -20.149 11.080 0.000) 22.994 9.524 ( 16.519 8.974 0.000) 18.799 10.174 ( -9.054 -9.125 0.000) 12.854 10.441 ( 3.684 -8.951 0.000) 9.680 10.454 ( -24.996 -1.393 0.000) 25.034 10.522 ( -26.364 -2.038 0.000) 26.443 11.153 ( 7.015 9.479 0.000) 11.793 11.278 ( -1.233 -12.392 0.000) 12.453 11.430 ( 9.581 4.433 0.000) 10.557 11.706 ( 5.189 -19.416 0.000) 20.098 12.028 ( 16.872 0.043 0.000) 16.872 12.195 ( -13.737 20.653 0.000) 24.805 12.386 ( -10.919 -17.856 0.000) 20.929 12.796 ( 18.058 -5.509 0.000) 18.879 12.809 ( -17.390 1.974 0.000) 17.502 13.081 ( 17.357 -2.740 0.000) 17.572 13.306 ( -6.424 0.543 0.000) 6.447 13.608 ( -9.693 14.685 0.000) 17.596 14.068 ( 7.744 -10.628 0.000) 13.150 14.148 ( 3.505 -4.798 0.000) 5.941 14.370 ( 12.934 -6.025 0.000) 14.269 14.388 ( 3.770 -8.272 0.000) 9.090 14.507 ( 7.005 2.109 0.000) 7.316 14.966 ( 3.024 26.075 0.000) 26.249 15.535 ( 0.587 8.894 0.000) 8.913 15.773 ( -18.450 17.525 0.000) 25.447 15.998 ( -8.560 -7.902 0.000) 11.649 16.017 ( -11.750 -3.946 0.000) 12.395 16.347 ( 9.950 -3.374 0.000) 10.507 16.465 ( -2.486 6.054 0.000) 6.545 16.626 ( -5.762 3.923 0.000) 6.970 16.988 ( -14.205 -13.771 0.000) 19.785 17.367 ( 7.845 -10.656 0.000) 13.232 17.399 ( 9.855 -3.594 0.000) 10.490 17.907 ( 8.205 0.044 0.000) 8.206 17.981 ( 5.240 0.070 0.000) 5.241 18.238 ( 10.849 -2.928 0.000) 11.237 18.457 ( -3.219 -9.518 0.000) 10.048 18.591 ( 10.202 10.658 0.000) 14.754 18.909 ( -8.563 5.866 0.000) 10.379 19.011 ( -10.825 11.386 0.000) 15.711 19.107 ( -14.050 16.616 0.000) 21.760 19.285 ( 8.077 -11.697 0.000) 14.215 19.392 ( 1.137 -7.446 0.000) 7.532 19.572 ( 0.659 0.402 0.000) 0.772 19.820 ( -9.181 -4.210 0.000) 10.100 20.381 ( 12.203 7.548 0.000) 14.349 20.524 ( 1.086 1.574 0.000) 1.913 20.536 ( 1.615 -2.793 0.000) 3.227 20.666 ( -0.509 4.555 0.000) 4.583 21.159 ( 26.357 -6.757 0.000) 27.209 21.352 ( 25.043 -6.744 0.000) 25.936 21.855 ( 6.274 -0.195 0.000) 6.277 21.878 ( 5.530 5.121 0.000) 7.537 22.062 ( -4.588 -0.840 0.000) 4.664 22.238 ( -21.168 0.525 0.000) 21.175 22.336 ( -0.930 -6.855 0.000) 6.917 22.475 ( -19.969 -7.431 0.000) 21.307 22.560 ( 9.119 11.227 0.000) 14.464 22.833 ( 1.186 5.521 0.000) 5.647 22.898 ( -3.164 5.077 0.000) 5.982 23.035 ( -7.339 2.706 0.000) 7.822 23.112 ( 4.314 -4.158 0.000) 5.992 23.285 ( 3.793 -5.976 0.000) 7.079 23.394 ( -0.716 -1.459 0.000) 1.625 23.526 ( -16.476 -8.931 0.000) 18.741 25.696 ( 7.674 4.870 0.000) 9.089 25.934 ( -4.394 0.007 0.000) 4.394 26.094 ( 1.803 16.128 0.000) 16.229 26.224 ( -2.557 7.446 0.000) 7.873 26.478 ( 5.767 -1.293 0.000) 5.910 26.690 ( -4.333 4.354 0.000) 6.143 26.719 ( 0.915 -25.256 0.000) 25.273 26.759 ( -11.630 -0.986 0.000) 11.672 27.628 ( 7.918 4.552 0.000) 9.133 27.630 ( 6.829 -5.359 0.000) 8.681 27.910 ( 0.732 -6.419 0.000) 6.461 27.972 ( -2.546 -6.550 0.000) 7.027 28.051 ( -3.723 4.968 0.000) 6.208 28.057 ( -1.531 0.454 0.000) 1.597 28.512 ( 4.168 -16.787 0.000) 17.297 28.547 ( 2.212 -4.865 0.000) 5.344 29.101 ( -1.762 -2.186 0.000) 2.808 29.137 ( -3.720 -13.343 0.000) 13.852 29.724 ( 7.411 -10.342 0.000) 12.723 29.774 ( 0.567 -11.332 0.000) 11.346 29.831 ( 0.916 8.536 0.000) 8.585 29.893 ( 3.001 -1.441 0.000) 3.329 29.977 ( -4.888 -3.208 0.000) 5.847 30.010 ( -4.545 -11.590 0.000) 12.449 31.112 ( -0.763 28.920 0.000) 28.930 31.171 ( -2.444 18.695 0.000) 18.854 31.330 ( 11.335 19.228 0.000) 22.321 31.806 ( -9.616 5.457 0.000) 11.056 32.303 ( 17.488 -4.869 0.000) 18.154 32.517 ( 6.942 -5.323 0.000) 8.748 32.738 ( -2.377 -14.881 0.000) 15.069 32.854 ( -10.978 -8.079 0.000) 13.631 33.195 ( 17.802 4.917 0.000) 18.468 33.644 ( 9.661 -9.638 0.000) 13.646 33.928 ( -19.722 3.375 0.000) 20.009 34.253 ( -21.339 -5.182 0.000) 21.959 34.288 ( 24.472 8.069 0.000) 25.768 35.076 ( 33.493 -29.603 0.000) 44.701 35.085 ( -12.347 13.986 0.000) 18.657 35.828 ( -10.178 -9.443 0.000) 13.884 36.249 ( 10.939 15.265 0.000) 18.780 37.082 ( 40.472 -8.465 0.000) 41.348 37.151 ( -41.720 59.093 0.000) 72.336 38.724 ( -42.396 -8.580 0.000) 43.256 ======================= Grid point 10 (8/84) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -16.079 7.744 0.000) 17.847 2.465 ( 16.079 7.744 0.000) 17.847 2.534 ( -18.415 1.090 0.000) 18.447 2.534 ( 18.415 1.090 0.000) 18.447 2.756 ( -1.724 1.409 0.000) 2.227 2.756 ( 1.724 1.409 0.000) 2.227 3.028 ( -4.417 -12.349 0.000) 13.116 3.028 ( 4.417 -12.349 0.000) 13.116 3.427 ( -0.279 1.736 0.000) 1.758 3.427 ( 0.279 1.736 0.000) 1.758 3.549 ( -4.852 2.313 0.000) 5.375 3.549 ( 4.852 2.313 0.000) 5.375 4.383 ( -8.076 6.608 0.000) 10.435 4.383 ( 8.076 6.608 0.000) 10.435 4.849 ( -13.085 19.760 0.000) 23.700 4.849 ( 13.085 19.760 0.000) 23.700 5.329 ( -2.599 -11.135 0.000) 11.435 5.329 ( 2.599 -11.135 0.000) 11.435 5.969 ( -5.942 -13.945 0.000) 15.158 5.969 ( 5.942 -13.945 0.000) 15.158 6.805 ( -36.892 -7.814 0.000) 37.710 6.805 ( 36.892 -7.814 0.000) 37.710 7.064 ( -4.776 -11.181 0.000) 12.158 7.064 ( 4.776 -11.181 0.000) 12.158 7.240 ( -29.655 -4.106 0.000) 29.938 7.240 ( 29.655 -4.106 0.000) 29.938 7.300 ( -1.323 8.161 0.000) 8.268 7.300 ( 1.323 8.161 0.000) 8.268 7.602 ( -40.141 15.950 0.000) 43.194 7.602 ( 40.141 15.950 0.000) 43.194 8.211 ( -17.906 4.105 0.000) 18.370 8.211 ( 17.906 4.105 0.000) 18.370 9.159 ( -2.327 10.558 0.000) 10.812 9.159 ( 2.327 10.558 0.000) 10.812 9.693 ( -33.177 -6.473 0.000) 33.803 9.693 ( 33.177 -6.473 0.000) 33.803 9.955 ( -27.844 3.522 0.000) 28.066 9.955 ( 27.844 3.522 0.000) 28.066 10.411 ( -4.519 -7.611 0.000) 8.852 10.411 ( 4.519 -7.611 0.000) 8.852 11.239 ( -3.119 -3.436 0.000) 4.641 11.239 ( 3.119 -3.436 0.000) 4.641 11.690 ( -12.259 -0.077 0.000) 12.259 11.690 ( 12.259 -0.077 0.000) 12.259 12.092 ( -6.385 -7.431 0.000) 9.797 12.092 ( 6.385 -7.431 0.000) 9.797 12.464 ( -18.506 1.045 0.000) 18.536 12.464 ( 18.506 1.045 0.000) 18.536 13.105 ( -14.810 -1.390 0.000) 14.875 13.105 ( 14.810 -1.390 0.000) 14.875 13.386 ( -14.387 7.259 0.000) 16.115 13.386 ( 14.387 7.259 0.000) 16.115 14.159 ( -2.308 -11.186 0.000) 11.421 14.159 ( 2.308 -11.186 0.000) 11.421 14.427 ( -0.632 -13.317 0.000) 13.332 14.427 ( 0.632 -13.317 0.000) 13.332 14.823 ( -17.789 18.380 0.000) 25.578 14.823 ( 17.789 18.380 0.000) 25.578 15.576 ( -4.035 16.132 0.000) 16.629 15.576 ( 4.035 16.132 0.000) 16.629 15.896 ( -0.064 -1.738 0.000) 1.739 15.896 ( 0.064 -1.738 0.000) 1.739 16.451 ( -0.431 8.513 0.000) 8.524 16.451 ( 0.431 8.513 0.000) 8.524 16.701 ( -14.566 -12.627 0.000) 19.277 16.701 ( 14.566 -12.627 0.000) 19.277 17.468 ( -1.959 -11.150 0.000) 11.321 17.468 ( 1.959 -11.150 0.000) 11.321 18.016 ( -2.307 3.311 0.000) 4.036 18.016 ( 2.307 3.311 0.000) 4.036 18.393 ( -5.153 -5.660 0.000) 7.655 18.393 ( 5.153 -5.660 0.000) 7.655 18.776 ( -7.497 7.182 0.000) 10.382 18.776 ( 7.497 7.182 0.000) 10.382 18.908 ( -3.941 15.219 0.000) 15.721 18.908 ( 3.941 15.219 0.000) 15.721 19.387 ( -2.316 -11.111 0.000) 11.349 19.387 ( 2.316 -11.111 0.000) 11.349 19.653 ( -7.802 -2.759 0.000) 8.276 19.653 ( 7.802 -2.759 0.000) 8.276 20.539 ( -0.509 1.256 0.000) 1.356 20.539 ( 0.509 1.256 0.000) 1.356 20.579 ( -7.102 4.897 0.000) 8.627 20.579 ( 7.102 4.897 0.000) 8.627 21.682 ( -26.329 -4.994 0.000) 26.799 21.682 ( 26.329 -4.994 0.000) 26.799 21.834 ( -24.351 -5.105 0.000) 24.880 21.834 ( 24.351 -5.105 0.000) 24.880 21.977 ( -4.917 2.534 0.000) 5.531 21.977 ( 4.917 2.534 0.000) 5.531 22.254 ( -1.960 -3.861 0.000) 4.330 22.254 ( 1.960 -3.861 0.000) 4.330 22.811 ( -11.903 5.731 0.000) 13.211 22.811 ( 11.903 5.731 0.000) 13.211 22.874 ( -4.886 7.002 0.000) 8.539 22.874 ( 4.886 7.002 0.000) 8.539 23.239 ( -10.501 -5.072 0.000) 11.662 23.239 ( 10.501 -5.072 0.000) 11.662 23.361 ( -3.967 -3.675 0.000) 5.408 23.361 ( 3.967 -3.675 0.000) 5.408 25.836 ( -6.541 1.790 0.000) 6.781 25.836 ( 6.541 1.790 0.000) 6.781 26.153 ( -4.353 15.408 0.000) 16.011 26.153 ( 4.353 15.408 0.000) 16.011 26.590 ( -6.843 0.612 0.000) 6.870 26.590 ( 6.843 0.612 0.000) 6.870 26.683 ( -2.732 -13.250 0.000) 13.528 26.683 ( 2.732 -13.250 0.000) 13.528 27.706 ( -0.330 -2.579 0.000) 2.600 27.706 ( 0.330 -2.579 0.000) 2.600 27.928 ( -1.353 -3.465 0.000) 3.720 27.928 ( 1.353 -3.465 0.000) 3.720 28.019 ( -1.036 5.864 0.000) 5.954 28.019 ( 1.036 5.864 0.000) 5.954 28.566 ( -0.746 -11.444 0.000) 11.469 28.566 ( 0.746 -11.444 0.000) 11.469 29.092 ( -0.992 -10.858 0.000) 10.903 29.092 ( 0.992 -10.858 0.000) 10.903 29.793 ( -0.688 -10.894 0.000) 10.916 29.793 ( 0.688 -10.894 0.000) 10.916 29.901 ( -6.463 -1.085 0.000) 6.554 29.901 ( 6.463 -1.085 0.000) 6.554 29.928 ( -1.010 -2.397 0.000) 2.601 29.928 ( 1.010 -2.397 0.000) 2.601 31.121 ( -1.855 25.579 0.000) 25.646 31.121 ( 1.855 25.579 0.000) 25.646 31.586 ( -13.852 9.391 0.000) 16.735 31.586 ( 13.852 9.391 0.000) 16.735 32.598 ( -11.340 -8.734 0.000) 14.313 32.598 ( 11.340 -8.734 0.000) 14.313 32.661 ( -2.793 -10.455 0.000) 10.822 32.661 ( 2.793 -10.455 0.000) 10.822 33.553 ( -20.335 4.327 0.000) 20.791 33.553 ( 20.335 4.327 0.000) 20.791 33.891 ( -17.028 -4.978 0.000) 17.741 33.891 ( 17.028 -4.978 0.000) 17.741 34.745 ( -23.170 11.826 0.000) 26.013 34.745 ( 23.170 11.826 0.000) 26.013 35.556 ( -19.636 -18.090 0.000) 26.699 35.556 ( 19.636 -18.090 0.000) 26.699 36.566 ( -23.510 34.300 0.000) 41.584 36.566 ( 23.510 34.300 0.000) 41.584 37.892 ( -45.912 -9.994 0.000) 46.987 37.892 ( 45.912 -9.994 0.000) 46.987 ======================= Grid point 14 (9/84) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 0.000 43.683 0.000) 43.683 1.835 ( 0.000 40.786 0.000) 40.786 2.380 ( 0.000 -17.480 0.000) 17.480 2.468 ( 0.000 -24.890 0.000) 24.890 2.680 ( 0.000 58.758 0.000) 58.758 2.834 ( 0.000 2.227 0.000) 2.227 2.903 ( 0.000 -6.684 0.000) 6.684 2.961 ( 0.000 -0.488 0.000) 0.488 2.976 ( 0.000 -1.779 0.000) 1.779 3.519 ( 0.000 -32.813 0.000) 32.813 3.585 ( 0.000 3.674 0.000) 3.674 3.668 ( 0.000 -5.240 0.000) 5.240 4.090 ( 0.000 -1.173 0.000) 1.173 4.189 ( 0.000 -13.325 0.000) 13.325 4.274 ( 0.000 4.137 0.000) 4.137 4.403 ( 0.000 -11.082 0.000) 11.082 4.835 ( 0.000 7.327 0.000) 7.327 4.997 ( 0.000 -10.081 0.000) 10.081 5.813 ( 0.000 13.691 0.000) 13.691 6.131 ( 0.000 31.128 0.000) 31.128 6.143 ( 0.000 -20.930 0.000) 20.930 6.702 ( 0.000 16.249 0.000) 16.249 6.764 ( 0.000 -36.858 0.000) 36.858 7.025 ( 0.000 25.153 0.000) 25.153 7.032 ( 0.000 -20.249 0.000) 20.249 7.285 ( 0.000 -9.701 0.000) 9.701 7.388 ( 0.000 21.089 0.000) 21.089 7.646 ( 0.000 4.802 0.000) 4.802 7.740 ( 0.000 -5.021 0.000) 5.021 7.909 ( 0.000 -29.463 0.000) 29.463 8.658 ( 0.000 9.879 0.000) 9.879 8.804 ( 0.000 -6.376 0.000) 6.376 9.359 ( 0.000 1.336 0.000) 1.336 9.364 ( 0.000 3.032 0.000) 3.032 9.947 ( 0.000 15.549 0.000) 15.549 9.994 ( 0.000 10.431 0.000) 10.431 10.094 ( 0.000 2.608 0.000) 2.608 10.227 ( 0.000 -11.837 0.000) 11.837 10.927 ( 0.000 12.477 0.000) 12.477 11.084 ( 0.000 -4.629 0.000) 4.629 11.088 ( 0.000 -1.304 0.000) 1.304 11.287 ( 0.000 -19.266 0.000) 19.266 11.639 ( 0.000 12.909 0.000) 12.909 11.751 ( 0.000 7.512 0.000) 7.512 11.818 ( 0.000 8.608 0.000) 8.608 12.019 ( 0.000 3.873 0.000) 3.873 12.156 ( 0.000 -29.557 0.000) 29.557 12.323 ( 0.000 -23.919 0.000) 23.919 13.074 ( 0.000 20.141 0.000) 20.141 13.243 ( 0.000 -5.332 0.000) 5.332 13.312 ( 0.000 16.479 0.000) 16.479 13.785 ( 0.000 -26.145 0.000) 26.145 13.856 ( 0.000 10.698 0.000) 10.698 14.025 ( 0.000 1.295 0.000) 1.295 14.047 ( 0.000 -0.530 0.000) 0.530 14.060 ( 0.000 -11.226 0.000) 11.226 14.615 ( 0.000 41.966 0.000) 41.966 15.402 ( 0.000 -39.878 0.000) 39.878 15.438 ( 0.000 34.928 0.000) 34.928 15.887 ( 0.000 18.915 0.000) 18.915 16.002 ( 0.000 -26.252 0.000) 26.252 16.247 ( 0.000 -20.257 0.000) 20.257 16.543 ( 0.000 12.307 0.000) 12.307 16.735 ( 0.000 -7.738 0.000) 7.738 16.898 ( 0.000 8.183 0.000) 8.183 17.003 ( 0.000 11.925 0.000) 11.925 17.087 ( 0.000 0.982 0.000) 0.982 17.095 ( 0.000 -13.546 0.000) 13.546 17.697 ( 0.000 14.465 0.000) 14.465 17.805 ( 0.000 2.190 0.000) 2.190 17.860 ( 0.000 -3.317 0.000) 3.317 18.095 ( 0.000 -27.067 0.000) 27.067 18.653 ( 0.000 12.738 0.000) 12.738 18.878 ( 0.000 -11.651 0.000) 11.651 19.260 ( 0.000 2.608 0.000) 2.608 19.296 ( 0.000 -1.342 0.000) 1.342 19.445 ( 0.000 12.410 0.000) 12.410 19.657 ( 0.000 -10.368 0.000) 10.368 19.948 ( 0.000 2.870 0.000) 2.870 19.979 ( 0.000 0.684 0.000) 0.684 20.126 ( 0.000 6.051 0.000) 6.051 20.248 ( 0.000 -6.462 0.000) 6.462 20.363 ( 0.000 11.808 0.000) 11.808 20.531 ( 0.000 -5.210 0.000) 5.210 20.684 ( 0.000 -0.106 0.000) 0.106 20.759 ( 0.000 -8.996 0.000) 8.996 21.860 ( 0.000 11.263 0.000) 11.263 21.913 ( 0.000 10.633 0.000) 10.633 22.044 ( 0.000 -8.477 0.000) 8.477 22.094 ( 0.000 -7.921 0.000) 7.921 22.700 ( 0.000 11.863 0.000) 11.863 22.710 ( 0.000 -0.031 0.000) 0.031 22.714 ( 0.000 -0.428 0.000) 0.428 22.922 ( 0.000 -10.097 0.000) 10.097 22.933 ( 0.000 6.605 0.000) 6.605 23.062 ( 0.000 -8.108 0.000) 8.108 23.141 ( 0.000 0.269 0.000) 0.269 23.141 ( 0.000 0.373 0.000) 0.373 23.247 ( 0.000 3.214 0.000) 3.214 23.303 ( 0.000 -2.537 0.000) 2.537 25.810 ( 0.000 -0.718 0.000) 0.718 25.815 ( 0.000 -0.946 0.000) 0.946 26.007 ( 0.000 -0.925 0.000) 0.925 26.044 ( 0.000 -5.445 0.000) 5.445 26.515 ( 0.000 20.451 0.000) 20.451 26.738 ( 0.000 22.771 0.000) 22.771 26.911 ( 0.000 -22.272 0.000) 22.272 27.047 ( 0.000 -6.495 0.000) 6.495 27.354 ( 0.000 8.070 0.000) 8.070 27.505 ( 0.000 9.898 0.000) 9.898 27.507 ( 0.000 -8.290 0.000) 8.290 27.692 ( 0.000 -11.188 0.000) 11.188 28.278 ( 0.000 9.623 0.000) 9.623 28.375 ( 0.000 7.840 0.000) 7.840 28.425 ( 0.000 -5.181 0.000) 5.181 28.499 ( 0.000 -5.718 0.000) 5.718 29.099 ( 0.000 -0.164 0.000) 0.164 29.214 ( 0.000 6.723 0.000) 6.723 29.319 ( 0.000 -22.539 0.000) 22.539 29.344 ( 0.000 -7.162 0.000) 7.162 29.887 ( 0.000 1.060 0.000) 1.060 29.911 ( 0.000 -2.285 0.000) 2.285 30.119 ( 0.000 0.765 0.000) 0.765 30.132 ( 0.000 -0.602 0.000) 0.602 31.393 ( 0.000 0.155 0.000) 0.155 31.397 ( 0.000 -0.314 0.000) 0.314 31.600 ( 0.000 21.424 0.000) 21.424 31.910 ( 0.000 -11.962 0.000) 11.962 32.088 ( 0.000 17.641 0.000) 17.641 32.420 ( 0.000 -17.997 0.000) 17.997 32.559 ( 0.000 16.035 0.000) 16.035 32.855 ( 0.000 -14.902 0.000) 14.902 32.873 ( 0.000 5.046 0.000) 5.046 32.960 ( 0.000 -4.040 0.000) 4.040 33.785 ( 0.000 1.194 0.000) 1.194 33.799 ( 0.000 -0.263 0.000) 0.263 34.505 ( 0.000 7.612 0.000) 7.612 34.671 ( 0.000 -10.110 0.000) 10.110 35.430 ( 0.000 15.469 0.000) 15.469 35.702 ( 0.000 -13.617 0.000) 13.617 36.166 ( 0.000 5.859 0.000) 5.859 36.254 ( 0.000 -3.665 0.000) 3.665 39.508 ( 0.000 2.482 0.000) 2.482 39.554 ( 0.000 -2.381 0.000) 2.381 ======================= Grid point 15 (10/84) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 11.235 34.493 0.000) 36.276 1.992 ( 16.736 36.310 0.000) 39.982 2.425 ( 4.875 -16.757 0.000) 17.452 2.528 ( 5.873 -20.018 0.000) 20.862 2.845 ( 0.553 2.226 0.000) 2.294 2.897 ( 5.409 15.914 0.000) 16.808 2.925 ( 1.804 -7.664 0.000) 7.874 2.942 ( -1.946 -1.573 0.000) 2.502 3.020 ( 16.541 25.439 0.000) 30.344 3.527 ( -5.350 4.016 0.000) 6.690 3.540 ( 1.762 -20.042 0.000) 20.119 3.621 ( -4.635 -6.064 0.000) 7.633 4.314 ( 4.492 6.737 0.000) 8.097 4.363 ( 25.292 -3.499 0.000) 25.532 4.427 ( 19.935 -8.680 0.000) 21.743 4.493 ( 9.525 -13.595 0.000) 16.600 4.982 ( 14.306 6.179 0.000) 15.583 5.140 ( 17.441 -11.500 0.000) 20.891 5.739 ( -8.385 11.892 0.000) 14.550 5.998 ( -12.457 -13.291 0.000) 18.216 6.033 ( -6.176 31.661 0.000) 32.257 6.582 ( -9.143 -8.625 0.000) 12.569 6.747 ( -0.307 -15.007 0.000) 15.010 6.906 ( -10.041 -15.133 0.000) 18.161 7.053 ( 1.088 15.457 0.000) 15.495 7.252 ( -3.301 -6.913 0.000) 7.661 7.448 ( 4.884 19.320 0.000) 19.928 7.693 ( 5.249 5.021 0.000) 7.263 7.797 ( 4.415 -6.459 0.000) 7.824 7.919 ( -0.295 -25.981 0.000) 25.983 8.798 ( 14.971 12.050 0.000) 19.218 8.980 ( 15.131 -7.769 0.000) 17.009 9.005 ( -25.619 12.203 0.000) 28.377 9.205 ( -23.797 -9.616 0.000) 25.667 9.884 ( -7.432 18.964 0.000) 20.368 9.919 ( -4.274 19.205 0.000) 19.675 10.161 ( 3.330 -9.652 0.000) 10.210 10.222 ( -8.024 -12.760 0.000) 15.074 10.792 ( -13.766 5.218 0.000) 14.722 10.894 ( -20.125 -4.994 0.000) 20.736 11.106 ( 2.198 0.091 0.000) 2.200 11.298 ( 1.368 -18.058 0.000) 18.110 11.409 ( -7.619 17.461 0.000) 19.051 11.632 ( -12.397 1.125 0.000) 12.448 11.830 ( 4.690 9.554 0.000) 10.643 12.154 ( -5.128 -22.639 0.000) 23.212 12.337 ( 22.947 -1.570 0.000) 23.001 12.460 ( 18.872 -17.285 0.000) 25.591 12.897 ( -15.459 19.184 0.000) 24.637 13.082 ( -13.194 -3.394 0.000) 13.624 13.419 ( 4.292 12.563 0.000) 13.276 13.795 ( -1.689 -21.791 0.000) 21.856 13.946 ( 7.435 8.795 0.000) 11.517 14.056 ( 1.174 -0.223 0.000) 1.195 14.060 ( 3.685 -0.690 0.000) 3.749 14.128 ( 5.854 -10.437 0.000) 11.967 14.690 ( 8.224 38.802 0.000) 39.664 15.413 ( 1.133 -35.208 0.000) 35.226 15.450 ( 0.596 30.950 0.000) 30.956 15.884 ( 0.691 13.445 0.000) 13.463 15.931 ( -7.242 -21.248 0.000) 22.448 16.166 ( -5.171 -15.274 0.000) 16.126 16.472 ( -10.190 15.574 0.000) 18.611 16.637 ( -3.141 2.736 0.000) 4.165 16.920 ( -4.033 -6.371 0.000) 7.540 16.995 ( -3.230 14.240 0.000) 14.602 17.036 ( -2.525 -14.364 0.000) 14.584 17.161 ( 6.773 -3.559 0.000) 7.651 17.802 ( 9.891 11.862 0.000) 15.445 17.881 ( 7.996 4.278 0.000) 9.068 17.969 ( 9.705 -4.695 0.000) 10.781 18.139 ( 4.548 -22.799 0.000) 23.249 18.690 ( 4.181 13.105 0.000) 13.756 18.924 ( 4.879 -12.385 0.000) 13.311 19.172 ( -7.380 5.191 0.000) 9.023 19.267 ( -2.907 -5.130 0.000) 5.897 19.403 ( -5.079 11.630 0.000) 12.691 19.578 ( -5.959 -6.777 0.000) 9.025 19.717 ( -16.116 12.219 0.000) 20.225 19.896 ( -10.079 -7.193 0.000) 12.383 20.280 ( 11.775 5.447 0.000) 12.974 20.360 ( 9.167 -4.132 0.000) 10.055 20.536 ( 8.907 7.090 0.000) 11.384 20.621 ( 15.234 2.880 0.000) 15.504 20.725 ( 0.540 -4.520 0.000) 4.552 20.826 ( 12.311 -10.130 0.000) 15.943 21.867 ( 1.506 9.957 0.000) 10.070 21.946 ( 3.176 10.405 0.000) 10.879 22.034 ( -0.949 -7.632 0.000) 7.691 22.134 ( 3.553 -9.230 0.000) 9.890 22.583 ( -11.764 3.003 0.000) 12.141 22.652 ( -10.742 -4.833 0.000) 11.780 22.714 ( 1.969 13.377 0.000) 13.522 22.936 ( 0.778 5.543 0.000) 5.597 22.942 ( 1.905 -8.364 0.000) 8.578 23.062 ( -4.064 4.438 0.000) 6.018 23.076 ( 1.628 -8.817 0.000) 8.966 23.129 ( -3.483 -2.381 0.000) 4.218 23.357 ( 3.828 -0.209 0.000) 3.833 23.395 ( 8.366 -6.189 0.000) 10.406 25.777 ( 2.201 9.779 0.000) 10.024 25.998 ( -0.336 1.814 0.000) 1.845 25.999 ( 13.104 -15.050 0.000) 19.955 26.083 ( 3.484 -7.414 0.000) 8.192 26.479 ( -3.295 18.129 0.000) 18.427 26.708 ( -3.178 20.017 0.000) 20.268 26.820 ( -7.830 -16.628 0.000) 18.379 26.948 ( -8.992 -2.648 0.000) 9.374 27.443 ( 7.749 4.223 0.000) 8.825 27.576 ( 5.825 5.212 0.000) 7.817 27.584 ( 7.464 -10.321 0.000) 12.737 27.708 ( 1.729 -10.176 0.000) 10.322 28.257 ( -2.236 10.249 0.000) 10.490 28.277 ( -8.279 7.575 0.000) 11.221 28.404 ( -7.880 -6.325 0.000) 10.104 28.424 ( -0.442 -6.871 0.000) 6.886 29.081 ( -1.288 2.579 0.000) 2.883 29.244 ( 1.513 8.209 0.000) 8.347 29.336 ( 1.694 -23.173 0.000) 23.235 29.408 ( 5.138 -9.349 0.000) 10.668 29.893 ( 0.876 1.846 0.000) 2.044 29.928 ( 1.236 -2.535 0.000) 2.821 29.994 ( -8.557 3.009 0.000) 9.070 30.044 ( -7.452 -2.551 0.000) 7.877 31.437 ( 3.843 7.849 0.000) 8.739 31.483 ( 7.204 3.872 0.000) 8.178 31.595 ( -0.457 21.550 0.000) 21.555 31.896 ( -1.641 -10.534 0.000) 10.661 32.109 ( 3.727 13.136 0.000) 13.655 32.425 ( 0.090 -19.556 0.000) 19.556 32.533 ( -2.592 13.081 0.000) 13.335 32.802 ( -5.655 -14.420 0.000) 15.489 33.014 ( 13.374 6.865 0.000) 15.033 33.172 ( 16.434 -11.129 0.000) 19.848 33.981 ( 20.406 4.621 0.000) 20.923 34.073 ( 28.598 -5.825 0.000) 29.186 34.346 ( -15.110 6.779 0.000) 16.561 34.490 ( -16.731 -8.659 0.000) 18.839 35.482 ( 1.813 17.221 0.000) 17.316 35.767 ( 0.781 -13.254 0.000) 13.277 36.238 ( 9.161 7.042 0.000) 11.555 36.364 ( 15.737 -6.496 0.000) 17.025 38.970 ( -48.666 22.211 0.000) 53.495 39.244 ( -32.620 -10.250 0.000) 34.193 ======================= Grid point 16 (11/84) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.229 ( 19.091 19.257 0.000) 27.116 2.347 ( 19.340 21.666 0.000) 29.042 2.556 ( 9.120 -13.422 0.000) 16.228 2.653 ( 6.895 -10.601 0.000) 12.646 2.807 ( -6.321 2.944 0.000) 6.973 2.841 ( -6.631 1.791 0.000) 6.869 2.876 ( -4.487 -2.774 0.000) 5.275 2.920 ( -4.142 -9.583 0.000) 10.440 3.391 ( 13.946 14.199 0.000) 19.903 3.447 ( -1.488 3.957 0.000) 4.228 3.540 ( -2.540 -6.275 0.000) 6.769 3.553 ( -0.835 -5.311 0.000) 5.376 4.445 ( 9.449 13.269 0.000) 16.289 4.650 ( 5.615 11.083 0.000) 12.424 4.738 ( 16.001 -18.551 0.000) 24.498 4.860 ( 19.951 -7.476 0.000) 21.306 5.222 ( 6.584 14.304 0.000) 15.747 5.507 ( -14.908 16.170 0.000) 21.994 5.572 ( 16.609 -23.054 0.000) 28.414 5.792 ( -9.190 -13.080 0.000) 15.986 6.114 ( 23.071 21.270 0.000) 31.379 6.561 ( 11.437 -22.253 0.000) 25.020 6.824 ( 11.189 -2.428 0.000) 11.450 6.884 ( 13.006 -5.832 0.000) 14.253 7.014 ( -5.832 4.694 0.000) 7.486 7.134 ( -11.288 -8.042 0.000) 13.860 7.504 ( -0.290 17.206 0.000) 17.209 7.784 ( 3.654 10.420 0.000) 11.042 7.797 ( -16.826 -12.773 0.000) 21.125 7.919 ( 10.149 -4.887 0.000) 11.264 8.484 ( -30.232 10.312 0.000) 31.942 8.642 ( -33.162 -6.336 0.000) 33.762 9.152 ( 21.573 5.728 0.000) 22.320 9.246 ( 11.260 -3.114 0.000) 11.682 9.659 ( -20.522 17.408 0.000) 26.910 9.814 ( 2.833 20.886 0.000) 21.077 9.956 ( -17.863 -14.573 0.000) 23.053 10.189 ( 0.333 -18.499 0.000) 18.502 10.437 ( -22.985 0.003 0.000) 22.985 10.466 ( -20.509 -3.096 0.000) 20.741 11.172 ( 4.559 2.298 0.000) 5.106 11.355 ( 5.276 -16.549 0.000) 17.370 11.374 ( -5.465 12.941 0.000) 14.048 11.511 ( 3.063 0.839 0.000) 3.176 11.998 ( 8.118 -1.569 0.000) 8.268 12.095 ( 7.453 -11.415 0.000) 13.632 12.566 ( -19.598 17.615 0.000) 26.351 12.756 ( 22.515 2.034 0.000) 22.606 12.781 ( -18.777 -5.969 0.000) 19.703 12.897 ( 25.079 -12.579 0.000) 28.057 13.398 ( -7.422 10.587 0.000) 12.930 13.656 ( -13.178 -12.503 0.000) 18.165 14.057 ( 3.808 6.649 0.000) 7.663 14.075 ( 0.956 0.997 0.000) 1.381 14.156 ( 5.398 -6.926 0.000) 8.781 14.218 ( 3.012 -9.790 0.000) 10.243 14.914 ( 15.235 30.677 0.000) 34.252 15.410 ( -6.274 22.272 0.000) 23.138 15.454 ( 3.960 -23.828 0.000) 24.155 15.760 ( -10.470 -15.506 0.000) 18.709 15.926 ( 3.633 9.410 0.000) 10.087 16.169 ( 6.867 -14.094 0.000) 15.678 16.236 ( -12.949 23.328 0.000) 26.681 16.611 ( -3.817 -8.230 0.000) 9.072 16.745 ( -8.606 4.987 0.000) 9.947 16.897 ( -6.799 20.289 0.000) 21.398 17.068 ( 4.533 -20.020 0.000) 20.527 17.231 ( -0.194 -14.814 0.000) 14.816 18.004 ( 10.382 10.335 0.000) 14.649 18.047 ( 8.136 5.792 0.000) 9.987 18.156 ( 9.250 -5.665 0.000) 10.847 18.237 ( 4.750 -13.793 0.000) 14.588 18.807 ( 7.936 12.610 0.000) 14.899 19.040 ( -6.250 8.404 0.000) 10.474 19.044 ( 7.318 -13.178 0.000) 15.073 19.211 ( -2.741 -10.144 0.000) 10.508 19.271 ( -7.371 14.560 0.000) 16.319 19.424 ( -14.562 16.269 0.000) 21.834 19.497 ( -2.436 -8.924 0.000) 9.250 19.684 ( -11.521 -11.421 0.000) 16.223 20.488 ( 9.575 3.600 0.000) 10.229 20.517 ( 7.195 0.019 0.000) 7.195 20.598 ( 1.286 6.459 0.000) 6.586 20.705 ( -2.162 -2.632 0.000) 3.406 21.081 ( 29.459 1.266 0.000) 29.486 21.197 ( 25.720 -9.134 0.000) 27.294 21.897 ( -0.851 5.025 0.000) 5.096 22.006 ( -3.131 -5.473 0.000) 6.306 22.008 ( 3.076 8.820 0.000) 9.341 22.180 ( 0.471 -9.587 0.000) 9.598 22.264 ( -20.806 2.785 0.000) 20.992 22.344 ( -19.672 -6.070 0.000) 20.587 22.799 ( 7.427 13.441 0.000) 15.357 22.955 ( 1.559 6.371 0.000) 6.559 22.996 ( -3.149 5.277 0.000) 6.145 23.006 ( 5.095 -6.344 0.000) 8.136 23.062 ( -3.517 -0.984 0.000) 3.652 23.133 ( 4.933 -9.998 0.000) 11.149 23.364 ( -5.151 -1.113 0.000) 5.270 23.391 ( -7.057 -4.493 0.000) 8.366 25.871 ( 6.676 14.591 0.000) 16.046 25.997 ( -0.135 6.834 0.000) 6.836 26.161 ( 4.716 -9.963 0.000) 11.022 26.228 ( 8.928 -24.251 0.000) 25.842 26.424 ( -0.893 17.537 0.000) 17.560 26.632 ( -4.738 13.195 0.000) 14.020 26.682 ( -5.959 -9.206 0.000) 10.967 26.764 ( -10.012 0.294 0.000) 10.016 27.585 ( 6.799 2.230 0.000) 7.155 27.663 ( 2.816 1.003 0.000) 2.990 27.732 ( 6.662 -13.125 0.000) 14.719 27.754 ( 2.865 -9.113 0.000) 9.553 28.157 ( -3.326 6.929 0.000) 7.686 28.203 ( -3.245 10.450 0.000) 10.942 28.292 ( -2.848 -8.435 0.000) 8.903 28.393 ( -3.219 -10.487 0.000) 10.970 29.077 ( 1.291 8.188 0.000) 8.289 29.220 ( -4.001 11.708 0.000) 12.373 29.380 ( 3.040 -22.772 0.000) 22.974 29.473 ( 0.958 -15.235 0.000) 15.265 29.910 ( -0.703 2.087 0.000) 2.202 29.914 ( 1.082 1.565 0.000) 1.903 29.938 ( -2.989 -1.391 0.000) 3.297 29.940 ( -0.132 -1.475 0.000) 1.481 31.514 ( 3.909 15.413 0.000) 15.901 31.584 ( -0.787 21.541 0.000) 21.556 31.608 ( 6.339 7.357 0.000) 9.712 31.842 ( -4.439 -5.253 0.000) 6.878 32.238 ( 9.667 1.249 0.000) 9.747 32.428 ( 0.380 -16.963 0.000) 16.967 32.477 ( -3.044 4.006 0.000) 5.031 32.654 ( -9.938 -12.622 0.000) 16.065 33.308 ( 17.649 7.413 0.000) 19.142 33.462 ( 15.752 -9.534 0.000) 18.413 34.016 ( -19.409 6.124 0.000) 20.352 34.138 ( -20.002 -6.933 0.000) 21.169 34.469 ( 29.742 11.365 0.000) 31.840 34.701 ( 34.687 -14.884 0.000) 37.746 35.374 ( -14.040 16.076 0.000) 21.344 35.635 ( -14.237 -12.367 0.000) 18.858 36.557 ( 25.649 17.785 0.000) 31.212 36.863 ( 35.679 -15.116 0.000) 38.749 38.004 ( -50.983 35.125 0.000) 61.911 38.481 ( -46.545 -18.822 0.000) 50.207 ======================= Grid point 17 (12/84) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( -15.805 7.235 0.000) 17.382 2.579 ( 15.805 7.235 0.000) 17.382 2.654 ( -10.618 8.273 0.000) 13.461 2.654 ( 10.618 8.273 0.000) 13.461 2.742 ( -3.924 -5.104 0.000) 6.438 2.742 ( 3.924 -5.104 0.000) 6.438 2.797 ( -0.043 -10.054 0.000) 10.054 2.797 ( 0.043 -10.054 0.000) 10.054 3.476 ( -2.463 3.163 0.000) 4.009 3.476 ( 2.463 3.163 0.000) 4.009 3.535 ( -0.534 -2.902 0.000) 2.951 3.535 ( 0.534 -2.902 0.000) 2.951 4.625 ( -7.815 18.786 0.000) 20.346 4.625 ( 7.815 18.786 0.000) 20.346 4.994 ( -6.778 -18.502 0.000) 19.705 4.994 ( 6.778 -18.502 0.000) 19.705 5.284 ( -6.575 20.640 0.000) 21.662 5.284 ( 6.575 20.640 0.000) 21.662 5.663 ( -3.675 -19.292 0.000) 19.639 5.663 ( 3.675 -19.292 0.000) 19.639 6.747 ( -31.152 1.285 0.000) 31.179 6.747 ( 31.152 1.285 0.000) 31.179 6.844 ( -13.550 -9.404 0.000) 16.494 6.844 ( 13.550 -9.404 0.000) 16.494 7.258 ( -33.777 3.991 0.000) 34.012 7.258 ( 33.777 3.991 0.000) 34.012 7.334 ( -24.188 -2.796 0.000) 24.349 7.334 ( 24.188 -2.796 0.000) 24.349 7.937 ( -19.709 17.428 0.000) 26.310 7.937 ( 19.709 17.428 0.000) 26.310 8.175 ( -17.755 -8.064 0.000) 19.501 8.175 ( 17.755 -8.064 0.000) 19.501 9.387 ( -8.019 12.317 0.000) 14.697 9.387 ( 8.019 12.317 0.000) 14.697 9.566 ( -22.614 -7.743 0.000) 23.902 9.566 ( 22.614 -7.743 0.000) 23.902 10.040 ( -19.514 7.085 0.000) 20.760 10.040 ( 19.514 7.085 0.000) 20.760 10.223 ( -5.319 -11.834 0.000) 12.974 10.223 ( 5.319 -11.834 0.000) 12.974 11.262 ( -5.368 6.955 0.000) 8.786 11.262 ( 5.368 6.955 0.000) 8.786 11.483 ( -6.841 -15.900 0.000) 17.310 11.483 ( 6.841 -15.900 0.000) 17.310 12.207 ( -17.621 13.429 0.000) 22.155 12.207 ( 17.621 13.429 0.000) 22.155 12.412 ( -20.374 -7.311 0.000) 21.647 12.412 ( 20.374 -7.311 0.000) 21.647 13.147 ( -18.683 6.569 0.000) 19.805 13.147 ( 18.683 6.569 0.000) 19.805 13.332 ( -21.244 -11.305 0.000) 24.064 13.332 ( 21.244 -11.305 0.000) 24.064 14.088 ( -0.050 4.463 0.000) 4.463 14.088 ( 0.050 4.463 0.000) 4.463 14.228 ( -1.923 -9.362 0.000) 9.558 14.228 ( 1.923 -9.362 0.000) 9.558 15.206 ( -14.900 22.211 0.000) 26.746 15.206 ( 14.900 22.211 0.000) 26.746 15.574 ( -8.859 -16.118 0.000) 18.392 15.574 ( 8.859 -16.118 0.000) 18.392 16.033 ( -8.446 18.160 0.000) 20.028 16.033 ( 8.446 18.160 0.000) 20.028 16.388 ( -14.879 -19.145 0.000) 24.247 16.388 ( 14.879 -19.145 0.000) 24.247 16.767 ( -6.337 21.917 0.000) 22.815 16.767 ( 6.337 21.917 0.000) 22.815 17.170 ( -5.457 -20.595 0.000) 21.306 17.170 ( 5.457 -20.595 0.000) 21.306 18.122 ( -1.111 7.699 0.000) 7.779 18.122 ( 1.111 7.699 0.000) 7.779 18.269 ( -2.147 -7.833 0.000) 8.121 18.269 ( 2.147 -7.833 0.000) 8.121 18.942 ( -5.515 10.629 0.000) 11.974 18.942 ( 5.515 10.629 0.000) 11.974 19.156 ( -4.104 -12.180 0.000) 12.853 19.156 ( 4.104 -12.180 0.000) 12.853 19.226 ( -4.813 17.392 0.000) 18.046 19.226 ( 4.813 17.392 0.000) 18.046 19.516 ( -5.421 -12.615 0.000) 13.730 19.516 ( 5.421 -12.615 0.000) 13.730 20.592 ( -2.305 4.142 0.000) 4.740 20.592 ( 2.305 4.142 0.000) 4.740 20.639 ( -5.356 0.317 0.000) 5.365 20.639 ( 5.356 0.317 0.000) 5.365 21.629 ( -27.231 0.679 0.000) 27.240 21.629 ( 27.231 0.679 0.000) 27.240 21.710 ( -27.524 -7.122 0.000) 28.431 21.710 ( 27.524 -7.122 0.000) 28.431 22.055 ( -2.674 5.528 0.000) 6.141 22.055 ( 2.674 5.528 0.000) 6.141 22.162 ( -0.336 -5.870 0.000) 5.879 22.162 ( 0.336 -5.870 0.000) 5.879 22.931 ( -4.880 6.743 0.000) 8.324 22.931 ( 4.880 6.743 0.000) 8.324 22.999 ( -3.213 2.937 0.000) 4.353 22.999 ( 3.213 2.937 0.000) 4.353 23.159 ( -11.948 -0.361 0.000) 11.953 23.159 ( 11.948 -0.361 0.000) 11.953 23.258 ( -7.862 -7.208 0.000) 10.666 23.258 ( 7.862 -7.208 0.000) 10.666 25.971 ( -3.317 12.580 0.000) 13.010 25.971 ( 3.317 12.580 0.000) 13.010 26.247 ( -3.994 -13.871 0.000) 14.434 26.247 ( 3.994 -13.871 0.000) 14.434 26.520 ( -8.111 8.289 0.000) 11.598 26.520 ( 8.111 8.289 0.000) 11.598 26.635 ( -1.887 -1.611 0.000) 2.481 26.635 ( 1.887 -1.611 0.000) 2.481 27.671 ( -2.101 1.078 0.000) 2.361 27.671 ( 2.101 1.078 0.000) 2.361 27.788 ( -0.140 -10.249 0.000) 10.250 27.788 ( 0.140 -10.249 0.000) 10.250 28.152 ( -1.861 7.773 0.000) 7.993 28.152 ( 1.861 7.773 0.000) 7.993 28.314 ( -4.290 -11.519 0.000) 12.292 28.314 ( 4.290 -11.519 0.000) 12.292 29.133 ( -4.478 12.106 0.000) 12.908 29.133 ( 4.478 12.106 0.000) 12.908 29.443 ( -3.348 -20.436 0.000) 20.708 29.443 ( 3.348 -20.436 0.000) 20.708 29.922 ( -0.475 0.642 0.000) 0.798 29.922 ( 0.475 0.642 0.000) 0.798 29.925 ( -0.962 0.196 0.000) 0.981 29.925 ( 0.962 0.196 0.000) 0.981 31.564 ( -1.583 20.053 0.000) 20.116 31.564 ( 1.583 20.053 0.000) 20.116 31.733 ( -6.919 2.737 0.000) 7.441 31.733 ( 6.919 2.737 0.000) 7.441 32.422 ( -5.638 -6.806 0.000) 8.838 32.422 ( 5.638 -6.806 0.000) 8.838 32.462 ( -7.473 -9.524 0.000) 12.106 32.462 ( 7.473 -9.524 0.000) 12.106 33.653 ( -19.474 6.480 0.000) 20.524 33.653 ( 19.474 6.480 0.000) 20.524 33.778 ( -18.523 -6.954 0.000) 19.785 33.778 ( 18.523 -6.954 0.000) 19.785 34.996 ( -25.691 14.788 0.000) 29.643 34.996 ( 25.691 14.788 0.000) 29.643 35.265 ( -25.542 -14.863 0.000) 29.551 35.265 ( 25.542 -14.863 0.000) 29.551 37.163 ( -39.468 29.802 0.000) 49.456 37.163 ( 39.468 29.802 0.000) 49.456 37.619 ( -44.989 -20.103 0.000) 49.277 37.619 ( 44.989 -20.103 0.000) 49.277 ======================= Grid point 35 (13/84) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.000 0.000 48.530) 48.530 0.995 ( 0.000 0.000 50.130) 50.130 1.600 ( 0.000 0.000 76.293) 76.293 2.547 ( 0.000 0.000 4.107) 4.107 2.747 ( 0.000 0.000 1.482) 1.482 2.804 ( 0.000 0.000 0.994) 0.994 3.050 ( 0.000 0.000 2.329) 2.329 3.050 ( 0.000 0.000 4.237) 4.237 3.165 ( 0.000 0.000 -0.137) 0.137 3.493 ( 0.000 0.000 -3.476) 3.476 3.741 ( 0.000 0.000 -3.158) 3.158 3.870 ( 0.000 0.000 -10.756) 10.756 4.280 ( 0.000 0.000 8.325) 8.325 4.423 ( 0.000 0.000 0.578) 0.578 4.946 ( 0.000 0.000 21.980) 21.980 5.179 ( 0.000 0.000 17.521) 17.521 5.296 ( 0.000 0.000 33.619) 33.619 5.326 ( 0.000 0.000 15.716) 15.716 5.394 ( 0.000 0.000 -2.714) 2.714 5.496 ( 0.000 0.000 41.537) 41.537 6.217 ( 0.000 0.000 4.292) 4.292 6.264 ( 0.000 0.000 -6.016) 6.016 6.683 ( 0.000 0.000 11.465) 11.465 6.892 ( 0.000 0.000 -10.149) 10.149 7.595 ( 0.000 0.000 8.253) 8.253 7.599 ( 0.000 0.000 -13.102) 13.102 7.651 ( 0.000 0.000 3.141) 3.141 7.730 ( 0.000 0.000 -3.646) 3.646 8.136 ( 0.000 0.000 1.760) 1.760 8.201 ( 0.000 0.000 11.539) 11.539 8.273 ( 0.000 0.000 2.163) 2.163 8.846 ( 0.000 0.000 -7.459) 7.459 9.000 ( 0.000 0.000 -2.261) 2.261 9.415 ( 0.000 0.000 -0.140) 0.140 9.842 ( 0.000 0.000 1.579) 1.579 9.842 ( 0.000 0.000 13.969) 13.969 9.932 ( 0.000 0.000 3.445) 3.445 10.257 ( 0.000 0.000 -6.136) 6.136 10.499 ( 0.000 0.000 -3.295) 3.295 11.205 ( 0.000 0.000 3.044) 3.044 11.384 ( 0.000 0.000 -6.521) 6.521 11.519 ( 0.000 0.000 -4.583) 4.583 11.676 ( 0.000 0.000 10.271) 10.271 11.739 ( 0.000 0.000 8.161) 8.161 11.891 ( 0.000 0.000 3.655) 3.655 11.952 ( 0.000 0.000 -8.612) 8.612 12.219 ( 0.000 0.000 3.094) 3.094 12.831 ( 0.000 0.000 -8.324) 8.324 13.076 ( 0.000 0.000 -3.592) 3.592 13.284 ( 0.000 0.000 -3.379) 3.379 13.345 ( 0.000 0.000 11.813) 11.813 13.445 ( 0.000 0.000 2.366) 2.366 13.607 ( 0.000 0.000 0.559) 0.559 13.980 ( 0.000 0.000 -1.632) 1.632 14.047 ( 0.000 0.000 1.975) 1.975 14.368 ( 0.000 0.000 -0.916) 0.916 14.461 ( 0.000 0.000 2.193) 2.193 14.704 ( 0.000 0.000 3.841) 3.841 15.492 ( 0.000 0.000 2.792) 2.792 16.116 ( 0.000 0.000 -4.947) 4.947 16.196 ( 0.000 0.000 -4.358) 4.358 16.333 ( 0.000 0.000 -12.105) 12.105 16.495 ( 0.000 0.000 -3.841) 3.841 16.520 ( 0.000 0.000 -14.046) 14.046 16.853 ( 0.000 0.000 4.548) 4.548 16.969 ( 0.000 0.000 7.635) 7.635 17.066 ( 0.000 0.000 12.483) 12.483 17.397 ( 0.000 0.000 -5.050) 5.050 17.691 ( 0.000 0.000 9.308) 9.308 17.922 ( 0.000 0.000 5.883) 5.883 18.146 ( 0.000 0.000 -0.866) 0.866 18.233 ( 0.000 0.000 -4.284) 4.284 18.738 ( 0.000 0.000 -5.020) 5.020 18.920 ( 0.000 0.000 -19.227) 19.227 18.983 ( 0.000 0.000 -14.808) 14.808 19.072 ( 0.000 0.000 -4.007) 4.007 19.272 ( 0.000 0.000 -6.136) 6.136 19.424 ( 0.000 0.000 -12.977) 12.977 19.955 ( 0.000 0.000 7.232) 7.232 19.966 ( 0.000 0.000 8.339) 8.339 20.045 ( 0.000 0.000 -1.295) 1.295 20.257 ( 0.000 0.000 12.473) 12.473 20.401 ( 0.000 0.000 2.289) 2.289 20.644 ( 0.000 0.000 -8.819) 8.819 20.817 ( 0.000 0.000 -0.645) 0.645 20.931 ( 0.000 0.000 -4.879) 4.879 21.577 ( 0.000 0.000 -8.567) 8.567 21.593 ( 0.000 0.000 1.670) 1.670 22.230 ( 0.000 0.000 -23.386) 23.386 22.236 ( 0.000 0.000 1.673) 1.673 22.300 ( 0.000 0.000 10.055) 10.055 22.454 ( 0.000 0.000 -22.122) 22.122 22.810 ( 0.000 0.000 -0.419) 0.419 23.026 ( 0.000 0.000 -16.598) 16.598 23.039 ( 0.000 0.000 -4.324) 4.324 23.121 ( 0.000 0.000 12.702) 12.702 23.236 ( 0.000 0.000 6.303) 6.303 23.303 ( 0.000 0.000 4.134) 4.134 23.404 ( 0.000 0.000 6.644) 6.644 24.833 ( 0.000 0.000 1.699) 1.699 25.344 ( 0.000 0.000 -8.373) 8.373 25.670 ( 0.000 0.000 -16.870) 16.870 25.691 ( 0.000 0.000 -18.466) 18.466 26.120 ( 0.000 0.000 -6.975) 6.975 26.184 ( 0.000 0.000 -24.560) 24.560 26.408 ( 0.000 0.000 -19.104) 19.104 26.845 ( 0.000 0.000 -15.679) 15.679 27.288 ( 0.000 0.000 27.009) 27.009 27.439 ( 0.000 0.000 -14.810) 14.810 27.556 ( 0.000 0.000 7.870) 7.870 27.694 ( 0.000 0.000 24.013) 24.013 28.178 ( 0.000 0.000 12.847) 12.847 28.319 ( 0.000 0.000 21.437) 21.437 28.347 ( 0.000 0.000 -11.660) 11.660 28.413 ( 0.000 0.000 18.051) 18.051 29.188 ( 0.000 0.000 11.082) 11.082 29.420 ( 0.000 0.000 1.577) 1.577 29.470 ( 0.000 0.000 -6.657) 6.657 29.686 ( 0.000 0.000 15.406) 15.406 29.821 ( 0.000 0.000 2.226) 2.226 30.000 ( 0.000 0.000 10.661) 10.661 30.101 ( 0.000 0.000 0.522) 0.522 30.181 ( 0.000 0.000 4.292) 4.292 30.317 ( 0.000 0.000 14.539) 14.539 30.752 ( 0.000 0.000 11.126) 11.126 31.067 ( 0.000 0.000 -21.231) 21.231 31.395 ( 0.000 0.000 2.108) 2.108 31.529 ( 0.000 0.000 -3.428) 3.428 31.665 ( 0.000 0.000 -4.025) 4.025 32.142 ( 0.000 0.000 12.594) 12.594 32.615 ( 0.000 0.000 24.865) 24.865 32.725 ( 0.000 0.000 -3.461) 3.461 32.916 ( 0.000 0.000 5.478) 5.478 33.237 ( 0.000 0.000 9.219) 9.219 33.601 ( 0.000 0.000 -12.323) 12.323 33.751 ( 0.000 0.000 -3.716) 3.716 34.419 ( 0.000 0.000 4.551) 4.551 34.961 ( 0.000 0.000 -1.804) 1.804 35.229 ( 0.000 0.000 17.951) 17.951 35.999 ( 0.000 0.000 -0.287) 0.287 36.239 ( 0.000 0.000 -0.873) 0.873 36.292 ( 0.000 0.000 -1.099) 1.099 37.636 ( 0.000 0.000 -7.766) 7.766 39.373 ( 0.000 0.000 -22.796) 22.796 ======================= Grid point 36 (14/84) ======================= q-point: ( 0.17 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 34.388 0.000 34.397) 48.639 1.385 ( 31.547 0.000 30.873) 44.141 2.112 ( 46.905 0.000 49.402) 68.122 2.582 ( 4.261 0.000 3.761) 5.683 2.756 ( 0.393 0.000 1.239) 1.300 2.824 ( 1.681 0.000 0.560) 1.772 3.007 ( -4.423 0.000 2.443) 5.053 3.058 ( 0.722 0.000 3.586) 3.658 3.193 ( 2.987 0.000 -0.342) 3.007 3.430 ( -5.855 0.000 -1.402) 6.021 3.732 ( -1.221 0.000 -2.756) 3.015 3.791 ( -7.707 0.000 -8.494) 11.469 4.391 ( 6.654 0.000 15.217) 16.608 4.430 ( 0.842 0.000 0.908) 1.238 5.093 ( -4.334 0.000 17.582) 18.108 5.118 ( 16.141 0.000 24.100) 29.006 5.371 ( 7.816 0.000 14.637) 16.593 5.419 ( 9.902 0.000 18.000) 20.543 5.590 ( 17.852 0.000 9.107) 20.041 5.736 ( 8.862 0.000 25.979) 27.449 5.927 ( -8.378 0.000 18.121) 19.964 6.305 ( 6.162 0.000 -6.592) 9.023 6.800 ( 7.541 0.000 4.323) 8.692 6.846 ( -5.583 0.000 -10.953) 12.293 7.328 ( -11.593 0.000 1.898) 11.747 7.508 ( -15.198 0.000 -11.142) 18.845 7.634 ( 3.117 0.000 11.419) 11.837 7.938 ( 6.629 0.000 1.936) 6.906 8.032 ( -16.983 0.000 -1.301) 17.033 8.155 ( -2.203 0.000 2.773) 3.542 8.427 ( 19.310 0.000 1.453) 19.365 8.710 ( -19.130 0.000 7.134) 20.417 8.996 ( 9.648 0.000 -9.032) 13.216 9.419 ( -18.213 0.000 3.800) 18.605 9.487 ( -29.521 0.000 7.345) 30.421 9.618 ( 6.327 0.000 9.713) 11.592 10.157 ( 6.556 0.000 -6.562) 9.275 10.448 ( -1.877 0.000 4.127) 4.534 10.586 ( 18.989 0.000 -7.560) 20.438 10.989 ( -20.802 0.000 4.706) 21.327 11.169 ( -22.888 0.000 -4.787) 23.383 11.396 ( -9.681 0.000 4.078) 10.505 11.637 ( -6.222 0.000 5.799) 8.505 11.679 ( 13.703 0.000 -2.625) 13.953 11.871 ( 0.005 0.000 1.214) 1.214 12.058 ( -4.185 0.000 -1.725) 4.526 12.459 ( 21.505 0.000 0.809) 21.520 12.780 ( -4.369 0.000 -6.796) 8.080 12.929 ( -10.257 0.000 -2.632) 10.590 13.088 ( -10.620 0.000 2.343) 10.876 13.388 ( 2.220 0.000 -0.181) 2.228 13.438 ( -1.437 0.000 1.843) 2.337 14.028 ( 26.458 0.000 1.502) 26.500 14.032 ( 5.227 0.000 -3.049) 6.051 14.104 ( 10.143 0.000 4.187) 10.973 14.390 ( -0.657 0.000 3.428) 3.491 14.450 ( 3.697 0.000 0.333) 3.712 14.727 ( 0.292 0.000 1.467) 1.496 15.452 ( -3.844 0.000 -0.171) 3.847 15.957 ( -19.565 0.000 -5.170) 20.236 16.179 ( 6.889 0.000 -4.874) 8.439 16.190 ( -10.294 0.000 -3.508) 10.875 16.487 ( -0.903 0.000 -2.174) 2.354 16.516 ( -17.165 0.000 8.653) 19.223 16.852 ( -10.041 0.000 7.077) 12.285 16.869 ( 18.082 0.000 -13.922) 22.820 17.277 ( 13.696 0.000 5.058) 14.600 17.369 ( -10.027 0.000 -2.695) 10.383 17.712 ( 7.487 0.000 0.649) 7.515 18.036 ( -3.303 0.000 -1.193) 3.512 18.036 ( 9.647 0.000 3.157) 10.151 18.410 ( 9.308 0.000 2.667) 9.682 18.654 ( -6.435 0.000 -11.990) 13.608 18.727 ( -11.358 0.000 -10.628) 15.555 18.994 ( -6.538 0.000 -4.571) 7.978 19.160 ( 7.315 0.000 -8.068) 10.891 19.325 ( 4.738 0.000 -5.959) 7.614 19.332 ( -0.530 0.000 0.236) 0.580 19.641 ( -16.118 0.000 3.787) 16.557 19.994 ( -4.895 0.000 -1.130) 5.024 20.126 ( 7.675 0.000 8.583) 11.514 20.487 ( 15.587 0.000 6.190) 16.771 20.518 ( -3.918 0.000 -3.109) 5.002 20.539 ( 3.816 0.000 -4.496) 5.897 20.962 ( 5.431 0.000 -3.181) 6.294 20.973 ( 14.420 0.000 -2.727) 14.676 21.621 ( 5.868 0.000 -1.087) 5.968 21.625 ( 4.836 0.000 -8.572) 9.842 22.187 ( -5.215 0.000 -2.718) 5.881 22.192 ( -4.294 0.000 -18.454) 18.947 22.354 ( 3.827 0.000 5.376) 6.599 22.416 ( -2.424 0.000 -12.517) 12.750 22.749 ( -15.616 0.000 -9.577) 18.318 22.799 ( -1.081 0.000 -1.088) 1.533 23.035 ( -7.490 0.000 9.781) 12.319 23.084 ( 2.734 0.000 -1.511) 3.123 23.209 ( -4.926 0.000 5.723) 7.551 23.350 ( 4.288 0.000 6.861) 8.091 23.465 ( 5.207 0.000 9.328) 10.683 24.462 ( -28.225 0.000 23.260) 36.574 25.402 ( 6.316 0.000 -9.009) 11.003 25.703 ( 1.024 0.000 -17.738) 17.767 25.886 ( 5.033 0.000 -19.980) 20.604 26.112 ( -1.444 0.000 -6.667) 6.822 26.175 ( 5.254 0.000 -28.422) 28.903 26.329 ( -6.488 0.000 -19.674) 20.716 26.785 ( -7.975 0.000 -13.876) 16.005 26.852 ( -13.435 0.000 -6.503) 14.926 27.499 ( 0.472 0.000 5.245) 5.266 27.835 ( 9.385 0.000 23.459) 25.267 27.928 ( 11.078 0.000 -5.909) 12.555 28.206 ( -1.850 0.000 5.188) 5.508 28.250 ( -8.432 0.000 -6.395) 10.582 28.312 ( -1.401 0.000 20.198) 20.246 28.422 ( 8.565 0.000 19.204) 21.028 29.267 ( 8.198 0.000 7.846) 11.347 29.293 ( -28.110 0.000 21.485) 35.381 29.423 ( -3.325 0.000 0.737) 3.406 29.455 ( -1.116 0.000 -3.491) 3.665 29.667 ( 1.528 0.000 7.543) 7.696 29.962 ( -3.699 0.000 10.048) 10.707 30.009 ( 0.259 0.000 8.445) 8.449 30.267 ( 4.323 0.000 16.964) 17.506 30.411 ( 5.532 0.000 -1.529) 5.740 30.782 ( 3.222 0.000 13.215) 13.602 30.843 ( 1.306 0.000 11.297) 11.372 31.273 ( -8.328 0.000 8.036) 11.573 31.748 ( -1.140 0.000 -13.026) 13.076 31.897 ( 18.996 0.000 -7.479) 20.415 32.486 ( 7.308 0.000 3.576) 8.136 32.831 ( 11.011 0.000 -3.397) 11.523 32.870 ( 3.575 0.000 -0.854) 3.675 33.141 ( -9.121 0.000 4.214) 10.048 33.377 ( 26.171 0.000 -28.594) 38.763 33.682 ( 5.812 0.000 -11.808) 13.161 34.013 ( 29.472 0.000 -18.704) 34.907 34.374 ( -2.711 0.000 10.052) 10.411 34.969 ( 8.848 0.000 -2.369) 9.160 35.213 ( -2.863 0.000 15.519) 15.781 35.982 ( -1.168 0.000 0.155) 1.178 36.215 ( -2.515 0.000 -0.571) 2.579 36.422 ( 10.381 0.000 -2.434) 10.662 37.193 ( -27.041 0.000 21.130) 34.317 39.187 ( -21.247 0.000 -22.604) 31.022 ======================= Grid point 37 (15/84) ======================= q-point: ( 0.33 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 29.179 0.000 14.405) 32.542 2.063 ( 36.565 0.000 18.038) 40.773 2.627 ( -0.808 0.000 3.833) 3.917 2.747 ( 1.500 0.000 3.724) 4.015 2.825 ( -3.478 0.000 0.985) 3.615 2.899 ( 0.158 0.000 6.133) 6.135 2.999 ( 31.791 0.000 15.060) 35.177 3.082 ( 3.242 0.000 1.645) 3.635 3.277 ( 6.281 0.000 -0.976) 6.357 3.296 ( -8.176 0.000 0.343) 8.183 3.618 ( -10.358 0.000 -5.134) 11.560 3.682 ( -5.049 0.000 -1.058) 5.158 4.475 ( 5.395 0.000 3.266) 6.307 4.495 ( 6.422 0.000 26.443) 27.211 4.943 ( -13.136 0.000 29.218) 32.035 5.183 ( -28.769 0.000 8.827) 30.093 5.490 ( 15.286 0.000 26.082) 30.231 5.641 ( 21.325 0.000 -7.494) 22.604 5.695 ( 11.432 0.000 32.528) 34.478 6.020 ( 24.939 0.000 12.806) 28.035 6.446 ( 32.276 0.000 3.956) 32.517 6.529 ( 16.575 0.000 -8.336) 18.553 6.687 ( -8.611 0.000 -10.590) 13.649 6.987 ( 16.251 0.000 10.981) 19.613 7.186 ( -10.450 0.000 -3.094) 10.899 7.257 ( -3.379 0.000 -6.650) 7.459 7.520 ( -16.993 0.000 13.090) 21.451 7.878 ( 5.731 0.000 -2.669) 6.322 7.936 ( -7.214 0.000 13.415) 15.231 8.073 ( -8.608 0.000 4.332) 9.636 8.146 ( -30.434 0.000 11.870) 32.667 8.704 ( -35.090 0.000 6.370) 35.663 8.931 ( 15.732 0.000 -2.881) 15.994 9.121 ( -12.281 0.000 0.651) 12.299 9.411 ( 16.841 0.000 -4.087) 17.330 9.547 ( -3.569 0.000 15.877) 16.273 10.214 ( 7.024 0.000 -5.411) 8.867 10.459 ( -34.866 0.000 -6.785) 35.520 10.488 ( -8.591 0.000 -1.084) 8.659 10.527 ( -18.670 0.000 3.454) 18.987 11.029 ( 14.586 0.000 -3.472) 14.994 11.420 ( 8.882 0.000 2.980) 9.369 11.500 ( -8.529 0.000 2.394) 8.858 11.852 ( -8.567 0.000 -0.846) 8.608 12.001 ( 6.962 0.000 -0.531) 6.982 12.017 ( 20.481 0.000 -0.500) 20.487 12.524 ( -11.983 0.000 -5.423) 13.153 12.726 ( -14.672 0.000 -3.228) 15.023 12.943 ( 18.382 0.000 1.119) 18.416 12.990 ( 2.469 0.000 -0.548) 2.530 13.335 ( -8.166 0.000 -4.325) 9.241 13.380 ( -5.177 0.000 2.613) 5.799 14.147 ( 6.682 0.000 -5.219) 8.478 14.320 ( 18.081 0.000 3.930) 18.503 14.350 ( -3.266 0.000 0.325) 3.283 14.548 ( 21.387 0.000 3.979) 21.754 14.556 ( 5.838 0.000 0.634) 5.872 14.704 ( -2.411 0.000 1.551) 2.867 15.359 ( -6.331 0.000 -5.819) 8.599 15.581 ( -18.930 0.000 1.322) 18.976 16.010 ( -7.465 0.000 2.611) 7.908 16.180 ( -16.370 0.000 10.625) 19.516 16.346 ( 9.105 0.000 -2.428) 9.423 16.490 ( 2.432 0.000 1.946) 3.115 16.670 ( -7.313 0.000 4.334) 8.500 17.095 ( -17.265 0.000 -3.447) 17.606 17.232 ( 18.505 0.000 -13.943) 23.170 17.488 ( 7.702 0.000 0.038) 7.702 17.875 ( 7.627 0.000 -3.005) 8.197 18.002 ( -1.156 0.000 -1.565) 1.945 18.166 ( 3.478 0.000 -9.434) 10.055 18.489 ( -12.867 0.000 -15.397) 20.065 18.567 ( 8.371 0.000 4.870) 9.685 18.651 ( 6.475 0.000 2.719) 7.023 18.873 ( -7.093 0.000 -4.369) 8.331 19.113 ( -11.891 0.000 7.129) 13.864 19.417 ( 4.442 0.000 -4.577) 6.378 19.438 ( 10.201 0.000 -0.262) 10.204 19.483 ( -1.293 0.000 -4.749) 4.921 19.859 ( -9.590 0.000 -0.641) 9.612 20.305 ( 11.160 0.000 1.943) 11.328 20.476 ( 0.663 0.000 -4.365) 4.415 20.561 ( -1.654 0.000 -1.784) 2.432 20.614 ( -1.637 0.000 -0.722) 1.789 21.227 ( 21.819 0.000 -1.235) 21.854 21.341 ( 24.063 0.000 -7.396) 25.174 21.734 ( 5.900 0.000 -9.411) 11.107 21.805 ( 12.482 0.000 -4.144) 13.152 22.031 ( -11.829 0.000 -11.796) 16.706 22.078 ( -7.529 0.000 -3.862) 8.462 22.211 ( -14.127 0.000 -18.784) 23.503 22.393 ( -14.387 0.000 -7.170) 16.075 22.642 ( 11.037 0.000 9.218) 14.380 22.782 ( -0.278 0.000 -1.457) 1.483 22.894 ( -6.827 0.000 5.780) 8.945 23.075 ( -8.613 0.000 6.236) 10.634 23.185 ( 8.648 0.000 3.229) 9.231 23.443 ( 5.339 0.000 10.295) 11.597 23.541 ( 2.019 0.000 12.303) 12.468 23.914 ( -29.287 0.000 22.308) 36.815 25.569 ( 11.317 0.000 -10.435) 15.394 25.723 ( 1.327 0.000 -15.535) 15.591 25.840 ( -4.969 0.000 -13.039) 13.954 26.013 ( -9.717 0.000 -9.643) 13.690 26.270 ( 1.510 0.000 -16.973) 17.040 26.359 ( 10.800 0.000 -29.474) 31.391 26.572 ( -12.921 0.000 -12.701) 18.118 26.685 ( -7.351 0.000 -21.713) 22.924 27.602 ( 9.061 0.000 0.316) 9.067 27.942 ( -1.877 0.000 13.665) 13.793 27.987 ( 0.409 0.000 2.511) 2.544 28.101 ( -6.090 0.000 4.724) 7.707 28.118 ( -1.062 0.000 7.471) 7.546 28.272 ( -3.083 0.000 23.351) 23.554 28.649 ( 11.056 0.000 14.543) 18.269 28.967 ( -10.555 0.000 18.848) 21.602 29.348 ( -3.761 0.000 0.377) 3.780 29.372 ( -5.342 0.000 -2.400) 5.857 29.488 ( 14.469 0.000 4.320) 15.100 29.777 ( 7.866 0.000 0.041) 7.866 29.893 ( -4.947 0.000 8.027) 9.429 29.988 ( -2.718 0.000 3.470) 4.408 30.266 ( -0.771 0.000 20.576) 20.591 30.422 ( -5.438 0.000 8.193) 9.833 30.868 ( 5.867 0.000 16.037) 17.077 31.076 ( 19.789 0.000 -0.155) 19.790 31.127 ( -7.580 0.000 13.547) 15.524 31.654 ( -8.617 0.000 -8.983) 12.448 32.273 ( 20.577 0.000 -8.108) 22.116 32.620 ( 8.060 0.000 4.300) 9.136 32.878 ( -2.672 0.000 -0.488) 2.716 32.927 ( -13.850 0.000 -1.462) 13.926 33.099 ( 16.963 0.000 -3.484) 17.317 33.593 ( 9.366 0.000 -12.961) 15.991 33.678 ( -8.355 0.000 -11.716) 14.390 34.121 ( -12.549 0.000 -13.329) 18.307 34.448 ( 12.545 0.000 15.513) 19.950 35.075 ( -12.635 0.000 12.181) 17.550 35.432 ( 30.663 0.000 -9.768) 32.181 35.988 ( 2.319 0.000 1.036) 2.540 36.149 ( -4.460 0.000 0.158) 4.463 36.340 ( -19.216 0.000 8.826) 21.146 37.214 ( 27.705 0.000 3.271) 27.898 38.627 ( -37.300 0.000 -17.250) 41.096 ======================= Grid point 38 (16/84) ======================= q-point: (-0.50 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -19.011 0.000 2.772) 19.212 2.415 ( 19.011 0.000 2.772) 19.212 2.614 ( -20.905 0.000 6.686) 21.948 2.614 ( 20.905 0.000 6.686) 21.948 2.833 ( -4.772 0.000 7.799) 9.143 2.833 ( 4.772 0.000 7.799) 9.143 3.152 ( -6.453 0.000 -0.020) 6.453 3.152 ( 6.453 0.000 -0.020) 6.453 3.427 ( -9.697 0.000 -2.567) 10.032 3.427 ( 9.697 0.000 -2.567) 10.032 3.495 ( -16.880 0.000 3.707) 17.282 3.495 ( 16.880 0.000 3.707) 17.282 4.677 ( -13.353 0.000 30.802) 33.572 4.677 ( 13.353 0.000 30.802) 33.572 4.695 ( -19.787 0.000 7.632) 21.208 4.695 ( 19.787 0.000 7.632) 21.208 5.741 ( -7.784 0.000 29.672) 30.676 5.741 ( 7.784 0.000 29.672) 30.676 6.056 ( -19.524 0.000 -5.692) 20.336 6.056 ( 19.524 0.000 -5.692) 20.336 6.756 ( -1.118 0.000 -9.863) 9.926 6.756 ( 1.118 0.000 -9.863) 9.926 6.936 ( -23.178 0.000 -5.308) 23.778 6.936 ( 23.178 0.000 -5.308) 23.778 7.151 ( -13.639 0.000 -4.330) 14.310 7.151 ( 13.639 0.000 -4.330) 14.310 7.697 ( -30.096 0.000 21.084) 36.747 7.697 ( 30.096 0.000 21.084) 36.747 7.764 ( -2.024 0.000 26.445) 26.523 7.764 ( 2.024 0.000 26.445) 26.523 8.139 ( -20.446 0.000 2.331) 20.578 8.139 ( 20.446 0.000 2.331) 20.578 8.987 ( -1.615 0.000 -5.027) 5.280 8.987 ( 1.615 0.000 -5.027) 5.280 9.835 ( -29.099 0.000 -7.002) 29.929 9.835 ( 29.099 0.000 -7.002) 29.929 9.893 ( -30.980 0.000 10.446) 32.694 9.893 ( 30.980 0.000 10.446) 32.694 10.429 ( -8.295 0.000 -5.038) 9.704 10.429 ( 8.295 0.000 -5.038) 9.704 11.301 ( -13.103 0.000 -0.412) 13.110 11.301 ( 13.103 0.000 -0.412) 13.110 11.631 ( -12.818 0.000 0.715) 12.838 11.631 ( 12.818 0.000 0.715) 12.838 12.248 ( -16.198 0.000 -3.000) 16.474 12.248 ( 16.198 0.000 -3.000) 16.474 12.397 ( -19.921 0.000 -0.949) 19.943 12.397 ( 19.921 0.000 -0.949) 19.943 13.137 ( -11.318 0.000 -5.018) 12.380 13.137 ( 11.318 0.000 -5.018) 12.380 13.228 ( -11.710 0.000 2.281) 11.930 13.228 ( 11.710 0.000 2.281) 11.930 14.265 ( -5.766 0.000 -4.115) 7.084 14.265 ( 5.766 0.000 -4.115) 7.084 14.646 ( -3.908 0.000 1.469) 4.175 14.646 ( 3.908 0.000 1.469) 4.175 14.652 ( -12.397 0.000 4.105) 13.059 14.652 ( 12.397 0.000 4.105) 13.059 15.329 ( -7.664 0.000 -2.067) 7.938 15.329 ( 7.664 0.000 -2.067) 7.938 15.974 ( -4.717 0.000 7.946) 9.240 15.974 ( 4.717 0.000 7.946) 9.240 16.462 ( -5.225 0.000 5.438) 7.542 16.462 ( 5.225 0.000 5.438) 7.542 16.774 ( -15.973 0.000 -4.748) 16.664 16.774 ( 15.973 0.000 -4.748) 16.664 17.493 ( -8.008 0.000 -7.712) 11.118 17.493 ( 8.008 0.000 -7.712) 11.118 17.970 ( -2.906 0.000 -2.040) 3.551 17.970 ( 2.906 0.000 -2.040) 3.551 18.266 ( -9.541 0.000 -14.266) 17.162 18.266 ( 9.541 0.000 -14.266) 17.162 18.726 ( -8.595 0.000 0.054) 8.595 18.726 ( 8.595 0.000 0.054) 8.595 18.858 ( -13.810 0.000 7.609) 15.768 18.858 ( 13.810 0.000 7.609) 15.768 19.472 ( -1.426 0.000 -3.959) 4.208 19.472 ( 1.426 0.000 -3.959) 4.208 19.654 ( -12.089 0.000 -0.951) 12.127 19.654 ( 12.089 0.000 -0.951) 12.127 20.503 ( -9.257 0.000 -1.349) 9.355 20.503 ( 9.257 0.000 -1.349) 9.355 20.515 ( -2.805 0.000 -2.964) 4.081 20.515 ( 2.805 0.000 -2.964) 4.081 21.641 ( -19.646 0.000 -9.306) 21.739 21.641 ( 19.646 0.000 -9.306) 21.739 21.801 ( -22.883 0.000 -9.675) 24.844 21.801 ( 22.883 0.000 -9.675) 24.844 21.939 ( -6.028 0.000 -2.734) 6.619 21.939 ( 6.028 0.000 -2.734) 6.619 22.105 ( -13.523 0.000 -11.286) 17.614 22.105 ( 13.523 0.000 -11.286) 17.614 22.803 ( -2.867 0.000 0.783) 2.972 22.803 ( 2.867 0.000 0.783) 2.972 22.884 ( -12.278 0.000 7.645) 14.464 22.884 ( 12.278 0.000 7.645) 14.464 23.445 ( -20.086 0.000 14.202) 24.600 23.445 ( 20.086 0.000 14.202) 24.600 23.528 ( -3.182 0.000 12.623) 13.017 23.528 ( 3.182 0.000 12.623) 13.017 25.762 ( -3.159 0.000 -13.890) 14.245 25.762 ( 3.159 0.000 -13.890) 14.245 25.797 ( -12.666 0.000 -11.369) 17.020 25.797 ( 12.666 0.000 -11.369) 17.020 26.367 ( -8.514 0.000 -14.129) 16.495 26.367 ( 8.514 0.000 -14.129) 16.495 26.540 ( -8.679 0.000 -26.291) 27.686 26.540 ( 8.679 0.000 -26.291) 27.686 27.790 ( -10.579 0.000 0.201) 10.580 27.790 ( 10.579 0.000 0.201) 10.580 28.015 ( -3.094 0.000 4.089) 5.127 28.015 ( 3.094 0.000 4.089) 5.127 28.194 ( -5.304 0.000 23.070) 23.672 28.194 ( 5.304 0.000 23.070) 23.672 28.813 ( -7.569 0.000 16.529) 18.180 28.813 ( 7.569 0.000 16.529) 18.180 29.313 ( -0.572 0.000 -1.809) 1.897 29.313 ( 0.572 0.000 -1.809) 1.897 29.744 ( -11.645 0.000 3.879) 12.274 29.744 ( 11.645 0.000 3.879) 12.274 29.908 ( -5.902 0.000 0.193) 5.905 29.908 ( 5.902 0.000 0.193) 5.905 30.304 ( -5.184 0.000 17.528) 18.279 30.304 ( 5.184 0.000 17.528) 18.279 30.990 ( -7.178 0.000 16.137) 17.661 30.990 ( 7.178 0.000 16.137) 17.661 31.425 ( -16.213 0.000 -5.872) 17.244 31.425 ( 16.213 0.000 -5.872) 17.244 32.632 ( -17.917 0.000 -5.560) 18.760 32.632 ( 17.917 0.000 -5.560) 18.760 32.774 ( -7.876 0.000 1.035) 7.944 32.774 ( 7.876 0.000 1.035) 7.944 33.423 ( -17.064 0.000 -6.062) 18.109 33.423 ( 17.064 0.000 -6.062) 18.109 33.830 ( -15.846 0.000 -8.889) 18.169 33.830 ( 15.846 0.000 -8.889) 18.169 34.768 ( -19.149 0.000 12.441) 22.836 34.768 ( 19.149 0.000 12.441) 22.836 35.932 ( -23.981 0.000 1.904) 24.056 35.932 ( 23.981 0.000 1.904) 24.056 36.060 ( -4.855 0.000 0.936) 4.944 36.060 ( 4.855 0.000 0.936) 4.944 37.886 ( -40.800 0.000 -9.818) 41.965 37.886 ( 40.800 0.000 -9.818) 41.965 ======================= Grid point 42 (17/84) ======================= q-point: ( 0.00 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 0.000 30.816 31.001) 43.712 1.361 ( 0.000 34.500 32.434) 47.353 2.095 ( 0.000 44.842 51.716) 68.450 2.550 ( 0.000 -0.441 3.898) 3.923 2.722 ( 0.000 -3.680 2.312) 4.346 2.851 ( 0.000 3.295 3.312) 4.672 2.993 ( 0.000 -6.588 -0.697) 6.625 3.039 ( 0.000 -1.065 4.724) 4.843 3.126 ( 0.000 -3.475 3.133) 4.678 3.511 ( 0.000 2.044 -2.838) 3.497 3.717 ( 0.000 -2.907 -3.098) 4.248 3.794 ( 0.000 -8.258 -8.609) 11.930 4.259 ( 0.000 -2.076 10.114) 10.324 4.451 ( 0.000 1.383 13.834) 13.903 4.826 ( 0.000 -23.583 25.133) 34.465 4.879 ( 0.000 -6.926 15.712) 17.171 5.125 ( 0.000 -10.636 32.996) 34.667 5.319 ( 0.000 -6.761 10.457) 12.453 5.532 ( 0.000 22.326 12.641) 25.656 5.778 ( 0.000 10.575 17.687) 20.607 6.376 ( 0.000 10.058 -5.596) 