----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:11:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.583653891100813 0.000000000000000 0.000000000000000 b 0.000000000000000 9.777603369999998 0.000000000000000 c -0.251922189690479 0.000000000000000 9.150589536557973 Atomic positions (fractional): *1 O 0.27217350314789 0.57787711968205 0.69361770140378 15.999 2 O 0.72782649685211 0.07787711968205 0.80638229859622 15.999 3 O 0.72782649685211 0.42212288031795 0.30638229859622 15.999 4 O 0.27217350314789 0.92212288031795 0.19361770140378 15.999 *5 O 0.20499980053781 0.34857303014895 0.99042677093054 15.999 6 O 0.79500019946219 0.84857303014895 0.50957322906946 15.999 7 O 0.79500019946219 0.65142696985105 0.00957322906946 15.999 8 O 0.20499980053781 0.15142696985105 0.49042677093054 15.999 *9 O 0.55480940983788 0.30853700969574 0.11601184960286 15.999 10 O 0.44519059016211 0.80853700969575 0.38398815039714 15.999 11 O 0.44519059016211 0.69146299030425 0.88398815039714 15.999 12 O 0.55480940983788 0.19146299030426 0.61601184960286 15.999 *13 O 0.92303918823635 0.30405550181902 0.04592140741797 15.999 14 O 0.07696081176365 0.80405550181902 0.45407859258203 15.999 15 O 0.07696081176365 0.69594449818098 0.95407859258203 15.999 16 O 0.92303918823635 0.19594449818098 0.54592140741797 15.999 *17 O 0.45577816196091 0.13243480756995 0.87189428972313 15.999 18 O 0.54422183803909 0.63243480756995 0.62810571027687 15.999 19 O 0.54422183803909 0.86756519243005 0.12810571027686 15.999 20 O 0.45577816196091 0.36756519243005 0.37189428972313 15.999 *21 O 0.99250799130566 0.11031974877297 0.29705585663785 15.999 22 O 0.00749200869434 0.61031974877297 0.20294414336215 15.999 23 O 0.00749200869434 0.88968025122703 0.70294414336216 15.999 24 O 0.99250799130566 0.38968025122703 0.79705585663784 15.999 *25 O 0.50727159211446 0.05248424317716 0.30621312171292 15.999 26 O 0.49272840788554 0.55248424317716 0.19378687828708 15.999 27 O 0.49272840788554 0.94751575682284 0.69378687828708 15.999 28 O 0.50727159211446 0.44751575682284 0.80621312171292 15.999 *29 O 0.05818218762707 0.35416937628536 0.37520567969131 15.999 30 O 0.94181781237293 0.85416937628536 0.12479432030869 15.999 31 O 0.94181781237293 0.64583062371464 0.62479432030869 15.999 32 O 0.05818218762707 0.14583062371464 0.87520567969131 15.999 *33 P 0.55886757388593 0.41208161097412 0.24289487608017 30.974 34 P 0.44113242611407 0.91208161097412 0.25710512391983 30.974 35 P 0.55886757388593 0.08791838902588 0.74289487608017 30.974 36 P 0.44113242611407 0.58791838902588 0.75710512391983 30.974 *37 P 0.04840946575444 0.29700987244566 0.92687141449275 30.974 38 P 0.95159053424556 0.79700987244566 0.57312858550725 30.974 39 P 0.95159053424556 0.70299012755434 0.07312858550725 30.974 40 P 0.04840946575444 0.20299012755434 0.42687141449275 30.974 *41 Zn 0.41673155282275 0.31871990878407 0.94145912813392 65.380 42 Zn 0.58326844717725 0.68128009121593 0.05854087186608 65.380 *43 Zn 0.92774824846068 0.42511903724931 0.20984308228253 65.380 44 Zn 0.58326844717725 0.81871990878407 0.55854087186608 65.380 45 Zn 0.07225175153932 0.57488096275069 0.79015691771747 65.380 46 Zn 0.92774824846068 0.07488096275069 0.70984308228253 65.380 47 Zn 0.07225175153932 0.92511903724931 0.29015691771747 65.380 48 Zn 0.41673155282275 0.18128009121593 0.44145912813392 65.380 *49 Ba 0.74638523936236 0.08357362440580 0.10463784332739 137.327 50 Ba 0.25361476063764 0.58357362440580 0.39536215667261 137.327 51 Ba 0.25361476063764 0.91642637559420 0.89536215667261 137.327 52 Ba 0.74638523936236 0.41642637559420 0.60463784332739 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.583653891100813 0.000000000000000 0.000000000000000 b 0.000000000000000 9.777603369999998 0.000000000000000 c -0.251922189690479 0.000000000000000 9.150589536557973 Atomic positions (fractional): *1 O 0.27217350314789 0.57787711968205 0.69361770140378 15.999 > 1 2 O 0.72782649685211 0.07787711968205 0.80638229859622 15.999 > 2 3 O 0.72782649685211 0.42212288031795 0.30638229859622 15.999 > 3 4 O 0.27217350314789 0.92212288031795 0.19361770140378 15.999 > 4 *5 O 0.20499980053781 0.34857303014895 0.99042677093054 15.999 > 5 6 O 0.79500019946219 0.84857303014895 0.50957322906946 15.999 > 6 7 O 0.79500019946219 0.65142696985105 0.00957322906946 15.999 > 7 8 O 0.20499980053781 0.15142696985105 0.49042677093054 15.999 > 8 *9 O 0.55480940983788 0.30853700969574 0.11601184960286 15.999 > 9 10 O 0.44519059016211 0.80853700969575 0.38398815039714 15.999 > 10 11 O 0.44519059016211 0.69146299030425 0.88398815039714 15.999 > 11 12 O 0.55480940983788 0.19146299030426 0.61601184960286 15.999 > 12 *13 O 0.92303918823635 0.30405550181902 0.04592140741797 15.999 > 13 14 O 0.07696081176365 0.80405550181902 0.45407859258203 15.999 > 14 15 O 0.07696081176365 0.69594449818098 0.95407859258203 15.999 > 15 16 O 0.92303918823635 0.19594449818098 0.54592140741797 15.999 > 16 *17 O 0.45577816196091 0.13243480756995 0.87189428972313 15.999 > 17 18 O 0.54422183803909 0.63243480756995 0.62810571027687 15.999 > 18 19 O 0.54422183803909 0.86756519243005 0.12810571027686 15.999 > 19 20 O 0.45577816196091 0.36756519243005 0.37189428972313 15.999 > 20 *21 O 0.99250799130566 0.11031974877297 0.29705585663785 15.999 > 21 22 O 0.00749200869434 0.61031974877297 0.20294414336215 15.999 > 22 23 O 0.00749200869434 0.88968025122703 0.70294414336216 15.999 > 23 24 O 0.99250799130566 0.38968025122703 0.79705585663784 15.999 > 24 *25 O 0.50727159211446 0.05248424317716 0.30621312171292 15.999 > 25 26 O 0.49272840788554 0.55248424317716 0.19378687828708 15.999 > 26 27 O 0.49272840788554 0.94751575682284 0.69378687828708 15.999 > 27 28 O 0.50727159211446 0.44751575682284 0.80621312171292 15.999 > 28 *29 O 0.05818218762707 0.35416937628536 0.37520567969131 15.999 > 29 30 O 0.94181781237293 0.85416937628536 0.12479432030869 15.999 > 30 31 O 0.94181781237293 0.64583062371464 0.62479432030869 15.999 > 31 32 O 0.05818218762707 0.14583062371464 0.87520567969131 15.999 > 32 *33 P 0.55886757388593 0.41208161097412 0.24289487608017 30.974 > 33 34 P 0.44113242611407 0.91208161097412 0.25710512391983 30.974 > 34 35 P 0.55886757388593 0.08791838902588 0.74289487608017 30.974 > 35 36 P 0.44113242611407 0.58791838902588 0.75710512391983 30.974 > 36 *37 P 0.04840946575444 0.29700987244566 0.92687141449275 30.974 > 37 38 P 0.95159053424556 0.79700987244566 0.57312858550725 30.974 > 38 39 P 0.95159053424556 0.70299012755434 0.07312858550725 30.974 > 39 40 P 0.04840946575444 0.20299012755434 0.42687141449275 30.974 > 40 *41 Zn 0.41673155282275 0.31871990878407 0.94145912813392 65.380 > 41 42 Zn 0.58326844717725 0.68128009121593 0.05854087186608 65.380 > 42 *43 Zn 0.92774824846068 0.42511903724931 0.20984308228253 65.380 > 43 44 Zn 0.58326844717725 0.81871990878407 0.55854087186608 65.380 > 44 45 Zn 0.07225175153932 0.57488096275069 0.79015691771747 65.380 > 45 46 Zn 0.92774824846068 0.07488096275069 0.70984308228253 65.380 > 46 47 Zn 0.07225175153932 0.92511903724931 0.29015691771747 65.380 > 47 48 Zn 0.41673155282275 0.18128009121593 0.44145912813392 65.380 > 48 *49 Ba 0.74638523936236 0.08357362440580 0.10463784332739 137.327 > 49 50 Ba 0.25361476063764 0.58357362440580 0.39536215667261 137.327 > 50 51 Ba 0.25361476063764 0.91642637559420 0.89536215667261 137.327 > 51 52 Ba 0.74638523936236 0.41642637559420 0.60463784332739 137.327 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.167307782201625 0.000000000000000 0.000000000000000 b 0.000000000000000 9.777603369999998 0.000000000000000 c -0.251922189690479 0.000000000000000 9.150589536557973 Atomic positions (fractional): *1 O 0.13608675157394 0.57787711968205 0.69361770140378 15.999 > 1 2 O 0.63608675157394 0.57787711968205 0.69361770140378 15.999 > 1 3 O 0.36391324842606 0.07787711968205 0.80638229859622 15.999 > 2 4 O 0.86391324842606 0.07787711968205 0.80638229859622 15.999 > 2 5 O 0.36391324842606 0.42212288031795 0.30638229859622 15.999 > 3 6 O 0.86391324842606 0.42212288031795 0.30638229859622 15.999 > 3 7 O 0.13608675157394 0.92212288031795 0.19361770140378 15.999 > 4 8 O 0.63608675157394 0.92212288031795 0.19361770140378 15.999 > 4 *9 O 0.10249990026891 0.34857303014895 0.99042677093054 15.999 > 5 10 O 0.60249990026890 0.34857303014895 0.99042677093054 15.999 > 5 11 O 0.39750009973110 0.84857303014895 0.50957322906946 15.999 > 6 12 O 0.89750009973110 0.84857303014895 0.50957322906946 15.999 > 6 13 O 0.39750009973110 0.65142696985105 0.00957322906946 15.999 > 7 14 O 0.89750009973110 0.65142696985105 0.00957322906946 15.999 > 7 15 O 0.10249990026891 0.15142696985105 0.49042677093054 15.999 > 8 16 O 0.60249990026890 0.15142696985105 0.49042677093054 15.999 > 8 *17 O 0.27740470491894 0.30853700969574 0.11601184960286 15.999 > 9 18 O 0.77740470491894 0.30853700969574 0.11601184960286 15.999 > 9 19 O 0.22259529508106 0.80853700969575 0.38398815039714 15.999 > 10 20 O 0.72259529508106 0.80853700969575 0.38398815039714 15.999 > 10 21 O 0.22259529508106 0.69146299030425 0.88398815039714 15.999 > 11 22 O 0.72259529508106 0.69146299030425 0.88398815039714 15.999 > 11 23 O 0.27740470491894 0.19146299030426 0.61601184960286 15.999 > 12 24 O 0.77740470491894 0.19146299030426 0.61601184960286 15.999 > 12 *25 O 0.46151959411817 0.30405550181902 0.04592140741797 15.999 > 13 26 O 0.96151959411817 0.30405550181902 0.04592140741797 15.999 > 13 27 O 0.03848040588183 0.80405550181902 0.45407859258203 15.999 > 14 28 O 0.53848040588183 0.80405550181902 0.45407859258203 15.999 > 14 29 O 0.03848040588183 0.69594449818098 0.95407859258203 15.999 > 15 30 O 0.53848040588183 0.69594449818098 0.95407859258203 15.999 > 15 31 O 0.46151959411817 0.19594449818098 0.54592140741797 15.999 > 16 32 O 0.96151959411817 0.19594449818098 0.54592140741797 15.999 > 16 *33 O 0.22788908098045 0.13243480756995 0.87189428972313 15.999 > 17 34 O 0.72788908098045 0.13243480756995 0.87189428972313 15.999 > 17 35 O 0.27211091901955 0.63243480756995 0.62810571027687 15.999 > 18 36 O 0.77211091901955 0.63243480756995 0.62810571027687 15.999 > 18 37 O 0.27211091901955 0.86756519243005 0.12810571027686 15.999 > 19 38 O 0.77211091901955 0.86756519243005 0.12810571027686 15.999 > 19 39 O 0.22788908098045 0.36756519243005 0.37189428972313 15.999 > 20 40 O 0.72788908098045 0.36756519243005 0.37189428972313 15.999 > 20 *41 O 0.49625399565283 0.11031974877297 0.29705585663785 15.999 > 21 42 O 0.99625399565283 0.11031974877297 0.29705585663785 15.999 > 21 43 O 0.00374600434717 0.61031974877297 0.20294414336215 15.999 > 22 44 O 0.50374600434717 0.61031974877297 0.20294414336215 15.999 > 22 45 O 0.00374600434717 0.88968025122703 0.70294414336216 15.999 > 23 46 O 0.50374600434717 0.88968025122703 0.70294414336216 15.999 > 23 47 O 0.49625399565283 0.38968025122703 0.79705585663784 15.999 > 24 48 O 0.99625399565283 0.38968025122703 0.79705585663784 15.999 > 24 *49 O 0.25363579605723 0.05248424317716 0.30621312171292 15.999 > 25 50 O 0.75363579605723 0.05248424317716 0.30621312171292 15.999 > 25 51 O 0.24636420394277 0.55248424317716 0.19378687828708 15.999 > 26 52 O 0.74636420394277 0.55248424317716 0.19378687828708 15.999 > 26 53 O 0.24636420394277 0.94751575682284 0.69378687828708 15.999 > 27 54 O 0.74636420394277 0.94751575682284 0.69378687828708 15.999 > 27 55 O 0.25363579605723 0.44751575682284 0.80621312171292 15.999 > 28 56 O 0.75363579605723 0.44751575682284 0.80621312171292 15.999 > 28 *57 O 0.02909109381353 0.35416937628536 0.37520567969131 15.999 > 29 58 O 0.52909109381353 0.35416937628536 0.37520567969131 15.999 > 29 59 O 0.47090890618647 0.85416937628536 0.12479432030869 15.999 > 30 60 O 0.97090890618647 0.85416937628536 0.12479432030869 15.999 > 30 61 O 0.47090890618647 0.64583062371464 0.62479432030869 15.999 > 31 62 O 0.97090890618647 0.64583062371464 0.62479432030869 15.999 > 31 63 O 0.02909109381353 0.14583062371464 0.87520567969131 15.999 > 32 64 O 0.52909109381353 0.14583062371464 0.87520567969131 15.999 > 32 *65 P 0.27943378694296 0.41208161097412 0.24289487608017 30.974 > 33 66 P 0.77943378694296 0.41208161097412 0.24289487608017 30.974 > 33 67 P 0.22056621305704 0.91208161097412 0.25710512391983 30.974 > 34 68 P 0.72056621305704 0.91208161097412 0.25710512391983 30.974 > 34 69 P 0.27943378694296 0.08791838902588 0.74289487608017 30.974 > 35 70 P 0.77943378694296 0.08791838902588 0.74289487608017 30.974 > 35 71 P 0.22056621305704 0.58791838902588 0.75710512391983 30.974 > 36 72 P 0.72056621305704 0.58791838902588 0.75710512391983 30.974 > 36 *73 P 0.02420473287722 0.29700987244566 0.92687141449275 30.974 > 37 74 P 0.52420473287722 0.29700987244566 0.92687141449275 30.974 > 37 75 P 0.47579526712278 0.79700987244566 0.57312858550725 30.974 > 38 76 P 0.97579526712278 0.79700987244566 0.57312858550725 30.974 > 38 77 P 0.47579526712278 0.70299012755434 0.07312858550725 30.974 > 39 78 P 0.97579526712278 0.70299012755434 0.07312858550725 30.974 > 39 79 P 0.02420473287722 0.20299012755434 0.42687141449275 30.974 > 40 80 P 0.52420473287722 0.20299012755434 0.42687141449275 30.974 > 40 *81 Zn 0.20836577641138 0.31871990878407 0.94145912813392 65.380 > 41 82 Zn 0.70836577641138 0.31871990878407 0.94145912813392 65.380 > 41 83 Zn 0.29163422358862 0.68128009121593 0.05854087186608 65.380 > 42 84 Zn 0.79163422358862 0.68128009121593 0.05854087186608 65.380 > 42 *85 Zn 0.46387412423034 0.42511903724931 0.20984308228253 65.380 > 43 86 Zn 0.96387412423034 0.42511903724931 0.20984308228253 65.380 > 43 87 Zn 0.29163422358862 0.81871990878407 0.55854087186608 65.380 > 44 88 Zn 0.79163422358862 0.81871990878407 0.55854087186608 65.380 > 44 89 Zn 0.03612587576966 0.57488096275069 0.79015691771747 65.380 > 45 90 Zn 0.53612587576966 0.57488096275069 0.79015691771747 65.380 > 45 91 Zn 0.46387412423034 0.07488096275069 0.70984308228253 65.380 > 46 92 Zn 0.96387412423034 0.07488096275069 0.70984308228253 65.380 > 46 93 Zn 0.03612587576966 0.92511903724931 0.29015691771747 65.380 > 47 94 Zn 0.53612587576966 0.92511903724931 0.29015691771747 65.380 > 47 95 Zn 0.20836577641138 0.18128009121593 0.44145912813392 65.380 > 48 96 Zn 0.70836577641138 0.18128009121593 0.44145912813392 65.380 > 48 *97 Ba 0.37319261968118 0.08357362440580 0.10463784332739 137.327 > 49 98 Ba 0.87319261968118 0.08357362440580 0.10463784332739 137.327 > 49 99 Ba 0.12680738031882 0.58357362440580 0.39536215667261 137.327 > 50 100 Ba 0.62680738031882 0.58357362440580 0.39536215667261 137.327 > 50 101 Ba 0.12680738031882 0.91642637559420 0.89536215667261 137.327 > 51 102 Ba 0.62680738031882 0.91642637559420 0.89536215667261 137.327 > 51 103 Ba 0.37319261968118 0.41642637559420 0.60463784332739 137.327 > 52 104 Ba 0.87319261968118 0.41642637559420 0.60463784332739 137.327 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7898168 0.0000000 -0.0229165 0.0000000 2.8120127 0.0000000 -0.0229181 0.0000000 2.7570120 -------------------------- Born effective charges -------------------------- 1 O -2.4882568 -0.0714783 -0.2603349 -0.0082681 -0.9643151 0.0002421 -0.2122491 -0.0766735 -1.6463373 2 O -2.4882568 0.0714783 -0.2603349 0.0082681 -0.9643151 -0.0002421 -0.2122491 0.0766735 -1.6463373 3 O -2.4882568 -0.0714783 -0.2603349 -0.0082681 -0.9643151 0.0002421 -0.2122491 -0.0766735 -1.6463373 4 O -2.4882568 0.0714783 -0.2603349 0.0082681 -0.9643151 -0.0002421 -0.2122491 0.0766735 -1.6463373 5 O -2.5250898 -0.2824555 -0.3095705 -0.2211965 -1.1437292 -0.0383169 -0.1243760 -0.0989534 -1.1097468 6 O -2.5250898 0.2824555 -0.3095705 0.2211965 -1.1437292 0.0383169 -0.1243760 0.0989534 -1.1097468 7 O -2.5250898 -0.2824555 -0.3095705 -0.2211965 -1.1437292 -0.0383169 -0.1243760 -0.0989534 -1.1097468 8 O -2.5250898 0.2824555 -0.3095705 0.2211965 -1.1437292 0.0383169 -0.1243760 0.0989534 -1.1097468 9 O -1.2410694 0.1272705 -0.2922613 0.2016754 -1.7055193 -0.5262575 -0.2841018 -0.6601825 -2.0825750 10 O -1.2410694 -0.1272705 -0.2922613 -0.2016754 -1.7055193 0.5262575 -0.2841018 0.6601825 -2.0825750 11 O -1.2410694 0.1272705 -0.2922613 0.2016754 -1.7055193 -0.5262575 -0.2841018 -0.6601825 -2.0825750 12 O -1.2410694 -0.1272705 -0.2922613 -0.2016754 -1.7055193 0.5262575 -0.2841018 0.6601825 -2.0825750 13 O -1.6985822 -0.1918906 0.6760260 -0.1239770 -1.4122763 -0.1564104 0.8641997 -0.2292685 -2.0400331 14 O -1.6985822 0.1918906 0.6760260 0.1239770 -1.4122763 0.1564104 0.8641997 0.2292685 -2.0400331 15 O -1.6985822 -0.1918906 0.6760260 -0.1239770 -1.4122763 -0.1564104 0.8641997 -0.2292685 -2.0400331 16 O -1.6985822 0.1918906 0.6760260 0.1239770 -1.4122763 0.1564104 0.8641997 0.2292685 -2.0400331 17 O -1.6813404 0.1878728 0.5438527 0.1313777 -1.7625635 -0.4343469 0.5567903 -0.3714663 -1.8014110 18 O -1.6813404 -0.1878728 0.5438527 -0.1313777 -1.7625635 0.4343469 0.5567903 0.3714663 -1.8014110 19 O -1.6813404 0.1878728 0.5438527 0.1313777 -1.7625635 -0.4343469 0.5567903 -0.3714663 -1.8014110 20 O -1.6813404 -0.1878728 0.5438527 -0.1313777 -1.7625635 0.4343469 0.5567903 0.3714663 -1.8014110 21 O -1.3076870 0.0064627 -0.4005978 -0.0983486 -2.0273635 -0.7098902 -0.4207332 -0.5362528 -1.7782688 22 O -1.3076870 -0.0064627 -0.4005978 0.0983486 -2.0273635 0.7098902 -0.4207332 0.5362528 -1.7782688 23 O -1.3076870 0.0064627 -0.4005978 -0.0983486 -2.0273635 -0.7098902 -0.4207332 -0.5362528 -1.7782688 24 O -1.3076870 -0.0064627 -0.4005978 0.0983486 -2.0273635 0.7098902 -0.4207332 0.5362528 -1.7782688 25 O -1.3409111 -0.2281528 0.1860618 -0.2813167 -2.2273647 -0.5171987 0.1698972 -0.4525035 -1.4226044 26 O -1.3409111 0.2281528 0.1860618 0.2813167 -2.2273647 0.5171987 0.1698972 0.4525035 -1.4226044 27 O -1.3409111 -0.2281528 0.1860618 -0.2813167 -2.2273647 -0.5171987 0.1698972 -0.4525035 -1.4226044 28 O -1.3409111 0.2281528 0.1860618 0.2813167 -2.2273647 0.5171987 0.1698972 0.4525035 -1.4226044 29 O -1.2833443 0.0233615 -0.1916563 -0.1619353 -2.4741714 0.4653240 -0.0815250 0.5883972 -1.4667749 30 O -1.2833443 -0.0233615 -0.1916563 0.1619353 -2.4741714 -0.4653240 -0.0815250 -0.5883972 -1.4667749 31 O -1.2833443 0.0233615 -0.1916563 -0.1619353 -2.4741714 0.4653240 -0.0815250 0.5883972 -1.4667749 32 O -1.2833443 -0.0233615 -0.1916563 0.1619353 -2.4741714 -0.4653240 -0.0815250 -0.5883972 -1.4667749 33 P 3.3005314 0.0998494 0.1162316 -0.1773855 3.1762683 -0.1122370 -0.0619436 0.2132713 3.3406568 34 P 3.3005314 -0.0998494 0.1162316 0.1773855 3.1762683 0.1122370 -0.0619436 -0.2132713 3.3406568 35 P 3.3005314 -0.0998494 0.1162316 0.1773855 3.1762683 0.1122370 -0.0619436 -0.2132713 3.3406568 36 P 3.3005314 0.0998494 0.1162316 -0.1773855 3.1762683 -0.1122370 -0.0619436 0.2132713 3.3406568 37 P 3.2587619 0.3686500 0.0869159 -0.1923038 3.4834863 -0.2585752 -0.5550208 0.1318146 3.3247248 38 P 3.2587619 -0.3686500 0.0869159 0.1923038 3.4834863 0.2585752 -0.5550208 -0.1318146 3.3247248 39 P 3.2587619 0.3686500 0.0869159 -0.1923038 3.4834863 -0.2585752 -0.5550208 0.1318146 3.3247248 40 P 3.2587619 -0.3686500 0.0869159 0.1923038 3.4834863 0.2585752 -0.5550208 -0.1318146 3.3247248 41 Zn 2.1812329 -0.1905395 0.0009148 0.1022086 2.1307855 -0.0643568 0.1456824 0.0520252 2.0715511 42 Zn 2.1812329 -0.1905395 0.0009148 0.1022086 2.1307855 -0.0643568 0.1456824 0.0520252 2.0715511 43 Zn 1.9767654 -0.0681082 -0.1792342 -0.0127218 2.1556903 -0.1449587 -0.0041610 -0.0085641 2.0558525 44 Zn 2.1812329 0.1905395 0.0009148 -0.1022086 2.1307855 0.0643568 0.1456824 -0.0520252 2.0715511 45 Zn 1.9767654 -0.0681082 -0.1792342 -0.0127218 2.1556903 -0.1449587 -0.0041610 -0.0085641 2.0558525 46 Zn 1.9767654 0.0681082 -0.1792342 0.0127218 2.1556903 0.1449587 -0.0041610 0.0085641 2.0558525 47 Zn 1.9767654 0.0681082 -0.1792342 0.0127218 2.1556903 0.1449587 -0.0041610 0.0085641 2.0558525 48 Zn 2.1812329 0.1905395 0.0009148 -0.1022086 2.1307855 0.0643568 0.1456824 -0.0520252 2.0715511 49 Ba 2.8489894 0.1601546 0.0236522 0.1129147 2.7710724 -0.2010328 0.0075410 -0.1986468 2.5549663 50 Ba 2.8489894 -0.1601546 0.0236522 -0.1129147 2.7710724 0.2010328 0.0075410 0.1986468 2.5549663 51 Ba 2.8489894 0.1601546 0.0236522 0.1129147 2.7710724 -0.2010328 0.0075410 -0.1986468 2.5549663 52 Ba 2.8489894 -0.1601546 0.0236522 -0.1129147 2.7710724 0.2010328 0.0075410 0.1986468 2.5549663 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1600 - Time: 1.882 Solver_block: 200 / 1600 - Time: 1.499 Solver_block: 300 / 1600 - Time: 1.404 Solver_block: 400 / 1600 - Time: 1.530 Solver_block: 500 / 1600 - Time: 1.451 Solver_block: 600 / 1600 - Time: 1.578 Solver_block: 700 / 1600 - Time: 1.491 Solver_block: 800 / 1600 - Time: 1.470 Solver_block: 900 / 1600 - Time: 1.441 Solver_block: 1000 / 1600 - Time: 1.485 Solver_block: 1100 / 1600 - Time: 1.545 Solver_block: 1200 / 1600 - Time: 1.415 Solver_block: 1300 / 1600 - Time: 1.299 Solver_block: 1400 / 1600 - Time: 1.347 Solver_block: 1500 / 1600 - Time: 1.312 Solver_block: 1600 / 1600 - Time: 1.605 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 24.780 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:13:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:13:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.583653891100813 0.000000000000000 0.000000000000000 b 0.000000000000000 9.777603369999998 0.000000000000000 c -0.251922189690479 0.000000000000000 9.150589536557973 Atomic positions (fractional): 1 O 0.27217350314789 0.57787711968205 0.69361770140378 15.999 2 O 0.72782649685211 0.07787711968205 0.80638229859622 15.999 3 O 0.72782649685211 0.42212288031795 0.30638229859622 15.999 4 O 0.27217350314789 0.92212288031795 0.19361770140378 15.999 5 O 0.20499980053781 0.34857303014895 0.99042677093054 15.999 6 O 0.79500019946219 0.84857303014895 0.50957322906946 15.999 7 O 0.79500019946219 0.65142696985105 0.00957322906946 15.999 8 O 0.20499980053781 0.15142696985105 0.49042677093054 15.999 9 O 0.55480940983788 0.30853700969574 0.11601184960286 15.999 10 O 0.44519059016211 0.80853700969575 0.38398815039714 15.999 11 O 0.44519059016211 0.69146299030425 0.88398815039714 15.999 12 O 0.55480940983788 0.19146299030426 0.61601184960286 15.999 13 O 0.92303918823635 0.30405550181902 0.04592140741797 15.999 14 O 0.07696081176365 0.80405550181902 0.45407859258203 15.999 15 O 0.07696081176365 0.69594449818098 0.95407859258203 15.999 16 O 0.92303918823635 0.19594449818098 0.54592140741797 15.999 17 O 0.45577816196091 0.13243480756995 0.87189428972313 15.999 18 O 0.54422183803909 0.63243480756995 0.62810571027687 15.999 19 O 0.54422183803909 0.86756519243005 0.12810571027686 15.999 20 O 0.45577816196091 0.36756519243005 0.37189428972313 15.999 21 O 0.99250799130566 0.11031974877297 0.29705585663785 15.999 22 O 0.00749200869434 0.61031974877297 0.20294414336215 15.999 23 O 0.00749200869434 0.88968025122703 0.70294414336216 15.999 24 O 0.99250799130566 0.38968025122703 0.79705585663784 15.999 25 O 0.50727159211446 0.05248424317716 0.30621312171292 15.999 26 O 0.49272840788554 0.55248424317716 0.19378687828708 15.999 27 O 0.49272840788554 0.94751575682284 0.69378687828708 15.999 28 O 0.50727159211446 0.44751575682284 0.80621312171292 15.999 29 O 0.05818218762707 0.35416937628536 0.37520567969131 15.999 30 O 0.94181781237293 0.85416937628536 0.12479432030869 15.999 31 O 0.94181781237293 0.64583062371464 0.62479432030869 15.999 32 O 0.05818218762707 0.14583062371464 0.87520567969131 15.999 33 P 0.55886757388593 0.41208161097412 0.24289487608017 30.974 34 P 0.44113242611407 0.91208161097412 0.25710512391983 30.974 35 P 0.55886757388593 0.08791838902588 0.74289487608017 30.974 36 P 0.44113242611407 0.58791838902588 0.75710512391983 30.974 37 P 0.04840946575444 0.29700987244566 0.92687141449275 30.974 38 P 0.95159053424556 0.79700987244566 0.57312858550725 30.974 39 P 0.95159053424556 0.70299012755434 0.07312858550725 30.974 40 P 0.04840946575444 0.20299012755434 0.42687141449275 30.974 41 Zn 0.41673155282275 0.31871990878407 0.94145912813392 65.380 42 Zn 0.58326844717725 0.68128009121593 0.05854087186608 65.380 43 Zn 0.92774824846068 0.42511903724931 0.20984308228253 65.380 44 Zn 0.58326844717725 0.81871990878407 0.55854087186608 65.380 45 Zn 0.07225175153932 0.57488096275069 0.79015691771747 65.380 46 Zn 0.92774824846068 0.07488096275069 0.70984308228253 65.380 47 Zn 0.07225175153932 0.92511903724931 0.29015691771747 65.380 48 Zn 0.41673155282275 0.18128009121593 0.44145912813392 65.380 49 Ba 0.74638523936236 0.08357362440580 0.10463784332739 137.327 50 Ba 0.25361476063764 0.58357362440580 0.39536215667261 137.327 51 Ba 0.25361476063764 0.91642637559420 0.89536215667261 137.327 52 Ba 0.74638523936236 0.41642637559420 0.60463784332739 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.167307782201625 0.000000000000000 0.000000000000000 b 0.000000000000000 9.777603369999998 0.000000000000000 c -0.251922189690479 0.000000000000000 9.150589536557973 Atomic positions (fractional): 1 O 0.13608675157394 0.57787711968205 0.69361770140378 15.999 > 1 2 O 0.63608675157394 0.57787711968205 0.69361770140378 15.999 > 1 3 O 0.36391324842606 0.07787711968205 0.80638229859622 15.999 > 3 4 O 0.86391324842606 0.07787711968205 0.80638229859622 15.999 > 3 5 O 0.36391324842606 0.42212288031795 0.30638229859622 15.999 > 5 6 O 0.86391324842606 0.42212288031795 0.30638229859622 15.999 > 5 7 O 0.13608675157394 0.92212288031795 0.19361770140378 15.999 > 7 8 O 0.63608675157394 0.92212288031795 0.19361770140378 15.999 > 7 9 O 0.10249990026891 0.34857303014895 0.99042677093054 15.999 > 9 10 O 0.60249990026890 0.34857303014895 0.99042677093054 15.999 > 9 11 O 0.39750009973110 0.84857303014895 0.50957322906946 15.999 > 11 12 O 0.89750009973110 0.84857303014895 0.50957322906946 15.999 > 11 13 O 0.39750009973110 0.65142696985105 0.00957322906946 15.999 > 13 14 O 0.89750009973110 0.65142696985105 0.00957322906946 15.999 > 13 15 O 0.10249990026891 0.15142696985105 0.49042677093054 15.999 > 15 16 O 0.60249990026890 0.15142696985105 0.49042677093054 15.999 > 15 17 O 0.27740470491894 0.30853700969574 0.11601184960286 15.999 > 17 18 O 0.77740470491894 0.30853700969574 0.11601184960286 15.999 > 17 19 O 0.22259529508106 0.80853700969575 0.38398815039714 15.999 > 19 20 O 0.72259529508106 0.80853700969575 