11.510 6.412 ( 0.000 23.922 -3.049) 24.116 6.620 ( 0.000 -9.599 12.753) 15.962 6.943 ( 0.000 1.638 -10.341) 10.470 7.348 ( 0.000 -26.514 -7.843) 27.650 7.478 ( 0.000 -10.315 -6.296) 12.085 7.494 ( 0.000 -11.466 4.372) 12.271 7.743 ( 0.000 4.778 16.963) 17.623 7.804 ( 0.000 -14.316 -0.355) 14.320 8.412 ( 0.000 -3.572 10.491) 11.083 8.445 ( 0.000 12.960 0.601) 12.974 8.834 ( 0.000 -2.063 -4.699) 5.132 9.093 ( 0.000 13.937 -6.784) 15.500 9.437 ( 0.000 1.555 3.998) 4.290 9.808 ( 0.000 -1.450 2.540) 2.925 9.863 ( 0.000 -3.875 1.712) 4.236 9.977 ( 0.000 12.364 4.115) 13.031 10.321 ( 0.000 4.779 -0.743) 4.836 10.637 ( 0.000 12.334 -2.855) 12.660 11.164 ( 0.000 -4.015 2.763) 4.874 11.296 ( 0.000 -10.917 -2.367) 11.171 11.503 ( 0.000 -0.689 -3.344) 3.414 11.615 ( 0.000 0.433 3.097) 3.127 11.668 ( 0.000 -10.743 3.181) 11.204 11.777 ( 0.000 0.219 8.779) 8.781 11.992 ( 0.000 -1.439 -4.426) 4.654 12.512 ( 0.000 20.533 -1.930) 20.624 12.644 ( 0.000 -18.406 -8.523) 20.284 12.854 ( 0.000 -21.477 7.708) 22.818 13.201 ( 0.000 -1.492 0.850) 1.718 13.335 ( 0.000 -3.001 -0.363) 3.023 13.601 ( 0.000 14.724 -5.596) 15.752 13.774 ( 0.000 22.270 3.172) 22.495 14.011 ( 0.000 0.361 0.552) 0.659 14.060 ( 0.000 0.544 4.569) 4.601 14.287 ( 0.000 -8.180 2.842) 8.659 14.475 ( 0.000 -19.207 2.485) 19.367 14.812 ( 0.000 32.018 0.527) 32.022 15.634 ( 0.000 13.593 4.220) 14.233 15.908 ( 0.000 -20.703 -5.579) 21.441 16.307 ( 0.000 9.442 -3.479) 10.063 16.334 ( 0.000 -11.510 -5.026) 12.560 16.490 ( 0.000 -5.158 -10.180) 11.412 16.498 ( 0.000 9.800 -11.677) 15.244 16.827 ( 0.000 -8.387 6.305) 10.492 16.900 ( 0.000 3.095 3.592) 4.741 17.151 ( 0.000 5.115 10.020) 11.250 17.318 ( 0.000 -7.924 -3.216) 8.552 17.642 ( 0.000 -3.641 7.135) 8.011 17.894 ( 0.000 0.783 8.031) 8.069 17.969 ( 0.000 -11.743 0.807) 11.771 18.357 ( 0.000 10.011 -6.737) 12.067 18.591 ( 0.000 -15.733 0.807) 15.753 18.924 ( 0.000 -6.902 -13.949) 15.563 19.008 ( 0.000 8.171 -17.749) 19.539 19.122 ( 0.000 1.854 -8.312) 8.516 19.297 ( 0.000 3.263 -4.879) 5.870 19.577 ( 0.000 9.989 -14.025) 17.218 19.919 ( 0.000 -2.491 -0.678) 2.582 19.965 ( 0.000 0.803 5.374) 5.434 20.096 ( 0.000 3.038 3.748) 4.824 20.245 ( 0.000 -1.594 3.957) 4.266 20.418 ( 0.000 2.469 7.217) 7.627 20.658 ( 0.000 1.658 -4.007) 4.337 20.742 ( 0.000 -6.116 4.224) 7.433 20.916 ( 0.000 -3.159 -1.483) 3.490 21.546 ( 0.000 -1.084 -1.464) 1.821 21.620 ( 0.000 4.023 -10.234) 10.996 22.213 ( 0.000 -2.096 1.948) 2.861 22.248 ( 0.000 1.355 -18.284) 18.334 22.417 ( 0.000 11.865 5.324) 13.004 22.444 ( 0.000 -1.011 -21.987) 22.010 22.684 ( 0.000 -11.647 -2.851) 11.990 23.046 ( 0.000 0.652 -3.703) 3.760 23.051 ( 0.000 2.396 -9.097) 9.407 23.134 ( 0.000 1.042 12.016) 12.062 23.196 ( 0.000 -5.431 5.367) 7.635 23.263 ( 0.000 -3.399 5.846) 6.762 23.418 ( 0.000 1.814 8.838) 9.022 24.049 ( 0.000 -42.995 54.174) 69.162 25.469 ( 0.000 3.948 -25.077) 25.385 25.646 ( 0.000 -2.486 -18.151) 18.321 25.756 ( 0.000 3.582 -17.857) 18.213 25.967 ( 0.000 -12.697 -22.076) 25.467 26.271 ( 0.000 15.959 -6.961) 17.411 26.653 ( 0.000 -19.632 25.122) 31.883 26.674 ( 0.000 16.436 -20.178) 26.025 26.916 ( 0.000 6.528 -12.774) 14.346 27.341 ( 0.000 -13.763 -5.555) 14.842 27.428 ( 0.000 -8.034 -3.069) 8.600 27.762 ( 0.000 6.851 24.187) 25.138 28.170 ( 0.000 -5.236 21.291) 21.926 28.287 ( 0.000 -1.437 12.904) 12.984 28.375 ( 0.000 -1.856 -15.310) 15.422 28.467 ( 0.000 6.250 16.574) 17.713 28.884 ( 0.000 -12.072 26.861) 29.449 29.289 ( 0.000 0.238 17.100) 17.102 29.302 ( 0.000 -9.903 5.217) 11.193 29.623 ( 0.000 -4.625 15.400) 16.080 29.854 ( 0.000 2.181 1.394) 2.589 29.898 ( 0.000 -8.307 14.077) 16.345 30.073 ( 0.000 -18.875 1.111) 18.907 30.128 ( 0.000 1.798 2.430) 3.023 30.301 ( 0.000 -2.000 13.824) 13.968 31.127 ( 0.000 23.016 -4.601) 23.472 31.138 ( 0.000 6.358 -18.132) 19.214 31.409 ( 0.000 3.273 5.217) 6.159 31.761 ( 0.000 9.551 -5.177) 10.864 32.127 ( 0.000 -2.232 9.668) 9.922 32.280 ( 0.000 23.290 -34.341) 41.494 32.644 ( 0.000 4.098 24.864) 25.199 32.758 ( 0.000 3.473 -3.137) 4.680 32.908 ( 0.000 0.101 2.555) 2.557 33.179 ( 0.000 -6.468 10.591) 12.410 33.629 ( 0.000 2.633 -11.145) 11.451 33.730 ( 0.000 -1.525 -4.815) 5.051 34.454 ( 0.000 3.425 4.467) 5.629 34.854 ( 0.000 -9.093 -0.145) 9.094 35.357 ( 0.000 11.673 16.480) 20.195 36.049 ( 0.000 4.969 -0.762) 5.027 36.092 ( 0.000 -10.453 11.657) 15.657 36.285 ( 0.000 -1.443 -1.479) 2.067 38.444 ( 0.000 47.281 -56.776) 73.885 39.339 ( 0.000 -3.805 -24.655) 24.947 ======================= Grid point 43 (18/84) ======================= q-point: ( 0.17 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 24.993 20.913 25.812) 41.573 1.640 ( 23.842 24.776 23.860) 41.852 2.489 ( 35.170 33.453 34.200) 59.377 2.587 ( 4.069 -0.393 3.475) 5.365 2.737 ( 1.299 -2.830 2.211) 3.819 2.859 ( 1.220 3.360 3.937) 5.318 2.971 ( -2.843 -4.279 0.193) 5.141 3.032 ( -0.589 -2.304 3.766) 4.454 3.128 ( 0.512 -5.768 1.837) 6.075 3.458 ( -4.798 2.508 -1.312) 5.571 3.700 ( -2.583 -3.567 -2.587) 5.107 3.730 ( -5.418 -6.174 -5.802) 10.057 4.391 ( 8.205 0.747 15.110) 17.210 4.527 ( 6.949 6.802 5.140) 10.999 4.853 ( 5.525 -16.534 22.099) 28.147 5.049 ( 16.945 -10.193 18.313) 26.952 5.233 ( 5.435 -4.977 29.770) 30.668 5.465 ( 17.478 -3.199 8.612) 19.745 5.675 ( 19.043 7.346 20.530) 28.949 5.755 ( -7.265 3.058 17.442) 19.140 6.084 ( -16.556 15.266 7.808) 23.835 6.399 ( 2.477 8.272 -5.187) 10.073 6.809 ( 8.423 0.458 0.832) 8.477 6.870 ( -4.910 0.563 -7.866) 9.290 7.208 ( -10.165 -18.244 -6.466) 21.863 7.348 ( -8.662 -6.747 0.272) 10.983 7.581 ( 3.772 -14.955 2.620) 15.644 7.724 ( -1.172 3.669 13.972) 14.493 7.921 ( 5.294 -14.832 -1.202) 15.794 8.221 ( -11.254 0.576 -1.648) 11.388 8.653 ( 13.328 11.546 4.944) 18.314 8.787 ( -17.397 10.276 3.061) 20.436 8.993 ( 8.469 0.216 -5.040) 9.857 9.451 ( -20.281 -4.996 7.672) 22.252 9.556 ( -15.416 12.934 2.402) 20.266 9.673 ( 1.960 8.785 4.963) 10.279 10.150 ( 4.486 -0.442 -5.583) 7.176 10.426 ( -2.339 -2.745 3.238) 4.847 10.656 ( 6.168 5.745 -5.217) 9.913 10.969 ( -19.490 -2.082 3.613) 19.931 11.172 ( -13.071 1.937 -2.883) 13.525 11.378 ( -7.744 -14.620 6.051) 17.616 11.472 ( -12.009 6.195 0.613) 13.526 11.677 ( 0.932 -14.477 1.403) 14.575 11.728 ( 10.568 1.610 -0.824) 10.722 12.337 ( 9.964 10.391 -2.935) 14.692 12.462 ( -0.526 0.735 -2.714) 2.861 12.544 ( -3.487 -11.741 -2.392) 12.479 12.859 ( 2.953 -13.396 2.489) 13.941 13.087 ( -10.258 0.744 0.360) 10.291 13.367 ( 1.158 -2.176 1.352) 2.812 13.670 ( 0.222 18.939 -4.825) 19.545 13.862 ( 9.247 2.294 -0.342) 9.533 14.072 ( 5.697 -1.718 0.886) 6.016 14.144 ( 10.387 4.047 4.808) 12.140 14.321 ( 3.230 -7.472 1.830) 8.344 14.491 ( 0.924 -17.546 1.695) 17.652 14.863 ( 5.743 32.103 0.534) 32.617 15.586 ( -3.866 11.273 2.148) 12.110 15.954 ( 2.553 -18.990 -6.478) 20.227 16.081 ( -18.110 10.763 -5.450) 21.760 16.219 ( -4.854 -5.194 -2.065) 7.403 16.413 ( -5.196 -3.854 0.897) 6.531 16.596 ( -11.852 1.516 6.630) 13.664 16.781 ( 7.442 4.907 -4.219) 9.862 16.926 ( 2.085 -0.121 -3.873) 4.400 17.242 ( 9.219 -4.291 3.922) 10.899 17.297 ( -5.886 -6.543 0.006) 8.801 17.697 ( 7.297 -1.836 0.585) 7.547 17.883 ( 2.846 -4.544 0.383) 5.375 18.111 ( 9.605 -3.334 5.534) 11.576 18.343 ( -0.805 0.818 -7.699) 7.784 18.629 ( 0.807 -7.951 3.493) 8.722 18.820 ( -5.382 8.555 -18.543) 21.118 19.015 ( -2.554 -3.159 -9.325) 10.171 19.129 ( 1.924 1.942 -7.138) 7.644 19.271 ( -2.029 0.905 -7.094) 7.433 19.559 ( 0.883 10.917 -3.932) 11.638 19.656 ( -17.626 3.126 7.798) 19.525 19.947 ( -4.089 -3.210 -2.073) 5.596 20.159 ( 6.668 2.435 1.000) 7.169 20.419 ( 8.712 -5.804 -0.942) 10.511 20.557 ( 0.301 4.127 4.183) 5.884 20.605 ( 9.974 5.526 4.139) 12.130 20.841 ( 7.922 -7.279 -2.632) 11.075 20.986 ( 10.276 -3.254 -0.020) 10.779 21.605 ( 6.607 -0.216 -4.169) 7.815 21.668 ( 4.617 3.890 -10.025) 11.703 22.171 ( -4.318 -1.559 1.208) 4.747 22.220 ( -4.398 2.282 -20.976) 21.553 22.359 ( -5.763 -1.625 -11.573) 13.030 22.485 ( 5.073 9.855 4.031) 11.794 22.601 ( -8.531 -10.498 -8.251) 15.845 22.905 ( -6.382 6.183 -3.158) 9.430 23.034 ( -5.624 -0.810 5.266) 7.747 23.087 ( 0.503 0.809 3.675) 3.796 23.182 ( -4.533 -2.875 4.199) 6.815 23.299 ( 4.383 -5.508 7.657) 10.401 23.484 ( 5.292 2.280 11.429) 12.799 24.118 ( -5.261 -27.349 32.910) 43.113 25.446 ( 1.667 4.035 -16.442) 17.012 25.767 ( 0.630 2.147 -16.859) 17.007 25.844 ( 9.258 -2.775 -24.292) 26.144 25.991 ( 7.416 -11.302 -24.109) 27.640 26.261 ( -1.252 14.147 -7.207) 15.927 26.460 ( -9.938 0.244 -8.297) 12.948 26.681 ( -4.756 -0.265 -8.812) 10.017 26.837 ( -9.459 2.775 -10.575) 14.457 27.427 ( 7.168 -8.810 1.722) 11.487 27.600 ( 14.330 -17.521 -9.835) 24.679 27.843 ( 6.693 3.488 24.030) 25.187 28.185 ( 0.423 -5.532 18.081) 18.913 28.237 ( -7.300 0.218 4.072) 8.362 28.339 ( 1.714 -6.394 1.482) 6.784 28.400 ( -5.304 5.747 13.858) 15.913 28.877 ( -0.937 -12.450 25.506) 28.398 29.251 ( -3.843 -6.666 10.199) 12.776 29.349 ( 1.023 -1.984 13.286) 13.472 29.563 ( -4.950 -5.289 4.789) 8.684 29.755 ( -3.437 7.079 -1.302) 7.977 29.966 ( 3.044 -2.450 9.213) 10.008 30.037 ( -4.167 4.397 7.584) 9.706 30.070 ( -0.447 -25.189 6.430) 26.000 30.272 ( -1.724 -2.785 15.432) 15.776 31.064 ( 4.021 23.277 -3.779) 23.922 31.215 ( 1.663 19.027 0.856) 19.119 31.372 ( -3.015 10.735 8.174) 13.825 31.876 ( 2.174 9.629 -6.739) 11.952 31.940 ( 3.901 4.016 -4.334) 7.080 32.467 ( 5.119 -1.670 0.308) 5.393 32.745 ( 2.260 -9.243 4.187) 10.396 32.886 ( 11.253 3.324 -3.320) 12.194 33.081 ( -9.250 -6.834 5.534) 12.763 33.245 ( 21.978 -9.535 -13.529) 27.513 33.719 ( 6.736 3.783 -11.816) 14.118 33.967 ( 22.440 -3.550 -12.063) 25.723 34.411 ( -2.254 3.658 9.840) 10.737 34.815 ( 1.912 -10.790 6.903) 12.951 35.340 ( -2.836 12.424 14.031) 18.954 35.991 ( -3.485 -1.477 2.318) 4.438 36.176 ( 1.894 -0.173 3.945) 4.379 36.440 ( 19.989 -2.691 -2.304) 20.301 37.898 ( -44.311 51.253 -24.609) 72.083 39.131 ( -22.902 -6.158 -23.661) 33.500 ======================= Grid point 44 (19/84) ======================= q-point: ( 0.33 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 27.373 11.384 13.357) 32.515 2.109 ( 27.849 9.458 13.352) 32.301 2.663 ( 0.586 2.293 2.325) 3.317 2.753 ( 0.835 -0.312 2.405) 2.565 2.818 ( -1.977 -0.439 2.834) 3.483 2.883 ( -4.499 -2.025 3.684) 6.158 3.002 ( 0.773 -6.550 2.627) 7.100 3.123 ( -1.620 -9.078 1.071) 9.284 3.184 ( 24.624 14.200 11.377) 30.618 3.383 ( -1.565 4.060 0.079) 4.352 3.589 ( -7.064 -2.369 -3.234) 8.122 3.658 ( -3.860 -2.769 -0.647) 4.794 4.520 ( 7.501 5.916 22.921) 24.832 4.622 ( 4.738 11.055 9.230) 15.161 4.956 ( -1.265 3.393 20.771) 21.084 5.271 ( -9.652 2.813 16.877) 19.645 5.435 ( 11.366 -9.714 21.229) 25.966 5.469 ( 5.916 -0.945 23.619) 24.367 5.876 ( 19.432 12.035 6.085) 23.653 6.010 ( 9.654 -1.505 12.564) 15.916 6.138 ( 16.884 -24.122 10.340) 31.207 6.554 ( 12.228 1.147 -10.942) 16.449 6.772 ( 8.167 3.931 -8.700) 12.564 7.002 ( 0.789 -6.918 -1.631) 7.152 7.075 ( 3.525 -11.114 1.712) 11.785 7.245 ( -1.130 4.979 0.857) 5.177 7.525 ( -10.524 -0.826 9.043) 13.900 7.680 ( -4.506 -4.425 11.898) 13.471 7.952 ( -0.630 -3.442 -0.150) 3.502 8.035 ( -8.541 -7.742 2.378) 11.770 8.345 ( -21.654 16.514 9.409) 28.813 8.758 ( -30.692 4.080 8.133) 32.013 9.045 ( 15.433 9.245 0.245) 17.992 9.225 ( -8.459 8.354 2.756) 12.204 9.453 ( 3.691 7.112 -3.490) 8.740 9.572 ( 0.349 4.022 11.302) 12.001 10.163 ( 0.171 -5.844 -2.142) 6.227 10.311 ( -14.717 -10.511 -8.601) 20.027 10.507 ( -26.430 -1.249 5.009) 26.929 10.553 ( -13.487 0.486 -0.389) 13.502 11.096 ( 6.011 6.571 -4.709) 10.074 11.287 ( -3.922 -11.727 0.587) 12.379 11.462 ( 10.940 2.097 2.575) 11.433 11.707 ( 3.588 -17.061 0.460) 17.440 12.018 ( 16.046 -1.467 -1.344) 16.169 12.198 ( -12.913 21.120 0.017) 24.754 12.314 ( -8.463 -17.332 -6.461) 20.341 12.797 ( -15.694 3.318 -1.218) 16.087 12.811 ( 16.817 -5.362 1.594) 17.723 13.077 ( 14.583 -2.432 -0.379) 14.789 13.326 ( -6.745 0.653 1.623) 6.968 13.569 ( -9.143 14.632 -3.594) 17.624 14.018 ( 6.778 -7.747 -4.267) 11.143 14.161 ( 1.679 -9.301 0.105) 9.452 14.382 ( 4.364 -9.056 -0.082) 10.053 14.395 ( 9.026 -10.148 2.201) 13.758 14.540 ( 9.632 6.656 3.275) 12.158 14.981 ( 3.574 25.055 1.355) 25.345 15.534 ( -1.148 12.872 -1.063) 12.967 15.744 ( -16.216 15.574 -1.446) 22.530 15.921 ( -3.453 -11.507 -2.293) 12.231 16.157 ( -13.428 -6.371 8.136) 16.944 16.326 ( 10.213 -2.969 -1.408) 10.729 16.510 ( -0.191 5.734 3.555) 6.749 16.692 ( -8.016 7.357 6.963) 12.918 16.930 ( -12.110 -14.094 -6.012) 19.530 17.300 ( 9.778 1.692 -6.449) 11.834 17.405 ( 6.824 -9.292 0.068) 11.529 17.846 ( 7.387 -2.831 -3.119) 8.504 17.961 ( 4.082 0.031 -3.368) 5.292 18.228 ( 2.078 2.394 -5.854) 6.657 18.360 ( -0.076 -9.309 -3.538) 9.959 18.576 ( -0.087 5.209 -10.711) 11.911 18.785 ( 0.004 6.308 2.001) 6.618 18.994 ( -2.503 11.368 -7.374) 13.780 19.161 ( -2.241 0.765 1.541) 2.825 19.206 ( -0.510 -8.647 -6.277) 10.697 19.422 ( -5.852 -4.303 1.600) 7.438 19.598 ( 2.697 4.845 1.098) 5.652 19.822 ( -8.628 -3.853 -0.380) 9.456 20.329 ( 10.516 3.400 -4.971) 12.119 20.495 ( 2.543 -0.768 -1.601) 3.102 20.564 ( 0.412 4.570 0.998) 4.696 20.683 ( -2.417 4.662 0.990) 5.343 21.170 ( 24.858 -4.834 -0.503) 25.328 21.302 ( 22.075 -4.470 -4.431) 22.954 21.764 ( 5.085 1.027 -9.122) 10.494 21.776 ( 9.929 -0.471 -6.208) 11.720 22.052 ( -9.680 1.480 -7.749) 12.487 22.075 ( -9.072 0.087 -8.075) 12.146 22.183 ( -13.559 -2.611 -17.191) 22.050 22.348 ( -15.434 -5.509 -9.244) 18.815 22.675 ( 11.890 4.996 9.077) 15.770 22.835 ( -1.885 4.664 -2.460) 5.600 22.915 ( -5.548 1.697 3.961) 7.025 23.058 ( -7.306 -1.885 4.567) 8.820 23.171 ( 7.857 -0.953 4.814) 9.264 23.403 ( 6.430 -4.489 11.169) 13.647 23.548 ( 0.424 0.878 13.801) 13.836 23.824 ( -21.897 -8.387 23.315) 33.066 25.537 ( 6.900 1.242 -15.765) 17.254 25.747 ( -3.133 -1.677 -16.643) 17.018 25.912 ( 3.786 8.913 -15.887) 18.606 26.157 ( -2.933 9.638 -8.127) 12.943 26.253 ( 7.801 -7.272 -24.794) 26.991 26.360 ( -0.145 4.035 -17.438) 17.900 26.563 ( -7.703 -3.436 -13.622) 16.022 26.623 ( -11.440 1.421 -12.749) 17.188 27.581 ( 8.541 -3.445 -2.379) 9.512 27.765 ( 2.330 -15.336 -6.626) 16.868 27.949 ( 4.460 -0.596 18.124) 18.675 28.086 ( -6.471 1.695 -0.235) 6.693 28.177 ( 0.017 -3.773 17.755) 18.151 28.306 ( -4.947 5.320 16.163) 17.721 28.487 ( 11.401 -15.211 9.993) 21.476 28.826 ( -5.171 -12.266 20.317) 24.289 29.170 ( -3.078 -5.949 6.050) 9.026 29.258 ( -7.084 -1.245 11.724) 13.754 29.602 ( 7.511 -6.351 -1.098) 9.898 29.794 ( 4.782 5.480 -0.114) 7.274 29.919 ( -5.962 -9.832 2.336) 11.733 29.975 ( -3.370 5.775 8.928) 11.154 30.117 ( 3.957 -13.700 16.770) 22.013 30.248 ( -1.789 -6.577 16.519) 17.870 31.193 ( 4.742 23.193 5.936) 24.406 31.258 ( 3.389 16.392 6.627) 18.003 31.340 ( 3.167 18.719 4.648) 19.546 31.749 ( -9.369 8.974 -5.730) 14.183 32.232 ( 18.573 -4.102 -6.743) 20.181 32.561 ( 5.507 -5.863 3.323) 8.703 32.743 ( -2.393 -12.445 1.884) 12.812 32.863 ( -13.980 -7.140 0.045) 15.698 33.152 ( 16.670 4.758 -3.842) 17.756 33.519 ( 12.676 -6.889 -10.326) 17.741 33.721 ( -8.380 4.438 -11.697) 15.058 34.068 ( -11.187 -5.175 -12.700) 17.698 34.517 ( 15.230 7.053 15.167) 22.622 35.147 ( 20.865 -13.369 6.561) 25.634 35.210 ( -5.282 7.482 10.045) 13.594 35.888 ( -9.087 -9.271 4.686) 13.802 36.245 ( 8.360 13.653 -0.434) 16.015 36.848 ( 5.963 22.009 -13.906) 26.708 37.259 ( -5.909 15.510 1.412) 16.658 38.544 ( -38.460 -9.234 -17.796) 43.372 ======================= Grid point 45 (20/84) ======================= q-point: (-0.50 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -15.517 7.100 2.016) 17.183 2.486 ( 15.517 7.100 2.016) 17.183 2.601 ( -19.180 -0.199 6.494) 20.251 2.601 ( 19.180 -0.199 6.494) 20.251 2.836 ( -2.691 -0.456 6.072) 6.657 2.836 ( 2.691 -0.456 6.072) 6.657 3.037 ( -4.642 -11.161 1.149) 12.142 3.037 ( 4.642 -11.161 1.149) 12.142 3.415 ( -2.300 1.946 -0.244) 3.023 3.415 ( 2.300 1.946 -0.244) 3.023 3.559 ( -6.667 2.423 0.701) 7.128 3.559 ( 6.667 2.423 0.701) 7.128 4.672 ( -5.756 6.903 24.867) 26.442 4.672 ( 5.756 6.903 24.867) 26.442 4.939 ( -11.156 17.926 12.713) 24.646 4.939 ( 11.156 17.926 12.713) 24.646 5.649 ( -5.735 -10.236 29.648) 31.885 5.649 ( 5.735 -10.236 29.648) 31.885 5.980 ( -8.556 -9.450 1.506) 12.836 5.980 ( 8.556 -9.450 1.506) 12.836 6.605 ( -18.604 -5.288 -10.218) 21.874 6.605 ( 18.604 -5.288 -10.218) 21.874 6.971 ( -6.803 -5.719 -7.585) 11.684 6.971 ( 6.803 -5.719 -7.585) 11.684 7.183 ( -8.810 4.556 -4.392) 10.848 7.183 ( 8.810 4.556 -4.392) 10.848 7.531 ( -7.313 -9.343 18.701) 22.147 7.531 ( 7.313 -9.343 18.701) 22.147 7.910 ( -11.250 11.323 23.241) 28.195 7.910 ( 11.250 11.323 23.241) 28.195 8.241 ( -19.013 5.955 4.497) 20.425 8.241 ( 19.013 5.955 4.497) 20.425 9.098 ( -1.818 11.470 -4.171) 12.339 9.098 ( 1.818 11.470 -4.171) 12.339 9.728 ( -25.499 -7.733 -0.339) 26.648 9.728 ( 25.499 -7.733 -0.339) 26.648 9.973 ( -26.824 4.963 4.238) 27.606 9.973 ( 26.824 4.963 4.238) 27.606 10.381 ( -8.870 -5.399 -3.098) 10.836 10.381 ( 8.870 -5.399 -3.098) 10.836 11.207 ( -5.051 -5.699 -3.003) 8.187 11.207 ( 5.051 -5.699 -3.003) 8.187 11.707 ( -9.440 -1.687 1.479) 9.703 11.707 ( 9.440 -1.687 1.479) 9.703 12.055 ( -2.812 -5.777 -3.448) 7.292 12.055 ( 2.812 -5.777 -3.448) 7.292 12.463 ( -18.854 1.886 -0.203) 18.949 12.463 ( 18.854 1.886 -0.203) 18.949 13.108 ( -15.032 -0.776 0.074) 15.053 13.108 ( 15.032 -0.776 0.074) 15.053 13.363 ( -13.515 7.618 -1.829) 15.621 13.363 ( 13.515 7.618 -1.829) 15.621 14.123 ( -4.595 -11.289 -3.817) 12.772 14.123 ( 4.595 -11.289 -3.817) 12.772 14.432 ( -1.383 -14.276 0.639) 14.357 14.432 ( 1.383 -14.276 0.639) 14.357 14.856 ( -16.677 17.877 3.208) 24.658 14.856 ( 16.677 17.877 3.208) 24.658 15.559 ( -4.415 16.934 -1.545) 17.568 15.559 ( 4.415 16.934 -1.545) 17.568 15.943 ( -7.147 -4.872 4.733) 9.860 15.943 ( 7.147 -4.872 4.733) 9.860 16.524 ( -4.344 8.712 6.622) 11.774 16.524 ( 4.344 8.712 6.622) 11.774 16.654 ( -12.380 -11.394 -4.056) 17.308 16.654 ( 12.380 -11.394 -4.056) 17.308 17.444 ( -3.404 -7.208 -3.039) 8.531 17.444 ( 3.404 -7.208 -3.039) 8.531 17.966 ( -4.454 1.577 -4.829) 6.756 17.966 ( 4.454 1.577 -4.829) 6.756 18.273 ( -4.678 -1.215 -10.909) 11.932 18.273 ( 4.678 -1.215 -10.909) 11.932 18.711 ( -9.089 2.360 -3.443) 10.002 18.711 ( 9.089 2.360 -3.443) 10.002 19.004 ( -6.094 11.888 4.565) 14.117 19.004 ( 6.094 11.888 4.565) 14.117 19.334 ( -6.360 -11.527 -4.461) 13.901 19.334 ( 6.360 -11.527 -4.461) 13.901 19.673 ( -6.239 -1.273 0.860) 6.425 19.673 ( 6.239 -1.273 0.860) 6.425 20.487 ( -5.076 2.361 -4.829) 7.393 20.487 ( 5.076 2.361 -4.829) 7.393 20.602 ( -4.685 5.122 1.296) 7.062 20.602 ( 4.685 5.122 1.296) 7.062 21.610 ( -17.866 -2.781 -7.261) 19.485 21.610 ( 17.866 -2.781 -7.261) 19.485 21.759 ( -20.431 -4.693 -8.288) 22.543 21.759 ( 20.431 -4.693 -8.288) 22.543 21.944 ( -5.836 0.965 -3.668) 6.960 21.944 ( 5.836 0.965 -3.668) 6.960 22.092 ( -10.475 -1.423 -11.784) 15.831 22.092 ( 10.475 -1.423 -11.784) 15.831 22.825 ( -0.662 2.174 0.317) 2.295 22.825 ( 0.662 2.174 0.317) 2.295 22.907 ( -8.171 2.035 3.768) 9.225 22.907 ( 8.171 2.035 3.768) 9.225 23.410 ( -17.136 -2.437 14.801) 22.774 23.410 ( 17.136 -2.437 14.801) 22.774 23.521 ( -6.250 -1.536 14.504) 15.868 23.521 ( 6.250 -1.536 14.504) 15.868 25.661 ( -5.935 -0.637 -16.689) 17.724 25.661 ( 5.935 -0.637 -16.689) 17.724 26.023 ( -7.784 11.644 -12.326) 18.658 26.023 ( 7.784 11.644 -12.326) 18.658 26.405 ( -5.725 1.174 -15.348) 16.423 26.405 ( 5.725 1.174 -15.348) 16.423 26.452 ( -6.582 -4.270 -18.832) 20.400 26.452 ( 6.582 -4.270 -18.832) 20.400 27.719 ( -5.886 -6.503 -3.729) 9.531 27.719 ( 5.886 -6.503 -3.729) 9.531 28.010 ( -2.636 -2.739 5.175) 6.422 28.010 ( 2.636 -2.739 5.175) 6.422 28.218 ( -4.147 2.940 20.333) 20.959 28.218 ( 4.147 2.940 20.333) 20.959 28.687 ( -9.548 -14.228 13.029) 21.526 28.687 ( 9.548 -14.228 13.029) 21.526 29.166 ( -2.535 -4.314 7.635) 9.128 29.166 ( 2.535 -4.314 7.635) 9.128 29.759 ( -8.460 -9.547 -0.607) 12.770 29.759 ( 8.460 -9.547 -0.607) 12.770 29.905 ( -4.310 5.136 6.239) 9.159 29.905 ( 4.310 5.136 6.239) 9.159 30.192 ( -3.951 -7.897 16.909) 19.076 30.192 ( 3.951 -7.897 16.909) 19.076 31.241 ( -2.240 21.652 11.646) 24.687 31.241 ( 2.240 21.652 11.646) 24.687 31.541 ( -12.830 10.975 -4.362) 17.438 31.541 ( 12.830 10.975 -4.362) 17.438 32.570 ( -17.389 -6.563 -4.070) 19.027 32.570 ( 17.389 -6.563 -4.070) 19.027 32.666 ( -5.407 -10.458 1.891) 11.924 32.666 ( 5.407 -10.458 1.891) 11.924 33.468 ( -16.612 4.506 -6.275) 18.321 33.468 ( 16.612 4.506 -6.275) 18.321 33.789 ( -16.100 -4.288 -8.343) 18.633 33.789 ( 16.100 -4.288 -8.343) 18.633 34.874 ( -20.427 10.587 11.322) 25.642 34.874 ( 20.427 10.587 11.322) 25.642 35.625 ( -19.806 -16.394 5.790) 26.355 35.625 ( 19.806 -16.394 5.790) 26.355 36.515 ( -20.562 30.810 -4.890) 37.363 36.515 ( 20.562 30.810 -4.890) 37.363 37.792 ( -40.626 -10.296 -10.045) 43.097 37.792 ( 40.626 -10.296 -10.045) 43.097 ======================= Grid point 49 (21/84) ======================= q-point: ( 0.00 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 0.000 35.478 11.407) 37.267 2.010 ( 0.000 32.808 16.123) 36.555 2.444 ( 0.000 -13.470 6.116) 14.794 2.505 ( 0.000 -22.869 3.500) 23.135 2.814 ( 0.000 12.121 5.689) 13.390 2.877 ( 0.000 -3.471 -0.860) 3.576 2.985 ( 0.000 19.067 12.884) 23.012 3.052 ( 0.000 11.823 13.669) 18.073 3.066 ( 0.000 -2.995 6.042) 6.744 3.536 ( 0.000 -20.127 1.642) 20.194 3.566 ( 0.000 3.944 -2.108) 4.472 3.652 ( 0.000 -5.344 -2.013) 5.711 4.241 ( 0.000 1.714 14.782) 14.881 4.369 ( 0.000 -11.506 17.511) 20.953 4.591 ( 0.000 1.461 30.072) 30.108 4.716 ( 0.000 -9.874 27.093) 28.837 5.058 ( 0.000 2.473 24.570) 24.694 5.165 ( 0.000 -8.213 16.257) 18.214 5.957 ( 0.000 12.829 15.019) 19.752 6.027 ( 0.000 31.408 -3.851) 31.643 6.269 ( 0.000 -19.740 11.935) 23.067 6.644 ( 0.000 -33.815 -9.471) 35.117 6.657 ( 0.000 14.552 -3.047) 14.867 6.902 ( 0.000 4.432 -8.974) 10.009 7.001 ( 0.000 9.777 -2.879) 10.192 7.320 ( 0.000 -9.174 2.267) 9.450 7.395 ( 0.000 2.230 1.756) 2.838 7.558 ( 0.000 -14.131 -9.909) 17.259 7.885 ( 0.000 11.204 19.721) 22.681 8.160 ( 0.000 -18.087 17.070) 24.870 8.646 ( 0.000 8.710 -1.011) 8.768 8.768 ( 0.000 -5.008 -3.033) 5.855 9.349 ( 0.000 9.406 -3.137) 9.916 9.436 ( 0.000 -1.905 6.379) 6.657 9.836 ( 0.000 3.173 -11.560) 11.988 9.846 ( 0.000 1.692 -5.943) 6.179 10.221 ( 0.000 11.160 8.983) 14.326 10.346 ( 0.000 -2.982 8.405) 8.918 10.843 ( 0.000 10.183 -4.556) 11.156 11.047 ( 0.000 -10.085 -1.559) 10.205 11.191 ( 0.000 3.091 6.186) 6.915 11.359 ( 0.000 -13.900 5.154) 14.825 11.606 ( 0.000 9.622 -3.710) 10.313 11.718 ( 0.000 4.388 -3.070) 5.355 11.892 ( 0.000 9.832 7.904) 12.615 11.968 ( 0.000 3.450 -4.807) 5.917 12.211 ( 0.000 -26.574 5.626) 27.163 12.248 ( 0.000 -22.532 -7.172) 23.646 13.115 ( 0.000 18.340 3.931) 18.757 13.254 ( 0.000 -4.912 0.269) 4.919 13.291 ( 0.000 17.998 -1.796) 18.088 13.811 ( 0.000 1.662 -2.377) 2.900 13.816 ( 0.000 -20.098 1.492) 20.153 13.971 ( 0.000 -5.638 -3.164) 6.465 14.068 ( 0.000 4.070 1.606) 4.375 14.142 ( 0.000 -6.109 5.483) 8.209 14.618 ( 0.000 37.563 0.486) 37.566 15.276 ( 0.000 -15.248 -8.468) 17.442 15.525 ( 0.000 11.482 4.551) 12.352 15.916 ( 0.000 9.708 2.426) 10.006 16.018 ( 0.000 -15.487 1.759) 15.587 16.273 ( 0.000 -17.002 1.804) 17.097 16.497 ( 0.000 10.009 -5.617) 11.478 16.613 ( 0.000 -0.794 -11.889) 11.915 16.793 ( 0.000 4.100 -4.443) 6.046 16.900 ( 0.000 -4.709 -3.571) 5.910 17.218 ( 0.000 -0.218 4.928) 4.932 17.220 ( 0.000 1.891 8.474) 8.682 17.634 ( 0.000 3.927 -0.063) 3.927 17.777 ( 0.000 -10.026 -4.521) 10.998 17.989 ( 0.000 9.826 12.390) 15.813 18.253 ( 0.000 -18.573 11.123) 21.649 18.548 ( 0.000 10.950 -10.525) 15.188 18.751 ( 0.000 -11.060 -12.386) 16.605 19.129 ( 0.000 3.499 -14.546) 14.961 19.147 ( 0.000 0.715 -11.359) 11.382 19.420 ( 0.000 10.268 -3.771) 10.939 19.601 ( 0.000 -7.001 -5.963) 9.196 19.926 ( 0.000 2.800 -6.374) 6.962 19.967 ( 0.000 -1.040 -0.496) 1.152 20.142 ( 0.000 2.552 1.989) 3.235 20.197 ( 0.000 -3.297 -1.753) 3.734 20.501 ( 0.000 6.322 8.084) 10.262 20.623 ( 0.000 -6.740 7.226) 9.882 20.712 ( 0.000 4.539 4.537) 6.418 20.820 ( 0.000 -6.623 4.679) 8.109 21.604 ( 0.000 5.815 -11.465) 12.855 21.672 ( 0.000 -0.049 -13.759) 13.760 22.196 ( 0.000 1.419 1.838) 2.322 22.249 ( 0.000 -2.133 -9.880) 10.108 22.427 ( 0.000 -0.255 -19.981) 19.983 22.476 ( 0.000 -7.042 -7.428) 10.236 22.704 ( 0.000 16.655 3.539) 17.027 22.990 ( 0.000 -12.506 4.269) 13.215 23.086 ( 0.000 -0.408 -3.085) 3.112 23.089 ( 0.000 0.907 -5.848) 5.918 23.158 ( 0.000 2.029 11.855) 12.027 23.207 ( 0.000 -2.990 8.395) 8.912 23.472 ( 0.000 4.296 16.912) 17.449 23.603 ( 0.000 -11.949 33.354) 35.430 25.527 ( 0.000 3.262 -24.255) 24.473 25.589 ( 0.000 -3.454 -20.954) 21.236 25.771 ( 0.000 -0.335 -18.878) 18.881 25.805 ( 0.000 -5.047 -20.610) 21.219 26.625 ( 0.000 14.169 -5.158) 15.078 26.649 ( 0.000 18.262 4.071) 18.710 26.813 ( 0.000 -3.686 -13.072) 13.582 27.014 ( 0.000 -19.311 0.376) 19.315 27.081 ( 0.000 10.974 -12.073) 16.316 27.282 ( 0.000 -9.742 -11.511) 15.079 27.919 ( 0.000 9.418 25.850) 27.513 28.055 ( 0.000 -5.407 22.798) 23.430 28.228 ( 0.000 -2.915 -0.227) 2.924 28.282 ( 0.000 -6.845 -15.583) 17.020 28.622 ( 0.000 8.904 19.773) 21.685 28.752 ( 0.000 -5.705 26.249) 26.862 29.200 ( 0.000 0.937 10.443) 10.485 29.283 ( 0.000 -3.198 11.032) 11.486 29.547 ( 0.000 -3.010 17.877) 18.129 29.602 ( 0.000 -12.997 19.467) 23.407 29.891 ( 0.000 2.022 1.183) 2.342 29.932 ( 0.000 -2.753 2.138) 3.486 30.181 ( 0.000 3.455 6.331) 7.212 30.247 ( 0.000 -3.642 10.490) 11.104 31.245 ( 0.000 4.637 -12.433) 13.269 31.296 ( 0.000 -0.425 -9.583) 9.592 31.641 ( 0.000 17.901 4.840) 18.544 31.880 ( 0.000 -4.237 -3.712) 5.633 32.117 ( 0.000 7.248 3.681) 8.129 32.318 ( 0.000 -9.764 -10.290) 14.185 32.786 ( 0.000 10.909 19.792) 22.600 32.838 ( 0.000 4.900 -2.335) 5.428 32.901 ( 0.000 -2.144 -2.488) 3.284 33.009 ( 0.000 -11.628 14.096) 18.273 33.678 ( 0.000 2.313 -9.143) 9.431 33.707 ( 0.000 -1.125 -7.448) 7.533 34.542 ( 0.000 6.329 3.428) 7.198 34.683 ( 0.000 -9.041 1.341) 9.140 35.606 ( 0.000 14.965 15.574) 21.599 35.873 ( 0.000 -13.773 14.336) 19.880 36.152 ( 0.000 5.665 -1.381) 5.830 36.239 ( 0.000 -3.690 -1.537) 3.997 39.000 ( 0.000 18.370 -43.742) 47.443 39.230 ( 0.000 -8.567 -30.895) 32.061 ======================= Grid point 50 (22/84) ======================= q-point: ( 0.17 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 10.840 29.507 11.453) 33.456 2.144 ( 12.699 27.238 12.338) 32.487 2.487 ( 4.611 -13.783 5.859) 15.670 2.560 ( 5.287 -18.313 2.973) 19.291 2.844 ( 0.758 2.356 0.885) 2.628 2.883 ( 0.177 -3.390 -0.740) 3.474 2.985 ( -2.378 2.317 5.326) 6.276 3.034 ( -2.559 -3.308 5.669) 7.045 3.188 ( 14.567 26.195 15.494) 33.741 3.499 ( -3.162 -1.060 -0.811) 3.432 3.582 ( 0.192 -7.835 1.475) 7.975 3.616 ( -2.712 -5.180 -0.926) 5.920 4.423 ( 15.075 3.277 14.621) 21.255 4.533 ( 14.377 -7.771 14.179) 21.636 4.706 ( 14.380 4.000 28.501) 32.172 4.857 ( 13.002 -10.247 27.779) 32.338 5.201 ( 13.036 1.511 23.554) 26.963 5.297 ( 16.911 -8.996 16.118) 25.034 5.868 ( -9.586 10.842 12.865) 19.364 6.038 ( 1.442 26.739 7.275) 27.748 6.111 ( -12.207 -11.081 9.366) 18.961 6.524 ( -7.786 -7.212 -3.729) 11.249 6.673 ( 0.757 -10.659 -6.503) 12.509 6.814 ( -9.187 -12.175 -5.678) 16.275 7.046 ( 3.900 17.419 -0.757) 17.866 7.287 ( -3.296 -6.239 2.334) 7.432 7.450 ( 6.565 3.148 0.249) 7.285 7.646 ( 7.889 -15.203 -8.329) 19.046 7.854 ( -1.928 9.640 13.857) 16.990 8.071 ( -9.436 -13.037 9.122) 18.499 8.803 ( 11.829 6.446 1.013) 13.509 8.890 ( 6.396 -2.210 -4.205) 7.967 9.102 ( -12.882 12.063 6.584) 18.837 9.310 ( -14.597 -9.976 7.470) 19.194 9.801 ( -4.879 12.879 -4.844) 14.599 9.894 ( 5.121 8.013 -6.260) 11.385 10.149 ( -10.507 2.547 3.315) 11.308 10.310 ( -8.525 -10.236 5.284) 14.330 10.768 ( -8.569 7.294 -1.716) 11.383 10.901 ( -16.889 -5.826 1.353) 17.917 11.160 ( -1.843 -1.624 4.084) 4.766 11.255 ( -7.637 -6.802 -0.862) 10.263 11.502 ( -2.485 7.318 5.699) 9.602 11.650 ( -13.716 5.985 1.139) 15.008 11.770 ( 6.821 4.775 -5.313) 9.877 12.081 ( -8.142 -22.984 -6.833) 25.323 12.337 ( 22.845 -0.829 0.454) 22.865 12.457 ( 18.591 -15.639 -0.008) 24.294 12.931 ( -15.310 16.996 3.123) 23.087 13.094 ( -12.735 -2.479 0.557) 12.986 13.420 ( 5.234 12.786 0.331) 13.820 13.809 ( -2.660 -17.931 0.825) 18.146 13.904 ( 7.516 2.568 -3.237) 8.577 14.028 ( 4.065 -4.490 -1.817) 6.324 14.067 ( 0.995 3.498 -0.025) 3.637 14.172 ( 2.680 -7.587 3.302) 8.697 14.699 ( 8.853 34.793 1.073) 35.918 15.309 ( 3.372 -13.502 -6.980) 15.570 15.526 ( -0.366 9.225 4.100) 10.102 15.872 ( -4.192 2.786 -0.304) 5.043 15.969 ( -3.979 -8.331 2.443) 9.551 16.180 ( -5.830 -11.521 0.909) 12.944 16.420 ( -8.284 12.847 -4.414) 15.911 16.629 ( -0.491 -2.934 -1.311) 3.251 16.820 ( 1.159 1.215 -7.404) 7.592 16.977 ( 4.784 -5.545 -0.647) 7.352 17.118 ( -5.363 4.779 6.385) 9.611 17.243 ( -0.085 -3.218 5.339) 6.235 17.691 ( 6.520 3.241 -3.962) 8.289 17.810 ( 5.220 -6.808 -7.333) 11.286 18.089 ( 7.967 4.684 10.253) 13.804 18.257 ( 0.402 -11.270 6.035) 12.790 18.611 ( 5.409 7.361 -7.562) 11.858 18.785 ( 4.273 -9.803 -13.429) 17.167 19.045 ( -6.967 6.103 -11.054) 14.421 19.135 ( -1.520 -3.155 -10.799) 11.352 19.375 ( -4.201 9.964 -4.566) 11.738 19.550 ( -4.851 -7.341 -3.492) 9.466 19.803 ( -12.169 7.676 5.139) 15.278 19.898 ( -7.192 -3.067 -1.612) 7.983 20.215 ( 9.193 4.107 -5.300) 11.378 20.308 ( 9.473 -5.910 -3.124) 11.594 20.648 ( 1.844 4.622 6.538) 8.216 20.696 ( 17.938 1.958 5.572) 18.885 20.751 ( 1.314 0.547 3.424) 3.708 20.873 ( 10.002 -8.177 4.782) 13.776 21.651 ( 4.845 4.821 -11.115) 13.048 21.715 ( 4.141 -0.368 -13.253) 13.890 22.166 ( -3.125 2.324 1.649) 4.229 22.234 ( -2.314 -2.353 -9.999) 10.530 22.334 ( -8.855 0.917 -16.151) 18.442 22.418 ( -7.427 -8.195 -14.170) 17.975 22.728 ( 2.829 14.865 4.499) 15.786 22.946 ( -3.503 -6.408 0.281) 7.308 23.032 ( -3.926 3.646 -0.328) 5.368 23.106 ( -3.759 -3.258 4.986) 7.042 23.118 ( -0.061 0.932 3.803) 3.916 23.185 ( 1.623 -5.557 9.206) 10.875 23.555 ( 5.598 5.874 17.863) 19.619 23.728 ( 5.663 -14.480 27.736) 31.797 25.549 ( 3.637 7.442 -21.238) 22.796 25.714 ( 11.731 -9.910 -24.499) 28.914 25.773 ( 0.547 0.556 -18.986) 19.002 25.836 ( 3.149 -5.756 -20.325) 21.358 26.516 ( -9.911 12.447 -0.225) 15.913 26.586 ( -4.217 13.780 -10.008) 17.546 26.782 ( -5.409 0.698 -12.566) 13.698 26.802 ( -11.634 -6.097 -3.985) 13.726 27.298 ( 12.744 -1.755 -5.433) 13.964 27.384 ( 9.340 -8.854 -8.806) 15.594 27.942 ( 0.988 5.333 22.621) 23.263 28.044 ( -2.098 -5.902 17.647) 18.726 28.205 ( -1.973 -4.209 -2.849) 5.453 28.232 ( -2.485 -3.143 -3.695) 5.450 28.546 ( -6.353 9.433 18.503) 21.719 28.710 ( -4.088 -8.417 24.670) 26.385 29.178 ( -1.560 2.572 10.593) 11.011 29.315 ( 2.907 -8.021 8.015) 11.706 29.497 ( -4.663 3.287 16.841) 17.781 29.669 ( 2.623 -15.188 17.131) 23.044 29.859 ( -1.450 4.070 -0.803) 4.394 29.924 ( 0.192 -3.032 3.035) 4.295 30.114 ( -3.735 4.203 9.689) 11.202 30.196 ( -3.480 -4.726 12.409) 13.727 31.358 ( 9.640 8.645 -8.833) 15.674 31.403 ( 8.425 3.270 -5.106) 10.380 31.653 ( 0.969 17.254 5.341) 18.088 31.904 ( 1.070 -8.460 -0.134) 8.528 32.086 ( -0.082 13.276 -1.547) 13.366 32.350 ( 2.203 -13.420 -6.174) 14.935 32.694 ( -6.354 7.335 13.294) 16.459 32.894 ( -7.084 -11.357 6.256) 14.775 32.980 ( 10.520 5.235 -0.891) 11.784 33.098 ( 14.714 -7.117 -4.242) 16.886 33.804 ( 9.689 5.195 -11.465) 15.884 33.895 ( 14.999 -4.542 -10.662) 18.955 34.503 ( -0.969 6.361 10.079) 11.957 34.639 ( -0.252 -8.611 9.428) 12.771 35.609 ( -2.037 15.778 11.612) 19.696 35.868 ( -3.689 -11.559 8.438) 14.779 36.238 ( 9.189 5.827 0.184) 10.882 36.352 ( 15.740 -6.129 -1.045) 16.924 38.605 ( -37.511 26.981 -32.796) 56.662 38.957 ( -28.160 -13.505 -27.316) 41.492 ======================= Grid point 51 (23/84) ======================= q-point: ( 0.33 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 17.361 16.052 9.221) 25.379 2.410 ( 14.569 16.862 5.255) 22.895 2.610 ( 8.175 -10.762 4.672) 14.300 2.673 ( 6.437 -11.022 2.222) 12.956 2.807 ( -5.389 2.456 -0.196) 5.925 2.855 ( -3.841 -1.715 1.597) 4.500 2.909 ( -5.712 -1.208 3.568) 6.843 2.957 ( -6.153 -6.940 3.298) 9.844 3.422 ( 6.008 7.888 3.312) 10.454 3.474 ( 2.955 6.202 2.062) 7.173 3.533 ( -2.599 -3.204 0.435) 4.149 3.595 ( -1.594 -4.100 1.267) 4.578 4.687 ( 14.084 11.416 23.426) 29.622 4.797 ( 13.144 4.841 15.088) 20.587 5.048 ( 16.669 1.956 16.151) 23.292 5.101 ( 11.477 -9.342 30.185) 33.618 5.409 ( 5.916 5.366 20.321) 21.835 5.606 ( -14.093 9.337 10.455) 19.877 5.704 ( 12.347 -17.085 13.864) 25.230 5.885 ( -10.699 -12.181 11.499) 19.877 6.188 ( 18.265 20.515 9.226) 28.976 6.519 ( 9.820 -9.366 -3.344) 13.977 6.747 ( 6.724 -9.245 -4.475) 12.276 6.751 ( 8.132 -4.692 -7.307) 11.897 7.077 ( 0.920 6.186 2.860) 6.877 7.213 ( -4.117 -7.107 4.851) 9.539 7.608 ( 2.262 10.491 8.672) 13.798 7.736 ( -11.310 6.282 -0.425) 12.945 7.831 ( -0.883 -10.832 -0.087) 10.868 7.870 ( 7.438 -7.521 -2.465) 10.861 8.614 ( -20.994 12.349 11.446) 26.913 8.772 ( -24.397 -4.124 12.439) 27.694 9.188 ( 15.626 6.814 3.886) 17.485 9.282 ( 7.761 -2.247 3.712) 8.891 9.695 ( -24.267 15.352 0.330) 28.717 9.749 ( 0.853 14.327 -1.193) 14.402 9.999 ( -12.492 -10.861 2.353) 16.720 10.089 ( 0.274 -14.199 -8.421) 16.511 10.489 ( -23.040 -0.154 4.846) 23.545 10.517 ( -17.768 -3.043 3.426) 18.349 11.132 ( 1.381 1.872 -2.790) 3.632 11.262 ( 4.301 -4.732 -5.494) 8.431 11.393 ( -8.311 2.967 -0.987) 8.880 11.561 ( -0.168 -4.450 3.379) 5.590 11.946 ( 7.724 -0.739 -5.353) 9.426 12.069 ( 14.255 -9.581 -1.495) 17.241 12.581 ( -17.110 18.473 0.665) 25.189 12.760 ( 16.930 0.883 0.952) 16.980 12.796 ( -13.525 -4.541 1.027) 14.304 12.894 ( 22.149 -13.158 -0.446) 25.767 13.408 ( -7.691 10.073 0.777) 12.697 13.655 ( -13.821 -10.683 -0.301) 17.471 14.019 ( 3.940 2.580 -3.638) 5.951 14.050 ( 0.522 5.070 -2.459) 5.659 14.148 ( 4.931 -8.591 -0.892) 9.946 14.216 ( 1.495 -9.528 -0.328) 9.650 14.935 ( 15.813 28.469 2.283) 32.646 15.377 ( 1.290 6.167 -2.065) 6.631 15.499 ( -0.944 -8.654 3.451) 9.364 15.759 ( -8.169 -11.196 0.380) 13.864 15.932 ( 0.980 8.778 -0.117) 8.833 16.163 ( 5.073 -10.845 -0.534) 11.985 16.215 ( -12.220 17.254 -1.477) 21.195 16.580 ( -7.815 -16.236 -3.799) 18.415 16.770 ( -1.579 13.573 3.168) 14.027 16.967 ( -6.276 17.858 6.285) 19.945 17.104 ( 4.523 -17.786 3.289) 18.644 17.259 ( -0.032 -10.956 2.240) 11.183 17.861 ( 11.319 5.383 -8.775) 15.301 17.967 ( 10.105 -2.873 -9.077) 13.883 18.195 ( 1.697 -0.828 1.828) 2.628 18.255 ( -1.417 -4.756 -1.193) 5.104 18.707 ( 5.615 9.698 -10.306) 15.225 18.920 ( 8.553 -13.094 -10.603) 18.896 18.930 ( -4.284 9.504 -6.713) 12.400 19.099 ( -2.390 -7.284 -8.078) 11.137 19.300 ( -2.941 11.476 -3.121) 12.251 19.432 ( -7.604 2.007 3.459) 8.592 19.597 ( -7.676 -0.694 3.866) 8.623 19.711 ( -11.267 -8.358 1.911) 14.158 20.426 ( 11.665 5.931 -6.242) 14.499 20.488 ( 8.752 -0.679 -1.731) 8.947 20.661 ( -0.498 4.864 3.663) 6.109 20.724 ( -2.918 -1.155 1.164) 3.347 21.119 ( 25.804 0.725 2.360) 25.922 21.195 ( 22.394 -6.342 0.486) 23.279 21.758 ( 4.530 1.713 -9.157) 10.359 21.801 ( 4.008 -0.995 -11.408) 12.133 22.074 ( -8.142 3.075 -3.242) 9.288 22.107 ( -12.894 2.681 -14.589) 19.654 22.137 ( -10.402 -2.323 -11.899) 15.974 22.212 ( -11.650 -8.208 -8.271) 16.477 22.806 ( 4.907 7.760 2.428) 9.496 22.897 ( -1.629 -0.679 -3.539) 3.954 22.946 ( -4.058 2.990 0.453) 5.061 23.008 ( -5.547 -3.303 1.535) 6.636 23.184 ( 7.980 3.267 10.207) 13.361 23.290 ( 8.368 -7.251 12.546) 16.733 23.581 ( -3.698 3.140 17.877) 18.524 23.673 ( -10.503 -7.072 22.203) 25.559 25.657 ( 6.909 11.894 -20.023) 24.292 25.778 ( 0.182 5.273 -19.346) 20.053 25.906 ( 5.167 -7.648 -20.256) 22.260 25.954 ( 9.330 -19.098 -24.202) 32.211 26.375 ( -3.262 13.279 -6.244) 15.032 26.504 ( -3.418 4.870 -11.066) 12.564 26.607 ( -8.995 3.193 -6.959) 11.812 26.642 ( -9.272 0.322 -10.928) 14.335 27.515 ( 10.393 -1.408 -3.378) 11.019 27.565 ( 9.018 -5.893 -7.874) 13.344 27.894 ( -5.434 -5.232 7.513) 10.646 27.948 ( -7.439 -9.519 3.296) 12.523 28.223 ( 4.472 3.653 7.941) 9.819 28.272 ( 5.824 -3.616 15.930) 17.342 28.436 ( -5.076 7.283 16.220) 18.491 28.606 ( -7.254 -11.043 20.055) 24.016 29.173 ( 1.509 7.023 10.280) 12.541 29.368 ( -7.847 9.234 11.196) 16.498 29.387 ( 4.704 -12.763 6.510) 15.080 29.620 ( -6.351 -16.619 8.076) 19.539 29.904 ( 5.190 4.715 5.203) 8.731 29.983 ( 5.333 -4.364 9.408) 11.662 30.065 ( -2.570 4.337 10.940) 12.045 30.145 ( -2.577 -4.874 13.645) 14.717 31.530 ( 8.254 11.206 -0.444) 13.925 31.544 ( 6.523 11.114 -2.069) 13.052 31.663 ( -0.046 15.540 5.212) 16.391 31.857 ( -5.721 -2.283 1.250) 6.286 32.194 ( 10.861 4.187 -3.767) 12.234 32.394 ( 2.914 -13.697 -1.886) 14.130 32.573 ( -6.496 -0.753 7.957) 10.299 32.690 ( -12.992 -10.464 3.233) 16.993 33.255 ( 16.842 6.493 -4.515) 18.606 33.383 ( 15.985 -7.466 -6.517) 18.808 33.826 ( -8.874 6.729 -11.857) 16.267 33.954 ( -9.729 -7.037 -12.107) 17.052 34.679 ( 20.227 10.308 14.456) 26.914 34.884 ( 24.879 -12.459 12.718) 30.593 35.458 ( -14.337 14.634 7.900) 21.957 35.701 ( -14.077 -11.719 6.018) 19.280 36.531 ( 22.971 16.736 -2.478) 28.529 36.813 ( 32.062 -13.011 -4.854) 34.941 37.821 ( -43.199 31.874 -17.348) 56.418 38.286 ( -41.533 -19.495 -18.941) 49.637 ======================= Grid point 52 (24/84) ======================= q-point: (-0.50 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -9.403 6.834 3.495) 12.138 2.624 ( 9.403 6.834 3.495) 12.138 2.657 ( -5.854 6.250 1.571) 8.707 2.657 ( 5.854 6.250 1.571) 8.707 2.791 ( -1.161 -4.998 3.933) 6.465 2.791 ( 1.161 -4.998 3.933) 6.465 2.823 ( -3.642 -10.093 3.216) 11.201 2.823 ( 3.642 -10.093 3.216) 11.201 3.481 ( -2.686 4.461 0.734) 5.259 3.481 ( 2.686 4.461 0.734) 5.259 3.552 ( -2.634 -2.724 0.820) 3.877 3.552 ( 2.634 -2.724 0.820) 3.877 4.912 ( -5.864 17.988 25.899) 32.074 4.912 ( 5.864 17.988 25.899) 32.074 5.193 ( -4.666 -1.779 15.242) 16.039 5.193 ( 4.666 -1.779 15.242) 16.039 5.463 ( -7.011 1.669 21.836) 22.995 5.463 ( 7.011 1.669 21.836) 22.995 5.722 ( -3.465 -17.242 6.729) 18.830 5.722 ( 3.465 -17.242 6.729) 18.830 6.647 ( -13.551 7.834 -5.137) 16.474 6.647 ( 13.551 7.834 -5.137) 16.474 6.814 ( -3.343 -9.565 -2.526) 10.442 6.814 ( 3.343 -9.565 -2.526) 10.442 7.262 ( -16.682 4.961 -2.204) 17.543 7.262 ( 16.682 4.961 -2.204) 17.543 7.382 ( -16.540 -7.741 5.173) 18.980 7.382 ( 16.540 -7.741 5.173) 18.980 8.131 ( -8.532 11.139 17.565) 22.481 8.131 ( 8.532 11.139 17.565) 22.481 8.267 ( -15.752 -3.242 10.495) 19.204 8.267 ( 15.752 -3.242 10.495) 19.204 9.346 ( -5.588 14.098 -2.920) 15.443 9.346 ( 5.588 14.098 -2.920) 15.443 9.569 ( -15.659 -10.170 -0.687) 18.684 9.569 ( 15.659 -10.170 -0.687) 18.684 10.075 ( -19.220 7.114 3.602) 20.809 10.075 ( 19.220 7.114 3.602) 20.809 10.237 ( -11.182 -9.760 0.928) 14.871 10.237 ( 11.182 -9.760 0.928) 14.871 11.208 ( -6.033 6.967 -4.974) 10.473 11.208 ( 6.033 6.967 -4.974) 10.473 11.447 ( -8.996 -17.896 -3.362) 20.310 11.447 ( 8.996 -17.896 -3.362) 20.310 12.216 ( -19.494 14.701 0.738) 24.427 12.216 ( 19.494 14.701 0.738) 24.427 12.426 ( -20.778 -6.775 1.120) 21.883 12.426 ( 20.778 -6.775 1.120) 21.883 13.146 ( -18.839 5.947 -0.259) 19.757 13.146 ( 18.839 5.947 -0.259) 19.757 13.323 ( -21.286 -10.906 -1.004) 23.938 13.323 ( 21.286 -10.906 -1.004) 23.938 14.055 ( -0.565 5.264 -3.249) 6.211 14.055 ( 0.565 5.264 -3.249) 6.211 14.213 ( -1.915 -10.428 -1.260) 10.677 14.213 ( 1.915 -10.428 -1.260) 10.677 15.230 ( -14.350 21.863 2.466) 26.267 15.230 ( 14.350 21.863 2.466) 26.267 15.594 ( -8.664 -15.682 2.174) 18.048 15.594 ( 8.664 -15.682 2.174) 18.048 16.016 ( -8.052 16.721 -1.639) 18.631 16.016 ( 8.052 16.721 -1.639) 18.631 16.352 ( -13.528 -18.349 -3.378) 23.046 16.352 ( 13.528 -18.349 -3.378) 23.046 16.836 ( -6.728 20.705 6.498) 22.720 16.836 ( 6.728 20.705 6.498) 22.720 17.205 ( -5.176 -18.174 3.125) 19.153 17.205 ( 5.176 -18.174 3.125) 19.153 18.055 ( -6.145 7.323 -6.981) 11.837 18.055 ( 6.145 7.323 -6.981) 11.837 18.193 ( -3.561 -6.931 -7.625) 10.902 18.193 ( 3.561 -6.931 -7.625) 10.902 18.834 ( -6.798 10.175 -8.109) 14.680 18.834 ( 6.798 10.175 -8.109) 14.680 19.045 ( -3.789 -11.559 -8.660) 14.932 19.045 ( 3.789 -11.559 -8.660) 14.932 19.311 ( -4.610 13.371 4.547) 14.856 19.311 ( 4.610 13.371 4.547) 14.856 19.556 ( -3.618 -11.303 2.002) 12.036 19.556 ( 3.618 -11.303 2.002) 12.036 20.581 ( -2.562 6.330 -2.070) 7.135 20.581 ( 2.562 6.330 -2.070) 7.135 20.653 ( -3.053 -0.526 0.929) 3.234 20.653 ( 3.053 -0.526 0.929) 3.234 21.580 ( -17.054 0.641 -4.931) 17.764 21.580 ( 17.054 0.641 -4.931) 17.764 21.648 ( -18.203 -6.221 -5.614) 20.039 21.648 ( 18.203 -6.221 -5.614) 20.039 21.986 ( -4.333 3.442 -7.191) 9.074 21.986 ( 4.333 3.442 -7.191) 9.074 22.050 ( -5.503 -3.153 -10.150) 11.968 22.050 ( 5.503 -3.153 -10.150) 11.968 22.877 ( -1.768 3.247 -1.796) 4.110 22.877 ( 1.768 3.247 -1.796) 4.110 22.923 ( -2.838 -1.070 -1.837) 3.546 22.923 ( 2.838 -1.070 -1.837) 3.546 23.401 ( -13.983 2.013 17.116) 22.193 23.401 ( 13.983 2.013 17.116) 22.193 23.466 ( -9.850 -4.104 16.633) 19.761 23.466 ( 9.850 -4.104 16.633) 19.761 25.756 ( -3.124 10.532 -19.650) 22.512 25.756 ( 3.124 10.532 -19.650) 22.512 25.995 ( -3.507 -13.046 -21.121) 25.072 25.995 ( 3.507 -13.046 -21.121) 25.072 26.444 ( -8.680 7.215 -9.452) 14.723 26.444 ( 8.680 7.215 -9.452) 14.723 26.503 ( -3.848 1.899 -9.922) 10.810 26.503 ( 3.848 1.899 -9.922) 10.810 27.654 ( -2.374 2.473 -4.746) 5.855 27.654 ( 2.374 2.473 -4.746) 5.855 27.834 ( -2.352 -14.347 0.425) 14.545 27.834 ( 2.352 -14.347 0.425) 14.545 28.314 ( -4.369 6.794 17.133) 18.941 28.314 ( 4.369 6.794 17.133) 18.941 28.452 ( -8.415 -9.285 15.616) 20.022 28.452 ( 8.415 -9.285 15.616) 20.022 29.239 ( -5.531 10.398 10.229) 15.599 29.239 ( 5.531 10.398 10.229) 15.599 29.494 ( -6.644 -16.309 5.651) 18.495 29.494 ( 6.644 -16.309 5.651) 18.495 30.000 ( -4.566 4.569 8.932) 11.023 30.000 ( 4.566 4.569 8.932) 11.023 30.080 ( -4.612 -4.727 12.484) 14.124 30.080 ( 4.612 -4.727 12.484) 14.124 31.614 ( -1.915 16.266 4.603) 17.013 31.614 ( 1.915 16.266 4.603) 17.013 31.723 ( -7.905 5.187 -1.168) 9.527 31.723 ( 7.905 5.187 -1.168) 9.527 32.433 ( -13.352 -5.805 -0.084) 14.559 32.433 ( 13.352 -5.805 -0.084) 14.559 32.468 ( -4.688 -9.007 2.092) 10.367 32.468 ( 4.688 -9.007 2.092) 10.367 33.570 ( -16.381 6.355 -6.646) 18.785 33.570 ( 16.381 6.355 -6.646) 18.785 33.688 ( -16.366 -6.368 -7.348) 19.037 33.688 ( 16.366 -6.368 -7.348) 19.037 35.104 ( -22.570 13.744 9.504) 28.083 35.104 ( 22.570 13.744 9.504) 28.083 35.356 ( -22.890 -13.945 7.919) 27.949 35.356 ( 22.890 -13.945 7.919) 27.949 37.068 ( -33.657 28.492 -9.180) 45.043 37.068 ( 33.657 28.492 -9.180) 45.043 37.514 ( -39.235 -20.180 -10.302) 45.307 37.514 ( 39.235 -20.180 -10.302) 45.307 ======================= Grid point 70 (25/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 0.000 0.000 38.579) 38.579 1.907 ( 0.000 0.000 42.688) 42.688 2.629 ( 0.000 0.000 6.458) 6.458 2.787 ( 0.000 0.000 2.398) 2.398 2.821 ( 0.000 0.000 42.898) 42.898 2.830 ( 0.000 0.000 1.617) 1.617 3.110 ( 0.000 0.000 3.927) 3.927 3.157 ( 0.000 0.000 7.152) 7.152 3.159 ( 0.000 0.000 -0.569) 0.569 3.431 ( 0.000 0.000 -1.354) 1.354 3.636 ( 0.000 0.000 -12.681) 12.681 3.661 ( 0.000 0.000 -4.743) 4.743 4.471 ( 0.000 0.000 5.638) 5.638 4.541 ( 0.000 0.000 18.982) 18.982 5.353 ( 0.000 0.000 -0.959) 0.959 5.394 ( 0.000 0.000 19.937) 19.937 5.698 ( 0.000 0.000 32.366) 32.366 5.755 ( 0.000 0.000 27.453) 27.453 5.992 ( 0.000 0.000 13.526) 13.526 6.226 ( 0.000 0.000 25.132) 25.132 6.357 ( 0.000 0.000 25.853) 25.853 6.585 ( 0.000 0.000 53.075) 53.075 6.741 ( 0.000 0.000 -4.733) 4.733 6.956 ( 0.000 0.000 14.835) 14.835 7.394 ( 0.000 0.000 -13.329) 13.329 7.444 ( 0.000 0.000 -0.567) 0.567 7.708 ( 0.000 0.000 1.628) 1.628 7.960 ( 0.000 0.000 11.781) 11.781 8.208 ( 0.000 0.000 5.592) 5.592 8.281 ( 0.000 0.000 -4.502) 4.502 8.447 ( 0.000 0.000 17.533) 17.533 8.676 ( 0.000 0.000 -8.037) 8.037 9.071 ( 0.000 0.000 12.167) 12.167 9.315 ( 0.000 0.000 -6.819) 6.819 9.851 ( 0.000 0.000 -1.091) 1.091 10.003 ( 0.000 0.000 3.457) 3.457 10.094 ( 0.000 0.000 -10.027) 10.027 10.245 ( 0.000 0.000 23.534) 23.534 10.417 ( 0.000 0.000 -4.754) 4.754 11.262 ( 0.000 0.000 2.672) 2.672 11.316 ( 0.000 0.000 -0.100) 0.100 11.400 ( 0.000 0.000 -7.526) 7.526 11.806 ( 0.000 0.000 -5.715) 5.715 11.870 ( 0.000 0.000 5.049) 5.049 11.951 ( 0.000 0.000 16.607) 16.607 11.992 ( 0.000 0.000 7.063) 7.063 12.249 ( 0.000 0.000 0.259) 0.259 12.647 ( 0.000 0.000 -9.770) 9.770 13.020 ( 0.000 0.000 -2.159) 2.159 13.153 ( 0.000 0.000 -9.629) 9.629 13.469 ( 0.000 0.000 -0.028) 0.028 13.621 ( 0.000 0.000 16.295) 16.295 13.643 ( 0.000 0.000 2.241) 2.241 13.931 ( 0.000 0.000 -3.471) 3.471 14.102 ( 0.000 0.000 3.682) 3.682 14.341 ( 0.000 0.000 -1.644) 1.644 14.489 ( 0.000 0.000 -0.476) 0.476 14.806 ( 0.000 0.000 6.237) 6.237 15.462 ( 0.000 0.000 -8.286) 8.286 16.007 ( 0.000 0.000 -5.373) 5.373 16.082 ( 0.000 0.000 -7.167) 7.167 16.210 ( 0.000 0.000 2.476) 2.476 16.257 ( 0.000 0.000 -12.719) 12.719 16.390 ( 0.000 0.000 -6.699) 6.699 16.877 ( 0.000 0.000 -2.606) 2.606 17.161 ( 0.000 0.000 11.158) 11.158 17.280 ( 0.000 0.000 9.067) 9.067 17.328 ( 0.000 0.000 -1.778) 1.778 17.885 ( 0.000 0.000 10.536) 10.536 18.048 ( 0.000 0.000 5.828) 5.828 18.089 ( 0.000 0.000 -5.597) 5.597 18.111 ( 0.000 0.000 -8.321) 8.321 18.439 ( 0.000 0.000 -23.466) 23.466 18.484 ( 0.000 0.000 -24.695) 24.695 18.811 ( 0.000 0.000 -4.287) 4.287 18.888 ( 0.000 0.000 -18.363) 18.363 19.110 ( 0.000 0.000 -9.596) 9.596 19.194 ( 0.000 0.000 -5.384) 5.384 19.982 ( 0.000 0.000 -5.902) 5.902 20.097 ( 0.000 0.000 5.994) 5.994 20.109 ( 0.000 0.000 5.642) 5.642 20.386 ( 0.000 0.000 -16.444) 16.444 20.461 ( 0.000 0.000 5.839) 5.839 20.467 ( 0.000 0.000 3.012) 3.012 20.738 ( 0.000 0.000 -16.462) 16.462 20.816 ( 0.000 0.000 1.084) 1.084 21.428 ( 0.000 0.000 -3.838) 3.838 21.628 ( 0.000 0.000 1.416) 1.416 21.808 ( 0.000 0.000 -18.461) 18.461 21.943 ( 0.000 0.000 -30.160) 30.160 22.198 ( 0.000 0.000 -5.654) 5.654 22.482 ( 0.000 0.000 -5.228) 5.228 22.661 ( 0.000 0.000 -6.418) 6.418 22.756 ( 0.000 0.000 -5.689) 5.689 22.881 ( 0.000 0.000 -12.397) 12.397 23.286 ( 0.000 0.000 3.430) 3.430 23.289 ( 0.000 0.000 -1.598) 1.598 23.476 ( 0.000 0.000 13.612) 13.612 23.613 ( 0.000 0.000 14.812) 14.812 24.858 ( 0.000 0.000 0.042) 0.042 25.104 ( 0.000 0.000 -15.234) 15.234 25.265 ( 0.000 0.000 -23.455) 23.455 25.441 ( 0.000 0.000 -4.885) 4.885 25.627 ( 0.000 0.000 -29.140) 29.140 25.979 ( 0.000 0.000 -6.761) 6.761 26.044 ( 0.000 0.000 -16.761) 16.761 26.591 ( 0.000 0.000 -11.628) 11.628 27.255 ( 0.000 0.000 -4.287) 4.287 27.720 ( 0.000 0.000 8.433) 8.433 27.786 ( 0.000 0.000 21.900) 21.900 27.980 ( 0.000 0.000 -4.947) 4.947 28.252 ( 0.000 0.000 13.945) 13.945 28.315 ( 0.000 0.000 -1.221) 1.221 28.734 ( 0.000 0.000 18.580) 18.580 28.799 ( 0.000 0.000 22.225) 22.225 29.428 ( 0.000 0.000 1.589) 1.589 29.444 ( 0.000 0.000 13.336) 13.336 29.522 ( 0.000 0.000 9.198) 9.198 29.889 ( 0.000 0.000 3.184) 3.184 30.060 ( 0.000 0.000 21.630) 21.630 30.143 ( 0.000 0.000 4.544) 4.544 30.150 ( 0.000 0.000 5.807) 5.807 30.299 ( 0.000 0.000 7.930) 7.930 30.526 ( 0.000 0.000 2.645) 2.645 30.875 ( 0.000 0.000 6.178) 6.178 30.893 ( 0.000 0.000 1.848) 1.848 31.454 ( 0.000 0.000 -3.652) 3.652 31.557 ( 0.000 0.000 -6.372) 6.372 31.632 ( 0.000 0.000 23.146) 23.146 32.376 ( 0.000 0.000 13.342) 13.342 32.650 ( 0.000 0.000 -3.480) 3.480 33.072 ( 0.000 0.000 10.569) 10.569 33.175 ( 0.000 0.000 30.116) 30.116 33.382 ( 0.000 0.000 -8.854) 8.854 33.451 ( 0.000 0.000 11.688) 11.688 33.655 ( 0.000 0.000 -5.713) 5.713 34.541 ( 0.000 0.000 7.738) 7.738 34.926 ( 0.000 0.000 -1.296) 1.296 35.592 ( 0.000 0.000 17.049) 17.049 36.000 ( 0.000 0.000 0.941) 0.941 36.215 ( 0.000 0.000 -1.560) 1.560 36.260 ( 0.000 0.000 -2.303) 2.303 37.424 ( 0.000 0.000 -13.714) 13.714 38.778 ( 0.000 0.000 -36.788) 36.788 ======================= Grid point 71 (26/84) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 11.862 0.000 27.569) 30.013 2.085 ( 17.650 0.000 35.590) 39.726 2.677 ( 4.154 0.000 5.651) 7.014 2.787 ( 0.208 0.000 2.006) 2.017 2.842 ( 1.083 0.000 1.273) 1.672 2.994 ( 14.374 0.000 29.493) 32.809 3.082 ( -0.709 0.000 8.148) 8.179 3.152 ( -0.097 0.000 7.263) 7.263 3.181 ( 2.409 0.000 -0.921) 2.579 3.402 ( -3.216 0.000 0.004) 3.216 3.594 ( -4.266 0.000 -11.074) 11.867 3.665 ( 0.274 0.000 -3.761) 3.771 4.498 ( 3.248 0.000 7.386) 8.068 4.727 ( 18.043 0.000 19.800) 26.787 5.339 ( 0.602 0.000 4.750) 4.788 5.591 ( 17.211 0.000 13.213) 21.698 5.731 ( 0.987 0.000 25.629) 25.648 5.756 ( 0.639 0.000 28.700) 28.707 6.128 ( 12.949 0.000 3.273) 13.356 6.259 ( 6.267 0.000 38.159) 38.670 6.309 ( -9.862 0.000 28.227) 29.901 6.674 ( 12.559 0.000 53.910) 55.353 6.714 ( -3.022 0.000 -1.445) 3.350 6.988 ( 8.190 0.000 15.744) 17.747 7.217 ( -11.256 0.000 -8.764) 14.266 7.359 ( -12.131 0.000 -2.308) 12.349 7.743 ( 3.025 0.000 -1.228) 3.265 8.011 ( 3.246 0.000 0.496) 3.284 8.119 ( -14.909 0.000 7.248) 16.578 8.264 ( -6.737 0.000 10.926) 12.836 8.367 ( 5.848 0.000 -2.765) 6.469 8.857 ( 11.424 0.000 -2.283) 11.650 8.953 ( -0.917 0.000 16.325) 16.351 9.463 ( -0.840 0.000 0.370) 0.917 9.615 ( -24.266 0.000 5.274) 24.833 9.828 ( 4.264 0.000 7.400) 8.540 10.082 ( -11.276 0.000 1.879) 11.431 10.412 ( 17.035 0.000 -9.103) 19.314 10.510 ( 0.422 0.000 3.455) 3.481 11.081 ( -18.605 0.000 4.263) 19.087 11.085 ( -20.912 0.000 -3.409) 21.188 11.507 ( -10.959 0.000 6.283) 12.632 11.598 ( 11.526 0.000 -5.676) 12.848 11.743 ( -6.041 0.000 4.642) 7.618 11.935 ( -3.332 0.000 6.397) 7.212 12.042 ( -4.194 0.000 0.477) 4.221 12.455 ( 11.763 0.000 -1.783) 11.898 12.647 ( 5.773 0.000 -5.448) 7.938 12.900 ( -10.432 0.000 -0.232) 10.434 13.074 ( -7.030 0.000 -4.403) 8.295 13.406 ( -7.163 0.000 2.477) 7.579 13.468 ( -0.475 0.000 0.589) 0.757 13.957 ( 2.647 0.000 -4.645) 5.346 14.075 ( 20.188 0.000 3.596) 20.506 14.225 ( 18.064 0.000 7.694) 19.634 14.409 ( 3.150 0.000 -0.487) 3.187 14.448 ( -1.061 0.000 -2.086) 2.340 14.798 ( -0.996 0.000 5.469) 5.559 15.358 ( -8.677 0.000 -9.723) 13.032 15.931 ( -13.662 0.000 1.284) 13.722 16.081 ( 8.001 0.000 -4.535) 9.197 16.175 ( -3.439 0.000 3.632) 5.001 16.418 ( 2.840 0.000 -4.673) 5.468 16.461 ( 15.469 0.000 -15.193) 21.682 16.753 ( -10.109 0.000 2.231) 10.352 17.023 ( -10.983 0.000 8.994) 14.195 17.311 ( -8.582 0.000 -1.701) 8.749 17.342 ( 6.174 0.000 2.065) 6.511 17.791 ( -1.842 0.000 4.725) 5.071 17.984 ( -1.801 0.000 -2.951) 3.457 18.008 ( -8.060 0.000 -11.854) 14.335 18.283 ( -1.743 0.000 -14.288) 14.394 18.373 ( 13.278 0.000 -5.748) 14.469 18.671 ( 2.337 0.000 -3.793) 4.456 18.826 ( -5.293 0.000 -14.954) 15.863 18.868 ( 12.250 0.000 -17.509) 21.369 19.162 ( 3.899 0.000 -9.431) 10.205 19.251 ( 6.068 0.000 -3.478) 6.994 19.764 ( -18.790 0.000 6.451) 19.866 19.948 ( -3.447 0.000 -4.291) 5.504 20.264 ( 3.703 0.000 3.548) 5.128 20.352 ( -2.546 0.000 -13.073) 13.318 20.508 ( 2.218 0.000 -0.759) 2.344 20.555 ( 3.768 0.000 -2.614) 4.586 20.834 ( 12.948 0.000 -9.623) 16.133 20.901 ( 9.354 0.000 -3.100) 9.854 21.461 ( 3.103 0.000 -6.224) 6.954 21.612 ( 0.432 0.000 -2.108) 2.152 21.808 ( -0.035 0.000 -15.096) 15.096 21.932 ( -2.404 0.000 -26.414) 26.524 22.143 ( -5.566 0.000 -5.554) 7.863 22.454 ( -10.831 0.000 -19.946) 22.697 22.592 ( 5.135 0.000 8.371) 9.820 22.747 ( -0.592 0.000 -4.517) 4.556 23.003 ( 10.582 0.000 -4.730) 11.591 23.177 ( -8.812 0.000 4.511) 9.900 23.281 ( -2.618 0.000 -0.221) 2.627 23.563 ( 6.937 0.000 14.349) 15.938 23.698 ( 7.566 0.000 13.911) 15.835 24.694 ( -17.661 0.000 1.951) 17.769 25.148 ( 4.771 0.000 -15.923) 16.622 25.356 ( 7.264 0.000 -21.463) 22.659 25.477 ( 3.124 0.000 -12.928) 13.300 25.630 ( 1.787 0.000 -25.040) 25.104 25.924 ( -10.066 0.000 -16.475) 19.307 25.996 ( 0.754 0.000 -8.474) 8.508 26.579 ( -3.922 0.000 -7.852) 8.778 26.867 ( -29.170 0.000 5.540) 29.691 27.545 ( -8.114 0.000 -0.424) 8.125 27.936 ( 7.121 0.000 4.861) 8.622 28.083 ( -1.284 0.000 -7.176) 7.290 28.235 ( -7.696 0.000 -3.725) 8.550 28.297 ( 8.605 0.000 21.607) 23.258 28.752 ( 1.618 0.000 21.697) 21.757 28.871 ( 8.399 0.000 24.296) 25.707 29.347 ( -6.039 0.000 -2.494) 6.534 29.432 ( -3.360 0.000 9.404) 9.986 29.595 ( 4.554 0.000 11.206) 12.096 29.665 ( -7.699 0.000 16.940) 18.607 29.897 ( -11.929 0.000 15.542) 19.592 30.128 ( -3.107 0.000 4.846) 5.757 30.153 ( -1.644 0.000 9.783) 9.920 30.383 ( 8.244 0.000 3.038) 8.786 30.670 ( 5.012 0.000 16.918) 17.645 30.918 ( 5.270 0.000 -1.469) 5.471 31.030 ( 11.072 0.000 10.836) 15.492 31.494 ( 1.729 0.000 -8.511) 8.685 31.594 ( -3.192 0.000 24.781) 24.985 31.710 ( 14.772 0.000 -10.730) 18.258 32.524 ( 11.591 0.000 5.170) 12.691 32.743 ( 8.974 0.000 -5.529) 10.541 33.033 ( -3.115 0.000 