0.38398815039714 15.999 > 19 21 O 0.22259529508106 0.69146299030425 0.88398815039714 15.999 > 21 22 O 0.72259529508106 0.69146299030425 0.88398815039714 15.999 > 21 23 O 0.27740470491894 0.19146299030426 0.61601184960286 15.999 > 23 24 O 0.77740470491894 0.19146299030426 0.61601184960286 15.999 > 23 25 O 0.46151959411817 0.30405550181902 0.04592140741797 15.999 > 25 26 O 0.96151959411817 0.30405550181902 0.04592140741797 15.999 > 25 27 O 0.03848040588183 0.80405550181902 0.45407859258203 15.999 > 27 28 O 0.53848040588183 0.80405550181902 0.45407859258203 15.999 > 27 29 O 0.03848040588183 0.69594449818098 0.95407859258203 15.999 > 29 30 O 0.53848040588183 0.69594449818098 0.95407859258203 15.999 > 29 31 O 0.46151959411817 0.19594449818098 0.54592140741797 15.999 > 31 32 O 0.96151959411817 0.19594449818098 0.54592140741797 15.999 > 31 33 O 0.22788908098045 0.13243480756995 0.87189428972313 15.999 > 33 34 O 0.72788908098045 0.13243480756995 0.87189428972313 15.999 > 33 35 O 0.27211091901955 0.63243480756995 0.62810571027687 15.999 > 35 36 O 0.77211091901955 0.63243480756995 0.62810571027687 15.999 > 35 37 O 0.27211091901955 0.86756519243005 0.12810571027686 15.999 > 37 38 O 0.77211091901955 0.86756519243005 0.12810571027686 15.999 > 37 39 O 0.22788908098045 0.36756519243005 0.37189428972313 15.999 > 39 40 O 0.72788908098045 0.36756519243005 0.37189428972313 15.999 > 39 41 O 0.49625399565283 0.11031974877297 0.29705585663785 15.999 > 41 42 O 0.99625399565283 0.11031974877297 0.29705585663785 15.999 > 41 43 O 0.00374600434717 0.61031974877297 0.20294414336215 15.999 > 43 44 O 0.50374600434717 0.61031974877297 0.20294414336215 15.999 > 43 45 O 0.00374600434717 0.88968025122703 0.70294414336216 15.999 > 45 46 O 0.50374600434717 0.88968025122703 0.70294414336216 15.999 > 45 47 O 0.49625399565283 0.38968025122703 0.79705585663784 15.999 > 47 48 O 0.99625399565283 0.38968025122703 0.79705585663784 15.999 > 47 49 O 0.25363579605723 0.05248424317716 0.30621312171292 15.999 > 49 50 O 0.75363579605723 0.05248424317716 0.30621312171292 15.999 > 49 51 O 0.24636420394277 0.55248424317716 0.19378687828708 15.999 > 51 52 O 0.74636420394277 0.55248424317716 0.19378687828708 15.999 > 51 53 O 0.24636420394277 0.94751575682284 0.69378687828708 15.999 > 53 54 O 0.74636420394277 0.94751575682284 0.69378687828708 15.999 > 53 55 O 0.25363579605723 0.44751575682284 0.80621312171292 15.999 > 55 56 O 0.75363579605723 0.44751575682284 0.80621312171292 15.999 > 55 57 O 0.02909109381353 0.35416937628536 0.37520567969131 15.999 > 57 58 O 0.52909109381353 0.35416937628536 0.37520567969131 15.999 > 57 59 O 0.47090890618647 0.85416937628536 0.12479432030869 15.999 > 59 60 O 0.97090890618647 0.85416937628536 0.12479432030869 15.999 > 59 61 O 0.47090890618647 0.64583062371464 0.62479432030869 15.999 > 61 62 O 0.97090890618647 0.64583062371464 0.62479432030869 15.999 > 61 63 O 0.02909109381353 0.14583062371464 0.87520567969131 15.999 > 63 64 O 0.52909109381353 0.14583062371464 0.87520567969131 15.999 > 63 65 P 0.27943378694296 0.41208161097412 0.24289487608017 30.974 > 65 66 P 0.77943378694296 0.41208161097412 0.24289487608017 30.974 > 65 67 P 0.22056621305704 0.91208161097412 0.25710512391983 30.974 > 67 68 P 0.72056621305704 0.91208161097412 0.25710512391983 30.974 > 67 69 P 0.27943378694296 0.08791838902588 0.74289487608017 30.974 > 69 70 P 0.77943378694296 0.08791838902588 0.74289487608017 30.974 > 69 71 P 0.22056621305704 0.58791838902588 0.75710512391983 30.974 > 71 72 P 0.72056621305704 0.58791838902588 0.75710512391983 30.974 > 71 73 P 0.02420473287722 0.29700987244566 0.92687141449275 30.974 > 73 74 P 0.52420473287722 0.29700987244566 0.92687141449275 30.974 > 73 75 P 0.47579526712278 0.79700987244566 0.57312858550725 30.974 > 75 76 P 0.97579526712278 0.79700987244566 0.57312858550725 30.974 > 75 77 P 0.47579526712278 0.70299012755434 0.07312858550725 30.974 > 77 78 P 0.97579526712278 0.70299012755434 0.07312858550725 30.974 > 77 79 P 0.02420473287722 0.20299012755434 0.42687141449275 30.974 > 79 80 P 0.52420473287722 0.20299012755434 0.42687141449275 30.974 > 79 81 Zn 0.20836577641138 0.31871990878407 0.94145912813392 65.380 > 81 82 Zn 0.70836577641138 0.31871990878407 0.94145912813392 65.380 > 81 83 Zn 0.29163422358862 0.68128009121593 0.05854087186608 65.380 > 83 84 Zn 0.79163422358862 0.68128009121593 0.05854087186608 65.380 > 83 85 Zn 0.46387412423034 0.42511903724931 0.20984308228253 65.380 > 85 86 Zn 0.96387412423034 0.42511903724931 0.20984308228253 65.380 > 85 87 Zn 0.29163422358862 0.81871990878407 0.55854087186608 65.380 > 87 88 Zn 0.79163422358862 0.81871990878407 0.55854087186608 65.380 > 87 89 Zn 0.03612587576966 0.57488096275069 0.79015691771747 65.380 > 89 90 Zn 0.53612587576966 0.57488096275069 0.79015691771747 65.380 > 89 91 Zn 0.46387412423034 0.07488096275069 0.70984308228253 65.380 > 91 92 Zn 0.96387412423034 0.07488096275069 0.70984308228253 65.380 > 91 93 Zn 0.03612587576966 0.92511903724931 0.29015691771747 65.380 > 93 94 Zn 0.53612587576966 0.92511903724931 0.29015691771747 65.380 > 93 95 Zn 0.20836577641138 0.18128009121593 0.44145912813392 65.380 > 95 96 Zn 0.70836577641138 0.18128009121593 0.44145912813392 65.380 > 95 97 Ba 0.37319261968118 0.08357362440580 0.10463784332739 137.327 > 97 98 Ba 0.87319261968118 0.08357362440580 0.10463784332739 137.327 > 97 99 Ba 0.12680738031882 0.58357362440580 0.39536215667261 137.327 > 99 100 Ba 0.62680738031882 0.58357362440580 0.39536215667261 137.327 > 99 101 Ba 0.12680738031882 0.91642637559420 0.89536215667261 137.327 > 101 102 Ba 0.62680738031882 0.91642637559420 0.89536215667261 137.327 > 101 103 Ba 0.37319261968118 0.41642637559420 0.60463784332739 137.327 > 103 104 Ba 0.87319261968118 0.41642637559420 0.60463784332739 137.327 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7898168 0.0000000 -0.0229165 0.0000000 2.8120127 0.0000000 -0.0229181 0.0000000 2.7570120 -------------------------- Born effective charges -------------------------- 1 O -2.4882568 -0.0714783 -0.2603349 -0.0082681 -0.9643151 0.0002421 -0.2122491 -0.0766735 -1.6463373 2 O -2.4882568 0.0714783 -0.2603349 0.0082681 -0.9643151 -0.0002421 -0.2122491 0.0766735 -1.6463373 3 O -2.4882568 -0.0714783 -0.2603349 -0.0082681 -0.9643151 0.0002421 -0.2122491 -0.0766735 -1.6463373 4 O -2.4882568 0.0714783 -0.2603349 0.0082681 -0.9643151 -0.0002421 -0.2122491 0.0766735 -1.6463373 5 O -2.5250898 -0.2824555 -0.3095705 -0.2211965 -1.1437292 -0.0383169 -0.1243760 -0.0989534 -1.1097468 6 O -2.5250898 0.2824555 -0.3095705 0.2211965 -1.1437292 0.0383169 -0.1243760 0.0989534 -1.1097468 7 O -2.5250898 -0.2824555 -0.3095705 -0.2211965 -1.1437292 -0.0383169 -0.1243760 -0.0989534 -1.1097468 8 O -2.5250898 0.2824555 -0.3095705 0.2211965 -1.1437292 0.0383169 -0.1243760 0.0989534 -1.1097468 9 O -1.2410694 0.1272705 -0.2922613 0.2016754 -1.7055193 -0.5262575 -0.2841018 -0.6601825 -2.0825750 10 O -1.2410694 -0.1272705 -0.2922613 -0.2016754 -1.7055193 0.5262575 -0.2841018 0.6601825 -2.0825750 11 O -1.2410694 0.1272705 -0.2922613 0.2016754 -1.7055193 -0.5262575 -0.2841018 -0.6601825 -2.0825750 12 O -1.2410694 -0.1272705 -0.2922613 -0.2016754 -1.7055193 0.5262575 -0.2841018 0.6601825 -2.0825750 13 O -1.6985822 -0.1918906 0.6760260 -0.1239770 -1.4122763 -0.1564104 0.8641997 -0.2292685 -2.0400331 14 O -1.6985822 0.1918906 0.6760260 0.1239770 -1.4122763 0.1564104 0.8641997 0.2292685 -2.0400331 15 O -1.6985822 -0.1918906 0.6760260 -0.1239770 -1.4122763 -0.1564104 0.8641997 -0.2292685 -2.0400331 16 O -1.6985822 0.1918906 0.6760260 0.1239770 -1.4122763 0.1564104 0.8641997 0.2292685 -2.0400331 17 O -1.6813404 0.1878728 0.5438527 0.1313777 -1.7625635 -0.4343469 0.5567903 -0.3714663 -1.8014110 18 O -1.6813404 -0.1878728 0.5438527 -0.1313777 -1.7625635 0.4343469 0.5567903 0.3714663 -1.8014110 19 O -1.6813404 0.1878728 0.5438527 0.1313777 -1.7625635 -0.4343469 0.5567903 -0.3714663 -1.8014110 20 O -1.6813404 -0.1878728 0.5438527 -0.1313777 -1.7625635 0.4343469 0.5567903 0.3714663 -1.8014110 21 O -1.3076870 0.0064627 -0.4005978 -0.0983486 -2.0273635 -0.7098902 -0.4207332 -0.5362528 -1.7782688 22 O -1.3076870 -0.0064627 -0.4005978 0.0983486 -2.0273635 0.7098902 -0.4207332 0.5362528 -1.7782688 23 O -1.3076870 0.0064627 -0.4005978 -0.0983486 -2.0273635 -0.7098902 -0.4207332 -0.5362528 -1.7782688 24 O -1.3076870 -0.0064627 -0.4005978 0.0983486 -2.0273635 0.7098902 -0.4207332 0.5362528 -1.7782688 25 O -1.3409111 -0.2281528 0.1860618 -0.2813167 -2.2273647 -0.5171987 0.1698972 -0.4525035 -1.4226044 26 O -1.3409111 0.2281528 0.1860618 0.2813167 -2.2273647 0.5171987 0.1698972 0.4525035 -1.4226044 27 O -1.3409111 -0.2281528 0.1860618 -0.2813167 -2.2273647 -0.5171987 0.1698972 -0.4525035 -1.4226044 28 O -1.3409111 0.2281528 0.1860618 0.2813167 -2.2273647 0.5171987 0.1698972 0.4525035 -1.4226044 29 O -1.2833443 0.0233615 -0.1916563 -0.1619353 -2.4741714 0.4653240 -0.0815250 0.5883972 -1.4667749 30 O -1.2833443 -0.0233615 -0.1916563 0.1619353 -2.4741714 -0.4653240 -0.0815250 -0.5883972 -1.4667749 31 O -1.2833443 0.0233615 -0.1916563 -0.1619353 -2.4741714 0.4653240 -0.0815250 0.5883972 -1.4667749 32 O -1.2833443 -0.0233615 -0.1916563 0.1619353 -2.4741714 -0.4653240 -0.0815250 -0.5883972 -1.4667749 33 P 3.3005314 0.0998494 0.1162316 -0.1773855 3.1762683 -0.1122370 -0.0619436 0.2132713 3.3406568 34 P 3.3005314 -0.0998494 0.1162316 0.1773855 3.1762683 0.1122370 -0.0619436 -0.2132713 3.3406568 35 P 3.3005314 -0.0998494 0.1162316 0.1773855 3.1762683 0.1122370 -0.0619436 -0.2132713 3.3406568 36 P 3.3005314 0.0998494 0.1162316 -0.1773855 3.1762683 -0.1122370 -0.0619436 0.2132713 3.3406568 37 P 3.2587619 0.3686500 0.0869159 -0.1923038 3.4834863 -0.2585752 -0.5550208 0.1318146 3.3247248 38 P 3.2587619 -0.3686500 0.0869159 0.1923038 3.4834863 0.2585752 -0.5550208 -0.1318146 3.3247248 39 P 3.2587619 0.3686500 0.0869159 -0.1923038 3.4834863 -0.2585752 -0.5550208 0.1318146 3.3247248 40 P 3.2587619 -0.3686500 0.0869159 0.1923038 3.4834863 0.2585752 -0.5550208 -0.1318146 3.3247248 41 Zn 2.1812329 -0.1905395 0.0009148 0.1022086 2.1307855 -0.0643568 0.1456824 0.0520252 2.0715511 42 Zn 2.1812329 -0.1905395 0.0009148 0.1022086 2.1307855 -0.0643568 0.1456824 0.0520252 2.0715511 43 Zn 1.9767654 -0.0681082 -0.1792342 -0.0127218 2.1556903 -0.1449587 -0.0041610 -0.0085641 2.0558525 44 Zn 2.1812329 0.1905395 0.0009148 -0.1022086 2.1307855 0.0643568 0.1456824 -0.0520252 2.0715511 45 Zn 1.9767654 -0.0681082 -0.1792342 -0.0127218 2.1556903 -0.1449587 -0.0041610 -0.0085641 2.0558525 46 Zn 1.9767654 0.0681082 -0.1792342 0.0127218 2.1556903 0.1449587 -0.0041610 0.0085641 2.0558525 47 Zn 1.9767654 0.0681082 -0.1792342 0.0127218 2.1556903 0.1449587 -0.0041610 0.0085641 2.0558525 48 Zn 2.1812329 0.1905395 0.0009148 -0.1022086 2.1307855 0.0643568 0.1456824 -0.0520252 2.0715511 49 Ba 2.8489894 0.1601546 0.0236522 0.1129147 2.7710724 -0.2010328 0.0075410 -0.1986468 2.5549663 50 Ba 2.8489894 -0.1601546 0.0236522 -0.1129147 2.7710724 0.2010328 0.0075410 0.1986468 2.5549663 51 Ba 2.8489894 0.1601546 0.0236522 0.1129147 2.7710724 -0.2010328 0.0075410 -0.1986468 2.5549663 52 Ba 2.8489894 -0.1601546 0.0236522 -0.1129147 2.7710724 0.2010328 0.0075410 0.1986468 2.5549663 ---------------------------------------------------------------------------- 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 17, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 25, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 41, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 57, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 81, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 85, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): 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 2026-01-07 21:14:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:14:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.583653891100813 0.000000000000000 0.000000000000000 b 0.000000000000000 9.777603369999998 0.000000000000000 c -0.251922189690479 0.000000000000000 9.150589536557973 Atomic positions (fractional): 1 O 0.27217350314789 0.57787711968205 0.69361770140378 15.999 2 O 0.72782649685211 0.07787711968205 0.80638229859622 15.999 3 O 0.72782649685211 0.42212288031795 0.30638229859622 15.999 4 O 0.27217350314789 0.92212288031795 0.19361770140378 15.999 5 O 0.20499980053781 0.34857303014895 0.99042677093054 15.999 6 O 0.79500019946219 0.84857303014895 0.50957322906946 15.999 7 O 0.79500019946219 0.65142696985105 0.00957322906946 15.999 8 O 0.20499980053781 0.15142696985105 0.49042677093054 15.999 9 O 0.55480940983788 0.30853700969574 0.11601184960286 15.999 10 O 0.44519059016211 0.80853700969575 0.38398815039714 15.999 11 O 0.44519059016211 0.69146299030425 0.88398815039714 15.999 12 O 0.55480940983788 0.19146299030426 0.61601184960286 15.999 13 O 0.92303918823635 0.30405550181902 0.04592140741797 15.999 14 O 0.07696081176365 0.80405550181902 0.45407859258203 15.999 15 O 0.07696081176365 0.69594449818098 0.95407859258203 15.999 16 O 0.92303918823635 0.19594449818098 0.54592140741797 