15.514) 15.824 33.178 ( -12.802 0.000 -0.339) 12.806 33.256 ( 7.074 0.000 6.746) 9.775 33.590 ( 5.447 0.000 2.993) 6.215 33.857 ( 15.611 0.000 -2.755) 15.852 34.564 ( 3.506 0.000 9.511) 10.137 34.963 ( 8.204 0.000 0.505) 8.220 35.532 ( -6.919 0.000 14.832) 16.367 35.998 ( 0.323 0.000 2.099) 2.124 36.200 ( -1.583 0.000 -0.895) 1.818 36.350 ( 7.539 0.000 -4.770) 8.922 37.267 ( -13.105 0.000 -6.875) 14.799 38.618 ( -17.069 0.000 -34.632) 38.610 ======================= Grid point 72 (27/84) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 14.645 0.000 11.941) 18.896 2.465 ( 20.542 0.000 20.624) 29.109 2.676 ( -6.624 0.000 2.037) 6.930 2.848 ( 7.072 0.000 5.255) 8.811 2.851 ( -1.041 0.000 1.640) 1.942 3.005 ( -2.245 0.000 6.163) 6.560 3.135 ( 0.217 0.000 4.137) 4.143 3.249 ( 4.945 0.000 -1.959) 5.319 3.289 ( -2.946 0.000 0.775) 3.046 3.381 ( 12.518 0.000 16.683) 20.857 3.491 ( -6.643 0.000 -7.636) 10.121 3.658 ( -1.503 0.000 -1.109) 1.868 4.620 ( 11.119 0.000 12.720) 16.894 5.083 ( 17.014 0.000 28.500) 33.192 5.432 ( -25.415 0.000 15.745) 29.897 5.452 ( 9.580 0.000 9.672) 13.613 5.673 ( -2.776 0.000 17.621) 17.839 6.109 ( 22.854 0.000 33.730) 40.744 6.267 ( -3.619 0.000 -3.975) 5.376 6.339 ( 19.792 0.000 23.563) 30.772 6.556 ( 18.539 0.000 33.496) 38.284 6.670 ( -9.386 0.000 27.451) 29.011 6.688 ( 7.200 0.000 10.603) 12.816 7.035 ( -10.185 0.000 -8.090) 13.007 7.140 ( -6.324 0.000 -5.282) 8.240 7.420 ( 11.290 0.000 31.046) 33.035 7.675 ( 1.766 0.000 3.483) 3.905 7.927 ( 4.267 0.000 6.924) 8.133 8.033 ( 1.679 0.000 -4.130) 4.458 8.182 ( -4.805 0.000 8.118) 9.434 8.435 ( 1.240 0.000 17.838) 17.881 8.898 ( -16.670 0.000 14.113) 21.841 9.030 ( 0.257 0.000 11.367) 11.370 9.211 ( -19.810 0.000 8.687) 21.631 9.323 ( 3.532 0.000 -4.172) 5.467 9.824 ( -3.465 0.000 10.665) 11.213 10.091 ( 14.316 0.000 -4.684) 15.062 10.321 ( -34.159 0.000 -5.941) 34.672 10.427 ( -7.441 0.000 -3.259) 8.123 10.643 ( -26.015 0.000 6.925) 26.921 10.932 ( 14.872 0.000 -6.556) 16.253 11.495 ( -10.830 0.000 -4.273) 11.643 11.500 ( 6.387 0.000 4.913) 8.058 11.857 ( -9.684 0.000 1.844) 9.858 11.985 ( 5.260 0.000 -0.802) 5.321 12.008 ( 20.992 0.000 0.051) 20.992 12.397 ( -10.080 0.000 -6.787) 12.152 12.686 ( -13.428 0.000 0.044) 13.428 12.969 ( -2.222 0.000 -1.970) 2.969 12.971 ( 20.051 0.000 1.485) 20.106 13.235 ( -11.589 0.000 -4.963) 12.607 13.431 ( -4.332 0.000 2.062) 4.798 14.025 ( 4.808 0.000 -7.323) 8.761 14.299 ( -8.530 0.000 -6.040) 10.452 14.406 ( 19.614 0.000 4.713) 20.172 14.574 ( 7.708 0.000 1.271) 7.812 14.664 ( 21.452 0.000 7.627) 22.768 14.764 ( -2.773 0.000 4.655) 5.418 15.205 ( -6.727 0.000 -9.590) 11.714 15.617 ( -19.079 0.000 1.799) 19.164 16.124 ( -1.062 0.000 9.331) 9.391 16.298 ( 15.202 0.000 -2.667) 15.434 16.403 ( -14.739 0.000 10.999) 18.391 16.494 ( 5.489 0.000 -0.301) 5.497 16.812 ( -11.234 0.000 7.929) 13.750 16.903 ( 19.825 0.000 -19.175) 27.581 17.018 ( -19.750 0.000 -3.273) 20.019 17.427 ( -1.040 0.000 -7.260) 7.334 17.858 ( 5.633 0.000 0.620) 5.667 17.867 ( -1.827 0.000 -19.984) 20.067 17.964 ( -0.829 0.000 -1.849) 2.026 18.207 ( -9.356 0.000 -12.674) 15.753 18.556 ( 6.738 0.000 -6.327) 9.242 18.732 ( -4.578 0.000 -11.271) 12.165 18.759 ( 9.762 0.000 6.512) 11.735 19.107 ( 6.858 0.000 -10.331) 12.400 19.202 ( 1.741 0.000 -12.380) 12.502 19.414 ( 11.243 0.000 -0.792) 11.271 19.467 ( -11.693 0.000 1.706) 11.817 19.840 ( -8.607 0.000 -1.635) 8.761 20.330 ( 4.543 0.000 -1.329) 4.734 20.342 ( 2.142 0.000 -9.700) 9.933 20.497 ( -3.191 0.000 -4.913) 5.859 20.538 ( -4.068 0.000 -8.941) 9.823 21.151 ( 18.014 0.000 -6.567) 19.174 21.152 ( 16.924 0.000 -11.263) 20.329 21.510 ( 0.818 0.000 -11.716) 11.745 21.667 ( 1.847 0.000 -16.883) 16.984 21.808 ( 0.555 0.000 -6.939) 6.961 21.842 ( -4.191 0.000 -11.911) 12.627 22.010 ( -8.231 0.000 -5.132) 9.700 22.211 ( -13.818 0.000 -11.429) 17.932 22.756 ( 2.225 0.000 -1.430) 2.645 22.757 ( 10.598 0.000 0.330) 10.603 23.003 ( -9.548 0.000 4.553) 10.578 23.156 ( -8.261 0.000 1.080) 8.332 23.291 ( 18.906 0.000 7.367) 20.291 23.704 ( 7.804 0.000 15.631) 17.471 23.819 ( 3.970 0.000 14.947) 15.466 24.255 ( -27.887 0.000 9.995) 29.625 25.278 ( 9.114 0.000 -17.835) 20.029 25.431 ( 1.651 0.000 -15.092) 15.182 25.495 ( -1.550 0.000 -21.426) 21.482 25.703 ( -12.743 0.000 -19.438) 23.243 25.780 ( 13.247 0.000 -22.836) 26.400 26.041 ( 4.409 0.000 -6.852) 8.148 26.388 ( -21.569 0.000 -5.672) 22.302 26.404 ( -13.227 0.000 -4.325) 13.916 27.545 ( 6.985 0.000 -5.836) 9.102 27.948 ( -10.647 0.000 -3.864) 11.327 27.995 ( 0.901 0.000 -1.567) 1.808 28.098 ( -5.955 0.000 -3.936) 7.138 28.488 ( 9.971 0.000 17.879) 20.472 28.758 ( -2.363 0.000 24.398) 24.513 29.062 ( 10.248 0.000 23.764) 25.880 29.271 ( -0.250 0.000 -2.362) 2.375 29.325 ( -5.944 0.000 17.219) 18.216 29.546 ( -10.018 0.000 17.397) 20.076 29.712 ( 8.928 0.000 16.571) 18.823 29.825 ( 4.707 0.000 4.423) 6.459 30.047 ( -5.258 0.000 3.157) 6.133 30.078 ( -6.540 0.000 10.605) 12.459 30.515 ( 5.173 0.000 2.810) 5.887 30.674 ( -3.008 0.000 16.893) 17.159 31.086 ( 12.364 0.000 1.188) 12.421 31.222 ( 9.357 0.000 19.002) 21.181 31.466 ( -4.875 0.000 -7.435) 8.890 31.505 ( -6.035 0.000 23.911) 24.661 32.062 ( 21.471 0.000 -12.230) 24.709 32.707 ( 8.236 0.000 4.504) 9.387 32.783 ( -12.213 0.000 -12.327) 17.352 32.957 ( -5.236 0.000 9.829) 11.137 33.102 ( 10.976 0.000 4.402) 11.826 33.434 ( 12.396 0.000 -1.135) 12.448 33.582 ( -6.635 0.000 1.449) 6.792 33.937 ( -7.683 0.000 -4.650) 8.981 34.714 ( 13.089 0.000 11.698) 17.554 35.328 ( -14.809 0.000 11.803) 18.937 35.352 ( 30.756 0.000 -1.663) 30.801 36.027 ( 2.776 0.000 3.245) 4.271 36.156 ( -3.111 0.000 0.629) 3.174 36.348 ( -13.107 0.000 -5.444) 14.192 37.195 ( 11.472 0.000 -5.872) 12.888 38.180 ( -28.926 0.000 -27.604) 39.984 ======================= Grid point 73 (28/84) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -13.313 0.000 3.786) 13.841 2.480 ( 13.313 0.000 3.786) 13.841 2.758 ( -10.155 0.000 7.160) 12.425 2.758 ( 10.155 0.000 7.160) 12.425 2.962 ( -3.777 0.000 5.724) 6.857 2.962 ( 3.777 0.000 5.724) 6.857 3.179 ( -5.232 0.000 2.675) 5.876 3.179 ( 5.232 0.000 2.675) 5.876 3.361 ( -6.960 0.000 -4.153) 8.105 3.361 ( 6.960 0.000 -4.153) 8.105 3.585 ( -7.157 0.000 4.556) 8.485 3.585 ( 7.157 0.000 4.556) 8.485 4.943 ( -23.775 0.000 18.072) 29.864 4.943 ( 23.775 0.000 18.072) 29.864 5.350 ( -13.085 0.000 30.464) 33.155 5.350 ( 13.085 0.000 30.464) 33.155 5.961 ( -23.583 0.000 -1.224) 23.614 5.961 ( 23.583 0.000 -1.224) 23.614 6.424 ( -14.703 0.000 34.812) 37.790 6.424 ( 14.703 0.000 34.812) 37.790 6.785 ( -8.355 0.000 13.127) 15.561 6.785 ( 8.355 0.000 13.127) 15.561 6.938 ( -35.506 0.000 8.206) 36.442 6.938 ( 35.506 0.000 8.206) 36.442 7.024 ( -10.123 0.000 -6.801) 12.196 7.024 ( 10.123 0.000 -6.801) 12.196 8.027 ( -7.321 0.000 7.424) 10.426 8.027 ( 7.321 0.000 7.424) 10.426 8.250 ( -20.554 0.000 22.674) 30.604 8.250 ( 20.554 0.000 22.674) 30.604 8.360 ( -35.240 0.000 25.668) 43.597 8.360 ( 35.240 0.000 25.668) 43.597 8.963 ( -4.382 0.000 4.268) 6.117 8.963 ( 4.382 0.000 4.268) 6.117 9.670 ( -29.800 0.000 -8.908) 31.103 9.670 ( 29.800 0.000 -8.908) 31.103 10.081 ( -24.697 0.000 5.219) 25.242 10.081 ( 24.697 0.000 5.219) 25.242 10.334 ( -11.013 0.000 -1.158) 11.073 10.334 ( 11.013 0.000 -1.158) 11.073 11.251 ( -16.044 0.000 -5.618) 16.999 11.251 ( 16.044 0.000 -5.618) 16.999 11.657 ( -10.262 0.000 2.048) 10.465 11.657 ( 10.262 0.000 2.048) 10.465 12.175 ( -12.812 0.000 -3.933) 13.402 12.175 ( 12.812 0.000 -3.933) 13.402 12.385 ( -18.905 0.000 0.156) 18.906 12.385 ( 18.905 0.000 0.156) 18.906 13.031 ( -8.560 0.000 -5.007) 9.917 13.031 ( 8.560 0.000 -5.007) 9.917 13.279 ( -12.542 0.000 2.548) 12.799 13.279 ( 12.542 0.000 2.548) 12.799 14.142 ( -7.812 0.000 -8.656) 11.660 14.142 ( 7.812 0.000 -8.656) 11.660 14.693 ( -5.088 0.000 3.358) 6.096 14.693 ( 5.088 0.000 3.358) 6.096 14.750 ( -13.541 0.000 5.261) 14.527 14.750 ( 13.541 0.000 5.261) 14.527 15.277 ( -15.806 0.000 -2.786) 16.050 15.277 ( 15.806 0.000 -2.786) 16.050 16.179 ( -7.824 0.000 12.376) 14.641 16.179 ( 7.824 0.000 12.376) 14.641 16.589 ( -8.173 0.000 6.001) 10.140 16.589 ( 8.173 0.000 6.001) 10.140 16.671 ( -10.637 0.000 -4.303) 11.475 16.671 ( 10.637 0.000 -4.303) 11.475 17.247 ( -15.960 0.000 -17.591) 23.753 17.247 ( 15.960 0.000 -17.591) 23.753 17.937 ( -2.570 0.000 -1.185) 2.830 17.937 ( 2.570 0.000 -1.185) 2.830 17.990 ( -11.923 0.000 -13.901) 18.314 17.990 ( 11.923 0.000 -13.901) 18.314 18.652 ( -4.350 0.000 -8.497) 9.546 18.652 ( 4.350 0.000 -8.497) 9.546 18.980 ( -12.574 0.000 4.773) 13.449 18.980 ( 12.574 0.000 4.773) 13.449 19.325 ( -6.513 0.000 -10.877) 12.677 19.325 ( 6.513 0.000 -10.877) 12.677 19.640 ( -12.337 0.000 -0.269) 12.340 19.640 ( 12.337 0.000 -0.269) 12.340 20.416 ( -4.914 0.000 -7.475) 8.946 20.416 ( 4.914 0.000 -7.475) 8.946 20.436 ( -6.330 0.000 -6.900) 9.364 20.436 ( 6.330 0.000 -6.900) 9.364 21.427 ( -10.499 0.000 -11.150) 15.315 21.427 ( 10.499 0.000 -11.150) 15.315 21.481 ( -17.129 0.000 -20.819) 26.960 21.481 ( 17.129 0.000 -20.819) 26.960 21.868 ( -6.240 0.000 -3.937) 7.378 21.868 ( 6.240 0.000 -3.937) 7.378 21.961 ( -12.471 0.000 -5.658) 13.695 21.961 ( 12.471 0.000 -5.658) 13.695 22.843 ( -7.116 0.000 2.480) 7.536 22.843 ( 7.116 0.000 2.480) 7.536 22.962 ( -11.320 0.000 0.010) 11.320 22.962 ( 11.320 0.000 0.010) 11.320 23.732 ( -27.236 0.000 12.794) 30.091 23.732 ( 27.236 0.000 12.794) 30.091 23.820 ( -3.763 0.000 16.121) 16.554 23.820 ( 3.763 0.000 16.121) 16.554 25.459 ( -1.823 0.000 -17.410) 17.505 25.459 ( 1.823 0.000 -17.410) 17.505 25.473 ( -11.762 0.000 -19.617) 22.873 25.473 ( 11.762 0.000 -19.617) 22.873 26.051 ( -15.872 0.000 -18.156) 24.116 26.051 ( 15.872 0.000 -18.156) 24.116 26.175 ( -10.226 0.000 -5.430) 11.578 26.175 ( 10.226 0.000 -5.430) 11.578 27.733 ( -11.869 0.000 -5.064) 12.904 27.733 ( 11.869 0.000 -5.064) 12.904 28.021 ( -2.564 0.000 -3.055) 3.989 28.021 ( 2.564 0.000 -3.055) 3.989 28.654 ( -7.936 0.000 18.563) 20.188 28.654 ( 7.936 0.000 18.563) 20.188 29.216 ( -6.571 0.000 22.332) 23.278 29.216 ( 6.571 0.000 22.332) 23.278 29.359 ( -8.694 0.000 9.978) 13.234 29.359 ( 8.694 0.000 9.978) 13.234 29.911 ( -11.031 0.000 12.102) 16.375 29.911 ( 11.031 0.000 12.102) 16.375 29.939 ( -6.371 0.000 2.963) 7.026 29.939 ( 6.371 0.000 2.963) 7.026 30.598 ( -4.456 0.000 10.408) 11.321 30.598 ( 4.456 0.000 10.408) 11.321 31.316 ( -11.082 0.000 -3.025) 11.487 31.316 ( 11.082 0.000 -3.025) 11.487 31.378 ( -7.640 0.000 22.289) 23.562 31.378 ( 7.640 0.000 22.289) 23.562 32.457 ( -20.481 0.000 -11.529) 23.504 32.457 ( 20.481 0.000 -11.529) 23.504 32.844 ( -6.771 0.000 6.500) 9.386 32.844 ( 6.771 0.000 6.500) 9.386 33.373 ( -14.745 0.000 1.735) 14.846 33.373 ( 14.745 0.000 1.735) 14.846 33.699 ( -15.294 0.000 -2.689) 15.529 33.699 ( 15.294 0.000 -2.689) 15.529 35.015 ( -17.959 0.000 11.447) 21.297 35.015 ( 17.959 0.000 11.447) 21.297 35.928 ( -28.942 0.000 -2.995) 29.096 35.928 ( 28.942 0.000 -2.995) 29.096 36.091 ( -3.760 0.000 2.336) 4.426 36.091 ( 3.760 0.000 2.336) 4.426 37.618 ( -29.660 0.000 -17.222) 34.298 37.618 ( 29.660 0.000 -17.222) 34.298 ======================= Grid point 77 (29/84) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 0.000 8.463 34.064) 35.100 2.012 ( 0.000 17.426 31.539) 36.033 2.624 ( 0.000 -0.036 5.248) 5.248 2.789 ( 0.000 -0.808 4.369) 4.443 2.838 ( 0.000 4.307 8.829) 9.823 2.986 ( 0.000 -11.281 -0.013) 11.281 3.051 ( 0.000 13.451 21.174) 25.085 3.170 ( 0.000 0.108 1.216) 1.221 3.172 ( 0.000 4.409 11.853) 12.646 3.455 ( 0.000 2.690 -0.735) 2.788 3.623 ( 0.000 -2.027 -7.653) 7.917 3.642 ( 0.000 -1.486 -4.965) 5.183 4.557 ( 0.000 2.080 20.972) 21.075 4.626 ( 0.000 14.608 7.852) 16.585 5.181 ( 0.000 -4.504 13.662) 14.385 5.390 ( 0.000 -20.091 28.299) 34.706 5.677 ( 0.000 13.762 17.286) 22.095 5.761 ( 0.000 -4.875 38.296) 38.605 5.969 ( 0.000 -1.644 11.680) 11.795 6.377 ( 0.000 13.872 16.988) 21.933 6.385 ( 0.000 -11.176 34.060) 35.847 6.477 ( 0.000 13.227 15.777) 20.588 6.841 ( 0.000 -2.213 2.621) 3.430 6.933 ( 0.000 -6.962 19.214) 20.436 7.181 ( 0.000 -15.307 -1.033) 15.342 7.401 ( 0.000 -1.653 0.802) 1.837 7.570 ( 0.000 -10.346 2.999) 10.772 7.825 ( 0.000 -22.898 3.274) 23.131 8.101 ( 0.000 9.983 14.360) 17.489 8.484 ( 0.000 1.978 -7.206) 7.473 8.538 ( 0.000 7.930 12.750) 15.015 8.802 ( 0.000 11.819 -0.558) 11.832 9.019 ( 0.000 -2.263 7.369) 7.709 9.392 ( 0.000 8.131 -5.470) 9.800 9.876 ( 0.000 -4.474 -0.264) 4.482 9.901 ( 0.000 -16.083 0.703) 16.098 10.059 ( 0.000 15.087 3.598) 15.510 10.384 ( 0.000 10.475 10.523) 14.848 10.572 ( 0.000 12.646 -3.477) 13.116 11.219 ( 0.000 -5.178 2.041) 5.566 11.271 ( 0.000 -4.152 0.503) 4.182 11.394 ( 0.000 -0.256 -6.607) 6.612 11.661 ( 0.000 -3.529 1.033) 3.677 11.805 ( 0.000 -15.582 10.271) 18.663 11.924 ( 0.000 -1.901 -1.392) 2.356 11.986 ( 0.000 3.095 12.096) 12.486 12.447 ( 0.000 -18.744 -11.077) 21.773 12.483 ( 0.000 15.919 -1.220) 15.965 12.992 ( 0.000 -3.471 4.992) 6.080 13.246 ( 0.000 -16.750 4.291) 17.291 13.271 ( 0.000 2.874 -6.520) 7.125 13.498 ( 0.000 8.143 -4.598) 9.352 13.812 ( 0.000 16.524 0.465) 16.531 14.015 ( 0.000 -1.916 -0.357) 1.949 14.185 ( 0.000 6.837 7.591) 10.216 14.339 ( 0.000 -3.925 2.368) 4.584 14.539 ( 0.000 -21.196 3.653) 21.509 14.791 ( 0.000 29.184 -2.508) 29.292 15.677 ( 0.000 18.256 -2.595) 18.439 15.796 ( 0.000 -17.689 -4.847) 18.341 16.179 ( 0.000 5.446 -10.072) 11.450 16.209 ( 0.000 -5.115 -4.131) 6.575 16.300 ( 0.000 4.524 -7.794) 9.012 16.355 ( 0.000 0.484 -3.226) 3.262 16.911 ( 0.000 1.500 -2.235) 2.692 17.012 ( 0.000 -12.793 11.500) 17.202 17.265 ( 0.000 -5.386 -1.995) 5.743 17.327 ( 0.000 2.511 7.002) 7.439 17.804 ( 0.000 -6.603 8.455) 10.728 17.920 ( 0.000 -12.867 -5.133) 13.853 18.036 ( 0.000 2.387 1.339) 2.737 18.185 ( 0.000 6.263 -6.493) 9.022 18.456 ( 0.000 -2.100 -19.777) 19.888 18.625 ( 0.000 11.455 -20.674) 23.635 18.747 ( 0.000 -7.317 0.898) 7.372 18.857 ( 0.000 -2.081 -18.789) 18.903 19.155 ( 0.000 5.180 -8.820) 10.229 19.310 ( 0.000 9.816 -11.881) 15.412 19.862 ( 0.000 -8.972 -5.695) 10.627 20.009 ( 0.000 -8.442 -4.504) 9.569 20.175 ( 0.000 3.233 3.421) 4.707 20.269 ( 0.000 -6.826 -0.185) 6.828 20.474 ( 0.000 6.067 -2.395) 6.522 20.676 ( 0.000 10.805 4.464) 11.691 20.739 ( 0.000 1.046 -7.010) 7.087 20.821 ( 0.000 -0.323 -6.037) 6.045 21.445 ( 0.000 1.676 -4.883) 5.163 21.571 ( 0.000 -5.012 2.406) 5.560 21.844 ( 0.000 2.784 -18.480) 18.688 21.937 ( 0.000 -0.478 -28.734) 28.738 22.170 ( 0.000 -2.349 -6.796) 7.191 22.463 ( 0.000 -7.075 -18.518) 19.824 22.623 ( 0.000 5.991 11.726) 13.168 22.850 ( 0.000 5.808 -9.793) 11.386 22.895 ( 0.000 1.481 -11.998) 12.090 23.270 ( 0.000 -2.551 -0.342) 2.574 23.300 ( 0.000 1.152 3.783) 3.954 23.436 ( 0.000 -5.114 13.074) 14.039 23.673 ( 0.000 7.479 16.599) 18.206 24.665 ( 0.000 -20.144 13.096) 24.027 25.039 ( 0.000 -3.009 -18.466) 18.709 25.222 ( 0.000 -3.891 -23.273) 23.596 25.494 ( 0.000 -9.139 -24.001) 25.682 25.511 ( 0.000 2.492 -4.918) 5.514 26.123 ( 0.000 15.279 -7.207) 16.894 26.258 ( 0.000 16.658 -20.787) 26.639 26.631 ( 0.000 2.284 -11.399) 11.626 27.163 ( 0.000 -9.895 -5.388) 11.267 27.169 ( 0.000 -34.310 20.533) 39.985 27.530 ( 0.000 -16.037 5.633) 16.998 27.997 ( 0.000 0.836 -9.121) 9.159 28.307 ( 0.000 4.297 19.358) 19.829 28.443 ( 0.000 -3.595 1.685) 3.970 28.589 ( 0.000 1.168 18.818) 18.855 28.810 ( 0.000 -1.637 19.408) 19.477 29.333 ( 0.000 -2.433 19.129) 19.284 29.485 ( 0.000 -2.447 13.203) 13.428 29.663 ( 0.000 3.717 18.363) 18.735 29.898 ( 0.000 0.936 4.045) 4.152 30.008 ( 0.000 -3.421 20.524) 20.807 30.074 ( 0.000 -5.127 5.092) 7.226 30.166 ( 0.000 -10.708 7.330) 12.976 30.231 ( 0.000 2.757 8.640) 9.070 30.564 ( 0.000 -0.507 10.278) 10.290 30.913 ( 0.000 5.235 -1.800) 5.536 30.928 ( 0.000 8.398 -13.635) 16.014 31.628 ( 0.000 7.104 -7.919) 10.639 31.650 ( 0.000 6.165 11.661) 13.191 31.852 ( 0.000 23.923 -3.357) 24.158 32.344 ( 0.000 -3.325 13.553) 13.955 32.701 ( 0.000 5.074 -1.910) 5.421 33.032 ( 0.000 -4.171 9.552) 10.423 33.180 ( 0.000 1.047 27.865) 27.884 33.425 ( 0.000 -3.079 13.523) 13.869 33.426 ( 0.000 4.095 -8.057) 9.038 33.622 ( 0.000 -3.149 -6.021) 6.795 34.568 ( 0.000 2.692 7.166) 7.655 34.852 ( 0.000 -6.760 0.409) 6.772 35.699 ( 0.000 10.525 16.304) 19.406 36.037 ( 0.000 3.759 0.099) 3.761 36.237 ( 0.000 -0.588 3.493) 3.542 36.245 ( 0.000 -1.652 -2.455) 2.959 37.656 ( 0.000 23.152 -29.732) 37.683 38.708 ( 0.000 -7.764 -38.300) 39.079 ======================= Grid point 78 (30/84) ======================= q-point: ( 0.17 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 10.325 11.714 23.231) 27.991 2.136 ( 14.106 8.716 29.505) 33.845 2.670 ( 4.289 -0.757 5.090) 6.699 2.793 ( 0.318 0.773 3.446) 3.546 2.869 ( 2.146 2.227 4.333) 5.323 2.974 ( -1.515 -10.000 0.578) 10.131 3.096 ( 0.362 0.639 8.037) 8.070 3.155 ( -0.825 -2.202 1.138) 2.612 3.226 ( 9.085 12.980 20.251) 25.712 3.433 ( -2.189 2.986 0.657) 3.760 3.597 ( -3.192 0.285 -6.596) 7.333 3.640 ( 0.093 -2.629 -3.649) 4.498 4.652 ( 4.027 14.827 9.270) 17.944 4.747 ( 17.649 2.854 21.401) 27.886 5.237 ( 5.207 -6.042 14.007) 16.119 5.507 ( 11.311 -12.037 25.044) 30.000 5.764 ( 9.481 9.019 17.147) 21.570 5.860 ( 8.599 2.151 33.793) 34.936 6.060 ( 3.668 -3.620 4.536) 6.865 6.297 ( -2.930 6.925 32.147) 33.014 6.371 ( 1.008 -0.268 23.187) 23.211 6.505 ( 0.543 -2.497 23.075) 23.216 6.793 ( -5.077 -6.555 5.006) 9.685 6.995 ( 8.274 -2.714 16.405) 18.573 7.114 ( -3.816 -5.594 7.510) 10.112 7.324 ( -5.343 -0.412 1.257) 5.505 7.618 ( 3.238 -10.557 1.249) 11.113 7.895 ( 5.667 -18.734 -1.404) 19.623 8.036 ( -6.913 2.062 11.809) 13.838 8.233 ( -16.319 1.057 3.678) 16.762 8.600 ( -2.098 13.835 -3.040) 14.320 8.932 ( 10.866 6.942 0.810) 12.920 9.026 ( 7.585 5.778 17.197) 19.663 9.517 ( 0.596 3.494 -2.539) 4.360 9.624 ( -18.286 0.842 4.830) 18.931 9.810 ( -1.543 -2.662 7.655) 8.250 10.071 ( -5.985 4.053 -2.624) 7.690 10.460 ( 2.052 1.176 2.291) 3.293 10.579 ( -0.353 8.300 -1.796) 8.500 11.045 ( -18.172 -3.145 2.635) 18.630 11.116 ( -11.821 3.141 -2.006) 12.394 11.472 ( -7.765 1.133 -1.108) 7.925 11.512 ( -9.246 -14.273 6.807) 18.317 11.688 ( 5.649 3.232 1.293) 6.636 11.766 ( -2.201 -12.990 4.923) 14.065 12.299 ( 2.361 2.457 -3.150) 4.641 12.337 ( -7.778 -6.629 -5.589) 11.648 12.525 ( 13.248 -0.610 -0.623) 13.276 12.930 ( -4.355 -0.734 3.944) 5.921 13.083 ( -8.541 -3.460 -0.861) 9.255 13.389 ( 2.655 -3.831 0.480) 4.685 13.558 ( 1.465 11.308 -6.011) 12.890 13.838 ( 3.349 4.861 -2.257) 6.319 14.077 ( 5.669 -5.957 -0.554) 8.242 14.270 ( 9.152 5.133 6.942) 12.582 14.354 ( 0.824 -5.039 1.298) 5.269 14.539 ( 0.421 -16.923 2.949) 17.183 14.857 ( 7.529 29.328 -0.722) 30.288 15.570 ( -7.775 17.454 -4.858) 19.716 15.840 ( 3.580 -17.888 -4.386) 18.763 16.036 ( -12.613 7.905 1.895) 15.005 16.195 ( 0.161 -5.664 -0.559) 5.694 16.386 ( 3.187 -1.059 -3.091) 4.565 16.518 ( 15.981 4.210 -15.844) 22.894 16.750 ( -12.011 -1.236 7.033) 13.973 16.996 ( -6.075 -0.523 4.408) 7.524 17.259 ( 0.147 -6.438 -0.611) 6.469 17.333 ( -2.039 -0.108 3.407) 3.972 17.759 ( -1.004 -3.415 2.335) 4.257 17.851 ( 0.370 -8.814 -1.304) 8.917 18.076 ( -8.005 4.826 -16.866) 19.283 18.242 ( 12.085 -4.574 2.548) 13.171 18.421 ( -8.141 6.738 -15.958) 19.140 18.676 ( 11.761 -5.231 -9.979) 16.287 18.794 ( -3.662 -1.686 -10.060) 10.838 18.900 ( 7.410 2.598 -12.661) 14.899 19.109 ( -1.962 0.783 -8.308) 8.572 19.394 ( 6.259 8.473 -9.678) 14.306 19.784 ( -11.702 0.911 3.493) 12.246 19.876 ( -6.342 -5.599 -5.121) 9.889 20.120 ( 1.138 -5.879 -7.099) 9.287 20.394 ( 3.423 -6.621 -2.211) 7.774 20.559 ( 3.248 11.687 -2.472) 12.379 20.690 ( -0.132 8.209 -2.765) 8.663 20.770 ( 10.595 -2.761 -1.145) 11.009 20.935 ( 11.199 1.025 -5.673) 12.596 21.485 ( 3.776 2.276 -6.431) 7.797 21.580 ( 2.134 -2.879 -0.479) 3.616 21.834 ( -1.059 2.104 -16.089) 16.261 21.914 ( -3.479 -1.561 -26.567) 26.839 22.118 ( -5.162 -2.310 -6.327) 8.486 22.368 ( -9.821 -8.080 -15.754) 20.246 22.657 ( 4.771 7.373 5.881) 10.570 22.808 ( -2.428 5.002 -6.432) 8.502 22.992 ( 8.149 -0.621 -4.375) 9.270 23.191 ( -6.648 0.370 3.326) 7.443 23.264 ( -3.460 -1.069 1.889) 4.085 23.514 ( 6.933 -5.631 13.877) 16.503 23.762 ( 7.233 7.084 15.935) 18.879 24.560 ( -12.976 -14.091 10.070) 21.641 25.072 ( 3.412 -3.312 -19.201) 19.781 25.328 ( 8.995 -5.200 -25.329) 27.377 25.470 ( 0.993 -4.537 -19.126) 19.682 25.569 ( 4.275 -0.416 -9.872) 10.766 26.114 ( -0.790 13.471 -6.954) 15.181 26.154 ( -9.445 16.915 -19.459) 27.458 26.584 ( -7.730 -3.647 -5.406) 10.114 26.732 ( -21.277 -7.198 1.914) 22.543 27.451 ( -0.875 -11.389 -0.022) 11.423 27.538 ( 12.757 -22.798 2.005) 26.202 28.005 ( -2.375 -5.204 -12.208) 13.482 28.266 ( -6.198 -0.222 9.585) 11.417 28.450 ( 4.410 5.308 13.146) 14.847 28.604 ( 1.602 -3.051 19.182) 19.489 28.810 ( 1.503 -6.751 22.188) 23.241 29.343 ( 0.657 -2.634 20.702) 20.880 29.465 ( -6.646 -1.052 12.060) 13.810 29.672 ( -2.649 3.945 11.051) 12.029 29.685 ( -7.494 0.812 12.274) 14.403 29.850 ( -8.968 -0.146 11.701) 14.743 30.067 ( -2.040 -5.367 5.138) 7.705 30.217 ( -0.535 4.522 9.778) 10.787 30.266 ( 6.699 -10.192 10.430) 16.048 30.607 ( 1.575 -6.590 17.230) 18.514 30.999 ( 9.557 10.081 -1.977) 14.031 31.149 ( 15.129 9.496 -6.679) 19.070 31.635 ( -1.152 6.385 8.122) 10.395 31.747 ( 9.645 9.102 -0.375) 13.267 31.793 ( -2.855 16.389 -3.569) 17.015 32.465 ( 9.523 -6.190 5.675) 12.697 32.787 ( 8.024 4.464 -4.489) 10.221 32.992 ( -4.581 -3.780 15.091) 16.218 33.162 ( -11.505 -1.889 3.441) 12.156 33.220 ( 4.022 -3.410 6.750) 8.566 33.613 ( 6.196 2.349 1.862) 6.883 33.831 ( 14.377 -2.810 -2.722) 14.900 34.594 ( 4.196 3.184 8.975) 10.406 34.901 ( 8.436 -5.820 2.881) 10.646 35.633 ( -7.432 10.016 13.589) 18.445 36.024 ( -0.842 1.969 2.154) 3.037 36.224 ( -1.348 0.720 0.528) 1.617 36.382 ( 13.247 1.435 -3.516) 13.780 37.456 ( -18.626 20.364 -20.879) 34.605 38.539 ( -17.871 -8.720 -35.650) 40.820 ======================= Grid point 79 (31/84) ======================= q-point: ( 0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 12.442 9.791 10.100) 18.780 2.463 ( 18.468 1.125 18.836) 26.403 2.708 ( -4.189 2.734 2.403) 5.550 2.800 ( 1.550 -1.961 2.365) 3.442 2.907 ( 1.928 2.616 4.352) 5.432 2.950 ( 0.086 -7.163 4.837) 8.644 3.061 ( -2.343 -5.664 4.068) 7.356 3.141 ( -1.544 -7.185 0.739) 7.386 3.380 ( 0.022 5.761 -0.249) 5.766 3.442 ( 7.416 5.163 10.963) 14.207 3.520 ( -3.819 2.265 -3.391) 5.587 3.632 ( -1.329 -2.490 -1.370) 3.137 4.779 ( 10.649 16.238 13.284) 23.528 5.113 ( 18.315 3.363 27.832) 33.487 5.319 ( -1.530 -2.144 15.533) 15.755 5.669 ( 4.905 7.774 5.305) 10.613 5.739 ( -12.145 8.562 24.441) 28.603 6.061 ( 13.041 -6.295 33.545) 36.537 6.198 ( 22.482 -1.296 15.599) 27.395 6.353 ( -7.992 -2.318 1.694) 8.492 6.454 ( 0.853 -10.272 28.670) 30.466 6.548 ( 11.209 -4.749 26.011) 28.719 6.757 ( 8.719 -3.461 7.559) 12.047 6.942 ( -6.153 -2.530 6.582) 9.358 7.105 ( -5.987 -1.658 -0.552) 6.237 7.434 ( -1.474 -2.244 18.983) 19.172 7.708 ( 13.947 3.709 11.717) 18.590 7.866 ( 2.687 -5.134 3.286) 6.662 7.959 ( -9.332 -7.839 2.628) 12.467 8.059 ( 9.455 -8.830 5.886) 14.213 8.591 ( 0.791 13.664 13.727) 19.384 9.001 ( -14.056 8.862 15.579) 22.778 9.159 ( -0.412 9.536 10.975) 14.545 9.312 ( -16.605 8.354 5.629) 19.421 9.374 ( -1.464 8.010 -2.415) 8.493 9.798 ( -0.046 -1.808 9.767) 9.933 10.054 ( 9.844 -4.309 -7.422) 13.060 10.214 ( -25.407 -8.487 0.103) 26.787 10.496 ( -12.263 4.460 -4.370) 13.761 10.628 ( -24.756 -1.413 6.634) 25.668 10.988 ( 4.178 5.890 -6.309) 9.589 11.296 ( -9.641 -13.567 -0.534) 16.652 11.519 ( 11.132 0.599 3.896) 11.809 11.732 ( 1.529 -14.047 2.116) 14.288 11.958 ( 9.309 -8.513 -4.880) 13.526 12.173 ( -8.620 8.620 -4.408) 12.963 12.205 ( -2.130 -0.469 -1.807) 2.832 12.774 ( -14.196 4.853 -0.599) 15.015 12.855 ( 14.760 -4.317 2.662) 15.607 13.065 ( 10.411 -2.317 -0.899) 10.704 13.331 ( -9.559 3.974 -2.164) 10.576 13.503 ( -5.256 11.210 -2.015) 12.544 13.917 ( 4.374 -5.002 -6.111) 9.027 14.115 ( -3.821 -14.140 -5.504) 15.647 14.375 ( 4.404 -9.927 -0.400) 10.867 14.465 ( 4.191 -16.361 4.425) 17.459 14.627 ( 13.819 12.721 5.590) 19.597 15.020 ( 6.315 22.330 3.012) 23.400 15.465 ( -2.454 21.199 -5.549) 22.050 15.749 ( -14.978 11.324 1.171) 18.814 15.928 ( 4.541 -17.551 3.228) 18.414 16.262 ( 1.955 -11.291 0.468) 11.469 16.337 ( -4.012 -2.581 4.744) 6.728 16.607 ( 0.753 9.718 6.478) 11.703 16.756 ( -0.504 -11.048 -12.045) 16.353 16.841 ( -7.395 6.921 5.691) 11.618 17.158 ( -0.589 9.081 -5.799) 10.791 17.380 ( 2.358 -6.118 -3.497) 7.431 17.835 ( 3.744 -4.408 1.583) 5.996 17.841 ( -0.254 -2.724 -9.581) 9.964 17.977 ( -0.745 4.303 -16.558) 17.124 18.221 ( -10.210 -1.530 -10.274) 14.565 18.467 ( 9.426 -1.629 -2.811) 9.970 18.697 ( -4.338 -2.674 -13.076) 14.034 18.927 ( 6.841 11.148 0.257) 13.083 18.998 ( 9.751 -12.632 -13.761) 21.071 19.105 ( -0.937 -3.788 -6.376) 7.475 19.448 ( -6.229 1.977 0.352) 6.545 19.578 ( -1.501 6.223 -2.088) 6.733 19.794 ( -5.709 -4.317 -2.619) 7.622 20.186 ( 6.695 -2.876 -10.209) 12.543 20.427 ( -0.123 -0.497 -6.598) 6.617 20.561 ( -0.827 9.111 -2.942) 9.610 20.649 ( -2.963 5.883 -5.714) 8.720 21.087 ( 19.402 -2.035 -7.004) 20.728 21.200 ( 15.992 1.635 -6.828) 17.465 21.547 ( 1.322 3.419 -10.924) 11.522 21.662 ( 3.367 -0.095 -13.266) 13.687 21.792 ( -5.932 -4.244 -14.786) 16.488 21.815 ( -0.895 -0.187 -7.956) 8.008 21.999 ( -7.402 -1.222 -5.682) 9.411 22.152 ( -12.767 -5.868 -10.737) 17.683 22.778 ( 7.508 2.245 -0.867) 7.885 22.790 ( 1.349 3.112 -2.014) 3.945 22.999 ( -7.731 -0.595 3.982) 8.717 23.121 ( -7.855 -3.513 0.629) 8.628 23.309 ( 16.679 2.616 8.346) 18.833 23.670 ( 9.297 -4.238 15.189) 18.306 23.854 ( 1.193 3.678 16.332) 16.784 24.202 ( -23.783 -5.511 12.393) 27.379 25.160 ( 5.856 -3.704 -20.537) 21.675 25.353 ( -3.386 -5.380 -22.811) 23.680 25.619 ( 7.953 7.978 -15.066) 18.812 25.691 ( 10.679 -8.871 -21.191) 25.333 25.965 ( -8.935 17.887 -14.007) 24.413 26.113 ( 0.278 6.965 -8.209) 10.769 26.323 ( -15.011 -2.732 -7.297) 16.913 26.445 ( -12.585 3.378 -4.861) 13.908 27.490 ( 5.603 -5.620 -6.192) 10.065 27.688 ( 1.268 -18.070 -1.681) 18.192 27.937 ( -1.490 -7.714 -11.889) 14.251 28.116 ( -8.243 -3.443 -0.347) 8.940 28.573 ( 5.760 8.126 14.580) 17.657 28.654 ( 3.131 -5.803 26.137) 26.956 28.869 ( 5.199 -15.653 20.144) 26.035 29.240 ( -11.574 -4.972 18.271) 22.193 29.367 ( 0.605 3.356 17.741) 18.066 29.514 ( -9.024 0.757 13.773) 16.483 29.727 ( 5.313 -5.484 10.482) 12.968 29.833 ( 3.412 2.455 6.788) 7.984 30.018 ( -1.984 -0.743 6.983) 7.297 30.169 ( -4.474 6.980 10.332) 13.247 30.394 ( 6.377 -9.925 10.741) 15.954 30.588 ( -3.274 -8.249 16.796) 18.997 31.213 ( 12.601 12.633 -1.370) 17.896 31.375 ( 9.367 12.422 4.635) 16.234 31.585 ( -4.532 9.036 6.939) 12.261 31.666 ( -6.925 16.142 8.896) 19.689 32.064 ( 19.533 0.570 -9.016) 21.521 32.624 ( 7.595 -8.754 4.689) 12.502 32.763 ( -13.836 -2.399 -7.639) 15.986 32.893 ( -7.304 -6.101 10.182) 13.937 33.128 ( 12.747 2.946 3.350) 13.505 33.395 ( 12.797 -3.924 -0.423) 13.391 33.614 ( -6.372 3.228 0.641) 7.172 33.896 ( -7.485 -4.249 -4.159) 9.559 34.774 ( 15.031 6.167 10.993) 19.616 35.250 ( 26.315 -8.600 3.264) 27.877 35.424 ( -14.439 9.326 10.285) 20.031 35.973 ( -6.769 -6.687 3.861) 10.268 36.235 ( 4.201 10.787 -0.534) 11.588 36.594 ( 1.457 17.992 -12.134) 21.750 37.183 ( -0.652 1.381 -8.530) 8.666 38.087 ( -29.461 -10.155 -27.865) 41.804 ======================= Grid point 80 (32/84) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -11.500 6.039 3.192) 13.375 2.539 ( 11.500 6.039 3.192) 13.375 2.742 ( -9.537 -1.311 6.948) 11.873 2.742 ( 9.537 -1.311 6.948) 11.873 2.947 ( -2.066 -1.989 5.834) 6.501 2.947 ( 2.066 -1.989 5.834) 6.501 3.077 ( -4.369 -8.715 2.746) 10.128 3.077 ( 4.369 -8.715 2.746) 10.128 3.412 ( -3.992 4.199 -0.758) 5.844 3.412 ( 3.992 4.199 -0.758) 5.844 3.583 ( -4.267 -0.480 1.956) 4.718 3.583 ( 4.267 -0.480 1.956) 4.718 5.054 ( -17.978 11.710 17.228) 27.516 5.054 ( 17.978 11.710 17.228) 27.516 5.437 ( -15.463 8.072 27.809) 32.827 5.437 ( 15.463 8.072 27.809) 32.827 5.998 ( -21.804 1.713 4.308) 22.291 5.998 ( 21.804 1.713 4.308) 22.291 6.312 ( -12.154 -12.018 27.315) 32.222 6.312 ( 12.154 -12.018 27.315) 32.222 6.663 ( -11.290 -8.863 19.131) 23.917 6.663 ( 11.290 -8.863 19.131) 23.917 6.869 ( -1.879 -0.450 1.075) 2.211 6.869 ( 1.879 -0.450 1.075) 2.211 7.129 ( -15.451 4.967 0.369) 16.234 7.129 ( 15.451 4.967 0.369) 16.234 7.820 ( -4.882 -17.483 10.154) 20.799 7.820 ( 4.882 -17.483 10.154) 20.799 8.356 ( -26.608 9.541 21.862) 35.734 8.356 ( 26.608 9.541 21.862) 35.734 8.498 ( -31.435 9.563 23.484) 40.387 8.498 ( 31.435 9.563 23.484) 40.387 9.068 ( -2.079 10.689 1.944) 11.061 9.068 ( 2.079 10.689 1.944) 11.061 9.642 ( -25.108 -3.235 -6.171) 26.057 9.642 ( 25.108 -3.235 -6.171) 26.057 10.107 ( -25.494 2.586 5.518) 26.212 10.107 ( 25.494 2.586 5.518) 26.212 10.313 ( -12.478 -2.353 -1.334) 12.768 10.313 ( 12.478 -2.353 -1.334) 12.768 11.130 ( -8.662 -8.022 -5.181) 12.893 11.130 ( 8.662 -8.022 -5.181) 12.893 11.737 ( -6.576 -7.372 1.661) 10.018 11.737 ( 6.576 -7.372 1.661) 10.018 11.976 ( -5.615 -0.735 -4.367) 7.151 11.976 ( 5.615 -0.735 -4.367) 7.151 12.458 ( -18.715 3.010 0.011) 18.956 12.458 ( 18.715 3.010 0.011) 18.956 13.092 ( -12.963 2.353 -1.771) 13.293 13.092 ( 12.963 2.353 -1.771) 13.293 13.339 ( -13.092 5.386 -0.426) 14.163 13.339 ( 13.092 5.386 -0.426) 14.163 14.007 ( -5.816 -10.751 -8.146) 14.689 14.007 ( 5.816 -10.751 -8.146) 14.689 14.456 ( -3.145 -16.117 1.806) 16.520 14.456 ( 3.145 -16.117 1.806) 16.520 14.940 ( -14.620 16.783 5.245) 22.868 14.940 ( 14.620 16.783 5.245) 22.868 15.524 ( -8.396 18.867 -1.840) 20.733 15.524 ( 8.396 18.867 -1.840) 20.733 16.068 ( -11.074 -11.699 7.724) 17.865 16.068 ( 11.074 -11.699 7.724) 17.865 16.537 ( -15.140 -10.994 -5.076) 19.387 16.537 ( 15.140 -10.994 -5.076) 19.387 16.702 ( -7.780 10.682 8.316) 15.614 16.702 ( 7.780 10.682 8.316) 15.614 17.309 ( -9.708 3.525 -11.668) 15.582 17.309 ( 9.708 3.525 -11.668) 15.582 17.851 ( -2.623 -4.115 -6.509) 8.135 17.851 ( 2.623 -4.115 -6.509) 8.135 18.052 ( -7.370 1.671 -10.323) 12.793 18.052 ( 7.370 1.671 -10.323) 12.793 18.606 ( -5.867 -2.114 -9.042) 10.984 18.606 ( 5.867 -2.114 -9.042) 10.984 19.018 ( -5.924 -1.027 -3.421) 6.918 19.018 ( 5.924 -1.027 -3.421) 6.918 19.246 ( -12.514 -2.518 -3.971) 13.369 19.246 ( 12.514 -2.518 -3.971) 13.369 19.666 ( -7.049 -0.782 -1.122) 7.181 19.666 ( 7.049 -0.782 -1.122) 7.181 20.341 ( -8.281 1.615 -10.833) 13.731 20.341 ( 8.281 1.615 -10.833) 13.731 20.589 ( -3.231 6.939 -3.906) 8.593 20.589 ( 3.231 6.939 -3.906) 8.593 21.415 ( -7.647 -0.841 -13.216) 15.292 21.415 ( 7.647 -0.841 -13.216) 15.292 21.499 ( -5.168 1.745 -15.641) 16.564 21.499 ( 5.168 1.745 -15.641) 16.564 21.864 ( -6.170 -0.718 -4.059) 7.420 21.864 ( 6.170 -0.718 -4.059) 7.420 21.915 ( -12.122 -4.285 -6.423) 14.372 21.915 ( 12.122 -4.285 -6.423) 14.372 22.856 ( -5.711 1.082 2.187) 6.210 22.856 ( 5.711 1.082 2.187) 6.210 22.947 ( -9.303 -1.495 -0.772) 9.454 22.947 ( 9.303 -1.495 -0.772) 9.454 23.697 ( -21.514 -1.567 12.758) 25.061 23.697 ( 21.514 -1.567 12.758) 25.061 23.840 ( -9.093 0.072 16.642) 18.964 23.840 ( 9.093 0.072 16.642) 18.964 25.269 ( -5.467 -4.013 -21.664) 22.701 25.269 ( 5.467 -4.013 -21.664) 22.701 25.742 ( -6.153 6.468 -15.824) 18.169 25.742 ( 6.153 6.468 -15.824) 18.169 25.997 ( -11.673 1.415 -16.878) 20.570 25.997 ( 11.673 1.415 -16.878) 20.570 26.253 ( -6.933 6.679 -5.678) 11.176 26.253 ( 6.933 6.679 -5.678) 11.176 27.615 ( -6.818 -9.715 -5.892) 13.251 27.615 ( 6.818 -9.715 -5.892) 13.251 27.986 ( -5.478 -6.654 -6.094) 10.555 27.986 ( 5.478 -6.654 -6.094) 10.555 28.651 ( -3.027 0.537 18.696) 18.947 28.651 ( 3.027 0.537 18.696) 18.947 29.031 ( -11.139 -13.105 21.328) 27.399 29.031 ( 11.139 -13.105 21.328) 27.399 29.400 ( -3.431 3.593 16.433) 17.168 29.400 ( 3.431 3.593 16.433) 17.168 29.828 ( -4.390 -7.448 6.628) 10.894 29.828 ( 4.390 -7.448 6.628) 10.894 30.062 ( -6.116 8.720 9.666) 14.383 30.062 ( 6.116 8.720 9.666) 14.383 30.503 ( -5.475 -8.458 13.569) 16.901 30.503 ( 5.475 -8.458 13.569) 16.901 31.427 ( -8.877 11.427 -3.168) 14.813 31.427 ( 8.877 11.427 -3.168) 14.813 31.542 ( -5.642 13.762 14.945) 21.085 31.542 ( 5.642 13.762 14.945) 21.085 32.435 ( -19.801 -2.019 -8.496) 21.641 32.435 ( 19.801 -2.019 -8.496) 21.641 32.759 ( -7.139 -8.668 7.585) 13.551 32.759 ( 7.139 -8.668 7.585) 13.551 33.405 ( -14.529 3.293 0.889) 14.924 33.405 ( 14.529 3.293 0.889) 14.924 33.665 ( -14.979 -3.529 -2.509) 15.592 33.665 ( 14.979 -3.529 -2.509) 15.592 35.100 ( -18.718 8.642 10.441) 23.110 35.100 ( 18.718 8.642 10.441) 23.110 35.724 ( -20.642 -12.507 3.369) 24.369 35.724 ( 20.642 -12.507 3.369) 24.369 36.401 ( -13.386 23.268 -6.156) 27.540 36.401 ( 13.386 23.268 -6.156) 27.540 37.523 ( -29.124 -10.323 -16.991) 35.263 37.523 ( 29.124 -10.323 -16.991) 35.263 ======================= Grid point 84 (33/84) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( 0.000 19.032 17.060) 25.559 2.362 ( 0.000 18.014 18.055) 25.505 2.586 ( 0.000 -6.082 7.853) 9.933 2.604 ( 0.000 -19.547 6.730) 20.673 2.876 ( 0.000 0.120 0.740) 0.750 2.886 ( 0.000 0.263 3.121) 3.132 3.132 ( 0.000 1.500 5.992) 6.177 3.160 ( 0.000 -1.241 3.403) 3.622 3.397 ( 0.000 12.139 9.379) 15.340 3.529 ( 0.000 5.213 2.117) 5.626 3.548 ( 0.000 -5.756 -2.225) 6.171 3.611 ( 0.000 -2.888 -0.423) 2.919 4.636 ( 0.000 7.195 25.518) 26.513 4.786 ( 0.000 -4.135 23.835) 24.191 5.167 ( 0.000 -0.114 22.807) 22.807 5.178 ( 0.000 1.790 19.924) 20.004 5.709 ( 0.000 0.015 39.142) 39.142 5.757 ( 0.000 -3.545 36.650) 36.821 6.018 ( 0.000 10.917 2.203) 11.137 6.290 ( 0.000 -5.918 10.549) 12.095 6.553 ( 0.000 -12.077 5.389) 13.225 6.650 ( 0.000 14.762 8.568) 17.068 6.687 ( 0.000 -15.604 25.728) 30.090 6.800 ( 0.000 11.220 1.485) 11.318 7.034 ( 0.000 0.978 12.605) 12.643 7.367 ( 0.000 -17.448 3.992) 17.898 7.445 ( 0.000 -5.823 0.074) 5.823 7.448 ( 0.000 -2.101 5.053) 5.473 8.273 ( 0.000 9.087 14.495) 17.108 8.423 ( 0.000 -6.789 3.628) 7.697 8.675 ( 0.000 6.761 9.505) 11.664 8.795 ( 0.000 -6.679 12.916) 14.541 9.225 ( 0.000 18.416 -8.647) 20.345 9.539 ( 0.000 -6.469 3.383) 7.300 9.616 ( 0.000 -1.261 -10.800) 10.873 9.764 ( 0.000 -7.647 -2.504) 8.047 10.399 ( 0.000 16.994 9.060) 19.258 10.531 ( 0.000 2.683 11.302) 11.616 10.793 ( 0.000 12.232 -1.052) 12.277 11.048 ( 0.000 -13.711 0.705) 13.729 11.253 ( 0.000 3.953 -0.220) 3.959 11.375 ( 0.000 -5.345 -5.365) 7.574 11.600 ( 0.000 -0.407 6.205) 6.218 11.678 ( 0.000 0.451 0.189) 0.489 11.863 ( 0.000 -0.146 -4.987) 4.989 12.053 ( 0.000 -9.593 -3.816) 10.324 12.112 ( 0.000 -0.657 5.181) 5.222 12.354 ( 0.000 -19.448 8.400) 21.185 13.162 ( 0.000 3.505 -1.247) 3.720 13.227 ( 0.000 -4.092 -2.985) 5.065 13.289 ( 0.000 30.196 3.059) 30.351 13.710 ( 0.000 11.987 -6.336) 13.559 13.889 ( 0.000 -31.058 2.969) 31.200 13.905 ( 0.000 -8.985 -3.854) 9.777 14.096 ( 0.000 9.551 1.398) 9.653 14.239 ( 0.000 -6.533 3.664) 7.490 14.646 ( 0.000 27.485 2.775) 27.625 15.111 ( 0.000 -11.497 -7.536) 13.746 15.599 ( 0.000 11.566 3.080) 11.969 15.929 ( 0.000 -9.017 -2.393) 9.329 16.078 ( 0.000 8.939 3.710) 9.679 16.245 ( 0.000 0.111 -6.538) 6.539 16.360 ( 0.000 -0.400 -5.816) 5.830 16.375 ( 0.000 -1.085 -9.718) 9.778 16.816 ( 0.000 -4.436 6.258) 7.671 16.866 ( 0.000 -5.786 -0.404) 5.800 17.236 ( 0.000 3.585 -2.331) 4.276 17.326 ( 0.000 -3.465 1.085) 3.631 17.718 ( 0.000 -2.380 7.017) 7.410 17.739 ( 0.000 -5.630 1.007) 5.720 18.146 ( 0.000 9.185 -6.852) 11.459 18.334 ( 0.000 -10.090 -14.319) 17.517 18.337 ( 0.000 10.519 -0.370) 10.526 18.555 ( 0.000 -12.575 4.334) 13.301 18.790 ( 0.000 5.608 -19.761) 20.542 18.839 ( 0.000 -0.714 -19.900) 19.912 19.299 ( 0.000 9.827 -8.261) 12.838 19.425 ( 0.000 -0.472 -11.841) 11.850 19.747 ( 0.000 -0.857 -11.169) 11.202 19.841 ( 0.000 -8.775 -12.805) 15.523 20.191 ( 0.000 -0.614 2.286) 2.367 20.194 ( 0.000 -1.722 1.048) 2.016 20.603 ( 0.000 7.481 2.313) 7.830 20.724 ( 0.000 -4.816 1.979) 5.207 20.818 ( 0.000 4.232 1.802) 4.600 20.830 ( 0.000 1.880 -6.498) 6.765 21.474 ( 0.000 1.211 -4.706) 4.859 21.498 ( 0.000 -2.272 -0.082) 2.274 21.885 ( 0.000 2.002 -19.487) 19.590 21.921 ( 0.000 -1.610 -23.490) 23.546 22.162 ( 0.000 3.000 -10.504) 10.924 22.287 ( 0.000 -9.755 -13.578) 16.719 22.853 ( 0.000 16.071 8.846) 18.345 22.925 ( 0.000 1.332 -11.073) 11.153 22.925 ( 0.000 2.335 -11.076) 11.319 23.141 ( 0.000 -12.845 6.010) 14.182 23.317 ( 0.000 0.863 4.188) 4.276 23.345 ( 0.000 -2.937 6.136) 6.803 23.885 ( 0.000 15.702 22.776) 27.664 24.241 ( 0.000 -23.127 26.222) 34.964 25.052 ( 0.000 4.047 -21.779) 22.151 25.146 ( 0.000 -4.905 -21.176) 21.737 25.388 ( 0.000 -1.067 -19.854) 19.883 25.455 ( 0.000 -6.448 -10.083) 11.968 26.443 ( 0.000 13.913 -9.702) 16.962 26.491 ( 0.000 6.427 -19.103) 20.155 26.641 ( 0.000 6.594 -8.199) 10.522 26.914 ( 0.000 -16.711 -6.552) 17.950 27.014 ( 0.000 8.679 4.087) 9.593 27.241 ( 0.000 -14.745 2.947) 15.037 28.011 ( 0.000 2.149 -9.438) 9.680 28.159 ( 0.000 -15.084 -0.239) 15.085 28.430 ( 0.000 9.093 25.259) 26.846 28.603 ( 0.000 -8.380 26.627) 27.914 28.964 ( 0.000 18.138 12.692) 22.137 29.246 ( 0.000 -9.717 21.055) 23.189 29.474 ( 0.000 1.654 16.442) 16.525 29.570 ( 0.000 -9.232 16.286) 18.720 29.916 ( 0.000 0.855 9.786) 9.824 29.954 ( 0.000 -4.655 11.551) 12.454 29.980 ( 0.000 0.704 16.988) 17.002 30.025 ( 0.000 -3.897 13.837) 14.375 30.340 ( 0.000 7.196 8.878) 11.428 30.477 ( 0.000 -7.313 11.727) 13.820 31.022 ( 0.000 4.726 -9.014) 10.178 31.047 ( 0.000 2.580 -15.241) 15.458 31.761 ( 0.000 5.358 -8.004) 9.632 31.762 ( 0.000 4.921 3.331) 5.943 32.152 ( 0.000 9.053 0.408) 9.062 32.265 ( 0.000 -5.097 12.248) 13.266 32.812 ( 0.000 6.735 1.476) 6.895 32.933 ( 0.000 -6.323 6.003) 8.719 33.231 ( 0.000 4.746 23.267) 23.746 33.338 ( 0.000 -6.135 17.906) 18.928 33.502 ( 0.000 3.784 -7.576) 8.468 33.562 ( 0.000 -3.173 -6.917) 7.610 34.631 ( 0.000 4.221 5.694) 7.088 34.726 ( 0.000 -6.374 3.233) 7.147 35.924 ( 0.000 13.162 14.936) 19.908 36.120 ( 0.000 4.800 -1.443) 5.012 36.140 ( 0.000 -9.576 11.457) 14.932 36.198 ( 0.000 -3.565 -2.490) 4.349 38.120 ( 0.000 24.575 -43.171) 49.676 38.493 ( 0.000 -16.134 -41.985) 44.978 ======================= Grid point 85 (34/84) ======================= q-point: ( 0.17 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 9.091 15.925 15.133) 23.775 2.415 ( 5.344 15.937 14.855) 22.433 2.622 ( 3.582 -6.095 7.056) 9.989 2.647 ( 4.345 -17.814 6.383) 19.415 2.860 ( -1.354 1.724 1.065) 2.437 2.899 ( 0.729 -1.591 2.247) 2.848 3.095 ( -3.676 0.614 5.641) 6.761 3.117 ( -3.870 -1.625 3.074) 5.202 3.451 ( 4.333 8.466 4.713) 10.614 3.496 ( -1.569 3.319 3.582) 5.129 3.581 ( 0.252 -2.928 -1.811) 3.452 3.592 ( -0.921 -1.479 0.151) 1.748 4.811 ( 17.094 6.156 23.760) 29.910 4.899 ( 10.897 2.278 21.793) 24.471 5.194 ( 6.132 6.018 18.731) 20.607 5.350 ( 13.674 -6.763 20.807) 25.800 5.807 ( 9.985 0.908 36.148) 37.512 5.865 ( 10.126 -4.017 31.723) 33.542 6.082 ( 3.086 7.136 7.136) 10.553 6.269 ( -1.067 -5.638 13.003) 14.213 6.487 ( -10.306 3.065 21.375) 23.927 6.532 ( -2.223 -9.823 3.637) 10.708 6.612 ( -2.995 9.926 9.864) 14.311 6.835 ( -1.252 -12.130 12.036) 17.134 7.143 ( 8.576 9.002 17.167) 21.197 7.357 ( -1.763 -3.128 8.340) 9.080 7.454 ( 4.941 -4.286 0.585) 6.567 7.557 ( 11.806 -14.333 1.231) 18.610 8.108 ( -14.438 5.022 8.324) 17.406 8.198 ( -17.871 -4.260 3.620) 18.725 8.827 ( 6.312 10.829 5.215) 13.576 8.970 ( 12.758 -3.970 11.978) 17.944 9.197 ( 4.182 12.644 3.569) 13.787 9.430 ( -9.548 -11.829 4.065) 15.735 9.679 ( 3.305 5.857 -8.639) 10.948 9.775 ( 2.965 -3.158 -3.663) 5.673 10.260 ( -16.701 13.366 7.296) 22.601 10.434 ( -13.410 -4.835 8.797) 16.751 10.750 ( -5.293 10.511 -0.117) 11.769 10.944 ( -12.474 -8.841 2.526) 15.497 11.199 ( -3.468 4.298 -0.303) 5.531 11.310 ( -11.392 -8.445 5.310) 15.143 11.574 ( -4.329 1.884 1.985) 5.121 11.604 ( -3.246 12.238 -5.703) 13.887 11.722 ( -0.823 -4.534 1.238) 4.771 11.932 ( -10.043 -21.151 -7.435) 24.566 12.370 ( 20.086 0.327 2.946) 20.304 12.473 ( 13.058 -10.881 1.634) 17.075 12.991 ( -13.919 9.561 2.384) 17.054 13.083 ( -11.231 -0.177 -1.490) 11.331 13.427 ( 5.663 13.883 -0.228) 14.995 13.776 ( 2.252 8.934 -4.093) 10.082 13.851 ( 0.454 -19.691 -3.410) 19.989 14.020 ( 7.348 -14.720 0.078) 16.452 14.046 ( -4.341 10.776 -0.577) 11.632 14.224 ( -1.535 -8.306 1.424) 8.566 14.741 ( 10.232 26.518 3.545) 28.643 15.181 ( 7.632 -9.961 -5.153) 13.566 15.594 ( -0.641 8.075 2.983) 8.632 15.866 ( -4.840 0.025 -0.970) 4.936 15.991 ( -5.830 0.755 -0.689) 5.919 16.197 ( -4.343 -2.336 1.920) 5.292 16.340 ( -3.474 2.106 -3.688) 5.487 16.496 ( 6.391 -7.498 -11.890) 15.441 16.792 ( 1.085 8.059 4.708) 9.396 16.981 ( 8.247 -8.325 1.045) 11.765 17.184 ( -4.278 5.610 -0.744) 7.094 17.316 ( -1.710 -4.008 1.387) 4.573 17.690 ( -0.576 -2.569 -0.922) 2.789 17.716 ( -0.343 -5.150 2.011) 5.539 18.181 ( -2.609 6.315 -15.334) 16.788 18.234 ( 0.235 1.561 0.712) 1.731 18.471 ( -1.314 -0.977 -10.290) 10.419 18.529 ( 6.952 -7.893 -5.586) 11.909 18.801 ( -0.521 3.289 -12.732) 13.160 18.880 ( 4.441 -4.099 -13.766) 15.035 19.238 ( -4.139 11.029 -8.814) 14.712 19.422 ( -0.940 -6.641 -9.027) 11.247 19.780 ( 2.069 2.026 -9.562) 9.991 19.833 ( -6.570 -1.976 -4.502) 8.206 20.103 ( 1.048 4.539 -5.512) 7.217 20.246 ( 4.307 -9.301 -3.093) 10.706 20.720 ( 3.929 4.929 0.788) 6.352 20.744 ( -0.496 1.169 -1.555) 2.008 20.840 ( 7.820 5.631 1.011) 9.689 20.916 ( 11.502 -2.838 -2.308) 12.069 21.523 ( 4.673 1.319 -4.829) 6.848 21.539 ( 4.406 -1.192 -1.004) 4.674 21.866 ( -2.425 1.448 -18.851) 19.061 21.890 ( -4.020 -1.120 -24.008) 24.368 22.100 ( -5.881 1.861 -9.022) 10.929 22.205 ( -7.932 -8.710 -12.174) 16.941 22.824 ( -1.307 8.323 -0.769) 8.460 22.880 ( -3.551 1.709 -7.596) 8.558 23.009 ( 5.433 3.873 -0.257) 6.677 23.133 ( -2.303 -6.730 2.106) 7.418 23.284 ( -1.392 3.208 6.567) 7.440 23.381 ( 5.290 -7.463 10.492) 13.919 23.950 ( 4.204 13.501 20.483) 24.890 24.245 ( -2.744 -18.344 20.844) 27.902 25.092 ( 4.526 5.417 -22.496) 23.578 25.230 ( 9.562 -7.562 -22.147) 25.280 25.386 ( 0.051 0.873 -19.216) 19.236 25.493 ( 3.500 -8.033 -10.403) 13.601 26.394 ( -4.988 12.273 -9.537) 16.323 26.408 ( -8.718 9.006 -12.823) 17.932 26.529 ( -9.364 3.882 -9.331) 13.778 26.678 ( -13.559 -5.875 -6.518) 16.151 27.246 ( 13.047 -4.008 -1.233) 13.705 27.300 ( 5.849 -8.420 -1.449) 10.354 27.946 ( -7.024 0.389 -10.142) 12.343 28.088 ( -7.433 -14.621 -0.579) 16.412 28.480 ( 5.659 6.598 25.177) 26.635 28.626 ( 2.244 -7.827 25.825) 27.078 28.880 ( -6.733 17.675 13.541) 23.261 29.197 ( -5.695 -14.329 21.902) 26.785 29.469 ( -1.238 1.886 18.042) 18.183 29.544 ( -0.790 -7.088 14.017) 15.727 29.794 ( -9.991 5.838 8.753) 14.509 29.883 ( -5.661 -2.084 8.924) 10.771 30.003 ( 2.667 1.905 14.274) 14.646 30.099 ( 6.394 -7.035 15.615) 18.281 30.321 ( -1.024 6.323 10.510) 12.309 30.458 ( -1.165 -8.638 13.418) 16.001 31.183 ( 14.197 8.241 -7.646) 18.108 31.259 ( 16.620 0.782 -9.676) 19.247 31.767 ( 1.174 7.729 1.098) 7.894 31.843 ( 6.483 1.136 -5.374) 8.497 32.094 ( -3.861 13.803 5.641) 15.403 32.312 ( 4.004 -10.368 6.805) 13.032 32.877 ( 3.822 4.498 -1.132) 6.010 32.932 ( -3.979 -2.349 9.089) 10.196 33.123 ( -8.007 -1.340 9.919) 12.817 33.149 ( -2.235 -3.793 8.686) 9.738 33.674 ( 8.315 4.334 -0.595) 9.396 33.760 ( 11.327 -4.711 -2.283) 12.478 34.674 ( 6.457 5.464 7.723) 11.454 34.784 ( 8.323 -6.507 5.822) 12.063 35.845 ( -8.354 11.843 10.276) 17.766 36.010 ( -7.300 -5.117 5.115) 10.278 36.251 ( 7.790 3.613 1.023) 8.648 36.342 ( 14.635 -5.075 0.696) 15.506 37.904 ( -21.674 25.285 -36.262) 49.235 38.300 ( -19.924 -17.648 -37.785) 46.218 ======================= Grid point 86 (35/84) ======================= q-point: ( 0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 9.733 11.400 6.779) 16.451 2.551 ( 10.201 8.930 11.874) 18.022 2.698 ( 3.836 -5.101 4.358) 7.728 2.739 ( 3.568 -12.393 3.015) 13.244 2.826 ( -0.931 3.290 3.976) 5.244 2.903 ( -0.340 -3.664 3.533) 5.102 3.006 ( -5.784 -0.289 6.049) 8.374 3.034 ( -5.183 -3.646 4.243) 7.626 3.470 ( -0.025 4.159 0.768) 4.229 3.525 ( 2.127 0.143 2.332) 3.159 3.539 ( -2.502 2.283 0.726) 3.464 3.588 ( -1.195 -2.067 -1.264) 2.702 5.116 ( 12.964 15.581 16.964) 26.431 5.192 ( 20.614 3.722 24.563) 32.282 5.357 ( 8.375 7.736 14.886) 18.750 5.608 ( 12.464 -12.193 16.899) 24.282 5.875 ( -7.671 1.193 17.910) 19.520 5.984 ( -5.344 -3.102 29.641) 30.278 6.080 ( 4.520 -3.983 21.485) 22.314 6.250 ( -4.903 -11.800 19.514) 23.325 6.440 ( 4.488 13.142 3.938) 14.435 6.548 ( 10.442 1.530 14.659) 18.063 6.691 ( 11.592 1.426 10.726) 15.857 6.862 ( 4.410 -10.439 18.289) 21.515 7.150 ( -2.766 7.222 6.350) 10.007 7.319 ( -3.197 -9.490 10.595) 14.579 7.739 ( -16.307 -0.289 3.350) 16.650 7.791 ( -10.205 -6.382 2.739) 12.344 7.850 ( 20.600 3.092 12.977) 24.543 7.938 ( 23.034 -5.463 8.705) 25.223 8.860 ( -1.735 14.719 12.368) 19.303 9.063 ( -8.768 -5.004 15.924) 18.854 9.307 ( 2.053 6.260 7.294) 9.829 9.367 ( 3.232 -0.313 4.820) 5.812 9.644 ( -15.504 16.322 -1.210) 22.544 9.842 ( -10.439 6.086 7.189) 14.061 9.917 ( 2.621 -8.955 -8.006) 12.294 10.049 ( -14.701 -10.052 4.610) 18.396 10.560 ( -15.768 2.634 1.147) 16.028 10.598 ( -22.220 -1.799 5.726) 23.016 11.104 ( -5.767 2.781 -0.230) 6.407 11.163 ( -1.412 0.868 -4.382) 4.685 11.364 ( -7.960 -5.722 -0.857) 9.840 11.572 ( -11.775 -17.799 -3.523) 21.630 11.840 ( 17.965 10.700 -3.663) 21.229 12.057 ( 19.082 -8.709 0.140) 20.976 12.560 ( -9.815 18.630 -2.942) 21.262 12.796 ( 16.050 -0.990 1.906) 16.194 12.809 ( -17.397 -3.673 -0.030) 17.780 12.883 ( 16.425 -11.673 0.429) 20.155 13.406 ( -9.075 8.616 -1.897) 12.656 13.634 ( -14.856 -8.430 -2.154) 17.217 13.922 ( 3.846 3.299 -6.090) 7.922 13.993 ( -0.956 10.330 -3.053) 10.814 14.136 ( 4.759 -14.354 0.202) 15.124 14.203 ( -0.430 -11.174 -0.930) 11.221 15.002 ( 16.862 24.415 4.629) 30.031 15.355 ( 7.950 3.117 0.167) 8.541 15.576 ( -0.329 -6.145 4.419) 7.576 15.788 ( -4.919 -6.136 2.661) 8.302 15.900 ( -2.185 13.149 -3.033) 13.670 16.147 ( -1.483 0.827 -1.291) 2.133 16.208 ( -8.259 -3.570 1.055) 9.059 16.469 ( -8.405 -17.454 -7.187) 20.663 16.863 ( 5.181 15.837 5.673) 17.602 17.078 ( -1.425 12.244 3.058) 12.700 17.162 ( 3.936 -9.966 1.077) 10.769 17.281 ( -0.472 -2.936 -0.161) 2.978 17.736 ( 3.566 -2.253 -4.304) 6.026 17.784 ( 9.360 -5.107 -7.662) 13.130 18.076 ( -8.018 5.963 -14.434) 17.556 18.167 ( -7.899 -3.538 -7.775) 11.635 18.519 ( 6.977 5.937 -8.237) 12.320 18.656 ( 5.028 -5.373 -15.203) 16.890 18.810 ( 0.638 -1.740 -9.056) 9.243 18.920 ( -0.978 -8.793 -9.245) 12.796 19.214 ( 3.045 12.956 -4.688) 14.110 19.427 ( 2.170 -7.953 -3.434) 8.930 19.621 ( -12.849 3.763 -0.792) 13.412 19.720 ( -8.112 -4.974 -1.578) 9.646 20.253 ( 12.474 8.743 -11.641) 19.171 20.404 ( 10.398 -5.079 -7.927) 14.027 20.665 ( -5.669 3.953 -5.973) 9.134 20.710 ( -3.510 0.375 -3.075) 4.681 21.119 ( 17.866 4.731 -2.599) 18.664 21.196 ( 16.812 -2.495 -2.407) 17.166 21.609 ( 2.346 2.980 -7.322) 8.246 21.658 ( 7.798 -1.942 -2.675) 8.470 21.743 ( -11.528 1.630 -21.601) 24.539 21.797 ( -3.342 -2.196 -13.362) 13.948 21.979 ( -6.915 -0.068 -7.416) 10.139 22.032 ( -10.075 -5.963 -9.753) 15.238 22.827 ( 1.937 2.423 -3.128) 4.405 22.838 ( -0.164 1.400 -3.499) 3.772 22.993 ( -6.000 0.833 2.906) 6.719 23.045 ( -7.059 -4.273 0.984) 8.310 23.401 ( 14.078 7.279 10.672) 19.106 23.550 ( 12.059 -8.306 13.171) 19.695 23.944 ( -5.976 6.174 17.324) 19.338 24.075 ( -14.728 -7.772 16.199) 23.232 25.215 ( 7.850 9.571 -22.478) 25.661 25.375 ( -0.174 7.084 -19.244) 20.507 25.459 ( 10.865 -14.773 -23.511) 29.817 25.564 ( 3.579 -11.398 -11.655) 16.690 26.232 ( -7.248 11.605 -7.253) 15.486 26.293 ( -5.119 9.870 -10.516) 15.304 26.371 ( -7.112 3.346 -12.725) 14.957 26.462 ( -9.496 -3.058 -7.792) 12.659 27.412 ( 6.888 -0.516 -7.360) 10.094 27.468 ( 9.379 -5.618 -2.142) 11.141 27.785 ( -8.485 -4.362 -11.933) 15.278 27.915 ( -10.207 -15.281 -2.787) 18.587 28.623 ( 8.461 1.708 25.210) 26.647 28.681 ( 4.293 -4.723 22.474) 23.363 28.777 ( -4.058 13.468 16.181) 21.440 29.043 ( -10.112 -14.243 22.222) 28.265 29.457 ( 0.764 5.322 17.731) 18.528 29.556 ( 0.245 -3.004 12.197) 12.564 29.634 ( -5.167 3.011 12.308) 13.684 29.768 ( -6.413 -7.791 8.965) 13.498 30.090 ( 6.286 6.918 12.415) 15.541 30.228 ( 7.053 -8.157 13.984) 17.659 30.291 ( -2.829 6.605 11.498) 13.559 30.426 ( -2.806 -8.529 14.192) 16.793 31.445 ( 13.040 10.626 -4.851) 17.507 31.536 ( 12.651 2.123 -2.064) 12.993 31.762 ( -2.675 9.993 1.037) 10.396 31.872 ( -5.308 1.228 -0.117) 5.450 32.151 ( 11.772 11.857 3.141) 17.001 32.411 ( 6.912 -14.110 5.566) 16.669 32.721 ( -14.412 -0.445 3.459) 14.828 32.776 ( -12.142 -5.758 8.439) 15.869 33.205 ( 14.059 5.257 1.447) 15.079 33.306 ( 13.676 -5.521 0.420) 14.754 33.693 ( -6.414 5.329 -1.143) 8.417 33.799 ( -6.928 -5.985 -2.950) 9.619 34.917 ( 18.783 8.962 9.499) 22.877 35.084 ( 22.507 -9.313 7.354) 25.443 35.626 ( -15.150 11.747 7.831) 20.709 35.823 ( -13.383 -9.663 5.546) 17.414 36.473 ( 16.420 14.179 -3.056) 21.909 36.694 ( 22.905 -7.503 -6.899) 25.070 37.414 ( -28.511 22.401 -22.834) 42.849 37.815 ( -30.533 -19.442 -27.742) 45.605 ======================= Grid point 87 (36/84) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.665 ( -6.140 6.466 1.732) 9.084 2.665 ( 6.140 6.466 1.732) 9.084 2.727 ( -4.049 -0.673 3.884) 5.651 2.727 ( 4.049 -0.673 3.884) 5.651 2.894 ( -5.397 -2.491 7.255) 9.379 2.894 ( 5.397 -2.491 7.255) 9.379 2.930 ( -5.006 -6.211 6.917) 10.558 2.930 ( 5.006 -6.211 6.917) 10.558 3.493 ( -2.222 4.334 0.193) 4.874 3.493 ( 2.222 4.334 0.193) 4.874 3.557 ( -1.746 -2.499 0.090) 3.050 3.557 ( 1.746 -2.499 0.090) 3.050 5.338 ( -9.602 17.901 15.552) 25.584 5.338 ( 9.602 17.901 15.552) 25.584 5.551 ( -17.006 -0.011 19.053) 25.539 5.551 ( 17.006 -0.011 19.053) 25.539 5.938 ( -15.333 -4.876 17.979) 24.127 5.938 ( 15.333 -4.876 17.979) 24.127 6.036 ( -9.435 -14.273 25.368) 30.598 6.036 ( 9.435 -14.273 25.368) 30.598 6.693 ( -5.417 10.287 9.356) 14.924 6.693 ( 5.417 10.287 9.356) 14.924 6.850 ( -5.180 -4.257 10.878) 12.778 6.850 ( 5.180 -4.257 10.878) 12.778 7.229 ( -10.345 8.528 1.776) 13.524 7.229 ( 10.345 8.528 1.776) 13.524 7.482 ( -4.259 -18.181 7.209) 20.016 7.482 ( 4.259 -18.181 7.209) 20.016 8.525 ( -35.138 7.782 21.871) 42.114 8.525 ( 35.138 7.782 21.871) 42.114 8.600 ( -37.184 0.513 22.799) 43.620 8.600 ( 37.184 0.513 22.799) 43.620 9.309 ( -4.010 14.446 -0.539) 15.002 9.309 ( 4.010 14.446 -0.539) 15.002 9.535 ( -13.842 -9.260 -1.978) 16.770 9.535 ( 13.842 -9.260 -1.978) 16.770 10.166 ( -22.585 3.943 4.909) 23.446 10.166 ( 22.585 3.943 4.909) 23.446 10.248 ( -16.711 -4.574 0.798) 17.344 10.248 ( 16.711 -4.574 0.798) 17.344 11.101 ( -3.766 6.941 -5.381) 9.556 11.101 ( 3.766 6.941 -5.381) 9.556 11.374 ( -7.708 -21.211 -3.502) 22.839 11.374 ( 7.708 -21.211 -3.502) 22.839 12.223 ( -21.405 16.810 -0.352) 27.219 12.223 ( 21.405 16.810 -0.352) 27.219 12.444 ( -21.187 -5.945 0.704) 22.016 12.444 ( 21.187 -5.945 0.704) 22.016 13.129 ( -17.863 4.290 -1.648) 18.445 13.129 ( 17.863 4.290 -1.648) 18.445 13.288 ( -21.285 -10.963 -2.943) 24.123 13.288 ( 21.285 -10.963 -2.943) 24.123 13.975 ( -1.846 8.580 -4.487) 9.857 13.975 ( 1.846 8.580 -4.487) 9.857 14.192 ( -1.409 -13.383 -0.642) 13.472 14.192 ( 1.409 -13.383 -0.642) 13.472 15.300 ( -12.859 21.479 4.585) 25.450 15.300 ( 12.859 21.479 4.585) 25.450 15.660 ( -7.568 -14.081 4.555) 16.622 15.660 ( 7.568 -14.081 4.555) 16.622 15.978 ( -9.635 12.773 -2.163) 16.145 15.978 ( 9.635 12.773 -2.163) 16.145 16.277 ( -9.816 -16.608 -3.878) 19.678 16.277 ( 9.816 -16.608 -3.878) 19.678 16.978 ( -6.977 17.312 6.687) 19.827 16.978 ( 6.977 17.312 6.687) 19.827 17.252 ( -3.934 -10.720 0.315) 11.424 17.252 ( 3.934 -10.720 0.315) 11.424 17.868 ( -8.623 5.973 -11.109) 15.279 17.868 ( 8.623 5.973 -11.109) 15.279 18.001 ( -8.620 -6.689 -10.921) 15.437 18.001 ( 8.620 -6.689 -10.921) 15.437 18.655 ( -5.881 7.733 -11.336) 14.930 18.655 ( 5.882 7.733 -11.336) 14.930 18.853 ( -4.956 -12.674 -11.372) 17.735 18.853 ( 4.956 -12.674 -11.372) 17.735 19.357 ( -10.742 10.933 0.632) 15.340 19.357 ( 10.742 10.933 0.632) 15.340 19.559 ( -7.422 -9.939 -1.137) 12.456 19.559 ( 7.422 -9.939 -1.137) 12.456 20.471 ( -8.473 10.185 -10.119) 16.671 20.471 ( 8.473 10.185 -10.119) 16.671 20.619 ( -5.253 -4.204 -6.107) 9.086 20.619 ( 5.253 -4.204 -6.107) 9.086 21.437 ( -9.921 3.702 -10.053) 14.601 21.437 ( 9.921 3.702 -10.053) 14.601 21.507 ( -6.179 -2.101 -9.359) 11.410 21.507 ( 6.179 -2.101 -9.359) 11.410 21.835 ( -9.041 -1.139 -5.738) 10.769 21.835 ( 9.041 -1.139 -5.738) 10.769 21.853 ( -7.721 -2.273 -8.291) 11.555 21.853 ( 7.721 -2.273 -8.291) 11.555 22.878 ( -3.751 1.465 0.578) 4.069 22.878 ( 3.751 1.465 0.578) 4.069 22.912 ( -5.429 -2.183 -1.105) 5.955 22.912 ( 