15.999 17 O 0.45577816196091 0.13243480756995 0.87189428972313 15.999 18 O 0.54422183803909 0.63243480756995 0.62810571027687 15.999 19 O 0.54422183803909 0.86756519243005 0.12810571027686 15.999 20 O 0.45577816196091 0.36756519243005 0.37189428972313 15.999 21 O 0.99250799130566 0.11031974877297 0.29705585663785 15.999 22 O 0.00749200869434 0.61031974877297 0.20294414336215 15.999 23 O 0.00749200869434 0.88968025122703 0.70294414336216 15.999 24 O 0.99250799130566 0.38968025122703 0.79705585663784 15.999 25 O 0.50727159211446 0.05248424317716 0.30621312171292 15.999 26 O 0.49272840788554 0.55248424317716 0.19378687828708 15.999 27 O 0.49272840788554 0.94751575682284 0.69378687828708 15.999 28 O 0.50727159211446 0.44751575682284 0.80621312171292 15.999 29 O 0.05818218762707 0.35416937628536 0.37520567969131 15.999 30 O 0.94181781237293 0.85416937628536 0.12479432030869 15.999 31 O 0.94181781237293 0.64583062371464 0.62479432030869 15.999 32 O 0.05818218762707 0.14583062371464 0.87520567969131 15.999 33 P 0.55886757388593 0.41208161097412 0.24289487608017 30.974 34 P 0.44113242611407 0.91208161097412 0.25710512391983 30.974 35 P 0.55886757388593 0.08791838902588 0.74289487608017 30.974 36 P 0.44113242611407 0.58791838902588 0.75710512391983 30.974 37 P 0.04840946575444 0.29700987244566 0.92687141449275 30.974 38 P 0.95159053424556 0.79700987244566 0.57312858550725 30.974 39 P 0.95159053424556 0.70299012755434 0.07312858550725 30.974 40 P 0.04840946575444 0.20299012755434 0.42687141449275 30.974 41 Zn 0.41673155282275 0.31871990878407 0.94145912813392 65.380 42 Zn 0.58326844717725 0.68128009121593 0.05854087186608 65.380 43 Zn 0.92774824846068 0.42511903724931 0.20984308228253 65.380 44 Zn 0.58326844717725 0.81871990878407 0.55854087186608 65.380 45 Zn 0.07225175153932 0.57488096275069 0.79015691771747 65.380 46 Zn 0.92774824846068 0.07488096275069 0.70984308228253 65.380 47 Zn 0.07225175153932 0.92511903724931 0.29015691771747 65.380 48 Zn 0.41673155282275 0.18128009121593 0.44145912813392 65.380 49 Ba 0.74638523936236 0.08357362440580 0.10463784332739 137.327 50 Ba 0.25361476063764 0.58357362440580 0.39536215667261 137.327 51 Ba 0.25361476063764 0.91642637559420 0.89536215667261 137.327 52 Ba 0.74638523936236 0.41642637559420 0.60463784332739 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.167307782201625 0.000000000000000 0.000000000000000 b 0.000000000000000 9.777603369999998 0.000000000000000 c -0.251922189690479 0.000000000000000 9.150589536557973 Atomic positions (fractional): 1 O 0.13608675157394 0.57787711968205 0.69361770140378 15.999 > 1 2 O 0.63608675157394 0.57787711968205 0.69361770140378 15.999 > 1 3 O 0.36391324842606 0.07787711968205 0.80638229859622 15.999 > 3 4 O 0.86391324842606 0.07787711968205 0.80638229859622 15.999 > 3 5 O 0.36391324842606 0.42212288031795 0.30638229859622 15.999 > 5 6 O 0.86391324842606 0.42212288031795 0.30638229859622 15.999 > 5 7 O 0.13608675157394 0.92212288031795 0.19361770140378 15.999 > 7 8 O 0.63608675157394 0.92212288031795 0.19361770140378 15.999 > 7 9 O 0.10249990026891 0.34857303014895 0.99042677093054 15.999 > 9 10 O 0.60249990026890 0.34857303014895 0.99042677093054 15.999 > 9 11 O 0.39750009973110 0.84857303014895 0.50957322906946 15.999 > 11 12 O 0.89750009973110 0.84857303014895 0.50957322906946 15.999 > 11 13 O 0.39750009973110 0.65142696985105 0.00957322906946 15.999 > 13 14 O 0.89750009973110 0.65142696985105 0.00957322906946 15.999 > 13 15 O 0.10249990026891 0.15142696985105 0.49042677093054 15.999 > 15 16 O 0.60249990026890 0.15142696985105 0.49042677093054 15.999 > 15 17 O 0.27740470491894 0.30853700969574 0.11601184960286 15.999 > 17 18 O 0.77740470491894 0.30853700969574 0.11601184960286 15.999 > 17 19 O 0.22259529508106 0.80853700969575 0.38398815039714 15.999 > 19 20 O 0.72259529508106 0.80853700969575 0.38398815039714 15.999 > 19 21 O 0.22259529508106 0.69146299030425 0.88398815039714 15.999 > 21 22 O 0.72259529508106 0.69146299030425 0.88398815039714 15.999 > 21 23 O 0.27740470491894 0.19146299030426 0.61601184960286 15.999 > 23 24 O 0.77740470491894 0.19146299030426 0.61601184960286 15.999 > 23 25 O 0.46151959411817 0.30405550181902 0.04592140741797 15.999 > 25 26 O 0.96151959411817 0.30405550181902 0.04592140741797 15.999 > 25 27 O 0.03848040588183 0.80405550181902 0.45407859258203 15.999 > 27 28 O 0.53848040588183 0.80405550181902 0.45407859258203 15.999 > 27 29 O 0.03848040588183 0.69594449818098 0.95407859258203 15.999 > 29 30 O 0.53848040588183 0.69594449818098 0.95407859258203 15.999 > 29 31 O 0.46151959411817 0.19594449818098 0.54592140741797 15.999 > 31 32 O 0.96151959411817 0.19594449818098 0.54592140741797 15.999 > 31 33 O 0.22788908098045 0.13243480756995 0.87189428972313 15.999 > 33 34 O 0.72788908098045 0.13243480756995 0.87189428972313 15.999 > 33 35 O 0.27211091901955 0.63243480756995 0.62810571027687 15.999 > 35 36 O 0.77211091901955 0.63243480756995 0.62810571027687 15.999 > 35 37 O 0.27211091901955 0.86756519243005 0.12810571027686 15.999 > 37 38 O 0.77211091901955 0.86756519243005 0.12810571027686 15.999 > 37 39 O 0.22788908098045 0.36756519243005 0.37189428972313 15.999 > 39 40 O 0.72788908098045 0.36756519243005 0.37189428972313 15.999 > 39 41 O 0.49625399565283 0.11031974877297 0.29705585663785 15.999 > 41 42 O 0.99625399565283 0.11031974877297 0.29705585663785 15.999 > 41 43 O 0.00374600434717 0.61031974877297 0.20294414336215 15.999 > 43 44 O 0.50374600434717 0.61031974877297 0.20294414336215 15.999 > 43 45 O 0.00374600434717 0.88968025122703 0.70294414336216 15.999 > 45 46 O 0.50374600434717 0.88968025122703 0.70294414336216 15.999 > 45 47 O 0.49625399565283 0.38968025122703 0.79705585663784 15.999 > 47 48 O 0.99625399565283 0.38968025122703 0.79705585663784 15.999 > 47 49 O 0.25363579605723 0.05248424317716 0.30621312171292 15.999 > 49 50 O 0.75363579605723 0.05248424317716 0.30621312171292 15.999 > 49 51 O 0.24636420394277 0.55248424317716 0.19378687828708 15.999 > 51 52 O 0.74636420394277 0.55248424317716 0.19378687828708 15.999 > 51 53 O 0.24636420394277 0.94751575682284 0.69378687828708 15.999 > 53 54 O 0.74636420394277 0.94751575682284 0.69378687828708 15.999 > 53 55 O 0.25363579605723 0.44751575682284 0.80621312171292 15.999 > 55 56 O 0.75363579605723 0.44751575682284 0.80621312171292 15.999 > 55 57 O 0.02909109381353 0.35416937628536 0.37520567969131 15.999 > 57 58 O 0.52909109381353 0.35416937628536 0.37520567969131 15.999 > 57 59 O 0.47090890618647 0.85416937628536 0.12479432030869 15.999 > 59 60 O 0.97090890618647 0.85416937628536 0.12479432030869 15.999 > 59 61 O 0.47090890618647 0.64583062371464 0.62479432030869 15.999 > 61 62 O 0.97090890618647 0.64583062371464 0.62479432030869 15.999 > 61 63 O 0.02909109381353 0.14583062371464 0.87520567969131 15.999 > 63 64 O 0.52909109381353 0.14583062371464 0.87520567969131 15.999 > 63 65 P 0.27943378694296 0.41208161097412 0.24289487608017 30.974 > 65 66 P 0.77943378694296 0.41208161097412 0.24289487608017 30.974 > 65 67 P 0.22056621305704 0.91208161097412 0.25710512391983 30.974 > 67 68 P 0.72056621305704 0.91208161097412 0.25710512391983 30.974 > 67 69 P 0.27943378694296 0.08791838902588 0.74289487608017 30.974 > 69 70 P 0.77943378694296 0.08791838902588 0.74289487608017 30.974 > 69 71 P 0.22056621305704 0.58791838902588 0.75710512391983 30.974 > 71 72 P 0.72056621305704 0.58791838902588 0.75710512391983 30.974 > 71 73 P 0.02420473287722 0.29700987244566 0.92687141449275 30.974 > 73 74 P 0.52420473287722 0.29700987244566 0.92687141449275 30.974 > 73 75 P 0.47579526712278 0.79700987244566 0.57312858550725 30.974 > 75 76 P 0.97579526712278 0.79700987244566 0.57312858550725 30.974 > 75 77 P 0.47579526712278 0.70299012755434 0.07312858550725 30.974 > 77 78 P 0.97579526712278 0.70299012755434 0.07312858550725 30.974 > 77 79 P 0.02420473287722 0.20299012755434 0.42687141449275 30.974 > 79 80 P 0.52420473287722 0.20299012755434 0.42687141449275 30.974 > 79 81 Zn 0.20836577641138 0.31871990878407 0.94145912813392 65.380 > 81 82 Zn 0.70836577641138 0.31871990878407 0.94145912813392 65.380 > 81 83 Zn 0.29163422358862 0.68128009121593 0.05854087186608 65.380 > 83 84 Zn 0.79163422358862 0.68128009121593 0.05854087186608 65.380 > 83 85 Zn 0.46387412423034 0.42511903724931 0.20984308228253 65.380 > 85 86 Zn 0.96387412423034 0.42511903724931 0.20984308228253 65.380 > 85 87 Zn 0.29163422358862 0.81871990878407 0.55854087186608 65.380 > 87 88 Zn 0.79163422358862 0.81871990878407 0.55854087186608 65.380 > 87 89 Zn 0.03612587576966 0.57488096275069 0.79015691771747 65.380 > 89 90 Zn 0.53612587576966 0.57488096275069 0.79015691771747 65.380 > 89 91 Zn 0.46387412423034 0.07488096275069 0.70984308228253 65.380 > 91 92 Zn 0.96387412423034 0.07488096275069 0.70984308228253 65.380 > 91 93 Zn 0.03612587576966 0.92511903724931 0.29015691771747 65.380 > 93 94 Zn 0.53612587576966 0.92511903724931 0.29015691771747 65.380 > 93 95 Zn 0.20836577641138 0.18128009121593 0.44145912813392 65.380 > 95 96 Zn 0.70836577641138 0.18128009121593 0.44145912813392 65.380 > 95 97 Ba 0.37319261968118 0.08357362440580 0.10463784332739 137.327 > 97 98 Ba 0.87319261968118 0.08357362440580 0.10463784332739 137.327 > 97 99 Ba 0.12680738031882 0.58357362440580 0.39536215667261 137.327 > 99 100 Ba 0.62680738031882 0.58357362440580 0.39536215667261 137.327 > 99 101 Ba 0.12680738031882 0.91642637559420 0.89536215667261 137.327 > 101 102 Ba 0.62680738031882 0.91642637559420 0.89536215667261 137.327 > 101 103 Ba 0.37319261968118 0.41642637559420 0.60463784332739 137.327 > 103 104 Ba 0.87319261968118 0.41642637559420 0.60463784332739 137.327 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7898168 0.0000000 -0.0229165 0.0000000 2.8120127 0.0000000 -0.0229181 0.0000000 2.7570120 -------------------------- Born effective charges -------------------------- 1 O -2.4882568 -0.0714783 -0.2603349 -0.0082681 -0.9643151 0.0002421 -0.2122491 -0.0766735 -1.6463373 2 O -2.4882568 0.0714783 -0.2603349 0.0082681 -0.9643151 -0.0002421 -0.2122491 0.0766735 -1.6463373 3 O -2.4882568 -0.0714783 -0.2603349 -0.0082681 -0.9643151 0.0002421 -0.2122491 -0.0766735 -1.6463373 4 O -2.4882568 0.0714783 -0.2603349 0.0082681 -0.9643151 -0.0002421 -0.2122491 0.0766735 -1.6463373 5 O -2.5250898 -0.2824555 -0.3095705 -0.2211965 -1.1437292 -0.0383169 -0.1243760 -0.0989534 -1.1097468 6 O -2.5250898 0.2824555 -0.3095705 0.2211965 -1.1437292 0.0383169 -0.1243760 0.0989534 -1.1097468 7 O -2.5250898 -0.2824555 -0.3095705 -0.2211965 -1.1437292 -0.0383169 -0.1243760 -0.0989534 -1.1097468 8 O -2.5250898 0.2824555 -0.3095705 0.2211965 -1.1437292 0.0383169 -0.1243760 0.0989534 -1.1097468 9 O -1.2410694 0.1272705 -0.2922613 0.2016754 -1.7055193 -0.5262575 -0.2841018 -0.6601825 -2.0825750 10 O -1.2410694 -0.1272705 -0.2922613 -0.2016754 -1.7055193 0.5262575 -0.2841018 0.6601825 -2.0825750 11 O -1.2410694 0.1272705 -0.2922613 0.2016754 -1.7055193 -0.5262575 -0.2841018 -0.6601825 -2.0825750 12 O -1.2410694 -0.1272705 -0.2922613 -0.2016754 -1.7055193 0.5262575 -0.2841018 0.6601825 -2.0825750 13 O -1.6985822 -0.1918906 0.6760260 -0.1239770 -1.4122763 -0.1564104 0.8641997 -0.2292685 -2.0400331 14 O -1.6985822 0.1918906 0.6760260 0.1239770 -1.4122763 0.1564104 0.8641997 0.2292685 -2.0400331 15 O -1.6985822 -0.1918906 0.6760260 -0.1239770 -1.4122763 -0.1564104 0.8641997 -0.2292685 -2.0400331 16 O -1.6985822 0.1918906 0.6760260 0.1239770 -1.4122763 0.1564104 0.8641997 0.2292685 -2.0400331 17 O -1.6813404 0.1878728 0.5438527 0.1313777 -1.7625635 -0.4343469 0.5567903 -0.3714663 -1.8014110 18 O -1.6813404 -0.1878728 0.5438527 -0.1313777 -1.7625635 0.4343469 0.5567903 0.3714663 -1.8014110 19 O -1.6813404 0.1878728 0.5438527 0.1313777 -1.7625635 -0.4343469 0.5567903 -0.3714663 -1.8014110 20 O -1.6813404 -0.1878728 0.5438527 -0.1313777 -1.7625635 0.4343469 0.5567903 0.3714663 -1.8014110 21 O -1.3076870 0.0064627 -0.4005978 -0.0983486 -2.0273635 -0.7098902 -0.4207332 -0.5362528 -1.7782688 22 O -1.3076870 -0.0064627 -0.4005978 0.0983486 -2.0273635 0.7098902 -0.4207332 0.5362528 -1.7782688 23 O -1.3076870 0.0064627 -0.4005978 -0.0983486 -2.0273635 -0.7098902 -0.4207332 -0.5362528 -1.7782688 24 O -1.3076870 -0.0064627 -0.4005978 0.0983486 -2.0273635 0.7098902 -0.4207332 0.5362528 -1.7782688 25 O -1.3409111 -0.2281528 0.1860618 -0.2813167 -2.2273647 -0.5171987 0.1698972 -0.4525035 -1.4226044 26 O -1.3409111 0.2281528 0.1860618 0.2813167 -2.2273647 0.5171987 0.1698972 0.4525035 -1.4226044 27 O -1.3409111 -0.2281528 0.1860618 -0.2813167 -2.2273647 -0.5171987 0.1698972 -0.4525035 -1.4226044 28 O -1.3409111 0.2281528 0.1860618 0.2813167 -2.2273647 0.5171987 0.1698972 0.4525035 -1.4226044 29 O -1.2833443 0.0233615 -0.1916563 -0.1619353 -2.4741714 0.4653240 -0.0815250 0.5883972 -1.4667749 30 O -1.2833443 -0.0233615 -0.1916563 0.1619353 -2.4741714 -0.4653240 -0.0815250 -0.5883972 -1.4667749 31 O -1.2833443 0.0233615 -0.1916563 -0.1619353 -2.4741714 0.4653240 -0.0815250 0.5883972 -1.4667749 32 O -1.2833443 -0.0233615 -0.1916563 0.1619353 -2.4741714 -0.4653240 -0.0815250 -0.5883972 -1.4667749 33 P 3.3005314 0.0998494 0.1162316 -0.1773855 3.1762683 -0.1122370 -0.0619436 0.2132713 3.3406568 34 P 3.3005314 -0.0998494 0.1162316 0.1773855 3.1762683 0.1122370 -0.0619436 -0.2132713 3.3406568 35 P 3.3005314 -0.0998494 0.1162316 0.1773855 3.1762683 0.1122370 -0.0619436 -0.2132713 3.3406568 36 P 3.3005314 0.0998494 0.1162316 -0.1773855 3.1762683 -0.1122370 -0.0619436 0.2132713 3.3406568 37 P 3.2587619 0.3686500 0.0869159 -0.1923038 3.4834863 -0.2585752 -0.5550208 0.1318146 3.3247248 38 P 3.2587619 -0.3686500 0.0869159 0.1923038 3.4834863 0.2585752 -0.5550208 -0.1318146 3.3247248 39 P 3.2587619 0.3686500 0.0869159 -0.1923038 3.4834863 -0.2585752 -0.5550208 0.1318146 3.3247248 40 P 3.2587619 -0.3686500 0.0869159 0.1923038 3.4834863 0.2585752 -0.5550208 -0.1318146 3.3247248 41 Zn 2.1812329 -0.1905395 0.0009148 0.1022086 2.1307855 -0.0643568 0.1456824 0.0520252 2.0715511 42 Zn 2.1812329 -0.1905395 0.0009148 0.1022086 2.1307855 -0.0643568 0.1456824 0.0520252 2.0715511 43 Zn 1.9767654 -0.0681082 -0.1792342 -0.0127218 2.1556903 -0.1449587 -0.0041610 -0.0085641 2.0558525 44 Zn 2.1812329 0.1905395 0.0009148 -0.1022086 2.1307855 0.0643568 0.1456824 -0.0520252 2.0715511 45 Zn 1.9767654 -0.0681082 -0.1792342 -0.0127218 2.1556903 -0.1449587 -0.0041610 -0.0085641 2.0558525 46 Zn 1.9767654 0.0681082 -0.1792342 0.0127218 2.1556903 0.1449587 -0.0041610 0.0085641 2.0558525 47 Zn 1.9767654 0.0681082 -0.1792342 0.0127218 2.1556903 0.1449587 -0.0041610 0.0085641 2.0558525 48 Zn 2.1812329 0.1905395 0.0009148 -0.1022086 2.1307855 0.0643568 0.1456824 -0.0520252 2.0715511 49 Ba 2.8489894 0.1601546 0.0236522 0.1129147 2.7710724 -0.2010328 0.0075410 -0.1986468 2.5549663 50 Ba 2.8489894 -0.1601546 0.0236522 -0.1129147 2.7710724 0.2010328 0.0075410 0.1986468 2.5549663 51 Ba 2.8489894 0.1601546 0.0236522 0.1129147 2.7710724 -0.2010328 0.0075410 -0.1986468 2.5549663 52 Ba 2.8489894 -0.1601546 0.0236522 -0.1129147 2.7710724 0.2010328 0.0075410 0.1986468 2.5549663 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 5 ] 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: 0.45, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 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 1.491 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.657 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.738 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.867 ( 0.000 0.000 0.000) 0.000 3.024 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.606 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.865 ( 0.000 0.000 0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 5.061 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.339 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.910 ( 0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.282 ( 0.000 0.000 0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 6.450 ( 0.000 0.000 0.000) 0.000 7.005 ( 0.000 0.000 0.000) 0.000 7.089 ( 0.000 0.000 0.000) 0.000 7.151 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.049 ( 0.000 0.000 0.000) 0.000 8.180 ( 0.000 0.000 0.000) 0.000 8.381 ( 0.000 0.000 0.000) 0.000 8.511 ( 0.000 0.000 0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 9.144 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.258 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 10.501 ( 0.000 0.000 0.000) 0.000 10.535 ( 0.000 0.000 0.000) 0.000 10.689 ( 0.000 0.000 0.000) 0.000 10.714 ( 0.000 0.000 0.000) 0.000 10.768 ( 0.000 0.000 0.000) 0.000 10.893 ( 0.000 0.000 0.000) 0.000 11.031 ( 0.000 0.000 0.000) 0.000 11.063 ( 0.000 0.000 0.000) 0.000 11.412 ( 0.000 0.000 0.000) 0.000 11.560 ( 0.000 0.000 0.000) 0.000 11.621 ( 0.000 0.000 0.000) 0.000 11.753 ( 0.000 0.000 0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 12.531 ( 0.000 0.000 0.000) 0.000 12.644 ( 0.000 0.000 0.000) 0.000 12.733 ( 0.000 0.000 0.000) 0.000 14.122 ( 0.000 0.000 0.000) 0.000 14.222 ( 0.000 0.000 0.000) 0.000 14.458 ( 0.000 0.000 0.000) 0.000 14.501 ( 0.000 0.000 0.000) 0.000 14.571 ( 0.000 0.000 0.000) 0.000 14.598 ( 0.000 0.000 0.000) 0.000 14.604 ( 0.000 0.000 0.000) 0.000 14.696 ( 0.000 0.000 0.000) 0.000 15.538 ( 0.000 0.000 0.000) 0.000 15.566 ( 0.000 0.000 0.000) 0.000 15.608 ( 0.000 0.000 0.000) 0.000 15.636 ( 0.000 0.000 0.000) 0.000 16.031 ( 0.000 0.000 0.000) 0.000 16.082 ( 0.000 0.000 0.000) 0.000 16.227 ( 0.000 0.000 0.000) 0.000 16.279 ( 0.000 0.000 0.000) 0.000 16.585 ( 0.000 0.000 0.000) 0.000 16.707 ( 0.000 0.000 0.000) 0.000 16.748 ( 0.000 0.000 0.000) 0.000 17.069 ( 0.000 0.000 0.000) 0.000 17.083 ( 0.000 0.000 0.000) 0.000 17.094 ( 0.000 0.000 0.000) 0.000 17.215 ( 0.000 0.000 0.000) 0.000 17.240 ( 0.000 0.000 0.000) 0.000 18.333 ( 0.000 0.000 0.000) 0.000 18.354 ( 0.000 0.000 0.000) 0.000 18.364 ( 0.000 0.000 0.000) 0.000 18.619 ( 0.000 0.000 0.000) 0.000 18.636 ( 0.000 0.000 0.000) 0.000 18.646 ( 0.000 0.000 0.000) 0.000 18.883 ( 0.000 0.000 0.000) 0.000 18.917 ( 0.000 0.000 0.000) 0.000 27.722 ( 0.000 0.000 0.000) 0.000 27.723 ( 0.000 0.000 0.000) 0.000 27.951 ( 0.000 0.000 0.000) 0.000 28.043 ( 0.000 0.000 0.000) 0.000 28.061 ( 0.000 0.000 0.000) 0.000 28.073 ( 0.000 0.000 0.000) 0.000 28.172 ( 0.000 0.000 0.000) 0.000 28.244 ( 0.000 0.000 0.000) 0.000 28.744 ( 0.000 0.000 0.000) 0.000 28.762 ( 0.000 0.000 0.000) 0.000 29.170 ( 0.000 0.000 0.000) 0.000 29.276 ( 0.000 0.000 0.000) 0.000 29.328 ( 0.000 0.000 0.000) 0.000 29.445 ( 0.000 0.000 0.000) 0.000 29.464 ( 0.000 0.000 0.000) 0.000 29.590 ( 0.000 0.000 0.000) 0.000 29.733 ( 0.000 0.000 0.000) 0.000 29.811 ( 0.000 0.000 0.000) 0.000 30.289 ( 0.000 0.000 0.000) 0.000 30.429 ( 0.000 0.000 0.000) 0.000 30.488 ( 0.000 0.000 0.000) 0.000 30.537 ( 0.000 0.000 0.000) 0.000 30.783 ( 0.000 0.000 0.000) 0.000 31.145 ( 0.000 0.000 0.000) 0.000 31.191 ( 0.000 0.000 0.000) 0.000 31.479 ( 0.000 0.000 0.000) 0.000 31.823 ( 0.000 0.000 0.000) 0.000 31.830 ( 0.000 0.000 0.000) 0.000 32.497 ( 0.000 0.000 0.000) 0.000 32.567 ( 0.000 0.000 0.000) 0.000 32.678 ( 0.000 0.000 0.000) 0.000 32.727 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 20.120 0.000 8.121) 21.697 0.524 ( 26.907 0.000 -6.702) 27.730 0.921 ( 43.573 0.000 -4.578) 43.813 1.449 ( -5.070 0.000 4.572) 6.827 1.520 ( 1.307 0.000 2.868) 3.152 1.725 ( -0.210 0.000 1.740) 1.752 1.781 ( 8.822 0.000 5.441) 10.365 1.826 ( 8.825 0.000 -4.362) 9.844 1.875 ( 2.094 0.000 -0.532) 2.160 1.901 ( 0.811 0.000 3.555) 3.646 2.110 ( 0.113 0.000 0.912) 0.919 2.177 ( -0.716 0.000 -9.796) 9.822 2.329 ( -13.273 0.000 0.601) 13.286 2.345 ( -2.590 0.000 4.148) 4.891 2.372 ( 0.570 0.000 -0.573) 0.808 2.555 ( -8.365 0.000 1.670) 8.530 2.586 ( -0.164 0.000 -2.592) 2.597 2.670 ( -13.951 0.000 7.861) 16.013 2.773 ( -4.421 0.000 -2.624) 5.141 2.849 ( -0.022 0.000 -1.920) 1.921 2.907 ( 1.507 0.000 -4.766) 4.998 3.032 ( -1.331 0.000 5.275) 5.441 3.036 ( 0.278 0.000 8.380) 8.385 3.225 ( 0.266 0.000 -0.318) 0.414 3.246 ( 4.090 0.000 -2.616) 4.856 3.298 ( -4.207 0.000 -3.503) 5.475 3.307 ( 0.188 0.000 -0.001) 0.188 3.507 ( -3.750 0.000 -5.591) 6.732 3.541 ( -5.753 0.000 -2.764) 6.383 3.613 ( 2.355 0.000 5.259) 5.762 3.617 ( -2.036 0.000 -2.511) 3.233 3.716 ( -3.405 0.000 4.313) 5.495 3.845 ( 3.480 0.000 3.319) 4.809 3.862 ( -3.276 0.000 -2.130) 3.908 3.946 ( 1.328 0.000 1.691) 2.150 4.005 ( -0.111 0.000 -0.390) 0.406 4.131 ( 1.986 0.000 -1.732) 2.635 4.139 ( 1.360 0.000 6.101) 6.251 4.167 ( 0.914 0.000 -7.194) 7.252 4.290 ( -2.222 0.000 -2.639) 3.450 4.315 ( -1.908 0.000 -0.251) 1.924 4.430 ( 1.501 0.000 -2.597) 2.999 4.455 ( -0.374 0.000 -0.882) 0.958 4.547 ( 1.559 0.000 3.147) 3.511 4.568 ( 1.340 0.000 5.743) 5.897 4.638 ( 7.185 0.000 -3.790) 8.124 4.793 ( -11.337 0.000 2.450) 11.599 5.016 ( -0.095 0.000 -3.653) 3.655 5.060 ( 0.204 0.000 0.614) 0.647 5.083 ( -2.605 0.000 5.726) 6.291 5.185 ( -0.438 0.000 -0.444) 0.624 5.312 ( -2.353 0.000 -3.581) 4.285 5.352 ( 1.246 0.000 -1.266) 1.776 5.608 ( 1.030 0.000 -0.258) 1.062 5.880 ( 1.472 0.000 0.741) 1.648 5.912 ( 0.080 0.000 2.763) 2.764 6.298 ( 1.630 0.000 0.145) 1.636 6.358 ( 0.044 0.000 -0.690) 0.692 6.476 ( 2.367 0.000 -1.917) 3.046 6.636 ( 1.472 0.000 4.038) 4.298 7.045 ( 3.960 0.000 -0.170) 3.964 7.080 ( -0.625 0.000 -0.969) 1.153 7.148 ( -0.219 0.000 1.082) 1.104 7.880 ( 4.561 0.000 6.277) 7.759 7.897 ( -1.780 0.000 0.991) 2.037 8.001 ( -0.131 0.000 1.169) 1.176 8.181 ( 0.063 0.000 0.267) 0.275 8.373 ( -0.633 0.000 -0.313) 0.706 8.401 ( -0.045 0.000 23.595) 23.595 8.680 ( -3.990 0.000 -18.340) 18.769 8.739 ( -0.343 0.000 0.901) 0.964 8.845 ( -1.324 0.000 -0.027) 1.325 9.150 ( 0.650 0.000 0.290) 0.712 9.259 ( 0.492 0.000 1.281) 1.373 9.265 ( 0.729 0.000 1.090) 1.311 9.366 ( 0.222 0.000 -13.122) 13.124 10.497 ( -0.331 0.000 -0.149) 0.363 10.537 ( 0.255 0.000 0.339) 0.424 10.695 ( -1.808 0.000 1.376) 2.273 10.698 ( 0.660 0.000 -1.101) 1.284 10.797 ( 0.536 0.000 -0.797) 0.961 10.901 ( 0.737 0.000 0.040) 0.738 11.056 ( 2.398 0.000 1.058) 2.621 11.068 ( 0.549 0.000 -0.476) 0.727 11.418 ( 0.544 0.000 0.152) 0.565 11.585 ( -1.337 0.000 -5.915) 6.064 11.624 ( 0.096 0.000 -0.209) 0.230 11.749 ( -0.413 0.000 0.307) 0.515 12.484 ( -0.172 0.000 0.011) 0.172 12.541 ( 0.872 0.000 -0.371) 0.948 12.645 ( 0.188 0.000 -0.417) 0.457 12.774 ( -0.864 0.000 2.395) 2.546 14.122 ( 0.144 0.000 -0.383) 0.409 14.220 ( -0.178 0.000 0.461) 0.494 14.451 ( -1.154 0.000 1.185) 1.654 14.543 ( -1.883 0.000 -1.339) 2.311 14.586 ( 0.996 0.000 0.820) 1.290 14.625 ( -0.581 0.000 0.316) 0.661 14.651 ( 2.633 0.000 -2.117) 3.378 14.727 ( 2.398 0.000 -0.066) 2.398 15.559 ( -0.739 0.000 -4.428) 4.490 15.560 ( -0.581 0.000 0.365) 0.686 15.626 ( 1.264 0.000 0.831) 1.513 15.634 ( -0.194 0.000 0.491) 0.528 16.084 ( -0.200 0.000 -5.552) 5.556 16.087 ( 0.484 0.000 -0.083) 0.491 16.237 ( 0.987 0.000 -0.131) 0.996 16.284 ( 0.475 0.000 0.182) 0.509 16.677 ( -0.070 0.000 5.883) 5.883 16.711 ( 0.401 0.000 -0.141) 0.425 16.751 ( 0.264 0.000 -0.302) 0.401 17.038 ( -2.415 0.000 -1.296) 2.741 17.077 ( 0.143 0.000 4.723) 4.725 17.132 ( 1.660 0.000 2.120) 2.692 17.213 ( -0.245 0.000 -0.335) 0.415 17.238 ( -0.055 0.000 -1.438) 1.439 18.326 ( -2.518 0.000 0.950) 2.692 18.377 ( 1.445 0.000 -1.781) 2.293 18.596 ( -1.570 0.000 -0.179) 1.580 18.601 ( -1.762 0.000 1.100) 2.078 18.707 ( 3.508 0.000 -0.607) 3.560 18.739 ( 0.618 0.000 11.996) 12.012 18.877 ( -0.592 0.000 0.485) 0.765 18.931 ( -0.909 0.000 -7.887) 7.940 27.724 ( 0.120 0.000 -0.199) 0.233 27.724 ( -0.114 0.000 1.634) 1.638 27.951 ( 0.009 0.000 0.186) 0.187 28.028 ( -1.066 0.000 -0.312) 1.111 28.063 ( 0.026 0.000 0.198) 0.200 28.085 ( 0.882 0.000 0.159) 0.897 28.172 ( 0.067 0.000 0.119) 0.137 28.242 ( -0.240 0.000 -0.368) 0.439 28.744 ( 0.011 0.000 0.015) 0.019 28.760 ( -0.135 0.000 -0.041) 0.141 29.242 ( -2.954 0.000 0.030) 2.955 29.317 ( -1.098 0.000 0.384) 1.163 29.402 ( 0.873 0.000 -22.334) 22.351 29.436 ( -2.232 0.000 -0.556) 2.300 29.448 ( 0.095 0.000 0.202) 0.223 29.599 ( 0.798 0.000 0.462) 0.922 29.802 ( 2.090 0.000 -5.499) 5.883 30.046 ( -3.668 0.000 -19.785) 20.122 30.167 ( -9.072 0.000 -0.597) 9.091 30.451 ( 0.753 0.000 -1.911) 2.054 30.525 ( 1.591 0.000 1.695) 2.324 30.646 ( 10.515 0.000 -4.456) 11.420 31.113 ( -3.683 0.000 -4.694) 5.966 31.153 ( -3.553 0.000 1.342) 3.797 31.532 ( 6.430 0.000 -3.946) 7.545 31.651 ( -8.315 0.000 10.782) 13.616 31.887 ( 3.905 0.000 8.135) 9.024 31.890 ( -8.134 0.000 18.585) 20.287 32.469 ( -1.724 0.000 -1.793) 2.488 32.733 ( 4.366 0.000 -1.506) 4.618 32.733 ( 13.457 0.000 -1.843) 13.583 33.480 ( -3.565 0.000 9.706) 10.340 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 17.145 0.000 7.344) 18.651 1.032 ( 25.483 0.000 -5.771) 26.128 1.244 ( -5.573 0.000 -0.496) 5.595 1.564 ( 2.682 0.000 5.658) 6.262 1.699 ( 19.048 0.000 -3.928) 19.449 1.747 ( 2.081 0.000 -0.999) 2.308 1.856 ( -7.101 0.000 7.991) 10.690 1.871 ( 0.074 0.000 2.797) 2.798 1.975 ( 4.522 0.000 -2.558) 5.195 2.030 ( -10.614 0.000 -3.531) 11.186 2.103 ( 21.510 0.000 -0.700) 21.521 2.134 ( 2.284 0.000 -5.816) 6.248 2.150 ( -3.490 0.000 2.006) 4.025 2.254 ( -9.608 0.000 4.962) 10.813 2.341 ( 1.439 0.000 4.508) 4.732 2.447 ( -7.061 0.000 -0.260) 7.066 2.451 ( -0.736 0.000 -0.464) 0.870 2.614 ( 3.484 0.000 -3.821) 5.171 2.687 ( -3.029 0.000 0.265) 3.040 2.856 ( 1.772 0.000 1.680) 2.442 2.859 ( -4.446 0.000 3.056) 5.395 3.023 ( -2.182 0.000 8.533) 8.808 3.073 ( 3.056 0.000 -0.938) 3.197 3.181 ( -4.784 0.000 1.604) 5.046 3.236 ( -4.450 0.000 -5.121) 6.785 3.277 ( -3.478 0.000 -5.977) 6.916 3.316 ( 2.129 0.000 -3.371) 3.987 3.396 ( -8.465 0.000 -1.880) 8.672 3.470 ( 4.233 0.000 -2.224) 4.781 3.583 ( -1.542 0.000 -1.089) 1.887 3.596 ( -5.029 0.000 3.843) 6.329 3.636 ( -2.369 0.000 -0.903) 2.535 3.803 ( -6.477 0.000 6.184) 8.956 3.864 ( -5.179 0.000 -2.256) 5.649 3.957 ( 3.130 0.000 1.830) 3.626 4.022 ( 2.731 0.000 0.128) 2.734 4.110 ( -2.462 0.000 -4.194) 4.864 4.152 ( 1.140 0.000 1.096) 1.581 4.217 ( 2.794 0.000 1.656) 3.248 4.278 ( 0.375 0.000 0.455) 0.590 4.311 ( 0.881 0.000 -2.246) 2.413 4.389 ( -6.097 0.000 1.409) 6.258 4.454 ( 0.073 0.000 0.121) 0.141 4.523 ( -4.701 0.000 0.181) 