5.429 -2.183 -1.105) 5.955 23.713 ( -17.282 3.397 13.444) 22.158 23.713 ( 17.282 3.397 13.444) 22.158 23.795 ( -13.260 -4.525 15.479) 20.879 23.795 ( 13.260 -4.525 15.479) 20.879 25.335 ( -4.315 10.407 -20.772) 23.630 25.335 ( 4.315 10.407 -20.772) 23.630 25.587 ( -2.377 -15.158 -18.034) 23.678 25.587 ( 2.377 -15.158 -18.034) 23.678 26.200 ( -3.533 12.857 -12.125) 18.022 26.200 ( 3.533 12.857 -12.125) 18.022 26.335 ( -3.548 -0.491 -7.544) 8.351 26.335 ( 3.548 -0.491 -7.544) 8.351 27.528 ( -4.403 3.704 -6.949) 9.022 27.528 ( 4.403 3.704 -6.949) 9.022 27.747 ( -6.343 -16.829 -7.569) 19.512 27.747 ( 6.343 -16.829 -7.569) 19.512 28.713 ( -2.987 6.145 20.380) 21.495 28.713 ( 2.987 6.145 20.380) 21.495 28.845 ( -10.907 -8.067 22.407) 26.194 28.845 ( 10.907 -8.067 22.407) 26.194 29.498 ( -3.576 7.339 15.520) 17.536 29.498 ( 3.576 7.339 15.520) 17.536 29.660 ( -4.842 -9.991 10.850) 15.524 29.660 ( 4.842 -9.991 10.850) 15.524 30.209 ( -5.884 7.528 11.604) 15.032 30.209 ( 5.884 7.528 11.604) 15.032 30.348 ( -5.596 -8.097 13.801) 16.951 30.348 ( 5.596 -8.097 13.801) 16.951 31.651 ( -8.720 10.881 -3.187) 14.303 31.651 ( 8.720 10.881 -3.187) 14.303 31.733 ( -8.617 3.835 3.230) 9.970 31.733 ( 8.617 3.835 3.230) 9.970 32.427 ( -16.417 3.123 1.375) 16.768 32.427 ( 16.417 3.123 1.375) 16.768 32.569 ( -10.058 -10.877 8.078) 16.874 32.569 ( 10.058 -10.877 8.078) 16.874 33.484 ( -14.284 5.163 -0.651) 15.203 33.484 ( 14.284 5.163 -0.651) 15.203 33.582 ( -14.466 -5.313 -1.863) 15.523 33.582 ( 14.466 -5.313 -1.863) 15.523 35.293 ( -20.057 11.713 8.507) 24.736 35.293 ( 20.057 11.713 8.507) 24.736 35.507 ( -20.701 -11.743 6.394) 24.644 35.507 ( 20.701 -11.743 6.394) 24.644 36.847 ( -21.678 24.520 -12.556) 35.054 36.847 ( 21.678 24.520 -12.556) 35.054 37.251 ( -26.929 -19.201 -15.857) 36.678 37.251 ( 26.929 -19.201 -15.857) 36.678 ======================= Grid point 105 (37/84) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 0.000 0.000 23.955) 23.955 2.587 ( 0.000 0.000 26.031) 26.031 2.717 ( 0.000 0.000 3.601) 3.601 2.822 ( 0.000 0.000 0.896) 0.896 2.865 ( 0.000 0.000 2.036) 2.036 3.143 ( 0.000 0.000 -1.120) 1.120 3.212 ( 0.000 0.000 3.466) 3.466 3.214 ( 0.000 0.000 7.204) 7.204 3.285 ( 0.000 0.000 4.299) 4.299 3.398 ( 0.000 0.000 -11.542) 11.542 3.573 ( 0.000 0.000 -3.994) 3.994 3.606 ( 0.000 0.000 16.338) 16.338 4.697 ( 0.000 0.000 18.874) 18.874 5.012 ( 0.000 0.000 28.483) 28.483 5.360 ( 0.000 0.000 1.641) 1.641 5.674 ( 0.000 0.000 10.680) 10.680 5.759 ( 0.000 0.000 -12.874) 12.874 6.331 ( 0.000 0.000 29.889) 29.889 6.335 ( 0.000 0.000 15.631) 15.631 6.706 ( 0.000 0.000 0.047) 0.047 6.789 ( 0.000 0.000 17.816) 17.816 7.083 ( 0.000 0.000 48.909) 48.909 7.194 ( 0.000 0.000 9.424) 9.424 7.234 ( 0.000 0.000 -1.652) 1.652 7.603 ( 0.000 0.000 19.406) 19.406 7.647 ( 0.000 0.000 19.063) 19.063 7.896 ( 0.000 0.000 46.705) 46.705 8.096 ( 0.000 0.000 -10.619) 10.619 8.128 ( 0.000 0.000 5.866) 5.866 8.222 ( 0.000 0.000 -7.057) 7.057 8.739 ( 0.000 0.000 18.662) 18.662 8.866 ( 0.000 0.000 20.154) 20.154 9.223 ( 0.000 0.000 -1.980) 1.980 9.479 ( 0.000 0.000 28.850) 28.850 9.800 ( 0.000 0.000 -3.527) 3.527 9.933 ( 0.000 0.000 -3.039) 3.039 10.059 ( 0.000 0.000 2.276) 2.276 10.344 ( 0.000 0.000 -1.479) 1.479 10.675 ( 0.000 0.000 19.994) 19.994 11.233 ( 0.000 0.000 -9.510) 9.510 11.311 ( 0.000 0.000 2.568) 2.568 11.383 ( 0.000 0.000 6.729) 6.729 11.748 ( 0.000 0.000 -0.250) 0.250 11.925 ( 0.000 0.000 0.486) 0.486 12.113 ( 0.000 0.000 6.116) 6.116 12.242 ( 0.000 0.000 -0.657) 0.657 12.303 ( 0.000 0.000 15.172) 15.172 12.489 ( 0.000 0.000 -3.632) 3.632 12.943 ( 0.000 0.000 -11.323) 11.323 13.007 ( 0.000 0.000 1.410) 1.410 13.456 ( 0.000 0.000 -0.853) 0.853 13.659 ( 0.000 0.000 -0.942) 0.942 13.849 ( 0.000 0.000 -4.823) 4.823 13.951 ( 0.000 0.000 16.986) 16.986 14.177 ( 0.000 0.000 3.509) 3.509 14.313 ( 0.000 0.000 -1.002) 1.002 14.400 ( 0.000 0.000 -9.376) 9.376 14.915 ( 0.000 0.000 4.022) 4.022 15.217 ( 0.000 0.000 -13.849) 13.849 15.904 ( 0.000 0.000 -11.984) 11.984 15.944 ( 0.000 0.000 -0.451) 0.451 16.050 ( 0.000 0.000 -8.173) 8.173 16.252 ( 0.000 0.000 -7.070) 7.070 16.399 ( 0.000 0.000 13.375) 13.375 16.746 ( 0.000 0.000 -9.972) 9.972 17.328 ( 0.000 0.000 2.760) 2.760 17.334 ( 0.000 0.000 2.388) 2.388 17.383 ( 0.000 0.000 -0.092) 0.092 17.899 ( 0.000 0.000 -12.709) 12.709 17.918 ( 0.000 0.000 -11.843) 11.843 17.972 ( 0.000 0.000 -21.491) 21.491 17.978 ( 0.000 0.000 -21.144) 21.144 18.098 ( 0.000 0.000 10.224) 10.224 18.131 ( 0.000 0.000 -4.151) 4.151 18.505 ( 0.000 0.000 -14.571) 14.571 18.714 ( 0.000 0.000 -6.579) 6.579 18.938 ( 0.000 0.000 -6.761) 6.761 19.177 ( 0.000 0.000 0.723) 0.723 19.802 ( 0.000 0.000 -12.521) 12.521 19.985 ( 0.000 0.000 -23.721) 23.721 20.121 ( 0.000 0.000 -5.173) 5.173 20.166 ( 0.000 0.000 -1.923) 1.923 20.291 ( 0.000 0.000 -26.054) 26.054 20.485 ( 0.000 0.000 0.741) 0.741 20.546 ( 0.000 0.000 4.493) 4.493 20.870 ( 0.000 0.000 4.420) 4.420 21.296 ( 0.000 0.000 -36.275) 36.275 21.504 ( 0.000 0.000 10.791) 10.791 21.540 ( 0.000 0.000 -10.038) 10.038 21.627 ( 0.000 0.000 -2.062) 2.062 22.048 ( 0.000 0.000 -23.588) 23.588 22.053 ( 0.000 0.000 -8.269) 8.269 22.569 ( 0.000 0.000 -13.740) 13.740 22.573 ( 0.000 0.000 -18.279) 18.279 22.879 ( 0.000 0.000 14.878) 14.878 23.155 ( 0.000 0.000 -12.475) 12.475 23.248 ( 0.000 0.000 -6.895) 6.895 23.786 ( 0.000 0.000 16.829) 16.829 23.953 ( 0.000 0.000 19.663) 19.663 24.768 ( 0.000 0.000 -26.670) 26.670 24.818 ( 0.000 0.000 -12.989) 12.989 24.835 ( 0.000 0.000 -1.435) 1.435 25.199 ( 0.000 0.000 -14.081) 14.081 25.515 ( 0.000 0.000 11.096) 11.096 25.786 ( 0.000 0.000 -9.787) 9.787 25.858 ( 0.000 0.000 -5.973) 5.973 26.359 ( 0.000 0.000 -12.861) 12.861 27.247 ( 0.000 0.000 2.853) 2.853 27.837 ( 0.000 0.000 -4.770) 4.770 27.865 ( 0.000 0.000 6.234) 6.234 28.088 ( 0.000 0.000 8.947) 8.947 28.146 ( 0.000 0.000 -15.125) 15.125 28.595 ( 0.000 0.000 16.951) 16.951 28.999 ( 0.000 0.000 9.356) 9.356 29.218 ( 0.000 0.000 19.157) 19.157 29.491 ( 0.000 0.000 3.696) 3.696 29.638 ( 0.000 0.000 6.137) 6.137 29.760 ( 0.000 0.000 14.058) 14.058 29.948 ( 0.000 0.000 4.915) 4.915 30.261 ( 0.000 0.000 6.276) 6.276 30.289 ( 0.000 0.000 9.794) 9.794 30.410 ( 0.000 0.000 10.569) 10.569 30.479 ( 0.000 0.000 10.229) 10.229 30.577 ( 0.000 0.000 5.487) 5.487 30.911 ( 0.000 0.000 2.266) 2.266 31.086 ( 0.000 0.000 9.673) 9.673 31.405 ( 0.000 0.000 -1.231) 1.231 31.486 ( 0.000 0.000 1.496) 1.496 32.178 ( 0.000 0.000 30.533) 30.533 32.618 ( 0.000 0.000 0.895) 0.895 32.686 ( 0.000 0.000 18.526) 18.526 33.281 ( 0.000 0.000 -1.499) 1.499 33.315 ( 0.000 0.000 13.174) 13.174 33.563 ( 0.000 0.000 -1.799) 1.799 33.651 ( 0.000 0.000 8.124) 8.124 33.731 ( 0.000 0.000 26.668) 26.668 34.711 ( 0.000 0.000 9.730) 9.730 34.931 ( 0.000 0.000 2.312) 2.312 35.801 ( 0.000 0.000 3.439) 3.439 36.075 ( 0.000 0.000 7.154) 7.154 36.182 ( 0.000 0.000 -1.683) 1.683 36.199 ( 0.000 0.000 -4.181) 4.181 37.121 ( 0.000 0.000 -17.273) 17.273 38.016 ( 0.000 0.000 -40.453) 40.453 ======================= Grid point 106 (38/84) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -1.603 0.000 17.889) 17.961 2.653 ( 6.495 0.000 21.495) 22.455 2.777 ( 0.639 0.000 3.064) 3.130 2.826 ( 4.108 0.000 3.476) 5.381 2.872 ( 0.750 0.000 1.912) 2.054 3.158 ( 1.621 0.000 -1.510) 2.215 3.187 ( -1.479 0.000 7.840) 7.978 3.257 ( -0.269 0.000 7.228) 7.233 3.271 ( 1.501 0.000 -1.656) 2.235 3.381 ( -1.799 0.000 -10.584) 10.735 3.567 ( 0.443 0.000 3.709) 3.735 3.635 ( 1.996 0.000 7.923) 8.170 4.765 ( 7.499 0.000 20.857) 22.164 5.171 ( 15.888 0.000 24.751) 29.411 5.389 ( 3.737 0.000 2.384) 4.432 5.769 ( 7.630 0.000 8.453) 11.388 5.816 ( 4.755 0.000 -10.529) 11.553 6.325 ( -1.569 0.000 12.438) 12.537 6.356 ( 3.085 0.000 28.410) 28.577 6.735 ( 3.482 0.000 0.974) 3.616 6.843 ( 2.908 0.000 23.975) 24.150 7.051 ( -7.794 0.000 5.708) 9.660 7.250 ( 5.571 0.000 14.163) 15.220 7.290 ( 11.459 0.000 44.298) 45.757 7.547 ( -10.544 0.000 21.540) 23.983 7.555 ( -1.719 0.000 10.565) 10.704 7.896 ( -8.538 0.000 -7.283) 11.222 7.974 ( 9.918 0.000 42.208) 43.358 8.148 ( -8.613 0.000 0.148) 8.615 8.400 ( 17.604 0.000 3.422) 17.934 8.578 ( -9.826 0.000 22.223) 24.298 8.986 ( 7.068 0.000 11.026) 13.097 9.226 ( 2.684 0.000 6.951) 7.451 9.577 ( 3.682 0.000 18.127) 18.497 9.711 ( -17.224 0.000 7.025) 18.602 9.821 ( 2.868 0.000 -4.392) 5.245 10.208 ( -10.289 0.000 6.478) 12.159 10.286 ( 17.024 0.000 -2.393) 17.192 10.663 ( -5.397 0.000 13.776) 14.796 11.033 ( -19.909 0.000 -2.900) 20.119 11.156 ( -16.187 0.000 3.832) 16.635 11.481 ( 0.773 0.000 -4.924) 4.985 11.604 ( -7.238 0.000 3.848) 8.198 11.806 ( -2.354 0.000 1.664) 2.883 12.022 ( -6.184 0.000 0.543) 6.208 12.170 ( -11.198 0.000 12.306) 16.638 12.397 ( -0.252 0.000 -1.993) 2.009 12.597 ( 18.398 0.000 -0.368) 18.401 12.928 ( -7.402 0.000 3.578) 8.221 12.937 ( -1.714 0.000 -8.822) 8.987 13.463 ( 0.543 0.000 -0.674) 0.865 13.464 ( -14.350 0.000 2.602) 14.584 13.855 ( 0.440 0.000 -5.808) 5.825 14.176 ( 15.229 0.000 6.917) 16.726 14.311 ( -8.888 0.000 -11.011) 14.150 14.365 ( 20.657 0.000 5.735) 21.438 14.415 ( 9.539 0.000 0.080) 9.539 14.908 ( -1.044 0.000 4.779) 4.891 15.139 ( -6.436 0.000 -11.037) 12.777 15.922 ( -9.822 0.000 -2.058) 10.035 16.027 ( 8.702 0.000 -0.665) 8.727 16.114 ( 16.042 0.000 -18.047) 24.146 16.318 ( 6.864 0.000 -5.232) 8.630 16.381 ( -1.849 0.000 14.268) 14.388 16.725 ( -2.889 0.000 -6.634) 7.236 17.142 ( -12.930 0.000 3.384) 13.365 17.307 ( -10.283 0.000 -1.804) 10.440 17.334 ( -5.163 0.000 -6.861) 8.587 17.627 ( -15.021 0.000 -17.088) 22.752 17.786 ( -0.651 0.000 -5.097) 5.138 17.997 ( 0.101 0.000 2.315) 2.318 18.092 ( -5.132 0.000 -11.474) 12.570 18.202 ( 8.712 0.000 -10.317) 13.504 18.372 ( 21.617 0.000 -21.587) 30.550 18.498 ( -0.843 0.000 -13.237) 13.264 18.750 ( 4.501 0.000 0.633) 4.546 18.980 ( 3.409 0.000 -8.686) 9.331 19.245 ( 7.207 0.000 1.137) 7.296 19.802 ( -0.368 0.000 -11.180) 11.186 19.853 ( -18.757 0.000 2.285) 18.896 20.008 ( 2.593 0.000 -21.612) 21.767 20.208 ( -0.434 0.000 -8.842) 8.853 20.252 ( -1.679 0.000 -26.411) 26.464 20.505 ( -4.504 0.000 0.794) 4.573 20.725 ( 17.966 0.000 -0.604) 17.976 20.885 ( 1.561 0.000 0.640) 1.687 21.253 ( -3.503 0.000 -32.376) 32.565 21.406 ( -4.343 0.000 -1.648) 4.645 21.661 ( 3.007 0.000 -3.665) 4.741 21.669 ( 7.127 0.000 1.236) 7.233 22.006 ( -4.717 0.000 -7.659) 8.995 22.041 ( -1.463 0.000 -20.254) 20.307 22.540 ( 0.151 0.000 -12.850) 12.851 22.597 ( 3.116 0.000 -11.366) 11.786 23.059 ( 16.284 0.000 10.118) 19.171 23.167 ( 0.096 0.000 -11.796) 11.796 23.177 ( -6.676 0.000 -4.881) 8.271 23.868 ( 7.393 0.000 15.814) 17.457 23.992 ( 4.154 0.000 16.470) 16.986 24.591 ( -13.003 0.000 -12.700) 18.176 24.858 ( 4.312 0.000 -12.407) 13.135 24.972 ( 8.181 0.000 -13.731) 15.983 25.166 ( -2.818 0.000 -13.836) 14.120 25.536 ( 2.414 0.000 8.563) 8.897 25.633 ( -13.419 0.000 -12.093) 18.064 25.877 ( 2.222 0.000 -5.187) 5.643 26.445 ( 4.692 0.000 -7.033) 8.455 26.999 ( -25.566 0.000 7.292) 26.586 27.513 ( -16.186 0.000 -1.229) 16.232 27.989 ( -6.933 0.000 -5.708) 8.981 28.003 ( -0.431 0.000 -1.798) 1.849 28.105 ( -4.447 0.000 -4.153) 6.085 28.625 ( 3.081 0.000 12.432) 12.808 29.127 ( 12.557 0.000 16.037) 20.369 29.294 ( 7.611 0.000 17.954) 19.501 29.323 ( -14.267 0.000 0.231) 14.269 29.602 ( -0.708 0.000 7.963) 7.994 29.830 ( 5.292 0.000 12.114) 13.219 29.951 ( 2.388 0.000 12.629) 12.853 30.171 ( -7.411 0.000 6.610) 9.930 30.292 ( -10.000 0.000 17.397) 20.066 30.330 ( -0.041 0.000 8.425) 8.425 30.485 ( 1.250 0.000 6.826) 6.939 30.809 ( 19.699 0.000 2.498) 19.857 31.020 ( -5.906 0.000 8.660) 10.482 31.153 ( 20.253 0.000 -1.995) 20.351 31.426 ( 1.318 0.000 0.004) 1.318 31.586 ( 9.535 0.000 2.435) 9.841 32.146 ( -3.103 0.000 30.129) 30.288 32.647 ( 1.471 0.000 -2.877) 3.231 32.728 ( 4.580 0.000 14.915) 15.603 33.203 ( -4.801 0.000 3.962) 6.224 33.348 ( -0.807 0.000 17.140) 17.159 33.419 ( -3.832 0.000 6.704) 7.722 33.704 ( 2.695 0.000 6.237) 6.794 33.932 ( 10.781 0.000 11.595) 15.832 34.744 ( 4.343 0.000 9.253) 10.222 34.982 ( 8.106 0.000 1.668) 8.275 35.712 ( -9.202 0.000 3.292) 9.773 36.086 ( 1.105 0.000 6.582) 6.674 36.184 ( -0.031 0.000 -0.699) 0.700 36.240 ( 2.869 0.000 -6.670) 7.261 37.045 ( -6.515 0.000 -14.736) 16.112 37.904 ( -11.755 0.000 -37.746) 39.534 ======================= Grid point 107 (39/84) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 4.378 0.000 10.243) 11.139 2.704 ( -6.675 0.000 0.982) 6.747 2.785 ( 6.594 0.000 11.652) 13.388 2.886 ( 0.428 0.000 2.066) 2.110 2.955 ( 7.348 0.000 5.744) 9.327 3.152 ( -2.709 0.000 8.070) 8.512 3.203 ( 3.190 0.000 -2.787) 4.236 3.230 ( -0.448 0.000 5.060) 5.080 3.293 ( -0.889 0.000 1.626) 1.853 3.334 ( -3.146 0.000 -8.200) 8.783 3.601 ( 2.868 0.000 3.659) 4.649 3.660 ( 0.509 0.000 3.426) 3.464 4.987 ( 16.757 0.000 24.676) 29.828 5.472 ( 10.786 0.000 7.538) 13.159 5.559 ( 16.977 0.000 10.763) 20.102 5.749 ( -13.586 0.000 15.998) 20.988 5.870 ( 1.040 0.000 -2.028) 2.279 6.258 ( -6.383 0.000 6.640) 9.210 6.531 ( 17.337 0.000 13.424) 21.926 6.801 ( 0.684 0.000 -5.671) 5.713 6.889 ( 3.106 0.000 34.010) 34.151 6.907 ( -4.889 0.000 -4.849) 6.886 7.250 ( -3.655 0.000 22.621) 22.914 7.294 ( -8.699 0.000 32.829) 33.962 7.482 ( -2.807 0.000 37.518) 37.623 7.597 ( -5.015 0.000 -1.322) 5.187 7.988 ( 0.005 0.000 3.320) 3.320 8.000 ( 26.736 0.000 9.569) 28.397 8.315 ( 17.065 0.000 45.872) 48.943 8.431 ( 2.336 0.000 17.934) 18.085 8.739 ( 17.798 0.000 12.545) 21.775 9.147 ( 12.639 0.000 0.837) 12.666 9.254 ( -7.331 0.000 9.626) 12.100 9.356 ( -20.247 0.000 16.619) 26.194 9.463 ( -14.308 0.000 17.669) 22.736 9.837 ( -0.110 0.000 -5.004) 5.005 10.127 ( 1.257 0.000 2.292) 2.614 10.304 ( -33.165 0.000 6.432) 33.783 10.491 ( -8.164 0.000 14.305) 16.470 10.783 ( 8.279 0.000 -6.584) 10.578 10.783 ( -17.376 0.000 6.235) 18.461 11.318 ( -12.021 0.000 -12.978) 17.690 11.584 ( 3.505 0.000 3.154) 4.715 11.884 ( -10.586 0.000 -0.886) 10.623 12.027 ( 0.006 0.000 6.745) 6.745 12.027 ( 19.355 0.000 1.485) 19.412 12.298 ( -8.266 0.000 -2.260) 8.569 12.728 ( -14.307 0.000 2.689) 14.558 12.911 ( -0.001 0.000 -2.489) 2.489 12.989 ( 20.900 0.000 0.042) 20.900 13.188 ( -14.428 0.000 0.762) 14.448 13.453 ( -2.728 0.000 0.386) 2.755 13.868 ( 1.456 0.000 -8.638) 8.759 14.110 ( -11.544 0.000 -13.316) 17.624 14.495 ( 18.745 0.000 4.114) 19.191 14.607 ( 10.129 0.000 2.133) 10.351 14.809 ( 24.650 0.000 5.160) 25.184 14.866 ( -3.678 0.000 5.090) 6.279 15.012 ( -7.479 0.000 -8.291) 11.166 15.648 ( -18.641 0.000 1.736) 18.722 16.252 ( 15.124 0.000 -1.657) 15.215 16.345 ( 0.994 0.000 8.082) 8.143 16.455 ( 14.029 0.000 -10.555) 17.557 16.488 ( 11.181 0.000 -0.720) 11.204 16.631 ( -4.131 0.000 -0.234) 4.138 16.874 ( -15.817 0.000 -0.604) 15.828 17.028 ( -17.241 0.000 2.069) 17.365 17.140 ( -15.002 0.000 -22.697) 27.207 17.537 ( 4.917 0.000 -11.423) 12.436 17.840 ( 4.638 0.000 -3.465) 5.789 17.934 ( -11.235 0.000 -16.744) 20.164 17.976 ( -1.988 0.000 3.553) 4.072 18.336 ( 5.458 0.000 -15.875) 16.787 18.471 ( -2.217 0.000 -12.534) 12.729 18.752 ( 18.124 0.000 -20.458) 27.331 18.883 ( 9.988 0.000 5.459) 11.382 19.022 ( 0.259 0.000 -8.964) 8.968 19.422 ( 11.107 0.000 0.510) 11.119 19.503 ( -18.701 0.000 1.552) 18.765 19.762 ( -4.716 0.000 -7.830) 9.141 20.088 ( 6.178 0.000 -16.334) 17.463 20.189 ( -0.776 0.000 -14.313) 14.334 20.222 ( -1.793 0.000 -21.734) 21.808 20.386 ( -7.939 0.000 -5.337) 9.566 20.939 ( 4.834 0.000 -11.091) 12.099 21.044 ( 15.536 0.000 -2.864) 15.798 21.181 ( -4.829 0.000 -27.556) 27.976 21.351 ( -2.360 0.000 -4.508) 5.089 21.731 ( 4.905 0.000 -3.655) 6.117 21.762 ( 2.871 0.000 0.932) 3.019 21.899 ( -6.090 0.000 -5.504) 8.209 21.972 ( -5.863 0.000 -12.058) 13.408 22.641 ( 10.287 0.000 -11.114) 15.144 22.691 ( 7.088 0.000 -6.200) 9.417 23.028 ( -9.137 0.000 -2.799) 9.556 23.083 ( -8.341 0.000 -9.536) 12.669 23.446 ( 23.485 0.000 8.225) 24.884 24.008 ( 7.002 0.000 14.516) 16.116 24.082 ( 4.211 0.000 11.805) 12.534 24.298 ( -18.921 0.000 -4.020) 19.344 24.971 ( 7.681 0.000 -11.963) 14.216 25.090 ( 3.714 0.000 -15.680) 16.113 25.125 ( -1.211 0.000 -14.629) 14.679 25.370 ( -13.918 0.000 -13.620) 19.474 25.637 ( 9.942 0.000 4.616) 10.961 25.954 ( 6.625 0.000 -2.607) 7.120 26.387 ( -11.305 0.000 1.954) 11.473 26.434 ( -31.427 0.000 7.381) 32.283 27.401 ( 5.112 0.000 -8.027) 9.517 27.872 ( -12.119 0.000 -4.074) 12.786 27.908 ( -1.545 0.000 -8.217) 8.361 28.008 ( -5.377 0.000 -3.960) 6.678 28.702 ( 5.366 0.000 6.168) 8.175 29.042 ( -13.661 0.000 1.735) 13.771 29.419 ( 16.803 0.000 19.343) 25.623 29.462 ( 9.228 0.000 16.057) 18.520 29.619 ( 0.892 0.000 12.780) 12.811 29.927 ( 5.057 0.000 8.557) 9.939 29.998 ( -12.529 0.000 23.247) 26.408 30.034 ( 6.064 0.000 15.122) 16.292 30.120 ( -6.941 0.000 5.199) 8.672 30.280 ( -4.991 0.000 9.806) 11.003 30.546 ( 5.700 0.000 1.937) 6.020 30.862 ( -8.801 0.000 2.863) 9.255 31.157 ( 14.216 0.000 6.091) 15.466 31.425 ( -1.862 0.000 2.130) 2.829 31.516 ( 16.890 0.000 3.823) 17.317 31.769 ( 7.204 0.000 0.508) 7.222 32.109 ( 2.050 0.000 24.806) 24.891 32.571 ( -10.838 0.000 -6.299) 12.535 32.850 ( 8.248 0.000 10.976) 13.729 33.199 ( -9.649 0.000 13.791) 16.831 33.237 ( 9.340 0.000 8.933) 12.924 33.539 ( 10.676 0.000 10.856) 15.226 33.671 ( -6.848 0.000 6.072) 9.152 33.968 ( -6.697 0.000 8.018) 10.447 34.899 ( 12.451 0.000 7.516) 14.543 35.306 ( 25.638 0.000 -3.438) 25.868 35.482 ( -15.149 0.000 3.782) 15.614 36.113 ( 1.768 0.000 5.126) 5.422 36.174 ( -1.050 0.000 1.181) 1.580 36.187 ( -11.861 0.000 -10.554) 15.877 37.005 ( 5.689 0.000 -12.862) 14.064 37.609 ( -19.095 0.000 -30.162) 35.698 ======================= Grid point 108 (40/84) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( -8.335 0.000 4.221) 9.342 2.557 ( 8.335 0.000 4.221) 9.342 2.871 ( -2.527 0.000 4.411) 5.084 2.871 ( 2.527 0.000 4.411) 5.084 3.076 ( -5.482 0.000 5.504) 7.768 3.076 ( 5.482 0.000 5.504) 7.768 3.254 ( -2.508 0.000 5.471) 6.018 3.254 ( 2.508 0.000 5.471) 6.018 3.269 ( -3.748 0.000 -5.258) 6.457 3.269 ( 3.748 0.000 -5.258) 6.457 3.649 ( -1.757 0.000 1.927) 2.608 3.649 ( 1.757 0.000 1.927) 2.608 5.369 ( -23.280 0.000 24.620) 33.884 5.369 ( 23.280 0.000 24.620) 33.884 5.646 ( -7.535 0.000 3.815) 8.446 5.646 ( 7.535 0.000 3.815) 8.446 6.048 ( -16.031 0.000 6.318) 17.231 6.048 ( 16.031 0.000 6.318) 17.231 6.813 ( -3.978 0.000 -6.394) 7.531 6.813 ( 3.978 0.000 -6.394) 7.531 6.848 ( -11.448 0.000 12.473) 16.930 6.848 ( 11.448 0.000 12.473) 16.930 7.325 ( -14.737 0.000 23.205) 27.489 7.325 ( 14.737 0.000 23.205) 27.489 7.330 ( -9.365 0.000 29.875) 31.308 7.330 ( 9.365 0.000 29.875) 31.308 8.161 ( -13.004 0.000 11.556) 17.396 8.161 ( 13.004 0.000 11.556) 17.396 8.667 ( -36.363 0.000 22.280) 42.645 8.667 ( 36.363 0.000 22.280) 42.645 8.936 ( -26.855 0.000 25.340) 36.923 8.936 ( 26.855 0.000 25.340) 36.923 9.162 ( -15.432 0.000 15.032) 21.543 9.162 ( 15.432 0.000 15.032) 21.543 9.577 ( -35.361 0.000 4.909) 35.700 9.577 ( 35.361 0.000 4.909) 35.700 10.009 ( -13.966 0.000 -8.155) 16.173 10.009 ( 13.966 0.000 -8.155) 16.173 10.500 ( -8.727 0.000 15.347) 17.655 10.500 ( 8.727 0.000 15.347) 17.655 11.075 ( -14.974 0.000 -11.843) 19.091 11.075 ( 14.974 0.000 -11.843) 19.091 11.694 ( -8.456 0.000 1.020) 8.518 11.694 ( 8.456 0.000 1.020) 8.518 12.130 ( -8.878 0.000 0.364) 8.885 12.130 ( 8.878 0.000 0.364) 8.885 12.404 ( -20.046 0.000 1.116) 20.077 12.404 ( 20.046 0.000 1.116) 20.077 12.977 ( -7.610 0.000 0.303) 7.616 12.977 ( 7.610 0.000 0.303) 7.616 13.314 ( -13.046 0.000 0.783) 13.069 13.314 ( 13.046 0.000 0.783) 13.069 13.935 ( -6.483 0.000 -12.419) 14.009 13.935 ( 6.483 0.000 -12.419) 14.009 14.767 ( -7.036 0.000 4.012) 8.099 14.767 ( 7.036 0.000 4.012) 8.100 14.811 ( -14.108 0.000 -0.345) 14.112 14.811 ( 14.108 0.000 -0.345) 14.112 15.259 ( -22.872 0.000 2.203) 22.978 15.259 ( 22.872 0.000 2.203) 22.978 16.416 ( -7.011 0.000 10.573) 12.686 16.416 ( 7.011 0.000 10.573) 12.686 16.562 ( -17.579 0.000 -3.298) 17.885 16.562 ( 17.579 0.000 -3.298) 17.885 16.727 ( -14.652 0.000 3.896) 15.161 16.727 ( 14.652 0.000 3.896) 15.161 16.843 ( -16.834 0.000 -22.476) 28.081 16.843 ( 16.834 0.000 -22.476) 28.081 17.710 ( -11.992 0.000 -15.635) 19.704 17.710 ( 11.992 0.000 -15.635) 19.704 17.923 ( -3.846 0.000 -0.688) 3.907 17.923 ( 3.846 0.000 -0.688) 3.907 18.416 ( -3.599 0.000 -14.108) 14.559 18.416 ( 3.599 0.000 -14.108) 14.559 18.964 ( -6.053 0.000 -10.338) 11.980 18.964 ( 6.053 0.000 -10.338) 11.980 19.164 ( -17.817 0.000 -0.618) 17.828 19.164 ( 17.817 0.000 -0.618) 17.828 19.623 ( -9.840 0.000 -2.930) 10.267 19.623 ( 9.840 0.000 -2.930) 10.267 20.192 ( -1.139 0.000 -18.022) 18.058 20.192 ( 1.139 0.000 -18.022) 18.058 20.229 ( -8.564 0.000 -11.096) 14.016 20.229 ( 8.564 0.000 -11.096) 14.016 21.062 ( -7.593 0.000 -21.586) 22.883 21.062 ( 7.593 0.000 -21.586) 22.883 21.268 ( -8.031 0.000 -4.793) 9.352 21.268 ( 8.031 0.000 -4.793) 9.352 21.808 ( -3.314 0.000 -2.011) 3.877 21.808 ( 3.314 0.000 -2.011) 3.877 21.846 ( -7.100 0.000 -5.860) 9.206 21.846 ( 7.100 0.000 -5.860) 9.206 22.850 ( -9.676 0.000 -2.791) 10.070 22.850 ( 9.676 0.000 -2.791) 10.070 22.873 ( -13.287 0.000 -9.392) 16.271 22.873 ( 13.287 0.000 -9.392) 16.271 23.896 ( -24.000 0.000 4.414) 24.403 23.896 ( 24.000 0.000 4.414) 24.403 24.103 ( -2.423 0.000 11.994) 12.236 24.103 ( 2.423 0.000 11.994) 12.236 25.116 ( -0.411 0.000 -15.122) 15.128 25.116 ( 0.411 0.000 -15.122) 15.128 25.140 ( -10.747 0.000 -12.975) 16.848 25.140 ( 10.747 0.000 -12.975) 16.848 25.932 ( -21.926 0.000 3.510) 22.205 25.932 ( 21.926 0.000 3.510) 22.205 26.136 ( -12.980 0.000 1.242) 13.039 26.136 ( 12.980 0.000 1.242) 13.039 27.611 ( -14.693 0.000 -7.369) 16.438 27.611 ( 14.693 0.000 -7.369) 16.438 27.925 ( -3.096 0.000 -6.273) 6.995 27.925 ( 3.096 0.000 -6.273) 6.995 28.832 ( -8.991 0.000 2.655) 9.375 28.832 ( 8.991 0.000 2.655) 9.375 29.593 ( -4.280 0.000 15.301) 15.888 29.593 ( 4.280 0.000 15.301) 15.888 29.727 ( -16.053 0.000 23.790) 28.699 29.727 ( 16.053 0.000 23.790) 28.699 30.018 ( -4.891 0.000 5.512) 7.369 30.018 ( 4.891 0.000 5.512) 7.369 30.161 ( -7.270 0.000 12.734) 14.663 30.161 ( 7.270 0.000 12.734) 14.663 30.690 ( -9.221 0.000 1.027) 9.278 30.690 ( 9.221 0.000 1.027) 9.278 31.348 ( -6.808 0.000 4.734) 8.292 31.348 ( 6.808 0.000 4.734) 8.292 31.747 ( -8.100 0.000 9.815) 12.726 31.747 ( 8.100 0.000 9.815) 12.726 32.303 ( -15.836 0.000 1.986) 15.960 32.303 ( 15.836 0.000 1.986) 15.960 33.019 ( -9.718 0.000 11.560) 15.103 33.019 ( 9.718 0.000 11.560) 15.103 33.471 ( -13.523 0.000 7.349) 15.391 33.471 ( 13.523 0.000 7.349) 15.391 33.766 ( -13.040 0.000 9.530) 16.151 33.766 ( 13.040 0.000 9.530) 16.151 35.179 ( -16.789 0.000 5.335) 17.616 35.179 ( 16.789 0.000 5.335) 17.616 35.812 ( -26.259 0.000 -8.694) 27.661 35.812 ( 26.259 0.000 -8.694) 27.661 36.147 ( -1.768 0.000 3.210) 3.664 36.147 ( 1.768 0.000 3.210) 3.664 37.248 ( -18.301 0.000 -20.141) 27.214 37.248 ( 18.301 0.000 -20.141) 27.214 ======================= Grid point 112 (41/84) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 0.000 7.468 20.357) 21.683 2.543 ( 0.000 -2.703 22.139) 22.304 2.727 ( 0.000 1.257 6.235) 6.360 2.856 ( 0.000 3.054 1.201) 3.281 2.914 ( 0.000 3.561 2.550) 4.380 3.011 ( 0.000 -14.332 3.299) 14.707 3.173 ( 0.000 1.063 -0.740) 1.295 3.242 ( 0.000 1.517 4.555) 4.801 3.292 ( 0.000 2.044 -0.322) 2.069 3.497 ( 0.000 4.190 -4.899) 6.446 3.563 ( 0.000 0.608 -2.734) 2.800 3.633 ( 0.000 2.329 12.546) 12.760 4.878 ( 0.000 18.449 18.838) 26.367 5.058 ( 0.000 5.043 29.254) 29.685 5.407 ( 0.000 5.168 10.006) 11.262 5.702 ( 0.000 -6.619 -2.599) 7.111 5.826 ( 0.000 15.386 3.062) 15.687 6.099 ( 0.000 -12.357 16.616) 20.708 6.435 ( 0.000 0.142 21.139) 21.139 6.637 ( 0.000 -7.854 1.368) 7.973 6.839 ( 0.000 -1.478 7.690) 7.830 6.918 ( 0.000 -7.463 24.592) 25.699 6.925 ( 0.000 -16.326 11.635) 20.048 7.385 ( 0.000 4.319 29.885) 30.195 7.578 ( 0.000 -8.029 11.897) 14.352 7.612 ( 0.000 2.437 22.560) 22.691 7.921 ( 0.000 2.087 52.929) 52.970 7.924 ( 0.000 -21.027 5.237) 21.669 8.208 ( 0.000 7.361 0.366) 7.370 8.244 ( 0.000 4.647 -14.503) 15.229 8.790 ( 0.000 7.826 5.664) 9.660 8.968 ( 0.000 9.488 25.231) 26.956 9.310 ( 0.000 8.881 -2.492) 9.224 9.435 ( 0.000 -5.021 31.062) 31.465 9.837 ( 0.000 -12.020 -1.997) 12.184 9.871 ( 0.000 -1.533 0.587) 1.642 10.101 ( 0.000 16.063 0.933) 16.090 10.514 ( 0.000 13.635 -2.008) 13.782 10.666 ( 0.000 2.537 14.047) 14.274 11.189 ( 0.000 -5.740 -3.695) 6.827 11.330 ( 0.000 0.907 0.225) 0.934 11.331 ( 0.000 -5.171 5.507) 7.554 11.667 ( 0.000 -2.215 0.564) 2.285 11.943 ( 0.000 -3.102 2.767) 4.157 12.019 ( 0.000 -12.742 9.834) 16.095 12.229 ( 0.000 -1.670 7.115) 7.308 12.244 ( 0.000 -20.796 -2.802) 20.984 12.455 ( 0.000 17.684 -1.901) 17.785 13.050 ( 0.000 5.548 2.396) 6.043 13.106 ( 0.000 10.358 -9.668) 14.169 13.345 ( 0.000 -27.147 4.607) 27.535 13.428 ( 0.000 0.412 -2.540) 2.574 13.789 ( 0.000 11.554 -2.736) 11.874 13.997 ( 0.000 -6.530 -1.555) 6.713 14.318 ( 0.000 9.790 5.213) 11.091 14.336 ( 0.000 -3.298 -4.579) 5.643 14.592 ( 0.000 -19.982 1.434) 20.034 14.751 ( 0.000 29.246 0.338) 29.248 15.541 ( 0.000 23.269 -8.265) 24.693 15.750 ( 0.000 -13.606 0.201) 13.608 15.954 ( 0.000 4.674 -12.254) 13.115 16.135 ( 0.000 -9.579 -5.700) 11.146 16.177 ( 0.000 8.096 -5.508) 9.792 16.430 ( 0.000 0.748 9.507) 9.537 16.817 ( 0.000 5.435 -6.658) 8.595 17.208 ( 0.000 -11.511 6.175) 13.063 17.246 ( 0.000 -8.222 0.076) 8.222 17.369 ( 0.000 -4.249 -4.496) 6.186 17.746 ( 0.000 -5.361 -18.045) 18.824 17.788 ( 0.000 -5.520 -7.915) 9.649 17.963 ( 0.000 -5.096 1.429) 5.292 18.031 ( 0.000 -0.133 -21.286) 21.286 18.238 ( 0.000 12.739 -14.307) 19.157 18.260 ( 0.000 9.591 2.220) 9.844 18.452 ( 0.000 -4.130 -16.938) 17.435 18.782 ( 0.000 3.718 -1.706) 4.091 18.992 ( 0.000 5.781 -6.715) 8.861 19.159 ( 0.000 -0.908 -3.458) 3.575 19.679 ( 0.000 -10.828 -13.477) 17.288 19.746 ( 0.000 -15.038 -19.740) 24.815 20.198 ( 0.000 1.992 -2.356) 3.085 20.308 ( 0.000 -8.689 1.926) 8.900 20.349 ( 0.000 13.372 -9.808) 16.583 20.381 ( 0.000 8.186 -24.231) 25.576 20.702 ( 0.000 5.834 -1.324) 5.982 20.801 ( 0.000 -5.737 1.193) 5.860 21.307 ( 0.000 2.232 -28.417) 28.504 21.524 ( 0.000 -2.386 -9.474) 9.770 21.546 ( 0.000 4.392 7.811) 8.961 21.656 ( 0.000 1.845 0.416) 1.891 22.007 ( 0.000 -4.197 -8.995) 9.926 22.049 ( 0.000 0.318 -21.096) 21.099 22.595 ( 0.000 2.120 -17.934) 18.059 22.607 ( 0.000 3.174 -14.635) 14.976 22.881 ( 0.000 1.679 12.375) 12.488 23.152 ( 0.000 -0.447 -11.910) 11.919 23.272 ( 0.000 2.217 -6.255) 6.636 23.732 ( 0.000 -9.635 15.687) 18.410 23.996 ( 0.000 8.499 14.500) 16.807 24.681 ( 0.000 -7.703 -8.474) 11.452 24.814 ( 0.000 5.560 -16.292) 17.215 24.822 ( 0.000 -5.945 -2.546) 6.467 25.124 ( 0.000 -6.657 -13.312) 14.884 25.571 ( 0.000 2.385 9.073) 9.381 25.925 ( 0.000 12.629 -13.020) 18.139 26.001 ( 0.000 15.059 -5.463) 16.019 26.408 ( 0.000 3.706 -11.978) 12.538 27.135 ( 0.000 -11.710 1.790) 11.846 27.464 ( 0.000 -41.612 9.824) 42.756 27.580 ( 0.000 -19.844 -1.484) 19.899 27.853 ( 0.000 2.073 -2.784) 3.471 28.384 ( 0.000 7.765 -6.034) 9.834 28.721 ( 0.000 7.891 20.521) 21.986 28.853 ( 0.000 -3.702 10.004) 10.667 29.212 ( 0.000 -3.850 19.940) 20.308 29.597 ( 0.000 0.067 7.996) 7.996 29.768 ( 0.000 0.635 14.848) 14.862 29.900 ( 0.000 19.207 4.147) 19.650 29.964 ( 0.000 1.909 4.159) 4.576 30.202 ( 0.000 -7.053 8.621) 11.139 30.320 ( 0.000 1.682 8.542) 8.706 30.334 ( 0.000 -2.611 9.250) 9.612 30.459 ( 0.000 2.030 13.899) 14.046 30.703 ( 0.000 -10.554 -6.538) 12.415 30.723 ( 0.000 6.569 8.959) 11.110 31.019 ( 0.000 -5.115 7.808) 9.334 31.509 ( 0.000 3.037 -2.279) 3.797 31.600 ( 0.000 11.295 -4.181) 12.044 32.254 ( 0.000 8.251 28.783) 29.942 32.664 ( 0.000 -2.452 18.659) 18.819 32.711 ( 0.000 9.263 3.885) 10.045 33.268 ( 0.000 -5.245 14.093) 15.037 33.305 ( 0.000 2.358 -2.242) 3.253 33.517 ( 0.000 -4.465 -3.463) 5.651 33.664 ( 0.000 0.995 10.052) 10.101 33.717 ( 0.000 -1.399 24.985) 25.024 34.727 ( 0.000 1.562 9.186) 9.318 34.887 ( 0.000 -4.034 3.607) 5.411 35.883 ( 0.000 7.822 1.404) 7.947 36.110 ( 0.000 3.752 7.832) 8.685 36.180 ( 0.000 -1.697 -4.145) 4.479 36.259 ( 0.000 5.934 -0.863) 5.997 37.166 ( 0.000 6.062 -22.366) 23.173 37.930 ( 0.000 -9.327 -40.556) 41.614 ======================= Grid point 113 (42/84) ======================= q-point: ( 0.17 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -1.248 6.254 15.350) 16.622 2.634 ( 6.762 -0.731 19.779) 20.916 2.775 ( 3.221 -0.241 5.389) 6.283 2.838 ( -1.500 2.154 0.977) 2.801 2.929 ( 1.773 3.591 2.737) 4.851 3.024 ( 1.440 -12.708 4.540) 13.571 3.152 ( -1.021 -0.506 -0.408) 1.210 3.231 ( -2.682 -1.657 6.342) 7.082 3.319 ( 3.081 4.674 -3.023) 6.362 3.488 ( -1.321 6.115 -3.800) 7.319 3.563 ( 0.387 -0.477 -0.040) 0.615 3.640 ( 0.541 0.714 8.715) 8.761 4.935 ( 6.408 17.342 19.989) 27.228 5.215 ( 15.336 4.683 25.013) 29.711 5.460 ( 5.797 5.931 10.091) 13.062 5.744 ( 3.627 -2.574 0.173) 4.451 5.903 ( 6.065 9.269 -1.152) 11.137 6.172 ( 7.318 -6.361 14.760) 17.660 6.472 ( 3.371 2.312 22.046) 22.421 6.640 ( 0.125 -10.428 1.562) 10.545 6.798 ( -4.923 -16.262 9.201) 19.322 6.831 ( -1.979 -2.360 12.948) 13.310 7.076 ( 6.807 -11.153 26.655) 29.685 7.437 ( -3.095 -10.150 16.729) 19.811 7.510 ( 8.607 13.709 28.861) 33.091 7.619 ( -2.656 0.905 20.683) 20.872 7.843 ( -8.055 -6.971 -1.656) 10.780 7.981 ( 8.663 -0.179 37.978) 38.954 8.127 ( -5.892 -0.228 8.923) 10.695 8.330 ( 5.046 -4.103 8.314) 10.555 8.668 ( -4.707 9.869 7.995) 13.545 9.087 ( 8.431 10.010 14.220) 19.326 9.345 ( 4.490 10.660 5.230) 12.695 9.549 ( 6.294 -3.014 17.612) 18.944 9.690 ( -11.952 -5.989 3.508) 13.821 9.916 ( 2.567 -4.859 4.942) 7.391 10.032 ( -7.705 8.463 -0.997) 11.489 10.522 ( 3.016 13.986 0.874) 14.334 10.665 ( -6.252 1.031 13.167) 14.612 11.009 ( -14.046 -1.831 -4.625) 14.901 11.147 ( -14.755 -1.003 3.643) 15.231 11.436 ( -8.041 0.218 -1.047) 8.112 11.607 ( 0.757 -11.933 2.998) 12.328 11.733 ( -4.908 6.408 2.569) 8.470 11.945 ( -10.317 -16.799 12.487) 23.336 12.163 ( -6.613 -19.523 -6.756) 21.692 12.327 ( -5.367 15.217 1.062) 16.171 12.522 ( 18.428 -3.435 0.297) 18.748 12.990 ( -7.052 5.527 1.762) 9.132 13.048 ( -3.147 1.979 -2.210) 4.324 13.387 ( -0.598 -10.586 -0.539) 10.616 13.466 ( 2.609 4.573 -2.988) 6.054 13.776 ( -0.146 5.691 -3.954) 6.931 14.038 ( 1.151 -11.844 -4.359) 12.673 14.288 ( -0.884 -6.020 -4.975) 7.859 14.425 ( 8.546 6.430 4.927) 11.776 14.595 ( 1.901 -11.251 2.725) 11.731 14.867 ( 11.395 25.894 2.379) 28.390 15.449 ( -6.604 22.111 -5.688) 23.767 15.798 ( 4.573 -13.664 -0.060) 14.409 16.064 ( -6.351 3.639 -0.438) 7.333 16.156 ( 10.792 1.262 -15.225) 18.705 16.193 ( 7.483 -3.903 -3.969) 9.326 16.442 ( 1.308 0.776 6.918) 7.084 16.801 ( -2.884 5.721 -2.715) 6.958 17.045 ( -10.571 -7.424 1.210) 12.974 17.254 ( -3.777 -5.059 -2.597) 6.827 17.348 ( -6.728 0.383 -4.605) 8.162 17.631 ( -0.589 -7.158 -14.930) 16.567 17.736 ( -8.678 3.413 -8.378) 12.536 17.922 ( 0.367 -5.726 3.205) 6.572 18.099 ( -2.152 -0.486 -16.268) 16.417 18.255 ( 1.762 5.553 -6.651) 8.841 18.345 ( 9.316 -4.935 -17.091) 20.081 18.486 ( 3.764 1.136 -15.885) 16.364 18.830 ( 4.493 5.629 -0.701) 7.236 18.984 ( 0.218 0.316 -4.999) 5.014 19.259 ( 9.246 1.872 -3.223) 9.969 19.672 ( 0.193 -12.453 -13.052) 18.040 19.774 ( -0.842 -8.420 -13.248) 15.720 19.941 ( -12.995 1.821 -4.319) 13.815 20.275 ( -3.166 -0.348 -15.023) 15.357 20.372 ( 0.383 8.359 -17.222) 19.148 20.534 ( 2.387 5.819 -3.959) 7.432 20.777 ( 12.400 2.703 -2.992) 13.039 20.846 ( 4.225 -2.310 -1.209) 4.965 21.266 ( -3.572 2.572 -27.401) 27.753 21.468 ( -3.856 5.076 -4.605) 7.864 21.594 ( 3.899 -3.318 0.182) 5.123 21.707 ( 3.749 0.264 0.043) 3.759 21.969 ( -3.645 -3.403 -8.089) 9.502 22.037 ( -2.048 -0.520 -15.947) 16.087 22.564 ( 0.035 2.672 -13.827) 14.082 22.631 ( 2.435 2.735 -12.359) 12.891 23.032 ( 12.014 -1.696 6.960) 13.988 23.130 ( -3.530 -2.178 -10.162) 10.976 23.242 ( -0.561 4.874 -3.810) 6.212 23.800 ( 6.348 -9.842 14.141) 18.361 24.052 ( 5.176 8.492 12.389) 15.887 24.557 ( -11.332 -3.882 -7.201) 13.976 24.798 ( 1.417 -3.157 -7.625) 8.373 24.935 ( 5.808 -1.481 -13.082) 14.390 25.126 ( 1.780 -4.599 -12.834) 13.748 25.585 ( 1.075 2.953 6.978) 7.653 25.823 ( -8.420 16.345 -13.328) 22.709 26.002 ( 0.542 13.214 -4.854) 14.088 26.464 ( 2.642 0.049 -6.599) 7.108 26.838 ( -25.606 -14.944 7.102) 30.486 27.435 ( -8.766 -12.327 -0.524) 15.135 27.593 ( 6.857 -28.365 1.051) 29.201 27.800 ( -6.602 -5.662 -7.942) 11.778 28.262 ( -10.813 3.745 -4.596) 12.331 28.750 ( 1.420 11.442 12.385) 16.921 28.959 ( 11.175 -9.154 18.293) 23.309 29.216 ( -1.744 -5.210 18.638) 19.431 29.602 ( -5.873 4.216 3.788) 8.162 29.665 ( -3.851 14.347 9.739) 17.763 29.825 ( 3.405 -0.392 11.086) 11.604 30.018 ( 2.823 2.557 10.855) 11.504 30.083 ( -13.897 -12.012 14.124) 23.172 30.196 ( -1.231 -0.269 7.661) 7.764 30.391 ( 0.786 4.969 7.870) 9.340 30.486 ( 0.251 -1.286 13.379) 13.443 30.877 ( 9.378 -4.189 9.571) 14.039 30.959 ( 10.725 1.748 -4.629) 11.812 31.068 ( 15.974 0.116 0.775) 15.993 31.552 ( 3.290 5.649 -4.723) 8.065 31.657 ( 6.480 7.168 -0.649) 9.685 32.225 ( -2.719 8.363 28.356) 29.688 32.691 ( 3.099 -3.913 15.390) 16.180 32.731 ( 0.500 8.376 0.494) 8.406 33.214 ( -5.309 0.715 5.164) 7.441 33.292 ( -1.834 -5.643 15.211) 16.327 33.387 ( -2.981 -3.178 6.896) 8.157 33.725 ( 3.294 2.108 7.200) 8.194 33.904 ( 9.939 -2.817 10.977) 15.074 34.763 ( 4.953 1.969 8.637) 10.149 34.950 ( 8.802 -3.089 2.745) 9.724 35.788 ( -9.454 7.436 2.069) 12.204 36.100 ( -1.240 0.326 4.368) 4.552 36.204 ( 0.898 2.152 -1.604) 2.830 36.312 ( 5.848 6.725 -3.496) 9.574 37.073 ( -8.684 4.401 -18.982) 21.333 37.816 ( -11.928 -9.538 -37.612) 40.595 ======================= Grid point 114 (43/84) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 3.848 6.735 8.976) 11.863 2.729 ( -4.482 1.984 2.429) 5.471 2.772 ( 5.009 -0.809 9.498) 10.769 2.857 ( 1.536 -2.374 3.419) 4.437 2.987 ( 4.364 1.757 4.681) 6.636 3.065 ( 2.819 -8.296 5.580) 10.388 3.146 ( -0.201 -3.613 0.341) 3.634 3.163 ( -4.116 -2.515 5.030) 6.970 3.362 ( 1.401 5.390 -0.933) 5.647 3.446 ( -2.958 6.807 -2.047) 7.699 3.587 ( 2.035 -1.608 1.684) 3.092 3.643 ( -0.406 -1.599 3.914) 4.248 5.121 ( 13.719 14.163 21.426) 29.118 5.523 ( 14.502 4.345 12.939) 19.915 5.602 ( 3.984 1.514 14.367) 14.986 5.783 ( 4.064 9.627 7.543) 12.887 5.947 ( -1.391 4.786 0.264) 4.991 6.324 ( 1.995 5.452 6.911) 9.026 6.514 ( 5.512 -3.051 11.639) 13.235 6.673 ( 0.096 -18.782 7.910) 20.380 6.748 ( 3.236 -6.795 5.915) 9.573 6.760 ( -5.028 -9.085 15.213) 18.419 7.132 ( 0.170 -10.266 11.516) 15.429 7.326 ( -4.534 0.590 33.811) 34.119 7.551 ( -10.475 3.278 28.148) 30.213 7.624 ( -4.363 1.924 3.755) 6.070 7.889 ( 9.597 -5.900 17.420) 20.745 8.042 ( 12.226 1.248 7.334) 14.311 8.298 ( 4.178 -2.924 35.990) 36.349 8.412 ( 27.466 -0.476 32.727) 42.728 8.792 ( 14.761 6.761 5.482) 17.136 9.218 ( 4.439 8.204 2.968) 9.789 9.376 ( -10.070 8.227 7.572) 15.048 9.442 ( -14.683 7.945 11.469) 20.255 9.508 ( -7.680 3.579 16.591) 18.630 9.864 ( -2.828 4.232 0.621) 5.128 10.014 ( 0.556 -9.147 3.411) 9.779 10.372 ( -23.226 0.875 14.109) 27.189 10.449 ( -11.675 0.814 4.105) 12.403 10.747 ( -16.624 -1.617 4.485) 17.294 10.875 ( -1.575 6.942 -3.401) 7.889 11.216 ( -13.514 -7.526 -7.752) 17.302 11.614 ( 9.058 3.527 4.116) 10.556 11.797 ( -3.327 -20.142 5.479) 21.138 11.876 ( 2.319 -15.692 -1.921) 15.978 12.062 ( -4.146 5.320 -6.376) 9.282 12.225 ( 1.937 6.632 3.297) 7.655 12.786 ( -14.056 4.191 1.486) 14.743 12.897 ( 16.453 -4.562 0.953) 17.101 13.045 ( 5.427 0.471 -0.719) 5.495 13.261 ( -10.383 3.923 -3.379) 11.602 13.491 ( -1.714 7.067 -0.024) 7.272 13.789 ( 0.762 -1.643 -6.885) 7.119 13.937 ( -9.052 -15.324 -12.585) 21.798 14.369 ( 7.481 -11.393 -0.339) 13.634 14.535 ( 0.473 -18.572 1.903) 18.675 14.750 ( 15.819 15.810 6.888) 23.402 15.106 ( 10.489 19.354 5.833) 22.773 15.351 ( -2.188 24.980 -5.508) 25.673 15.770 ( -12.316 9.840 1.006) 15.797 16.013 ( 7.449 -18.402 4.224) 20.297 16.250 ( 4.649 -11.826 -1.148) 12.758 16.449 ( -1.891 -3.992 3.587) 5.690 16.473 ( 11.143 -3.706 -13.615) 17.980 16.715 ( -2.479 8.501 2.153) 9.113 16.854 ( -8.960 1.818 -1.825) 9.323 17.112 ( -9.073 8.404 -3.636) 12.891 17.210 ( -7.941 3.336 -14.433) 16.807 17.590 ( -0.191 6.095 -10.711) 12.325 17.750 ( 4.976 -8.914 -6.926) 12.336 17.879 ( -4.100 -3.999 -1.121) 5.836 18.017 ( -5.029 1.236 -8.879) 10.279 18.290 ( 2.285 -2.714 -16.199) 16.583 18.415 ( -1.672 -3.815 -13.194) 13.836 18.657 ( 12.464 -9.692 -19.241) 24.890 18.934 ( 3.139 -2.126 -4.362) 5.780 18.999 ( 4.407 3.344 -0.557) 5.560 19.441 ( 5.442 1.312 -0.846) 5.662 19.547 ( -10.894 1.629 -2.021) 11.199 19.709 ( -0.344 -4.748 -5.939) 7.611 19.918 ( 4.936 -4.531 -17.445) 18.687 20.197 ( -5.951 1.727 -18.469) 19.481 20.377 ( 1.219 5.153 -13.379) 14.389 20.495 ( -3.815 7.730 -9.228) 12.628 20.930 ( 5.882 1.269 -9.468) 11.218 21.074 ( 15.372 2.266 -6.320) 16.775 21.189 ( -5.140 2.263 -24.946) 25.571 21.405 ( -3.342 4.373 -5.718) 7.936 21.680 ( 5.439 -3.660 -1.487) 6.722 21.759 ( 1.796 -1.640 -1.457) 2.835 21.884 ( -5.109 -1.658 -5.264) 7.521 21.962 ( -5.890 -1.099 -7.397) 9.519 22.646 ( 8.648 0.877 -11.715) 14.588 22.712 ( 6.615 1.547 -6.476) 9.386 23.010 ( -8.252 -1.728 -5.844) 10.258 23.067 ( -7.569 -2.265 -5.101) 9.404 23.452 ( 20.538 2.087 6.106) 21.527 23.938 ( 7.831 -8.118 10.596) 15.476 24.121 ( -0.203 3.006 9.527) 9.992 24.296 ( -15.666 -0.673 -0.096) 15.681 24.844 ( 3.477 -4.918 -9.595) 11.328 24.972 ( -1.293 -1.273 -13.674) 13.794 25.247 ( 10.141 1.957 -14.540) 17.835 25.568 ( -4.887 7.059 -5.535) 10.216 25.725 ( 1.360 15.040 -3.317) 15.461 26.044 ( 4.578 8.933 -1.585) 10.162 26.314 ( -25.626 -10.868 5.395) 28.354 26.415 ( -10.788 1.741 1.573) 11.040 27.373 ( 3.434 -4.191 -5.320) 7.593 27.651 ( -7.564 -12.920 -5.530) 15.960 27.705 ( 4.834 -19.820 -8.741) 22.195 28.035 ( -12.968 -2.251 -6.748) 14.791 28.788 ( 3.298 9.070 8.295) 12.725 29.063 ( -11.313 1.157 9.898) 15.076 29.210 ( 14.400 -11.995 20.734) 27.949 29.566 ( 1.864 4.920 15.334) 16.212 29.702 ( 2.482 4.387 12.067) 13.077 29.840 ( -10.317 -11.273 17.342) 23.114 29.898 ( 3.372 -2.630 12.261) 12.985 30.032 ( -1.954 -2.843 7.983) 8.696 30.198 ( 2.134 7.116 11.890) 14.020 30.366 ( -3.727 7.367 10.092) 13.039 30.538 ( 5.914 -1.663 5.200) 8.049 30.825 ( -7.040 -6.468 6.843) 11.757 31.220 ( 12.949 8.078 2.234) 15.425 31.378 ( 9.515 1.746 -2.207) 9.922 31.627 ( 6.614 4.948 -1.620) 8.417 31.795 ( 5.464 2.099 -0.668) 5.891 32.200 ( 2.431 9.414 23.854) 25.760 32.630 ( -11.579 6.227 -2.142) 13.320 32.791 ( 7.371 -6.251 12.580) 15.864 33.134 ( -9.343 -6.615 13.466) 17.674 33.262 ( 9.189 2.399 9.429) 13.383 33.500 ( 10.488 -3.866 10.437) 15.293 33.698 ( -6.736 2.694 6.475) 9.724 33.931 ( -6.790 -3.757 7.792) 10.997 34.942 ( 14.101 4.485 6.531) 16.174 35.265 ( 23.934 -4.173 -1.509) 24.342 35.556 ( -15.213 7.467 2.907) 17.194 36.019 ( -9.132 -6.942 -0.469) 11.481 36.230 ( 2.601 8.735 0.351) 9.121 36.390 ( -0.655 14.154 -8.348) 16.446 36.963 ( 1.506 -3.702 -13.323) 13.909 37.519 ( -19.029 -9.693 -29.550) 36.459 ======================= Grid point 115 (44/84) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -7.100 4.861 3.711) 9.371 2.605 ( 7.100 4.861 3.711) 9.371 2.852 ( -2.329 -2.061 4.455) 5.433 2.852 ( 2.329 -2.061 4.455) 5.433 3.071 ( -4.156 -0.912 6.149) 7.477 3.071 ( 4.156 -0.912 6.149) 7.477 3.128 ( -1.943 -6.180 2.020) 6.785 3.128 ( 1.943 -6.180 2.020) 6.785 3.393 ( -2.381 6.442 -0.157) 6.869 3.393 ( 2.381 6.442 -0.157) 6.869 3.624 ( -1.656 -2.448 1.851) 3.488 3.624 ( 1.656 -2.448 1.851) 3.488 5.417 ( -16.702 6.668 19.194) 26.303 5.417 ( 16.702 6.668 19.194) 26.303 5.750 ( -10.552 8.373 7.311) 15.326 5.750 ( 10.552 8.373 7.311) 15.326 6.137 ( -17.504 8.100 9.404) 21.458 6.137 ( 17.504 8.100 9.404) 21.458 6.654 ( -1.040 -15.072 3.652) 15.543 6.654 ( 1.040 -15.072 3.652) 15.543 6.740 ( -8.052 -7.875 4.090) 11.982 6.740 ( 8.052 -7.875 4.090) 11.982 7.248 ( -14.074 -5.776 12.416) 19.636 7.248 ( 14.074 -5.776 12.416) 19.636 7.439 ( -8.210 7.241 34.345) 36.047 7.439 ( 8.210 7.241 34.345) 36.047 8.047 ( -9.028 -11.357 17.828) 22.985 8.047 ( 9.028 -11.357 17.828) 22.985 8.775 ( -34.968 10.171 21.286) 42.182 8.775 ( 34.968 10.171 21.286) 42.182 9.038 ( -29.318 7.637 25.638) 39.688 9.038 ( 29.318 7.637 25.638) 39.688 9.156 ( -10.573 1.885 6.933) 12.783 9.156 ( 10.573 1.885 6.933) 12.783 9.609 ( -23.565 1.666 7.659) 24.834 9.609 ( 23.565 1.666 7.659) 24.834 10.067 ( -17.059 6.425 -5.413) 19.015 10.067 ( 17.059 6.425 -5.413) 19.015 10.459 ( -11.452 -4.485 14.095) 18.707 10.459 ( 11.452 -4.485 14.095) 18.707 10.993 ( -9.958 -5.592 -8.928) 14.496 10.993 ( 9.958 -5.592 -8.928) 14.496 11.786 ( -2.832 -13.652 3.508) 14.377 11.786 ( 2.832 -13.652 3.508) 14.377 11.890 ( -9.983 3.422 -4.234) 11.371 11.890 ( 9.983 3.422 -4.234) 11.371 12.476 ( -18.123 3.491 1.987) 18.563 12.476 ( 18.123 3.491 1.987) 18.563 13.063 ( -7.754 4.063 -0.303) 8.759 13.063 ( 7.754 4.063 -0.303) 8.759 13.328 ( -15.283 0.365 -1.560) 15.366 13.328 ( 15.283 0.365 -1.560) 15.366 13.818 ( -3.388 -7.271 -10.622) 13.310 13.818 ( 3.388 -7.271 -10.622) 13.310 14.489 ( -4.830 -16.891 1.150) 17.606 14.489 ( 4.830 -16.891 1.150) 17.606 15.049 ( -13.446 16.701 5.563) 22.151 15.049 ( 13.446 16.701 5.563) 22.151 15.500 ( -14.407 19.819 -0.242) 24.503 15.500 ( 14.407 19.819 -0.242) 24.503 16.210 ( -11.171 -18.596 5.730) 22.437 16.210 ( 11.171 -18.596 5.730) 22.437 16.457 ( -8.001 -9.817 -2.390) 12.888 16.457 ( 8.001 -9.817 -2.390) 12.888 16.782 ( -3.555 8.954 -5.025) 10.866 16.782 ( 3.555 8.954 -5.025) 10.866 17.050 ( -5.378 13.405 -10.092) 17.620 17.050 ( 5.378 13.405 -10.092) 17.620 17.686 ( -8.238 -2.141 -11.216) 14.080 17.686 ( 8.238 -2.141 -11.216) 14.080 17.919 ( -5.790 -1.426 -3.298) 6.814 17.919 ( 5.790 -1.426 -3.298) 6.814 18.351 ( -4.091 -4.334 -16.176) 17.239 18.351 ( 4.091 -4.334 -16.176) 17.239 18.855 ( -8.297 -11.638 -12.449) 18.954 18.855 ( 8.297 -11.638 -12.449) 18.954 19.217 ( -15.228 5.805 0.909) 16.322 19.217 ( 15.228 5.805 0.909) 16.322 19.642 ( -6.911 -1.103 -1.882) 7.247 19.642 ( 6.911 -1.103 -1.882) 7.247 20.054 ( -8.729 -0.612 -18.610) 20.565 20.054 ( 8.729 -0.612 -18.610) 20.565 20.425 ( -3.475 7.067 -12.199) 14.520 20.425 ( 3.475 7.067 -12.199) 14.520 21.061 ( -7.754 1.842 -20.651) 22.135 21.061 ( 7.754 1.842 -20.651) 22.135 21.305 ( -8.600 3.037 -5.734) 10.773 21.305 ( 8.600 3.037 -5.734) 10.773 21.771 ( -2.832 -2.983 -5.057) 6.519 21.771 ( 2.832 -2.983 -5.057) 6.519 21.846 ( -4.704 -0.657 -1.062) 4.867 21.846 ( 4.704 -0.657 -1.062) 4.867 22.836 ( -9.766 -1.165 -8.009) 12.684 22.836 ( 9.766 -1.165 -8.009) 12.684 22.879 ( -10.517 0.032 -3.733) 11.160 22.879 ( 10.517 0.032 -3.733) 11.160 23.853 ( -20.619 -2.367 3.374) 21.027 23.853 ( 20.619 -2.367 3.374) 21.027 24.114 ( -6.273 -1.920 10.319) 12.228 24.114 ( 6.273 -1.920 10.319) 12.228 24.919 ( -4.029 -2.237 -11.806) 12.674 24.919 ( 4.029 -2.237 -11.806) 12.674 25.432 ( -8.904 10.435 -13.614) 19.326 25.432 ( 8.904 10.435 -13.614) 19.326 25.895 ( -16.441 -0.367 3.467) 16.807 25.895 ( 16.441 -0.367 3.467) 16.807 26.200 ( -10.844 5.503 0.641) 12.177 26.200 ( 10.844 5.503 0.641) 12.177 27.504 ( -8.461 -9.653 -5.526) 13.975 27.504 ( 8.461 -9.653 -5.526) 13.975 27.824 ( -8.835 -10.485 -9.967) 16.951 27.824 ( 8.835 -10.485 -9.967) 16.951 28.884 ( -7.379 5.868 7.190) 11.857 28.884 ( 7.379 5.868 7.190) 11.857 29.468 ( -12.204 -10.801 21.273) 26.798 29.468 ( 12.204 -10.801 21.273) 26.798 29.740 ( -2.116 1.726 16.642) 16.864 29.740 ( 2.116 1.726 16.642) 16.864 29.970 ( -4.020 -4.492 7.607) 9.706 29.970 ( 4.020 -4.492 7.607) 9.706 30.273 ( -5.417 8.747 11.664) 15.553 30.273 ( 5.417 8.747 11.664) 15.553 30.678 ( -8.404 -2.698 4.766) 10.031 30.678 ( 8.404 -2.698 4.766) 10.031 31.392 ( -5.387 6.363 0.431) 8.348 31.392 ( 5.387 6.363 0.431) 8.348 31.777 ( -6.596 1.228 3.725) 7.674 31.777 ( 6.596 1.228 3.725) 7.674 32.371 ( -14.203 7.487 6.978) 17.506 32.371 ( 14.203 7.487 6.978) 17.506 32.953 ( -9.692 -7.029 12.489) 17.301 32.953 ( 9.692 -7.029 12.489) 17.301 33.495 ( -13.416 2.533 7.440) 15.548 33.495 ( 13.416 2.533 7.440) 15.548 33.730 ( -12.914 -3.682 9.092) 16.217 33.730 ( 12.914 -3.682 9.092) 16.217 35.245 ( -17.594 6.825 4.354) 19.368 35.245 ( 17.594 6.825 4.354) 19.368 35.723 ( -22.497 -7.603 -4.014) 24.084 35.723 ( 22.497 -7.603 -4.014) 24.084 36.305 ( -5.451 14.713 -3.183) 16.010 36.305 ( 5.451 14.713 -3.183) 16.010 37.166 ( -17.483 -8.951 -19.134) 27.420 37.166 ( 17.483 -8.951 -19.134) 27.420 ======================= Grid point 119 (45/84) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 0.000 5.413 14.905) 15.858 2.664 ( 0.000 6.997 12.938) 14.709 2.738 ( 0.000 -13.355 5.683) 14.514 2.738 ( 0.000 -1.048 8.052) 8.120 2.920 ( 0.000 2.694 4.516) 5.259 2.949 ( 0.000 -0.035 3.490) 3.490 3.203 ( 0.000 1.875 1.289) 2.276 3.234 ( 0.000 -1.458 4.588) 4.814 3.373 ( 0.000 5.525 -4.561) 7.164 3.467 ( 0.000 -4.448 -4.780) 6.529 3.631 ( 0.000 3.651 1.727) 4.039 3.662 ( 0.000 0.248 6.181) 6.186 5.190 ( 0.000 8.975 29.935) 31.252 5.237 ( 0.000 13.085 22.020) 25.614 5.516 ( 0.000 4.824 14.828) 15.593 5.550 ( 0.000 -5.665 14.920) 15.959 5.963 ( 0.000 -0.114 4.864) 4.865 6.101 ( 0.000 3.012 4.876) 5.731 6.345 ( 0.000 -11.066 -2.199) 11.282 6.393 ( 0.000 -3.465 14.224) 14.640 6.673 ( 0.000 0.471 4.546) 4.570 6.802 ( 0.000 -8.114 7.903) 11.327 7.047 ( 0.000 12.719 15.953) 20.403 7.277 ( 0.000 -9.704 25.802) 27.566 7.404 ( 0.000 -7.539 16.748) 18.367 7.476 ( 0.000 -19.510 9.972) 21.911 7.798 ( 0.000 9.753 38.531) 39.746 7.917 ( 0.000 -3.125 47.115) 47.219 8.318 ( 0.000 3.523 -2.353) 4.237 8.325 ( 0.000 2.670 -8.178) 8.603 9.043 ( 0.000 19.260 -5.286) 19.973 9.152 ( 0.000 9.895 32.778) 34.239 9.315 ( 0.000 -7.780 33.217) 34.116 9.409 ( 0.000 -12.231 -9.852) 15.705 9.599 ( 0.000 1.187 4.544) 4.696 9.757 ( 0.000 -8.983 2.569) 9.343 10.541 ( 0.000 25.762 4.390) 26.134 10.770 ( 0.000 14.475 -1.921) 14.602 10.775 ( 0.000 3.697 11.572) 12.149 11.020 ( 0.000 -12.246 -3.072) 12.625 11.235 ( 0.000 -4.354 0.659) 4.403 11.271 ( 0.000 -8.029 -3.332) 8.693 11.699 ( 0.000 5.050 0.535) 5.079 11.785 ( 0.000 -7.713 11.505) 13.851 11.832 ( 0.000 -7.161 2.936) 7.739 11.880 ( 0.000 -13.953 -8.569) 16.374 12.308 ( 0.000 8.092 10.002) 12.866 12.512 ( 0.000 -11.865 7.562) 14.070 13.103 ( 0.000 0.919 -3.422) 3.543 13.156 ( 0.000 -2.750 -3.895) 4.768 13.355 ( 0.000 27.034 2.176) 27.122 13.570 ( 0.000 12.535 -8.086) 14.916 13.818 ( 0.000 -12.036 -5.181) 13.104 13.877 ( 0.000 -17.356 -3.996) 17.810 14.126 ( 0.000 -2.227 0.884) 2.396 14.240 ( 0.000 -7.054 -4.231) 8.225 14.736 ( 0.000 20.559 6.435) 21.542 15.039 ( 0.000 -5.439 1.180) 5.566 15.637 ( 0.000 7.607 0.281) 7.612 15.826 ( 0.000 -3.469 -6.680) 7.527 16.069 ( 0.000 11.804 -4.936) 12.794 16.098 ( 0.000 11.527 -5.778) 12.894 16.261 ( 0.000 -1.746 -5.334) 5.612 16.341 ( 0.000 -11.350 4.884) 12.356 16.876 ( 0.000 1.285 0.819) 1.524 16.969 ( 0.000 -11.338 7.332) 13.502 17.150 ( 0.000 0.388 -6.604) 6.615 17.242 ( 0.000 -7.772 -9.946) 12.622 17.760 ( 0.000 5.695 -14.730) 15.793 17.778 ( 0.000 2.660 0.584) 2.723 17.874 ( 0.000 -3.945 -1.595) 4.255 17.942 ( 0.000 -8.620 -19.844) 21.635 18.373 ( 0.000 3.890 -20.664) 21.027 18.406 ( 0.000 -0.972 -21.588) 21.610 18.503 ( 0.000 14.346 7.921) 16.388 18.734 ( 0.000 -9.347 8.568) 12.680 19.126 ( 0.000 7.427 -8.678) 11.422 19.180 ( 0.000 1.860 -12.125) 12.267 19.499 ( 0.000 -6.710 -14.815) 16.264 19.520 ( 0.000 -8.603 -18.804) 20.679 20.197 ( 0.000 -2.185 -2.250) 3.137 20.198 ( 0.000 -2.056 -2.299) 3.084 20.548 ( 0.000 9.447 -21.065) 23.087 20.565 ( 0.000 9.614 -5.959) 11.311 20.698 ( 0.000 -5.336 -13.366) 14.392 20.703 ( 0.000 -5.464 -3.077) 6.271 21.380 ( 0.000 4.824 -13.432) 14.272 21.462 ( 0.000 -4.092 -7.606) 8.637 21.639 ( 0.000 4.211 3.235) 5.310 21.668 ( 0.000 -0.025 -0.530) 0.531 21.955 ( 0.000 0.370 -9.446) 9.453 22.021 ( 0.000 -4.228 -11.807) 12.542 22.637 ( 0.000 2.006 -17.835) 17.947 22.650 ( 0.000 0.934 -17.196) 17.221 22.986 ( 0.000 9.326 3.463) 9.948 23.122 ( 0.000 -3.858 -8.494) 9.329 23.324 ( 0.000 4.251 -2.580) 4.973 23.487 ( 0.000 -13.916 7.253) 15.693 24.237 ( 0.000 16.009 11.540) 19.735 24.518 ( 0.000 -13.078 3.234) 13.472 24.746 ( 0.000 1.915 -8.376) 8.592 24.854 ( 0.000 -6.105 -8.887) 10.782 25.137 ( 0.000 13.926 -3.231) 14.296 25.461 ( 0.000 -15.700 9.148) 18.171 26.144 ( 0.000 9.600 -15.216) 17.992 26.239 ( 0.000 1.827 -10.660) 10.816 26.503 ( 0.000 14.631 -4.993) 15.459 26.852 ( 0.000 -18.794 -0.278) 18.796 27.068 ( 0.000 -0.622 0.024) 0.622 27.243 ( 0.000 -16.065 -3.968) 16.547 27.942 ( 0.000 8.909 2.225) 9.183 28.196 ( 0.000 -17.862 4.273) 18.366 28.883 ( 0.000 9.945 20.743) 23.004 29.053 ( 0.000 -3.034 12.121) 12.495 29.149 ( 0.000 17.674 14.464) 22.838 29.517 ( 0.000 -12.523 7.935) 14.825 29.778 ( 0.000 0.890 14.094) 14.122 29.867 ( 0.000 -11.789 14.303) 18.535 30.014 ( 0.000 3.244 4.498) 5.545 30.071 ( 0.000 -3.087 4.464) 5.427 30.346 ( 0.000 3.391 11.676) 12.159 30.429 ( 0.000 -3.287 18.510) 18.800 30.486 ( 0.000 8.461 5.011) 9.834 30.670 ( 0.000 -9.515 7.871) 12.349 30.776 ( 0.000 13.368 -7.431) 15.295 30.954 ( 0.000 -4.975 4.702) 6.846 31.605 ( 0.000 6.701 -7.206) 9.840 31.690 ( 0.000 -0.985 -6.343) 6.419 32.438 ( 0.000 10.215 23.403) 25.536 32.588 ( 0.000 -6.124 20.192) 21.100 32.915 ( 0.000 12.214 9.201) 15.292 33.125 ( 0.000 -10.242 13.641) 17.058 33.358 ( 0.000 3.384 -3.809) 5.095 33.429 ( 0.000 -4.570 -4.952) 6.739 33.678 ( 0.000 0.588 14.823) 14.835 33.692 ( 0.000 -1.107 20.464) 20.494 34.762 ( 0.000 2.272 7.890) 8.210 34.813 ( 0.000 -3.575 5.970) 6.959 36.031 ( 0.000 7.211 -2.876) 7.763 36.130 ( 0.000 -3.920 -4.194) 5.741 36.207 ( 0.000 6.592 8.851) 11.036 36.304 ( 0.000 -2.274 4.969) 5.464 37.374 ( 0.000 16.279 -33.890) 37.597 37.689 ( 0.000 -16.522 -39.665) 42.969 ======================= Grid point 120 (46/84) ======================= q-point: ( 0.17 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 2.676 6.564 11.510) 13.518 2.685 ( 2.512 5.641 12.246) 13.714 2.748 ( 1.766 -8.083 5.652) 10.020 2.770 ( 1.711 -5.258 5.192) 7.586 2.922 ( 0.586 2.366 5.990) 6.467 2.959 ( 1.118 -0.727 3.880) 4.102 3.160 ( -3.255 1.398 1.497) 3.846 3.195 ( -3.600 -2.173 4.535) 6.184 3.413 ( 3.056 5.147 -3.617) 6.994 3.494 ( 2.215 -3.533 -3.413) 5.388 3.608 ( -2.283 3.633 1.721) 4.623 3.647 ( -1.585 -0.575 5.181) 5.448 5.280 ( 8.221 13.865 22.759) 27.889 5.343 ( 11.353 8.937 23.614) 27.683 5.518 ( 3.788 2.590 15.109) 15.790 5.679 ( 9.437 -6.047 12.004) 16.423 6.044 ( 5.523 4.183 4.248) 8.127 6.185 ( 9.174 -1.581 5.907) 11.025 6.358 ( 1.658 -4.958 -2.661) 5.866 6.441 ( 5.002 -3.598 14.558) 15.809 6.609 ( -7.002 -0.127 6.199) 9.352 6.821 ( -3.905 -17.450 13.535) 22.427 6.955 ( -1.322 11.467 15.027) 18.949 7.200 ( -1.098 -14.489 14.033) 20.201 7.546 ( 10.934 0.233 17.766) 20.862 7.649 ( 7.497 -10.295 14.468) 19.275 7.805 ( 4.091 11.443 38.026) 39.921 7.949 ( 5.073 -4.288 37.958) 38.535 8.176 ( -9.914 4.795 9.176) 14.335 8.263 ( -7.101 -4.094 9.026) 12.193 8.956 ( -3.293 20.797 0.396) 21.060 9.280 ( 7.953 7.042 21.973) 24.406 9.380 ( 1.215 -16.855 -0.449) 16.904 9.462 ( 8.647 -7.272 15.819) 19.439 9.579 ( 0.051 9.559 2.946) 10.003 9.755 ( 0.451 -8.592 2.543) 8.972 10.404 ( -14.219 21.869 6.642) 26.918 10.659 ( -15.336 -5.091 12.600) 20.490 10.758 ( -3.211 12.602 1.628) 13.106 10.964 ( -6.670 -6.631 -1.717) 9.561 11.162 ( -3.424 6.468 -1.901) 7.561 11.389 ( 1.309 -14.274 0.711) 14.351 11.517 ( -13.163 7.431 -0.389) 15.120 11.649 ( -11.131 -8.728 6.072) 15.393 11.761 ( -9.581 -4.936 2.359) 11.033 11.833 ( 1.771 -11.511 -1.734) 11.775 12.440 ( 13.791 1.121 3.914) 14.379 12.511 ( 2.427 -4.038 2.115) 5.164 13.008 ( -8.534 2.745 -0.458) 8.976 13.070 ( -9.235 -0.349 1.010) 9.296 13.383 ( 1.689 13.160 -4.854) 14.128 13.684 ( 8.039 12.256 -6.550) 16.054 13.744 ( -5.618 -14.805 -5.939) 16.912 13.957 ( 2.008 3.338 -4.504) 5.955 14.085 ( -0.650 -10.963 1.215) 11.050 14.211 ( -2.229 -11.445 -2.588) 11.943 14.840 ( 10.964 21.004 6.632) 24.604 15.146 ( 11.135 -4.922 2.012) 12.340 15.641 ( 0.496 5.689 1.633) 5.939 15.820 ( -0.323 5.506 -3.311) 6.433 15.965 ( -4.946 3.745 -0.994) 6.283 16.227 ( -4.649 5.040 -4.965) 8.466 16.258 ( 7.147 0.173 -10.420) 12.637 16.306 ( -0.892 -13.393 4.132) 14.044 16.895 ( 1.297 5.822 2.656) 6.530 16.991 ( 1.916 -0.453 -1.504) 2.478 17.141 ( -1.941 -3.898 -2.241) 4.897 17.247 ( 0.950 -10.627 -8.314) 13.526 17.609 ( -5.569 7.081 -9.720) 13.253 17.757 ( -5.803 -6.322 -4.497) 9.689 17.895 ( 2.613 6.208 -5.780) 8.875 18.043 ( 3.285 -7.573 -12.411) 14.905 18.275 ( -4.680 0.974 -18.775) 19.374 18.315 ( -4.906 -0.768 -14.884) 15.690 18.582 ( 2.282 9.711 -6.313) 11.805 18.783 ( 2.253 -9.996 0.267) 10.250 19.082 ( -0.040 9.738 -5.580) 11.223 19.251 ( 4.855 -6.199 -6.869) 10.449 19.526 ( 5.172 0.432 -15.908) 16.733 19.625 ( 5.979 -7.749 -15.697) 18.498 20.023 ( -9.537 7.010 -3.508) 12.345 20.178 ( -2.956 -8.753 -5.215) 10.609 20.525 ( -3.142 8.718 -19.360) 21.463 20.629 ( -2.761 0.242 -11.402) 11.734 20.785 ( 14.242 0.557 -7.629) 16.166 20.822 ( 11.002 -1.520 -4.701) 12.061 21.358 ( -2.279 6.451 -16.231) 17.614 21.465 ( -0.446 -4.835 -11.051) 12.070 21.628 ( -0.195 5.126 4.223) 6.644 21.686 ( 1.465 -1.859 -0.471) 2.413 21.926 ( -2.752 0.509 -7.067) 7.601 21.994 ( -2.837 -4.603 -7.393) 9.159 22.627 ( 0.164 3.474 -15.926) 16.301 22.661 ( 1.346 0.047 -14.739) 14.800 23.035 ( 2.920 2.161 -0.731) 3.705 23.086 ( -3.701 -2.753 -7.852) 9.107 23.357 ( 5.096 8.437 1.458) 9.964 23.565 ( 7.524 -13.855 7.158) 17.315 24.249 ( -0.283 11.750 8.662) 14.600 24.448 ( -7.658 -9.076 1.361) 11.953 24.770 ( 3.375 4.078 -9.050) 10.485 24.923 ( 7.653 -8.886 -9.543) 15.119 25.151 ( 1.182 15.562 -2.200) 15.761 25.489 ( 2.270 -15.593 7.849) 17.604 26.106 ( -3.374 12.451 -13.553) 18.711 26.228 ( -1.403 2.314 -8.650) 9.063 26.428 ( -8.462 6.486 -2.118) 10.870 26.633 ( -16.656 -9.053 1.624) 19.026 27.177 ( 5.833 -6.621 -5.846) 10.585 27.253 ( 3.211 -12.803 -5.601) 14.339 27.842 ( -10.398 9.184 -0.216) 13.875 28.098 ( -10.345 -16.611 1.835) 19.655 28.936 ( 5.721 5.528 20.992) 22.449 29.025 ( -2.077 5.634 9.036) 10.849 29.142 ( -0.816 8.515 19.981) 21.735 29.491 ( -3.124 -16.932 9.191) 19.517 29.801 ( 1.715 -0.233 13.735) 13.844 29.825 ( -3.816 -4.215 15.325) 16.346 29.916 ( -6.448 7.119 5.671) 11.155 30.027 ( -3.951 -4.168 5.539) 7.979 30.298 ( -0.367 7.993 11.387) 13.917 30.414 ( 0.319 -4.183 13.950) 14.568 30.505 ( 0.815 5.855 8.675) 10.497 30.670 ( 0.334 -11.896 7.225) 13.922 31.082 ( 22.751 5.999 -5.657) 24.199 31.123 ( 14.849 1.975 3.103) 15.298 31.649 ( 3.708 5.703 -8.085) 10.566 31.723 ( 3.469 -0.928 -6.383) 7.323 32.412 ( -2.031 10.812 23.032) 25.525 32.584 ( 0.192 -7.776 18.679) 20.234 32.920 ( -1.396 11.508 5.927) 13.019 33.123 ( -3.039 -10.094 11.725) 15.767 33.262 ( -4.256 2.300 6.072) 7.763 33.320 ( -3.320 -3.769 7.081) 8.682 33.774 ( 5.221 3.246 8.893) 10.811 33.840 ( 7.790 -3.880 9.971) 13.235 34.813 ( 6.926 3.495 7.008) 10.455 34.883 ( 8.797 -4.001 4.881) 10.827 35.939 ( -8.933 8.088 -0.313) 12.055 36.059 ( -6.448 -4.760 -0.718) 8.047 36.286 ( 6.010 6.094 3.026) 9.078 36.372 ( 7.437 -1.605 1.407) 7.737 37.257 ( -11.911 15.698 -30.079) 35.959 37.571 ( -12.264 -16.723 -36.187) 41.708 ======================= Grid point 121 (47/84) ======================= q-point: ( 0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 3.257 8.289 6.321) 10.921 2.748 ( 2.918 1.036 7.417) 8.037 2.768 ( -0.983 -2.244 1.417) 2.830 2.789 ( 1.536 -4.399 4.744) 6.649 2.961 ( 3.672 -0.385 7.949) 8.764 2.995 ( 2.871 -2.208 5.516) 6.599 3.106 ( -2.639 -0.399 3.065) 4.064 3.122 ( -4.023 -1.802 5.414) 6.982 3.458 ( 1.842 4.887 -1.322) 5.388 3.529 ( 0.991 -1.291 -1.654) 2.321 3.557 ( -2.473 2.028 1.931) 3.736 3.609 ( -2.302 -2.275 3.064) 4.457 5.454 ( 10.133 19.506 17.663) 28.198 5.596 ( 12.545 1.520 17.048) 21.221 5.633 ( 6.953 4.695 13.602) 15.981 5.862 ( 9.462 -10.856 11.080) 18.170 6.086 ( -0.731 12.430 6.827) 14.200 6.301 ( 0.708 -14.018 4.195) 14.650 6.431 ( -7.481 1.620 6.699) 10.172 6.483 ( 7.003 2.948 4.508) 8.834 6.515 ( 0.046 -6.422 15.238) 16.536 6.747 ( 7.382 -9.395 8.966) 14.938 7.013 ( -0.793 5.656 1.717) 5.964 7.226 ( -0.465 -11.587 20.465) 23.523 7.578 ( -7.138 1.615 20.928) 22.171 7.623 ( 1.049 -2.287 17.511) 17.691 7.876 ( -10.526 4.498 23.955) 26.549 7.993 ( -6.221 -6.411 15.132) 17.572 8.295 ( 26.296 3.814 34.897) 43.861 8.379 ( 32.943 -3.870 36.794) 49.538 9.014 ( 8.867 16.640 2.860) 19.071 9.319 ( -3.004 -13.711 6.866) 15.626 9.392 ( -1.051 8.683 5.238) 10.195 9.491 ( -6.628 -2.098 3.826) 7.935 9.672 ( 1.039 11.357 6.065) 12.917 9.847 ( 4.374 -8.502 2.845) 9.976 10.051 ( -16.113 13.741 16.175) 26.647 10.267 ( -19.866 -9.124 18.062) 28.358 10.581 ( -16.450 9.206 2.067) 18.964 10.703 ( -19.251 -3.801 5.291) 20.324 11.056 ( -6.563 13.048 -3.965) 15.134 11.136 ( -12.965 1.540 0.267) 13.059 11.391 ( -8.099 -19.467 3.382) 21.354 11.449 ( -9.493 -22.550 -6.526) 25.322 11.820 ( 17.973 15.416 0.897) 23.696 12.072 ( 19.362 -7.934 1.273) 20.963 12.486 ( -7.886 16.436 -3.909) 18.644 12.739 ( 4.360 -11.752 -5.325) 13.619 12.856 ( -0.602 2.807 3.404) 4.453 12.935 ( 2.878 -6.571 4.138) 8.281 13.318 ( -9.376 6.340 -6.742) 13.174 13.541 ( -15.888 -14.977 -8.618) 23.473 13.817 ( 5.714 16.303 -3.647) 17.656 13.936 ( -1.366 12.484 -2.817) 12.871 14.146 ( 3.951 -15.005 -0.048) 15.516 14.191 ( 0.080 -17.112 -0.066) 17.112 15.111 ( 17.112 21.596 6.454) 28.299 15.393 ( 12.113 3.541 3.828) 13.188 15.667 ( 3.260 -5.919 4.808) 8.293 15.821 ( 0.452 23.413 -1.982) 23.502 15.869 ( -5.692 -10.174 2.933) 12.021 16.106 ( -6.599 3.925 -3.213) 8.323 16.247 ( -4.342 -15.520 2.010) 16.241 16.320 ( -3.881 -11.673 -7.238) 14.272 16.933 ( 3.768 13.656 -1.410) 14.237 17.009 ( 0.092 13.216 -8.326) 15.620 17.135 ( 2.084 -7.199 -4.894) 8.951 17.229 ( -2.956 -5.279 -6.870) 9.155 17.621 ( 4.816 -0.147 -6.102) 7.775 17.692 ( -0.197 -0.986 -7.286) 7.355 17.844 ( -6.867 5.101 -3.017) 9.071 17.988 ( -7.258 -5.810 -8.729) 12.753 18.256 ( 3.008 1.601 -19.353) 19.651 18.370 ( 8.499 -7.021 -15.501) 19.022 18.544 ( -5.106 4.969 -16.025) 17.537 18.748 ( -5.959 -13.483 -9.833) 17.720 19.167 ( 8.545 11.306 0.332) 14.176 19.373 ( 8.215 -10.220 -1.022) 13.153 19.552 ( -6.634 3.856 -7.478) 10.715 19.644 ( -3.092 -4.819 -6.500) 8.662 19.996 ( 7.490 11.153 -13.650) 19.152 20.198 ( 5.580 -7.331 -12.094) 15.203 20.421 ( -7.456 5.930 -17.523) 19.945 20.541 ( -6.362 -3.752 -14.474) 16.250 21.008 ( 10.423 6.222 -8.928) 15.069 21.093 ( 14.862 -1.548 -8.214) 17.051 21.294 ( -4.863 8.381 -18.975) 21.306 21.423 ( -3.990 -4.041 -12.650) 13.866 21.663 ( 3.872 2.495 2.287) 5.143 21.716 ( 2.201 -2.603 -0.825) 3.507 21.860 ( -4.492 0.455 -3.366) 5.632 21.917 ( -5.539 -4.041 -1.077) 6.941 22.679 ( 5.867 2.548 -11.431) 13.099 22.719 ( 5.339 -1.147 -8.792) 10.350 22.984 ( -7.160 -0.450 -6.163) 9.458 23.009 ( -6.040 -3.076 -3.849) 7.795 23.552 ( 15.353 8.767 4.493) 18.242 23.747 ( 11.961 -11.780 5.937) 17.807 24.158 ( -10.465 2.932 3.376) 11.380 24.246 ( -13.195 -5.311 2.362) 14.418 24.891 ( 9.167 10.377 -8.992) 16.510 25.119 ( 11.577 -7.884 -9.943) 17.177 25.156 ( -0.645 13.374 -2.450) 13.612 25.499 ( -2.683 -15.668 2.969) 16.171 26.049 ( -2.180 15.864 -8.254) 18.015 26.192 ( -5.524 -1.655 -6.473) 8.669 26.210 ( -8.420 8.213 1.293) 11.833 26.376 ( -10.093 -7.332 -0.227) 12.477 27.271 ( 5.757 -2.492 -7.545) 9.812 27.375 ( 8.866 -13.127 -9.240) 18.338 27.609 ( -12.877 7.361 -4.473) 15.492 27.850 ( -15.128 -15.555 -3.456) 21.972 29.010 ( 0.717 10.514 10.461) 14.848 29.081 ( 9.048 -3.196 20.946) 23.040 29.101 ( -3.105 7.830 18.006) 19.879 29.407 ( -6.226 -18.579 15.106) 24.742 29.781 ( -0.350 3.531 13.641) 14.095 29.811 ( -1.421 5.112 12.418) 13.504 29.849 ( -0.065 -1.548 11.644) 11.747 29.946 ( -4.482 -6.244 7.778) 10.935 30.340 ( 4.129 8.134 11.831) 14.939 30.470 ( 5.243 -5.489 10.113) 12.645 30.496 ( -2.108 6.954 9.598) 12.038 30.653 ( -2.549 -10.311 8.384) 13.532 31.389 ( 12.856 8.239 -0.110) 15.270 31.458 ( 15.920 2.316 -5.137) 16.887 31.689 ( 0.015 4.473 -6.296) 7.723 31.788 ( 1.556 -3.862 -6.485) 7.707 32.412 ( 3.505 12.693 20.385) 24.268 32.629 ( 5.318 -10.676 15.913) 19.887 32.788 ( -11.620 10.095 6.592) 16.745 32.977 ( -10.535 -10.084 11.829) 18.777 33.324 ( 10.249 4.371 9.740) 14.799 33.414 ( 10.573 -5.239 9.960) 15.441 33.762 ( -6.820 4.247 7.016) 10.667 33.848 ( -6.854 -4.974 7.398) 11.245 35.047 ( 17.508 6.657 4.255) 19.209 35.168 ( 20.874 -6.285 1.547) 21.855 35.719 ( -14.794 9.570 1.256) 17.664 35.883 ( -12.987 -8.275 -0.067) 15.399 36.421 ( 8.984 11.108 -2.297) 14.470 36.563 ( 12.152 -0.588 -6.421) 13.757 36.985 ( -15.363 10.687 -20.629) 27.853 37.272 ( -18.781 -16.674 -27.158) 36.991 ======================= Grid point 122 (48/84) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -3.613 5.791 2.933) 7.429 2.709 ( 3.613 5.791 2.933) 7.429 2.798 ( -0.958 -3.901 3.625) 5.411 2.798 ( 0.958 -3.901 3.625) 5.411 3.040 ( -4.373 -1.042 6.593) 7.979 3.040 ( 4.373 -1.042 6.593) 7.979 3.057 ( -3.270 -2.292 5.637) 6.908 3.057 ( 3.270 -2.292 5.637) 6.908 3.495 ( -2.432 4.798 0.502) 5.403 3.495 ( 2.432 4.798 0.502) 5.403 3.569 ( -1.868 -3.494 1.184) 4.135 3.569 ( 1.868 -3.494 1.184) 4.135 5.621 ( -5.950 14.560 14.056) 21.094 5.621 ( 5.950 14.560 14.056) 21.094 5.832 ( -10.183 -3.566 11.333) 15.648 5.832 ( 10.183 -3.566 11.333) 15.648 6.213 ( -11.269 2.206 11.787) 16.455 6.213 ( 11.269 2.206 11.787) 16.455 6.374 ( -4.143 -13.860 10.511) 17.882 6.374 ( 4.143 -13.860 10.511) 17.882 6.773 ( -14.623 13.481 -1.547) 19.949 6.773 ( 14.623 13.481 -1.547) 19.949 7.064 ( -15.099 -14.647 3.284) 21.291 7.064 ( 15.099 -14.647 3.284) 21.291 7.595 ( -7.928 10.211 32.788) 35.244 7.595 ( 7.928 10.211 32.788) 35.244 7.811 ( -8.318 -13.229 27.043) 31.233 7.811 ( 8.318 -13.229 27.043) 31.233 8.951 ( -33.186 7.893 20.543) 39.820 8.951 ( 33.186 7.893 20.543) 39.820 9.053 ( -29.421 -3.404 18.645) 34.997 9.053 ( 29.421 -3.404 18.645) 34.997 9.346 ( -12.437 14.539 7.035) 20.385 9.346 ( 12.437 14.539 7.035) 20.385 9.564 ( -15.481 -7.703 7.449) 18.828 9.564 ( 15.481 -7.703 7.449) 18.828 10.217 ( -19.753 8.518 3.023) 21.722 10.217 ( 19.753 8.518 3.023) 21.722 10.351 ( -17.255 -6.690 10.045) 21.057 10.351 ( 17.255 -6.690 10.045) 21.057 11.005 ( -1.839 9.415 -4.661) 10.665 11.005 ( 1.839 9.415 -4.661) 10.665 11.333 ( -2.091 -24.594 -0.429) 24.687 11.333 ( 2.091 -24.594 -0.429) 24.687 12.195 ( -19.447 19.092 -2.360) 27.355 12.195 ( 19.447 19.092 -2.360) 27.355 12.460 ( -19.766 -7.414 1.134) 21.141 12.460 ( 19.766 -7.414 1.134) 21.141 13.086 ( -13.395 1.384 -2.315) 13.664 13.086 ( 13.395 1.384 -2.315) 13.664 13.199 ( -19.574 -11.079 -6.166) 23.322 13.199 ( 19.574 -11.079 -6.166) 23.322 13.900 ( -3.105 14.105 -2.973) 14.746 13.900 ( 3.105 14.105 -2.973) 14.746 14.190 ( -0.873 -16.410 0.182) 16.434 14.190 ( 0.873 -16.410 0.182) 16.434 15.402 ( -11.340 21.328 5.816) 24.845 15.402 ( 11.340 21.328 5.816) 24.845 15.762 ( -4.148 -9.307 5.492) 11.575 15.762 ( 4.148 -9.307 5.492) 11.575 15.936 ( -11.885 6.681 -2.025) 13.783 15.936 ( 11.885 6.681 -2.025) 13.783 16.219 ( -3.572 -15.816 -1.834) 16.318 16.219 ( 3.572 -15.816 -1.834) 16.318 17.003 ( -2.190 13.394 -7.021) 15.280 17.003 ( 2.190 13.394 -7.021) 15.280 17.175 ( -2.359 -2.336 -7.725) 8.409 17.175 ( 2.359 -2.336 -7.725) 8.409 17.691 ( -4.462 4.729 -6.151) 8.950 17.691 ( 4.462 4.729 -6.151) 8.950 17.829 ( -8.387 -8.076 -5.687) 12.958 17.829 ( 8.387 -8.076 -5.687) 12.958 18.371 ( -7.652 7.597 -17.522) 20.574 18.371 ( 7.652 7.597 -17.522) 20.574 18.593 ( -9.667 -15.211 -15.134) 23.535 18.593 ( 9.667 -15.211 -15.134) 23.535 19.359 ( -11.418 9.268 -0.184) 14.707 19.359 ( 11.418 9.268 -0.184) 14.707 19.533 ( -8.129 -9.140 -1.697) 12.349 19.533 ( 8.129 -9.140 -1.697) 12.349 20.190 ( -10.327 12.272 -17.819) 23.975 20.190 ( 10.327 12.272 -17.819) 23.975 20.400 ( -7.838 -8.686 -15.130) 19.126 20.400 ( 7.838 -8.686 -15.130) 19.126 21.176 ( -7.731 9.413 -15.896) 20.027 21.176 ( 7.731 9.413 -15.896) 20.027 21.314 ( -8.503 -3.797 -10.296) 13.883 21.314 ( 8.503 -3.797 -10.296) 13.883 21.748 ( -3.822 1.559 -1.923) 4.554 21.748 ( 3.822 1.559 -1.923) 4.554 21.808 ( -4.356 -3.499 0.952) 5.668 21.808 ( 4.356 -3.499 0.952) 5.668 22.827 ( -8.749 0.643 -7.355) 11.448 22.827 ( 8.749 0.643 -7.355) 11.448 22.858 ( -8.623 -2.130 -3.905) 9.703 22.858 ( 8.623 -2.130 -3.905) 9.703 23.868 ( -16.469 4.554 2.377) 17.252 23.868 ( 16.469 4.554 2.377) 17.252 24.000 ( -12.296 -8.692 4.711) 15.778 24.000 ( 12.296 -8.692 4.711) 15.778 25.060 ( -7.844 15.201 -5.803) 18.063 25.060 ( 7.844 15.201 -5.803) 18.063 25.360 ( -11.617 -14.689 -5.491) 19.516 25.360 ( 11.617 -14.689 -5.491) 19.516 26.048 ( -3.139 13.757 -3.119) 14.451 26.048 ( 3.139 13.757 -3.119) 14.451 26.237 ( -5.057 -4.238 -1.681) 6.808 26.237 ( 5.057 -4.238 -1.681) 6.808 27.403 ( -8.720 2.238 -6.051) 10.847 27.403 ( 8.720 2.238 -6.051) 10.847 27.582 ( -13.016 -14.396 -9.096) 21.433 27.582 ( 13.016 -14.396 -9.096) 21.433 29.043 ( -2.625 11.054 13.742) 17.830 29.043 ( 2.625 11.054 13.742) 17.830 29.258 ( -9.368 -12.002 19.259) 24.550 29.258 ( 9.368 -12.002 19.259) 24.550 29.791 ( -0.750 3.829 13.373) 13.930 29.791 ( 0.750 3.829 13.373) 13.930 29.876 ( -2.762 -5.317 10.539) 12.124 29.876 ( 2.762 -5.317 10.539) 12.124 30.428 ( -4.796 8.336 10.582) 14.299 30.428 ( 4.796 8.336 10.582) 14.299 30.576 ( -5.447 -7.660 9.171) 13.132 30.576 ( 5.447 -7.660 9.171) 13.132 31.568 ( -5.417 11.099 -4.388) 13.107 31.568 ( 5.417 11.099 -4.388) 13.107 31.735 ( -6.413 -6.193 -3.555) 9.598 31.735 ( 6.413 -6.193 -3.555) 9.598 32.559 ( -11.427 12.235 13.048) 21.226 32.559 ( 11.427 12.235 13.048) 21.226 32.780 ( -10.034 -11.435 13.914) 20.616 32.780 ( 10.034 -11.435 13.914) 20.616 33.559 ( -13.119 4.379 7.719) 15.839 33.559 ( 13.119 4.379 7.719) 15.839 33.647 ( -12.865 -5.040 8.277) 16.107 33.647 ( 12.865 -5.040 8.277) 16.107 35.400 ( -19.133 9.460 2.231) 21.460 35.400 ( 19.133 9.460 2.231) 21.460 35.570 ( -20.519 -9.032 -0.310) 22.421 35.570 ( 20.519 -9.032 -0.310) 22.421 36.617 ( -10.612 18.389 -10.542) 23.705 36.617 ( 10.612 18.389 -10.542) 23.705 36.936 ( -14.909 -15.834 -15.987) 26.992 36.936 ( 14.909 -15.834 -15.987) 26.992 ======================= Grid point 140 (49/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 0.000 0.000 5.791) 5.791 2.771 ( 0.000 0.000 1.997) 1.997 2.854 ( 0.000 0.000 6.179) 6.179 2.867 ( 0.000 0.000 3.408) 3.408 2.950 ( 0.000 0.000 7.636) 7.636 3.106 ( 0.000 0.000 -3.367) 3.367 3.190 ( 0.000 0.000 -2.454) 2.454 3.208 ( 0.000 0.000 -7.155) 7.155 3.383 ( 0.000 0.000 9.163) 9.163 3.396 ( 0.000 0.000 5.223) 5.223 3.519 ( 0.000 0.000 -0.790) 0.790 3.831 ( 0.000 0.000 6.739) 6.739 5.193 ( 0.000 0.000 30.471) 30.471 5.323 ( 0.000 0.000 0.126) 0.126 5.505 ( 0.000 0.000 -12.122) 12.122 5.663 ( 0.000 0.000 31.111) 31.111 5.871 ( 0.000 0.000 10.457) 10.457 6.464 ( 0.000 0.000 1.931) 1.931 6.695 ( 0.000 0.000 -1.281) 1.281 6.775 ( 0.000 0.000 11.349) 11.349 6.910 ( 0.000 0.000 -4.155) 4.155 7.352 ( 0.000 0.000 12.482) 12.482 7.389 ( 0.000 0.000 13.751) 13.751 7.574 ( 0.000 0.000 -9.261) 9.261 7.865 ( 0.000 0.000 16.515) 16.515 7.899 ( 0.000 0.000 11.105) 11.105 8.083 ( 0.000 0.000 -3.464) 3.464 8.230 ( 0.000 0.000 6.186) 6.186 8.302 ( 0.000 0.000 29.407) 29.407 8.809 ( 0.000 0.000 10.539) 10.539 9.137 ( 0.000 0.000 30.802) 30.802 9.234 ( 0.000 0.000 2.626) 2.626 9.257 ( 0.000 0.000 30.451) 30.451 9.677 ( 0.000 0.000 -5.826) 5.826 10.103 ( 0.000 0.000 3.019) 3.019 10.136 ( 0.000 0.000 22.297) 22.297 10.173 ( 0.000 0.000 35.413) 35.413 10.450 ( 0.000 0.000 16.447) 16.447 10.989 ( 0.000 0.000 11.171) 11.171 11.048 ( 0.000 0.000 -8.757) 8.757 11.384 ( 0.000 0.000 6.242) 6.242 11.539 ( 0.000 0.000 7.042) 7.042 11.788 ( 0.000 0.000 3.930) 3.930 11.905 ( 0.000 0.000 -0.744) 0.744 12.186 ( 0.000 0.000 -0.457) 0.457 12.235 ( 0.000 0.000 0.181) 0.181 12.324 ( 0.000 0.000 -2.037) 2.037 12.725 ( 0.000 0.000 17.952) 17.952 12.728 ( 0.000 0.000 -10.835) 10.835 13.097 ( 0.000 0.000 8.118) 8.118 13.456 ( 0.000 0.000 1.295) 1.295 13.610 ( 0.000 0.000 -3.697) 3.697 13.752 ( 0.000 0.000 -5.001) 5.001 14.130 ( 0.000 0.000 -17.691) 17.691 14.225 ( 0.000 0.000 1.845) 1.845 14.244 ( 0.000 0.000 12.259) 12.259 14.312 ( 0.000 0.000 1.131) 1.131 14.924 ( 0.000 0.000 -3.755) 3.755 15.005 ( 0.000 0.000 -7.491) 7.491 15.620 ( 0.000 0.000 -17.117) 17.117 15.918 ( 0.000 0.000 -6.367) 6.367 15.997 ( 0.000 0.000 5.810) 5.810 16.140 ( 0.000 0.000 -3.895) 3.895 16.318 ( 0.000 0.000 -20.892) 20.892 16.847 ( 0.000 0.000 20.075) 20.075 17.122 ( 0.000 0.000 -22.394) 22.394 17.226 ( 0.000 0.000 -13.142) 13.142 17.406 ( 0.000 0.000 2.538) 2.538 17.605 ( 0.000 0.000 -14.154) 14.154 17.615 ( 0.000 0.000 -14.292) 14.292 17.721 ( 0.000 0.000 -6.760) 6.760 17.741 ( 0.000 0.000 -4.477) 4.477 17.944 ( 0.000 0.000 -16.064) 16.064 18.272 ( 0.000 0.000 6.744) 6.744 18.443 ( 0.000 0.000 6.097) 6.097 18.534 ( 0.000 0.000 -12.473) 12.473 18.889 ( 0.000 0.000 1.339) 1.339 19.156 ( 0.000 0.000 -3.930) 3.930 19.515 ( 0.000 0.000 -22.903) 22.903 19.527 ( 0.000 0.000 -14.296) 14.296 19.686 ( 0.000 0.000 -28.992) 28.992 19.955 ( 0.000 0.000 -8.532) 8.532 20.164 ( 0.000 0.000 -3.227) 3.227 20.565 ( 0.000 0.000 -35.461) 35.461 20.569 ( 0.000 0.000 7.198) 7.198 20.642 ( 0.000 0.000 2.963) 2.963 20.966 ( 0.000 0.000 4.450) 4.450 21.371 ( 0.000 0.000 -8.358) 8.358 21.498 ( 0.000 0.000 -10.557) 10.557 21.770 ( 0.000 0.000 14.856) 14.856 21.771 ( 0.000 0.000 -3.255) 3.255 21.908 ( 0.000 0.000 -5.676) 5.676 22.213 ( 0.000 0.000 -18.301) 18.301 22.251 ( 0.000 0.000 -17.567) 17.567 22.818 ( 0.000 0.000 -21.172) 21.172 23.045 ( 0.000 0.000 -13.367) 13.367 23.161 ( 0.000 0.000 14.118) 14.118 24.077 ( 0.000 0.000 12.611) 12.611 24.308 ( 0.000 0.000 -20.197) 20.197 24.363 ( 0.000 0.000 22.305) 22.305 24.618 ( 0.000 0.000 -7.827) 7.827 24.828 ( 0.000 0.000 0.813) 0.813 25.024 ( 0.000 0.000 -5.491) 5.491 25.659 ( 0.000 0.000 -3.535) 3.535 25.739 ( 0.000 0.000 -6.733) 6.733 25.818 ( 0.000 0.000 19.256) 19.256 26.086 ( 0.000 0.000 -15.035) 15.035 27.338 ( 0.000 0.000 5.124) 5.124 27.782 ( 0.000 0.000 -20.245) 20.245 27.819 ( 0.000 0.000 2.229) 2.229 27.957 ( 0.000 0.000 3.194) 3.194 28.145 ( 0.000 0.000 -2.379) 2.379 28.892 ( 0.000 0.000 14.106) 14.106 29.134 ( 0.000 0.000 5.304) 5.304 29.493 ( 0.000 0.000 9.331) 9.331 29.539 ( 0.000 0.000 1.275) 1.275 29.701 ( 0.000 0.000 1.175) 1.175 30.004 ( 0.000 0.000 9.371) 9.371 30.126 ( 0.000 0.000 12.476) 12.476 30.379 ( 0.000 0.000 4.798) 4.798 30.411 ( 0.000 0.000 -7.688) 7.688 30.466 ( 0.000 0.000 7.316) 7.316 30.676 ( 0.000 0.000 9.471) 9.471 30.734 ( 0.000 0.000 10.414) 10.414 31.030 ( 0.000 0.000 10.434) 10.434 31.181 ( 0.000 0.000 0.283) 0.283 31.396 ( 0.000 0.000 -0.403) 0.403 31.620 ( 0.000 0.000 8.645) 8.645 32.715 ( 0.000 0.000 9.884) 9.884 32.747 ( 0.000 0.000 26.918) 26.918 33.060 ( 0.000 0.000 18.556) 18.556 33.311 ( 0.000 0.000 3.935) 3.935 33.417 ( 0.000 0.000 -0.307) 0.307 33.735 ( 0.000 0.000 -0.038) 0.038 33.765 ( 0.000 0.000 20.194) 20.194 34.187 ( 0.000 0.000 19.882) 19.882 34.919 ( 0.000 0.000 11.787) 11.787 35.036 ( 0.000 0.000 9.008) 9.008 35.777 ( 0.000 0.000 -4.644) 4.644 36.089 ( 0.000 0.000 -7.399) 7.399 36.157 ( 0.000 0.000 -0.662) 0.662 36.206 ( 0.000 0.000 4.763) 4.763 36.772 ( 0.000 0.000 -18.152) 18.152 37.260 ( 0.000 0.000 -36.582) 36.582 ======================= Grid point 141 (50/84) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -4.700 0.000 7.981) 9.262 2.791 ( -1.985 0.000 0.116) 1.988 2.879 ( 1.146 0.000 2.813) 3.037 2.934 ( 6.774 0.000 6.181) 9.170 2.952 ( 0.136 0.000 6.506) 6.508 3.115 ( 0.944 0.000 -3.424) 3.552 3.204 ( -0.510 0.000 -6.903) 6.922 3.214 ( 1.943 0.000 -2.770) 3.384 3.351 ( -1.877 0.000 6.900) 7.151 3.405 ( 0.291 0.000 8.617) 8.622 3.546 ( 2.478 0.000 -1.184) 2.746 3.805 ( -2.696 0.000 5.556) 6.176 5.279 ( 9.171 0.000 30.272) 31.631 5.373 ( 5.162 0.000 -0.609) 5.198 5.540 ( 5.608 0.000 -5.950) 8.177 5.747 ( 5.640 0.000 18.740) 19.570 5.951 ( 7.554 0.000 10.518) 12.949 6.486 ( 1.315 0.000 5.664) 5.815 6.694 ( -0.141 0.000 -2.475) 2.479 6.728 ( -3.022 0.000 7.647) 8.222 7.091 ( -16.277 0.000 1.501) 16.346 7.092 ( 15.989 0.000 0.388) 15.994 7.459 ( 6.938 0.000 9.612) 11.854 7.692 ( 1.663 0.000 0.098) 1.666 7.820 ( -5.964 0.000 22.607) 23.381 7.975 ( 5.392 0.000 15.963) 16.849 8.062 ( -0.943 0.000 1.556) 1.819 8.247 ( 4.696 0.000 31.637) 31.983 8.455 ( 18.240 0.000 4.257) 18.730 8.772 ( -5.095 0.000 18.129) 18.831 8.970 ( -4.627 0.000 0.851) 4.704 9.293 ( 5.723 0.000 3.697) 6.813 9.324 ( -1.547 0.000 44.637) 44.664 9.716 ( 3.445 0.000 -5.553) 6.535 9.936 ( -9.807 0.000 11.824) 15.362 10.117 ( -7.274 0.000 30.702) 31.552 10.369 ( -7.714 0.000 13.936) 15.929 10.377 ( 16.373 0.000 12.192) 20.413 10.923 ( -12.882 0.000 -7.929) 15.126 10.988 ( -1.536 0.000 16.646) 16.716 11.260 ( -12.605 0.000 8.947) 15.458 11.500 ( -15.009 0.000 8.439) 17.218 11.670 ( -7.615 0.000 3.142) 8.238 11.798 ( 2.667 0.000 -2.782) 3.854 12.020 ( -8.295 0.000 -0.506) 8.310 12.268 ( -5.449 0.000 -0.321) 5.458 12.522 ( 7.718 0.000 7.799) 10.973 12.625 ( 1.399 0.000 7.173) 7.309 12.754 ( 0.424 0.000 -9.958) 9.967 13.055 ( -3.932 0.000 9.703) 10.469 13.460 ( 0.432 0.000 0.809) 0.917 13.491 ( -11.211 0.000 0.497) 11.222 13.741 ( -1.257 0.000 -5.640) 5.779 14.020 ( -10.673 0.000 -18.324) 21.206 14.318 ( 10.235 0.000 6.397) 12.070 14.417 ( 15.687 0.000 -0.041) 15.687 14.432 ( 11.160 0.000 1.872) 11.316 14.945 ( 1.164 0.000 -1.714) 2.072 14.989 ( -0.783 0.000 -3.946) 4.023 15.743 ( 10.565 0.000 -20.278) 22.865 15.873 ( -3.976 0.000 -2.916) 4.931 16.061 ( 7.039 0.000 4.284) 8.240 16.230 ( 9.046 0.000 -3.581) 9.729 16.387 ( 6.808 0.000 -18.966) 20.151 16.789 ( -5.682 0.000 18.080) 18.952 17.015 ( -16.980 0.000 -16.938) 23.984 17.091 ( -3.941 0.000 -18.733) 19.143 17.205 ( -16.291 0.000 2.158) 16.433 17.519 ( -5.795 0.000 -1.603) 6.012 17.621 ( 1.370 0.000 -12.811) 12.884 17.788 ( -13.255 0.000 -18.677) 22.902 17.890 ( 10.752 0.000 -6.657) 12.646 18.003 ( 21.380 0.000 -14.696) 25.944 18.200 ( -6.974 0.000 5.086) 8.632 18.413 ( -3.120 0.000 4.002) 5.075 18.658 ( 9.750 0.000 -12.042) 15.495 18.919 ( 3.210 0.000 2.581) 4.119 19.222 ( 6.045 0.000 -6.411) 8.812 19.499 ( 0.760 0.000 -18.180) 18.196 19.621 ( 7.354 0.000 -15.250) 16.930 19.671 ( -2.323 0.000 -27.856) 27.952 19.856 ( -11.082 0.000 -4.603) 12.000 20.034 ( -7.169 0.000 -6.343) 9.573 20.543 ( -8.808 0.000 -8.873) 12.502 20.547 ( -1.995 0.000 -22.357) 22.445 20.762 ( 15.185 0.000 3.793) 15.651 20.941 ( -3.558 0.000 -0.451) 3.586 21.339 ( -2.612 0.000 -5.225) 5.842 21.559 ( 5.915 0.000 -7.014) 9.174 21.789 ( 1.678 0.000 -3.695) 4.058 21.792 ( 1.136 0.000 7.290) 7.378 21.881 ( -2.372 0.000 -3.244) 4.018 22.242 ( 3.756 0.000 -16.174) 16.605 22.332 ( 8.121 0.000 -14.237) 16.390 22.833 ( 0.575 0.000 -21.149) 21.157 23.003 ( -4.309 0.000 -12.281) 13.015 23.288 ( 13.104 0.000 12.223) 17.920 24.128 ( 4.864 0.000 10.721) 11.773 24.280 ( -3.285 0.000 -16.194) 16.524 24.316 ( -3.369 0.000 14.835) 15.213 24.702 ( 7.257 0.000 -2.663) 7.730 24.851 ( 2.418 0.000 -1.293) 2.742 24.998 ( -2.563 0.000 -4.916) 5.544 25.454 ( -15.473 0.000 -7.082) 17.017 25.791 ( 5.224 0.000 -3.241) 6.148 25.800 ( -1.085 0.000 17.552) 17.586 26.282 ( 14.535 0.000 -9.853) 17.560 27.123 ( -23.346 0.000 3.916) 23.672 27.545 ( -20.306 0.000 4.710) 20.845 27.731 ( -2.877 0.000 -14.668) 14.948 27.976 ( -4.341 0.000 -1.644) 4.642 28.073 ( -6.986 0.000 -3.391) 7.765 28.811 ( -3.896 0.000 7.691) 8.622 29.235 ( -6.185 0.000 -2.174) 6.556 29.473 ( 8.645 0.000 12.670) 15.338 29.542 ( 5.449 0.000 8.435) 10.042 29.729 ( 3.591 0.000 4.273) 5.582 30.041 ( 2.569 0.000 8.552) 8.929 30.181 ( 4.973 0.000 11.790) 12.796 30.240 ( -4.284 0.000 2.386) 4.903 30.477 ( -0.103 0.000 6.428) 6.429 30.625 ( -2.359 0.000 7.452) 7.817 30.654 ( 5.366 0.000 14.991) 15.923 30.918 ( 13.459 0.000 7.961) 15.637 31.002 ( 6.183 0.000 -6.525) 8.989 31.100 ( -5.566 0.000 -0.142) 5.568 31.444 ( 3.306 0.000 0.464) 3.338 31.728 ( 8.444 0.000 5.926) 10.315 32.662 ( -4.698 0.000 15.929) 16.607 32.747 ( -0.677 0.000 20.912) 20.923 33.048 ( 0.711 0.000 16.615) 16.630 33.321 ( 1.993 0.000 7.278) 7.546 33.518 ( 7.046 0.000 5.059) 8.674 33.722 ( -2.687 0.000 21.238) 21.408 33.770 ( 2.381 0.000 -0.358) 2.408 34.227 ( 2.558 0.000 15.829) 16.034 34.931 ( 1.959 0.000 10.325) 10.509 35.051 ( 3.379 0.000 6.377) 7.217 35.695 ( -8.394 0.000 -4.097) 9.341 36.082 ( -2.038 0.000 -9.948) 10.154 36.167 ( 0.937 0.000 0.201) 0.958 36.209 ( 0.215 0.000 3.884) 3.890 36.733 ( -2.967 0.000 -16.552) 16.816 37.202 ( -6.040 0.000 -33.695) 34.232 ======================= Grid point 142 (51/84) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -0.075 0.000 7.894) 7.894 2.729 ( -4.343 0.000 1.980) 4.773 2.906 ( 1.659 0.000 2.081) 2.662 2.951 ( -0.414 0.000 4.027) 4.048 3.053 ( 5.913 0.000 4.183) 7.243 3.138 ( 1.478 0.000 -3.987) 4.252 3.189 ( -1.060 0.000 -6.181) 6.272 3.217 ( -2.261 0.000 -0.537) 2.324 3.350 ( 1.888 0.000 6.882) 7.136 3.406 ( -0.245 0.000 8.504) 8.508 3.600 ( 3.238 0.000 -1.267) 3.477 3.740 ( -4.020 0.000 2.859) 4.933 5.501 ( 8.409 0.000 -0.915) 8.458 5.519 ( 16.156 0.000 28.218) 32.515 5.731 ( 12.971 0.000 -8.563) 15.543 5.785 ( -0.565 0.000 8.655) 8.673 6.037 ( -2.455 0.000 13.766) 13.983 6.395 ( -13.667 0.000 0.314) 13.671 6.706 ( 3.108 0.000 2.747) 4.148 6.753 ( 8.850 0.000 8.249) 12.099 6.908 ( -4.642 0.000 4.618) 6.548 7.377 ( 13.552 0.000 4.437) 14.260 7.419 ( -16.018 0.000 3.708) 16.442 7.666 ( 0.514 0.000 8.068) 8.085 7.780 ( -1.307 0.000 24.884) 24.919 7.955 ( -7.619 0.000 17.040) 18.666 8.115 ( 13.815 0.000 13.772) 19.507 8.551 ( 27.255 0.000 29.753) 40.350 8.731 ( -0.088 0.000 9.466) 9.466 8.914 ( 27.775 0.000 5.382) 28.291 8.991 ( 4.199 0.000 -10.617) 11.418 9.192 ( -9.679 0.000 36.786) 38.039 9.396 ( 2.405 0.000 7.024) 7.424 9.761 ( 1.224 0.000 -2.758) 3.018 9.799 ( -2.207 0.000 22.316) 22.425 9.878 ( -17.981 0.000 22.271) 28.623 10.163 ( -15.272 0.000 4.911) 16.042 10.541 ( -29.076 0.000 6.358) 29.763 10.666 ( 13.728 0.000 3.201) 14.097 10.919 ( -4.527 0.000 22.676) 23.124 11.002 ( -11.816 0.000 19.226) 22.567 11.129 ( -16.819 0.000 1.739) 16.909 11.614 ( 1.293 0.000 0.294) 1.326 11.855 ( -9.662 0.000 -0.728) 9.689 12.034 ( 17.921 0.000 -1.854) 18.017 12.173 ( -2.388 0.000 6.623) 7.040 12.368 ( -10.000 0.000 10.089) 14.206 12.672 ( -10.418 0.000 -7.910) 13.081 12.957 ( 20.145 0.000 -3.898) 20.519 13.001 ( -0.050 0.000 11.389) 11.389 13.261 ( -12.277 0.000 6.438) 13.863 13.457 ( -2.254 0.000 0.291) 2.273 13.705 ( -2.441 0.000 -7.855) 8.226 13.800 ( -10.997 0.000 -18.009) 21.101 14.542 ( 12.203 0.000 -0.011) 12.203 14.654 ( 11.566 0.000 2.726) 11.883 14.706 ( 10.209 0.000 -11.346) 15.263 14.933 ( -2.860 0.000 1.303) 3.143 15.042 ( 10.114 0.000 7.118) 12.367 15.683 ( -13.103 0.000 0.433) 13.110 16.024 ( 15.068 0.000 -19.835) 24.909 16.252 ( 13.196 0.000 1.994) 13.346 16.444 ( 13.128 0.000 -4.211) 13.787 16.528 ( 6.093 0.000 -13.690) 14.985 16.642 ( -12.129 0.000 -4.852) 13.063 16.734 ( -8.765 0.000 1.306) 8.862 16.881 ( -17.307 0.000 1.381) 17.362 16.964 ( -10.384 0.000 -8.282) 13.282 17.409 ( -4.936 0.000 -3.172) 5.867 17.545 ( -11.712 0.000 -22.293) 25.183 17.690 ( 6.288 0.000 -13.221) 14.640 18.016 ( -6.001 0.000 -11.572) 13.036 18.097 ( 4.952 0.000 3.732) 6.201 18.335 ( -5.106 0.000 0.887) 5.182 18.409 ( 21.140 0.000 -13.745) 25.216 18.790 ( 2.871 0.000 -11.184) 11.547 19.012 ( 6.932 0.000 3.715) 7.865 19.341 ( 6.326 0.000 -13.371) 14.792 19.484 ( -16.934 0.000 -7.534) 18.534 19.509 ( -0.976 0.000 -15.618) 15.649 19.746 ( 0.982 0.000 -18.665) 18.691 19.800 ( 12.083 0.000 -10.180) 15.800 19.924 ( -5.840 0.000 -12.803) 14.072 20.319 ( -13.847 0.000 -2.695) 14.107 20.563 ( 3.639 0.000 -24.174) 24.447 20.832 ( -7.718 0.000 -9.850) 12.514 21.033 ( 13.012 0.000 0.953) 13.047 21.294 ( -2.435 0.000 -2.553) 3.528 21.677 ( 6.056 0.000 -1.704) 6.291 21.788 ( -0.972 0.000 -0.600) 1.142 21.809 ( -0.242 0.000 -3.116) 3.126 21.835 ( -2.663 0.000 0.730) 2.761 22.380 ( 11.203 0.000 -14.799) 18.561 22.521 ( 11.488 0.000 -9.980) 15.217 22.791 ( -5.960 0.000 -19.353) 20.250 22.893 ( -7.488 0.000 -10.380) 12.799 23.601 ( 19.242 0.000 7.785) 20.758 24.172 ( -8.850 0.000 -7.439) 11.561 24.221 ( 4.162 0.000 7.305) 8.407 24.275 ( -0.862 0.000 7.775) 7.822 24.843 ( 7.550 0.000 -1.643) 7.727 24.902 ( 2.404 0.000 -4.575) 5.169 24.950 ( -2.083 0.000 -4.358) 4.831 25.184 ( -12.902 0.000 -6.313) 14.363 25.830 ( 6.041 0.000 13.627) 14.906 25.947 ( 11.875 0.000 2.340) 12.104 26.440 ( -2.107 0.000 1.965) 2.881 26.579 ( -31.452 0.000 5.845) 31.991 27.278 ( -2.852 0.000 -3.431) 4.462 27.720 ( 1.649 0.000 -9.624) 9.764 27.778 ( -15.906 0.000 -5.876) 16.957 27.923 ( -8.338 0.000 -5.504) 9.990 28.787 ( 1.150 0.000 3.348) 3.540 29.009 ( -11.572 0.000 -2.893) 11.928 29.679 ( 8.295 0.000 7.438) 11.141 29.777 ( 17.521 0.000 14.370) 22.660 29.803 ( 2.978 0.000 5.943) 6.648 30.075 ( 0.654 0.000 5.844) 5.880 30.200 ( -0.011 0.000 8.445) 8.445 30.288 ( 5.989 0.000 11.388) 12.867 30.449 ( -2.751 0.000 7.517) 8.004 30.516 ( -13.301 0.000 25.016) 28.332 30.609 ( 1.649 0.000 4.407) 4.705 30.891 ( -9.770 0.000 0.900) 9.811 31.244 ( 12.994 0.000 2.640) 13.259 31.327 ( 21.351 0.000 -14.782) 25.969 31.477 ( -0.201 0.000 1.583) 1.595 31.818 ( -0.851 0.000 -3.251) 3.361 32.591 ( -1.593 0.000 21.375) 21.435 32.704 ( -3.966 0.000 21.652) 22.012 33.126 ( 7.608 0.000 16.889) 18.524 33.419 ( 8.774 0.000 8.875) 12.480 33.492 ( -8.419 0.000 16.852) 18.838 33.762 ( -4.358 0.000 2.001) 4.795 33.808 ( 10.466 0.000 15.477) 18.684 34.200 ( -6.466 0.000 13.550) 15.014 35.022 ( 8.383 0.000 5.825) 10.208 35.234 ( 16.726 0.000 -3.001) 16.993 35.489 ( -13.259 0.000 -2.404) 13.475 35.947 ( -13.582 0.000 -14.083) 19.566 36.186 ( 0.954 0.000 1.436) 1.724 36.209 ( -0.189 0.000 2.663) 2.669 36.730 ( 3.851 0.000 -14.665) 15.162 37.050 ( -9.799 0.000 -26.627) 28.373 ======================= Grid point 143 (52/84) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -3.877 0.000 5.134) 6.433 2.648 ( 3.877 0.000 5.134) 6.433 2.935 ( -1.318 0.000 2.327) 2.674 2.935 ( 1.318 0.000 2.327) 2.674 3.150 ( -4.545 0.000 2.339) 5.111 3.150 ( 4.545 0.000 2.339) 5.111 3.166 ( -1.406 0.000 -5.109) 5.299 3.166 ( 1.406 0.000 -5.109) 5.299 3.389 ( -1.726 0.000 7.472) 7.669 3.389 ( 1.726 0.000 7.472) 7.669 3.666 ( -3.859 0.000 0.078) 3.860 3.666 ( 3.859 0.000 0.078) 3.860 5.664 ( -8.400 0.000 -0.495) 8.415 5.664 ( 8.400 0.000 -0.495) 8.415 5.837 ( -16.511 0.000 22.136) 27.615 5.837 ( 16.511 0.000 22.136) 27.615 6.068 ( -19.231 0.000 -4.811) 19.824 6.068 ( 19.231 0.000 -4.811) 19.824 6.806 ( -6.564 0.000 6.587) 9.299 6.806 ( 6.564 0.000 6.587) 9.299 7.051 ( -20.590 0.000 7.715) 21.988 7.051 ( 20.590 0.000 7.715) 21.988 7.615 ( -12.422 0.000 10.696) 16.392 7.615 ( 12.422 0.000 10.696) 16.392 7.776 ( -9.871 0.000 14.772) 17.766 7.776 ( 9.871 0.000 14.772) 17.766 8.522 ( -22.177 0.000 21.173) 30.661 8.522 ( 22.177 0.000 21.173) 30.661 9.084 ( -4.333 0.000 -2.543) 5.024 9.084 ( 4.333 0.000 -2.543) 5.024 9.088 ( -23.914 0.000 17.652) 29.723 9.088 ( 23.914 0.000 17.652) 29.723 9.492 ( -21.948 0.000 17.387) 28.000 9.492 ( 21.948 0.000 17.387) 28.000 9.874 ( -12.539 0.000 -4.289) 13.253 9.874 ( 12.539 0.000 -4.289) 13.253 9.989 ( -24.154 0.000 23.805) 33.913 9.989 ( 24.154 0.000 23.805) 33.913 10.883 ( -1.803 0.000 23.602) 23.670 10.883 ( 1.803 0.000 23.602) 23.670 10.890 ( -11.217 0.000 -0.777) 11.244 10.890 ( 11.217 0.000 -0.777) 11.244 11.692 ( -6.959 0.000 0.049) 6.960 11.692 ( 6.959 0.000 0.049) 6.960 12.214 ( -6.122 0.000 7.986) 10.063 12.214 ( 6.122 0.000 7.986) 10.063 12.387 ( -18.852 0.000 -3.808) 19.233 12.387 ( 18.852 0.000 -3.808) 19.233 13.073 ( -7.445 0.000 9.912) 12.396 13.073 ( 7.445 0.000 9.912) 12.396 13.294 ( -15.261 0.000 -3.797) 15.727 13.294 ( 15.261 0.000 -3.797) 15.727 13.686 ( -1.782 0.000 -11.905) 12.038 13.686 ( 1.782 0.000 -11.905) 12.038 14.719 ( -5.977 0.000 -8.401) 10.311 14.719 ( 5.977 0.000 -8.401) 10.311 14.835 ( -7.713 0.000 2.723) 8.180 14.835 ( 7.713 0.000 2.723) 8.180 15.365 ( -20.100 0.000 7.071) 21.308 15.365 ( 20.100 0.000 7.071) 21.308 16.320 ( -16.812 0.000 -20.379) 26.418 16.320 ( 16.812 0.000 -20.379) 26.418 16.522 ( -13.951 0.000 -1.604) 14.043 16.522 ( 13.951 0.000 -1.604) 14.043 16.650 ( -3.729 0.000 2.649) 4.574 16.650 ( 3.729 0.000 2.649) 4.574 16.742 ( -11.310 0.000 -1.384) 11.395 16.742 ( 11.310 0.000 -1.384) 11.395 17.391 ( -3.973 0.000 -15.670) 16.166 17.391 ( 3.973 0.000 -15.670) 16.166 17.843 ( -9.678 0.000 -10.845) 14.535 17.843 ( 9.678 0.000 -10.845) 14.535 18.227 ( -6.652 0.000 -1.298) 6.778 18.227 ( 6.652 0.000 -1.298) 6.778 18.723 ( -10.941 0.000 -11.224) 15.674 18.723 ( 10.941 0.000 -11.224) 15.674 19.188 ( -13.069 0.000 -0.501) 13.078 19.188 ( 13.069 0.000 -0.501) 13.078 19.449 ( -5.080 0.000 -16.185) 16.963 19.449 ( 5.080 0.000 -16.185) 16.963 19.814 ( -5.548 0.000 -17.777) 18.623 19.814 ( 5.548 0.000 -17.777) 18.623 20.052 ( -14.586 0.000 -5.452) 15.571 20.052 ( 14.586 0.000 -5.452) 15.571 20.678 ( -8.132 0.000 -17.227) 19.050 20.678 ( 8.132 0.000 -17.227) 19.050 21.218 ( -6.745 0.000 -1.235) 6.857 21.218 ( 6.745 0.000 -1.235) 6.857 21.770 ( -3.831 0.000 -1.140) 3.997 21.770 ( 3.831 0.000 -1.140) 3.997 21.790 ( -1.578 0.000 0.094) 1.581 21.790 ( 1.578 0.000 0.094) 1.581 22.614 ( -12.461 0.000 -16.352) 20.559 22.614 ( 12.461 0.000 -16.352) 20.559 22.728 ( -10.343 0.000 -9.113) 13.785 22.728 ( 10.343 0.000 -9.113) 13.785 23.941 ( -16.126 0.000 1.217) 16.172 23.941 ( 16.126 0.000 1.217) 16.172 24.266 ( -0.964 0.000 5.265) 5.353 24.266 ( 0.964 0.000 5.265) 5.353 24.928 ( -0.693 0.000 -4.910) 4.959 24.928 ( 0.693 0.000 -4.910) 4.959 24.987 ( -8.662 0.000 -3.805) 9.461 24.987 ( 8.662 0.000 -3.805) 9.461 26.075 ( -21.025 0.000 9.323) 22.999 26.075 ( 21.025 0.000 9.323) 22.999 26.221 ( -16.536 0.000 7.260) 18.059 26.221 ( 16.536 0.000 7.260) 18.059 27.453 ( -17.042 0.000 -8.714) 19.140 27.453 ( 17.042 0.000 -8.714) 19.140 27.789 ( -5.749 0.000 -7.520) 9.465 27.789 ( 5.749 0.000 -7.520) 9.465 28.851 ( -5.788 0.000 0.191) 5.791 28.851 ( 5.788 0.000 0.191) 5.791 29.800 ( -3.708 0.000 6.726) 7.680 29.800 ( 3.708 0.000 6.726) 7.680 30.026 ( -7.561 0.000 5.283) 9.224 30.026 ( 7.561 0.000 5.283) 9.224 30.280 ( -9.873 0.000 21.819) 23.949 30.280 ( 9.873 0.000 21.819) 23.949 30.382 ( -4.278 0.000 9.863) 10.751 30.382 ( 4.278 0.000 9.863) 10.751 30.710 ( -8.712 0.000 1.541) 8.848 30.710 ( 8.712 0.000 1.541) 8.848 31.422 ( -6.096 0.000 1.933) 6.395 31.422 ( 6.096 0.000 1.933) 6.395 31.671 ( -14.445 0.000 -11.611) 18.533 31.671 ( 14.445 0.000 -11.611) 18.533 32.620 ( -4.133 0.000 24.271) 24.620 32.620 ( 4.133 0.000 24.271) 24.620 33.305 ( -10.827 0.000 18.020) 21.022 33.305 ( 10.827 0.000 18.020) 21.022 33.613 ( -10.715 0.000 6.068) 12.314 33.613 ( 10.715 0.000 6.068) 12.314 34.020 ( -11.605 0.000 14.650) 18.690 34.020 ( 11.605 0.000 14.650) 18.690 35.233 ( -13.593 0.000 0.831) 13.619 35.233 ( 13.593 0.000 0.831) 13.619 35.608 ( -21.378 0.000 -11.702) 24.372 35.608 ( 21.378 0.000 -11.702) 24.372 36.201 ( -0.686 0.000 2.058) 2.169 36.201 ( 0.686 0.000 2.058) 2.169 36.864 ( -9.585 0.000 -18.909) 21.199 36.864 ( 9.585 0.000 -18.909) 21.199 ======================= Grid point 147 (53/84) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.756 ( 0.000 -0.785 4.073) 4.148 2.793 ( 0.000 3.509 5.500) 6.524 2.866 ( 0.000 0.013 4.176) 4.176 2.893 ( 0.000 0.831 6.129) 6.186 2.974 ( 0.000 3.064 4.644) 5.564 3.071 ( 0.000 -4.944 1.109) 5.067 3.152 ( 0.000 1.010 -1.177) 1.551 3.213 ( 0.000 2.701 -3.008) 4.042 3.374 ( 0.000 -2.371 4.748) 5.307 3.443 ( 0.000 0.096 -0.820) 0.826 3.561 ( 0.000 6.205 3.161) 6.963 3.812 ( 0.000 -1.903 6.356) 6.635 5.327 ( 0.000 13.962 26.195) 29.684 5.442 ( 0.000 12.050 3.703) 12.606 5.544 ( 0.000 4.175 -9.147) 10.055 5.720 ( 0.000 4.417 25.483) 25.863 5.934 ( 0.000 8.412 10.775) 13.669 6.368 ( 0.000 -8.882 7.777) 11.806 6.613 ( 0.000 -10.006 -1.961) 10.196 6.682 ( 0.000 -9.858 5.589) 11.332 6.842 ( 0.000 -7.984 -3.327) 8.650 7.173 ( 0.000 -14.128 7.857) 16.166 7.206 ( 0.000 -7.716 13.001) 15.118 7.757 ( 0.000 -12.916 2.392) 13.136 7.862 ( 0.000 -4.156 17.453) 17.941 7.876 ( 0.000 21.300 -6.081) 22.151 8.063 ( 0.000 -5.912 6.446) 8.747 8.187 ( 0.000 0.026 0.188) 0.189 8.360 ( 0.000 5.949 35.402) 35.898 8.938 ( 0.000 4.822 34.941) 35.273 9.069 ( 0.000 -9.651 18.620) 20.972 9.168 ( 0.000 8.023 -3.901) 8.921 9.402 ( 0.000 14.456 18.752) 23.677 9.887 ( 0.000 12.631 3.032) 12.990 10.058 ( 0.000 -9.196 24.067) 25.764 10.129 ( 0.000 5.211 21.311) 21.939 10.168 ( 0.000 0.469 21.474) 21.479 10.543 ( 0.000 9.210 8.382) 12.453 10.764 ( 0.000 -7.397 -3.687) 8.265 11.241 ( 0.000 4.719 5.563) 7.294 11.358 ( 0.000 -2.912 5.935) 6.611 11.436 ( 0.000 -8.300 2.969) 8.815 11.726 ( 0.000 -0.678 6.790) 6.824 12.015 ( 0.000 -1.081 4.705) 4.828 12.020 ( 0.000 -18.551 -6.917) 19.798 12.215 ( 0.000 -6.030 3.704) 7.077 12.404 ( 0.000 20.108 -3.476) 20.406 12.526 ( 0.000 -13.189 16.161) 20.859 12.916 ( 0.000 13.404 -9.616) 16.496 13.132 ( 0.000 3.367 6.671) 7.473 13.401 ( 0.000 -25.918 1.383) 25.955 13.403 ( 0.000 -3.769 -0.101) 3.770 13.719 ( 0.000 8.427 -3.807) 9.248 13.928 ( 0.000 -11.853 -7.444) 13.996 14.167 ( 0.000 -2.508 -9.442) 9.769 14.344 ( 0.000 -0.177 -3.126) 3.131 14.618 ( 0.000 -4.290 2.355) 4.894 14.830 ( 0.000 29.487 6.352) 30.164 15.419 ( 0.000 25.548 -4.717) 25.980 15.683 ( 0.000 2.615 -12.977) 13.238 15.811 ( 0.000 -3.540 2.217) 4.177 16.022 ( 0.000 -10.438 -5.023) 11.584 16.085 ( 0.000 6.430 -3.679) 7.409 16.382 ( 0.000 4.853 -17.357) 18.022 16.891 ( 0.000 2.589 16.667) 16.867 17.049 ( 0.000 -6.127 -21.548) 22.402 17.224 ( 0.000 -4.565 -8.393) 9.554 17.242 ( 0.000 -17.458 -2.549) 17.643 17.437 ( 0.000 -1.360 -11.379) 11.460 17.620 ( 0.000 -7.718 -13.748) 15.766 17.744 ( 0.000 1.646 -2.481) 2.978 17.811 ( 0.000 4.882 -13.864) 14.699 17.951 ( 0.000 1.743 -14.864) 14.966 18.317 ( 0.000 -10.064 0.781) 10.094 18.366 ( 0.000 10.487 5.088) 11.656 18.670 ( 0.000 9.738 -8.464) 12.902 18.935 ( 0.000 4.368 0.458) 4.392 19.137 ( 0.000 -2.264 -1.271) 2.596 19.352 ( 0.000 -12.233 -18.301) 22.013 19.356 ( 0.000 -13.194 -17.830) 22.181 19.823 ( 0.000 10.118 -26.423) 28.294 20.100 ( 0.000 8.408 -10.907) 13.772 20.181 ( 0.000 0.906 -3.794) 3.901 20.308 ( 0.000 -10.065 -14.498) 17.649 20.541 ( 0.000 -4.764 -9.367) 10.508 20.824 ( 0.000 -11.251 0.099) 11.251 20.931 ( 0.000 17.600 -3.253) 17.898 21.366 ( 0.000 -1.005 -5.666) 5.754 21.657 ( 0.000 12.073 -5.106) 13.108 21.737 ( 0.000 -1.827 -6.562) 6.811 21.780 ( 0.000 -1.060 8.021) 8.091 21.864 ( 0.000 -1.431 -0.490) 1.512 22.247 ( 0.000 2.615 -16.987) 17.187 22.285 ( 0.000 2.541 -16.799) 16.990 22.826 ( 0.000 0.975 -20.578) 20.601 23.035 ( 0.000 -3.681 -7.585) 8.431 23.158 ( 0.000 2.982 6.145) 6.830 23.927 ( 0.000 -21.020 0.117) 21.020 24.179 ( 0.000 8.216 7.289) 10.983 24.536 ( 0.000 -6.066 -5.401) 8.122 24.733 ( 0.000 21.411 8.549) 23.054 24.819 ( 0.000 -2.531 1.154) 2.781 24.960 ( 0.000 -4.793 -4.486) 6.565 25.751 ( 0.000 8.862 -5.262) 10.306 25.760 ( 0.000 0.626 5.145) 5.183 25.950 ( 0.000 14.243 4.176) 14.843 26.159 ( 0.000 6.296 -13.191) 14.616 27.205 ( 0.000 -13.156 4.315) 13.845 27.447 ( 0.000 -22.330 -11.522) 25.128 27.577 ( 0.000 -41.172 2.836) 41.270 27.881 ( 0.000 5.951 4.341) 7.365 28.269 ( 0.000 16.218 -5.038) 16.983 29.030 ( 0.000 -5.823 8.897) 10.633 29.077 ( 0.000 9.632 16.322) 18.952 29.503 ( 0.000 -0.585 9.604) 9.622 29.681 ( 0.000 0.433 1.855) 1.905 29.838 ( 0.000 20.718 -8.289) 22.314 30.026 ( 0.000 2.131 8.507) 8.770 30.093 ( 0.000 -3.420 10.761) 11.292 30.362 ( 0.000 -1.217 -4.038) 4.218 30.374 ( 0.000 0.298 5.717) 5.724 30.483 ( 0.000 -7.578 8.411) 11.321 30.556 ( 0.000 -6.997 1.987) 7.273 30.866 ( 0.000 -3.544 16.591) 16.966 30.867 ( 0.000 5.378 5.832) 7.933 31.124 ( 0.000 -1.158 2.075) 2.376 31.556 ( 0.000 8.232 -0.842) 8.275 31.577 ( 0.000 -4.632 7.295) 8.641 32.799 ( 0.000 5.237 25.886) 26.411 32.837 ( 0.000 12.034 10.515) 15.980 33.052 ( 0.000 -0.634 18.609) 18.619 33.324 ( 0.000 1.268 4.084) 4.277 33.403 ( 0.000 -1.458 -0.113) 1.463 33.665 ( 0.000 -8.718 17.073) 19.170 33.795 ( 0.000 4.316 4.341) 6.121 34.141 ( 0.000 -4.774 18.273) 18.886 34.926 ( 0.000 0.723 11.504) 11.527 35.009 ( 0.000 -2.412 9.390) 9.695 35.833 ( 0.000 5.382 -5.324) 7.571 36.074 ( 0.000 -1.738 -7.253) 7.459 36.226 ( 0.000 6.857 -2.027) 7.151 36.243 ( 0.000 3.898 4.572) 6.008 36.766 ( 0.000 -0.250 -18.920) 18.922 37.183 ( 0.000 -8.115 -35.566) 36.480 ======================= Grid point 148 (54/84) ======================= q-point: ( 0.17 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -3.585 3.511 7.400) 8.941 2.810 ( -1.497 1.331 -0.208) 2.014 2.865 ( 1.077 -0.802 5.360) 5.526 2.925 ( 1.696 -1.423 6.341) 6.716 2.995 ( 2.820 3.437 4.032) 6.002 3.087 ( 1.568 -4.297 0.643) 4.619 3.139 ( -0.696 -0.305 -0.781) 1.090 3.247 ( 1.696 3.022 -3.434) 4.879 3.346 ( -0.905 -1.569 4.760) 5.093 3.472 ( 1.701 2.279 1.729) 3.328 3.559 ( 0.182 3.556 1.735) 3.961 3.786 ( -2.614 -1.841 5.466) 6.332 5.388 ( 6.200 12.060 24.413) 27.926 5.489 ( 5.469 10.112 2.644) 11.796 5.614 ( 7.943 8.773 -5.555) 13.073 5.794 ( 5.923 3.547 19.707) 20.881 5.993 ( 5.210 6.093 10.030) 12.841 6.393 ( 2.503 -7.226 7.718) 10.865 6.609 ( -0.325 -10.457 -1.605) 10.585 6.753 ( 5.609 -3.153 4.632) 7.928 6.857 ( -5.517 -14.393 3.226) 15.748 7.012 ( 2.471 -8.182 1.307) 8.646 7.460 ( 13.530 -5.405 8.508) 16.872 7.599 ( -11.770 -14.070 15.129) 23.778 7.758 ( -6.179 3.162 1.665) 7.138 7.987 ( -6.833 -5.761 11.899) 14.882 8.055 ( 10.850 3.505 10.915) 15.785 8.349 ( 16.318 4.891 2.238) 17.182 8.437 ( 8.520 6.614 31.513) 33.308 8.830 ( -6.364 4.966 19.245) 20.870 9.076 ( 0.316 -8.092 26.062) 27.291 9.203 ( 3.014 12.659 -4.980) 13.933 9.453 ( 3.027 8.783 22.502) 24.344 9.788 ( -7.117 2.480 5.138) 9.122 10.071 ( -6.612 13.512 9.262) 17.665 10.109 ( -4.335 0.353 29.215) 29.537 10.140 ( 3.049 -12.143 18.332) 22.199 10.577 ( 4.099 10.855 7.188) 13.649 10.808 ( 0.528 -3.346 -4.789) 5.866 11.030 ( -14.083 -2.129 10.629) 17.772 11.250 ( -11.425 -1.094 8.326) 14.179 11.498 ( -13.128 0.832 8.573) 15.701 11.641 ( 1.874 -8.380 1.059) 8.652 11.782 ( -8.616 5.364 2.657) 10.491 12.027 ( -4.379 -19.361 -2.998) 20.075 12.195 ( -9.496 -1.226 6.012) 11.305 12.398 ( -5.814 -0.086 7.558) 9.536 12.532 ( 13.017 -4.749 1.394) 13.926 12.912 ( -2.098 10.052 -7.566) 12.755 13.113 ( -1.737 4.572 7.550) 8.996 13.377 ( -4.088 -16.008 0.072) 16.522 13.439 ( 3.265 -1.212 -0.380) 3.503 13.695 ( -1.578 5.414 -4.183) 7.021 13.861 ( -9.224 -12.106 -13.652) 20.446 14.193 ( 6.289 -6.911 -3.367) 9.932 14.438 ( 6.855 -6.675 -4.157) 10.432 14.671 ( 6.819 6.430 5.474) 10.854 14.939 ( 10.943 25.882 4.167) 28.408 15.381 ( -3.426 24.022 -1.808) 24.333 15.783 ( 6.434 -2.758 -9.592) 11.875 15.862 ( 6.891 2.986 -6.172) 9.721 16.051 ( 0.349 -0.847 -0.356) 0.983 16.113 ( 6.163 -6.530 -4.273) 9.943 16.441 ( 5.450 3.463 -14.379) 15.762 16.825 ( -6.222 -0.023 10.856) 12.513 16.956 ( -15.563 -6.331 -13.038) 21.267 17.034 ( -2.764 -4.941 -17.659) 18.545 17.243 ( -12.464 6.048 1.354) 13.920 17.431 ( 5.657 -9.950 -6.835) 13.331 17.675 ( -1.571 2.787 -11.712) 12.141 17.732 ( -1.571 -4.317 -7.331) 8.652 17.845 ( -2.990 -1.446 -13.983) 14.372 17.968 ( 12.592 -3.517 -16.815) 21.300 18.266 ( -5.717 -2.360 6.846) 9.226 18.305 ( -4.659 -0.283 -5.637) 7.319 18.757 ( 6.213 7.087 -7.233) 11.881 18.952 ( 2.562 2.896 1.348) 4.095 19.227 ( 7.456 -0.506 -3.400) 8.210 19.380 ( 2.883 -11.666 -16.982) 20.804 19.402 ( 5.244 -10.523 -17.246) 20.872 19.810 ( -1.558 9.570 -25.447) 27.232 19.912 ( -16.104 -0.024 -2.492) 16.295 20.106 ( 0.001 6.278 -11.665) 13.247 20.474 ( -3.351 -7.342 -17.597) 19.360 20.538 ( 8.100 2.060 -8.404) 11.853 20.828 ( -1.210 -7.619 -2.738) 8.186 20.919 ( 2.152 12.062 -2.491) 12.503 21.375 ( -1.014 0.103 -3.719) 3.856 21.614 ( -0.763 5.844 -4.096) 7.177 21.718 ( 0.490 -2.981 0.142) 3.024 21.832 ( -0.388 -1.965 -6.501) 6.803 21.897 ( 3.797 4.891 5.502) 8.283 22.261 ( 2.602 1.809 -15.634) 15.952 22.359 ( 7.737 1.983 -13.784) 15.931 22.826 ( -0.863 -0.237 -19.749) 19.769 23.014 ( -2.857 -1.199 -10.834) 11.269 23.268 ( 11.950 0.606 8.320) 14.573 23.956 ( 2.714 -18.983 -1.059) 19.205 24.210 ( 2.701 6.493 6.218) 9.388 24.443 ( -7.976 -1.922 -3.057) 8.756 24.787 ( 2.826 7.819 6.253) 10.403 24.831 ( 1.489 1.687 0.151) 2.255 24.973 ( 2.480 -0.278 -3.549) 4.338 25.603 ( -10.707 12.498 -6.891) 17.842 25.798 ( 2.327 2.306 8.864) 9.450 25.940 ( 0.295 12.997 0.768) 13.023 26.319 ( 12.404 2.405 -8.289) 15.111 26.968 ( -23.124 -14.142 5.165) 27.593 27.420 ( -2.791 -19.920 -5.386) 20.823 27.524 ( -7.504 -26.799 -2.308) 27.925 27.745 ( -9.630 -1.755 0.982) 9.837 28.163 ( -11.089 9.012 -5.102) 15.173 28.931 ( -3.210 7.532 7.576) 11.154 29.292 ( 12.186 -1.350 14.817) 19.232 29.468 ( -11.042 4.054 5.900) 13.160 29.636 ( 0.353 5.064 2.058) 5.478 29.766 ( 6.065 6.359 1.847) 8.980 30.045 ( 1.019 0.006 9.080) 9.137 30.150 ( 1.329 -2.971 5.392) 6.299 30.268 ( -0.860 2.578 6.218) 6.785 30.422 ( -2.172 -13.091 13.911) 19.225 30.524 ( 1.228 4.046 5.829) 7.201 30.741 ( -2.329 -9.475 6.075) 11.493 30.827 ( 17.046 1.513 -3.533) 17.474 31.018 ( 8.548 -1.727 6.484) 10.866 31.094 ( 0.850 9.145 1.370) 9.286 31.526 ( 0.475 3.480 0.314) 3.526 31.707 ( 8.064 -2.289 3.387) 9.041 32.737 ( -4.908 6.543 20.683) 22.241 32.842 ( -0.653 10.493 15.702) 18.897 33.031 ( -0.229 -1.770 16.944) 17.038 33.342 ( 2.603 2.084 7.796) 8.479 33.494 ( 5.418 -2.626 5.810) 8.368 33.637 ( -0.893 -7.913 18.889) 20.499 33.823 ( 1.953 4.596 2.466) 5.570 34.178 ( 2.265 -5.143 14.348) 15.409 34.939 ( 2.215 0.865 9.958) 10.238 35.033 ( 3.988 -1.772 6.571) 7.889 35.753 ( -8.267 5.695 -4.804) 11.129 36.050 ( -3.466 -3.021 -8.354) 9.536 36.226 ( 0.486 5.554 0.333) 5.586 36.270 ( 2.106 6.210 0.533) 6.579 36.721 ( -3.766 -0.902 -17.006) 17.441 37.127 ( -5.873 -7.980 -32.524) 34.000 ======================= Grid point 149 (55/84) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( -0.040 4.813 7.166) 8.633 2.755 ( -3.775 2.465 1.807) 4.857 2.893 ( 1.605 -1.407 3.022) 3.700 2.934 ( -0.302 -1.961 4.018) 4.481 3.071 ( 4.597 1.309 3.525) 5.939 3.118 ( 1.452 -3.146 -0.574) 3.512 3.134 ( 0.058 -1.249 -0.888) 1.534 3.225 ( -3.204 0.004 0.390) 3.228 3.381 ( 3.487 2.616 3.231) 5.426 3.478 ( -1.115 5.742 5.294) 7.890 3.585 ( 2.603 -1.416 -0.925) 3.104 3.722 ( -4.059 -1.843 3.242) 5.512 5.534 ( 8.902 7.875 15.342) 19.407 5.643 ( 10.669 8.855 5.775) 15.019 5.785 ( 3.329 4.151 -2.217) 5.765 5.915 ( 13.051 14.655 11.530) 22.761 6.040 ( -2.800 2.450 10.154) 10.815 6.461 ( 2.422 1.881 3.427) 4.599 6.610 ( 1.116 -10.960 2.388) 11.273 6.702 ( -4.880 -9.581 -0.268) 10.755 6.823 ( -1.845 1.070 9.433) 9.671 7.127 ( 5.719 -19.646 8.182) 22.037 7.278 ( -14.598 -15.828 6.185) 22.403 7.670 ( -9.532 -5.888 3.618) 11.774 7.762 ( 10.750 0.781 10.315) 14.919 7.922 ( 7.073 -2.230 26.815) 27.821 8.217 ( 8.255 9.030 13.012) 17.860 8.647 ( 13.363 6.579 34.842) 37.892 8.724 ( 18.372 -3.917 3.038) 19.029 8.858 ( 9.402 5.806 8.511) 13.947 9.077 ( 1.059 -4.367 17.697) 18.258 9.250 ( 3.482 11.756 1.525) 12.355 9.474 ( -0.627 8.533 13.807) 16.243 9.706 ( -0.980 -3.542 9.798) 10.465 9.843 ( -15.855 0.000 16.883) 23.160 10.017 ( -6.071 9.931 13.462) 17.796 10.149 ( -4.063 3.500 12.072) 13.209 10.561 ( -20.347 2.139 7.786) 21.891 10.664 ( -0.568 1.978 -1.269) 2.417 10.854 ( -6.106 -6.600 19.077) 21.090 10.995 ( -12.650 0.736 12.878) 18.066 11.147 ( -17.734 1.038 10.948) 20.867 11.634 ( 5.789 -1.499 -0.791) 6.032 11.871 ( 3.001 -14.091 1.897) 14.531 11.926 ( -3.739 -0.053 -2.377) 4.430 12.001 ( -8.691 -12.487 8.445) 17.401 12.329 ( 2.939 4.480 7.385) 9.124 12.777 ( -10.086 3.377 -4.627) 11.599 12.866 ( 17.180 -5.491 -3.688) 18.410 13.094 ( 0.459 4.411 7.032) 8.314 13.246 ( -8.280 -5.616 2.202) 10.244 13.489 ( -2.746 5.532 -0.510) 6.197 13.610 ( -6.607 -11.959 -14.960) 20.260 13.707 ( -3.460 2.004 -6.336) 7.492 14.353 ( 8.836 -12.393 -1.640) 15.309 14.514 ( 0.984 -15.897 -4.118) 16.451 14.881 ( 14.315 17.264 6.071) 23.234 15.201 ( 15.841 24.041 0.098) 28.790 15.296 ( -5.372 20.105 3.072) 21.036 15.778 ( -8.127 8.800 -1.387) 12.059 16.031 ( 9.536 -6.067 -8.769) 14.306 16.134 ( 10.012 -6.706 -2.851) 12.383 16.282 ( 10.748 -9.949 -3.595) 15.081 16.524 ( 0.757 -3.495 -3.553) 5.041 16.663 ( -13.216 3.253 -13.795) 19.379 16.697 ( -9.083 -5.634 -4.001) 11.413 16.948 ( -4.770 0.910 -13.273) 14.133 17.043 ( -7.969 11.995 3.171) 14.746 17.460 ( -1.945 3.146 -6.439) 7.426 17.574 ( -9.573 2.971 -15.005) 18.045 17.694 ( 5.486 0.775 -10.841) 12.175 17.924 ( 7.103 -12.284 -11.029) 17.973 18.044 ( -8.381 0.578 -3.317) 9.032 18.197 ( -6.770 -10.760 -7.948) 14.992 18.335 ( 15.676 -9.270 -10.482) 21.013 18.787 ( -4.027 -4.113 -6.980) 9.048 19.056 ( 8.235 5.019 2.181) 9.887 19.319 ( 0.546 -3.685 -13.334) 13.845 19.460 ( 5.228 4.643 -13.583) 15.277 19.526 ( 6.191 -8.457 -9.530) 14.166 19.675 ( -7.256 -0.861 -1.568) 7.473 19.757 ( -4.237 6.115 -23.635) 24.778 20.117 ( 1.903 8.686 -12.758) 15.551 20.358 ( -7.891 -3.503 -4.440) 9.709 20.610 ( 1.584 10.647 -23.357) 25.718 20.776 ( -4.249 -3.368 -10.557) 11.868 21.057 ( 10.343 1.487 -0.749) 10.476 21.317 ( -4.081 -0.190 -3.912) 5.656 21.657 ( 3.354 -0.971 -1.896) 3.974 21.722 ( -0.476 -1.229 -1.112) 1.725 21.812 ( -0.225 -0.809 -1.915) 2.091 21.922 ( -1.663 4.573 2.591) 5.513 22.382 ( 10.468 1.150 -14.002) 17.521 22.548 ( 11.731 1.635 -9.390) 15.115 22.764 ( -6.187 -1.160 -17.022) 18.149 22.926 ( -6.768 1.037 -10.218) 12.299 23.557 ( 17.792 -2.495 5.242) 18.715 24.002 ( 0.729 -12.167 -3.305) 12.629 24.224 ( -3.000 -4.177 3.176) 6.045 24.297 ( -5.798 -1.134 0.067) 5.908 24.804 ( 1.075 -3.412 3.028) 4.686 24.868 ( 1.066 10.417 1.813) 10.627 25.077 ( 8.378 7.089 -3.720) 11.588 25.417 ( -9.321 16.269 -7.110) 20.053 25.834 ( 3.218 2.830 10.040) 10.916 26.028 ( 8.952 7.264 0.409) 11.536 26.442 ( -12.798 -8.491 4.903) 16.122 26.498 ( -14.295 -0.233 6.928) 15.887 27.303 ( -3.400 -0.833 -1.596) 3.847 27.442 ( -0.732 -19.118 -10.674) 21.908 27.627 ( -4.104 -20.092 -4.271) 20.947 27.884 ( -17.699 0.668 -8.328) 19.572 28.915 ( 1.389 11.400 5.353) 12.671 29.153 ( -12.690 12.321 1.481) 17.750 29.579 ( 12.906 -8.080 15.458) 21.698 29.783 ( 9.244 -1.570 7.826) 12.214 29.859 ( 3.247 5.346 4.478) 7.692 30.046 ( -1.605 -3.238 6.455) 7.398 30.145 ( -0.416 -4.809 6.756) 8.303 30.240 ( -4.094 -8.789 16.629) 19.249 30.412 ( 2.610 0.869 9.290) 9.688 30.552 ( 0.790 6.158 7.947) 10.084 30.653 ( -2.406 0.338 7.700) 8.074 30.887 ( -7.246 -3.843 0.787) 8.240 31.266 ( 14.188 3.436 -1.826) 14.711 31.277 ( 13.080 2.546 -4.467) 14.055 31.557 ( 3.143 3.547 -1.841) 5.084 31.795 ( -0.129 -3.141 -3.276) 4.541 32.671 ( -1.112 7.733 22.233) 23.566 32.796 ( -4.335 9.700 19.605) 22.299 33.090 ( 6.665 -3.879 17.538) 19.159 33.415 ( -2.536 -4.336 14.348) 15.201 33.469 ( 2.996 1.367 12.650) 13.072 33.744 ( 7.614 -3.718 11.375) 14.184 33.817 ( -1.812 2.935 6.330) 7.209 34.148 ( -6.428 -5.334 12.323) 14.887 35.045 ( 9.642 2.437 4.837) 11.059 35.217 ( 16.250 -1.822 -2.343) 16.519 35.546 ( -13.527 5.787 -3.339) 15.087 35.902 ( -13.253 -4.312 -11.208) 17.884 36.244 ( 1.388 5.998 0.264) 6.162 36.293 ( -0.145 8.355 -1.813) 8.551 36.694 ( 2.397 -3.757 -13.792) 14.494 36.981 ( -9.332 -7.401 -25.167) 27.843 ======================= Grid point 150 (56/84) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( -3.146 4.053 4.731) 6.979 2.687 ( 3.146 4.053 4.731) 6.979 2.920 ( -1.205 -1.783 2.655) 3.418 2.920 ( 1.205 -1.783 2.655) 3.418 3.132 ( -0.331 -1.765 -1.037) 2.073 3.132 ( 0.331 -1.765 -1.037) 2.073 3.155 ( -3.945 -0.284 2.159) 4.506 3.155 ( 3.945 -0.284 2.159) 4.506 3.441 ( -2.705 4.553 4.679) 7.067 3.441 ( 2.705 4.553 4.679) 7.067 3.646 ( -3.909 -2.025 0.532) 4.434 3.646 ( 3.909 -2.025 0.532) 4.434 5.693 ( -7.284 4.663 6.423) 10.772 5.693 ( 7.284 4.663 6.423) 10.772 5.885 ( -11.531 5.991 8.756) 15.670 5.885 ( 11.531 5.991 8.756) 15.670 6.265 ( -19.717 18.059 1.769) 26.796 6.265 ( 19.717 18.059 1.769) 26.796 6.663 ( -4.074 -13.427 5.586) 15.102 6.663 ( 4.074 -13.427 5.586) 15.102 6.918 ( -15.153 -14.419 10.069) 23.214 6.918 ( 15.153 -14.419 10.069) 23.214 7.407 ( -15.432 -14.813 4.799) 21.923 7.407 ( 15.432 -14.813 4.799) 21.923 7.927 ( -7.044 10.082 16.631) 20.684 7.927 ( 7.044 10.082 16.631) 20.684 8.531 ( -20.352 -3.777 27.797) 34.658 8.531 ( 20.352 -3.777 27.797) 34.658 8.998 ( -9.069 2.045 -3.799) 10.043 8.998 ( 9.069 2.045 -3.799) 10.043 9.249 ( -20.725 7.555 13.520) 25.873 9.249 ( 20.725 7.555 13.520) 25.873 9.505 ( -17.924 2.762 17.013) 24.867 9.505 ( 17.924 2.762 17.013) 24.867 9.848 ( -13.373 -2.132 3.039) 13.879 9.848 ( 13.373 -2.132 3.039) 13.879 10.154 ( -13.549 15.143 18.351) 27.379 10.154 ( 13.549 15.143 18.351) 27.379 10.744 ( -6.638 -8.115 7.598) 12.948 10.744 ( 6.638 -8.115 7.598) 12.948 10.925 ( -5.862 -1.195 14.929) 16.083 10.925 ( 5.862 -1.195 14.929) 16.083 11.783 ( -7.738 1.308 -2.728) 8.309 11.783 ( 7.738 1.308 -2.728) 8.309 11.919 ( -0.557 -14.167 6.864) 15.752 11.919 ( 0.557 -14.167 6.864) 15.752 12.519 ( -14.754 5.888 1.645) 15.970 12.519 ( 14.754 5.888 1.645) 15.970 13.108 ( -5.517 -0.649 4.437) 7.110 13.108 ( 5.517 -0.649 4.437) 7.110 13.243 ( -16.098 -7.139 -7.194) 19.023 13.243 ( 16.098 -7.139 -7.194) 19.023 13.642 ( -4.115 2.494 -6.269) 7.903 13.642 ( 4.115 2.494 -6.269) 7.903 14.480 ( -4.557 -15.469 -2.492) 16.318 14.480 ( 4.557 -15.469 -2.492) 16.318 15.129 ( -11.329 20.378 1.996) 23.401 15.129 ( 11.329 20.378 1.996) 23.401 15.529 ( -16.883 15.985 3.276) 23.479 15.529 ( 16.883 15.985 3.276) 23.479 16.219 ( -7.356 -13.963 -6.663) 17.131 16.219 ( 7.356 -13.963 -6.663) 17.131 16.445 ( -3.396 -9.619 -0.786) 10.231 16.445 ( 3.396 -9.619 -0.786) 10.231 16.546 ( -1.909 4.147 -10.037) 11.027 16.546 ( 1.909 4.147 -10.037) 11.027 16.941 ( -3.330 9.311 -6.195) 11.669 16.941 ( 3.330 9.311 -6.195) 11.669 17.451 ( -2.829 6.281 -11.655) 13.539 17.451 ( 2.829 6.281 -11.655) 13.539 17.854 ( -10.490 1.116 -8.072) 13.284 17.854 ( 10.490 1.116 -8.072) 13.284 18.063 ( -7.548 -13.908 -8.879) 18.145 18.063 ( 7.548 -13.908 -8.879) 18.145 18.620 ( -13.291 -11.964 -9.833) 20.408 18.620 ( 13.291 -11.964 -9.833) 20.408 19.222 ( -8.887 3.910 -2.787) 10.102 19.222 ( 8.887 3.910 -2.787) 10.102 19.551 ( -3.482 7.213 -9.372) 12.328 19.551 ( 3.482 7.213 -9.372) 12.328 19.672 ( -4.001 -5.773 -16.978) 18.373 19.672 ( 4.001 -5.773 -16.978) 18.373 20.204 ( -7.533 5.733 -8.207) 12.529 20.204 ( 7.533 5.733 -8.207) 12.529 20.678 ( -5.506 3.556 -18.023) 19.178 20.678 ( 5.506 3.556 -18.023) 19.178 21.223 ( -6.832 -1.086 -3.308) 7.668 21.223 ( 6.832 -1.086 -3.307) 7.668 21.699 ( -1.613 -2.002 -2.068) 3.299 21.699 ( 1.613 -2.002 -2.068) 3.299 21.858 ( -4.280 2.127 2.012) 5.185 21.858 ( 4.280 2.127 2.012) 5.185 22.598 ( -11.310 -0.069 -14.451) 18.351 22.598 ( 11.310 -0.069 -14.451) 18.351 22.762 ( -10.728 1.737 -8.638) 13.882 22.762 ( 10.728 1.737 -8.638) 13.882 23.871 ( -14.504 -4.793 -0.196) 15.277 23.871 ( 14.504 -4.793 -0.196) 15.277 24.216 ( -3.634 -8.230 1.257) 9.084 24.216 ( 3.634 -8.230 1.257) 9.084 24.849 ( -2.784 5.273 2.783) 6.580 24.849 ( 2.784 5.273 2.783) 6.580 25.248 ( -9.281 13.892 -6.024) 17.760 25.248 ( 9.281 13.892 -6.024) 17.760 25.997 ( -14.735 -4.654 5.040) 16.254 25.997 ( 14.735 -4.654 5.040) 16.254 26.309 ( -12.310 5.828 10.745) 17.348 26.309 ( 12.310 5.828 10.745) 17.348 27.396 ( -7.217 -6.933 -5.843) 11.589 27.396 ( 7.217 -6.933 -5.843) 11.589 27.617 ( -6.474 -13.880 -10.954) 18.830 27.617 ( 6.474 -13.880 -10.954) 18.830 28.983 ( -6.086 12.546 3.551) 14.389 28.983 ( 6.086 12.546 3.551) 14.389 29.782 ( -7.809 -4.546 10.807) 14.087 29.782 ( 7.809 -4.546 10.807) 14.087 29.969 ( -6.559 -3.685 6.061) 9.660 29.969 ( 6.559 -3.685 6.061) 9.660 30.166 ( -2.887 -6.819 13.464) 15.366 30.166 ( 2.887 -6.819 13.464) 15.366 30.489 ( -5.088 6.420 9.985) 12.915 30.489 ( 5.088 6.420 9.985) 12.915 30.735 ( -8.206 1.008 2.202) 8.556 30.735 ( 8.206 1.008 2.202) 8.556 31.402 ( -2.111 0.786 -0.616) 2.335 31.402 ( 2.111 0.786 -0.616) 2.335 31.691 ( -9.695 0.214 -8.202) 12.701 31.691 ( 9.695 0.214 -8.202) 12.701 32.706 ( -4.352 8.849 23.212) 25.219 32.706 ( 4.352 8.849 23.212) 25.219 33.253 ( -10.040 -5.558 18.451) 21.729 33.253 ( 10.040 -5.558 18.451) 21.729 33.647 ( -10.605 3.569 6.972) 13.184 33.647 ( 10.605 3.569 6.972) 13.184 33.970 ( -11.316 -5.079 13.768) 18.531 33.970 ( 11.316 -5.079 13.768) 18.531 35.278 ( -14.576 4.674 -0.376) 15.312 35.278 ( 14.576 4.674 -0.376) 15.312 35.577 ( -20.476 -3.238 -10.036) 23.032 35.577 ( 20.476 -3.238 -10.036) 23.032 36.273 ( -1.594 7.496 -0.743) 7.699 36.273 ( 1.594 7.496 -0.743) 7.699 36.807 ( -8.741 -6.143 -17.342) 20.369 36.807 ( 8.741 -6.143 -17.342) 20.369 ======================= Grid point 154 (57/84) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 124 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 0.000 0.970 5.847) 5.927 2.802 ( 0.000 -3.801 1.787) 4.200 2.867 ( 0.000 2.333 7.994) 8.328 2.894 ( 0.000 -0.546 6.736) 6.758 3.024 ( 0.000 1.554 4.057) 4.345 3.033 ( 0.000 -0.020 5.501) 5.501 3.217 ( 0.000 5.027 0.151) 5.029 3.287 ( 0.000 3.759 -3.697) 5.272 3.314 ( 0.000 -2.779 3.460) 4.438 3.391 ( 0.000 -4.677 -2.517) 5.311 3.683 ( 0.000 5.930 3.962) 7.132 3.766 ( 0.000 -3.293 5.054) 6.032 5.627 ( 0.000 12.014 11.295) 16.490 5.659 ( 0.000 11.356 7.458) 13.586 5.680 ( 0.000 9.723 16.489) 19.142 5.748 ( 0.000 -0.796 9.656) 9.689 6.196 ( 0.000 17.366 4.115) 17.847 6.198 ( 0.000 -7.640 13.278) 15.319 6.310 ( 0.000 -19.172 3.956) 19.576 6.463 ( 0.000 -12.721 -2.464) 12.957 6.757 ( 0.000 2.643 4.084) 4.864 6.931 ( 0.000 -12.924 6.777) 14.593 7.199 ( 0.000 6.352 3.289) 7.153 7.444 ( 0.000 -19.323 0.393) 19.327 7.794 ( 0.000 -0.473 19.226) 19.231 7.876 ( 0.000 -9.188 20.065) 22.069 8.149 ( 0.000 6.018 -5.811) 8.365 8.198 ( 0.000 -0.511 -1.056) 1.173 8.627 ( 0.000 23.031 32.723) 40.015 8.925 ( 0.000 -6.034 38.929) 39.394 9.041 ( 0.000 4.432 7.231) 8.481 9.203 ( 0.000 -9.601 -8.249) 12.658 9.702 ( 0.000 16.881 21.133) 27.048 9.921 ( 0.000 -0.498 30.480) 30.484 9.924 ( 0.000 -5.445 17.099) 17.945 10.024 ( 0.000 -9.524 35.275) 36.538 10.555 ( 0.000 30.097 -1.354) 30.127 10.733 ( 0.000 9.665 -0.228) 9.668 10.774 ( 0.000 4.451 -7.460) 8.687 11.079 ( 0.000 -22.789 1.675) 22.851 11.278 ( 0.000 -4.923 6.684) 8.301 11.296 ( 0.000 -6.575 3.559) 7.476 11.734 ( 0.000 0.636 4.253) 4.300 11.769 ( 0.000 -5.907 -1.713) 6.150 11.939 ( 0.000 -2.952 7.268) 7.845 12.011 ( 0.000 -10.965 10.846) 15.422 12.495 ( 0.000 7.164 9.864) 12.191 12.649 ( 0.000 -2.920 6.672) 7.283 13.054 ( 0.000 -0.846 -1.316) 1.565 13.081 ( 0.000 2.403 -4.222) 4.858 13.338 ( 0.000 13.460 -4.888) 14.320 13.398 ( 0.000 4.431 -9.619) 10.591 13.713 ( 0.000 -9.464 -4.759) 10.594 13.783 ( 0.000 -7.007 -4.244) 8.192 14.098 ( 0.000 -9.100 -3.931) 9.913 14.107 ( 0.000 -3.899 -7.899) 8.809 14.885 ( 0.000 20.347 8.734) 22.142 15.147 ( 0.000 -1.084 8.744) 8.811 15.591 ( 0.000 0.901 -4.733) 4.818 15.732 ( 0.000 -5.185 -2.398) 5.712 15.942 ( 0.000 14.453 -7.517) 16.291 16.052 ( 0.000 21.121 -0.142) 21.121 16.153 ( 0.000 -1.531 -5.593) 5.798 16.392 ( 0.000 -8.727 -4.451) 9.796 16.843 ( 0.000 -4.389 -4.795) 6.501 16.918 ( 0.000 -8.684 -21.050) 22.771 17.016 ( 0.000 -4.511 -3.673) 5.817 17.045 ( 0.000 -8.777 -0.561) 8.795 17.488 ( 0.000 5.950 -11.490) 12.939 17.564 ( 0.000 -1.221 -20.739) 20.774 17.769 ( 0.000 1.028 0.326) 1.078 17.805 ( 0.000 -2.799 -7.093) 7.625 18.013 ( 0.000 4.360 -14.508) 15.149 18.129 ( 0.000 -9.085 -6.265) 11.036 18.621 ( 0.000 15.926 3.426) 16.291 18.806 ( 0.000 1.895 -2.500) 3.137 18.994 ( 0.000 0.076 -6.624) 6.624 19.022 ( 0.000 -9.175 -4.946) 10.423 19.186 ( 0.000 -3.111 -14.263) 14.599 19.187 ( 0.000 -4.152 -11.800) 12.509 19.991 ( 0.000 6.829 -23.427) 24.402 20.071 ( 0.000 -4.724 -12.772) 13.617 20.188 ( 0.000 1.653 -8.495) 8.654 20.270 ( 0.000 -3.607 -22.144) 22.436 20.511 ( 0.000 4.529 -2.283) 5.071 20.642 ( 0.000 -8.502 -3.100) 9.049 21.201 ( 0.000 11.277 -2.974) 11.663 21.331 ( 0.000 -3.535 -3.978) 5.322 21.670 ( 0.000 -1.162 -1.491) 1.890 21.703 ( 0.000 -4.506 -3.482) 5.695 21.886 ( 0.000 7.595 -3.057) 8.187 21.912 ( 0.000 3.415 7.897) 8.604 22.281 ( 0.000 1.194 -17.573) 17.614 22.303 ( 0.000 -0.835 -16.512) 16.533 22.859 ( 0.000 2.822 -17.001) 17.233 22.934 ( 0.000 -5.474 -8.925) 10.470 23.291 ( 0.000 11.086 0.593) 11.102 23.560 ( 0.000 -18.241 -0.057) 18.241 24.360 ( 0.000 9.646 2.993) 10.100 24.464 ( 0.000 -2.360 -4.658) 5.222 24.739 ( 0.000 -4.272 4.361) 6.105 24.766 ( 0.000 -7.019 -0.399) 7.030 25.261 ( 0.000 28.332 12.804) 31.090 25.684 ( 0.000 -12.958 11.358) 17.231 25.923 ( 0.000 8.942 -7.731) 11.821 26.077 ( 0.000 -6.734 -5.047) 8.416 26.400 ( 0.000 24.133 -6.999) 25.128 26.872 ( 0.000 -24.454 0.946) 24.473 27.045 ( 0.000 -11.433 -1.085) 11.484 27.094 ( 0.000 -12.987 -9.931) 16.349 28.056 ( 0.000 12.869 8.175) 15.247 28.303 ( 0.000 -11.199 5.644) 12.541 29.139 ( 0.000 14.745 3.337) 15.118 29.214 ( 0.000 5.329 13.585) 14.593 29.469 ( 0.000 -0.718 12.451) 12.472 29.610 ( 0.000 -9.826 2.574) 10.157 30.031 ( 0.000 -0.846 11.750) 11.781 30.072 ( 0.000 3.889 -5.495) 6.732 30.076 ( 0.000 1.763 0.765) 1.922 30.134 ( 0.000 -14.946 11.330) 18.755 30.388 ( 0.000 2.911 -2.322) 3.724 30.417 ( 0.000 1.135 -3.886) 4.048 30.604 ( 0.000 5.698 4.627) 7.340 30.765 ( 0.000 -10.620 2.661) 10.948 30.995 ( 0.000 14.115 18.328) 23.133 31.190 ( 0.000 -1.795 13.732) 13.849 31.510 ( 0.000 1.376 -1.916) 2.359 31.596 ( 0.000 -3.421 -3.089) 4.609 32.907 ( 0.000 5.727 22.770) 23.479 32.982 ( 0.000 -1.509 18.832) 18.892 33.147 ( 0.000 14.892 12.431) 19.399 33.352 ( 0.000 1.784 5.075) 5.380 33.367 ( 0.000 -3.270 -1.003) 3.420 33.450 ( 0.000 -13.313 19.086) 23.270 33.900 ( 0.000 6.823 7.539) 10.167 34.030 ( 0.000 -7.059 13.683) 15.396 34.942 ( 0.000 1.037 10.919) 10.968 34.968 ( 0.000 -1.881 10.205) 10.377 35.939 ( 0.000 5.615 -6.464) 8.562 36.025 ( 0.000 -3.703 -7.038) 7.953 36.326 ( 0.000 4.182 3.201) 5.267 36.343 ( 0.000 3.584 -0.547) 3.626 36.804 ( 0.000 6.117 -24.778) 25.521 36.988 ( 0.000 -12.212 -32.074) 34.321 ======================= Grid point 155 (58/84) ======================= q-point: ( 0.17 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( -0.009 2.944 5.816) 6.518 2.804 ( 0.072 -2.381 1.598) 2.869 2.862 ( -0.300 1.034 6.307) 6.398 2.890 ( -0.514 -1.694 6.053) 6.307 3.038 ( 1.551 1.131 4.186) 4.605 3.048 ( 1.531 -0.361 4.900) 5.146 3.181 ( -2.133 4.157 0.770) 4.735 3.259 ( -3.178 -3.332 1.238) 4.769 3.358 ( 4.555 4.245 -0.918) 6.293 3.440 ( 3.774 -3.954 -1.717) 5.729 3.662 ( -2.244 5.555 3.883) 7.139 3.741 ( -2.579 -3.255 4.712) 6.281 5.649 ( 4.445 10.157 10.035) 14.954 5.697 ( 4.432 16.540 12.764) 21.358 5.774 ( 5.581 -1.202 11.502) 12.841 5.836 ( 10.638 5.512 9.423) 15.243 6.199 ( 1.231 9.807 6.661) 11.919 6.288 ( 6.757 0.463 4.379) 8.065 6.312 ( 0.465 -16.298 3.387) 16.653 6.533 ( 6.923 -16.150 -1.181) 17.611 6.745 ( -4.717 3.389 5.704) 8.141 6.917 ( 0.088 -8.234 -0.145) 8.236 7.308 ( 2.897 -8.368 19.937) 21.815 7.331 ( 2.643 -8.249 4.965) 9.984 7.818 ( -5.355 1.121 4.388) 7.013 7.866 ( -6.987 -5.070 7.621) 11.515 8.149 ( 11.667 8.576 10.999) 18.183 8.323 ( 12.960 -8.520 11.312) 19.196 8.725 ( 8.181 21.871 28.377) 36.749 8.950 ( -7.822 3.554 10.923) 13.897 8.967 ( 4.179 0.291 27.458) 27.775 9.224 ( 3.118 -15.097 -6.368) 16.679 9.665 ( -4.024 13.126 20.275) 24.486 9.800 ( -7.175 0.409 20.354) 21.586 9.962 ( -0.545 -3.689 20.353) 20.692 10.028 ( -0.148 -6.602 29.159) 29.898 10.505 ( -4.278 26.060 5.079) 26.893 10.758 ( 0.421 7.838 2.586) 8.265 10.848 ( 2.911 3.731 -8.174) 9.445 10.903 ( -13.052 -11.269 6.039) 18.270 11.218 ( -6.799 -1.113 7.606) 10.262 11.361 ( 2.058 -15.939 -1.046) 16.105 11.623 ( -15.623 6.863 10.987) 20.295 11.765 ( -11.332 -3.114 4.041) 12.427 11.790 ( 1.083 -6.764 2.837) 7.414 11.919 ( -6.249 -14.841 8.930) 18.413 12.507 ( 3.593 3.615 2.817) 5.824 12.573 ( -4.645 2.228 5.167) 7.296 13.009 ( -3.330 4.016 0.928) 5.299 13.117 ( -3.185 -4.704 3.523) 6.684 13.243 ( -2.718 6.691 -8.894) 11.457 13.461 ( -2.018 -10.062 -15.095) 18.253 13.686 ( 2.667 10.337 -1.283) 10.752 13.869 ( 3.222 4.159 -4.202) 6.734 14.060 ( 0.671 -7.915 -3.175) 8.555 14.141 ( 1.759 -15.468 -4.665) 16.252 14.988 ( 10.574 20.197 8.322) 24.269 15.246 ( 10.338 -0.539 7.352) 12.697 15.650 ( 5.677 0.869 -1.194) 5.866 15.759 ( 1.875 3.956 -2.320) 4.955 15.946 ( -0.005 6.431 -3.470) 7.307 16.058 ( 0.703 11.710 -5.195) 12.830 16.139 ( -1.136 1.749 -5.211) 5.612 16.393 ( -0.695 -13.528 0.591) 13.558 16.775 ( -3.498 3.141 -11.449) 12.377 16.887 ( -4.556 -3.937 -14.109) 15.340 16.956 ( -3.807 -0.122 -12.283) 12.860 17.129 ( 3.515 -16.808 -4.998) 17.884 17.467 ( 0.257 13.727 0.090) 13.730 17.662 ( 6.596 -4.067 -12.312) 14.548 17.727 ( -4.010 0.987 -5.921) 7.219 17.797 ( 0.762 -4.900 -16.175) 16.918 17.941 ( -4.838 2.935 -14.524) 15.587 18.068 ( -6.202 -10.529 -5.977) 13.603 18.502 ( -10.165 14.354 -2.330) 17.743 18.758 ( -7.152 -10.562 -1.573) 12.853 19.022 ( 7.488 7.179 -5.287) 11.643 19.182 ( 10.573 -7.361 -4.436) 13.626 19.225 ( 4.987 0.292 -10.714) 11.822 19.293 ( 8.960 -3.757 -14.631) 17.564 19.918 ( -10.550 2.769 -9.953) 14.766 19.954 ( -2.781 2.933 -19.582) 19.995 20.171 ( -1.076 3.528 -11.581) 12.154 20.312 ( -2.489 -9.748 -18.619) 21.164 20.616 ( 11.360 5.694 -7.060) 14.537 20.714 ( 6.371 -4.960 -6.118) 10.130 21.145 ( -4.830 11.425 -4.666) 13.253 21.312 ( -2.903 -6.633 -4.525) 8.538 21.653 ( -1.130 0.551 -2.350) 2.665 21.692 ( 0.398 -2.774 -0.346) 2.824 21.877 ( -0.677 7.565 -1.021) 7.663 21.964 ( 2.078 0.078 4.086) 4.584 22.303 ( 3.722 3.118 -15.507) 16.249 22.362 ( 6.540 -2.156 -13.622) 15.264 22.845 ( -1.667 2.770 -15.566) 15.899 22.930 ( -0.873 -6.098 -9.714) 11.503 23.376 ( 8.769 10.455 1.163) 13.694 23.625 ( 6.443 -16.581 -0.739) 17.804 24.316 ( -5.601 4.849 0.262) 7.413 24.397 ( -6.910 -2.879 -3.965) 8.471 24.741 ( 2.659 0.862 3.803) 4.720 24.841 ( 6.949 -7.001 0.288) 9.868 25.274 ( 0.817 26.863 11.610) 29.276 25.667 ( -2.750 -10.406 7.502) 13.120 25.929 ( 2.094 10.923 -3.919) 11.792 26.106 ( 1.540 -5.206 -2.839) 6.127 26.390 ( -1.717 14.792 -3.466) 15.289 26.713 ( -15.189 -13.758 5.951) 21.341 27.054 ( 1.229 -15.416 -7.736) 17.292 27.068 ( -0.778 -13.782 -10.734) 17.486 27.907 ( -14.898 13.175 5.735) 20.698 28.145 ( -15.654 -10.264 2.387) 18.870 29.140 ( 0.751 14.414 5.327) 15.385 29.279 ( 6.393 -0.683 14.387) 15.758 29.484 ( -1.795 0.844 12.598) 12.753 29.606 ( 0.557 -8.454 3.793) 9.283 29.946 ( -1.431 9.401 -0.910) 9.553 30.038 ( -2.075 -0.167 8.146) 8.407 30.088 ( -1.851 -3.805 5.179) 6.688 30.123 ( -1.690 -11.033 10.218) 15.132 30.406 ( 4.228 7.361 2.741) 8.920 30.555 ( 5.516 -8.459 -0.926) 10.141 30.610 ( 2.368 5.332 3.749) 6.935 30.747 ( -0.480 -9.097 2.728) 9.509 31.137 ( 12.963 12.697 9.365) 20.420 31.274 ( 7.705 2.957 8.708) 11.998 31.530 ( 1.869 1.384 -3.441) 4.153 31.635 ( 3.678 -6.207 -2.585) 7.664 32.860 ( -3.519 6.513 21.040) 22.304 32.957 ( -1.250 -3.508 18.563) 18.933 33.112 ( -3.236 14.587 13.539) 20.163 33.351 ( -1.686 -7.127 9.897) 12.312 33.428 ( 3.517 -0.589 10.838) 11.410 33.490 ( 6.607 -5.803 13.465) 16.082 33.928 ( 1.780 6.776 5.459) 8.882 34.059 ( 1.841 -7.315 10.367) 12.821 34.962 ( 3.202 1.626 8.855) 9.556 34.996 ( 4.218 -2.059 7.470) 8.822 35.871 ( -7.308 6.618 -6.215) 11.655 35.978 ( -5.511 -4.964 -7.306) 10.411 36.334 ( 1.301 5.450 0.734) 5.651 36.375 ( 3.141 2.492 -0.914) 4.113 36.748 ( -5.540 5.938 -22.123) 23.566 36.934 ( -5.606 -12.223 -28.816) 31.799 ======================= Grid point 156 (59/84) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 0.571 5.627 5.221) 7.697 2.799 ( -0.781 1.747 2.173) 2.895 2.859 ( 0.035 -1.941 3.971) 4.420 2.878 ( -0.698 -3.783 4.389) 5.836 3.080 ( 2.686 -0.061 3.848) 4.693 3.085 ( 2.411 -0.395 3.214) 4.037 3.151 ( -1.325 2.408 1.699) 3.231 3.201 ( -3.115 -2.470 2.368) 4.627 3.444 ( 4.600 4.012 0.253) 6.109 3.512 ( 3.862 -2.755 -0.138) 4.746 3.606 ( -3.530 4.243 3.193) 6.377 3.676 ( -4.187 -3.201 3.553) 6.356 5.767 ( 6.496 13.897 13.738) 20.593 5.821 ( 9.103 10.639 5.058) 14.887 5.862 ( 2.843 3.778 9.608) 10.708 6.056 ( 7.198 -3.208 10.011) 12.741 6.252 ( 8.805 11.097 8.303) 16.420 6.338 ( 2.712 -12.383 3.400) 13.124 6.429 ( 8.586 4.027 -1.559) 9.611 6.560 ( -7.469 -2.603 2.041) 8.169 6.735 ( 4.625 -13.710 4.128) 15.046 6.846 ( -2.150 -19.764 -0.937) 19.903 7.137 ( -17.729 13.593 14.806) 26.801 7.450 ( -12.466 -17.206 7.243) 22.448 7.802 ( 15.149 4.355 7.964) 17.660 7.880 ( 16.411 -3.464 13.856) 21.756 8.373 ( 2.809 8.461 22.001) 23.739 8.563 ( 1.701 -11.738 31.031) 33.221 8.820 ( 9.851 10.475 2.155) 14.541 8.923 ( 10.660 0.747 16.292) 19.484 9.155 ( 15.966 9.149 10.135) 21.008 9.329 ( 5.587 -5.465 -1.556) 7.968 9.580 ( -2.213 3.269 20.909) 21.279 9.660 ( -9.318 -2.320 17.277) 19.766 9.883 ( -7.756 6.351 12.921) 16.354 10.001 ( -5.274 -5.016 11.168) 13.331 10.424 ( -3.675 16.503 19.219) 25.598 10.639 ( -13.059 -4.405 10.820) 17.522 10.682 ( -9.233 6.310 10.838) 15.573 10.777 ( -9.887 0.099 -0.121) 9.888 11.059 ( -8.275 6.271 8.895) 13.672 11.186 ( -22.222 8.861 9.847) 25.871 11.368 ( -1.703 -24.440 0.666) 24.508 11.513 ( -13.400 -23.173 8.422) 28.062 11.860 ( 13.002 12.969 2.868) 18.587 12.099 ( 16.052 -4.477 1.375) 16.722 12.439 ( -7.822 9.316 -1.187) 12.222 12.635 ( 2.591 -9.492 -4.168) 10.685 12.934 ( -2.465 5.221 4.285) 7.189 13.029 ( -1.762 -6.761 5.377) 8.817 13.182 ( -5.431 0.843 -5.885) 8.052 13.314 ( -11.984 -13.615 -13.159) 22.409 13.774 ( 5.268 20.578 -1.590) 21.301 13.886 ( -0.269 13.054 -2.377) 13.271 14.126 ( 4.328 -13.108 -1.931) 13.939 14.176 ( 1.575 -20.313 -2.362) 20.510 15.241 ( 15.574 20.384 6.504) 26.465 15.494 ( 14.388 2.370 5.955) 15.751 15.727 ( -2.121 15.687 -0.533) 15.839 15.795 ( 6.130 5.180 0.498) 8.041 15.952 ( 0.926 -11.475 4.976) 12.541 16.025 ( -6.224 6.213 -4.460) 9.860 16.140 ( 1.839 -7.048 -7.742) 10.630 16.334 ( -6.217 -16.218 3.699) 17.758 16.756 ( 0.244 11.513 -15.892) 19.625 16.777 ( -4.782 9.585 -14.212) 17.796 16.912 ( -0.442 -3.787 -15.376) 15.842 17.090 ( -6.220 -12.276 -7.250) 15.555 17.540 ( 5.810 8.456 0.680) 10.282 17.620 ( -4.205 0.563 -6.111) 7.440 17.731 ( -3.778 3.946 -9.911) 11.317 17.817 ( 6.485 0.996 -15.510) 16.840 17.907 ( -7.150 -8.713 -12.051) 16.501 18.048 ( 11.808 -14.509 -13.964) 23.344 18.288 ( -12.366 12.050 -7.733) 18.919 18.576 ( -12.070 -16.716 -6.114) 21.506 19.186 ( 8.938 8.552 -1.431) 12.453 19.325 ( 5.064 0.292 -9.881) 11.107 19.365 ( 7.386 -4.606 -6.795) 11.043 19.450 ( 5.735 -5.724 -10.476) 13.244 19.784 ( -2.043 12.066 -8.525) 14.914 19.917 ( -1.448 4.962 -17.393) 18.145 20.124 ( -3.425 -3.790 -10.023) 11.249 20.221 ( -6.083 -8.899 -15.910) 19.218 20.799 ( 6.241 6.467 -12.021) 15.009 20.845 ( 6.600 7.169 -13.266) 16.460 21.071 ( -1.549 2.980 -5.877) 6.769 21.225 ( -5.772 -9.300 -7.838) 13.463 21.666 ( 2.485 2.549 -0.370) 3.580 21.730 ( 3.866 -2.719 1.593) 4.987 21.833 ( -4.026 6.281 -1.760) 7.665 21.941 ( -4.230 -3.176 1.590) 5.524 22.443 ( 10.577 5.324 -10.719) 15.972 22.536 ( 11.307 -3.492 -8.575) 14.614 22.785 ( -5.224 3.757 -12.687) 14.226 22.881 ( -4.926 -5.439 -9.163) 11.739 23.591 ( 13.849 6.813 0.540) 15.443 23.777 ( 9.596 -12.331 -1.879) 15.738 24.145 ( -12.225 -0.161 -2.123) 12.409 24.223 ( -11.416 -6.558 -3.064) 13.517 24.863 ( 10.077 8.855 3.842) 13.954 25.024 ( 12.500 -5.129 -0.962) 13.546 25.254 ( -3.895 20.653 9.086) 22.897 25.556 ( -9.512 -5.659 0.989) 11.112 26.004 ( 4.280 12.442 3.574) 13.634 26.105 ( -1.227 -1.000 -1.983) 2.537 26.294 ( -7.722 0.418 5.740) 9.630 26.451 ( -10.050 -8.819 7.401) 15.283 27.114 ( 6.430 -9.452 -8.998) 14.549 27.138 ( 8.804 -11.815 -13.323) 19.865 27.580 ( -18.290 9.640 0.142) 20.675 27.786 ( -21.528 -10.397 -3.212) 24.122 29.178 ( 3.317 16.100 7.471) 18.056 29.369 ( -6.242 9.582 8.857) 14.465 29.427 ( 7.557 -6.929 15.074) 18.230 29.642 ( 0.159 -14.475 9.517) 17.324 29.968 ( 1.279 5.516 4.377) 7.156 29.990 ( -1.412 -0.657 6.684) 6.863 30.050 ( -1.468 -3.944 6.415) 7.672 30.094 ( -1.491 -5.994 10.136) 11.870 30.505 ( 5.585 7.228 5.492) 10.659 30.614 ( 3.831 -2.872 5.215) 7.080 30.645 ( -0.542 2.826 5.047) 5.810 30.747 ( -0.740 -8.571 1.969) 8.825 31.379 ( 10.966 8.092 -2.107) 13.790 31.426 ( 7.750 7.637 2.154) 11.092 31.568 ( 2.185 0.052 -4.672) 5.158 31.688 ( 0.609 -8.535 -4.209) 9.536 32.832 ( 1.281 9.249 21.723) 23.644 32.981 ( 3.721 -4.781 19.819) 20.725 33.028 ( -5.244 11.329 17.478) 21.479 33.260 ( -7.264 -11.452 17.386) 22.050 33.543 ( 8.960 5.380 11.854) 15.803 33.649 ( 9.983 -6.010 12.871) 17.362 33.904 ( -5.410 6.145 6.019) 10.162 34.028 ( -6.164 -7.183 9.264) 13.244 35.103 ( 12.308 3.703 2.374) 13.070 35.169 ( 14.736 -3.326 -0.359) 15.111 35.674 ( -13.767 7.566 -5.600) 16.677 35.804 ( -13.505 -6.453 -8.151) 17.042 36.378 ( 3.358 7.761 -2.510) 8.821 36.449 ( 4.066 4.361 -5.164) 7.888 36.636 ( -5.024 1.319 -15.029) 15.902 36.799 ( -8.337 -11.777 -20.959) 25.446 ======================= Grid point 157 (60/84) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -1.327 5.310 3.889) 6.714 2.777 ( 1.327 5.310 3.889) 6.714 2.865 ( -0.592 -4.142 3.188) 5.260 2.865 ( 0.592 -4.142 3.188) 5.260 3.121 ( -1.729 0.652 2.186) 2.863 3.121 ( 1.729 0.652 2.186) 2.863 3.142 ( -3.075 -1.218 2.951) 4.433 3.142 ( 3.075 -1.218 2.951) 4.433 3.525 ( -3.955 4.377 2.479) 6.398 3.525 ( 3.955 4.377 2.479) 6.398 3.596 ( -4.098 -3.404 1.394) 5.506 3.596 ( 4.098 -3.404 1.394) 5.506 5.858 ( -2.806 12.478 9.585) 15.982 5.858 ( 2.806 12.478 9.585) 15.982 6.002 ( -8.619 2.244 6.435) 10.988 6.002 ( 8.619 2.244 6.435) 10.988 6.415 ( -5.704 -6.201 6.133) 10.421 6.415 ( 5.704 -6.201 6.133) 10.421 6.519 ( -9.252 -8.032 4.627) 13.096 6.519 ( 9.252 -8.032 4.627) 13.096 6.747 ( -16.226 13.231 3.824) 21.283 6.747 ( 16.226 13.231 3.824) 21.283 7.103 ( -19.702 -19.286 2.575) 27.690 7.103 ( 19.702 -19.286 2.575) 27.690 8.122 ( -10.233 11.697 19.621) 25.030 8.122 ( 10.233 11.697 19.621) 25.030 8.352 ( -13.656 -13.047 24.084) 30.606 8.352 ( 13.656 -13.047 24.084) 30.606 9.142 ( -16.053 10.172 0.363) 19.008 9.142 ( 16.053 10.172 0.363) 19.008 9.282 ( -20.406 -3.983 10.193) 23.155 9.282 ( 20.406 -3.983 10.193) 23.155 9.629 ( -18.695 9.489 15.053) 25.810 9.629 ( 18.695 9.489 15.053) 25.810 9.780 ( -16.132 -6.044 9.669) 19.755 9.780 ( 16.132 -6.044 9.669) 19.755 10.435 ( -6.856 12.923 18.436) 23.535 10.435 ( 6.856 12.923 18.436) 23.535 10.610 ( -5.823 -7.533 13.723) 16.703 10.610 ( 5.823 -7.533 13.723) 16.703 10.975 ( -1.280 11.948 7.031) 13.922 10.975 ( 1.280 11.948 7.031) 13.922 11.367 ( -2.975 -27.320 4.865) 27.909 11.367 ( 2.975 -27.320 4.865) 27.909 12.147 ( -14.123 20.048 -2.136) 24.616 12.147 ( 14.123 20.048 -2.136) 24.616 12.481 ( -14.492 -12.584 0.190) 19.194 12.481 ( 14.492 -12.584 0.190) 19.194 13.038 ( -7.353 -1.582 -4.450) 8.739 13.038 ( 7.353 -1.582 -4.450) 8.739 13.099 ( -6.211 -6.339 -0.450) 8.886 13.099 ( 6.211 -6.339 -0.450) 8.886 13.856 ( -3.177 17.238 -1.928) 17.634 13.856 ( 3.177 17.238 -1.928) 17.634 14.181 ( -1.337 -17.550 -1.648) 17.677 14.181 ( 1.337 -17.550 -1.648) 17.677 15.511 ( -11.858 21.080 4.639) 24.627 15.511 ( 11.858 21.080 4.639) 24.627 15.829 ( -11.825 3.761 -0.204) 12.410 15.829 ( 11.825 3.761 -0.204) 12.410 15.931 ( -4.431 -4.458 3.065) 6.993 15.931 ( 4.431 -4.458 3.065) 6.993 16.200 ( -5.797 -16.127 -0.533) 17.146 16.200 ( 5.797 -16.127 -0.533) 17.146 16.746 ( -0.753 14.486 -15.586) 21.291 16.746 ( 0.753 14.486 -15.586) 21.291 16.969 ( -5.854 -6.949 -12.900) 15.779 16.969 ( 5.854 -6.949 -12.900) 15.779 17.588 ( -0.365 7.640 -7.557) 10.752 17.588 ( 0.365 7.640 -7.557) 10.752 17.746 ( -6.627 -10.981 -5.603) 13.997 17.746 ( 6.627 -10.981 -5.603) 13.997 18.030 ( -12.727 11.651 -14.821) 22.746 18.030 ( 12.727 11.651 -14.821) 22.746 18.326 ( -14.385 -18.423 -10.318) 25.550 18.326 ( 14.385 -18.423 -10.318) 25.550 19.324 ( -5.149 7.002 -4.587) 9.828 19.324 ( 5.149 7.002 -4.587) 9.828 19.465 ( -3.233 -8.246 -6.171) 10.795 19.465 ( 3.233 -8.246 -6.171) 10.795 19.850 ( -6.199 15.520 -14.876) 22.374 19.850 ( 6.199 15.520 -14.876) 22.374 20.118 ( -3.870 -12.405 -12.003) 17.690 20.118 ( 3.870 -12.405 -12.003) 17.690 20.875 ( -2.361 14.959 -14.029) 20.644 20.875 ( 2.361 14.959 -14.029) 20.644 21.120 ( -5.290 -10.493 -8.960) 14.777 21.120 ( 5.290 -10.493 -8.960) 14.777 21.736 ( -4.678 5.406 -0.195) 7.152 21.736 ( 4.678 5.406 -0.195) 7.152 21.838 ( -6.041 -4.228 1.473) 7.519 21.838 ( 6.041 -4.228 1.473) 7.519 22.643 ( -9.925 4.952 -10.086) 14.992 22.643 ( 9.925 4.952 -10.086) 14.992 22.741 ( -9.959 -4.243 -7.547) 13.197 22.741 ( 9.959 -4.243 -7.547) 13.197 23.855 ( -12.201 4.106 -2.140) 13.050 23.855 ( 12.201 4.106 -2.140) 13.050 24.010 ( -9.107 -11.754 -1.840) 14.983 24.010 ( 9.107 -11.754 -1.840) 14.983 25.074 ( -10.859 16.021 4.406) 19.849 25.074 ( 10.859 16.021 4.406) 19.849 25.321 ( -14.588 -7.655 -0.011) 16.474 25.321 ( 14.588 -7.655 -0.011) 16.474 26.052 ( -2.803 12.255 2.349) 12.789 26.052 ( 2.803 12.255 2.349) 12.789 26.299 ( -6.918 -9.383 8.087) 14.189 26.299 ( 6.918 -9.383 8.087) 14.189 27.287 ( -12.643 0.010 -6.234) 14.096 27.287 ( 12.643 0.010 -6.234) 14.096 27.404 ( -18.597 -10.055 -9.016) 22.984 27.404 ( 18.597 -10.055 -9.016) 22.984 29.257 ( -5.222 17.018 8.633) 19.784 29.257 ( 5.222 17.018 8.633) 19.784 29.572 ( -6.878 -16.412 12.956) 22.012 29.572 ( 6.878 -16.412 12.956) 22.012 29.979 ( -1.057 3.502 6.021) 7.045 29.979 ( 1.057 3.502 6.021) 7.045 30.060 ( -2.017 -5.126 8.368) 10.018 30.060 ( 2.017 -5.126 8.368) 10.018 30.597 ( -4.149 5.846 6.420) 9.623 30.597 ( 4.149 5.846 6.420) 9.623 30.698 ( -4.251 -4.689 3.814) 7.389 30.698 ( 4.251 -4.689 3.814) 7.389 31.496 ( -1.670 8.298 -2.997) 8.979 31.496 ( 1.670 8.298 -2.997) 8.979 31.638 ( -5.157 -6.057 -5.115) 9.458 31.638 ( 5.157 -6.057 -5.115) 9.458 32.906 ( -5.971 11.995 21.350) 25.207 32.906 ( 5.971 11.995 21.350) 25.207 33.110 ( -8.196 -9.938 19.728) 23.561 33.110 ( 8.196 -9.938 19.728) 23.561 33.736 ( -10.547 6.015 9.045) 15.140 33.736 ( 10.547 6.015 9.045) 15.140 33.856 ( -10.815 -6.917 11.578) 17.287 33.856 ( 10.815 -6.917 11.578) 17.287 35.384 ( -16.660 6.431 -3.315) 18.163 35.384 ( 16.660 6.431 -3.315) 18.163 35.496 ( -18.714 -5.555 -6.769) 20.661 35.496 ( 18.714 -5.555 -6.769) 20.661 36.450 ( -3.795 11.193 -6.759) 13.615 36.450 ( 3.795 11.193 -6.759) 13.615 36.652 ( -6.519 -10.426 -12.941) 17.851 36.652 ( 6.519 -10.426 -12.941) 17.851 ======================= Grid point 175 (61/84) ======================= q-point: ( 0.00 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( 0.000 0.000 0.130) 0.130 2.793 ( 0.000 0.000 0.202) 0.202 2.900 ( 0.000 0.000 1.140) 1.140 3.006 ( 0.000 0.000 6.502) 6.502 3.008 ( 0.000 0.000 -5.313) 5.313 3.050 ( 0.000 0.000 3.059) 3.059 3.132 ( 0.000 0.000 -2.124) 2.124 3.146 ( 0.000 0.000 -2.144) 2.144 3.462 ( 0.000 0.000 1.628) 1.628 3.463 ( 0.000 0.000 0.362) 0.362 3.626 ( 0.000 0.000 9.920) 9.920 3.884 ( 0.000 0.000 -0.989) 0.989 5.289 ( 0.000 0.000 -2.480) 2.480 5.320 ( 0.000 0.000 -6.522) 6.522 5.783 ( 0.000 0.000 28.017) 28.017 6.083 ( 0.000 0.000 10.846) 10.846 6.227 ( 0.000 0.000 24.450) 24.450 6.488 ( 0.000 0.000 0.986) 0.986 6.685 ( 0.000 0.000 1.709) 1.709 6.744 ( 0.000 0.000 -10.891) 10.891 6.761 ( 0.000 0.000 -8.707) 8.707 7.250 ( 0.000 0.000 -19.381) 19.381 7.631 ( 0.000 0.000 14.578) 14.578 7.712 ( 0.000 0.000 17.435) 17.435 7.997 ( 0.000 0.000 -1.264) 1.264 8.150 ( 0.000 0.000 8.851) 8.851 8.159 ( 0.000 0.000 11.346) 11.346 8.399 ( 0.000 0.000 11.010) 11.010 8.538 ( 0.000 0.000 -21.941) 21.941 8.661 ( 0.000 0.000 5.694) 5.694 9.309 ( 0.000 0.000 4.794) 4.794 9.548 ( 0.000 0.000 -7.017) 7.017 9.759 ( 0.000 0.000 17.142) 17.142 9.798 ( 0.000 0.000 20.834) 20.834 10.248 ( 0.000 0.000 14.670) 14.670 10.579 ( 0.000 0.000 18.683) 18.683 10.679 ( 0.000 0.000 19.642) 19.642 10.944 ( 0.000 0.000 0.178) 0.178 11.069 ( 0.000 0.000 38.383) 38.383 11.075 ( 0.000 0.000 -1.445) 1.445 11.509 ( 0.000 0.000 -10.682) 10.682 11.575 ( 0.000 0.000 11.906) 11.906 11.860 ( 0.000 0.000 1.844) 1.844 12.022 ( 0.000 0.000 12.711) 12.711 12.070 ( 0.000 0.000 -10.659) 10.659 12.261 ( 0.000 0.000 2.720) 2.720 12.334 ( 0.000 0.000 0.999) 0.999 12.522 ( 0.000 0.000 -10.635) 10.635 13.057 ( 0.000 0.000 16.330) 16.330 13.309 ( 0.000 0.000 12.605) 12.605 13.509 ( 0.000 0.000 3.903) 3.903 13.547 ( 0.000 0.000 -1.984) 1.984 13.662 ( 0.000 0.000 -4.489) 4.489 13.754 ( 0.000 0.000 -19.742) 19.742 14.285 ( 0.000 0.000 4.690) 4.690 14.372 ( 0.000 0.000 5.509) 5.509 14.388 ( 0.000 0.000 2.120) 2.120 14.769 ( 0.000 0.000 -11.452) 11.452 14.899 ( 0.000 0.000 -4.019) 4.019 15.250 ( 0.000 0.000 -20.036) 20.036 15.797 ( 0.000 0.000 -5.492) 5.492 15.917 ( 0.000 0.000 -16.496) 16.496 16.110 ( 0.000 0.000 0.782) 0.782 16.149 ( 0.000 0.000 8.038) 8.038 16.697 ( 0.000 0.000 -15.597) 15.597 17.063 ( 0.000 0.000 -1.171) 1.171 17.146 ( 0.000 0.000 -22.487) 22.487 17.273 ( 0.000 0.000 20.441) 20.441 17.436 ( 0.000 0.000 -2.694) 2.694 17.585 ( 0.000 0.000 -17.302) 17.302 17.598 ( 0.000 0.000 -6.963) 6.963 17.617 ( 0.000 0.000 7.115) 7.115 17.700 ( 0.000 0.000 -0.473) 0.473 18.218 ( 0.000 0.000 -20.124) 20.124 18.334 ( 0.000 0.000 0.431) 0.431 18.559 ( 0.000 0.000 -0.636) 0.636 18.941 ( 0.000 0.000 3.129) 3.129 19.079 ( 0.000 0.000 2.290) 2.290 19.198 ( 0.000 0.000 -7.902) 7.902 19.229 ( 0.000 0.000 -16.955) 16.955 19.311 ( 0.000 0.000 -7.913) 7.913 19.869 ( 0.000 0.000 0.158) 0.158 19.889 ( 0.000 0.000 -31.652) 31.652 20.070 ( 0.000 0.000 -6.274) 6.274 20.743 ( 0.000 0.000 5.817) 5.817 20.743 ( 0.000 0.000 10.507) 10.507 20.981 ( 0.000 0.000 -3.896) 3.896 21.190 ( 0.000 0.000 -10.614) 10.614 21.405 ( 0.000 0.000 3.388) 3.388 21.804 ( 0.000 0.000 -2.688) 2.688 21.825 ( 0.000 0.000 7.408) 7.408 21.875 ( 0.000 0.000 -16.502) 16.502 21.952 ( 0.000 0.000 -12.056) 12.056 22.099 ( 0.000 0.000 16.711) 16.711 22.396 ( 0.000 0.000 -20.981) 20.981 22.753 ( 0.000 0.000 -16.320) 16.320 23.428 ( 0.000 0.000 13.577) 13.577 23.971 ( 0.000 0.000 -15.356) 15.356 24.273 ( 0.000 0.000 7.935) 7.935 24.497 ( 0.000 0.000 -5.199) 5.199 24.800 ( 0.000 0.000 22.405) 22.405 24.858 ( 0.000 0.000 2.077) 2.077 24.949 ( 0.000 0.000 -2.826) 2.826 25.558 ( 0.000 0.000 -13.466) 13.466 25.637 ( 0.000 0.000 0.940) 0.940 25.821 ( 0.000 0.000 -10.498) 10.498 26.238 ( 0.000 0.000 23.690) 23.690 27.201 ( 0.000 0.000 -22.101) 22.101 27.625 ( 0.000 0.000 7.123) 7.123 27.889 ( 0.000 0.000 4.225) 4.225 27.988 ( 0.000 0.000 0.034) 0.034 28.027 ( 0.000 0.000 -9.015) 9.015 29.140 ( 0.000 0.000 10.614) 10.614 29.218 ( 0.000 0.000 3.377) 3.377 29.569 ( 0.000 0.000 3.370) 3.370 29.617 ( 0.000 0.000 4.327) 4.327 29.704 ( 0.000 0.000 -0.688) 0.688 30.000 ( 0.000 0.000 -11.286) 11.286 30.324 ( 0.000 0.000 2.249) 2.249 30.359 ( 0.000 0.000 10.309) 10.309 30.425 ( 0.000 0.000 0.084) 0.084 30.551 ( 0.000 0.000 1.144) 1.144 30.839 ( 0.000 0.000 7.740) 7.740 30.970 ( 0.000 0.000 13.249) 13.249 31.122 ( 0.000 0.000 -5.652) 5.652 31.290 ( 0.000 0.000 14.945) 14.945 31.357 ( 0.000 0.000 -4.426) 4.426 31.693 ( 0.000 0.000 -2.071) 2.071 33.000 ( 0.000 0.000 18.278) 18.278 33.178 ( 0.000 0.000 16.642) 16.642 33.344 ( 0.000 0.000 9.783) 9.783 33.395 ( 0.000 0.000 3.558) 3.558 33.425 ( 0.000 0.000 1.280) 1.280 33.641 ( 0.000 0.000 -9.581) 9.581 34.186 ( 0.000 0.000 21.174) 21.174 34.479 ( 0.000 0.000 9.365) 9.365 35.164 ( 0.000 0.000 13.294) 13.294 35.281 ( 0.000 0.000 15.749) 15.749 35.639 ( 0.000 0.000 -9.465) 9.465 35.901 ( 0.000 0.000 -12.383) 12.383 36.164 ( 0.000 0.000 1.483) 1.483 36.245 ( 0.000 0.000 -0.445) 0.445 36.454 ( 0.000 0.000 -13.097) 13.097 36.645 ( 0.000 0.000 -25.298) 25.298 ======================= Grid point 176 (62/84) ======================= q-point: ( 0.17 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -1.490 0.000 2.790) 3.163 2.800 ( -0.351 0.000 0.395) 0.528 2.909 ( 0.962 0.000 1.151) 1.500 3.006 ( -0.298 0.000 -3.416) 3.429 3.043 ( 3.658 0.000 4.853) 6.077 3.052 ( 0.299 0.000 1.112) 1.151 3.125 ( -0.687 0.000 -2.322) 2.422 3.166 ( 1.895 0.000 -2.291) 2.973 3.438 ( -0.569 0.000 2.793) 2.851 3.507 ( 2.873 0.000 -0.518) 2.920 3.611 ( -1.572 0.000 9.141) 9.275 3.848 ( -3.630 0.000 -0.921) 3.745 5.337 ( 5.182 0.000 -2.309) 5.673 5.383 ( 6.831 0.000 -6.379) 9.346 5.845 ( 6.456 0.000 25.929) 26.721 6.114 ( -9.312 0.000 15.161) 17.792 6.165 ( 7.536 0.000 10.416) 12.856 6.491 ( -5.888 0.000 -5.262) 7.897 6.713 ( 1.629 0.000 -5.248) 5.495 6.756 ( 8.216 0.000 8.750) 12.003 6.945 ( 13.981 0.000 -12.493) 18.749 7.058 ( -9.385 0.000 -4.685) 10.489 7.696 ( -1.593 0.000 15.146) 15.229 7.805 ( 6.333 0.000 10.461) 12.229 8.121 ( 9.637 0.000 -0.250) 9.641 8.186 ( 3.626 0.000 7.643) 8.460 8.258 ( 10.634 0.000 17.602) 20.565 8.479 ( 13.448 0.000 5.993) 14.723 8.576 ( 3.944 0.000 -19.193) 19.594 8.650 ( 2.116 0.000 4.577) 5.042 9.249 ( -29.668 0.000 18.165) 34.788 9.395 ( 8.059 0.000 5.909) 9.993 9.608 ( 5.659 0.000 -5.509) 7.898 9.964 ( -4.525 0.000 -6.190) 7.668 10.178 ( -10.484 0.000 31.335) 33.042 10.548 ( -14.061 0.000 15.821) 21.167 10.606 ( 3.111 0.000 6.335) 7.057 10.754 ( -19.496 0.000 13.752) 23.859 10.897 ( -2.520 0.000 10.839) 11.128 11.285 ( 6.213 0.000 19.637) 20.596 11.549 ( -1.898 0.000 17.077) 17.183 11.631 ( 11.994 0.000 -10.329) 15.829 11.719 ( -11.074 0.000 1.399) 11.162 11.833 ( -16.230 0.000 19.019) 25.003 11.992 ( -4.772 0.000 -3.313) 5.810 12.286 ( 0.002 0.000 2.993) 2.993 12.514 ( 15.932 0.000 -4.439) 16.539 12.544 ( -0.259 0.000 -12.387) 12.390 12.904 ( -13.997 0.000 16.532) 21.662 13.293 ( -1.408 0.000 13.706) 13.779 13.501 ( -0.615 0.000 3.217) 3.275 13.507 ( -3.875 0.000 1.533) 4.167 13.623 ( -9.044 0.000 -16.681) 18.975 13.655 ( -4.229 0.000 -8.173) 9.202 14.373 ( 7.855 0.000 0.303) 7.861 14.415 ( 2.833 0.000 -0.968) 2.994 14.499 ( 11.549 0.000 5.388) 12.744 14.837 ( 5.551 0.000 -8.804) 10.408 14.951 ( 6.257 0.000 -0.836) 6.313 15.334 ( 8.050 0.000 -20.783) 22.288 15.817 ( 2.320 0.000 -2.239) 3.224 16.007 ( 9.065 0.000 -15.930) 18.329 16.157 ( 5.397 0.000 2.315) 5.872 16.210 ( 6.027 0.000 3.378) 6.909 16.722 ( 2.209 0.000 -13.483) 13.663 16.781 ( -20.096 0.000 -3.014) 20.321 17.123 ( -3.253 0.000 -15.781) 16.113 17.178 ( -13.352 0.000 6.258) 14.746 17.325 ( -9.940 0.000 -6.263) 11.749 17.458 ( -9.522 0.000 2.224) 9.778 17.583 ( -3.762 0.000 -1.872) 4.202 17.782 ( 1.856 0.000 -6.792) 7.041 17.824 ( 20.616 0.000 -4.030) 21.006 18.268 ( -4.407 0.000 4.092) 6.014 18.333 ( 11.503 0.000 -20.791) 23.761 18.577 ( -0.140 0.000 6.594) 6.595 18.947 ( -5.938 0.000 -12.574) 13.905 18.975 ( 3.148 0.000 2.299) 3.898 19.221 ( -1.095 0.000 -16.437) 16.474 19.278 ( -0.924 0.000 -9.570) 9.614 19.433 ( 14.304 0.000 -2.152) 14.465 19.799 ( -7.537 0.000 0.006) 7.537 19.934 ( 5.193 0.000 -26.984) 27.479 19.947 ( -10.454 0.000 -4.225) 11.276 20.626 ( -10.929 0.000 5.251) 12.125 20.866 ( 10.855 0.000 6.987) 12.909 20.879 ( -10.101 0.000 -6.043) 11.771 21.206 ( 1.451 0.000 -8.392) 8.517 21.515 ( 9.928 0.000 3.864) 10.653 21.785 ( -1.366 0.000 -1.422) 1.972 21.836 ( 1.374 0.000 7.012) 7.146 21.915 ( -2.674 0.000 -3.985) 4.799 21.941 ( 6.261 0.000 -14.474) 15.770 22.203 ( 8.999 0.000 6.088) 10.865 22.410 ( 0.961 0.000 -21.029) 21.051 22.731 ( -2.352 0.000 -15.155) 15.336 23.523 ( 9.729 0.000 11.984) 15.436 23.998 ( 2.517 0.000 -13.186) 13.424 24.292 ( 1.700 0.000 6.488) 6.707 24.445 ( -4.527 0.000 -0.703) 4.581 24.828 ( 2.345 0.000 13.757) 13.956 24.861 ( 0.316 0.000 1.575) 1.606 24.935 ( -1.409 0.000 -2.218) 2.628 25.314 ( -14.847 0.000 -8.584) 17.149 25.777 ( 11.240 0.000 2.404) 11.494 26.076 ( 19.415 0.000 -10.842) 22.237 26.186 ( -4.645 0.000 21.775) 22.265 27.021 ( -18.424 0.000 -15.887) 24.328 27.605 ( -1.486 0.000 3.600) 3.894 27.674 ( -19.288 0.000 7.783) 20.799 27.924 ( -9.466 0.000 -3.997) 10.275 27.952 ( -7.413 0.000 -8.658) 11.398 28.945 ( -9.128 0.000 6.383) 11.138 29.164 ( -12.691 0.000 -4.646) 13.515 29.663 ( 5.076 0.000 4.636) 6.875 29.709 ( 15.957 0.000 11.697) 19.785 29.762 ( 5.376 0.000 -0.326) 5.386 30.082 ( 3.897 0.000 -4.503) 5.955 30.331 ( 2.533 0.000 7.153) 7.588 30.395 ( 3.622 0.000 9.509) 10.175 30.561 ( 0.646 0.000 1.749) 1.865 30.645 ( 20.119 0.000 -9.032) 22.053 30.772 ( -4.586 0.000 7.611) 8.886 31.034 ( -7.426 0.000 -3.961) 8.416 31.098 ( 10.193 0.000 8.301) 13.146 31.177 ( -10.337 0.000 17.834) 20.613 31.409 ( 3.935 0.000 -4.353) 5.868 31.715 ( 0.347 0.000 -6.771) 6.780 32.997 ( 0.322 0.000 20.416) 20.418 33.172 ( -0.653 0.000 18.258) 18.270 33.336 ( 3.236 0.000 12.842) 13.243 33.439 ( 4.014 0.000 3.587) 5.383 33.597 ( 13.209 0.000 1.411) 13.285 33.669 ( 2.786 0.000 -10.199) 10.573 34.144 ( -4.146 0.000 20.968) 21.374 34.466 ( -1.649 0.000 7.451) 7.631 35.147 ( -1.336 0.000 11.838) 11.913 35.248 ( -2.635 0.000 13.560) 13.814 35.572 ( -6.848 0.000 -8.443) 10.871 35.845 ( -6.488 0.000 -14.483) 15.870 36.177 ( 1.238 0.000 1.170) 1.703 36.243 ( -0.220 0.000 -0.331) 0.397 36.447 ( 0.049 0.000 -11.405) 11.405 36.641 ( -0.755 0.000 -22.938) 22.950 ======================= Grid point 177 (63/84) ======================= q-point: ( 0.33 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -0.153 0.000 4.803) 4.805 2.778 ( -1.811 0.000 2.399) 3.006 2.933 ( 1.603 0.000 1.085) 1.936 2.992 ( -1.210 0.000 -0.297) 1.246 3.064 ( 0.967 0.000 -2.061) 2.277 3.108 ( -1.166 0.000 -2.731) 2.969 3.119 ( 4.037 0.000 2.758) 4.889 3.196 ( 0.684 0.000 -1.367) 1.529 3.450 ( 2.014 0.000 3.780) 4.283 3.562 ( -0.183 0.000 -0.120) 0.219 3.579 ( 1.351 0.000 5.889) 6.042 3.762 ( -5.416 0.000 -0.797) 5.475 5.474 ( 9.213 0.000 -1.276) 9.301 5.567 ( 12.315 0.000 -7.031) 14.181 5.930 ( -9.726 0.000 6.628) 11.770 6.004 ( 10.049 0.000 20.447) 22.783 6.252 ( -17.322 0.000 -10.272) 20.138 6.265 ( 0.660 0.000 8.281) 8.307 6.839 ( 12.514 0.000 2.481) 12.757 6.891 ( 5.565 0.000 10.877) 12.218 7.021 ( 1.688 0.000 4.817) 5.104 7.176 ( 6.733 0.000 -13.144) 14.768 7.687 ( 3.472 0.000 17.728) 18.065 7.837 ( 1.515 0.000 10.587) 10.695 8.130 ( -7.774 0.000 1.344) 7.889 8.199 ( -7.436 0.000 14.976) 16.720 8.504 ( 10.586 0.000 7.202) 12.803 8.719 ( 17.123 0.000 -0.676) 17.136 8.816 ( -13.380 0.000 3.214) 13.760 8.878 ( 24.017 0.000 6.742) 24.945 8.956 ( 30.863 0.000 -0.019) 30.863 9.551 ( 7.323 0.000 7.369) 10.389 9.713 ( 4.473 0.000 -2.462) 5.106 9.800 ( -25.549 0.000 23.046) 34.407 9.866 ( -3.047 0.000 -15.091) 15.396 10.188 ( -22.957 0.000 10.992) 25.453 10.332 ( -26.398 0.000 7.425) 27.422 10.434 ( -20.726 0.000 -9.037) 22.611 11.018 ( 12.908 0.000 28.718) 31.485 11.273 ( -3.871 0.000 16.021) 16.482 11.430 ( -10.634 0.000 11.418) 15.603 11.532 ( -15.101 0.000 30.163) 33.732 11.679 ( 5.900 0.000 11.969) 13.344 11.899 ( -5.213 0.000 5.442) 7.536 11.917 ( 17.521 0.000 -10.742) 20.552 12.309 ( 3.244 0.000 8.609) 9.200 12.463 ( -8.639 0.000 -14.060) 16.502 12.633 ( -13.753 0.000 16.087) 21.164 12.818 ( 16.316 0.000 -10.638) 19.477 13.281 ( 0.806 0.000 15.823) 15.844 13.381 ( -14.251 0.000 -18.006) 22.963 13.421 ( -5.107 0.000 9.078) 10.416 13.505 ( 0.992 0.000 -0.833) 1.295 13.602 ( -3.119 0.000 -3.931) 5.018 14.476 ( 3.657 0.000 -6.376) 7.350 14.501 ( 4.163 0.000 -8.925) 9.848 14.719 ( 10.866 0.000 4.228) 11.660 14.910 ( 1.337 0.000 -3.463) 3.713 15.151 ( 14.790 0.000 2.834) 15.059 15.481 ( 4.965 0.000 -18.422) 19.079 15.883 ( 5.458 0.000 3.889) 6.702 16.207 ( 9.085 0.000 -12.019) 15.066 16.304 ( 9.585 0.000 0.626) 9.606 16.346 ( 7.792 0.000 -4.038) 8.776 16.438 ( -13.552 0.000 -6.824) 15.173 16.750 ( 0.310 0.000 -5.534) 5.543 16.877 ( -17.531 0.000 -9.331) 19.860 16.985 ( -11.409 0.000 4.110) 12.127 17.179 ( -4.467 0.000 -1.107) 4.602 17.384 ( 2.726 0.000 -14.559) 14.812 17.405 ( -12.423 0.000 -0.947) 12.459 17.713 ( -8.715 0.000 -17.533) 19.579 18.244 ( 22.336 0.000 -2.898) 22.523 18.253 ( 3.200 0.000 10.855) 11.317 18.503 ( -7.181 0.000 13.936) 15.677 18.554 ( 9.462 0.000 -13.396) 16.401 18.936 ( 4.185 0.000 -22.565) 22.949 19.032 ( 2.460 0.000 -1.534) 2.899 19.172 ( -4.687 0.000 -15.431) 16.127 19.200 ( -6.764 0.000 -17.816) 19.057 19.634 ( -7.298 0.000 0.869) 7.350 19.724 ( 16.256 0.000 1.208) 16.301 19.757 ( -9.582 0.000 -4.881) 10.753 20.071 ( 7.506 0.000 -17.129) 18.702 20.403 ( -10.915 0.000 2.794) 11.267 20.652 ( -13.416 0.000 -8.868) 16.082 21.068 ( 9.750 0.000 2.723) 10.123 21.229 ( 0.434 0.000 -4.304) 4.326 21.699 ( 8.659 0.000 4.660) 9.833 21.775 ( 0.509 0.000 0.583) 0.774 21.854 ( -0.158 0.000 6.936) 6.938 21.862 ( -3.120 0.000 -0.310) 3.135 22.097 ( 10.273 0.000 -13.966) 17.337 22.383 ( 9.793 0.000 -2.216) 10.041 22.398 ( -3.051 0.000 -19.762) 19.996 22.665 ( -4.927 0.000 -12.246) 13.200 23.749 ( 13.384 0.000 7.530) 15.357 24.032 ( -0.036 0.000 -7.078) 7.079 24.321 ( 1.109 0.000 3.619) 3.786 24.368 ( -3.147 0.000 2.028) 3.744 24.870 ( 0.567 0.000 0.272) 0.629 24.874 ( 2.811 0.000 4.015) 4.901 24.906 ( -1.462 0.000 -1.100) 1.830 25.082 ( -9.898 0.000 -5.144) 11.155 26.054 ( 17.991 0.000 8.445) 19.874 26.124 ( -0.140 0.000 16.040) 16.040 26.409 ( 13.222 0.000 -5.662) 14.383 26.605 ( -23.710 0.000 -4.188) 24.077 27.302 ( -16.298 0.000 5.751) 17.283 27.595 ( 0.927 0.000 -1.997) 2.202 27.640 ( -19.713 0.000 -8.396) 21.426 27.791 ( -8.937 0.000 -7.812) 11.870 28.846 ( -2.110 0.000 2.810) 3.514 28.953 ( -8.450 0.000 -2.858) 8.920 29.786 ( 7.153 0.000 4.055) 8.222 29.861 ( 4.163 0.000 0.600) 4.206 29.971 ( 10.108 0.000 6.798) 12.182 30.112 ( -0.135 0.000 -0.730) 0.743 30.446 ( 10.236 0.000 14.671) 17.889 30.477 ( 4.673 0.000 7.920) 9.196 30.564 ( -0.376 0.000 3.928) 3.945 30.702 ( -2.144 0.000 4.938) 5.383 30.877 ( -8.733 0.000 -2.677) 9.134 30.925 ( -9.338 0.000 8.396) 12.557 31.080 ( 17.891 0.000 -1.752) 17.977 31.293 ( 9.586 0.000 3.189) 10.103 31.459 ( 0.836 0.000 -3.226) 3.333 31.650 ( -7.897 0.000 -12.340) 14.650 33.027 ( 2.763 0.000 22.995) 23.160 33.146 ( -2.381 0.000 20.295) 20.434 33.473 ( 10.695 0.000 17.963) 20.906 33.536 ( 6.587 0.000 2.111) 6.917 33.711 ( 0.474 0.000 -7.735) 7.749 33.793 ( 3.336 0.000 9.964) 10.507 34.091 ( 2.163 0.000 14.039) 14.205 34.400 ( -6.096 0.000 5.146) 7.978 35.144 ( 1.855 0.000 6.951) 7.194 35.243 ( 3.753 0.000 4.853) 6.135 35.409 ( -10.003 0.000 -5.521) 11.426 35.657 ( -13.165 0.000 -14.946) 19.918 36.202 ( 1.300 0.000 0.706) 1.479 36.236 ( -0.538 0.000 -0.043) 0.539 36.476 ( 2.990 0.000 -10.297) 10.723 36.609 ( -2.790 0.000 -18.084) 18.298 ======================= Grid point 178 (64/84) ======================= q-point: (-0.50 0.00 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -1.453 0.000 4.336) 4.573 2.745 ( 1.453 0.000 4.336) 4.573 2.964 ( -1.694 0.000 0.789) 1.869 2.964 ( 1.694 0.000 0.789) 1.869 3.085 ( -1.238 0.000 -2.933) 3.183 3.085 ( 1.238 0.000 -2.933) 3.183 3.180 ( -2.303 0.000 0.940) 2.487 3.180 ( 2.303 0.000 0.940) 2.487 3.506 ( -3.568 0.000 4.116) 5.447 3.506 ( 3.568 0.000 4.116) 5.447 3.660 ( -5.275 0.000 -0.475) 5.296 3.660 ( 5.275 0.000 -0.475) 5.296 5.652 ( -8.070 0.000 -0.476) 8.084 5.652 ( 8.070 0.000 -0.476) 8.084 5.933 ( -14.650 0.000 -6.929) 16.206 5.933 ( 14.650 0.000 -6.929) 16.206 6.183 ( -8.251 0.000 12.913) 15.324 6.183 ( 8.251 0.000 12.913) 15.324 6.991 ( -4.755 0.000 9.667) 10.773 6.991 ( 4.755 0.000 9.667) 10.773 7.102 ( -12.522 0.000 -1.547) 12.617 7.102 ( 12.522 0.000 -1.547) 12.617 7.906 ( -18.187 0.000 19.724) 26.829 7.906 ( 18.187 0.000 19.724) 26.829 7.947 ( -9.762 0.000 4.277) 10.658 7.947 ( 9.763 0.000 4.277) 10.658 8.655 ( -8.006 0.000 -10.204) 12.970 8.655 ( 8.006 0.000 -10.204) 12.970 9.229 ( -32.608 0.000 19.936) 38.220 9.229 ( 32.608 0.000 19.936) 38.220 9.304 ( -10.769 0.000 5.845) 12.253 9.304 ( 10.769 0.000 5.845) 12.253 9.690 ( -12.848 0.000 2.115) 13.021 9.690 ( 12.848 0.000 2.115) 13.021 9.912 ( -6.001 0.000 6.967) 9.195 9.912 ( 6.001 0.000 6.967) 9.195 10.031 ( -18.592 0.000 -14.480) 23.566 10.031 ( 18.592 0.000 -14.480) 23.566 11.268 ( -13.761 0.000 32.113) 34.937 11.268 ( 13.761 0.000 32.113) 34.937 11.272 ( -4.864 0.000 11.190) 12.202 11.272 ( 4.864 0.000 11.190) 12.202 11.797 ( -6.019 0.000 12.322) 13.713 11.797 ( 6.019 0.000 12.322) 13.713 12.234 ( -15.632 0.000 -12.439) 19.977 12.234 ( 15.632 0.000 -12.439) 19.977 12.421 ( -8.901 0.000 13.518) 16.185 12.421 ( 8.901 0.000 13.518) 16.185 13.109 ( -15.163 0.000 -15.449) 21.647 13.109 ( 15.163 0.000 -15.449) 21.647 13.330 ( -4.276 0.000 14.729) 15.337 13.330 ( 4.276 0.000 14.729) 15.337 13.543 ( -2.915 0.000 -2.616) 3.917 13.543 ( 2.915 0.000 -2.616) 3.917 14.525 ( -1.140 0.000 -10.514) 10.576 14.525 ( 1.140 0.000 -10.514) 10.576 14.872 ( -5.365 0.000 1.293) 5.519 14.872 ( 5.365 0.000 1.293) 5.519 15.420 ( -11.389 0.000 -4.094) 12.102 15.420 ( 11.389 0.000 -4.094) 12.102 16.064 ( -13.761 0.000 -0.807) 13.785 16.064 ( 13.761 0.000 -0.807) 13.785 16.432 ( -1.250 0.000 -7.340) 7.445 16.432 ( 1.250 0.000 -7.340) 7.445 16.559 ( -16.198 0.000 -13.220) 20.908 16.559 ( 16.198 0.000 -13.220) 20.908 16.788 ( -6.834 0.000 7.723) 10.313 16.788 ( 6.834 0.000 7.723) 10.313 17.205 ( -7.315 0.000 -2.725) 7.806 17.205 ( 7.315 0.000 -2.725) 7.806 17.521 ( -10.427 0.000 -19.579) 22.182 17.521 ( 10.427 0.000 -19.579) 22.182 18.359 ( -7.482 0.000 12.528) 14.593 18.359 ( 7.482 0.000 12.528) 14.593 18.569 ( -9.921 0.000 -4.596) 10.934 18.569 ( 9.921 0.000 -4.596) 10.934 19.057 ( -7.949 0.000 -21.742) 23.149 19.057 ( 7.949 0.000 -21.742) 23.149 19.076 ( -3.673 0.000 -9.676) 10.349 19.076 ( 3.673 0.000 -9.676) 10.349 19.613 ( -4.774 0.000 -3.203) 5.749 19.613 ( 4.774 0.000 -3.203) 5.749 20.009 ( -13.438 0.000 -0.084) 13.438 20.009 ( 13.438 0.000 -0.084) 13.438 20.414 ( -11.049 0.000 -9.809) 14.775 20.414 ( 11.049 0.000 -9.809) 14.775 21.199 ( -4.147 0.000 -0.827) 4.228 21.199 ( 4.147 0.000 -0.827) 4.228 21.806 ( -2.668 0.000 1.208) 2.928 21.806 ( 2.668 0.000 1.208) 2.928 21.817 ( -4.062 0.000 5.972) 7.222 21.817 ( 4.062 0.000 5.972) 7.222 22.285 ( -8.951 0.000 -16.518) 18.787 22.285 ( 8.951 0.000 -16.518) 18.787 22.548 ( -7.735 0.000 -8.064) 11.174 22.548 ( 7.735 0.000 -8.064) 11.174 23.960 ( -8.134 0.000 0.826) 8.176 23.960 ( 8.134 0.000 0.826) 8.176 24.334 ( -0.778 0.000 2.227) 2.359 24.334 ( 0.778 0.000 2.227) 2.359 24.884 ( -1.017 0.000 -0.591) 1.177 24.884 ( 1.017 0.000 -0.591) 1.177 24.945 ( -5.259 0.000 -1.282) 5.413 24.945 ( 5.259 0.000 -1.282) 5.413 26.242 ( -13.629 0.000 6.919) 15.285 26.242 ( 13.629 0.000 6.919) 15.285 26.388 ( -14.880 0.000 8.661) 17.217 26.388 ( 14.880 0.000 8.661) 17.217 27.287 ( -14.552 0.000 -7.771) 16.497 27.287 ( 14.552 0.000 -7.771) 16.497 27.653 ( -5.479 0.000 -5.854) 8.018 27.653 ( 5.479 0.000 -5.854) 8.018 28.853 ( -2.748 0.000 0.077) 2.749 28.853 ( 2.748 0.000 0.077) 2.749 29.882 ( -2.297 0.000 2.327) 3.270 29.882 ( 2.297 0.000 2.327) 3.270 30.084 ( -3.145 0.000 1.627) 3.541 30.084 ( 3.145 0.000 1.627) 3.541 30.542 ( -2.200 0.000 6.516) 6.877 30.542 ( 2.200 0.000 6.516) 6.877 30.682 ( -13.993 0.000 18.213) 22.967 30.682 ( 13.993 0.000 18.213) 22.967 30.735 ( -5.769 0.000 0.490) 5.790 30.735 ( 5.769 0.000 0.490) 5.790 31.425 ( -16.133 0.000 -12.703) 20.534 31.425 ( 16.133 0.000 -12.703) 20.534 31.426 ( -4.563 0.000 -0.809) 4.635 31.426 ( 4.563 0.000 -0.809) 4.635 33.088 ( -3.555 0.000 22.192) 22.475 33.088 ( 3.555 0.000 22.192) 22.475 33.660 ( -5.673 0.000 -2.026) 6.024 33.660 ( 5.673 0.000 -2.026) 6.024 33.686 ( -10.970 0.000 19.667) 22.520 33.686 ( 10.970 0.000 19.667) 22.520 34.241 ( -10.304 0.000 5.899) 11.873 34.241 ( 10.304 0.000 5.899) 11.873 35.235 ( -7.866 0.000 -0.127) 7.867 35.235 ( 7.866 0.000 -0.127) 7.867 35.404 ( -12.730 0.000 -7.896) 14.980 35.404 ( 12.730 0.000 -7.896) 14.980 36.223 ( -0.927 0.000 0.318) 0.980 36.223 ( 0.927 0.000 0.318) 0.980 36.544 ( -3.937 0.000 -13.153) 13.729 36.544 ( 3.937 0.000 -13.153) 13.729 ======================= Grid point 182 (65/84) ======================= q-point: ( 0.00 0.20 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( 0.000 1.171 1.114) 1.616 2.804 ( 0.000 2.226 -0.146) 2.231 2.947 ( 0.000 3.688 1.362) 3.931 2.979 ( 0.000 -0.728 2.819) 2.912 3.056 ( 0.000 0.984 2.871) 3.035 3.065 ( 0.000 4.032 0.309) 4.044 3.131 ( 0.000 0.763 -0.997) 1.255 3.163 ( 0.000 2.066 -2.198) 3.017 3.437 ( 0.000 -2.717 1.709) 3.209 3.440 ( 0.000 -2.487 0.235) 2.498 3.681 ( 0.000 5.196 8.063) 9.592 3.878 ( 0.000 -0.732 0.331) 0.803 5.405 ( 0.000 9.213 -4.525) 10.264 5.423 ( 0.000 14.437 -3.068) 14.759 5.833 ( 0.000 5.552 24.107) 24.738 6.061 ( 0.000 -3.277 12.650) 13.067 6.273 ( 0.000 3.094 14.312) 14.643 6.455 ( 0.000 -2.937 2.005) 3.556 6.618 ( 0.000 -6.895 4.217) 8.082 6.642 ( 0.000 -12.399 -7.114) 14.295 6.738 ( 0.000 1.116 -4.557) 4.692 7.206 ( 0.000 -8.629 -7.061) 11.150 7.432 ( 0.000 -15.743 9.359) 18.315 7.601 ( 0.000 -6.072 -7.152) 9.382 7.958 ( 0.000 0.240 8.140) 8.143 8.099 ( 0.000 -11.119 3.418) 11.632 8.222 ( 0.000 0.743 8.264) 8.297 8.259 ( 0.000 4.250 7.535) 8.651 8.822 ( 0.000 15.498 11.263) 19.158 8.961 ( 0.000 23.388 -6.352) 24.235 9.259 ( 0.000 -2.540 4.052) 4.782 9.331 ( 0.000 -16.147 6.263) 17.319 9.931 ( 0.000 15.134 4.411) 15.764 9.950 ( 0.000 13.978 20.477) 24.793 10.324 ( 0.000 7.785 8.823) 11.766 10.482 ( 0.000 -11.292 11.721) 16.276 10.692 ( 0.000 0.507 21.333) 21.339 10.750 ( 0.000 -5.931 10.562) 12.113 11.031 ( 0.000 -4.615 35.141) 35.442 11.197 ( 0.000 1.795 -6.648) 6.886 11.388 ( 0.000 -7.462 -7.546) 10.612 11.594 ( 0.000 -4.640 10.696) 11.659 11.898 ( 0.000 -2.917 7.742) 8.273 11.949 ( 0.000 -9.855 2.352) 10.132 12.158 ( 0.000 1.755 11.441) 11.575 12.204 ( 0.000 -2.995 -6.031) 6.734 12.309 ( 0.000 18.866 -6.848) 20.070 12.681 ( 0.000 6.322 -8.812) 10.845 12.890 ( 0.000 -9.194 14.708) 17.345 13.282 ( 0.000 -3.652 5.226) 6.376 13.410 ( 0.000 -7.187 0.645) 7.216 13.431 ( 0.000 -22.047 2.987) 22.248 13.680 ( 0.000 7.604 0.347) 7.612 13.695 ( 0.000 -3.689 -12.208) 12.753 14.067 ( 0.000 -8.105 -1.975) 8.342 14.224 ( 0.000 -13.124 -8.333) 15.546 14.697 ( 0.000 12.918 5.946) 14.221 14.920 ( 0.000 27.462 1.151) 27.486 15.317 ( 0.000 28.513 -6.255) 29.191 15.404 ( 0.000 16.047 -14.111) 21.368 15.830 ( 0.000 1.639 -1.564) 2.266 15.950 ( 0.000 -3.879 -5.225) 6.508 16.035 ( 0.000 -0.700 -10.678) 10.701 16.070 ( 0.000 -5.161 1.962) 5.522 16.652 ( 0.000 -4.569 -13.946) 14.676 17.049 ( 0.000 -8.927 -15.628) 17.998 17.102 ( 0.000 2.666 -0.696) 2.756 17.245 ( 0.000 -17.476 -4.204) 17.975 17.300 ( 0.000 -0.468 16.426) 16.433 17.394 ( 0.000 -17.891 -9.300) 20.164 17.601 ( 0.000 3.650 -19.250) 19.593 17.708 ( 0.000 7.131 5.189) 8.820 17.717 ( 0.000 1.325 -2.895) 3.184 18.277 ( 0.000 0.534 -10.196) 10.210 18.409 ( 0.000 8.077 -0.991) 8.137 18.516 ( 0.000 -0.409 -7.066) 7.078 18.963 ( 0.000 0.158 2.688) 2.692 19.041 ( 0.000 -4.628 -0.891) 4.713 19.135 ( 0.000 -3.822 -3.630) 5.271 19.171 ( 0.000 -5.602 -3.010) 6.359 19.375 ( 0.000 7.061 -18.899) 20.174 19.770 ( 0.000 -9.571 -29.975) 31.466 19.976 ( 0.000 7.724 -1.706) 7.911 20.100 ( 0.000 2.052 -4.595) 5.033 20.565 ( 0.000 -7.518 4.806) 8.923 20.776 ( 0.000 -13.752 -4.810) 14.569 20.998 ( 0.000 14.922 7.419) 16.665 21.327 ( 0.000 1.929 -0.081) 1.931 21.471 ( 0.000 12.521 -8.128) 14.928 21.685 ( 0.000 -6.939 -7.896) 10.512 21.770 ( 0.000 -4.402 4.741) 6.469 21.968 ( 0.000 4.047 -10.599) 11.346 22.035 ( 0.000 6.460 -7.055) 9.566 22.119 ( 0.000 1.449 15.454) 15.522 22.418 ( 0.000 3.338 -19.696) 19.976 22.765 ( 0.000 0.159 -16.066) 16.066 23.361 ( 0.000 -5.254 11.289) 12.452 23.791 ( 0.000 -15.590 -10.350) 18.713 24.325 ( 0.000 4.261 6.185) 7.511 24.462 ( 0.000 -3.798 -2.783) 4.708 24.849 ( 0.000 -0.630 1.654) 1.770 24.888 ( 0.000 -4.993 -0.110) 4.995 25.041 ( 0.000 22.775 16.963) 28.398 25.690 ( 0.000 12.667 -9.981) 16.126 25.704 ( 0.000 6.441 0.017) 6.441 25.871 ( 0.000 5.903 -11.017) 12.499 26.254 ( 0.000 0.724 19.240) 19.254 27.070 ( 0.000 -11.895 -19.048) 22.457 27.381 ( 0.000 -22.942 6.045) 23.725 27.586 ( 0.000 -36.260 -1.968) 36.313 27.986 ( 0.000 10.106 6.011) 11.759 28.186 ( 0.000 16.085 -4.050) 16.587 29.208 ( 0.000 -1.248 9.538) 9.620 29.363 ( 0.000 12.192 12.897) 17.748 29.619 ( 0.000 0.391 3.414) 3.436 29.653 ( 0.000 8.660 -9.057) 12.531 29.697 ( 0.000 0.311 0.143) 0.343 29.992 ( 0.000 -0.981 -10.810) 10.854 30.274 ( 0.000 -4.422 3.793) 5.826 30.385 ( 0.000 2.622 9.592) 9.944 30.386 ( 0.000 -4.650 -1.872) 5.013 30.583 ( 0.000 2.955 1.007) 3.122 30.701 ( 0.000 -13.937 10.313) 17.338 30.955 ( 0.000 -7.769 1.162) 7.855 31.136 ( 0.000 8.525 1.916) 8.738 31.143 ( 0.000 -0.006 10.286) 10.286 31.554 ( 0.000 7.054 0.897) 7.110 31.670 ( 0.000 -3.718 0.727) 3.789 33.107 ( 0.000 10.671 16.221) 19.416 33.204 ( 0.000 2.329 14.636) 14.820 33.315 ( 0.000 -2.084 7.742) 8.018 33.419 ( 0.000 -0.682 2.141) 2.247 33.444 ( 0.000 4.465 7.000) 8.302 33.714 ( 0.000 7.832 -7.087) 10.562 34.098 ( 0.000 -9.164 20.130) 22.118 34.402 ( 0.000 -8.177 7.788) 11.292 35.170 ( 0.000 0.638 13.509) 13.524 35.252 ( 0.000 -2.519 15.109) 15.317 35.687 ( 0.000 4.423 -9.720) 10.679 35.883 ( 0.000 -1.800 -12.704) 12.831 36.202 ( 0.000 3.988 -0.088) 3.989 36.280 ( 0.000 3.489 -0.441) 3.517 36.455 ( 0.000 -0.145 -12.116) 12.116 36.596 ( 0.000 -5.128 -23.525) 24.077 ======================= Grid point 183 (66/84) ======================= q-point: ( 0.17 0.20 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -1.217 2.866 2.497) 3.991 2.813 ( -0.122 1.192 0.450) 1.280 2.932 ( -0.562 1.710 2.223) 2.861 2.994 ( -0.029 -0.913 0.337) 0.974 3.063 ( 1.666 1.737 2.484) 3.458 3.083 ( 1.412 3.056 0.889) 3.482 3.124 ( -0.459 0.627 -0.694) 1.042 3.188 ( 1.936 2.434 -2.632) 4.075 3.419 ( 0.054 -2.002 2.777) 3.423 3.485 ( 3.056 -2.365 -0.575) 3.907 3.662 ( -2.092 4.758 7.464) 9.095 3.844 ( -3.609 -0.666 0.210) 3.676 5.452 ( 5.253 11.019 -2.827) 12.530 5.489 ( 6.754 12.835 -4.329) 15.136 5.877 ( 4.183 3.766 21.122) 21.859 6.139 ( 5.483 -0.241 15.685) 16.618 6.208 ( -3.412 5.657 8.739) 10.955 6.447 ( -1.110 -4.430 -2.094) 5.024 6.629 ( 1.897 -8.893 0.224) 9.096 6.758 ( 0.356 -1.005 1.013) 1.471 6.803 ( 12.429 -12.547 -7.022) 19.006 7.002 ( -7.237 -7.750 -2.393) 10.870 7.562 ( 3.182 -10.051 6.813) 12.552 7.752 ( 6.906 -1.527 4.940) 8.627 7.979 ( 