4.705 4.585 ( 0.481 0.000 3.239) 3.274 4.662 ( 3.428 0.000 0.775) 3.514 4.749 ( 3.151 0.000 -2.630) 4.105 4.965 ( -6.425 0.000 -1.907) 6.702 5.087 ( 2.943 0.000 -1.835) 3.469 5.089 ( 2.823 0.000 0.585) 2.883 5.173 ( -0.747 0.000 -0.725) 1.041 5.266 ( -1.945 0.000 -0.805) 2.105 5.377 ( 1.036 0.000 -1.040) 1.468 5.634 ( 1.433 0.000 -0.932) 1.710 5.901 ( 0.584 0.000 0.447) 0.736 5.914 ( -0.146 0.000 3.031) 3.035 6.338 ( 2.087 0.000 0.474) 2.140 6.370 ( 0.960 0.000 -0.652) 1.161 6.518 ( 1.541 0.000 -2.398) 2.851 6.651 ( -0.001 0.000 1.965) 1.965 7.078 ( 0.591 0.000 -0.425) 0.728 7.133 ( 4.104 0.000 -0.182) 4.108 7.145 ( -0.163 0.000 0.659) 0.679 7.850 ( -2.747 0.000 1.117) 2.966 7.989 ( 5.484 0.000 2.353) 5.967 7.999 ( -0.174 0.000 1.218) 1.231 8.183 ( 0.168 0.000 0.412) 0.445 8.362 ( -0.437 0.000 -0.294) 0.527 8.410 ( -0.023 0.000 7.851) 7.851 8.579 ( -4.860 0.000 -7.765) 9.160 8.731 ( -0.442 0.000 0.446) 0.628 8.815 ( -1.408 0.000 -0.134) 1.414 9.168 ( 0.945 0.000 0.414) 1.032 9.268 ( 0.308 0.000 1.168) 1.207 9.285 ( 1.162 0.000 1.533) 1.923 9.358 ( -0.437 0.000 -5.798) 5.815 10.492 ( -0.104 0.000 -0.392) 0.406 10.543 ( 0.273 0.000 0.191) 0.333 10.656 ( -1.989 0.000 1.573) 2.536 10.707 ( 0.263 0.000 -0.382) 0.464 10.810 ( 0.721 0.000 -1.244) 1.438 10.916 ( 0.720 0.000 0.010) 0.720 11.079 ( 0.503 0.000 -0.397) 0.641 11.113 ( 2.938 0.000 0.839) 3.056 11.430 ( 0.620 0.000 0.131) 0.634 11.551 ( -1.692 0.000 -1.649) 2.363 11.624 ( -0.104 0.000 0.096) 0.141 11.740 ( -0.477 0.000 0.273) 0.550 12.481 ( -0.095 0.000 -0.022) 0.098 12.558 ( 0.779 0.000 -0.311) 0.839 12.650 ( 0.266 0.000 -0.503) 0.569 12.757 ( -0.907 0.000 1.102) 1.427 14.130 ( 0.592 0.000 -0.331) 0.678 14.216 ( -0.189 0.000 0.461) 0.499 14.419 ( -1.708 0.000 1.014) 1.986 14.508 ( -1.407 0.000 -0.551) 1.511 14.617 ( -0.325 0.000 -0.029) 0.327 14.626 ( 2.335 0.000 0.345) 2.360 14.692 ( 1.466 0.000 -1.550) 2.133 14.769 ( 1.645 0.000 -0.057) 1.646 15.547 ( -0.354 0.000 -1.970) 2.002 15.548 ( -0.597 0.000 0.361) 0.697 15.631 ( -0.197 0.000 0.516) 0.553 15.647 ( 0.776 0.000 0.753) 1.081 16.077 ( -0.224 0.000 -1.655) 1.670 16.098 ( 0.489 0.000 -0.080) 0.495 16.258 ( 0.949 0.000 -0.116) 0.957 16.294 ( 0.450 0.000 0.192) 0.490 16.679 ( 0.070 0.000 1.831) 1.832 16.720 ( 0.415 0.000 -0.153) 0.442 16.755 ( 0.199 0.000 -0.344) 0.397 16.998 ( -1.522 0.000 -0.703) 1.677 17.085 ( 0.363 0.000 2.436) 2.463 17.152 ( 0.412 0.000 1.590) 1.642 17.206 ( -0.338 0.000 -0.519) 0.619 17.240 ( 0.344 0.000 -1.512) 1.551 18.276 ( -2.279 0.000 0.795) 2.413 18.415 ( 2.342 0.000 -2.737) 3.603 18.558 ( -2.596 0.000 2.190) 3.397 18.575 ( -0.626 0.000 -0.068) 0.630 18.760 ( 0.973 0.000 5.098) 5.190 18.766 ( 2.310 0.000 -0.619) 2.392 18.864 ( -0.621 0.000 0.557) 0.834 18.904 ( -1.258 0.000 -3.505) 3.724 27.723 ( -0.085 0.000 0.572) 0.578 27.727 ( 0.136 0.000 -0.200) 0.242 27.951 ( 0.002 0.000 0.192) 0.192 28.009 ( -0.734 0.000 -0.262) 0.779 28.063 ( -0.020 0.000 0.259) 0.260 28.100 ( 0.577 0.000 0.048) 0.579 28.175 ( 0.201 0.000 0.148) 0.250 28.235 ( -0.403 0.000 -0.396) 0.565 28.744 ( 0.015 0.000 0.024) 0.029 28.758 ( -0.078 0.000 -0.054) 0.094 29.183 ( -2.600 0.000 0.071) 2.601 29.289 ( -1.554 0.000 0.703) 1.706 29.399 ( -0.488 0.000 -5.920) 5.940 29.409 ( -0.158 0.000 -2.134) 2.140 29.442 ( -0.640 0.000 0.132) 0.653 29.615 ( 0.577 0.000 0.673) 0.887 29.844 ( 2.219 0.000 -4.176) 4.728 29.977 ( -2.660 0.000 -3.013) 4.019 30.016 ( -5.527 0.000 -0.376) 5.540 30.456 ( 0.072 0.000 -0.593) 0.597 30.536 ( -0.104 0.000 1.086) 1.091 30.864 ( 10.440 0.000 -3.457) 10.997 31.025 ( -3.853 0.000 -4.455) 5.890 31.079 ( -3.511 0.000 1.180) 3.704 31.468 ( -8.917 0.000 1.902) 9.118 31.695 ( 9.057 0.000 -3.094) 9.571 31.771 ( -4.972 0.000 9.210) 10.466 31.933 ( -0.329 0.000 7.001) 7.008 32.451 ( -0.036 0.000 -1.366) 1.366 32.809 ( 3.120 0.000 -1.510) 3.467 32.999 ( 13.107 0.000 -3.062) 13.460 33.384 ( -6.720 0.000 5.328) 8.576 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -0.000 0.000 0.000) 0.000 1.107 ( 0.000 0.000 0.000) 0.000 1.445 ( -0.000 0.000 0.000) 0.000 1.562 ( 0.000 0.000 -0.000) 0.000 1.609 ( 0.000 0.000 -0.000) 0.000 1.844 ( -0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 -0.000) 0.000 1.870 ( 0.000 0.000 -0.000) 0.000 1.888 ( -0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 -0.000) 0.000 2.050 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 -0.000) 0.000 2.302 ( 0.000 0.000 0.000) 0.000 2.304 ( -0.000 0.000 -0.000) 0.000 2.349 ( 0.000 0.000 -0.000) 0.000 2.407 ( 0.000 0.000 0.000) 0.000 2.657 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 -0.000) 0.000 2.723 ( -0.001 0.000 0.000) 0.001 2.723 ( 0.001 0.000 -0.000) 0.001 2.894 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 -0.000) 0.000 2.995 ( 0.000 0.000 -0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 -0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.290 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 -0.000) 0.000 3.521 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 -0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.593 ( 0.000 0.000 0.000) 0.000 3.716 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.999 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 -0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.271 ( 0.000 0.000 -0.000) 0.000 4.308 ( -0.000 0.000 0.000) 0.000 4.319 ( -0.000 0.000 -0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.591 ( 0.000 0.000 -0.000) 0.000 4.733 ( 0.000 0.000 -0.000) 0.000 4.771 ( 0.000 0.000 -0.000) 0.000 4.866 ( 0.000 0.000 -0.000) 0.000 5.122 ( 0.000 0.000 -0.000) 0.000 5.130 ( 0.000 0.000 -0.000) 0.000 5.162 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.386 ( 0.000 0.000 -0.000) 0.000 5.650 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 -0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 -0.000) 0.000 6.530 ( 0.000 0.000 0.000) 0.000 6.650 ( 0.000 0.000 0.000) 0.000 7.089 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 -0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.818 ( 0.000 0.000 0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 -0.000) 0.000 8.187 ( 0.000 0.000 -0.000) 0.000 8.357 ( 0.000 0.000 -0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.522 ( 0.000 0.000 0.000) 0.000 8.726 ( 0.000 0.000 -0.000) 0.000 8.800 ( 0.000 0.000 -0.000) 0.000 9.179 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.301 ( 0.000 0.000 -0.000) 0.000 9.349 ( 0.000 0.000 0.000) 0.000 10.492 ( 0.000 0.000 -0.000) 0.000 10.546 ( 0.000 0.000 -0.000) 0.000 10.634 ( 0.000 0.000 -0.000) 0.000 10.710 ( 0.000 0.000 0.000) 0.000 10.818 ( 0.000 0.000 0.000) 0.000 10.924 ( 0.000 0.000 -0.000) 0.000 11.085 ( 0.000 0.000 -0.000) 0.000 11.147 ( 0.000 0.000 -0.000) 0.000 11.437 ( 0.000 0.000 0.000) 0.000 11.531 ( 0.000 0.000 -0.000) 0.000 11.622 ( 0.000 0.000 -0.000) 0.000 11.735 ( 0.000 0.000 0.000) 0.000 12.480 ( 0.000 0.000 0.000) 0.000 12.567 ( 0.000 0.000 -0.000) 0.000 12.653 ( 0.000 0.000 0.000) 0.000 12.747 ( 0.000 0.000 -0.000) 0.000 14.137 ( 0.000 0.000 0.000) 0.000 14.214 ( 0.000 0.000 0.000) 0.000 14.401 ( 0.000 0.000 0.000) 0.000 14.493 ( 0.000 0.000 -0.000) 0.000 14.613 ( 0.000 0.000 0.000) 0.000 14.653 ( 0.000 0.000 0.000) 0.000 14.705 ( 0.000 0.000 -0.000) 0.000 14.785 ( 0.000 0.000 0.000) 0.000 15.541 ( 0.000 0.000 -0.000) 0.000 15.543 ( 0.000 0.000 -0.000) 0.000 15.629 ( 0.000 0.000 0.000) 0.000 15.655 ( 0.000 0.000 0.000) 0.000 16.074 ( 0.000 0.000 -0.000) 0.000 16.103 ( 0.000 0.000 -0.000) 0.000 16.268 ( 0.000 0.000 -0.000) 0.000 16.299 ( 0.000 0.000 -0.000) 0.000 16.681 ( 0.000 0.000 0.000) 0.000 16.724 ( 0.000 0.000 0.000) 0.000 16.757 ( 0.000 0.000 0.000) 0.000 16.982 ( 0.000 0.000 0.000) 0.000 17.090 ( 0.000 0.000 0.000) 0.000 17.156 ( 0.000 0.000 0.000) 0.000 17.202 ( 0.000 0.000 0.000) 0.000 17.244 ( 0.000 0.000 0.000) 0.000 18.252 ( 0.000 0.000 0.000) 0.000 18.447 ( 0.000 0.000 -0.000) 0.000 18.523 ( 0.000 0.000 0.000) 0.000 18.569 ( 0.000 0.000 0.000) 0.000 18.773 ( 0.000 0.000 -0.000) 0.000 18.789 ( 0.000 0.000 -0.000) 0.000 18.857 ( 0.000 0.000 0.000) 0.000 18.889 ( 0.000 0.000 0.000) 0.000 27.722 ( 0.000 0.000 -0.000) 0.000 27.728 ( 0.000 0.000 -0.000) 0.000 27.951 ( 0.000 0.000 -0.000) 0.000 28.001 ( 0.000 0.000 0.000) 0.000 28.063 ( 0.000 0.000 -0.000) 0.000 28.105 ( 0.000 0.000 -0.000) 0.000 28.178 ( 0.000 0.000 0.000) 0.000 28.230 ( 0.000 0.000 0.000) 0.000 28.744 ( 0.000 0.000 0.000) 0.000 28.757 ( 0.000 0.000 -0.000) 0.000 29.156 ( 0.000 0.000 -0.000) 0.000 29.272 ( 0.000 0.000 -0.000) 0.000 29.393 ( 0.000 0.000 0.000) 0.000 29.408 ( 0.000 0.000 -0.000) 0.000 29.434 ( 0.000 0.000 -0.000) 0.000 29.620 ( 0.000 0.000 -0.000) 0.000 29.869 ( 0.000 0.000 -0.000) 0.000 29.947 ( 0.000 0.000 -0.000) 0.000 29.963 ( 0.000 0.000 0.000) 0.000 30.456 ( 0.000 0.000 -0.000) 0.000 30.534 ( 0.000 0.000 -0.000) 0.000 30.981 ( 0.000 0.000 -0.000) 0.000 30.984 ( 0.000 0.000 -0.000) 0.000 31.041 ( 0.000 0.000 0.000) 0.000 31.369 ( 0.000 0.000 -0.000) 0.000 31.720 ( 0.000 0.000 0.000) 0.000 31.816 ( 0.000 0.000 0.000) 0.000 31.901 ( 0.000 0.000 0.000) 0.000 32.453 ( 0.000 0.000 -0.000) 0.000 32.841 ( 0.000 0.000 0.000) 0.000 33.214 ( 0.000 0.000 -0.000) 0.000 33.232 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 0.000 22.851 0.000) 22.851 0.635 ( 0.000 29.373 0.000) 29.373 1.069 ( 0.000 47.016 0.000) 47.016 1.482 ( 0.000 1.874 0.000) 1.874 1.620 ( 0.000 -4.619 0.000) 4.619 1.657 ( 0.000 10.382 0.000) 10.382 1.686 ( 0.000 -4.641 0.000) 4.641 1.767 ( 0.000 3.925 0.000) 3.925 1.826 ( 0.000 -1.863 0.000) 1.863 1.902 ( 0.000 -0.079 0.000) 0.079 2.038 ( 0.000 -1.823 0.000) 1.823 2.208 ( 0.000 -7.543 0.000) 7.543 2.281 ( 0.000 4.975 0.000) 4.975 2.401 ( 0.000 -2.502 0.000) 2.502 2.560 ( 0.000 -1.238 0.000) 1.238 2.587 ( 0.000 1.534 0.000) 1.534 2.611 ( 0.000 -10.149 0.000) 10.149 2.662 ( 0.000 3.008 0.000) 3.008 2.765 ( 0.000 -3.760 0.000) 3.760 2.808 ( 0.000 -1.233 0.000) 1.233 2.932 ( 0.000 -7.434 0.000) 7.434 2.978 ( 0.000 1.732 0.000) 1.732 3.042 ( 0.000 -6.302 0.000) 6.302 3.047 ( 0.000 -2.320 0.000) 2.320 3.233 ( 0.000 -8.613 0.000) 8.613 3.240 ( 0.000 -6.939 0.000) 6.939 3.363 ( 0.000 10.118 0.000) 10.118 3.511 ( 0.000 -0.418 0.000) 0.418 3.612 ( 0.000 4.770 0.000) 4.770 3.628 ( 0.000 -0.978 0.000) 0.978 3.727 ( 0.000 2.466 0.000) 2.466 3.820 ( 0.000 5.670 0.000) 5.670 3.885 ( 0.000 6.882 0.000) 6.882 3.918 ( 0.000 3.906 0.000) 3.906 3.995 ( 0.000 3.056 0.000) 3.056 4.025 ( 0.000 -4.107 0.000) 4.107 4.156 ( 0.000 7.978 0.000) 7.978 4.200 ( 0.000 3.345 0.000) 3.345 4.216 ( 0.000 2.317 0.000) 2.317 4.308 ( 0.000 -3.466 0.000) 3.466 4.381 ( 0.000 2.808 0.000) 2.808 4.423 ( 0.000 4.112 0.000) 4.112 4.435 ( 0.000 -4.642 0.000) 4.642 4.469 ( 0.000 -2.621 0.000) 2.621 4.595 ( 0.000 0.388 0.000) 0.388 4.699 ( 0.000 -3.032 0.000) 3.032 4.885 ( 0.000 -11.161 0.000) 11.161 4.986 ( 0.000 5.928 0.000) 5.928 5.014 ( 0.000 -8.633 0.000) 8.633 5.116 ( 0.000 5.347 0.000) 5.347 5.180 ( 0.000 2.948 0.000) 2.948 5.311 ( 0.000 -3.297 0.000) 3.297 5.426 ( 0.000 -0.082 0.000) 0.082 5.790 ( 0.000 -5.955 0.000) 5.955 5.807 ( 0.000 -0.151 0.000) 0.151 5.886 ( 0.000 -2.094 0.000) 2.094 6.259 ( 0.000 2.091 0.000) 2.091 6.358 ( 0.000 -0.517 0.000) 0.517 6.476 ( 0.000 2.261 0.000) 2.261 6.541 ( 0.000 0.526 0.000) 0.526 7.021 ( 0.000 1.551 0.000) 1.551 7.123 ( 0.000 2.020 0.000) 2.020 7.141 ( 0.000 -0.938 0.000) 0.938 7.314 ( 0.000 -2.040 0.000) 2.040 7.939 ( 0.000 2.362 0.000) 2.362 8.064 ( 0.000 1.672 0.000) 1.672 8.150 ( 0.000 -2.625 0.000) 2.625 8.251 ( 0.000 -0.891 0.000) 0.891 8.523 ( 0.000 1.194 0.000) 1.194 8.577 ( 0.000 1.881 0.000) 1.881 8.709 ( 0.000 -2.923 0.000) 2.923 8.829 ( 0.000 -2.841 0.000) 2.841 9.147 ( 0.000 0.276 0.000) 0.276 9.216 ( 0.000 -1.861 0.000) 1.861 9.291 ( 0.000 1.572 0.000) 1.572 9.344 ( 0.000 -0.248 0.000) 0.248 10.468 ( 0.000 -2.589 0.000) 2.589 10.496 ( 0.000 -3.156 0.000) 3.156 10.716 ( 0.000 2.529 0.000) 2.529 10.798 ( 0.000 2.548 0.000) 2.548 10.832 ( 0.000 0.511 0.000) 0.511 10.907 ( 0.000 1.379 0.000) 1.379 11.019 ( 0.000 -1.236 0.000) 1.236 11.063 ( 0.000 -3.318 0.000) 3.318 11.570 ( 0.000 0.913 0.000) 0.913 11.614 ( 0.000 -0.533 0.000) 0.533 11.724 ( 0.000 -0.178 0.000) 0.178 11.744 ( 0.000 -0.845 0.000) 0.845 12.494 ( 0.000 0.788 0.000) 0.788 12.595 ( 0.000 -1.702 0.000) 1.702 12.653 ( 0.000 0.661 0.000) 0.661 12.721 ( 0.000 -1.033 0.000) 1.033 14.129 ( 0.000 0.686 0.000) 0.686 14.208 ( 0.000 -1.207 0.000) 1.207 14.493 ( 0.000 0.606 0.000) 0.606 14.507 ( 0.000 0.476 0.000) 0.476 14.567 ( 0.000 -0.173 0.000) 0.173 14.615 ( 0.000 1.412 0.000) 1.412 14.634 ( 0.000 -1.329 0.000) 1.329 14.691 ( 0.000 -0.482 0.000) 0.482 15.542 ( 0.000 0.373 0.000) 0.373 15.599 ( 0.000 -0.859 0.000) 0.859 15.642 ( 0.000 0.542 0.000) 0.542 15.693 ( 0.000 -0.673 0.000) 0.673 16.033 ( 0.000 0.132 0.000) 0.132 16.075 ( 0.000 -0.924 0.000) 0.924 16.233 ( 0.000 0.592 0.000) 0.592 16.278 ( 0.000 -0.157 0.000) 0.157 16.604 ( 0.000 1.686 0.000) 1.686 16.707 ( 0.000 -2.000 0.000) 2.000 16.853 ( 0.000 4.297 0.000) 4.297 17.059 ( 0.000 -1.124 0.000) 1.124 17.083 ( 0.000 -0.077 0.000) 