6.132 -12.249 8.960) 16.369 8.111 ( 2.675 -16.369 -0.991) 16.616 8.296 ( 6.812 8.976 4.260) 12.047 8.337 ( 11.526 4.748 12.180) 17.428 8.867 ( 6.939 19.168 9.144) 22.342 9.013 ( 1.515 18.554 -0.624) 18.626 9.133 ( -11.359 -4.080 3.789) 12.651 9.275 ( -2.033 -12.419 4.423) 13.339 9.776 ( -2.320 16.524 2.164) 16.826 10.083 ( -3.352 8.506 3.925) 9.949 10.214 ( -11.445 5.748 17.821) 21.945 10.493 ( 1.252 -8.186 14.117) 16.367 10.587 ( -9.627 1.556 17.627) 20.145 10.733 ( -5.692 0.646 7.630) 9.541 10.886 ( -11.264 -0.747 10.796) 15.620 11.229 ( 3.639 -9.155 15.257) 18.161 11.409 ( -0.894 -4.500 0.541) 4.620 11.596 ( -1.827 -10.343 2.714) 10.848 11.822 ( 1.122 8.198 12.160) 14.708 11.886 ( -15.434 4.718 13.506) 21.044 12.021 ( -3.243 -17.955 3.350) 18.550 12.216 ( -2.828 16.763 -2.445) 17.175 12.412 ( 10.252 -9.501 -6.245) 15.309 12.681 ( -4.621 -1.167 -0.595) 4.803 12.779 ( -6.182 2.441 5.390) 8.558 13.284 ( -0.053 -3.363 5.595) 6.528 13.383 ( -4.436 -11.449 -3.090) 12.661 13.433 ( 0.165 -14.204 1.774) 14.315 13.573 ( -8.097 0.083 -5.105) 9.572 13.679 ( -1.607 7.759 -1.758) 8.116 14.149 ( 7.898 -10.969 -1.562) 13.606 14.305 ( 6.148 -13.160 -8.619) 16.890 14.780 ( 8.332 14.975 5.538) 18.009 14.986 ( 6.950 26.060 -0.454) 26.975 15.337 ( 1.874 26.828 -3.546) 27.126 15.484 ( 7.526 15.728 -14.577) 22.726 15.850 ( 2.528 1.474 -0.268) 2.938 16.016 ( 6.791 -6.602 -4.134) 10.334 16.081 ( 4.016 -2.463 -3.712) 5.997 16.131 ( 6.846 -3.252 -7.098) 10.384 16.675 ( 1.721 -4.508 -11.757) 12.709 16.767 ( -18.513 -2.641 -3.812) 19.085 17.034 ( -9.888 -9.331 -0.260) 13.598 17.187 ( -5.326 -1.578 -14.193) 15.242 17.320 ( -3.193 -3.227 -3.351) 5.642 17.490 ( -1.060 0.157 1.740) 2.044 17.558 ( -4.233 -0.326 -2.334) 4.844 17.698 ( 6.323 -6.892 -9.763) 13.520 17.734 ( 3.870 -4.379 -3.129) 6.629 18.174 ( -8.704 -2.638 -9.057) 12.836 18.447 ( -0.160 -0.740 8.033) 8.069 18.598 ( 8.557 8.004 -7.631) 13.983 18.914 ( -0.837 -2.290 -7.387) 7.779 19.011 ( -2.005 -2.656 -9.076) 9.667 19.147 ( -1.271 -2.509 -3.545) 4.525 19.308 ( 11.407 -4.855 0.071) 12.398 19.390 ( 1.428 6.371 -15.977) 17.260 19.744 ( -3.133 -9.122 -17.094) 19.627 19.953 ( -2.087 9.534 -2.744) 10.138 20.088 ( 0.686 4.746 -10.509) 11.551 20.550 ( -4.039 -4.773 2.595) 6.770 20.736 ( -4.928 -10.248 -6.010) 12.862 20.979 ( 1.320 9.076 6.558) 11.275 21.309 ( -3.679 4.019 -5.503) 7.744 21.522 ( 6.612 3.838 -1.153) 7.732 21.704 ( 0.939 -3.683 -4.446) 5.849 21.785 ( 1.556 -4.402 3.472) 5.818 21.986 ( 0.406 1.924 -9.086) 9.297 22.035 ( 3.380 8.791 0.173) 9.420 22.225 ( 9.052 1.728 4.404) 10.213 22.433 ( 1.062 3.453 -18.751) 19.096 22.751 ( -1.589 0.918 -14.948) 15.060 23.450 ( 9.117 -5.766 9.776) 14.558 23.829 ( 3.695 -14.569 -9.192) 17.618 24.320 ( -0.952 1.311 4.252) 4.550 24.404 ( -5.603 -4.462 -1.441) 7.306 24.855 ( 0.566 -1.008 2.106) 2.403 24.894 ( 1.010 -1.172 0.474) 1.619 25.051 ( 1.048 20.859 12.192) 24.183 25.474 ( -11.377 15.140 -7.258) 20.282 25.850 ( 10.238 6.336 1.153) 12.095 26.051 ( 7.669 1.197 -2.506) 8.157 26.254 ( 5.110 3.501 10.600) 12.277 26.922 ( -15.763 -8.331 -12.535) 21.795 27.331 ( -3.325 -25.513 2.222) 25.825 27.526 ( -6.789 -33.163 -1.733) 33.895 27.806 ( -16.663 9.905 5.634) 20.186 28.062 ( -13.430 10.454 -5.630) 17.926 29.072 ( -6.510 8.630 7.329) 13.061 29.368 ( -13.700 17.073 -6.023) 22.704 29.619 ( 10.012 -4.311 11.004) 15.489 29.708 ( 9.371 -0.196 4.648) 10.463 29.779 ( 7.285 2.007 0.298) 7.562 30.071 ( 2.790 -1.394 -4.934) 5.837 30.276 ( 1.212 -4.805 6.460) 8.142 30.423 ( 3.848 2.956 8.514) 9.799 30.577 ( 15.116 -9.461 -9.579) 20.243 30.597 ( 0.904 1.723 1.180) 2.276 30.663 ( -2.273 -10.102 10.267) 14.582 30.916 ( -4.182 -8.239 -0.244) 9.243 31.138 ( -0.542 6.969 6.720) 9.697 31.189 ( 5.637 5.323 7.765) 10.973 31.525 ( -1.163 5.321 -0.025) 5.446 31.705 ( 1.270 -2.366 -3.996) 4.815 33.084 ( -0.768 8.015 18.885) 20.529 33.222 ( 0.659 5.778 17.093) 18.055 33.313 ( 2.836 -2.066 11.938) 12.443 33.475 ( 5.041 2.952 4.733) 7.519 33.593 ( 12.120 -0.102 2.693) 12.416 33.727 ( 1.438 6.422 -7.928) 10.304 34.064 ( -3.252 -8.198 19.536) 21.435 34.387 ( -1.748 -8.296 6.055) 10.418 35.153 ( -1.371 0.558 11.948) 12.039 35.223 ( -2.137 -2.070 12.888) 13.227 35.618 ( -7.091 4.295 -8.978) 12.220 35.826 ( -6.575 -2.008 -14.375) 15.934 36.213 ( 1.133 3.794 -0.120) 3.961 36.281 ( -0.007 3.813 -0.751) 3.886 36.442 ( -0.455 -0.719 -10.664) 10.698 36.597 ( -0.356 -4.615 -20.987) 21.491 ======================= Grid point 184 (67/84) ======================= q-point: ( 0.33 0.20 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( -0.187 3.407 4.126) 5.354 2.799 ( -1.263 2.159 2.178) 3.317 2.934 ( 0.734 -0.186 1.610) 1.779 2.978 ( -1.270 -1.484 0.332) 1.981 3.091 ( 0.942 2.550 -0.695) 2.806 3.108 ( 0.068 0.429 -0.824) 0.931 3.134 ( 2.556 1.429 2.098) 3.603 3.208 ( -0.138 1.102 -1.440) 1.819 3.450 ( 3.287 0.142 3.244) 4.620 3.552 ( 4.015 -1.677 -1.742) 4.687 3.608 ( -3.375 3.430 6.414) 8.018 3.755 ( -5.589 -0.747 -0.071) 5.639 5.584 ( 8.435 11.855 -0.851) 14.574 5.665 ( 11.426 10.606 -5.200) 16.435 5.917 ( -2.267 1.649 11.279) 11.622 6.122 ( -1.494 8.440 6.325) 10.652 6.235 ( -1.004 5.070 8.714) 10.131 6.412 ( -2.609 7.377 -2.419) 8.191 6.689 ( 4.907 -12.551 -0.357) 13.481 6.758 ( 5.048 -12.459 7.734) 15.509 6.958 ( 0.544 -8.368 2.784) 8.835 7.109 ( 17.181 -13.566 -5.338) 22.533 7.452 ( -12.762 -9.711 13.172) 20.753 7.801 ( -10.604 -15.570 5.897) 19.740 7.972 ( 8.194 -0.474 10.315) 13.182 8.301 ( 0.285 3.662 4.963) 6.174 8.519 ( 24.489 -6.348 13.305) 28.584 8.644 ( 13.992 6.369 6.749) 16.789 8.875 ( -4.099 8.271 -5.110) 10.551 9.079 ( 14.305 15.047 8.422) 22.405 9.201 ( 15.808 12.829 -3.378) 20.637 9.308 ( 4.877 -18.210 8.947) 20.867 9.743 ( -7.168 5.974 4.210) 10.237 9.897 ( -12.270 6.133 10.891) 17.515 9.985 ( -9.530 8.831 -2.160) 13.171 10.234 ( -20.489 3.156 10.638) 23.300 10.374 ( -20.047 6.447 2.759) 21.238 10.490 ( -18.598 6.486 -6.810) 20.841 10.881 ( 10.058 -9.510 23.708) 27.453 11.260 ( -1.206 -12.765 18.515) 22.521 11.317 ( -7.560 1.401 14.771) 16.652 11.507 ( -11.929 -7.554 6.720) 15.637 11.708 ( 4.436 3.729 17.001) 17.962 11.923 ( 3.662 11.293 6.726) 13.645 11.945 ( -1.291 -15.284 7.432) 17.045 12.170 ( -3.332 -4.180 5.395) 7.595 12.502 ( -2.754 -10.924 8.391) 14.048 12.601 ( -0.695 2.017 -11.353) 11.552 12.764 ( 5.846 4.543 -6.170) 9.638 13.202 ( -11.732 -14.058 -16.343) 24.543 13.298 ( -0.081 -1.965 11.664) 11.829 13.398 ( -4.502 -9.306 5.407) 11.667 13.515 ( 2.383 6.883 2.093) 7.579 13.644 ( -2.440 8.387 -1.352) 8.839 14.300 ( 7.171 -12.660 -3.588) 14.986 14.390 ( 2.530 -13.173 -7.956) 15.596 14.962 ( 10.131 18.963 2.284) 21.621 15.130 ( 5.462 23.974 -5.586) 25.215 15.399 ( 6.537 20.688 3.953) 22.053 15.618 ( 4.591 14.410 -12.397) 19.555 15.924 ( 5.451 2.666 1.959) 6.377 16.150 ( 3.781 -8.532 -2.538) 9.671 16.195 ( 10.097 -10.241 -1.905) 14.507 16.296 ( 9.712 -0.132 -13.856) 16.921 16.450 ( -13.582 0.412 -3.426) 14.013 16.673 ( -4.888 -6.920 -5.393) 10.043 16.828 ( -8.563 -5.795 2.961) 10.755 17.007 ( -12.697 1.111 -13.041) 18.235 17.321 ( 0.369 12.274 -2.237) 12.481 17.354 ( -3.688 -0.177 -8.432) 9.205 17.458 ( -6.719 1.779 -7.741) 10.404 17.700 ( -3.061 -4.449 -12.704) 13.805 17.954 ( 6.172 -12.341 -2.544) 14.031 18.075 ( 3.033 -20.318 -5.600) 21.293 18.387 ( -2.563 -8.824 11.314) 14.575 18.702 ( -3.570 2.125 -1.683) 4.482 18.937 ( 4.805 -5.307 -13.983) 15.710 19.058 ( 9.060 6.204 -19.803) 22.644 19.135 ( -0.696 5.960 -3.403) 6.898 19.361 ( -2.708 8.204 -15.892) 18.089 19.500 ( 4.949 -5.285 1.183) 7.336 19.648 ( -6.471 -3.749 -3.019) 8.065 19.956 ( 4.788 10.437 -2.643) 11.783 20.175 ( 8.223 -0.200 -13.288) 15.628 20.391 ( -11.734 6.471 0.280) 13.403 20.590 ( -10.224 -3.432 -8.676) 13.841 21.070 ( 6.582 -1.183 2.237) 7.052 21.238 ( -3.359 -1.874 -4.595) 5.992 21.640 ( 4.588 -1.419 0.762) 4.863 21.707 ( -0.450 -2.666 -0.569) 2.763 21.830 ( 3.610 -1.458 3.274) 5.087 21.965 ( -2.150 1.484 -0.949) 2.779 22.173 ( 9.690 8.638 -5.441) 14.075 22.405 ( 7.679 2.140 -7.089) 10.668 22.434 ( 0.367 4.356 -11.703) 12.493 22.698 ( -4.339 2.365 -12.269) 13.227 23.664 ( 12.855 -6.696 5.877) 15.641 23.902 ( 3.034 -10.808 -5.974) 12.717 24.266 ( -5.169 -9.149 1.363) 10.596 24.293 ( -5.105 -5.510 -0.303) 7.517 24.879 ( 2.378 1.799 3.753) 4.794 24.930 ( 2.152 8.041 1.992) 8.559 25.083 ( 2.740 16.814 3.842) 17.464 25.298 ( -8.006 17.796 -5.685) 20.325 26.038 ( -2.428 -4.007 9.249) 10.368 26.073 ( 10.969 0.826 4.187) 11.770 26.486 ( 8.564 1.424 0.709) 8.710 26.603 ( -9.531 3.563 1.420) 10.274 27.254 ( -8.021 -17.815 -2.462) 19.692 27.370 ( -4.652 -16.739 2.542) 17.559 27.517 ( -11.958 -10.799 -5.591) 17.055 27.723 ( -21.176 2.734 -8.344) 22.924 29.007 ( -0.855 14.134 4.271) 14.790 29.143 ( -9.053 17.122 -2.159) 19.488 29.790 ( 8.601 -0.684 6.516) 10.812 29.895 ( 6.155 3.053 0.067) 6.870 29.919 ( 7.777 -5.009 6.533) 11.325 30.080 ( -1.188 -3.262 -1.095) 3.640 30.327 ( 4.166 -9.154 10.357) 14.436 30.499 ( 1.310 -0.930 9.888) 10.018 30.551 ( -1.828 -9.248 4.634) 10.504 30.656 ( 2.799 0.891 2.679) 3.976 30.763 ( -1.735 -5.774 0.872) 6.092 30.864 ( -0.740 -5.785 -3.527) 6.815 31.181 ( 8.625 9.885 2.953) 13.447 31.316 ( 6.470 3.591 2.160) 7.708 31.524 ( 0.506 3.915 -2.077) 4.460 31.670 ( -5.232 0.109 -8.374) 9.875 33.102 ( 2.441 7.351 22.395) 23.696 33.210 ( -1.911 7.090 19.571) 20.903 33.435 ( 9.484 -3.343 16.348) 19.194 33.585 ( 6.711 3.758 4.595) 8.959 33.734 ( -0.853 0.945 1.062) 1.657 33.783 ( 3.418 0.991 3.510) 4.999 34.031 ( 2.951 -6.007 12.244) 13.954 34.323 ( -5.703 -7.974 4.105) 10.628 35.152 ( 2.330 0.881 6.531) 6.990 35.227 ( 3.992 -1.413 4.326) 6.053 35.447 ( -10.586 3.631 -6.467) 12.925 35.639 ( -12.959 -1.919 -14.456) 19.509 36.237 ( 1.337 3.671 -0.278) 3.917 36.276 ( -0.597 4.063 -1.044) 4.237 36.461 ( 2.406 -1.760 -9.271) 9.739 36.573 ( -2.308 -3.801 -16.261) 16.858 ======================= Grid point 185 (68/84) ======================= q-point: (-0.50 0.20 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -1.075 3.146 3.844) 5.082 2.775 ( 1.075 3.146 3.844) 5.082 2.954 ( -1.268 -1.337 0.851) 2.029 2.954 ( 1.268 -1.337 0.851) 2.029 3.102 ( -0.435 1.955 -1.230) 2.350 3.102 ( 0.435 1.955 -1.230) 2.350 3.184 ( -2.278 0.185 0.874) 2.447 3.184 ( 2.278 0.185 0.874) 2.447 3.526 ( -4.444 2.076 3.270) 5.894 3.526 ( 4.444 2.076 3.270) 5.894 3.650 ( -5.537 -1.173 -0.068) 5.660 3.650 ( 5.537 -1.173 -0.068) 5.660 5.739 ( -6.919 9.608 0.707) 11.861 5.739 ( 6.919 9.608 0.707) 11.861 5.964 ( -11.719 4.594 -1.605) 12.689 5.964 ( 11.719 4.594 -1.605) 12.689 6.318 ( -7.204 12.165 5.436) 15.147 6.318 ( 7.204 12.165 5.436) 15.147 6.779 ( -4.197 -15.406 3.011) 16.249 6.779 ( 4.197 -15.406 3.011) 16.249 7.125 ( -15.947 -6.391 10.576) 20.174 7.125 ( 15.947 -6.391 10.576) 20.174 7.489 ( -18.643 -23.297 3.839) 30.084 7.489 ( 18.643 -23.297 3.839) 30.084 8.178 ( -10.452 10.944 11.137) 18.789 8.178 ( 10.452 10.944 11.137) 18.789 8.765 ( -5.521 3.792 -9.310) 11.469 8.765 ( 5.521 3.792 -9.310) 11.469 9.108 ( -26.393 -4.196 22.174) 34.726 9.108 ( 26.393 -4.196 22.174) 34.726 9.437 ( -11.750 7.491 5.498) 14.980 9.437 ( 11.750 7.491 5.498) 14.980 9.687 ( -13.394 0.573 1.086) 13.450 9.687 ( 13.394 0.573 1.086) 13.450 9.904 ( -8.708 1.796 3.844) 9.687 9.904 ( 8.708 1.796 3.844) 9.687 10.196 ( -7.152 14.569 -9.432) 18.772 10.196 ( 7.152 14.569 -9.432) 18.772 11.097 ( -12.019 -9.415 24.384) 28.769 11.097 ( 12.019 -9.415 24.384) 28.769 11.323 ( -6.083 -2.745 14.470) 15.935 11.323 ( 6.083 -2.745 14.470) 15.935 11.836 ( -6.524 4.044 10.599) 13.087 11.836 ( 6.524 4.044 10.599) 13.087 12.069 ( -7.166 -14.104 8.341) 17.884 12.069 ( 7.166 -14.104 8.341) 17.884 12.522 ( -4.791 6.126 -1.034) 7.845 12.522 ( 4.791 6.126 -1.034) 7.845 12.965 ( -12.959 -10.576 -14.948) 22.433 12.965 ( 12.959 -10.576 -14.948) 22.433 13.325 ( -2.880 -4.094 11.428) 12.476 13.325 ( 2.880 -4.094 11.428) 12.476 13.583 ( -3.990 8.045 -0.500) 8.994 13.583 ( 3.990 8.045 -0.500) 8.994 14.391 ( -2.494 -12.803 -6.231) 14.456 14.391 ( 2.494 -12.803 -6.231) 14.456 15.117 ( -5.720 22.130 -2.832) 23.032 15.117 ( 5.720 22.130 -2.832) 23.032 15.575 ( -8.917 15.310 -0.619) 17.728 15.575 ( 8.917 15.310 -0.619) 17.728 16.071 ( -9.940 -1.235 -1.844) 10.185 16.071 ( 9.940 -1.235 -1.844) 10.185 16.342 ( -3.042 -6.804 -7.005) 10.228 16.342 ( 3.042 -6.804 -7.005) 10.228 16.483 ( -11.791 -6.302 -4.581) 14.133 16.483 ( 11.791 -6.302 -4.581) 14.133 16.813 ( -6.337 0.714 -2.623) 6.896 16.813 ( 6.337 0.714 -2.623) 6.896 17.295 ( -3.441 7.159 -3.979) 8.884 17.295 ( 3.441 7.159 -3.979) 8.884 17.544 ( -10.980 2.972 -18.858) 22.023 17.544 ( 10.980 2.972 -18.858) 22.023 18.057 ( -6.309 -21.678 3.314) 22.819 18.057 ( 6.309 -21.678 3.314) 22.819 18.508 ( -12.903 -12.018 -2.136) 17.762 18.508 ( 12.903 -12.018 -2.136) 17.762 19.075 ( -6.449 6.098 -9.181) 12.770 19.075 ( 6.449 6.098 -9.181) 12.770 19.247 ( -9.431 10.100 -16.144) 21.251 19.247 ( 9.431 10.100 -16.144) 21.251 19.550 ( -3.346 -2.341 -0.486) 4.112 19.550 ( 3.346 -2.341 -0.486) 4.112 20.136 ( -12.537 2.876 0.527) 12.873 20.136 ( 12.537 2.876 0.527) 12.874 20.384 ( -11.257 4.427 -12.087) 17.100 20.384 ( 11.257 4.427 -12.087) 17.100 21.173 ( -4.259 -4.741 -1.790) 6.619 21.173 ( 4.259 -4.741 -1.790) 6.619 21.690 ( -1.487 -2.721 0.844) 3.213 21.690 ( 1.487 -2.721 0.844) 3.213 21.907 ( -4.015 0.607 2.480) 4.758 21.907 ( 4.015 0.607 2.480) 4.758 22.340 ( -7.338 6.567 -10.677) 14.525 22.340 ( 7.338 6.567 -10.677) 14.525 22.584 ( -8.010 2.877 -8.346) 11.920 22.584 ( 8.010 2.877 -8.346) 11.920 23.871 ( -7.637 -6.686 0.183) 10.152 23.871 ( 7.637 -6.686 0.183) 10.152 24.219 ( -1.802 -11.987 -0.139) 12.123 24.219 ( 1.802 -11.987 -0.139) 12.123 24.932 ( -2.243 9.267 4.216) 10.425 24.932 ( 2.243 9.267 4.216) 10.425 25.166 ( -6.156 16.050 -2.934) 17.439 25.166 ( 6.156 16.050 -2.934) 17.439 26.076 ( -6.525 -8.831 3.182) 11.432 26.076 ( 6.525 -8.831 3.182) 11.432 26.563 ( -9.584 9.720 13.689) 19.331 26.563 ( 9.584 9.720 13.689) 19.331 27.264 ( -12.332 -5.145 -8.215) 15.686 27.264 ( 12.332 -5.145 -8.215) 15.686 27.430 ( -6.754 -17.074 -7.181) 19.715 27.430 ( 6.754 -17.074 -7.181) 19.715 29.031 ( -3.454 16.582 1.549) 17.009 29.031 ( 3.454 16.582 1.549) 17.009 29.913 ( -3.646 2.142 3.606) 5.558 29.913 ( 3.646 2.142 3.606) 5.558 30.032 ( -4.186 -5.379 1.492) 6.978 30.032 ( 4.186 -5.379 1.492) 6.978 30.418 ( -5.426 -13.355 11.041) 18.157 30.418 ( 5.426 -13.355 11.041) 18.157 30.629 ( -5.599 0.606 3.421) 6.589 30.629 ( 5.599 0.606 3.421) 6.589 30.787 ( -5.690 0.319 3.473) 6.674 30.787 ( 5.691 0.319 3.473) 6.674 31.357 ( -4.763 1.497 -3.460) 6.074 31.357 ( 4.763 1.497 -3.460) 6.074 31.554 ( -4.557 4.519 -5.120) 8.210 31.554 ( 4.557 4.519 -5.120) 8.210 33.159 ( -3.303 7.367 21.817) 23.263 33.159 ( 3.303 7.367 21.817) 23.263 33.616 ( -8.162 -4.459 13.761) 16.609 33.616 ( 8.162 -4.459 13.761) 16.609 33.734 ( -5.466 4.738 4.592) 8.568 33.734 ( 5.466 4.738 4.592) 8.568 34.176 ( -9.509 -6.741 5.352) 12.826 34.176 ( 9.509 -6.741 5.352) 12.826 35.257 ( -8.611 2.201 -1.247) 8.975 35.257 ( 8.611 2.201 -1.247) 8.975 35.390 ( -12.429 -1.444 -7.668) 14.675 35.390 ( 12.429 -1.444 -7.668) 14.675 36.260 ( -1.069 3.856 -0.672) 4.058 36.260 ( 1.069 3.856 -0.672) 4.058 36.518 ( -3.373 -2.826 -11.694) 12.495 36.518 ( 3.373 -2.826 -11.694) 12.495 ======================= Grid point 189 (69/84) ======================= q-point: ( 0.00 0.40 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 0.000 0.792 1.853) 2.015 2.827 ( 0.000 0.427 0.973) 1.062 2.978 ( 0.000 0.355 3.628) 3.645 2.982 ( 0.000 0.300 2.817) 2.833 3.086 ( 0.000 1.547 2.104) 2.612 3.100 ( 0.000 0.011 1.569) 1.569 3.207 ( 0.000 6.046 -0.863) 6.107 3.228 ( 0.000 4.242 -2.258) 4.806 3.370 ( 0.000 -4.040 1.900) 4.465 3.376 ( 0.000 -4.103 0.476) 4.131 3.780 ( 0.000 4.984 5.416) 7.360 3.850 ( 0.000 -2.615 2.978) 3.963 5.638 ( 0.000 15.531 0.951) 15.560 5.778 ( 0.000 22.061 -2.959) 22.259 5.921 ( 0.000 -11.711 8.891) 14.704 5.979 ( 0.000 9.067 14.718) 17.286 6.234 ( 0.000 -8.513 1.000) 8.572 6.271 ( 0.000 -19.972 -6.168) 20.903 6.471 ( 0.000 -1.130 5.204) 5.325 6.497 ( 0.000 -4.051 8.379) 9.307 6.846 ( 0.000 9.370 5.824) 11.032 7.011 ( 0.000 -9.798 -0.070) 9.799 7.255 ( 0.000 0.096 3.203) 3.204 7.428 ( 0.000 -13.685 -2.239) 13.867 8.004 ( 0.000 0.220 3.064) 3.072 8.028 ( 0.000 2.385 -1.446) 2.789 8.192 ( 0.000 0.649 9.383) 9.405 8.271 ( 0.000 -3.499 6.439) 7.329 9.055 ( 0.000 5.901 15.701) 16.773 9.120 ( 0.000 -1.958 0.640) 2.060 9.195 ( 0.000 4.806 4.534) 6.607 9.299 ( 0.000 -0.176 5.199) 5.202 10.204 ( 0.000 10.982 17.890) 20.991 10.209 ( 0.000 11.431 4.455) 12.268 10.376 ( 0.000 3.802 12.724) 13.280 10.461 ( 0.000 2.103 5.832) 6.200 10.716 ( 0.000 6.113 20.732) 21.615 10.737 ( 0.000 2.785 8.426) 8.874 10.896 ( 0.000 -8.611 17.446) 19.455 11.049 ( 0.000 -18.756 0.562) 18.765 11.319 ( 0.000 0.282 1.101) 1.137 11.391 ( 0.000 -8.301 2.201) 8.588 11.800 ( 0.000 -4.026 -0.796) 4.104 11.832 ( 0.000 -5.861 4.230) 7.228 12.157 ( 0.000 1.645 16.665) 16.746 12.197 ( 0.000 -1.212 10.632) 10.701 12.685 ( 0.000 4.637 6.879) 8.296 12.724 ( 0.000 15.652 -2.277) 15.817 12.963 ( 0.000 9.895 -7.398) 12.355 13.067 ( 0.000 -11.023 3.036) 11.433 13.165 ( 0.000 -8.885 -10.763) 13.956 13.230 ( 0.000 -13.051 -6.180) 14.440 13.682 ( 0.000 3.025 2.212) 3.748 13.757 ( 0.000 -1.034 1.779) 2.058 13.976 ( 0.000 -3.225 -5.433) 6.319 13.984 ( 0.000 -7.601 -7.210) 10.477 15.066 ( 0.000 22.828 9.610) 24.768 15.307 ( 0.000 12.339 4.117) 13.008 15.503 ( 0.000 -7.877 -1.281) 7.980 15.703 ( 0.000 -16.668 -3.395) 17.011 15.823 ( 0.000 23.500 -1.727) 23.564 16.019 ( 0.000 22.335 -4.536) 22.791 16.051 ( 0.000 -1.561 -5.223) 5.452 16.147 ( 0.000 6.348 -15.090) 16.371 16.552 ( 0.000 -4.295 -11.868) 12.622 16.775 ( 0.000 -24.958 -1.847) 25.027 16.933 ( 0.000 -6.681 -14.102) 15.604 16.988 ( 0.000 -12.601 -7.393) 14.609 17.237 ( 0.000 2.177 -6.217) 6.587 17.287 ( 0.000 -2.130 0.612) 2.216 17.676 ( 0.000 3.856 -15.486) 15.959 17.724 ( 0.000 -1.101 -8.467) 8.538 17.889 ( 0.000 12.614 9.835) 15.995 18.133 ( 0.000 -12.979 6.768) 14.638 18.594 ( 0.000 10.579 -8.777) 13.746 18.622 ( 0.000 8.053 -18.153) 19.859 18.873 ( 0.000 -7.613 0.964) 7.674 18.888 ( 0.000 -9.995 0.549) 10.011 19.124 ( 0.000 0.273 1.646) 1.669 19.130 ( 0.000 0.766 1.452) 1.642 19.509 ( 0.000 6.476 -22.644) 23.552 19.613 ( 0.000 -6.454 -26.926) 27.688 20.074 ( 0.000 2.344 -2.326) 3.302 20.104 ( 0.000 -1.486 -2.217) 2.669 20.496 ( 0.000 0.684 0.145) 0.699 20.576 ( 0.000 -7.691 -3.634) 8.506 21.230 ( 0.000 9.104 4.961) 10.368 21.315 ( 0.000 -1.686 1.658) 2.365 21.607 ( 0.000 -0.798 -4.795) 4.861 21.649 ( 0.000 -2.548 -0.176) 2.554 21.770 ( 0.000 11.598 -9.340) 14.891 21.957 ( 0.000 -6.208 -11.887) 13.410 22.127 ( 0.000 2.874 -0.482) 2.915 22.138 ( 0.000 0.893 9.178) 9.222 22.536 ( 0.000 9.100 -14.230) 16.890 22.703 ( 0.000 -7.503 -13.274) 15.248 23.336 ( 0.000 4.260 3.545) 5.542 23.510 ( 0.000 -13.767 -4.267) 14.414 24.382 ( 0.000 1.310 -0.106) 1.315 24.399 ( 0.000 -1.951 -2.053) 2.832 24.814 ( 0.000 -1.509 3.835) 4.121 24.828 ( 0.000 -1.780 3.821) 4.215 25.543 ( 0.000 28.982 15.250) 32.749 25.809 ( 0.000 -1.022 0.729) 1.255 25.831 ( 0.000 7.524 -2.006) 7.787 26.072 ( 0.000 -4.825 -0.282) 4.833 26.256 ( 0.000 15.541 -2.098) 15.682 26.749 ( 0.000 -27.065 -14.007) 30.475 27.005 ( 0.000 -10.489 1.370) 10.578 27.042 ( 0.000 -16.820 0.378) 16.824 28.219 ( 0.000 13.689 7.937) 15.823 28.375 ( 0.000 0.358 1.174) 1.228 29.245 ( 0.000 8.338 7.992) 11.550 29.428 ( 0.000 -5.371 8.417) 9.984 29.624 ( 0.000 -0.138 4.746) 4.748 29.634 ( 0.000 -2.689 0.381) 2.716 29.864 ( 0.000 8.272 -11.944) 14.529 29.958 ( 0.000 -3.014 -10.558) 10.980 30.209 ( 0.000 -1.730 4.235) 4.575 30.252 ( 0.000 -7.178 1.158) 7.271 30.442 ( 0.000 3.449 8.292) 8.981 30.513 ( 0.000 -5.310 10.525) 11.789 30.652 ( 0.000 4.808 -0.001) 4.808 30.778 ( 0.000 -9.205 -1.611) 9.345 31.274 ( 0.000 11.657 9.653) 15.135 31.346 ( 0.000 10.490 3.105) 10.940 31.542 ( 0.000 -8.882 3.377) 9.502 31.565 ( 0.000 -5.115 -0.376) 5.129 33.245 ( 0.000 2.013 10.418) 10.611 33.279 ( 0.000 -1.852 8.024) 8.235 33.307 ( 0.000 8.506 8.842) 12.269 33.395 ( 0.000 -2.345 3.964) 4.605 33.577 ( 0.000 11.378 14.193) 18.191 33.812 ( 0.000 -8.702 14.666) 17.054 33.975 ( 0.000 7.384 2.400) 7.764 34.202 ( 0.000 -13.071 3.660) 13.574 35.185 ( 0.000 1.011 13.982) 14.019 35.210 ( 0.000 -1.835 14.508) 14.623 35.771 ( 0.000 4.395 -11.162) 11.996 35.839 ( 0.000 -3.061 -12.528) 12.896 36.299 ( 0.000 6.142 -3.552) 7.095 36.346 ( 0.000 2.502 -0.522) 2.556 36.443 ( 0.000 -1.044 -11.443) 11.491 36.481 ( 0.000 -6.392 -19.169) 20.207 ======================= Grid point 190 (70/84) ======================= q-point: ( 0.17 0.40 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 0.127 1.503 1.816) 2.361 2.832 ( 0.448 0.577 1.279) 1.473 2.955 ( -1.747 1.045 3.435) 3.993 2.976 ( -1.243 -1.151 2.710) 3.196 3.094 ( 0.990 1.225 1.733) 2.342 3.105 ( 0.501 -0.052 1.230) 1.329 3.191 ( -0.754 5.183 0.422) 5.255 3.239 ( -0.203 1.424 -2.004) 2.467 3.382 ( 2.889 -0.667 2.039) 3.598 3.425 ( 3.773 -3.919 -0.310) 5.449 3.753 ( -2.915 4.615 4.934) 7.358 3.817 ( -3.430 -2.422 2.590) 4.934 5.701 ( 6.712 15.806 1.391) 17.229 5.833 ( 5.145 22.178 -2.934) 22.955 5.940 ( 2.610 -3.134 10.216) 11.000 6.091 ( 10.703 -0.100 13.390) 17.142 6.231 ( 0.539 -7.711 -1.257) 7.831 6.341 ( 5.176 -15.316 -0.681) 16.182 6.446 ( -0.770 0.958 6.646) 6.758 6.553 ( 5.565 -10.691 4.666) 12.924 6.769 ( -9.428 3.406 -2.483) 10.327 6.866 ( -6.475 -6.374 -4.484) 10.132 7.469 ( 16.187 2.108 9.156) 18.716 7.634 ( 17.090 -13.191 10.062) 23.819 7.877 ( -9.955 1.801 3.292) 10.639 7.932 ( -9.742 -4.588 0.837) 10.801 8.355 ( 17.791 4.352 7.264) 19.704 8.448 ( 16.834 -0.575 4.495) 17.433 9.000 ( -6.759 0.571 7.929) 10.434 9.086 ( -4.557 -5.678 0.476) 7.297 9.185 ( 2.184 10.452 8.342) 13.550 9.274 ( -1.632 1.630 1.316) 2.656 10.083 ( -6.810 14.062 9.601) 18.338 10.194 ( -7.304 2.355 17.472) 19.083 10.327 ( -7.508 5.737 10.103) 13.833 10.430 ( -2.298 -1.072 11.014) 11.302 10.666 ( -3.164 9.161 11.391) 14.956 10.784 ( 0.361 4.271 4.407) 6.148 10.853 ( -7.207 -3.801 7.308) 10.946 10.998 ( -2.265 -13.740 6.367) 15.312 11.366 ( -1.880 -8.087 4.738) 9.560 11.377 ( 4.299 -3.880 6.880) 8.992 11.753 ( -3.907 -1.456 -2.441) 4.831 11.895 ( 7.622 -7.499 3.578) 11.276 11.971 ( -15.368 4.436 19.579) 25.282 12.109 ( -11.267 -12.731 13.816) 21.907 12.546 ( -8.799 14.269 -1.308) 16.815 12.695 ( -4.004 2.924 5.303) 7.260 12.976 ( 0.178 12.086 -8.372) 14.704 13.107 ( -0.297 -8.091 -3.199) 8.705 13.162 ( -0.019 -10.878 -6.722) 12.787 13.214 ( -0.222 -11.191 1.935) 11.360 13.688 ( 1.945 11.086 2.105) 11.451 13.812 ( 2.983 4.542 -1.401) 5.612 13.989 ( 3.077 -7.882 -3.845) 9.294 14.024 ( 3.317 -12.818 -6.979) 14.967 15.151 ( 8.541 22.143 8.150) 25.093 15.372 ( 6.926 12.456 2.530) 14.475 15.583 ( 7.474 -7.577 -2.151) 10.858 15.762 ( 4.679 -13.764 -0.440) 14.544 15.828 ( 1.810 19.486 -3.463) 19.874 16.017 ( 0.229 20.095 -3.030) 20.323 16.052 ( 0.293 -0.786 -4.104) 4.189 16.216 ( 6.540 4.995 -14.271) 16.474 16.579 ( 1.980 -4.871 -10.216) 11.490 16.661 ( -10.678 -10.630 -0.828) 15.090 16.825 ( -9.130 -6.538 -3.654) 11.809 16.964 ( -1.115 -18.473 -13.665) 23.005 17.305 ( 5.988 4.351 -8.356) 11.162 17.417 ( 6.002 -6.745 -11.783) 14.845 17.580 ( -3.909 2.652 -11.378) 12.319 17.648 ( -6.611 -3.161 -9.796) 12.233 17.806 ( -8.102 13.105 8.994) 17.841 18.061 ( -7.416 -12.203 5.906) 15.453 18.487 ( -9.671 9.622 -1.502) 13.725 18.732 ( -3.650 -12.901 -11.313) 17.542 18.795 ( 4.339 7.549 -3.415) 9.353 18.927 ( 6.458 -4.419 -11.423) 13.846 19.181 ( 4.168 2.976 1.204) 5.261 19.240 ( 9.089 -3.025 0.735) 9.607 19.530 ( 1.928 7.082 -18.766) 20.150 19.623 ( 1.666 -4.135 -18.513) 19.043 20.051 ( -2.358 1.347 -2.422) 3.639 20.086 ( -2.377 -3.081 -4.755) 6.144 20.531 ( 3.533 2.584 -2.128) 4.867 20.601 ( 2.442 -4.736 -5.194) 7.441 21.139 ( -7.236 8.168 3.167) 11.363 21.271 ( -6.477 -5.921 -0.874) 8.820 21.613 ( 2.468 3.699 -1.356) 4.649 21.693 ( 3.135 -4.806 1.091) 5.841 21.774 ( 0.081 10.033 -8.066) 12.873 21.944 ( -1.355 -6.708 -9.574) 11.768 22.177 ( 6.630 6.070 2.936) 9.457 22.239 ( 8.769 -0.808 1.976) 9.025 22.551 ( 1.170 8.823 -12.708) 15.515 22.706 ( 0.105 -6.540 -12.213) 13.854 23.413 ( 7.884 3.398 2.756) 9.017 23.568 ( 6.030 -12.632 -4.267) 14.634 24.307 ( -7.698 -0.713 -0.546) 7.750 24.337 ( -6.664 -3.071 -2.192) 7.658 24.838 ( 3.506 1.310 4.870) 6.142 24.881 ( 5.355 -1.956 2.443) 6.202 25.508 ( -3.178 25.119 10.998) 27.605 25.710 ( -7.546 5.075 -1.437) 9.207 25.942 ( 9.264 5.908 3.138) 11.427 26.177 ( 3.933 -13.041 10.397) 17.136 26.262 ( 4.765 21.578 -9.281) 23.968 26.765 ( 1.915 -24.022 -14.634) 28.194 26.844 ( -13.788 -7.958 4.481) 16.539 26.988 ( -5.456 -20.050 -2.395) 20.917 28.028 ( -19.123 12.215 6.100) 23.496 28.169 ( -20.016 -1.153 -0.340) 20.052 29.258 ( 1.728 12.589 7.090) 14.551 29.479 ( 2.292 -9.146 3.478) 10.049 29.617 ( -0.542 6.360 5.418) 8.373 29.689 ( 5.842 -2.248 4.598) 7.767 29.866 ( 4.745 8.097 -5.137) 10.699 30.016 ( 1.610 -5.779 -7.208) 9.378 30.203 ( -0.612 -1.886 5.072) 5.445 30.282 ( 0.866 -12.859 2.107) 13.059 30.491 ( 4.682 4.188 6.759) 9.227 30.566 ( 6.065 -3.819 5.513) 9.042 30.661 ( 1.221 4.100 0.532) 4.311 30.766 ( -0.840 -7.596 -1.204) 7.737 31.306 ( 2.856 11.273 6.504) 13.324 31.376 ( 3.280 10.474 2.354) 11.226 31.519 ( -0.638 -4.609 1.384) 4.855 31.605 ( 1.974 -8.430 -1.409) 8.772 33.203 ( -0.471 4.525 14.998) 15.673 33.268 ( 1.622 -2.898 12.563) 12.994 33.388 ( 3.516 10.209 12.406) 16.446 33.498 ( 7.177 -1.751 4.542) 8.673 33.630 ( 6.261 5.930 9.417) 12.769 33.800 ( -0.925 -7.664 13.987) 15.976 33.969 ( -0.473 7.418 0.644) 7.461 34.188 ( -1.535 -12.822 2.226) 13.104 35.166 ( -1.417 0.924 12.118) 12.235 35.189 ( -1.550 -1.594 12.294) 12.493 35.702 ( -7.205 4.600 -11.103) 14.012 35.776 ( -6.905 -3.425 -13.351) 15.416 36.303 ( 0.560 5.465 -2.974) 6.247 36.355 ( 0.865 2.505 -1.201) 2.910 36.421 ( -1.357 -0.508 -11.436) 11.527 36.492 ( 0.312 -6.205 -15.553) 16.747 ======================= Grid point 191 (71/84) ======================= q-point: ( 0.33 0.40 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 0.629 2.953 2.335) 3.817 2.843 ( 0.652 1.960 1.881) 2.794 2.923 ( -1.512 -0.574 2.703) 3.150 2.943 ( -2.009 -2.210 2.079) 3.639 3.121 ( 1.245 0.739 0.950) 1.732 3.124 ( 2.119 0.585 1.080) 2.449 3.178 ( -0.859 3.109 1.246) 3.458 3.217 ( -1.868 -0.713 -0.269) 2.018 3.464 ( 5.488 1.725 1.483) 5.941 3.509 ( 5.247 -2.790 -0.433) 5.958 3.677 ( -5.050 3.636 3.725) 7.252 3.730 ( -5.705 -2.122 1.644) 6.305 5.865 ( 9.714 16.357 1.211) 19.062 5.937 ( 5.828 18.490 -0.194) 19.388 5.995 ( 2.219 4.218 9.169) 10.334 6.200 ( -2.415 -3.637 1.910) 4.765 6.339 ( 10.000 -3.964 5.919) 12.278 6.415 ( 3.562 -4.698 0.554) 5.921 6.501 ( 5.565 -2.726 4.295) 7.540 6.562 ( -3.944 -4.657 2.057) 6.440 6.762 ( -3.787 -10.020 -2.829) 11.079 6.785 ( 14.728 -13.235 -0.615) 19.810 7.417 ( -21.528 4.320 11.348) 24.716 7.569 ( -19.897 -10.494 4.412) 22.923 7.994 ( 22.928 4.132 11.040) 25.781 8.142 ( 25.673 -11.792 10.260) 30.057 8.690 ( -1.826 14.233 10.874) 18.004 8.776 ( 19.226 11.056 0.898) 22.196 8.944 ( -5.697 -11.623 2.920) 13.269 8.982 ( 16.724 -9.411 -1.641) 19.261 9.264 ( 1.853 5.387 4.723) 7.400 9.323 ( 10.558 1.733 1.521) 10.807 9.931 ( -11.117 9.330 10.386) 17.847 9.997 ( -11.866 2.663 13.866) 18.443 10.119 ( -15.509 7.534 6.967) 18.596 10.235 ( -18.075 -3.442 11.051) 21.463 10.578 ( -8.219 14.272 -6.143) 17.578 10.658 ( -9.481 8.569 -6.828) 14.490 10.787 ( 2.645 -0.344 15.103) 15.337 10.962 ( -2.987 -17.326 7.088) 18.956 11.320 ( -2.007 -2.370 11.985) 12.381 11.444 ( -0.775 -0.612 17.169) 17.198 11.600 ( -8.965 -7.644 15.016) 19.087 11.793 ( -8.054 -6.425 20.919) 23.319 11.932 ( 2.444 -0.992 8.267) 8.678 12.109 ( 12.961 -10.010 -2.126) 16.514 12.373 ( -9.606 9.987 -5.966) 15.087 12.605 ( -7.280 -7.707 -2.984) 11.014 12.951 ( -0.772 11.147 -2.817) 11.524 13.056 ( -3.865 3.759 -3.762) 6.574 13.168 ( 0.563 -11.909 4.605) 12.780 13.211 ( -0.937 -9.287 6.499) 11.374 13.748 ( 3.970 16.814 -0.630) 17.288 13.839 ( 0.093 11.668 -2.581) 11.951 14.068 ( 4.121 -12.757 -4.015) 13.994 14.090 ( 3.032 -18.118 -6.076) 19.348 15.345 ( 11.303 21.237 3.869) 24.367 15.538 ( 8.767 15.751 -5.283) 18.785 15.693 ( 2.712 0.323 2.480) 3.689 15.829 ( 5.319 0.789 2.537) 5.946 15.926 ( 4.614 -3.997 -5.709) 8.358 16.047 ( 2.967 13.760 -0.739) 14.096 16.053 ( 0.788 -3.504 2.311) 4.271 16.342 ( 2.901 -3.126 -7.488) 8.617 16.467 ( -5.744 3.914 -6.212) 9.323 16.553 ( -5.680 -3.237 -5.722) 8.688 16.706 ( -2.078 -3.209 -3.787) 5.382 16.899 ( -7.464 -15.200 -12.918) 21.299 17.353 ( -1.590 1.090 -14.336) 14.465 17.391 ( 0.761 -3.324 -18.773) 19.081 17.576 ( -5.642 -1.111 -9.769) 11.336 17.597 ( -2.129 5.762 -5.877) 8.502 17.753 ( 7.000 -2.771 2.160) 7.832 17.931 ( -1.660 -6.200 0.343) 6.427 18.258 ( -13.279 3.019 2.222) 13.798 18.494 ( -15.723 -17.203 -4.628) 23.761 19.013 ( 12.413 7.516 -9.914) 17.574 19.110 ( 11.434 -1.829 -13.277) 17.617 19.241 ( 1.377 5.748 -1.558) 6.113 19.356 ( 1.541 -6.163 -5.145) 8.174 19.588 ( 4.857 10.985 -8.212) 14.550 19.671 ( 2.576 3.563 -8.244) 9.343 19.996 ( -3.236 -4.473 -3.911) 6.766 20.016 ( -4.480 -9.837 -5.076) 11.941 20.609 ( 4.260 10.286 -6.191) 12.739 20.650 ( 2.370 7.410 -7.360) 10.709 21.015 ( -5.181 -2.189 -0.157) 5.626 21.113 ( -8.990 -10.018 -4.107) 14.073 21.674 ( 3.382 4.040 0.934) 5.351 21.762 ( 2.871 -1.397 0.945) 3.329 21.766 ( 0.468 4.010 -3.407) 5.283 21.908 ( -2.578 -6.648 -4.958) 8.685 22.340 ( 9.689 7.933 -0.080) 12.523 22.426 ( 10.495 -1.216 -2.713) 10.908 22.558 ( -1.030 8.524 -8.927) 12.386 22.689 ( -2.490 -4.392 -9.718) 10.951 23.605 ( 12.189 1.694 1.305) 12.375 23.715 ( 9.375 -9.088 -3.748) 13.584 24.120 ( -11.804 -3.466 -0.328) 12.307 24.166 ( -11.114 -6.980 -2.477) 13.356 24.958 ( 9.425 6.040 4.668) 12.128 25.030 ( 10.571 0.243 0.579) 10.589 25.417 ( -7.500 16.227 6.546) 19.037 25.542 ( -10.836 4.258 -1.661) 11.760 26.099 ( 4.743 6.491 3.693) 8.846 26.141 ( -3.197 13.911 5.421) 15.269 26.401 ( 4.738 -8.169 5.954) 11.164 26.628 ( -7.293 -13.683 9.877) 18.384 26.852 ( 10.012 -9.382 -14.676) 20.091 26.962 ( 6.038 -16.433 -7.761) 19.150 27.598 ( -25.044 8.522 1.740) 26.511 27.720 ( -26.594 -3.741 -3.657) 27.103 29.309 ( 3.592 18.094 6.121) 19.436 29.452 ( -3.479 13.867 0.395) 14.302 29.674 ( 4.959 -10.829 10.393) 15.808 29.778 ( 2.261 -10.652 4.589) 11.816 29.986 ( 6.130 4.578 -1.018) 7.718 30.026 ( 0.797 -1.366 -1.574) 2.231 30.183 ( -1.360 -4.623 6.012) 7.705 30.251 ( -3.304 -11.867 4.684) 13.179 30.590 ( 5.417 5.030 4.054) 8.430 30.682 ( 4.495 -4.301 1.919) 6.510 30.694 ( 1.821 2.201 1.068) 3.050 30.758 ( -0.050 -4.956 -0.565) 4.988 31.375 ( 4.706 10.239 1.509) 11.369 31.444 ( 2.966 8.645 -0.149) 9.141 31.525 ( 1.212 -3.540 -0.419) 3.765 31.610 ( -1.539 -6.640 -3.865) 7.836 33.243 ( 4.095 7.239 20.235) 21.878 33.356 ( 7.074 -4.941 17.453) 19.470 33.395 ( -2.025 11.645 18.248) 21.742 33.581 ( -0.021 -6.597 11.763) 13.487 33.749 ( 4.968 3.922 9.071) 11.061 33.838 ( 6.315 -2.203 4.362) 7.985 33.957 ( -0.969 4.479 0.362) 4.597 34.138 ( -4.401 -11.519 0.967) 12.369 35.173 ( 3.320 1.330 5.413) 6.487 35.199 ( 4.023 -1.542 4.342) 6.117 35.521 ( -11.677 4.192 -9.408) 15.571 35.591 ( -12.477 -3.334 -12.593) 18.038 36.322 ( 1.378 5.097 -2.808) 5.980 36.367 ( -0.150 5.042 -3.562) 6.176 36.412 ( 0.885 -3.050 -7.740) 8.366 36.482 ( -1.393 -5.834 -11.436) 12.914 ======================= Grid point 192 (72/84) ======================= q-point: (-0.50 0.40 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.845 ( -0.566 4.144 2.795) 5.031 2.845 ( 0.567 4.144 2.795) 5.031 2.913 ( -0.773 -3.096 1.621) 3.579 2.913 ( 0.773 -3.096 1.621) 3.579 3.146 ( -1.022 2.383 0.711) 2.688 3.146 ( 1.022 2.383 0.711) 2.688 3.178 ( -1.985 -1.007 1.005) 2.442 3.178 ( 1.985 -1.007 1.005) 2.442 3.572 ( -5.691 2.724 1.890) 6.586 3.572 ( 5.691 2.724 1.890) 6.586 3.618 ( -5.937 -2.238 0.825) 6.398 3.618 ( 5.937 -2.238 0.825) 6.398 5.981 ( -2.668 15.140 3.701) 15.813 5.981 ( 2.668 15.140 3.701) 15.813 6.091 ( -8.538 6.337 2.435) 10.908 6.091 ( 8.538 6.337 2.435) 10.908 6.440 ( -3.109 -3.470 -0.339) 4.671 6.440 ( 3.109 -3.470 -0.339) 4.671 6.533 ( -6.441 -11.209 -1.728) 13.043 6.533 ( 6.441 -11.209 -1.728) 13.043 6.955 ( -19.965 1.077 12.690) 23.681 6.955 ( 19.965 1.077 12.690) 23.681 7.167 ( -19.501 -15.309 2.911) 24.963 7.167 ( 19.501 -15.309 2.911) 24.963 8.393 ( -14.676 12.936 9.712) 21.841 8.393 ( 14.676 12.936 9.712) 21.841 8.637 ( -14.891 -13.142 4.776) 20.427 8.637 ( 14.891 -13.142 4.776) 20.427 9.206 ( -12.313 10.880 7.661) 18.130 9.206 ( 12.313 10.880 7.661) 18.130 9.401 ( -14.445 -9.111 2.260) 17.227 9.401 ( 14.445 -9.111 2.260) 17.227 9.810 ( -5.888 9.357 4.766) 12.039 9.810 ( 5.888 9.357 4.766) 12.039 9.919 ( -6.427 -1.996 5.306) 8.570 9.919 ( 6.427 -1.996 5.306) 8.570 10.521 ( -3.243 20.435 -5.508) 21.411 10.521 ( 3.243 20.435 -5.508) 21.411 10.878 ( -5.697 -16.761 8.932) 19.828 10.878 ( 5.697 -16.761 8.932) 19.828 11.334 ( -4.742 8.643 21.286) 23.458 11.334 ( 4.742 8.643 21.286) 23.458 11.628 ( -7.082 -20.672 22.736) 31.534 11.628 ( 7.082 -20.672 22.736) 31.534 12.116 ( -11.696 14.438 -1.455) 18.637 12.116 ( 11.696 14.438 -1.455) 18.637 12.410 ( -12.503 -15.977 -8.552) 22.017 12.410 ( 12.503 -15.977 -8.552) 22.017 12.983 ( -3.568 10.555 0.428) 11.150 12.983 ( 3.568 10.555 0.428) 11.150 13.186 ( -1.362 -10.195 7.717) 12.859 13.186 ( 1.362 -10.195 7.717) 12.859 13.814 ( -2.725 15.656 -2.340) 16.063 13.814 ( 2.725 15.656 -2.340) 16.063 14.115 ( -0.624 -16.675 -5.024) 17.427 14.115 ( 0.624 -16.675 -5.024) 17.427 15.530 ( -7.698 21.346 -3.242) 22.922 15.530 ( 7.698 21.346 -3.242) 22.922 15.822 ( -8.326 -2.327 1.307) 8.744 15.822 ( 8.326 -2.327 1.307) 8.744 15.993 ( -4.816 5.038 1.483) 7.126 15.993 ( 4.816 5.038 1.483) 7.126 16.210 ( -10.568 -10.659 2.725) 15.255 16.210 ( 10.568 -10.659 2.725) 15.255 16.495 ( -0.896 10.642 -9.556) 14.331 16.495 ( 0.896 10.642 -9.556) 14.331 16.735 ( -7.051 -10.670 -10.002) 16.236 16.735 ( 7.051 -10.670 -10.002) 16.236 17.390 ( -6.539 4.209 -10.304) 12.909 17.390 ( 6.539 4.209 -10.304) 12.909 17.515 ( -8.090 -9.226 -14.206) 18.771 17.515 ( 8.090 -9.226 -14.206) 18.771 17.908 ( -10.083 10.451 -0.667) 14.538 17.908 ( 10.083 10.451 -0.667) 14.538 18.209 ( -12.620 -18.647 -3.056) 22.722 18.209 ( 12.620 -18.647 -3.056) 22.722 19.196 ( -6.336 6.382 -6.315) 10.989 19.196 ( 6.336 6.382 -6.315) 10.989 19.295 ( -7.259 -3.852 -9.632) 12.661 19.295 ( 7.259 -3.852 -9.632) 12.661 19.674 ( -2.910 14.483 -4.093) 15.330 19.674 ( 2.910 14.483 -4.093) 15.330 19.962 ( -0.512 -15.472 -4.712) 16.181 19.962 ( 0.512 -15.472 -4.712) 16.181 20.666 ( -1.280 19.481 -7.123) 20.782 20.666 ( 1.280 19.481 -7.124) 20.782 20.989 ( -3.166 -14.956 -4.357) 15.896 20.989 ( 3.166 -14.956 -4.357) 15.896 21.730 ( -2.565 5.747 -0.382) 6.305 21.730 ( 2.565 5.747 -0.382) 6.305 21.846 ( -4.104 -6.004 -0.651) 7.301 21.846 ( 4.104 -6.004 -0.651) 7.301 22.492 ( -5.986 8.538 -4.639) 11.412 22.492 ( 5.986 8.538 -4.639) 11.412 22.599 ( -7.331 -2.368 -6.289) 9.945 22.599 ( 7.331 -2.368 -6.289) 9.945 23.821 ( -7.064 2.821 -1.129) 7.690 23.821 ( 7.064 2.821 -1.129) 7.690 23.974 ( -5.364 -12.803 -1.413) 13.953 23.974 ( 5.364 -12.803 -1.413) 13.953 25.153 ( -7.410 13.150 2.899) 15.370 25.153 ( 7.410 13.150 2.899) 15.370 25.329 ( -8.426 -2.506 0.492) 8.804 25.329 ( 8.426 -2.506 0.492) 8.804 26.110 ( -0.840 15.927 3.030) 16.234 26.110 ( 0.840 15.927 3.030) 16.234 26.507 ( -6.857 -19.467 11.641) 23.696 26.507 ( 6.857 -19.467 11.641) 23.696 27.143 ( -14.647 2.324 -8.679) 17.183 27.143 ( 14.647 2.324 -8.679) 17.183 27.261 ( -16.500 -6.888 -4.982) 18.561 27.261 ( 16.500 -6.888 -4.982) 18.561 29.381 ( -4.018 21.120 4.234) 21.912 29.381 ( 4.018 21.120 4.234) 21.912 29.758 ( -3.632 -18.372 6.358) 19.777 29.758 ( 3.632 -18.372 6.358) 19.777 30.045 ( -0.885 6.123 1.443) 6.352 30.045 ( 0.885 6.123 1.443) 6.352 30.188 ( -2.699 -10.013 4.716) 11.393 30.188 ( 2.699 -10.013 4.716) 11.393 30.674 ( -3.233 3.663 1.807) 5.209 30.674 ( 3.233 3.663 1.807) 5.209 30.746 ( -1.941 -3.846 1.542) 4.576 30.746 ( 1.941 -3.846 1.542) 4.576 31.454 ( -2.407 7.273 -1.327) 7.775 31.454 ( 2.407 7.273 -1.327) 7.775 31.562 ( -2.801 -3.468 -2.674) 5.198 31.562 ( 2.801 -3.468 -2.674) 5.198 33.328 ( -4.507 10.233 20.689) 23.517 33.328 ( 4.507 10.233 20.689) 23.517 33.500 ( -7.185 -8.198 18.457) 21.436 33.500 ( 7.185 -8.198 18.457) 21.436 33.854 ( -5.303 8.271 2.306) 10.092 33.854 ( 5.303 8.271 2.306) 10.092 34.021 ( -7.536 -9.575 3.696) 12.733 34.021 ( 7.536 -9.575 3.696) 12.733 35.305 ( -10.183 2.840 -3.867) 11.257 35.305 ( 10.183 2.840 -3.867) 11.257 35.354 ( -11.576 -2.438 -6.405) 13.452 35.354 ( 11.576 -2.438 -6.405) 13.452 36.349 ( -1.433 5.500 -3.683) 6.773 36.349 ( 1.433 5.500 -3.683) 6.773 36.446 ( -2.224 -4.891 -7.965) 9.607 36.446 ( 2.224 -4.891 -7.965) 9.607 ======================= Grid point 210 (73/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 0.000 0.000 -0.780) 0.780 2.784 ( 0.000 0.000 0.780) 0.780 2.931 ( 0.000 0.000 -2.533) 2.533 2.931 ( 0.000 0.000 2.533) 2.533 3.095 ( 0.000 0.000 -1.913) 1.913 3.095 ( 0.000 0.000 1.913) 1.913 3.097 ( 0.000 0.000 -3.250) 3.250 3.097 ( 0.000 0.000 3.250) 3.250 3.470 ( 0.000 0.000 -0.357) 0.357 3.470 ( 0.000 0.000 0.357) 0.357 3.801 ( 0.000 0.000 -7.222) 7.222 3.801 ( 0.000 0.000 7.222) 7.222 5.258 ( 0.000 0.000 -0.130) 0.130 5.258 ( 0.000 0.000 0.130) 0.130 6.172 ( 0.000 0.000 -7.966) 7.966 6.172 ( 0.000 0.000 7.966) 7.966 6.487 ( 0.000 0.000 -2.803) 2.803 6.487 ( 0.000 0.000 2.803) 2.803 6.605 ( 0.000 0.000 -1.897) 1.897 6.605 ( 0.000 0.000 1.897) 1.897 6.875 ( 0.000 0.000 -17.920) 17.920 6.875 ( 0.000 0.000 17.920) 17.920 7.878 ( 0.000 0.000 -10.203) 10.203 7.878 ( 0.000 0.000 10.203) 10.203 8.077 ( 0.000 0.000 -20.539) 20.539 8.077 ( 0.000 0.000 20.539) 20.539 8.284 ( 0.000 0.000 -2.525) 2.525 8.284 ( 0.000 0.000 2.525) 2.525 8.608 ( 0.000 0.000 -8.735) 8.735 8.608 ( 0.000 0.000 8.735) 8.735 9.417 ( 0.000 0.000 -6.331) 6.331 9.417 ( 0.000 0.000 6.331) 6.331 9.927 ( 0.000 0.000 -2.692) 2.692 9.927 ( 0.000 0.000 2.692) 2.692 10.589 ( 0.000 0.000 -14.662) 14.662 10.589 ( 0.000 0.000 14.662) 14.662 10.965 ( 0.000 0.000 -9.908) 9.908 10.965 ( 0.000 0.000 9.908) 9.908 11.198 ( 0.000 0.000 -19.805) 19.805 11.198 ( 0.000 0.000 19.805) 19.805 11.679 ( 0.000 0.000 -17.051) 17.051 11.679 ( 0.000 0.000 17.051) 17.051 11.834 ( 0.000 0.000 -0.654) 0.654 11.834 ( 0.000 0.000 0.654) 0.654 12.293 ( 0.000 0.000 -13.480) 13.480 12.293 ( 0.000 0.000 13.480) 13.480 12.322 ( 0.000 0.000 -2.493) 2.493 12.322 ( 0.000 0.000 2.493) 2.493 13.379 ( 0.000 0.000 -17.598) 17.598 13.379 ( 0.000 0.000 17.598) 17.598 13.502 ( 0.000 0.000 -5.314) 5.314 13.502 ( 0.000 0.000 5.314) 5.314 13.591 ( 0.000 0.000 -4.174) 4.174 13.591 ( 0.000 0.000 4.174) 4.174 14.365 ( 0.000 0.000 -2.814) 2.814 14.365 ( 0.000 0.000 2.814) 2.814 14.535 ( 0.000 0.000 -11.177) 11.177 14.535 ( 0.000 0.000 11.177) 11.177 14.930 ( 0.000 0.000 -10.070) 10.070 14.930 ( 0.000 0.000 10.070) 10.070 15.747 ( 0.000 0.000 -1.693) 1.693 15.747 ( 0.000 0.000 1.693) 1.693 16.169 ( 0.000 0.000 -4.572) 4.572 16.169 ( 0.000 0.000 4.572) 4.572 16.729 ( 0.000 0.000 -17.143) 17.143 16.729 ( 0.000 0.000 17.143) 17.143 17.188 ( 0.000 0.000 -12.663) 12.663 17.188 ( 0.000 0.000 12.663) 12.663 17.475 ( 0.000 0.000 -4.217) 4.217 17.475 ( 0.000 0.000 4.217) 4.217 17.700 ( 0.000 0.000 -0.804) 0.804 17.700 ( 0.000 0.000 0.804) 0.804 17.781 ( 0.000 0.000 -23.911) 23.911 17.781 ( 0.000 0.000 23.911) 23.911 18.405 ( 0.000 0.000 -8.864) 8.864 18.405 ( 0.000 0.000 8.864) 8.864 19.019 ( 0.000 0.000 -6.015) 6.015 19.019 ( 0.000 0.000 6.015) 6.015 19.180 ( 0.000 0.000 -3.482) 3.482 19.180 ( 0.000 0.000 3.482) 3.482 19.363 ( 0.000 0.000 -21.812) 21.812 19.363 ( 0.000 0.000 21.812) 21.812 19.941 ( 0.000 0.000 -6.204) 6.204 19.941 ( 0.000 0.000 6.204) 6.204 20.865 ( 0.000 0.000 -6.676) 6.676 20.865 ( 0.000 0.000 6.676) 6.676 20.966 ( 0.000 0.000 -12.083) 12.083 20.966 ( 0.000 0.000 12.083) 12.083 21.583 ( 0.000 0.000 -13.130) 13.130 21.583 ( 0.000 0.000 13.130) 13.130 21.805 ( 0.000 0.000 -3.338) 3.338 21.805 ( 0.000 0.000 3.338) 3.338 22.043 ( 0.000 0.000 -14.962) 14.962 22.043 ( 0.000 0.000 14.962) 14.962 22.427 ( 0.000 0.000 -17.066) 17.066 22.427 ( 0.000 0.000 17.066) 17.066 23.692 ( 0.000 0.000 -13.814) 13.814 23.692 ( 0.000 0.000 13.814) 13.814 24.399 ( 0.000 0.000 -5.374) 5.374 24.399 ( 0.000 0.000 5.374) 5.374 24.902 ( 0.000 0.000 -2.302) 2.302 24.902 ( 0.000 0.000 2.302) 2.302 25.218 ( 0.000 0.000 -20.384) 20.384 25.218 ( 0.000 0.000 20.384) 20.384 25.688 ( 0.000 0.000 -4.311) 4.311 25.688 ( 0.000 0.000 4.311) 4.311 26.720 ( 0.000 0.000 -25.638) 25.638 26.720 ( 0.000 0.000 25.638) 25.638 27.824 ( 0.000 0.000 -11.293) 11.293 27.824 ( 0.000 0.000 11.293) 11.293 27.960 ( 0.000 0.000 -2.756) 2.756 27.960 ( 0.000 0.000 2.756) 2.756 29.251 ( 0.000 0.000 -0.831) 0.831 29.251 ( 0.000 0.000 0.831) 0.831 29.677 ( 0.000 0.000 -2.115) 2.115 29.677 ( 0.000 0.000 2.115) 2.115 29.731 ( 0.000 0.000 -13.170) 13.170 29.731 ( 0.000 0.000 13.170) 13.170 30.393 ( 0.000 0.000 -3.122) 3.122 30.393 ( 0.000 0.000 3.122) 3.122 30.510 ( 0.000 0.000 -5.183) 5.183 30.510 ( 0.000 0.000 5.183) 5.183 30.988 ( 0.000 0.000 -7.616) 7.616 30.988 ( 0.000 0.000 7.616) 7.616 31.210 ( 0.000 0.000 -10.576) 10.576 31.210 ( 0.000 0.000 10.576) 10.576 31.555 ( 0.000 0.000 -11.318) 11.318 31.555 ( 0.000 0.000 11.318) 11.318 33.331 ( 0.000 0.000 -8.964) 8.964 33.331 ( 0.000 0.000 8.964) 8.964 33.425 ( 0.000 0.000 -3.733) 3.733 33.425 ( 0.000 0.000 3.733) 3.733 33.439 ( 0.000 0.000 -0.945) 0.945 33.439 ( 0.000 0.000 0.945) 0.945 34.497 ( 0.000 0.000 -8.532) 8.532 34.497 ( 0.000 0.000 8.532) 8.532 35.420 ( 0.000 0.000 -12.718) 12.718 35.420 ( 0.000 0.000 12.718) 12.718 35.610 ( 0.000 0.000 -17.057) 17.057 35.610 ( 0.000 0.000 17.057) 17.057 36.208 ( 0.000 0.000 -2.685) 2.685 36.208 ( 0.000 0.000 2.685) 2.685 36.348 ( 0.000 0.000 -4.246) 4.246 36.348 ( 0.000 0.000 4.246) 4.246 ======================= Grid point 212 (74/84) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 0.369 0.000 -1.496) 1.541 2.790 ( 0.369 0.000 1.496) 1.541 2.940 ( 0.853 0.000 -2.416) 2.562 2.940 ( 0.853 0.000 2.416) 2.562 3.087 ( -0.793 0.000 -1.837) 2.001 3.087 ( -0.793 0.000 1.837) 2.001 3.118 ( 2.124 0.000 -2.951) 3.636 3.118 ( 2.124 0.000 2.951) 3.636 3.480 ( 1.156 0.000 -1.851) 2.182 3.480 ( 1.156 0.000 1.851) 2.183 3.773 ( -2.902 0.000 -6.622) 7.229 3.773 ( -2.902 0.000 6.622) 7.229 5.315 ( 6.099 0.000 -0.774) 6.148 5.315 ( 6.099 0.000 0.774) 6.148 6.211 ( 3.628 0.000 -9.657) 10.316 6.211 ( 3.628 0.000 9.657) 10.316 6.344 ( -13.164 0.000 -9.469) 16.216 6.344 ( -13.164 0.000 9.469) 16.216 6.711 ( 10.778 0.000 -8.512) 13.734 6.711 ( 10.778 0.000 8.512) 13.734 6.933 ( 5.173 0.000 -8.149) 9.652 6.933 ( 5.173 0.000 8.149) 9.652 8.014 ( 9.442 0.000 -9.475) 13.376 8.014 ( 9.442 0.000 9.475) 13.376 8.046 ( -1.154 0.000 -19.619) 19.653 8.046 ( -1.154 0.000 19.619) 19.653 8.418 ( 11.776 0.000 -0.735) 11.799 8.418 ( 11.776 0.000 0.735) 11.799 8.610 ( 4.853 0.000 -6.247) 7.910 8.610 ( 4.853 0.000 6.247) 7.910 9.503 ( 8.046 0.000 -5.399) 9.690 9.503 ( 8.046 0.000 5.399) 9.690 9.641 ( -23.277 0.000 -21.538) 31.713 9.641 ( -23.277 0.000 21.538) 31.713 10.576 ( -9.519 0.000 -9.832) 13.685 10.576 ( -9.519 0.000 9.832) 13.685 10.777 ( -18.368 0.000 -7.186) 19.724 10.777 ( -18.368 0.000 7.186) 19.724 11.283 ( 11.370 0.000 -22.984) 25.642 11.283 ( 11.370 0.000 22.984) 25.642 11.646 ( -7.393 0.000 -10.391) 12.752 11.646 ( -7.393 0.000 10.391) 12.752 11.844 ( 3.965 0.000 -12.007) 12.645 11.844 ( 3.965 0.000 12.007) 12.645 12.240 ( -5.553 0.000 -19.395) 20.175 12.240 ( -5.553 0.000 19.395) 20.175 12.391 ( 6.805 0.000 -7.163) 9.880 12.391 ( 6.805 0.000 7.163) 9.880 13.241 ( -12.670 0.000 -18.725) 22.608 13.241 ( -12.670 0.000 18.725) 22.608 13.500 ( 0.001 0.000 -5.157) 5.157 13.500 ( 0.001 0.000 5.157) 5.157 13.575 ( -1.569 0.000 -3.876) 4.182 13.575 ( -1.569 0.000 3.876) 4.182 14.377 ( 0.959 0.000 -1.000) 1.386 14.377 ( 0.959 0.000 1.000) 1.386 14.647 ( 9.824 0.000 -9.578) 13.720 14.647 ( 9.824 0.000 9.578) 13.720 15.016 ( 8.710 0.000 -10.050) 13.299 15.016 ( 8.710 0.000 10.050) 13.299 15.825 ( 8.026 0.000 -3.913) 8.929 15.825 ( 8.026 0.000 3.913) 8.929 16.205 ( 3.713 0.000 -3.872) 5.365 16.205 ( 3.713 0.000 3.872) 5.365 16.763 ( 3.620 0.000 -15.859) 16.267 16.763 ( 3.620 0.000 15.859) 16.267 16.891 ( -20.746 0.000 -13.821) 24.929 16.891 ( -20.746 0.000 13.821) 24.929 17.541 ( -6.872 0.000 -5.769) 8.973 17.541 ( -6.872 0.000 5.769) 8.973 17.605 ( -9.505 0.000 -10.148) 13.904 17.605 ( -9.505 0.000 10.148) 13.904 17.925 ( 18.997 0.000 -17.160) 25.599 17.925 ( 18.997 0.000 17.160) 25.599 18.435 ( 3.200 0.000 -12.824) 13.217 18.435 ( 3.200 0.000 12.824) 13.217 19.030 ( 0.597 0.000 -4.742) 4.780 19.030 ( 0.597 0.000 4.742) 4.780 19.040 ( -10.252 0.000 -13.703) 17.114 19.040 ( -10.252 0.000 13.703) 17.114 19.543 ( 14.127 0.000 -12.924) 19.147 19.543 ( 14.127 0.000 12.924) 19.147 19.855 ( -8.363 0.000 -4.779) 9.632 19.855 ( -8.363 0.000 4.779) 9.632 20.745 ( -11.405 0.000 -6.908) 13.334 20.745 ( -11.405 0.000 6.908) 13.334 21.028 ( 5.855 0.000 -9.352) 11.034 21.028 ( 5.855 0.000 9.352) 11.034 21.677 ( 8.721 0.000 -11.696) 14.589 21.677 ( 8.721 0.000 11.696) 14.589 21.808 ( 0.330 0.000 -3.976) 3.989 21.808 ( 0.330 0.000 3.976) 3.989 22.057 ( 1.096 0.000 -14.969) 15.009 22.057 ( 1.096 0.000 14.969) 15.009 22.437 ( 0.936 0.000 -14.734) 14.763 22.437 ( 0.936 0.000 14.734) 14.763 23.755 ( 6.403 0.000 -12.139) 13.724 23.755 ( 6.403 0.000 12.139) 13.724 24.391 ( -0.825 0.000 -4.007) 4.091 24.391 ( -0.825 0.000 4.007) 4.091 24.897 ( -0.470 0.000 -1.924) 1.981 24.897 ( -0.470 0.000 1.924) 1.981 25.102 ( -8.650 0.000 -13.143) 15.734 25.102 ( -8.650 0.000 13.143) 15.734 25.885 ( 17.448 0.000 -8.276) 19.311 25.885 ( 17.448 0.000 8.276) 19.311 26.623 ( -9.601 0.000 -22.713) 24.659 26.623 ( -9.601 0.000 22.713) 24.659 27.762 ( -5.922 0.000 -10.198) 11.793 27.762 ( -5.922 0.000 10.198) 11.793 27.819 ( -14.873 0.000 -6.711) 16.317 27.819 ( -14.873 0.000 6.711) 16.317 29.063 ( -12.460 0.000 -5.732) 13.716 29.063 ( -12.460 0.000 5.732) 13.716 29.732 ( 5.408 0.000 -2.594) 5.997 29.732 ( 5.408 0.000 2.594) 5.997 29.926 ( 12.365 0.000 -10.391) 16.151 29.926 ( 12.365 0.000 10.391) 16.151 30.478 ( 9.781 0.000 -7.902) 12.574 30.478 ( 9.781 0.000 7.902) 12.574 30.533 ( 2.268 0.000 -4.553) 5.087 30.533 ( 2.268 0.000 4.553) 5.087 30.915 ( -6.171 0.000 -7.076) 9.389 30.915 ( -6.171 0.000 7.076) 9.389 31.278 ( 5.589 0.000 -8.782) 10.410 31.278 ( 5.589 0.000 8.782) 10.410 31.502 ( -5.504 0.000 -14.565) 15.570 31.502 ( -5.504 0.000 14.565) 15.570 33.384 ( 4.370 0.000 -16.306) 16.882 33.384 ( 4.370 0.000 16.306) 16.882 33.419 ( 0.276 0.000 -4.976) 4.984 33.419 ( 0.276 0.000 4.976) 4.984 33.537 ( 9.984 0.000 -7.372) 12.411 33.537 ( 9.984 0.000 7.372) 12.411 34.458 ( -4.081 0.000 -9.264) 10.123 34.458 ( -4.081 0.000 9.264) 10.123 35.377 ( -4.351 0.000 -11.383) 12.186 35.377 ( -4.351 0.000 11.383) 12.186 35.542 ( -6.615 0.000 -16.048) 17.358 35.542 ( -6.615 0.000 16.048) 17.358 36.213 ( 0.404 0.000 -2.208) 2.244 36.213 ( 0.404 0.000 2.208) 2.244 36.365 ( 1.559 0.000 -4.610) 4.867 36.365 ( 1.559 0.000 4.610) 4.867 ======================= Grid point 214 (75/84) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( -0.053 0.000 -1.250) 1.251 2.792 ( -0.053 0.000 1.250) 1.251 2.958 ( 1.028 0.000 -1.794) 2.068 2.958 ( 1.028 0.000 1.794) 2.068 3.069 ( -1.028 0.000 -1.414) 1.748 3.069 ( -1.028 0.000 1.414) 1.748 3.164 ( 2.399 0.000 -1.948) 3.090 3.164 ( 2.399 0.000 1.948) 3.090 3.513 ( 2.273 0.000 -2.972) 3.742 3.513 ( 2.273 0.000 2.972) 3.742 3.705 ( -4.063 0.000 -5.014) 6.453 3.705 ( -4.063 0.000 5.014) 6.453 5.477 ( 10.997 0.000 -2.161) 11.207 5.477 ( 10.997 0.000 2.161) 11.207 6.069 ( -15.374 0.000 -8.232) 17.439 6.069 ( -15.374 0.000 8.232) 17.439 6.281 ( 3.261 0.000 -7.412) 8.097 6.281 ( 3.261 0.000 7.412) 8.097 6.945 ( 12.158 0.000 -9.455) 15.401 6.945 ( 12.157 0.000 9.455) 15.401 7.038 ( 5.432 0.000 -3.527) 6.477 7.038 ( 5.432 0.000 3.527) 6.477 8.043 ( -4.500 0.000 -9.111) 10.162 8.043 ( -4.500 0.000 9.111) 10.162 8.088 ( 6.706 0.000 -21.641) 22.657 8.088 ( 6.706 0.000 21.641) 22.657 8.573 ( -2.057 0.000 -11.801) 11.979 8.573 ( -2.057 0.000 11.801) 11.979 8.940 ( 28.010 0.000 -1.541) 28.052 8.940 ( 28.010 0.000 1.541) 28.052 9.337 ( -0.831 0.000 -32.181) 32.191 9.337 ( -0.831 0.000 32.181) 32.191 9.656 ( 6.859 0.000 -3.817) 7.850 9.656 ( 6.859 0.000 3.817) 7.850 10.204 ( -27.683 0.000 -15.635) 31.793 10.204 ( -27.683 0.000 15.635) 31.793 10.349 ( -26.299 0.000 -4.834) 26.740 10.349 ( -26.299 0.000 4.835) 26.740 11.457 ( -10.199 0.000 -3.790) 10.881 11.457 ( -10.199 0.000 3.790) 10.881 11.561 ( 15.891 0.000 -23.693) 28.529 11.561 ( 15.891 0.000 23.693) 28.529 11.932 ( 3.978 0.000 -6.459) 7.586 11.932 ( 3.978 0.000 6.459) 7.586 12.099 ( -9.356 0.000 -23.919) 25.684 12.099 ( -9.356 0.000 23.919) 25.684 12.549 ( 9.813 0.000 -15.368) 18.233 12.549 ( 9.813 0.000 15.368) 18.233 12.988 ( -13.528 0.000 -19.995) 24.141 12.988 ( -13.528 0.000 19.995) 24.141 13.507 ( 0.588 0.000 -3.878) 3.922 13.507 ( 0.588 0.000 3.878) 3.922 13.544 ( -1.477 0.000 -2.678) 3.058 13.544 ( -1.477 0.000 2.678) 3.058 14.390 ( 0.400 0.000 -0.663) 0.775 14.390 ( 0.400 0.000 0.663) 0.775 14.817 ( 7.202 0.000 -5.522) 9.075 14.817 ( 7.202 0.000 5.522) 9.075 15.211 ( 10.750 0.000 -7.218) 12.948 15.211 ( 10.750 0.000 7.218) 12.948 16.020 ( 12.175 0.000 -9.077) 15.186 16.020 ( 12.175 0.000 9.077) 15.186 16.290 ( 4.689 0.000 -1.756) 5.007 16.290 ( 4.689 0.000 1.756) 5.007 16.528 ( -17.818 0.000 -15.760) 23.787 16.528 ( -17.818 0.000 15.760) 23.787 16.857 ( 6.298 0.000 -13.405) 14.811 16.857 ( 6.298 0.000 13.405) 14.811 17.331 ( -12.180 0.000 -7.480) 14.294 17.331 ( -12.180 0.000 7.480) 14.294 17.391 ( -12.296 0.000 -13.439) 18.215 17.391 ( -12.296 0.000 13.439) 18.215 18.310 ( 19.477 0.000 -9.525) 21.681 18.310 ( 19.477 0.000 9.525) 21.681 18.522 ( 6.193 0.000 -16.533) 17.654 18.522 ( 6.193 0.000 16.533) 17.654 18.846 ( -10.475 0.000 -17.468) 20.368 18.846 ( -10.475 0.000 17.468) 20.368 19.014 ( -2.918 0.000 -1.814) 3.435 19.014 ( -2.918 0.000 1.814) 3.435 19.684 ( -8.461 0.000 -3.406) 9.121 19.684 ( -8.461 0.000 3.406) 9.121 19.821 ( 14.988 0.000 -8.754) 17.358 19.821 ( 14.988 0.000 8.754) 17.358 20.499 ( -14.010 0.000 -6.677) 15.520 20.499 ( -14.010 0.000 6.677) 15.520 21.139 ( 5.109 0.000 -4.473) 6.791 21.139 ( 5.109 0.000 4.473) 6.791 21.816 ( 0.455 0.000 -3.239) 3.270 21.816 ( 0.455 0.000 3.239) 3.270 21.853 ( 9.233 0.000 -10.699) 14.132 21.853 ( 9.233 0.000 10.699) 14.132 22.063 ( -0.969 0.000 -14.320) 14.353 22.063 ( -0.969 0.000 14.320) 14.353 22.455 ( 0.779 0.000 -8.481) 8.517 22.455 ( 0.779 0.000 8.481) 8.517 23.893 ( 7.183 0.000 -7.292) 10.236 23.893 ( 7.183 0.000 7.292) 10.236 24.370 ( -1.246 0.000 -1.435) 1.900 24.370 ( -1.246 0.000 1.435) 1.900 24.887 ( -0.541 0.000 -1.077) 1.205 24.887 ( -0.541 0.000 1.077) 1.205 24.974 ( -4.670 0.000 -5.795) 7.442 24.974 ( -4.670 0.000 5.795) 7.442 26.244 ( 19.773 0.000 -10.212) 22.254 26.244 ( 19.773 0.000 10.212) 22.254 26.421 ( -10.297 0.000 -13.625) 17.079 26.421 ( -10.297 0.000 13.625) 17.079 27.462 ( -21.289 0.000 -9.551) 23.334 27.462 ( -21.289 0.000 9.551) 23.334 27.646 ( -5.490 0.000 -6.224) 8.300 27.646 ( -5.490 0.000 6.224) 8.300 28.899 ( -5.220 0.000 -2.734) 5.893 28.899 ( -5.220 0.000 2.734) 5.893 29.844 ( 5.672 0.000 -2.021) 6.021 29.844 ( 5.672 0.000 2.021) 6.021 30.069 ( 3.723 0.000 -3.599) 5.178 30.069 ( 3.723 0.000 3.599) 5.178 30.581 ( 2.667 0.000 -2.437) 3.613 30.581 ( 2.667 0.000 2.437) 3.613 30.728 ( 14.855 0.000 -14.245) 20.581 30.728 ( 14.855 0.000 14.245) 20.581 30.798 ( -5.858 0.000 -4.886) 7.628 30.798 ( -5.858 0.000 4.886) 7.628 31.367 ( -8.478 0.000 -16.711) 18.738 31.367 ( -8.478 0.000 16.711) 18.738 31.374 ( 4.164 0.000 -4.883) 6.417 31.374 ( 4.164 0.000 4.883) 6.417 33.389 ( -0.977 0.000 -5.600) 5.685 33.389 ( -0.977 0.000 5.600) 5.685 33.511 ( 5.903 0.000 -3.991) 7.126 33.511 ( 5.903 0.000 3.991) 7.126 33.769 ( 13.533 0.000 -10.725) 17.267 33.769 ( 13.533 0.000 10.725) 17.267 34.352 ( -7.056 0.000 -10.091) 12.313 34.352 ( -7.056 0.000 10.091) 12.313 35.284 ( -4.761 0.000 -7.158) 8.596 35.284 ( -4.761 0.000 7.158) 8.596 35.404 ( -7.009 0.000 -10.892) 12.952 35.404 ( -7.009 0.000 10.892) 12.952 36.220 ( 0.340 0.000 -1.161) 1.210 36.220 ( 0.340 0.000 1.161) 1.210 36.393 ( 1.236 0.000 -3.192) 3.423 36.393 ( 1.236 0.000 3.192) 3.423 ======================= Grid point 216 (76/84) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.970 ( -0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.546 ( -0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.857 ( -0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 6.313 ( 0.000 0.000 0.000) 0.000 6.313 ( 0.000 0.000 0.000) 0.000 7.072 ( -0.000 0.000 0.000) 0.000 7.072 ( 0.000 0.000 0.000) 0.000 7.097 ( 0.000 0.000 0.000) 0.000 7.097 ( 0.000 0.000 0.000) 0.000 7.982 ( 0.000 0.000 0.000) 0.000 7.982 ( 0.000 0.000 0.000) 0.000 8.276 ( -0.000 0.000 0.000) 0.000 8.276 ( -0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 -0.000) 0.000 8.368 ( -0.000 0.000 0.000) 0.000 9.356 ( -0.000 0.000 0.000) 0.000 9.356 ( 0.000 0.000 0.000) 0.000 9.623 ( 0.000 0.000 -0.000) 0.000 9.623 ( 0.000 0.000 0.000) 0.000 9.693 ( 0.000 0.000 -0.000) 0.000 9.693 ( -0.000 0.000 0.000) 0.000 9.698 ( -0.000 0.000 0.000) 0.000 9.698 ( 0.000 0.000 0.000) 0.000 9.992 ( -0.000 0.000 0.000) 0.000 9.992 ( 0.000 0.000 0.000) 0.000 11.350 ( 0.000 0.000 0.000) 0.000 11.350 ( 0.000 0.000 0.000) 0.000 11.772 ( -0.000 0.000 -0.000) 0.000 11.772 ( 0.000 0.000 0.000) 0.000 11.951 ( -0.000 0.000 0.000) 0.000 11.951 ( 0.000 0.000 0.000) 0.000 11.970 ( 0.000 0.000 0.000) 0.000 11.970 ( 0.000 0.000 0.000) 0.000 12.721 ( -0.000 0.000 -0.000) 0.000 12.721 ( 0.000 0.000 0.000) 0.000 12.782 ( 0.000 0.000 -0.000) 0.000 12.782 ( -0.000 0.000 0.000) 0.000 13.514 ( 0.000 0.000 0.000) 0.000 13.514 ( 0.000 0.000 0.000) 0.000 13.529 ( 0.000 0.000 0.000) 0.000 13.529 ( 0.000 0.000 0.000) 0.000 14.394 ( 0.000 0.000 0.000) 0.000 14.394 ( 0.000 0.000 0.000) 0.000 14.886 ( 0.000 0.000 0.000) 0.000 14.886 ( 0.000 0.000 0.000) 0.000 15.330 ( -0.000 0.000 0.000) 0.000 15.330 ( 0.000 0.000 0.000) 0.000 16.245 ( 0.000 0.000 -0.000) 0.000 16.245 ( 0.000 0.000 0.000) 0.001 16.252 ( -0.000 0.000 -0.000) 0.001 16.252 ( -0.000 0.000 0.000) 0.000 16.341 ( 0.000 0.000 0.000) 0.000 16.341 ( 0.000 0.000 0.000) 0.000 16.947 ( 0.000 0.000 0.000) 0.000 16.947 ( 0.000 0.000 0.000) 0.000 17.198 ( 0.000 0.000 0.000) 0.000 17.198 ( 0.000 0.000 0.000) 0.000 17.239 ( -0.000 0.000 -0.000) 0.000 17.239 ( 0.000 0.000 0.000) 0.000 18.531 ( 0.000 0.000 0.000) 0.000 18.531 ( 0.000 0.000 0.000) 0.000 18.654 ( -0.000 0.000 -0.000) 0.000 18.654 ( -0.000 0.000 0.000) 0.000 18.672 ( 0.000 0.000 -0.000) 0.000 18.672 ( 0.000 0.000 0.000) 0.000 18.956 ( -0.000 0.000 -0.000) 0.000 18.956 ( 0.000 0.000 0.000) 0.000 19.598 ( 0.000 0.000 0.000) 0.000 19.598 ( 0.000 0.000 0.000) 0.000 20.015 ( -0.000 0.000 0.000) 0.000 20.015 ( 0.000 0.000 0.000) 0.000 20.314 ( -0.000 0.000 0.000) 0.000 20.314 ( 0.000 0.000 0.000) 0.000 21.190 ( 0.000 0.000 0.000) 0.000 21.190 ( 0.000 0.000 0.000) 0.000 21.821 ( 0.000 0.000 0.000) 0.000 21.821 ( 0.000 0.000 0.000) 0.000 21.974 ( 0.000 0.000 -0.000) 0.000 21.974 ( 0.000 0.000 0.000) 0.000 22.023 ( -0.000 0.000 -0.000) 0.000 22.023 ( 0.000 0.000 0.000) 0.000 22.462 ( 0.000 0.000 -0.000) 0.000 22.462 ( 0.000 0.000 0.000) 0.000 23.969 ( -0.000 0.000 0.000) 0.000 23.969 ( 0.000 0.000 0.000) 0.000 24.356 ( 0.000 0.000 0.000) 0.000 24.356 ( 0.000 0.000 0.000) 0.000 24.881 ( -0.000 0.000 0.000) 0.000 24.881 ( -0.000 0.000 0.000) 0.000 24.932 ( 0.000 0.000 0.000) 0.000 24.932 ( 0.000 0.000 0.000) 0.000 26.314 ( 0.000 0.000 -0.000) 0.000 26.314 ( 0.000 0.000 0.000) 0.000 26.488 ( -0.000 0.000 -0.000) 0.000 26.488 ( -0.000 0.000 0.000) 0.000 27.198 ( -0.000 0.000 0.000) 0.000 27.198 ( 0.000 0.000 0.000) 0.000 27.591 ( 0.000 0.000 0.000) 0.000 27.591 ( 0.000 0.000 0.000) 0.000 28.854 ( 0.000 0.000 0.000) 0.000 28.854 ( 0.000 0.000 0.000) 0.000 29.903 ( 0.000 0.000 0.000) 0.000 29.903 ( 0.000 0.000 0.000) 0.000 30.099 ( 0.000 0.000 0.000) 0.000 30.099 ( 0.000 0.000 0.000) 0.000 30.615 ( -0.000 0.000 -0.000) 0.000 30.615 ( 0.000 0.000 0.000) 0.000 30.731 ( 0.000 0.000 0.000) 0.000 30.731 ( 0.000 0.000 0.000) 0.000 30.907 ( -0.000 0.000 0.000) 0.000 30.907 ( 0.000 0.000 0.000) 0.000 31.253 ( -0.000 0.000 -0.000) 0.000 31.253 ( 0.000 0.000 0.000) 0.000 31.415 ( -0.000 0.000 0.000) 0.000 31.415 ( 0.000 0.000 0.000) 0.000 33.379 ( 0.000 0.000 -0.000) 0.000 33.379 ( 0.000 0.000 0.000) 0.000 33.573 ( 0.000 0.000 -0.000) 0.000 33.573 ( 0.000 0.000 0.000) 0.000 33.936 ( -0.000 0.000 -0.000) 0.000 33.936 ( 0.000 0.000 0.000) 0.000 34.252 ( 0.000 0.000 -0.000) 0.000 34.252 ( 0.000 0.000 0.000) 0.000 35.234 ( 0.000 0.000 0.000) 0.000 35.234 ( 0.000 0.000 0.000) 0.000 35.331 ( 0.000 0.000 0.000) 0.000 35.331 ( 0.000 0.000 0.000) 0.000 36.224 ( 0.000 0.000 0.000) 0.000 36.224 ( 0.000 0.000 0.000) 0.000 36.405 ( 0.000 0.000 0.000) 0.000 36.405 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (77/84) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.808 ( 0.000 1.999 -0.302) 2.021 2.808 ( 0.000 1.999 0.302) 2.021 2.972 ( 0.000 3.622 -1.449) 3.901 2.972 ( 0.000 3.622 1.449) 3.901 3.089 ( 0.000 0.616 -0.237) 0.660 3.089 ( 0.000 0.616 0.237) 0.660 3.125 ( 0.000 2.392 -1.280) 2.713 3.125 ( 0.000 2.392 1.280) 2.713 3.447 ( 0.000 -2.474 -0.278) 2.490 3.447 ( 0.000 -2.474 0.278) 2.490 3.824 ( 0.000 2.147 -5.693) 6.084 3.824 ( 0.000 2.147 5.693) 6.084 5.374 ( 0.000 12.534 -1.113) 12.583 5.374 ( 0.000 12.534 1.113) 12.583 6.185 ( 0.000 0.794 -8.571) 8.608 6.185 ( 0.000 0.794 8.571) 8.608 6.374 ( 0.000 -9.951 -7.731) 12.602 6.374 ( 0.000 -9.951 7.731) 12.602 6.592 ( 0.000 -3.248 -3.237) 4.586 6.592 ( 0.000 -3.248 3.237) 4.586 6.939 ( 0.000 5.344 -17.519) 18.316 6.939 ( 0.000 5.344 17.519) 18.316 7.542 ( 0.000 -20.589 -2.205) 20.706 7.542 ( 0.000 -20.589 2.205) 20.706 8.070 ( 0.000 -5.131 -3.917) 6.455 8.070 ( 0.000 -5.131 3.917) 6.455 8.337 ( 0.000 3.208 -1.496) 3.540 8.337 ( 0.000 3.208 1.496) 3.540 8.909 ( 0.000 23.904 -0.923) 23.922 8.909 ( 0.000 23.904 0.923) 23.922 9.330 ( 0.000 -7.282 -3.584) 8.116 9.330 ( 0.000 -7.282 3.584) 8.116 10.046 ( 0.000 10.238 -4.670) 11.253 10.046 ( 0.000 10.238 4.670) 11.253 10.493 ( 0.000 -4.988 -6.866) 8.487 10.493 ( 0.000 -4.988 6.866) 8.487 11.004 ( 0.000 2.692 -8.674) 9.082 11.004 ( 0.000 2.692 8.674) 9.082 11.127 ( 0.000 -6.111 -15.125) 16.313 11.127 ( 0.000 -6.111 15.125) 16.313 11.587 ( 0.000 -9.428 -14.505) 17.300 11.587 ( 0.000 -9.428 14.505) 17.300 12.019 ( 0.000 -5.241 -8.537) 10.017 12.019 ( 0.000 -5.241 8.537) 10.017 12.124 ( 0.000 11.221 -11.708) 16.217 12.124 ( 0.000 11.221 11.708) 16.217 12.438 ( 0.000 5.531 -15.001) 15.988 12.438 ( 0.000 5.531 15.001) 15.988 13.185 ( 0.000 -13.893 -13.298) 19.232 13.185 ( 0.000 -13.893 13.298) 19.232 13.434 ( 0.000 -11.325 -1.929) 11.488 13.434 ( 0.000 -11.325 1.929) 11.488 13.670 ( 0.000 6.446 -4.030) 7.603 13.670 ( 0.000 6.446 4.030) 7.603 14.077 ( 0.000 -14.794 -4.352) 15.421 14.077 ( 0.000 -14.794 4.352) 15.421 14.844 ( 0.000 20.060 -7.969) 21.585 14.844 ( 0.000 20.060 7.969) 21.585 15.238 ( 0.000 28.358 -1.044) 28.378 15.238 ( 0.000 28.358 1.044) 28.378 15.819 ( 0.000 6.823 -2.674) 7.328 15.819 ( 0.000 6.823 2.674) 7.328 16.042 ( 0.000 -12.521 -4.424) 13.280 16.042 ( 0.000 -12.521 4.424) 13.280 16.684 ( 0.000 -4.467 -15.737) 16.359 16.684 ( 0.000 -4.467 15.737) 16.359 17.198 ( 0.000 -7.728 -4.254) 8.821 17.198 ( 0.000 -7.728 4.254) 8.821 17.296 ( 0.000 -8.870 -5.291) 10.328 17.296 ( 0.000 -8.870 5.291) 10.328 17.603 ( 0.000 -5.599 -9.919) 11.390 17.603 ( 0.000 -5.599 9.919) 11.390 17.955 ( 0.000 12.029 -18.521) 22.084 17.955 ( 0.000 12.029 18.521) 22.084 18.405 ( 0.000 0.288 -2.748) 2.763 18.405 ( 0.000 0.288 2.748) 2.763 19.083 ( 0.000 3.824 -9.289) 10.045 19.083 ( 0.000 3.824 9.289) 10.045 19.131 ( 0.000 -4.287 -1.907) 4.692 19.131 ( 0.000 -4.287 1.907) 4.692 19.271 ( 0.000 -6.792 -20.034) 21.154 19.271 ( 0.000 -6.792 20.034) 21.154 20.011 ( 0.000 5.532 -4.120) 6.898 20.011 ( 0.000 5.532 4.120) 6.898 20.668 ( 0.000 -11.688 -5.712) 13.010 20.668 ( 0.000 -11.688 5.712) 13.010 21.184 ( 0.000 13.586 -11.032) 17.501 21.184 ( 0.000 13.586 11.032) 17.501 21.515 ( 0.000 -3.588 -8.559) 9.280 21.515 ( 0.000 -3.588 8.559) 9.280 21.844 ( 0.000 -0.193 -3.086) 3.092 21.844 ( 0.000 -0.193 3.086) 3.092 22.084 ( 0.000 5.450 -11.579) 12.797 22.084 ( 0.000 5.450 11.579) 12.797 22.447 ( 0.000 1.683 -16.322) 16.408 22.447 ( 0.000 1.683 16.322) 16.408 23.579 ( 0.000 -10.039 -11.214) 15.051 23.579 ( 0.000 -10.039 11.214) 15.051 24.410 ( 0.000 -0.284 -3.031) 3.044 24.410 ( 0.000 -0.284 3.031) 3.044 24.875 ( 0.000 -1.711 -0.937) 1.950 24.875 ( 0.000 -1.711 0.937) 1.950 25.397 ( 0.000 18.903 -18.231) 26.262 25.397 ( 0.000 18.903 18.231) 26.262 25.741 ( 0.000 4.817 -3.708) 6.079 25.741 ( 0.000 4.817 3.708) 6.079 26.661 ( 0.000 -6.312 -21.869) 22.762 26.661 ( 0.000 -6.312 21.869) 22.762 27.506 ( 0.000 -28.633 -5.869) 29.228 27.506 ( 0.000 -28.633 5.869) 29.228 28.098 ( 0.000 13.262 -5.224) 14.254 28.098 ( 0.000 13.262 5.224) 14.254 29.393 ( 0.000 9.656 -8.861) 13.106 29.393 ( 0.000 9.656 8.861) 13.106 29.646 ( 0.000 -1.833 -2.190) 2.855 29.646 ( 0.000 -1.833 2.190) 2.855 29.745 ( 0.000 0.933 -10.180) 10.223 29.745 ( 0.000 0.933 10.180) 10.223 30.338 ( 0.000 -5.053 -2.955) 5.853 30.338 ( 0.000 -5.053 2.955) 5.853 30.541 ( 0.000 2.615 -5.296) 5.907 30.541 ( 0.000 2.615 5.296) 5.907 30.878 ( 0.000 -11.117 -7.481) 13.400 30.878 ( 0.000 -11.117 7.481) 13.400 31.212 ( 0.000 4.672 -2.749) 5.421 31.212 ( 0.000 4.672 2.749) 5.421 31.616 ( 0.000 2.284 -4.841) 5.353 31.616 ( 0.000 2.284 4.841) 5.353 33.339 ( 0.000 -0.154 -1.240) 1.250 33.339 ( 0.000 -0.154 1.240) 1.250 33.423 ( 0.000 1.151 -5.732) 5.847 33.423 ( 0.000 1.151 5.732) 5.847 33.546 ( 0.000 10.796 -5.879) 12.293 33.546 ( 0.000 10.796 5.879) 12.293 34.399 ( 0.000 -10.291 -8.779) 13.527 34.399 ( 0.000 -10.291 8.779) 13.527 35.428 ( 0.000 0.663 -10.760) 10.781 35.428 ( 0.000 0.663 10.760) 10.781 35.599 ( 0.000 -0.927 -14.052) 14.082 35.599 ( 0.000 -0.927 14.052) 14.082 36.235 ( 0.000 2.335 -3.619) 4.307 36.235 ( 0.000 2.335 3.619) 4.307 36.344 ( 0.000 -0.306 -1.840) 1.865 36.344 ( 0.000 -0.306 1.840) 1.865 ======================= Grid point 226 (78/84) ======================= q-point: ( 0.17 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 0.252 1.929 -0.844) 2.120 2.811 ( 0.252 1.929 0.844) 2.120 2.969 ( -0.316 2.428 -1.839) 3.062 2.969 ( -0.316 2.428 1.839) 3.062 3.092 ( 0.126 0.908 -0.952) 1.321 3.092 ( 0.126 0.908 0.952) 1.321 3.140 ( 1.650 2.471 -2.328) 3.775 3.140 ( 1.650 2.471 2.328) 3.775 3.461 ( 1.554 -2.067 -1.759) 3.128 3.461 ( 1.554 -2.067 1.759) 3.128 3.793 ( -3.212 1.892 -5.221) 6.415 3.793 ( -3.212 1.892 5.221) 6.415 5.432 ( 6.167 12.672 -1.201) 14.144 5.432 ( 6.167 12.672 1.201) 14.144 6.187 ( -0.796 -1.405 -10.242) 10.368 6.187 ( -0.796 -1.405 10.242) 10.368 6.398 ( -1.001 2.694 -6.270) 6.897 6.398 ( -1.001 2.694 6.270) 6.897 6.607 ( 5.332 -8.815 -4.381) 11.195 6.607 ( 5.332 -8.815 4.381) 11.195 6.907 ( 0.097 -4.912 -7.057) 8.599 6.907 ( 0.097 -4.912 7.057) 8.599 7.740 ( 13.966 -12.554 -8.520) 20.622 7.740 ( 13.966 -12.554 8.520) 20.622 8.035 ( -1.489 -8.665 -1.531) 8.924 8.035 ( -1.489 -8.665 1.531) 8.924 8.433 ( 10.570 6.413 -3.331) 12.804 8.433 ( 10.570 6.413 3.331) 12.804 8.960 ( 5.988 22.885 -3.464) 23.908 8.960 ( 5.988 22.885 3.464) 23.908 9.260 ( -7.914 -13.949 -6.229) 17.205 9.260 ( -7.914 -13.949 6.229) 17.205 9.895 ( -8.908 16.575 -10.905) 21.749 9.895 ( -8.908 16.575 10.905) 21.749 10.525 ( -5.225 -3.581 -8.648) 10.720 10.525 ( -5.225 -3.581 8.648) 10.720 10.821 ( -18.183 3.751 -6.907) 19.809 10.821 ( -18.183 3.751 6.907) 19.809 11.142 ( 4.844 -9.742 -18.715) 21.648 11.142 ( 4.844 -9.742 18.715) 21.648 11.589 ( -2.548 -8.102 -8.168) 11.784 11.589 ( -2.548 -8.102 8.168) 11.784 12.014 ( 1.230 5.366 -9.237) 10.753 12.014 ( 1.230 5.366 9.237) 10.753 12.136 ( 0.293 -1.916 -10.509) 10.687 12.136 ( 0.293 -1.916 10.509) 10.687 12.434 ( 0.296 5.248 -15.299) 16.177 12.434 ( 0.296 5.248 15.299) 16.177 13.072 ( -10.639 -13.007 -16.500) 23.550 13.072 ( -10.639 -13.007 16.500) 23.550 13.436 ( 0.545 -8.325 -2.977) 8.858 13.436 ( 0.545 -8.325 2.977) 8.858 13.646 ( -2.050 6.592 -4.864) 8.444 13.646 ( -2.050 6.592 4.864) 8.444 14.158 ( 6.753 -14.753 -4.247) 16.772 14.158 ( 6.753 -14.753 4.247) 16.772 14.901 ( 5.590 20.096 -6.936) 21.981 14.901 ( 5.590 20.096 6.936) 21.981 15.305 ( 6.780 26.828 -3.195) 27.855 15.305 ( 6.780 26.828 3.195) 27.855 15.884 ( 6.755 5.428 -5.062) 10.036 15.884 ( 6.755 5.428 5.062) 10.036 16.073 ( 3.278 -12.709 -4.087) 13.747 16.073 ( 3.278 -12.709 4.087) 13.747 16.704 ( 0.701 -4.995 -11.412) 12.477 16.704 ( 0.701 -4.995 11.412) 12.477 16.922 ( -15.547 -0.236 -9.076) 18.004 16.922 ( -15.547 -0.236 9.076) 18.004 17.419 ( -4.915 -9.916 -6.500) 12.835 17.419 ( -4.915 -9.916 6.500) 12.835 17.590 ( 3.325 -7.578 -2.042) 8.524 17.590 ( 3.325 -7.578 2.042) 8.524 17.899 ( -3.426 4.828 -17.988) 18.937 17.899 ( -3.426 4.828 17.988) 18.937 18.511 ( 10.650 4.368 -3.762) 12.110 18.511 ( 10.650 4.368 3.762) 12.110 18.905 ( -12.998 -7.461 -6.030) 16.155 18.905 ( -12.998 -7.461 6.030) 16.155 19.149 ( 1.241 6.099 -5.084) 8.036 19.149 ( 1.241 6.099 5.084) 8.036 19.437 ( 11.133 -7.253 -11.284) 17.432 19.437 ( 11.133 -7.253 11.284) 17.432 19.972 ( -2.874 7.965 -3.585) 9.195 19.972 ( -2.874 7.965 3.585) 9.195 20.624 ( -5.653 -8.683 -5.027) 11.516 20.624 ( -5.653 -8.683 5.027) 11.516 21.144 ( -2.002 8.046 -9.768) 12.812 21.144 ( -2.002 8.046 9.768) 12.812 21.592 ( 6.065 -3.455 -6.332) 9.424 21.592 ( 6.065 -3.455 6.332) 9.424 21.858 ( 1.603 -0.567 -3.576) 3.960 21.858 ( 1.603 -0.567 3.576) 3.960 22.115 ( 3.228 7.140 -10.604) 13.185 22.115 ( 3.228 7.140 10.604) 13.185 22.462 ( 1.423 2.255 -14.220) 14.468 22.462 ( 1.423 2.255 14.220) 14.468 23.641 ( 6.269 -10.079 -9.897) 15.454 23.641 ( 6.269 -10.079 9.897) 15.454 24.375 ( -3.681 -2.751 -1.842) 4.951 24.375 ( -3.681 -2.751 1.842) 4.951 24.886 ( 1.374 -0.037 -0.969) 1.682 24.886 ( 1.374 -0.037 0.969) 1.682 25.294 ( -7.176 19.103 -11.430) 23.390 25.294 ( -7.176 19.103 11.430) 23.390 25.923 ( 14.984 3.804 -6.332) 16.706 25.923 ( 14.984 3.804 6.332) 16.706 26.588 ( -6.831 -3.640 -19.235) 20.734 26.588 ( -6.831 -3.640 19.235) 20.734 27.438 ( -6.379 -29.178 -6.372) 30.539 27.438 ( -6.379 -29.178 6.372) 30.539 27.938 ( -16.426 10.854 -7.086) 20.924 27.938 ( -16.426 10.854 7.086) 20.924 29.221 ( -10.588 12.718 -8.050) 18.403 29.221 ( -10.588 12.718 8.050) 18.403 29.733 ( 6.787 0.264 -2.318) 7.177 29.733 ( 6.787 0.264 2.318) 7.177 29.908 ( 10.610 -2.242 -10.702) 15.236 29.908 ( 10.610 -2.242 10.702) 15.236 30.399 ( 6.432 -7.169 -6.781) 11.779 30.399 ( 6.432 -7.169 6.781) 11.779 30.570 ( 3.058 2.444 -4.230) 5.764 30.570 ( 3.058 2.444 4.230) 5.764 30.831 ( -4.105 -8.274 -7.012) 11.596 30.831 ( -4.105 -8.274 7.012) 11.596 31.251 ( 3.456 2.805 -2.903) 5.314 31.251 ( 3.456 2.805 2.903) 5.314 31.585 ( -3.013 3.529 -6.666) 8.122 31.585 ( -3.013 3.529 6.666) 8.122 33.399 ( 5.838 0.257 -6.120) 8.462 33.399 ( 5.838 0.257 6.120) 8.462 33.470 ( 2.593 4.507 -8.079) 9.607 33.470 ( 2.593 4.507 8.079) 9.607 33.577 ( 5.623 6.465 -1.579) 8.712 33.577 ( 5.623 6.465 1.579) 8.712 34.364 ( -3.690 -9.933 -9.219) 14.045 34.364 ( -3.690 -9.933 9.219) 14.045 35.383 ( -4.469 0.526 -9.619) 10.619 35.383 ( -4.469 0.526 9.619) 10.619 35.534 ( -6.476 -0.753 -13.211) 14.732 35.534 ( -6.476 -0.753 13.211) 14.732 36.239 ( 0.442 2.467 -2.801) 3.758 36.239 ( 0.442 2.467 2.801) 3.758 36.359 ( 1.405 -0.546 -3.174) 3.513 36.359 ( 1.405 -0.546 3.174) 3.513 ======================= Grid point 228 (79/84) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 0.122 2.234 -0.853) 2.395 2.815 ( 0.122 2.234 0.853) 2.395 2.963 ( -0.305 0.105 -1.357) 1.395 2.963 ( -0.305 0.105 1.357) 1.395 3.092 ( -0.052 2.384 -0.581) 2.454 3.092 ( -0.052 2.384 0.581) 2.454 3.175 ( 1.687 1.175 -1.947) 2.832 3.175 ( 1.687 1.175 1.947) 2.832 3.507 ( 3.283 -0.680 -2.697) 4.302 3.507 ( 3.283 -0.680 2.697) 4.302 3.715 ( -4.844 0.983 -4.056) 6.394 3.715 ( -4.844 0.983 4.056) 6.394 5.591 ( 10.384 12.255 -2.049) 16.193 5.591 ( 10.384 12.255 2.049) 16.193 6.087 ( -9.979 2.765 -6.856) 12.419 6.087 ( -9.979 2.765 6.856) 12.419 6.375 ( 0.649 8.325 -5.160) 9.816 6.375 ( 0.649 8.325 5.160) 9.816 6.752 ( 5.572 -14.634 -6.216) 16.848 6.752 ( 5.572 -14.634 6.216) 16.848 7.020 ( 13.177 -9.313 -4.583) 16.774 7.020 ( 13.177 -9.313 4.583) 16.774 7.730 ( -11.702 -15.550 -12.438) 23.097 7.730 ( -11.702 -15.550 12.438) 23.097 8.189 ( 12.915 0.154 -11.352) 17.196 8.189 ( 12.915 0.154 11.352) 17.196 8.654 ( 5.324 9.716 -9.498) 14.593 8.654 ( 5.324 9.716 9.498) 14.593 9.080 ( 8.542 -4.313 -11.610) 15.045 9.080 ( 8.542 -4.313 11.610) 15.045 9.239 ( 14.670 5.597 -10.932) 19.133 9.239 ( 14.670 5.597 10.932) 19.133 9.805 ( -3.429 12.620 -4.737) 13.909 9.805 ( -3.429 12.620 4.737) 13.909 10.219 ( -24.304 1.932 -13.605) 27.920 10.219 ( -24.304 1.932 13.605) 27.920 10.407 ( -24.299 5.901 -5.530) 25.609 10.407 ( -24.299 5.901 5.530) 25.609 11.292 ( 7.823 -14.540 -13.935) 21.605 11.292 ( 7.823 -14.540 13.935) 21.605 11.486 ( -5.736 -4.803 -3.926) 8.449 11.486 ( -5.736 -4.803 3.926) 8.449 12.026 ( -2.116 7.234 -8.329) 11.233 12.026 ( -2.116 7.234 8.329) 11.233 12.164 ( 3.855 -1.733 -12.019) 12.740 12.164 ( 3.855 -1.733 12.019) 12.740 12.466 ( 2.979 -6.104 -9.340) 11.548 12.466 ( 2.979 -6.104 9.340) 11.548 12.864 ( -10.236 -5.667 -15.412) 19.350 12.864 ( -10.236 -5.667 15.412) 19.350 13.453 ( 0.938 -6.541 -2.932) 7.230 13.453 ( 0.938 -6.541 2.932) 7.230 13.611 ( -1.473 7.509 -4.443) 8.849 13.611 ( -1.473 7.509 4.443) 8.849 14.266 ( 4.150 -12.885 -2.466) 13.759 14.266 ( 4.150 -12.885 2.466) 13.759 15.015 ( 5.581 19.957 -4.682) 21.245 15.015 ( 5.581 19.957 4.682) 21.246 15.455 ( 8.164 23.179 -4.241) 24.938 15.455 ( 8.164 23.179 4.241) 24.938 16.044 ( 9.141 0.072 -9.960) 13.519 16.044 ( 9.141 0.072 9.960) 13.519 16.151 ( 5.083 -10.617 -3.159) 12.188 16.151 ( 5.083 -10.617 3.159) 12.188 16.546 ( -14.497 0.271 -11.774) 18.678 16.546 ( -14.497 0.271 11.774) 18.678 16.836 ( 2.661 -2.871 -9.556) 10.327 16.836 ( 2.661 -2.871 9.556) 10.327 17.257 ( -7.246 -5.175 -8.866) 12.566 17.257 ( -7.246 -5.175 8.866) 12.566 17.507 ( -11.703 7.478 -7.565) 15.815 17.507 ( -11.703 7.478 7.565) 15.815 17.974 ( 9.441 -20.093 -4.286) 22.610 17.974 ( 9.441 -20.093 4.286) 22.610 18.640 ( -10.466 -14.722 -12.918) 22.207 18.640 ( -10.466 -14.722 12.918) 22.207 18.777 ( 12.553 12.740 -6.914) 19.175 18.777 ( 12.553 12.740 6.914) 19.175 19.147 ( -2.467 8.635 -5.603) 10.585 19.147 ( -2.467 8.635 5.603) 10.585 19.564 ( 1.183 -5.371 -4.652) 7.203 19.564 ( 1.183 -5.371 4.652) 7.203 19.994 ( 7.329 8.050 -5.636) 12.259 19.994 ( 7.329 8.050 5.636) 12.259 20.452 ( -12.230 -1.238 -5.389) 13.422 20.452 ( -12.230 -1.238 5.389) 13.422 21.142 ( 1.099 -1.708 -4.858) 5.265 21.142 ( 1.099 -1.708 4.858) 5.265 21.681 ( 3.003 -4.243 -2.540) 5.785 21.681 ( 3.003 -4.243 2.540) 5.785 21.902 ( 2.703 -2.611 -3.543) 5.165 21.902 ( 2.703 -2.611 3.543) 5.165 22.188 ( 3.993 11.779 -6.800) 14.175 22.188 ( 3.993 11.779 6.800) 14.175 22.486 ( 0.832 2.899 -8.678) 9.187 22.486 ( 0.832 2.899 8.678) 9.187 23.783 ( 7.914 -9.266 -6.233) 13.687 23.783 ( 7.914 -9.266 6.233) 13.687 24.284 ( -5.509 -8.597 -0.619) 10.229 24.284 ( -5.509 -8.597 0.619) 10.229 24.931 ( 3.388 4.919 -1.481) 6.154 24.931 ( 3.388 4.919 1.481) 6.154 25.186 ( -4.549 19.458 -5.893) 20.833 25.186 ( -4.549 19.458 5.893) 20.833 26.134 ( 2.770 -6.487 -1.144) 7.146 26.134 ( 2.770 -6.487 1.144) 7.146 26.540 ( 7.575 8.041 -5.434) 12.311 26.540 ( 7.575 8.041 5.434) 12.311 27.308 ( -7.749 -26.411 -6.638) 28.314 27.308 ( -7.749 -26.411 6.638) 28.314 27.561 ( -20.933 4.054 -7.841) 22.718 27.561 ( -20.933 4.054 7.841) 22.718 29.084 ( -4.384 16.648 -3.659) 17.600 29.084 ( -4.384 16.648 3.659) 17.600 29.869 ( 6.926 2.235 -2.476) 7.687 29.869 ( 6.926 2.235 2.476) 7.687 30.028 ( 2.758 -4.556 -4.239) 6.807 30.028 ( 2.758 -4.556 4.239) 6.807 30.516 ( 4.207 -12.685 -7.833) 15.491 30.516 ( 4.207 -12.685 7.833) 15.491 30.636 ( 1.893 -1.627 -3.402) 4.220 30.636 ( 1.893 -1.627 3.402) 4.220 30.786 ( 1.539 -2.105 -3.474) 4.344 30.786 ( 1.539 -2.105 3.474) 4.344 31.305 ( 1.624 2.786 -5.191) 6.111 31.305 ( 1.624 2.786 5.191) 6.111 31.526 ( -2.577 5.671 -4.432) 7.645 31.526 ( -2.577 5.671 4.432) 7.645 33.463 ( -0.456 6.894 -4.172) 8.071 33.463 ( -0.456 6.894 4.172) 8.071 33.535 ( 5.952 3.039 -5.989) 8.974 33.535 ( 5.952 3.039 5.989) 8.974 33.763 ( 12.013 -0.245 -9.562) 15.356 33.763 ( 12.013 -0.245 9.562) 15.356 34.269 ( -6.211 -8.718 -9.588) 14.371 34.269 ( -6.211 -8.718 9.588) 14.371 35.290 ( -4.634 0.499 -6.481) 7.983 35.290 ( -4.634 0.499 6.481) 7.983 35.395 ( -7.255 -0.827 -9.370) 11.879 35.395 ( -7.255 -0.827 9.370) 11.879 36.248 ( 0.412 2.728 -1.408) 3.098 36.248 ( 0.412 2.728 1.408) 3.098 36.384 ( 1.102 -0.947 -2.562) 2.945 36.384 ( 1.102 -0.947 2.562) 2.945 ======================= Grid point 230 (80/84) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 0.000 2.583 0.000) 2.583 2.816 ( 0.000 2.583 0.000) 2.583 2.960 ( 0.000 -1.121 0.000) 1.121 2.960 ( 0.000 -1.121 0.000) 1.121 3.092 ( 0.000 3.307 0.000) 3.307 3.092 ( 0.000 3.307 0.000) 3.307 3.192 ( 0.000 0.166 0.000) 0.166 3.192 ( 0.000 0.166 0.000) 0.166 3.558 ( -0.000 1.324 0.000) 1.324 3.558 ( -0.000 1.324 0.000) 1.324 3.648 ( 0.000 -0.676 0.000) 0.676 3.648 ( 0.000 -0.676 0.000) 0.676 5.747 ( 0.000 10.756 0.000) 10.756 5.747 ( 0.000 10.756 0.000) 10.756 5.929 ( -0.000 7.618 0.000) 7.618 5.929 ( 0.000 7.618 0.000) 7.618 6.390 ( 0.000 7.182 0.000) 7.182 6.390 ( 0.000 7.182 0.000) 7.182 6.793 ( 0.000 -17.119 0.000) 17.119 6.793 ( 0.000 -17.119 0.000) 17.119 7.247 ( 0.000 2.757 -0.000) 2.757 7.247 ( 0.000 2.757 0.000) 2.757 7.529 ( 0.000 -31.801 0.000) 31.801 7.529 ( 0.000 -31.801 0.000) 31.801 8.339 ( -0.000 6.941 -0.000) 6.941 8.339 ( -0.000 6.941 0.000) 6.941 8.603 ( 0.000 9.604 -0.000) 9.604 8.603 ( 0.000 9.604 0.000) 9.604 9.432 ( -0.000 2.037 0.000) 2.037 9.432 ( 0.000 2.037 0.000) 2.037 9.476 ( -0.000 -10.293 -0.000) 10.293 9.476 ( 0.000 -10.293 0.000) 10.293 9.638 ( 0.000 7.625 0.000) 7.625 9.638 ( -0.000 7.625 0.000) 7.625 9.899 ( -0.000 8.460 -0.000) 8.460 9.899 ( 0.000 8.460 0.000) 8.460 10.105 ( 0.000 12.253 -0.000) 12.253 10.105 ( -0.000 12.253 0.000) 12.253 11.342 ( 0.000 -6.648 0.000) 6.648 11.342 ( 0.000 -6.648 0.000) 6.648 11.459 ( 0.000 -13.472 0.000) 13.472 11.459 ( 0.000 -13.472 0.000) 13.472 11.989 ( 0.000 4.053 0.000) 4.053 11.989 ( -0.000 4.053 0.000) 4.053 12.214 ( 0.000 9.407 0.000) 9.407 12.214 ( 0.000 9.407 0.000) 9.407 12.510 ( 0.000 -25.844 0.000) 25.844 12.510 ( 0.000 -25.844 0.000) 25.844 12.751 ( -0.000 6.976 -0.000) 6.976 12.751 ( 0.000 6.976 0.000) 6.976 13.462 ( -0.000 -6.516 -0.000) 6.516 13.462 ( 0.000 -6.516 0.000) 6.516 13.597 ( 0.000 8.258 0.000) 8.258 13.597 ( 0.000 8.258 0.000) 8.258 14.304 ( 0.000 -11.510 0.000) 11.510 14.304 ( 0.000 -11.510 0.000) 11.510 15.072 ( 0.000 19.946 0.000) 19.946 15.072 ( 0.000 19.946 0.000) 19.946 15.546 ( 0.000 21.111 0.000) 21.111 15.546 ( 0.000 21.111 0.000) 21.111 16.130 ( 0.000 -12.214 0.000) 12.214 16.130 ( 0.000 -12.214 0.000) 12.214 16.281 ( 0.000 3.101 -0.000) 3.101 16.281 ( 0.000 3.101 0.000) 3.101 16.329 ( -0.000 -0.942 -0.000) 0.942 16.329 ( -0.000 -0.942 0.000) 0.942 16.858 ( 0.000 -8.280 0.000) 8.280 16.858 ( 0.000 -8.280 0.000) 8.280 17.240 ( 0.000 0.254 -0.000) 0.254 17.240 ( 0.000 0.254 0.000) 0.254 17.325 ( -0.000 9.841 -0.000) 9.841 17.325 ( -0.000 9.841 0.000) 9.841 18.098 ( 0.000 -24.599 0.000) 24.599 18.098 ( 0.000 -24.599 0.000) 24.599 18.497 ( 0.000 -15.560 0.000) 15.560 18.497 ( 0.000 -15.560 0.000) 15.560 19.000 ( -0.000 17.035 0.000) 17.035 19.000 ( 0.000 17.035 0.000) 17.035 19.045 ( 0.000 6.468 -0.000) 6.468 19.045 ( 0.000 6.468 0.000) 6.468 19.553 ( 0.000 -1.564 0.000) 1.564 19.553 ( 0.000 -1.564 0.000) 1.564 20.192 ( -0.000 -12.325 -0.000) 12.325 20.192 ( 0.000 -12.325 0.000) 12.325 20.219 ( -0.000 18.822 0.000) 18.822 20.219 ( 0.000 18.822 0.000) 18.822 21.156 ( 0.000 -5.711 0.000) 5.711 21.156 ( 0.000 -5.711 0.000) 5.711 21.706 ( 0.000 -4.183 0.000) 4.183 21.706 ( 0.000 -4.183 0.000) 4.183 21.931 ( 0.000 -4.319 0.000) 4.319 21.931 ( 0.000 -4.319 0.000) 4.319 22.232 ( 0.000 14.852 -0.000) 14.852 22.232 ( 0.000 14.852 0.000) 14.852 22.492 ( 0.000 2.721 -0.000) 2.721 22.492 ( 0.000 2.721 0.000) 2.721 23.873 ( -0.000 -7.284 0.000) 7.284 23.873 ( 0.000 -7.284 0.000) 7.284 24.218 ( 0.000 -13.113 0.000) 13.113 24.218 ( 0.000 -13.113 0.000) 13.113 24.979 ( 0.000 9.373 0.000) 9.373 24.979 ( -0.000 9.373 0.000) 9.373 25.134 ( 0.000 17.737 0.000) 17.737 25.134 ( 0.000 17.737 0.000) 17.737 26.110 ( 0.000 -10.610 0.000) 10.610 26.110 ( 0.000 -10.610 0.000) 10.610 26.737 ( -0.000 16.966 0.000) 16.966 26.737 ( -0.000 16.966 0.000) 16.966 27.141 ( 0.000 -12.436 0.000) 12.436 27.141 ( 0.000 -12.436 0.000) 12.436 27.362 ( 0.000 -15.627 0.000) 15.627 27.362 ( 0.000 -15.627 0.000) 15.627 29.046 ( 0.000 17.872 0.000) 17.872 29.046 ( 0.000 17.872 0.000) 17.872 29.945 ( 0.000 4.429 0.000) 4.429 29.945 ( 0.000 4.429 0.000) 4.429 30.045 ( -0.000 -6.519 0.000) 6.519 30.045 ( 0.000 -6.519 0.000) 6.519 30.550 ( 0.000 -18.171 0.000) 18.171 30.550 ( 0.000 -18.171 0.000) 18.171 30.633 ( -0.000 2.029 -0.000) 2.029 30.633 ( -0.000 2.029 0.000) 2.029 30.835 ( 0.000 -4.177 0.000) 4.177 30.835 ( 0.000 -4.177 0.000) 4.177 31.313 ( -0.000 6.061 0.000) 6.061 31.313 ( 0.000 6.061 0.000) 6.061 31.504 ( 0.000 5.475 0.000) 5.475 31.504 ( -0.000 5.475 0.000) 5.475 33.454 ( 0.000 7.887 -0.000) 7.887 33.454 ( 0.000 7.887 0.000) 7.887 33.599 ( 0.000 2.754 -0.000) 2.754 33.599 ( 0.000 2.754 0.000) 2.754 33.913 ( -0.000 -2.276 -0.000) 2.276 33.913 ( 0.000 -2.276 0.000) 2.276 34.182 ( 0.000 -7.489 -0.000) 7.489 34.182 ( 0.000 -7.489 0.000) 7.489 35.243 ( 0.000 0.912 0.000) 0.912 35.243 ( 0.000 0.912 0.000) 0.912 35.317 ( -0.000 -1.390 0.000) 1.390 35.317 ( 0.000 -1.390 0.000) 1.390 36.252 ( 0.000 2.855 0.000) 2.855 36.252 ( 0.000 2.855 0.000) 2.855 36.395 ( 0.000 -1.119 0.000) 1.119 36.395 ( 0.000 -1.119 0.000) 1.119 ======================= Grid point 238 (81/84) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 0.000 1.078 -0.107) 1.083 2.839 ( 0.000 1.078 0.107) 1.083 3.011 ( 0.000 0.550 -0.108) 0.560 3.011 ( 0.000 0.550 0.108) 0.560 3.109 ( 0.000 0.766 -0.390) 0.859 3.109 ( 0.000 0.766 0.390) 0.859 3.201 ( 0.000 4.969 -0.500) 4.994 3.201 ( 0.000 4.969 0.500) 4.994 3.386 ( 0.000 -3.659 -0.096) 3.660 3.386 ( 0.000 -3.659 0.096) 3.660 3.860 ( 0.000 1.305 -2.103) 2.476 3.860 ( 0.000 1.305 2.103) 2.476 5.691 ( 0.000 21.028 -4.355) 21.474 5.691 ( 0.000 21.028 4.355) 21.474 6.098 ( 0.000 -18.766 -8.717) 20.691 6.098 ( 0.000 -18.766 8.717) 20.691 6.195 ( 0.000 -1.342 -5.542) 5.702 6.195 ( 0.000 -1.342 5.542) 5.702 6.551 ( 0.000 -0.145 -1.721) 1.727 6.551 ( 0.000 -0.145 1.721) 1.727 6.958 ( 0.000 -3.093 -4.586) 5.531 6.958 ( 0.000 -3.093 4.586) 5.531 7.340 ( 0.000 -1.884 -5.558) 5.868 7.340 ( 0.000 -1.884 5.558) 5.868 8.022 ( 0.000 0.302 -0.062) 0.309 8.022 ( 0.000 0.302 0.063) 0.309 8.315 ( 0.000 -3.867 -2.552) 4.633 8.315 ( 0.000 -3.867 2.552) 4.633 9.183 ( 0.000 0.102 -3.197) 3.199 9.183 ( 0.000 0.102 3.197) 3.199 9.284 ( 0.000 6.434 -5.775) 8.645 9.284 ( 0.000 6.434 5.775) 8.645 10.245 ( 0.000 11.178 -2.818) 11.527 10.245 ( 0.000 11.178 2.818) 11.527 10.503 ( 0.000 2.929 -0.139) 2.933 10.503 ( 0.000 2.929 0.139) 2.933 10.956 ( 0.000 -11.144 -8.304) 13.898 10.956 ( 0.000 -11.144 8.304) 13.898 11.037 ( 0.000 0.234 -7.171) 7.175 11.037 ( 0.000 0.234 7.171) 7.175 11.452 ( 0.000 -1.863 -0.780) 2.020 11.452 ( 0.000 -1.863 0.780) 2.020 11.767 ( 0.000 -11.286 -4.874) 12.293 11.767 ( 0.000 -11.286 4.874) 12.293 12.498 ( 0.000 16.354 -17.007) 23.595 12.498 ( 0.000 16.354 17.007) 23.595 12.529 ( 0.000 4.473 -17.987) 18.534 12.529 ( 0.000 4.473 17.987) 18.534 12.989 ( 0.000 -4.551 -7.127) 8.456 12.989 ( 0.000 -4.551 7.127) 8.456 13.152 ( 0.000 -16.807 -3.571) 17.182 13.152 ( 0.000 -16.807 3.571) 17.182 13.772 ( 0.000 4.657 -4.349) 6.372 13.772 ( 0.000 4.657 4.349) 6.372 13.895 ( 0.000 -6.186 -1.647) 6.402 13.895 ( 0.000 -6.186 1.647) 6.402 15.236 ( 0.000 22.501 -7.576) 23.742 15.236 ( 0.000 22.501 7.576) 23.742 15.592 ( 0.000 -9.215 -6.535) 11.297 15.592 ( 0.000 -9.215 6.535) 11.297 15.893 ( 0.000 12.127 -6.779) 13.893 15.893 ( 0.000 12.127 6.779) 13.893 15.978 ( 0.000 8.302 -0.828) 8.343 15.978 ( 0.000 8.302 0.828) 8.343 16.581 ( 0.000 -7.118 -13.834) 15.558 16.581 ( 0.000 -7.118 13.834) 15.558 16.815 ( 0.000 -19.709 -6.124) 20.638 16.815 ( 0.000 -19.709 6.124) 20.638 17.347 ( 0.000 5.017 -11.610) 12.647 17.347 ( 0.000 5.017 11.610) 12.647 17.496 ( 0.000 -5.596 -11.397) 12.697 17.496 ( 0.000 -5.596 11.397) 12.697 18.171 ( 0.000 10.148 -14.061) 17.340 18.171 ( 0.000 10.148 14.061) 17.340 18.396 ( 0.000 -2.185 -6.575) 6.929 18.396 ( 0.000 -2.185 6.575) 6.929 18.955 ( 0.000 -7.234 -0.880) 7.287 18.955 ( 0.000 -7.234 0.880) 7.287 19.184 ( 0.000 -0.386 -1.660) 1.705 19.184 ( 0.000 -0.386 1.660) 1.705 19.220 ( 0.000 2.827 -5.356) 6.056 19.220 ( 0.000 2.827 5.356) 6.056 20.073 ( 0.000 0.930 -1.154) 1.483 20.073 ( 0.000 0.930 1.154) 1.483 20.517 ( 0.000 -4.082 -2.126) 4.603 20.517 ( 0.000 -4.082 2.126) 4.603 21.331 ( 0.000 1.670 -2.596) 3.086 21.331 ( 0.000 1.670 2.596) 3.086 21.568 ( 0.000 9.526 -3.170) 10.039 21.568 ( 0.000 9.526 3.170) 10.039 21.762 ( 0.000 -7.828 -7.099) 10.568 21.762 ( 0.000 -7.828 7.099) 10.568 22.199 ( 0.000 4.862 -5.197) 7.117 22.199 ( 0.000 4.862 5.197) 7.117 22.467 ( 0.000 0.303 -9.076) 9.081 22.467 ( 0.000 0.303 9.076) 9.081 23.418 ( 0.000 -5.623 -4.742) 7.355 23.418 ( 0.000 -5.623 4.742) 7.355 24.379 ( 0.000 -1.876 -0.163) 1.883 24.379 ( 0.000 -1.876 0.163) 1.883 24.863 ( 0.000 0.071 -0.528) 0.533 24.863 ( 0.000 0.071 0.528) 0.533 25.777 ( 0.000 8.273 -4.511) 9.423 25.777 ( 0.000 8.273 4.511) 9.423 25.886 ( 0.000 21.805 -11.235) 24.529 25.886 ( 0.000 21.805 11.235) 24.529 26.450 ( 0.000 -18.911 -15.377) 24.374 26.450 ( 0.000 -18.911 15.377) 24.374 27.038 ( 0.000 -15.684 -1.107) 15.723 27.038 ( 0.000 -15.684 1.107) 15.723 28.342 ( 0.000 9.937 -4.377) 10.858 28.342 ( 0.000 9.937 4.377) 10.858 29.426 ( 0.000 -3.491 -8.746) 9.417 29.426 ( 0.000 -3.491 8.746) 9.417 29.684 ( 0.000 4.086 -0.341) 4.100 29.684 ( 0.000 4.086 0.341) 4.100 29.752 ( 0.000 -0.432 -6.534) 6.548 29.752 ( 0.000 -0.432 6.534) 6.548 30.249 ( 0.000 -3.365 -0.929) 3.490 30.249 ( 0.000 -3.365 0.929) 3.490 30.596 ( 0.000 3.701 -5.834) 6.909 30.596 ( 0.000 3.701 5.834) 6.909 30.694 ( 0.000 -7.685 -7.098) 10.461 30.694 ( 0.000 -7.685 7.098) 10.461 31.369 ( 0.000 10.564 -0.898) 10.603 31.369 ( 0.000 10.564 0.898) 10.603 31.571 ( 0.000 -6.754 -0.287) 6.761 31.571 ( 0.000 -6.754 0.287) 6.761 33.331 ( 0.000 -0.358 -0.330) 0.487 33.331 ( 0.000 -0.358 0.330) 0.487 33.443 ( 0.000 0.659 -1.823) 1.939 33.443 ( 0.000 0.659 1.823) 1.939 33.810 ( 0.000 16.548 -8.945) 18.811 33.810 ( 0.000 16.548 8.945) 18.811 34.151 ( 0.000 -15.709 -8.923) 18.066 34.151 ( 0.000 -15.709 8.923) 18.066 35.437 ( 0.000 0.230 -4.276) 4.282 35.437 ( 0.000 0.230 4.276) 4.282 35.586 ( 0.000 -0.353 -5.420) 5.432 35.586 ( 0.000 -0.353 5.420) 5.432 36.267 ( 0.000 0.861 -2.960) 3.083 36.267 ( 0.000 0.861 2.960) 3.083 36.343 ( 0.000 0.239 -0.945) 0.975 36.343 ( 0.000 0.239 0.945) 0.975 ======================= Grid point 240 (82/84) ======================= q-point: ( 0.17 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( 0.457 1.161 -0.208) 1.265 2.843 ( 0.457 1.161 0.208) 1.265 2.995 ( -1.647 0.408 -0.627) 1.809 2.995 ( -1.647 0.408 0.627) 1.809 3.112 ( 0.507 0.724 -0.266) 0.923 3.112 ( 0.507 0.724 0.266) 0.923 3.206 ( 0.277 3.661 -1.237) 3.874 3.206 ( 0.277 3.661 1.237) 3.874 3.413 ( 2.970 -2.543 -1.095) 4.061 3.413 ( 2.970 -2.543 1.095) 4.061 3.825 ( -3.689 1.156 -1.926) 4.319 3.825 ( -3.689 1.156 1.926) 4.319 5.752 ( 6.230 21.136 -3.951) 22.386 5.752 ( 6.230 21.136 3.951) 22.386 6.121 ( 2.192 -11.681 -8.196) 14.437 6.121 ( 2.192 -11.681 8.196) 14.437 6.288 ( 8.894 -7.616 -5.733) 13.037 6.288 ( 8.894 -7.616 5.733) 13.037 6.566 ( 1.407 2.490 -4.922) 5.692 6.566 ( 1.407 2.490 4.922) 5.692 6.770 ( -11.345 -6.744 -4.281) 13.875 6.770 ( -11.345 -6.744 4.281) 13.875 7.639 ( 21.364 -0.743 -6.917) 22.468 7.639 ( 21.364 -0.743 6.917) 22.468 7.932 ( -7.611 -1.912 -1.264) 7.949 7.932 ( -7.611 -1.912 1.264) 7.949 8.464 ( 15.862 -2.408 -3.419) 16.404 8.464 ( 15.862 -2.408 3.419) 16.404 9.100 ( -9.871 -2.593 -2.846) 10.595 9.100 ( -9.871 -2.593 2.846) 10.595 9.261 ( 0.301 7.696 -1.033) 7.771 9.261 ( 0.301 7.696 1.033) 7.771 10.209 ( -3.473 17.299 -6.007) 18.638 10.209 ( -3.473 17.299 6.007) 18.638 10.469 ( -5.693 -4.674 -5.985) 9.491 10.469 ( -5.693 -4.674 5.985) 9.491 10.878 ( -15.953 1.886 -5.852) 17.097 10.878 ( -15.953 1.886 5.852) 17.097 10.969 ( 1.168 -9.074 -7.687) 11.950 10.969 ( 1.168 -9.074 7.687) 11.950 11.496 ( 3.029 2.036 -4.456) 5.760 11.496 ( 3.029 2.036 4.456) 5.760 11.776 ( 2.264 -15.503 -10.208) 18.699 11.776 ( 2.264 -15.503 10.208) 18.699 12.344 ( -10.814 10.250 -16.109) 21.944 12.344 ( -10.814 10.250 16.109) 21.944 12.514 ( -5.882 -0.590 -20.936) 21.755 12.514 ( -5.882 -0.590 20.936) 21.755 12.963 ( -0.277 5.138 -7.051) 8.729 12.963 ( -0.277 5.138 7.051) 8.729 13.219 ( 4.558 -14.281 -3.681) 15.435 13.219 ( 4.558 -14.281 3.681) 15.435 13.773 ( 0.189 7.159 -4.888) 8.670 13.773 ( 0.189 7.159 4.888) 8.670 13.934 ( 3.779 -9.634 -0.925) 10.390 13.934 ( 3.779 -9.634 0.925) 10.390 15.295 ( 5.713 22.271 -6.838) 23.987 15.295 ( 5.713 22.271 6.838) 23.987 15.657 ( 6.500 -10.608 -6.588) 14.077 15.657 ( 6.500 -10.608 6.588) 14.077 15.902 ( 1.076 13.637 -7.114) 15.418 15.902 ( 1.076 13.637 7.114) 15.418 16.025 ( 4.862 6.720 -3.758) 9.106 16.025 ( 4.862 6.720 3.758) 9.106 16.611 ( 2.124 -5.052 -12.149) 13.328 16.611 ( 2.124 -5.052 12.149) 13.328 16.750 ( -6.017 -15.675 -7.719) 18.479 16.750 ( -6.017 -15.675 7.719) 18.479 17.313 ( -8.092 0.551 -4.186) 9.127 17.313 ( -8.092 0.551 4.186) 9.127 17.440 ( 1.001 -6.524 -5.868) 8.832 17.440 ( 1.001 -6.524 5.868) 8.832 18.068 ( -10.144 9.504 -11.054) 17.759 18.068 ( -10.144 9.504 11.054) 17.759 18.485 ( 4.023 -6.184 -7.656) 10.632 18.485 ( 4.023 -6.184 7.656) 10.632 18.826 ( -5.228 -0.637 -2.467) 5.816 18.826 ( -5.228 -0.637 2.467) 5.816 19.220 ( 2.971 0.775 -3.446) 4.616 19.220 ( 2.971 0.775 3.446) 4.616 19.371 ( 11.087 0.212 -5.075) 12.196 19.371 ( 11.087 0.212 5.075) 12.196 20.042 ( -3.182 0.026 -0.869) 3.299 20.042 ( -3.182 0.026 0.869) 3.299 20.529 ( 1.261 -1.495 -1.924) 2.744 20.529 ( 1.261 -1.495 1.924) 2.744 21.226 ( -9.165 1.072 -4.355) 10.203 21.226 ( -9.165 1.072 4.355) 10.203 21.630 ( 4.622 6.794 -3.928) 9.108 21.630 ( 4.622 6.794 3.928) 9.108 21.777 ( 1.614 -7.001 -6.278) 9.541 21.777 ( 1.614 -7.001 6.278) 9.541 22.251 ( 5.332 5.342 -4.491) 8.783 22.251 ( 5.332 5.342 4.491) 8.783 22.494 ( 2.452 0.824 -8.013) 8.420 22.494 ( 2.452 0.824 8.013) 8.420 23.482 ( 6.634 -5.489 -4.261) 9.607 23.482 ( 6.634 -5.489 4.261) 9.607 24.308 ( -7.314 -2.981 -0.789) 7.937 24.308 ( -7.314 -2.981 0.789) 7.937 24.899 ( 4.088 0.825 -1.060) 4.303 24.899 ( 4.088 0.825 1.060) 4.303 25.657 ( -7.543 13.992 -4.409) 16.496 25.657 ( -7.543 13.992 4.409) 16.496 26.061 ( 11.661 15.080 -9.421) 21.263 26.061 ( 11.661 15.080 9.421) 21.263 26.451 ( 1.155 -14.968 -16.015) 21.952 26.451 ( 1.155 -14.968 16.015) 21.952 26.936 ( -9.207 -18.214 -3.625) 20.728 26.936 ( -9.207 -18.214 3.625) 20.728 28.127 ( -21.206 7.132 -3.853) 22.703 28.127 ( -21.206 7.132 3.853) 22.703 29.406 ( -0.790 6.227 -7.483) 9.767 29.406 ( -0.790 6.227 7.483) 9.767 29.740 ( 4.933 0.102 -2.250) 5.422 29.740 ( 4.933 0.102 2.250) 5.422 29.846 ( 7.402 -3.404 -7.238) 10.898 29.846 ( 7.402 -3.404 7.238) 10.898 30.267 ( 1.268 -5.099 -2.114) 5.664 30.267 ( 1.268 -5.099 2.114) 5.664 30.618 ( 2.249 3.129 -4.743) 6.110 30.618 ( 2.249 3.129 4.743) 6.110 30.697 ( 0.699 -5.637 -5.803) 8.120 30.697 ( 0.699 -5.637 5.803) 8.120 31.384 ( 1.516 9.408 -1.755) 9.690 31.384 ( 1.516 9.408 1.755) 9.690 31.562 ( -0.845 -5.540 -2.770) 6.251 31.562 ( -0.845 -5.540 2.770) 6.251 33.400 ( 6.897 -0.022 -2.046) 7.194 33.400 ( 6.897 -0.022 2.046) 7.194 33.509 ( 6.397 0.612 -1.981) 6.725 33.509 ( 6.397 0.612 1.981) 6.725 33.802 ( -0.562 15.606 -7.911) 17.505 33.802 ( -0.562 15.606 7.911) 17.505 34.125 ( -2.715 -15.196 -8.852) 17.794 34.125 ( -2.715 -15.196 8.852) 17.794 35.390 ( -4.647 0.150 -3.778) 5.991 35.390 ( -4.647 0.150 3.778) 5.991 35.523 ( -6.313 -0.278 -5.058) 8.094 35.523 ( -6.313 -0.278 5.058) 8.094 36.279 ( 1.120 1.354 -2.427) 2.997 36.279 ( 1.120 1.354 2.427) 2.997 36.350 ( 0.618 -0.284 -1.498) 1.645 36.350 ( 0.618 -0.284 1.498) 1.645 ======================= Grid point 242 (83/84) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 1.105 1.811 -0.354) 2.151 2.858 ( 1.105 1.811 0.354) 2.151 2.956 ( -2.265 -0.577 -0.600) 2.413 2.956 ( -2.265 -0.577 0.600) 2.413 3.131 ( 1.475 1.238 -0.186) 1.935 3.131 ( 1.475 1.238 0.186) 1.935 3.202 ( -0.785 1.313 -1.144) 1.910 3.202 ( -0.785 1.313 1.144) 1.910 3.492 ( 5.401 -0.647 -1.253) 5.582 3.492 ( 5.401 -0.647 1.253) 5.582 3.732 ( -6.085 0.622 -1.535) 6.306 3.732 ( -6.085 0.622 1.535) 6.306 5.898 ( 8.682 19.930 -2.350) 21.865 5.898 ( 8.682 19.930 2.350) 21.865 6.148 ( -0.511 -0.378 -6.057) 6.090 6.148 ( -0.511 -0.378 6.057) 6.090 6.422 ( 3.111 -7.661 -2.274) 8.575 6.422 ( 3.111 -7.661 2.274) 8.575 6.547 ( -3.874 -4.164 -5.493) 7.907 6.547 ( -3.874 -4.164 5.493) 7.907 6.768 ( 14.051 -9.714 -2.601) 17.279 6.768 ( 14.051 -9.714 2.601) 17.279 7.570 ( -20.184 -3.727 -4.482) 21.009 7.570 ( -20.184 -3.727 4.482) 21.009 8.176 ( 24.059 -0.483 -5.896) 24.775 8.176 ( 24.059 -0.483 5.896) 24.775 8.835 ( 2.074 5.911 -6.828) 9.267 8.835 ( 2.074 5.911 6.828) 9.267 8.913 ( 11.860 -4.887 -8.560) 15.421 8.913 ( 11.860 -4.887 8.560) 15.421 9.332 ( 7.321 -0.055 -1.896) 7.562 9.332 ( 7.321 -0.055 1.896) 7.563 10.087 ( -11.910 15.071 -6.117) 20.159 10.087 ( -11.910 15.071 6.117) 20.159 10.240 ( -18.953 -1.501 -9.999) 21.482 10.240 ( -18.953 -1.501 9.999) 21.482 10.559 ( -13.554 11.215 -4.038) 18.049 10.559 ( -13.554 11.215 4.038) 18.049 10.965 ( -1.917 -19.284 -4.347) 19.860 10.965 ( -1.917 -19.284 4.347) 19.860 11.539 ( 2.569 12.187 -8.945) 15.334 11.539 ( 2.569 12.187 8.945) 15.334 11.881 ( 8.053 -22.143 -16.088) 28.530 11.881 ( 8.053 -22.143 16.088) 28.530 12.167 ( -7.433 7.491 -14.742) 18.130 12.167 ( -7.433 7.491 14.742) 18.130 12.347 ( -10.277 -7.754 -20.825) 24.483 12.347 ( -10.277 -7.754 20.825) 24.483 12.987 ( 1.943 14.957 -4.512) 15.743 12.987 ( 1.943 14.957 4.512) 15.743 13.278 ( 1.792 -12.551 -2.368) 12.898 13.278 ( 1.792 -12.551 2.368) 12.898 13.780 ( 0.538 10.836 -3.555) 11.417 13.780 ( 0.538 10.836 3.555) 11.417 14.007 ( 3.416 -13.920 -0.084) 14.333 14.007 ( 3.416 -13.920 0.084) 14.333 15.412 ( 5.885 21.891 -4.672) 23.145 15.412 ( 5.885 21.891 4.672) 23.145 15.789 ( 6.004 -16.287 -5.521) 18.216 15.789 ( 6.004 -16.287 5.521) 18.216 15.943 ( 3.799 20.214 -6.580) 21.595 15.943 ( 3.799 20.214 6.580) 21.595 16.148 ( 8.159 3.174 -7.366) 11.441 16.148 ( 8.159 3.174 7.366) 11.441 16.530 ( -10.229 -1.114 -4.832) 11.367 16.530 ( -10.229 -1.114 4.832) 11.367 16.692 ( -2.397 -13.045 -2.951) 13.588 16.692 ( -2.397 -13.045 2.951) 13.588 17.177 ( -1.138 -2.408 -2.780) 3.850 17.177 ( -1.138 -2.408 2.780) 3.850 17.486 ( -1.138 -6.402 -2.198) 6.864 17.486 ( -1.138 -6.402 2.198) 6.864 17.888 ( -5.088 7.830 -6.675) 11.478 17.888 ( -5.088 7.830 6.675) 11.478 18.357 ( -13.343 -13.217 -7.992) 20.410 18.357 ( -13.343 -13.217 7.992) 20.410 18.943 ( 12.863 4.767 -3.083) 14.060 18.943 ( 12.863 4.767 3.083) 14.060 19.250 ( -0.811 2.030 -3.494) 4.121 19.250 ( -0.811 2.030 3.494) 4.121 19.556 ( 8.132 3.492 -3.197) 9.410 19.556 ( 8.132 3.492 3.197) 9.410 19.968 ( -4.315 -6.473 -0.577) 7.801 19.968 ( -4.315 -6.473 0.577) 7.801 20.564 ( 2.508 9.143 -1.298) 9.569 20.564 ( 2.508 9.143 1.298) 9.569 21.047 ( -8.991 -6.530 -2.870) 11.477 21.047 ( -8.991 -6.530 2.870) 11.477 21.701 ( 2.736 5.078 -2.114) 6.143 21.701 ( 2.736 5.078 2.114) 6.143 21.813 ( 1.894 -6.203 -3.781) 7.508 21.813 ( 1.894 -6.203 3.781) 7.508 22.373 ( 6.923 6.464 -2.996) 9.934 22.373 ( 6.923 6.464 2.996) 9.934 22.532 ( 0.969 1.492 -5.638) 5.912 22.532 ( 0.969 1.492 5.638) 5.912 23.647 ( 10.644 -4.239 -3.024) 11.850 23.647 ( 10.644 -4.239 3.024) 11.850 24.130 ( -11.265 -5.970 -1.272) 12.813 24.130 ( -11.265 -5.970 1.272) 12.813 25.022 ( 9.180 3.579 -1.779) 10.012 25.022 ( 9.180 3.579 1.779) 10.012 25.502 ( -10.025 9.778 -2.738) 14.269 25.502 ( -10.025 9.778 2.738) 14.269 26.171 ( -0.778 14.933 -2.650) 15.186 26.171 ( -0.778 14.933 2.650) 15.186 26.580 ( 11.587 -13.169 -12.517) 21.549 26.580 ( 11.587 -13.169 12.517) 21.549 26.809 ( -0.043 -15.485 -8.429) 17.631 26.809 ( -0.043 -15.485 8.429) 17.631 27.649 ( -28.322 3.318 -3.414) 28.719 27.649 ( -28.322 3.318 3.414) 28.719 29.411 ( 0.919 17.459 -4.106) 17.959 29.411 ( 0.919 17.459 4.106) 17.959 29.809 ( 1.786 -12.117 -2.521) 12.505 29.809 ( 1.786 -12.117 2.521) 12.505 29.980 ( 6.680 1.915 -1.581) 7.127 29.980 ( 6.680 1.915 1.581) 7.127 30.265 ( -1.658 -9.436 -2.405) 9.878 30.265 ( -1.658 -9.436 2.405) 9.878 30.665 ( 2.254 3.024 -3.117) 4.893 30.665 ( 2.254 3.024 3.117) 4.893 30.731 ( 2.630 -3.549 -2.024) 4.860 30.731 ( 2.630 -3.549 2.024) 4.860 31.419 ( 2.028 7.610 -2.332) 8.214 31.419 ( 2.028 7.610 2.332) 8.214 31.545 ( -0.839 -3.183 -2.507) 4.138 31.545 ( -0.839 -3.183 2.507) 4.138 33.545 ( 7.371 2.000 -5.966) 9.691 33.545 ( 7.371 2.000 5.966) 9.691 33.625 ( 4.249 3.118 -3.980) 6.604 33.625 ( 4.249 3.118 3.980) 6.604 33.819 ( 3.377 8.815 -1.946) 9.638 33.819 ( 3.377 8.815 1.946) 9.638 34.061 ( -3.945 -13.176 -8.194) 16.010 34.061 ( -3.945 -13.176 8.194) 16.010 35.296 ( -4.293 0.162 -2.852) 5.157 35.296 ( -4.293 0.162 2.852) 5.157 35.383 ( -7.772 -0.365 -3.890) 8.699 35.383 ( -7.772 -0.365 3.890) 8.699 36.301 ( 1.058 2.525 -1.508) 3.126 36.301 ( 1.058 2.525 1.508) 3.126 36.361 ( 0.392 -1.494 -1.554) 2.192 36.361 ( 0.392 -1.494 1.554) 2.192 ======================= Grid point 244 (84/84) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 0.000 3.416 0.000) 3.416 2.874 ( 0.000 3.416 0.000) 3.416 2.928 ( 0.000 -2.381 0.000) 2.381 2.928 ( 0.000 -2.381 0.000) 2.381 3.153 ( 0.000 2.870 0.000) 2.870 3.153 ( 0.000 2.870 0.000) 2.870 3.187 ( -0.000 -0.920 0.000) 0.920 3.187 ( 0.000 -0.920 0.000) 0.920 3.590 ( -0.000 2.095 0.000) 2.095 3.590 ( -0.000 2.095 0.000) 2.095 3.627 ( 0.000 -1.688 0.000) 1.688 3.627 ( 0.000 -1.688 0.000) 1.688 6.019 ( 0.000 17.059 -0.000) 17.059 6.019 ( 0.000 17.059 0.000) 17.059 6.104 ( -0.000 9.368 0.000) 9.368 6.104 ( 0.000 9.368 0.000) 9.368 6.453 ( 0.000 -4.643 -0.000) 4.643 6.453 ( 0.000 -4.643 0.000) 4.643 6.497 ( 0.000 -13.870 0.000) 13.870 6.497 ( 0.000 -13.870 0.000) 13.870 7.110 ( -0.000 -7.852 0.000) 7.852 7.110 ( 0.000 -7.852 0.000) 7.852 7.182 ( -0.000 -8.165 0.000) 8.165 7.182 ( 0.000 -8.165 0.000) 8.165 8.505 ( -0.000 9.884 -0.000) 9.884 8.505 ( -0.000 9.884 0.000) 9.884 8.641 ( 0.000 -3.875 -0.000) 3.875 8.641 ( 0.000 -3.875 0.000) 3.875 9.354 ( -0.000 -2.670 -0.000) 2.670 9.354 ( -0.000 -2.670 0.000) 2.670 9.375 ( 0.000 -4.187 -0.000) 4.187 9.375 ( 0.000 -4.187 0.000) 4.187 9.859 ( -0.000 10.683 0.000) 10.683 9.859 ( 0.000 10.683 0.000) 10.683 9.969 ( -0.000 -1.205 0.000) 1.205 9.969 ( 0.000 -1.205 0.000) 1.205 10.448 ( 0.000 24.934 0.000) 24.934 10.448 ( 0.000 24.934 0.000) 24.934 10.937 ( 0.000 -27.027 0.000) 27.027 10.937 ( 0.000 -27.027 0.000) 27.027 11.575 ( 0.000 16.583 0.000) 16.583 11.575 ( 0.000 16.583 0.000) 16.583 11.989 ( -0.000 -26.466 -0.000) 26.466 11.989 ( 0.000 -26.466 0.000) 26.466 12.096 ( 0.000 5.335 -0.000) 5.335 12.096 ( -0.000 5.335 0.000) 5.335 12.215 ( 0.000 -5.753 0.000) 5.753 12.215 ( 0.000 -5.753 0.000) 5.753 13.008 ( 0.000 17.666 0.000) 17.666 13.008 ( 0.000 17.666 0.000) 17.666 13.292 ( 0.000 -12.586 0.000) 12.586 13.292 ( 0.000 -12.586 0.000) 12.586 13.787 ( 0.000 12.369 0.000) 12.369 13.787 ( 0.000 12.369 0.000) 12.369 14.041 ( 0.000 -15.325 0.000) 15.325 14.041 ( 0.000 -15.325 0.000) 15.325 15.473 ( 0.000 21.847 0.000) 21.847 15.473 ( 0.000 21.847 0.000) 21.847 15.842 ( 0.000 -18.581 0.000) 18.581 15.842 ( 0.000 -18.581 0.000) 18.581 16.005 ( 0.000 25.542 0.000) 25.542 16.005 ( 0.000 25.542 0.000) 25.542 16.283 ( 0.000 -5.575 -0.000) 5.575 16.283 ( 0.000 -5.575 0.000) 5.575 16.370 ( -0.000 7.793 -0.000) 7.793 16.370 ( -0.000 7.793 0.000) 7.793 16.630 ( 0.000 -17.289 0.000) 17.289 16.630 ( 0.000 -17.289 0.000) 17.289 17.264 ( 0.000 3.200 0.000) 3.200 17.264 ( 0.000 3.200 0.000) 3.200 17.372 ( -0.000 -6.648 0.000) 6.648 17.372 ( 0.000 -6.648 0.000) 6.648 17.907 ( 0.000 7.432 0.000) 7.432 17.907 ( 0.000 7.432 0.000) 7.432 18.179 ( -0.000 -18.197 -0.000) 18.197 18.179 ( 0.000 -18.197 0.000) 18.197 19.144 ( -0.000 4.170 0.000) 4.170 19.144 ( 0.000 4.170 0.000) 4.170 19.176 ( -0.000 2.173 -0.000) 2.173 19.176 ( 0.000 2.173 0.000) 2.173 19.640 ( -0.000 11.887 0.000) 11.887 19.640 ( 0.000 11.887 0.000) 11.887 19.917 ( 0.000 -16.610 0.000) 16.610 19.917 ( 0.000 -16.610 0.000) 16.610 20.599 ( 0.000 21.242 0.000) 21.242 20.599 ( 0.000 21.242 0.000) 21.242 20.948 ( -0.000 -16.330 0.000) 16.330 20.948 ( 0.000 -16.330 0.000) 16.330 21.726 ( 0.000 4.851 0.000) 4.851 21.726 ( 0.000 4.851 0.000) 4.851 21.833 ( 0.000 -6.123 0.000) 6.123 21.833 ( 0.000 -6.123 0.000) 6.123 22.458 ( 0.000 8.599 -0.000) 8.599 22.458 ( 0.000 8.599 0.000) 8.599 22.528 ( -0.000 0.156 -0.000) 0.156 22.528 ( 0.000 0.156 0.000) 0.156 23.811 ( -0.000 2.126 0.000) 2.126 23.811 ( 0.000 2.126 0.000) 2.126 23.960 ( -0.000 -13.141 0.000) 13.141 23.960 ( 0.000 -13.141 0.000) 13.141 25.180 ( -0.000 11.771 0.000) 11.771 25.180 ( 0.000 11.771 0.000) 11.771 25.334 ( -0.000 -1.086 0.000) 1.086 25.334 ( 0.000 -1.086 0.000) 1.086 26.144 ( 0.000 18.443 0.000) 18.443 26.144 ( 0.000 18.443 0.000) 18.443 26.656 ( 0.000 -32.576 0.000) 32.576 26.656 ( 0.000 -32.576 0.000) 32.576 27.023 ( -0.000 13.663 -0.000) 13.663 27.023 ( -0.000 13.663 0.000) 13.663 27.213 ( 0.000 -7.221 0.000) 7.221 27.213 ( 0.000 -7.221 0.000) 7.221 29.422 ( 0.000 22.609 0.000) 22.609 29.422 ( 0.000 22.609 0.000) 22.609 29.820 ( 0.000 -18.878 0.000) 18.878 29.820 ( 0.000 -18.878 0.000) 18.878 30.056 ( 0.000 7.602 0.000) 7.602 30.056 ( 0.000 7.602 0.000) 7.602 30.236 ( -0.000 -13.424 0.000) 13.424 30.236 ( 0.000 -13.424 0.000) 13.424 30.687 ( 0.000 3.767 0.000) 3.767 30.687 ( 0.000 3.767 0.000) 3.767 30.762 ( 0.000 -4.181 0.000) 4.181 30.762 ( 0.000 -4.181 0.000) 4.181 31.442 ( -0.000 7.162 0.000) 7.162 31.442 ( 0.000 7.162 0.000) 7.162 31.535 ( 0.000 -2.214 -0.000) 2.214 31.535 ( -0.000 -2.214 0.000) 2.214 33.621 ( 0.000 7.888 -0.000) 7.888 33.621 ( 0.000 7.888 0.000) 7.888 33.656 ( -0.000 2.552 -0.000) 2.552 33.656 ( -0.000 2.552 0.000) 2.552 33.883 ( 0.000 0.849 -0.000) 0.849 33.883 ( 0.000 0.849 0.000) 0.849 34.006 ( 0.000 -10.623 -0.000) 10.623 34.006 ( 0.000 -10.623 0.000) 10.623 35.263 ( 0.000 1.256 0.000) 1.256 35.263 ( 0.000 1.256 0.000) 1.256 35.289 ( -0.000 -1.536 0.000) 1.536 35.289 ( 0.000 -1.536 0.000) 1.536 36.312 ( 0.000 3.326 0.000) 3.326 36.312 ( 0.000 3.326 0.000) 3.326 36.364 ( 0.000 -2.309 0.000) 2.309 36.364 ( 0.000 -2.309 0.000) 2.309 =================== 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 3/51840 10.0 3339.767 2948.357 2321.838 0.000 0.000 -0.000 3/51840 20.0 1386.824 1378.645 1265.797 0.000 0.000 -0.000 3/51840 30.0 740.656 724.204 647.407 0.000 0.000 -0.000 3/51840 40.0 383.655 367.532 335.614 0.000 0.000 -0.000 3/51840 50.0 219.417 208.970 195.557 0.000 0.000 -0.000 3/51840 60.0 140.656 133.654 128.317 0.000 0.000 -0.000 3/51840 70.0 98.904 93.815 92.337 0.000 0.000 -0.000 3/51840 80.0 74.569 70.587 71.082 0.000 0.000 -0.000 3/51840 90.0 59.207 55.913 57.438 0.000 0.000 -0.000 3/51840 100.0 48.851 46.023 48.061 0.000 0.000 -0.000 3/51840 110.0 41.482 38.999 41.251 0.000 0.000 -0.000 3/51840 120.0 36.001 33.794 36.085 0.000 0.000 -0.000 3/51840 130.0 31.773 29.799 32.028 0.000 0.000 -0.000 3/51840 140.0 28.414 26.642 28.756 0.000 0.000 -0.000 3/51840 150.0 25.680 24.086 26.061 0.000 0.000 -0.000 3/51840 160.0 23.411 21.976 23.803 0.000 0.000 -0.000 3/51840 170.0 21.496 20.203 21.887 0.000 0.000 -0.000 3/51840 180.0 19.860 18.693 20.241 0.000 0.000 -0.000 3/51840 190.0 18.446 17.390 18.815 0.000 0.000 -0.000 3/51840 200.0 17.212 16.255 17.570 0.000 0.000 -0.000 3/51840 210.0 16.127 15.257 16.473 0.000 0.000 -0.000 3/51840 220.0 15.166 14.373 15.502 0.000 0.000 -0.000 3/51840 230.0 14.309 13.584 14.638 0.000 0.000 -0.000 3/51840 240.0 13.542 12.877 13.863 0.000 0.000 -0.000 3/51840 250.0 12.850 12.239 13.166 0.000 0.000 -0.000 3/51840 260.0 12.225 11.661 12.537 0.000 0.000 -0.000 3/51840 270.0 11.657 11.134 11.965 0.000 0.000 -0.000 3/51840 280.0 11.139 10.653 11.444 0.000 0.000 -0.000 3/51840 290.0 10.665 10.212 10.968 0.000 0.000 -0.000 3/51840 300.0 10.230 9.807 10.531 0.000 0.000 -0.000 3/51840 310.0 9.829 9.432 10.129 0.000 0.000 -0.000 3/51840 320.0 9.459 9.085 9.757 0.000 0.000 -0.000 3/51840 330.0 9.116 8.764 9.413 0.000 0.000 -0.000 3/51840 340.0 8.798 8.465 9.093 0.000 0.000 -0.000 3/51840 350.0 8.501 8.185 8.796 0.000 0.000 -0.000 3/51840 360.0 8.225 7.925 8.518 0.000 0.000 -0.000 3/51840 370.0 7.967 7.680 8.259 0.000 0.000 -0.000 3/51840 380.0 7.725 7.451 8.015 0.000 0.000 -0.000 3/51840 390.0 7.497 7.235 7.787 0.000 0.000 -0.000 3/51840 400.0 7.283 7.032 7.572 0.000 0.000 -0.000 3/51840 410.0 7.082 6.841 7.369 0.000 0.000 -0.000 3/51840 420.0 6.892 6.659 7.177 0.000 0.000 -0.000 3/51840 430.0 6.712 6.488 6.996 0.000 0.000 -0.000 3/51840 440.0 6.542 6.325 6.824 0.000 0.000 -0.000 3/51840 450.0 6.381 6.171 6.661 0.000 0.000 -0.000 3/51840 460.0 6.227 6.024 6.506 0.000 0.000 -0.000 3/51840 470.0 6.082 5.885 6.358 0.000 0.000 -0.000 3/51840 480.0 5.943 5.752 6.217 0.000 0.000 -0.000 3/51840 490.0 5.811 5.625 6.083 0.000 0.000 -0.000 3/51840 500.0 5.684 5.503 5.955 0.000 0.000 -0.000 3/51840 510.0 5.564 5.387 5.833 0.000 0.000 -0.000 3/51840 520.0 5.448 5.276 5.715 0.000 0.000 -0.000 3/51840 530.0 5.338 5.170 5.603 0.000 0.000 -0.000 3/51840 540.0 5.232 5.068 5.495 0.000 0.000 -0.000 3/51840 550.0 5.131 4.970 5.391 0.000 0.000 -0.000 3/51840 560.0 5.033 4.876 5.292 0.000 0.000 -0.000 3/51840 570.0 4.939 4.785 5.196 0.000 0.000 -0.000 3/51840 580.0 4.849 4.698 5.104 0.000 0.000 -0.000 3/51840 590.0 4.763 4.615 5.015 0.000 0.000 -0.000 3/51840 600.0 4.679 4.534 4.929 0.000 0.000 -0.000 3/51840 610.0 4.598 4.456 4.846 0.000 0.000 -0.000 3/51840 620.0 4.521 4.381 4.766 0.000 0.000 -0.000 3/51840 630.0 4.446 4.308 4.689 0.000 0.000 -0.000 3/51840 640.0 4.373 4.238 4.615 0.000 0.000 -0.000 3/51840 650.0 4.303 4.170 4.543 0.000 0.000 -0.000 3/51840 660.0 4.235 4.104 4.473 0.000 0.000 -0.000 3/51840 670.0 4.170 4.041 4.405 0.000 0.000 -0.000 3/51840 680.0 4.106 3.979 4.339 0.000 0.000 -0.000 3/51840 690.0 4.044 3.920 4.276 0.000 0.000 -0.000 3/51840 700.0 3.985 3.862 4.214 0.000 0.000 -0.000 3/51840 710.0 3.927 3.806 4.154 0.000 0.000 -0.000 3/51840 720.0 3.871 3.751 4.096 0.000 0.000 -0.000 3/51840 730.0 3.816 3.698 4.040 0.000 0.000 -0.000 3/51840 740.0 3.763 3.647 3.985 0.000 0.000 -0.000 3/51840 750.0 3.712 3.597 3.931 0.000 0.000 -0.000 3/51840 760.0 3.662 3.548 3.879 0.000 0.000 -0.000 3/51840 770.0 3.613 3.501 3.829 0.000 0.000 -0.000 3/51840 780.0 3.566 3.455 3.780 0.000 0.000 -0.000 3/51840 790.0 3.519 3.410 3.732 0.000 0.000 -0.000 3/51840 800.0 3.475 3.367 3.685 0.000 0.000 -0.000 3/51840 810.0 3.431 3.324 3.640 0.000 0.000 -0.000 3/51840 820.0 3.388 3.283 3.595 0.000 0.000 -0.000 3/51840 830.0 3.347 3.243 3.552 0.000 0.000 -0.000 3/51840 840.0 3.306 3.203 3.510 0.000 0.000 -0.000 3/51840 850.0 3.267 3.165 3.468 0.000 0.000 -0.000 3/51840 860.0 3.228 3.128 3.428 0.000 0.000 -0.000 3/51840 870.0 3.190 3.091 3.389 0.000 0.000 -0.000 3/51840 880.0 3.154 3.055 3.350 0.000 0.000 -0.000 3/51840 890.0 3.118 3.021 3.313 0.000 0.000 -0.000 3/51840 900.0 3.083 2.986 3.276 0.000 0.000 -0.000 3/51840 910.0 3.048 2.953 3.240 0.000 0.000 -0.000 3/51840 920.0 3.015 2.921 3.205 0.000 0.000 -0.000 3/51840 930.0 2.982 2.889 3.171 0.000 0.000 -0.000 3/51840 940.0 2.950 2.858 3.137 0.000 0.000 -0.000 3/51840 950.0 2.918 2.827 3.105 0.000 0.000 -0.000 3/51840 960.0 2.888 2.797 3.072 0.000 0.000 -0.000 3/51840 970.0 2.858 2.768 3.041 0.000 0.000 -0.000 3/51840 980.0 2.828 2.740 3.010 0.000 0.000 -0.000 3/51840 990.0 2.800 2.712 2.980 0.000 0.000 -0.000 3/51840 1000.0 2.771 2.684 2.950 0.000 0.000 -0.000 3/51840 Thermal conductivity related properties were written into "kappa-m6512.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:51:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|