0.077 17.091 ( 0.000 -0.274 0.000) 0.274 17.217 ( 0.000 0.191 0.000) 0.191 17.235 ( 0.000 -0.413 0.000) 0.413 18.327 ( 0.000 -0.429 0.000) 0.429 18.342 ( 0.000 -1.316 0.000) 1.316 18.420 ( 0.000 4.221 0.000) 4.221 18.656 ( 0.000 2.908 0.000) 2.908 18.663 ( 0.000 1.478 0.000) 1.478 18.810 ( 0.000 -5.289 0.000) 5.289 18.924 ( 0.000 -0.646 0.000) 0.646 18.938 ( 0.000 0.442 0.000) 0.442 27.720 ( 0.000 0.157 0.000) 0.157 27.750 ( 0.000 2.361 0.000) 2.361 27.894 ( 0.000 -4.751 0.000) 4.751 28.000 ( 0.000 -4.235 0.000) 4.235 28.068 ( 0.000 0.618 0.000) 0.618 28.073 ( 0.000 0.026 0.000) 0.026 28.170 ( 0.000 -0.063 0.000) 0.063 28.235 ( 0.000 -0.978 0.000) 0.978 28.856 ( 0.000 9.536 0.000) 9.536 29.171 ( 0.000 0.052 0.000) 0.052 29.198 ( 0.000 4.275 0.000) 4.275 29.338 ( 0.000 0.781 0.000) 0.781 29.443 ( 0.000 -0.336 0.000) 0.336 29.497 ( 0.000 3.409 0.000) 3.409 29.523 ( 0.000 -5.706 0.000) 5.706 29.720 ( 0.000 -1.331 0.000) 1.331 29.862 ( 0.000 3.960 0.000) 3.960 29.985 ( 0.000 1.295 0.000) 1.295 30.376 ( 0.000 -2.574 0.000) 2.574 30.467 ( 0.000 -1.958 0.000) 1.958 30.544 ( 0.000 1.997 0.000) 1.997 30.677 ( 0.000 9.013 0.000) 9.013 30.769 ( 0.000 -1.594 0.000) 1.594 31.125 ( 0.000 -1.971 0.000) 1.971 31.361 ( 0.000 -1.490 0.000) 1.490 31.613 ( 0.000 -11.394 0.000) 11.394 31.976 ( 0.000 5.706 0.000) 5.706 32.194 ( 0.000 -2.023 0.000) 2.023 32.562 ( 0.000 -0.410 0.000) 0.410 32.630 ( 0.000 -3.041 0.000) 3.041 32.764 ( 0.000 2.119 0.000) 2.119 32.855 ( 0.000 -0.927 0.000) 0.927 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 10.680 19.389 8.804) 23.822 0.799 ( 17.875 18.612 -1.846) 25.871 1.349 ( 23.921 31.172 -3.524) 39.451 1.475 ( -2.740 2.582 3.084) 4.867 1.590 ( -0.936 3.748 5.119) 6.413 1.682 ( 0.087 0.464 -0.520) 0.702 1.741 ( 8.978 -4.034 3.936) 10.601 1.800 ( 8.337 -1.579 -5.158) 9.930 1.897 ( 2.697 1.852 1.615) 3.648 1.930 ( 1.893 2.381 -0.691) 3.119 2.034 ( 0.483 -1.371 -2.075) 2.534 2.208 ( -0.524 -4.739 -0.006) 4.768 2.257 ( -4.658 1.380 0.128) 4.860 2.355 ( -4.224 -1.238 -1.895) 4.793 2.412 ( -7.174 2.697 3.906) 8.603 2.426 ( -9.634 -7.936 5.700) 13.722 2.644 ( 0.085 2.067 -4.439) 4.898 2.683 ( -5.571 0.674 2.400) 6.103 2.771 ( 0.438 -2.141 -3.049) 3.751 2.806 ( 0.194 0.892 -2.244) 2.423 2.903 ( -2.323 -9.315 9.804) 13.722 2.975 ( 1.362 -0.289 -1.150) 1.806 3.019 ( -3.507 -0.167 1.012) 3.654 3.139 ( 3.189 -8.177 -3.439) 9.426 3.182 ( 1.705 -4.819 -0.791) 5.172 3.284 ( 1.694 -2.040 1.570) 3.082 3.299 ( -3.361 2.078 -3.478) 5.264 3.488 ( -2.129 0.587 -1.544) 2.694 3.620 ( -2.518 -0.001 0.331) 2.540 3.639 ( 0.273 5.078 -1.724) 5.370 3.649 ( -4.772 3.281 -1.902) 6.095 3.828 ( -5.597 8.953 -0.257) 10.561 3.834 ( -2.128 0.463 -1.513) 2.652 3.906 ( 1.907 3.899 2.361) 4.941 3.998 ( -0.771 0.606 -0.174) 0.996 4.002 ( -1.519 1.650 2.435) 3.311 4.128 ( -0.393 1.487 -0.134) 1.544 4.187 ( -0.052 3.796 -0.568) 3.839 4.243 ( -1.220 0.148 0.202) 1.245 4.264 ( -2.367 0.735 1.330) 2.813 4.335 ( -2.117 0.955 -0.258) 2.336 4.403 ( 2.117 -2.405 -2.945) 4.352 4.442 ( -0.514 -1.734 -0.451) 1.864 4.558 ( 3.415 1.502 1.432) 3.996 4.612 ( 1.110 2.722 1.728) 3.410 4.677 ( 1.526 0.674 -1.317) 2.126 4.811 ( -9.960 0.385 0.770) 9.997 4.918 ( -2.469 -10.469 -1.999) 10.940 5.029 ( 1.521 -0.626 3.320) 3.705 5.099 ( 0.279 0.791 -5.569) 5.632 5.198 ( 0.760 4.761 3.045) 5.703 5.273 ( -3.872 -4.224 -2.119) 6.110 5.378 ( -2.717 0.805 -3.345) 4.383 5.682 ( -3.154 4.895 3.302) 6.694 5.817 ( 1.479 -6.049 -0.141) 6.229 5.899 ( 0.330 -1.611 2.920) 3.351 6.324 ( 2.647 2.054 0.142) 3.353 6.365 ( 0.952 0.646 -0.773) 1.386 6.500 ( 2.000 2.091 -0.771) 2.995 6.615 ( 3.943 -1.731 3.621) 5.626 7.014 ( 2.552 -1.127 -0.553) 2.844 7.089 ( -1.397 0.009 -0.177) 1.408 7.169 ( 1.393 2.432 0.485) 2.844 7.596 ( 14.015 -13.321 2.474) 19.493 7.927 ( -1.560 2.681 0.842) 3.214 8.088 ( 1.192 2.601 -0.369) 2.885 8.155 ( 0.553 -2.184 -0.032) 2.254 8.287 ( 3.038 -3.848 3.909) 6.270 8.477 ( -2.906 3.920 6.037) 7.762 8.594 ( -0.412 -1.948 -10.078) 10.273 8.705 ( -0.416 -3.074 0.448) 3.135 8.816 ( -1.281 -2.916 0.347) 3.204 9.156 ( 0.819 0.378 0.366) 0.973 9.222 ( 0.618 -1.856 1.214) 2.303 9.298 ( 0.646 1.588 0.301) 1.740 9.353 ( 0.741 -0.534 -5.714) 5.787 10.460 ( -1.024 -2.894 0.148) 3.074 10.475 ( -1.141 -3.740 -0.582) 3.953 10.723 ( 0.544 2.354 -0.492) 2.466 10.771 ( -2.212 3.410 1.362) 4.287 10.823 ( 0.266 1.650 -1.215) 2.067 10.944 ( 2.302 2.073 -0.752) 3.188 11.041 ( 1.483 -1.787 0.329) 2.345 11.062 ( 0.696 -1.447 1.563) 2.240 11.530 ( -3.540 4.144 3.163) 6.302 11.597 ( -1.854 0.342 -3.066) 3.600 11.644 ( -2.267 2.470 -1.771) 3.792 11.742 ( -0.531 -0.750 0.518) 1.055 12.497 ( 0.096 0.988 -0.190) 1.010 12.559 ( -1.055 0.557 -0.532) 1.306 12.652 ( 0.176 0.688 -0.480) 0.857 12.746 ( 0.469 -2.107 1.491) 2.624 14.130 ( 0.174 0.718 -0.257) 0.782 14.207 ( -0.068 -1.114 0.492) 1.219 14.458 ( -1.907 0.683 1.145) 2.327 14.523 ( -1.114 -1.557 -0.639) 2.018 14.570 ( 0.153 -0.710 1.640) 1.793 14.604 ( 1.735 0.444 1.151) 2.129 14.686 ( 2.371 0.671 -3.400) 4.199 14.724 ( 2.729 -0.306 -0.503) 2.792 15.529 ( -0.783 -0.172 -0.678) 1.050 15.586 ( -1.811 -1.040 -0.759) 2.222 15.645 ( 0.756 1.265 0.176) 1.484 15.663 ( -1.133 1.900 0.869) 2.376 16.053 ( 1.074 -1.521 -2.421) 3.055 16.077 ( 0.156 -1.040 -0.286) 1.090 16.248 ( 1.175 0.765 -0.384) 1.454 16.281 ( 0.471 -0.031 0.676) 0.824 16.632 ( 1.937 -0.706 1.357) 2.468 16.697 ( -0.763 -1.290 0.263) 1.522 16.839 ( -0.652 5.157 -0.078) 5.198 17.036 ( -1.865 -0.360 -0.707) 2.027 17.076 ( 0.164 0.054 2.878) 2.883 17.125 ( 1.743 -0.880 2.548) 3.210 17.202 ( -0.811 -0.345 -0.120) 0.890 17.229 ( -0.572 -0.766 -1.353) 1.656 18.322 ( -1.406 -0.282 -0.048) 1.435 18.398 ( 2.485 -2.549 0.548) 3.602 18.438 ( 2.739 -0.392 -0.442) 2.802 18.637 ( -1.781 2.714 0.699) 3.321 18.686 ( 1.857 0.652 -0.081) 1.970 18.795 ( -0.960 -2.916 1.767) 3.543 18.887 ( -1.884 1.037 1.881) 2.857 18.927 ( -1.305 -0.529 -3.383) 3.665 27.722 ( 0.180 0.157 -0.120) 0.267 27.749 ( -0.107 2.254 0.381) 2.289 27.890 ( -0.254 -4.594 0.076) 4.602 27.995 ( -0.419 -3.958 -0.095) 3.981 28.068 ( -0.323 0.130 0.195) 0.400 28.069 ( 0.098 0.129 -0.022) 0.163 28.170 ( 0.031 -0.115 0.148) 0.190 28.231 ( -0.347 -1.033 -0.346) 1.143 28.856 ( 0.021 9.487 -0.112) 9.488 29.024 ( -7.581 12.546 6.028) 15.850 29.255 ( 0.602 0.311 -4.124) 4.179 29.333 ( -0.494 0.639 0.711) 1.076 29.411 ( -3.543 1.458 -3.217) 5.002 29.455 ( -2.081 1.602 -0.985) 2.805 29.535 ( -3.198 -0.266 -0.691) 3.282 29.542 ( -2.983 1.537 -3.176) 4.620 29.826 ( 0.857 2.021 -7.644) 7.953 30.005 ( -2.587 -2.346 -7.609) 8.372 30.214 ( -8.653 2.655 -4.482) 10.100 30.455 ( 0.451 -3.178 -0.776) 3.303 30.589 ( -1.455 8.438 0.950) 8.615 30.700 ( 10.682 5.327 -2.393) 12.174 31.022 ( 5.835 -7.670 6.066) 11.387 31.104 ( -1.960 -1.486 -1.164) 2.722 31.420 ( 7.594 -5.794 -5.144) 10.849 31.565 ( -5.501 -9.616 1.281) 11.153 31.907 ( -7.961 4.725 10.362) 13.895 31.999 ( -7.817 2.790 8.527) 11.899 32.498 ( -2.964 1.860 -1.904) 3.984 32.672 ( 5.682 -3.463 -1.765) 6.884 32.804 ( 9.767 4.261 -0.989) 10.702 33.229 ( 11.535 -13.966 4.623) 18.694 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 12.887 11.855 6.697) 18.747 1.132 ( 12.632 9.016 -0.889) 15.545 1.422 ( 0.578 10.547 -1.734) 10.704 1.597 ( 2.022 4.658 4.924) 7.073 1.697 ( 3.944 -2.529 1.692) 4.982 1.746 ( 10.639 1.223 -0.251) 10.712 1.860 ( -4.169 0.506 7.700) 8.770 1.919 ( 0.495 0.089 -2.548) 2.597 1.959 ( 0.101 1.831 -4.116) 4.506 2.012 ( 3.666 -6.672 -4.616) 8.903 2.085 ( -3.301 2.207 -0.608) 4.017 2.154 ( -8.486 0.027 4.981) 9.839 2.167 ( -4.108 -1.680 -1.538) 4.697 2.241 ( 17.920 9.364 0.055) 20.219 2.324 ( 4.192 -3.093 2.320) 5.703 2.421 ( 2.768 0.316 -2.103) 3.491 2.536 ( -6.705 1.911 2.952) 7.571 2.632 ( -1.968 5.375 0.039) 5.724 2.765 ( 0.884 3.782 -0.062) 3.884 2.814 ( 1.405 -2.357 -0.778) 2.852 2.866 ( -1.471 -8.257 5.405) 9.978 2.915 ( -5.941 2.559 0.673) 6.504 3.026 ( 2.793 -4.061 -2.108) 5.361 3.172 ( -3.548 -2.065 1.695) 4.442 3.208 ( 3.394 -2.706 -1.102) 4.478 3.269 ( -1.025 0.112 -3.654) 3.797 3.296 ( -0.803 -2.497 -3.548) 4.413 3.431 ( -6.086 2.965 -1.738) 6.989 3.507 ( -3.349 1.887 -0.331) 3.858 3.558 ( -3.754 -1.162 -2.553) 4.686 3.654 ( -4.445 1.580 -0.407) 4.735 3.683 ( -2.301 7.076 0.253) 7.445 3.824 ( -2.390 2.118 1.943) 3.738 3.883 ( -6.730 2.467 0.813) 7.214 3.982 ( 3.224 0.990 1.973) 3.907 4.013 ( 2.190 0.294 -0.523) 2.270 4.103 ( -2.631 0.429 0.303) 2.683 4.182 ( 0.052 1.539 -2.942) 3.320 4.226 ( -0.276 -2.309 3.907) 4.546 4.247 ( -1.110 -2.227 0.908) 2.649 4.325 ( 1.462 4.590 0.604) 4.855 4.421 ( -1.405 -3.781 -1.463) 4.291 4.438 ( -0.532 1.694 -0.480) 1.839 4.538 ( -5.228 1.261 -0.069) 5.378 4.589 ( -2.096 0.577 3.390) 4.027 4.676 ( 2.832 1.783 0.852) 3.453 4.748 ( 1.614 -0.204 -3.302) 3.681 4.893 ( -1.373 -6.204 -3.464) 7.236 5.068 ( 1.213 -3.693 3.971) 5.557 5.106 ( 0.309 -0.748 -3.541) 3.632 5.177 ( -3.500 -4.722 -4.586) 7.455 5.221 ( 1.150 5.633 2.577) 6.301 5.355 ( -0.114 -1.987 -1.616) 2.564 5.668 ( 0.466 3.195 0.328) 3.245 5.835 ( 0.215 -5.995 0.845) 6.058 5.908 ( 0.521 -1.492 2.399) 2.873 6.359 ( 0.924 2.515 0.723) 2.775 6.406 ( 3.186 2.588 -1.167) 4.267 6.526 ( 0.176 0.948 -0.484) 1.079 6.662 ( 1.091 0.468 1.302) 1.762 7.076 ( 0.896 -0.467 0.134) 1.020 7.097 ( 3.795 -2.534 -0.204) 4.568 7.193 ( 1.035 4.603 0.221) 4.723 7.775 ( 5.364 -11.848 1.236) 13.064 7.881 ( -2.774 2.714 0.888) 3.981 8.097 ( 0.270 1.412 1.473) 2.058 8.173 ( 1.024 -0.163 -0.361) 1.098 8.341 ( 2.051 -3.721 1.782) 4.607 8.431 ( -2.119 3.725 2.986) 5.223 8.547 ( -2.933 -1.109 -5.617) 6.433 8.697 ( -0.391 -3.070 0.223) 3.103 8.787 ( -1.427 -2.940 -0.015) 3.268 9.174 ( 0.890 0.516 0.602) 1.192 9.237 ( 0.723 -1.750 1.336) 2.317 9.314 ( 0.847 1.559 0.605) 1.875 9.357 ( -0.031 -0.070 -4.468) 4.469 10.441 ( -0.547 -4.035 -0.167) 4.076 10.458 ( -0.899 -4.704 0.016) 4.789 10.726 ( -0.409 2.503 0.072) 2.538 10.745 ( -0.358 4.489 0.689) 4.555 10.830 ( 0.363 1.186 -1.238) 1.752 10.979 ( 1.268 4.358 -0.427) 4.559 11.049 ( 0.058 -2.805 0.544) 2.858 11.112 ( 3.022 -0.260 0.806) 3.139 11.486 ( -0.944 4.070 1.050) 4.308 11.556 ( -1.959 0.444 -1.568) 2.548 11.628 ( -0.252 0.628 0.056) 0.679 11.730 ( -0.585 -0.935 0.324) 1.150 12.496 ( -0.106 1.280 -0.115) 1.289 12.557 ( 0.417 -0.166 -0.355) 0.572 12.657 ( 0.283 0.711 -0.458) 0.892 12.742 ( -0.534 -1.299 0.883) 1.659 14.137 ( 0.504 0.672 -0.236) 0.872 14.206 ( -0.079 -0.976 0.423) 1.067 14.422 ( -1.652 0.370 0.971) 1.951 14.494 ( -1.274 -1.247 -0.367) 1.820 14.575 ( 0.235 -0.982 0.560) 1.155 14.651 ( 2.407 -0.698 1.137) 2.752 14.715 ( 0.731 2.267 -2.561) 3.498 14.772 ( 1.922 0.186 -0.260) 1.949 15.520 ( -0.062 -0.952 -0.407) 1.037 15.550 ( -1.587 -0.899 -0.490) 1.888 15.651 ( -0.336 1.613 0.673) 1.780 15.663 ( 0.738 1.102 0.322) 1.365 16.064 ( 0.228 -1.112 -1.380) 1.787 16.082 ( 0.333 -1.390 0.065) 1.431 16.269 ( 0.844 0.962 -0.226) 1.300 16.294 ( 0.632 0.125 0.307) 0.714 16.663 ( 1.126 -1.275 0.758) 1.863 16.686 ( -0.401 -1.136 -0.027) 1.205 16.834 ( -0.003 5.048 -0.165) 5.051 17.003 ( -1.275 0.372 -0.156) 1.338 17.085 ( 0.457 0.107 1.979) 2.034 17.148 ( 0.512 -0.524 1.907) 2.043 17.191 ( -0.478 -1.109 -0.320) 1.249 17.219 ( -0.180 -1.905 -1.588) 2.487 18.288 ( -1.702 1.087 0.546) 2.092 18.432 ( 1.793 -0.832 -2.792) 3.422 18.483 ( 1.084 -2.103 1.906) 3.038 18.598 ( -1.884 1.578 0.778) 2.578 18.712 ( 0.658 -1.805 1.048) 2.189 18.800 ( 1.281 -0.487 -0.924) 1.652 18.859 ( -1.514 -0.098 2.543) 2.961 18.898 ( -1.062 -0.670 -2.354) 2.668 27.726 ( 0.183 0.183 -0.144) 0.297 27.747 ( -0.133 2.164 0.231) 2.181 27.887 ( -0.088 -4.640 0.097) 4.642 27.986 ( -0.408 -3.407 -0.096) 3.433 28.064 ( -0.112 0.057 0.178) 0.218 28.072 ( 0.110 -0.860 -0.081) 0.871 28.172 ( 0.159 -0.264 0.175) 0.355 28.222 ( -0.483 -1.138 -0.344) 1.283 28.857 ( 0.050 9.461 -0.064) 9.462 28.931 ( -2.649 13.107 1.316) 13.437 29.221 ( -2.585 2.748 -0.139) 3.776 29.321 ( -0.685 0.914 0.575) 1.279 29.376 ( 0.136 -0.391 -5.619) 5.635 29.424 ( -1.315 1.872 -0.037) 2.288 29.456 ( -2.510 0.863 -0.237) 2.665 29.557 ( 0.727 -4.750 0.237) 4.811 29.846 ( 1.209 0.009 -4.755) 4.907 29.935 ( -3.282 -2.439 -1.948) 4.529 30.092 ( -3.717 5.173 -0.433) 6.385 30.464 ( 0.334 -4.850 -0.094) 4.863 30.561 ( -1.196 8.415 0.475) 8.513 30.913 ( 9.507 4.203 -1.169) 10.460 31.017 ( -2.160 -0.801 -3.246) 3.980 31.066 ( -2.389 -1.006 0.989) 2.774 31.441 ( -5.123 -3.914 -1.880) 6.716 31.616 ( 10.466 -6.971 -3.419) 13.032 31.738 ( -7.636 -0.913 9.814) 12.468 31.924 ( -3.888 -1.562 6.723) 7.922 32.475 ( 0.076 2.341 -1.488) 2.775 32.761 ( 3.278 -4.310 -1.516) 5.623 33.022 ( 11.170 2.065 -2.196) 11.570 33.302 ( -1.859 -6.488 3.952) 7.821 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -0.000 6.073 0.000) 6.073 1.178 ( 0.000 7.907 0.000) 7.907 1.524 ( 0.000 5.324 0.000) 5.324 1.666 ( 0.000 7.102 -0.000) 7.102 1.708 ( -0.000 10.271 -0.000) 10.271 1.797 ( 0.000 -4.309 -0.000) 4.309 1.821 ( -0.000 -5.341 0.000) 5.341 1.854 ( 0.000 0.670 0.000) 0.670 1.937 ( 0.000 5.196 -0.000) 5.196 1.980 ( 0.000 -3.258 -0.000) 3.258 2.070 ( 0.000 -0.615 -0.000) 0.615 2.106 ( 0.000 1.392 0.000) 1.392 2.125 ( -0.000 -4.912 -0.000) 4.912 2.311 ( 0.000 0.049 0.000) 0.049 2.450 ( 0.000 2.049 0.000) 2.049 2.457 ( 0.000 -8.698 -0.000) 8.698 2.595 ( 0.000 8.965 -0.000) 8.965 2.746 ( -0.000 3.393 0.000) 3.393 2.778 ( 0.000 6.668 -0.000) 6.668 2.822 ( 0.000 8.170 0.000) 8.170 2.828 ( 0.000 -7.940 -0.000) 7.940 2.862 ( -0.000 -4.609 0.000) 4.609 3.055 ( 0.000 -4.630 0.000) 4.630 3.064 ( -0.000 4.378 -0.000) 4.378 3.198 ( 0.000 -0.733 -0.000) 0.733 3.232 ( 0.000 2.239 -0.000) 2.239 3.288 ( 0.000 -2.821 0.000) 2.821 3.402 ( 0.000 4.729 -0.000) 4.729 3.450 ( 0.000 -8.016 0.000) 8.016 3.519 ( 0.000 -0.257 0.000) 0.257 3.604 ( 0.000 2.981 -0.000) 2.981 3.628 ( 0.000 6.066 0.000) 6.066 3.794 ( 0.000 4.889 0.000) 4.889 3.809 ( 0.000 2.752 0.000) 2.752 4.019 ( 0.000 1.140 0.000) 1.140 4.047 ( 0.000 1.818 0.000) 1.818 4.122 ( 0.000 -4.657 0.000) 4.657 4.134 ( -0.000 -2.918 -0.000) 2.918 4.219 ( 0.000 1.070 0.000) 1.070 4.243 ( 0.000 1.067 0.000) 1.067 4.355 ( 0.000 -0.611 -0.000) 0.611 4.376 ( -0.000 3.328 0.000) 3.328 4.433 ( 0.000 -0.390 0.000) 0.390 4.499 ( 0.000 -0.382 0.000) 0.382 4.576 ( 0.000 -1.705 -0.000) 1.705 4.721 ( 0.000 -0.581 0.000) 0.581 4.757 ( 0.000 0.412 -0.000) 0.412 4.867 ( 0.000 -0.096 -0.000) 0.096 5.056 ( 0.000 -9.992 -0.000) 9.992 5.122 ( 0.000 2.158 0.000) 2.158 5.151 ( 0.000 -8.195 0.000) 8.195 5.239 ( 0.000 7.852 -0.000) 7.852 5.355 ( 0.000 -2.874 -0.000) 2.874 5.676 ( 0.000 2.648 0.000) 2.648 5.834 ( 0.000 -5.888 0.000) 5.888 5.916 ( 0.000 -1.439 0.000) 1.439 6.367 ( 0.000 2.294 0.000) 2.294 6.452 ( 0.000 4.850 -0.000) 4.850 6.515 ( 0.000 -1.120 0.000) 1.120 6.671 ( 0.000 1.234 0.000) 1.234 7.088 ( 0.000 -0.125 -0.000) 0.125 7.139 ( 0.000 -2.329 0.000) 2.329 7.206 ( 0.000 5.120 -0.000) 5.120 7.825 ( 0.000 -11.310 0.000) 11.310 7.847 ( 0.000 2.854 0.000) 2.854 8.105 ( 0.000 -0.534 0.000) 0.534 8.184 ( 0.000 0.883 0.000) 0.883 8.365 ( 0.000 -4.041 0.000) 4.041 8.404 ( 0.000 4.362 -0.000) 4.362 8.512 ( 0.000 -0.071 0.000) 0.071 8.693 ( 0.000 -2.996 -0.000) 2.996 8.772 ( 0.000 -2.946 -0.000) 2.946 9.184 ( 0.000 0.492 0.000) 0.492 9.245 ( 0.000 -1.638 -0.000) 1.638 9.325 ( 0.000 1.462 0.000) 1.462 9.353 ( 0.000 0.300 0.000) 0.300 10.442 ( -0.000 -5.604 0.000) 5.604 10.442 ( 0.000 -3.976 -0.000) 3.976 10.720 ( 0.000 3.472 -0.000) 3.472 10.744 ( 0.000 4.095 0.000) 4.095 10.833 ( 0.000 0.844 -0.000) 0.844 10.991 ( 0.000 5.383 -0.000) 5.383 11.050 ( 0.000 -3.292 0.000) 3.292 11.147 ( 0.000 -0.166 -0.000) 0.166 11.480 ( 0.000 3.408 0.000) 3.408 11.533 ( 0.000 0.202 -0.000) 0.202 11.626 ( 0.000 0.469 -0.000) 0.469 11.724 ( 0.000 -1.017 0.000) 1.017 12.494 ( 0.000 1.301 0.000) 1.301 12.563 ( 0.000 -0.389 -0.000) 0.389 12.660 ( 0.000 0.719 0.000) 0.719 12.736 ( 0.000 -1.010 -0.000) 1.010 14.143 ( 0.000 0.565 0.000) 0.565 14.205 ( 0.000 -0.896 0.000) 0.896 14.405 ( 0.000 0.466 0.000) 0.466 14.481 ( 0.000 -1.158 -0.000) 1.158 14.577 ( 0.000 -1.046 -0.000) 1.046 14.680 ( 0.000 -2.130 -0.000) 2.130 14.717 ( 0.000 3.645 0.000) 3.645 14.791 ( 0.000 0.399 0.000) 0.399 15.525 ( 0.000 -1.155 -0.000) 1.155 15.528 ( -0.000 -1.087 -0.000) 1.087 15.648 ( 0.000 1.496 -0.000) 1.496 15.670 ( 0.000 1.047 -0.000) 1.047 16.065 ( 0.000 -0.846 -0.000) 0.846 16.086 ( 0.000 -1.528 -0.000) 1.528 16.277 ( 0.000 0.914 -0.000) 0.914 16.301 ( 0.000 0.268 -0.000) 0.268 16.676 ( 0.000 -0.496 0.000) 0.496 16.681 ( 0.000 -1.910 0.000) 1.910 16.834 ( 0.000 5.017 0.000) 5.017 16.991 ( 0.000 0.620 0.000) 0.620 17.091 ( 0.000 0.215 0.000) 0.215 17.153 ( 0.000 -0.257 0.000) 0.257 17.184 ( 0.000 -1.380 0.000) 1.380 17.218 ( 0.000 -2.500 0.000) 2.500 18.270 ( 0.000 1.652 -0.000) 1.652 18.457 ( 0.000 -4.607 -0.000) 4.607 18.487 ( 0.000 3.541 0.000) 3.541 18.578 ( 0.000 0.013 0.000) 0.013 18.718 ( 0.000 -2.935 0.000) 2.935 18.824 ( 0.000 1.507 -0.000) 1.507 18.833 ( -0.000 -2.351 0.000) 2.351 18.888 ( 0.000 -0.274 0.000) 0.274 27.728 ( 0.000 0.193 -0.000) 0.193 27.745 ( 0.000 2.136 -0.000) 2.136 27.886 ( 0.000 -4.666 0.000) 4.666 27.982 ( 0.000 -3.159 0.000) 3.159 28.063 ( 0.000 0.013 -0.000) 0.013 28.073 ( 0.000 -1.277 -0.000) 1.277 28.175 ( 0.000 -0.364 0.000) 0.364 28.216 ( 0.000 -1.168 0.000) 1.168 28.857 ( 0.000 9.517 0.000) 9.517 28.908 ( 0.000 12.200 -0.000) 12.200 29.192 ( 0.000 2.862 -0.000) 2.862 29.313 ( 0.000 1.848 0.000) 1.848 29.381 ( 0.000 -0.912 0.000) 0.912 29.409 ( 0.000 1.527 -0.000) 1.527 29.431 ( 0.000 -0.346 -0.000) 0.346 29.564 ( 0.000 -4.661 -0.000) 4.661 29.860 ( 0.000 -0.813 -0.000) 0.813 29.898 ( 0.000 -2.261 -0.000) 2.261 30.058 ( 0.000 5.926 0.000) 5.926 30.467 ( 0.000 -5.765 -0.000) 5.765 30.549 ( 0.000 8.730 -0.000) 8.730 30.996 ( 0.000 0.941 -0.000) 0.941 31.008 ( 0.000 1.444 0.000) 1.444 31.039 ( 0.000 -0.047 0.000) 0.047 31.397 ( 0.000 2.666 -0.000) 2.666 31.643 ( 0.000 -6.313 0.000) 6.313 31.783 ( 0.000 -3.387 0.000) 3.387 31.836 ( 0.000 -5.810 0.000) 5.810 32.479 ( 0.000 2.576 -0.000) 2.576 32.793 ( 0.000 -4.383 -0.000) 4.383 33.198 ( 0.000 -1.233 -0.000) 1.233 33.215 ( -0.000 -1.420 0.000) 1.420 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 22.300 0.000) 22.300 1.164 ( 0.000 21.546 0.000) 21.546 1.356 ( 0.000 -17.671 0.000) 17.671 1.492 ( 0.000 -9.693 0.000) 9.693 1.543 ( 0.000 3.838 0.000) 3.838 1.634 ( 0.000 -3.691 0.000) 3.691 1.836 ( 0.000 5.600 0.000) 5.600 1.845 ( 0.000 2.371 0.000) 2.371 1.958 ( 0.000 12.042 0.000) 12.042 2.007 ( 0.000 9.946 0.000) 9.946 2.101 ( 0.000 -0.134 0.000) 0.134 2.231 ( 0.000 14.246 0.000) 14.246 2.273 ( 0.000 -0.315 0.000) 0.315 2.306 ( 0.000 -4.688 0.000) 4.688 2.350 ( 0.000 -8.215 0.000) 8.215 2.592 ( 0.000 -3.007 0.000) 3.007 2.653 ( 0.000 5.381 0.000) 5.381 2.722 ( 0.000 0.709 0.000) 0.709 2.741 ( 0.000 3.741 0.000) 3.741 2.768 ( 0.000 -4.436 0.000) 4.436 2.773 ( 0.000 -5.961 0.000) 5.961 2.902 ( 0.000 -9.528 0.000) 9.528 2.932 ( 0.000 -2.165 0.000) 2.165 2.965 ( 0.000 -2.070 0.000) 2.070 3.068 ( 0.000 -6.529 0.000) 6.529 3.073 ( 0.000 -6.805 0.000) 6.805 3.548 ( 0.000 2.825 0.000) 2.825 3.595 ( 0.000 10.339 0.000) 10.339 3.598 ( 0.000 -1.947 0.000) 1.947 3.727 ( 0.000 -2.671 0.000) 2.671 3.770 ( 0.000 8.788 0.000) 8.788 3.920 ( 0.000 -5.542 0.000) 5.542 3.927 ( 0.000 6.559 0.000) 6.559 4.002 ( 0.000 1.883 0.000) 1.883 4.030 ( 0.000 4.628 0.000) 4.628 4.075 ( 0.000 5.606 0.000) 5.606 4.141 ( 0.000 -8.053 0.000) 8.053 4.252 ( 0.000 -9.249 0.000) 9.249 4.269 ( 0.000 3.957 0.000) 3.957 4.309 ( 0.000 -0.968 0.000) 0.968 4.321 ( 0.000 5.937 0.000) 5.937 4.414 ( 0.000 -3.410 0.000) 3.410 4.477 ( 0.000 5.970 0.000) 5.970 4.529 ( 0.000 5.742 0.000) 5.742 4.572 ( 0.000 -2.713 0.000) 2.713 4.662 ( 0.000 -8.434 0.000) 8.434 4.682 ( 0.000 2.061 0.000) 2.061 4.810 ( 0.000 -9.708 0.000) 9.708 5.074 ( 0.000 4.699 0.000) 4.699 5.199 ( 0.000 -6.676 0.000) 6.676 5.260 ( 0.000 3.507 0.000) 3.507 5.267 ( 0.000 5.111 0.000) 5.111 5.447 ( 0.000 4.253 0.000) 4.253 5.620 ( 0.000 -9.951 0.000) 9.951 5.812 ( 0.000 0.735 0.000) 0.735 5.841 ( 0.000 -2.020 0.000) 2.020 6.305 ( 0.000 2.099 0.000) 2.099 6.339 ( 0.000 -1.295 0.000) 1.295 6.524 ( 0.000 2.002 0.000) 2.002 6.547 ( 0.000 -0.238 0.000) 0.238 7.064 ( 0.000 2.451 0.000) 2.451 7.111 ( 0.000 -1.977 0.000) 1.977 7.180 ( 0.000 3.402 0.000) 3.402 7.254 ( 0.000 -3.587 0.000) 3.587 8.003 ( 0.000 3.705 0.000) 3.705 8.082 ( 0.000 -3.799 0.000) 3.799 8.123 ( 0.000 3.854 0.000) 3.854 8.204 ( 0.000 -3.567 0.000) 3.567 8.563 ( 0.000 2.811 0.000) 2.811 8.634 ( 0.000 -3.470 0.000) 3.470 8.645 ( 0.000 4.109 0.000) 4.109 8.747 ( 0.000 -4.932 0.000) 4.932 9.158 ( 0.000 0.841 0.000) 0.841 9.181 ( 0.000 -1.449 0.000) 1.449 9.318 ( 0.000 1.067 0.000) 1.067 9.335 ( 0.000 -0.600 0.000) 0.600 10.425 ( 0.000 -1.058 0.000) 1.058 10.436 ( 0.000 -2.094 0.000) 2.094 10.779 ( 0.000 3.152 0.000) 3.152 10.826 ( 0.000 -1.245 0.000) 1.245 10.865 ( 0.000 4.094 0.000) 4.094 10.946 ( 0.000 2.282 0.000) 2.282 10.962 ( 0.000 -4.798 0.000) 4.798 10.994 ( 0.000 -2.456 0.000) 2.456 11.591 ( 0.000 1.018 0.000) 1.018 11.605 ( 0.000 -0.370 0.000) 0.370 11.718 ( 0.000 -0.179 0.000) 0.179 11.725 ( 0.000 -0.807 0.000) 0.807 12.518 ( 0.000 1.562 0.000) 1.562 12.555 ( 0.000 -2.010 0.000) 2.010 12.670 ( 0.000 1.047 0.000) 1.047 12.695 ( 0.000 -1.379 0.000) 1.379 14.149 ( 0.000 1.257 0.000) 1.257 14.179 ( 0.000 -1.543 0.000) 1.543 14.507 ( 0.000 0.641 0.000) 0.641 14.515 ( 0.000 0.050 0.000) 0.050 14.572 ( 0.000 0.844 0.000) 0.844 14.601 ( 0.000 -1.740 0.000) 1.740 14.647 ( 0.000 1.585 0.000) 1.585 14.675 ( 0.000 -1.082 0.000) 1.082 15.555 ( 0.000 0.859 0.000) 0.859 15.576 ( 0.000 -1.192 0.000) 1.192 15.657 ( 0.000 0.885 0.000) 0.885 15.676 ( 0.000 -0.936 0.000) 0.936 16.039 ( 0.000 0.510 0.000) 0.510 16.054 ( 0.000 -0.965 0.000) 0.965 16.250 ( 0.000 1.003 0.000) 1.003 16.269 ( 0.000 -0.761 0.000) 0.761 16.642 ( 0.000 1.800 0.000) 1.800 16.674 ( 0.000 -1.426 0.000) 1.426 16.943 ( 0.000 4.230 0.000) 4.230 17.018 ( 0.000 -2.934 0.000) 2.934 17.082 ( 0.000 0.053 0.000) 0.053 17.085 ( 0.000 -0.271 0.000) 0.271 17.222 ( 0.000 0.243 0.000) 0.243 17.227 ( 0.000 -0.301 0.000) 0.301 18.319 ( 0.000 -0.249 0.000) 0.249 18.322 ( 0.000 -0.569 0.000) 0.569 18.534 ( 0.000 6.609 0.000) 6.609 18.668 ( 0.000 -4.849 0.000) 4.849 18.706 ( 0.000 1.385 0.000) 1.385 18.710 ( 0.000 -0.665 0.000) 0.665 18.916 ( 0.000 0.124 0.000) 0.124 18.930 ( 0.000 -0.953 0.000) 0.953 27.736 ( 0.000 1.674 0.000) 1.674 27.796 ( 0.000 -4.141 0.000) 4.141 27.816 ( 0.000 3.905 0.000) 3.905 27.905 ( 0.000 -4.697 0.000) 4.697 28.078 ( 0.000 0.286 0.000) 0.286 28.079 ( 0.000 0.260 0.000) 0.260 28.177 ( 0.000 0.910 0.000) 0.910 28.206 ( 0.000 -1.661 0.000) 1.661 29.064 ( 0.000 9.055 0.000) 9.055 29.164 ( 0.000 -1.275 0.000) 1.275 29.272 ( 0.000 3.077 0.000) 3.077 29.373 ( 0.000 2.764 0.000) 2.764 29.382 ( 0.000 -7.308 0.000) 7.308 29.424 ( 0.000 -1.804 0.000) 1.804 29.590 ( 0.000 4.911 0.000) 4.911 29.675 ( 0.000 -3.171 0.000) 3.171 29.944 ( 0.000 3.597 0.000) 3.597 29.994 ( 0.000 -0.986 0.000) 0.986 30.363 ( 0.000 1.384 0.000) 1.384 30.414 ( 0.000 -2.988 0.000) 2.988 30.613 ( 0.000 4.547 0.000) 4.547 30.710 ( 0.000 -4.230 0.000) 4.230 30.880 ( 0.000 10.228 0.000) 10.228 31.053 ( 0.000 -5.736 0.000) 5.736 31.337 ( 0.000 -0.100 0.000) 0.100 31.404 ( 0.000 -7.498 0.000) 7.498 32.071 ( 0.000 3.803 0.000) 3.803 32.140 ( 0.000 -3.088 0.000) 3.088 32.557 ( 0.000 0.210 0.000) 0.210 32.577 ( 0.000 -1.838 0.000) 1.838 32.801 ( 0.000 1.559 0.000) 1.559 32.831 ( 0.000 -1.330 0.000) 1.330 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 7.421 16.561 3.423) 18.468 1.165 ( 3.743 11.502 -2.036) 12.266 1.477 ( 6.203 -4.607 4.659) 9.023 1.557 ( 4.765 -6.284 3.118) 8.480 1.572 ( 5.996 -1.509 0.808) 6.236 1.624 ( 0.797 -3.258 2.697) 4.304 1.843 ( 1.681 7.837 -0.857) 8.061 1.879 ( 3.522 2.544 -2.668) 5.099 1.956 ( -0.950 8.794 -0.268) 8.849 2.010 ( -0.549 4.148 5.825) 7.172 2.108 ( 0.230 -3.213 0.758) 3.309 2.177 ( -4.401 -5.807 7.445) 10.417 2.232 ( -5.328 -2.565 -1.793) 6.179 2.320 ( 0.528 -1.119 -5.653) 5.787 2.374 ( 5.602 15.544 -4.615) 17.155 2.487 ( -8.848 4.567 9.301) 13.626 2.672 ( -3.112 -4.280 4.352) 6.851 2.688 ( -0.882 0.439 0.972) 1.384 2.738 ( -0.853 1.770 -1.539) 2.495 2.771 ( 0.554 1.442 -3.547) 3.868 2.822 ( 3.216 -1.221 -6.051) 6.960 2.909 ( 1.863 -3.526 -1.657) 4.318 2.937 ( 1.113 -7.467 -0.630) 7.575 3.009 ( 5.472 -7.990 -0.699) 9.709 3.072 ( 4.045 -0.596 -1.619) 4.397 3.157 ( 4.235 -6.951 -0.366) 8.148 3.452 ( -8.402 7.133 -2.397) 11.279 3.508 ( -3.967 0.422 -1.537) 4.275 3.621 ( -2.763 1.094 0.978) 3.129 3.665 ( -5.917 -1.591 -0.515) 6.148 3.787 ( 0.769 7.688 -0.870) 7.775 3.877 ( -3.013 0.787 -0.824) 3.221 3.954 ( -0.581 3.035 0.893) 3.217 3.984 ( -2.264 4.887 0.693) 5.430 4.010 ( -0.694 -0.735 2.847) 3.021 4.049 ( -2.675 5.264 2.675) 6.482 4.130 ( -2.890 -6.016 -1.176) 6.777 4.180 ( -3.834 -2.224 2.120) 4.913 4.225 ( -1.902 -0.938 -1.262) 2.468 4.240 ( -1.435 -5.839 0.424) 6.028 4.347 ( -1.861 5.312 1.901) 5.941 4.419 ( 2.044 0.544 2.067) 2.957 4.470 ( -0.946 4.723 -1.528) 5.053 4.569 ( -0.569 -2.821 0.231) 2.887 4.616 ( 5.139 1.349 -2.426) 5.841 4.691 ( 3.499 -4.826 -3.900) 7.123 4.711 ( 1.932 0.601 -1.177) 2.341 4.790 ( -3.491 -5.081 -0.799) 6.216 5.001 ( -4.967 2.528 0.564) 5.601 5.122 ( -6.062 -6.784 -0.731) 9.127 5.210 ( -2.699 4.641 -2.833) 6.071 5.285 ( -0.174 -0.702 -0.737) 1.033 5.440 ( -0.607 8.008 -1.007) 8.094 5.643 ( 1.543 -10.066 1.102) 10.243 5.772 ( -2.178 3.800 2.632) 5.109 5.846 ( -0.042 -3.340 3.111) 4.565 6.361 ( 3.906 1.334 -0.578) 4.168 6.375 ( 3.295 0.001 -0.763) 3.382 6.546 ( 1.707 2.061 0.923) 2.831 6.581 ( 3.193 -1.527 2.298) 4.220 7.026 ( -0.666 1.927 -0.441) 2.086 7.069 ( -1.726 -1.801 0.148) 2.499 7.253 ( 4.719 5.586 -0.131) 7.314 7.391 ( 9.302 -7.905 -0.051) 12.208 8.001 ( -0.942 4.221 0.543) 4.359 8.084 ( -0.420 -3.500 0.351) 3.542 8.147 ( 2.500 2.554 -0.890) 3.683 8.213 ( 1.408 -3.547 0.150) 3.819 8.552 ( -1.126 3.349 0.396) 3.555 8.618 ( -2.388 0.665 0.025) 2.479 8.635 ( -0.199 -0.383 -0.952) 1.046 8.731 ( -1.548 -5.158 0.349) 5.397 9.167 ( 0.881 0.766 0.683) 1.352 9.189 ( 0.717 -1.343 1.058) 1.854 9.326 ( 0.695 1.069 -0.922) 1.574 9.342 ( 0.700 -0.604 -2.543) 2.705 10.409 ( -1.513 -1.511 0.102) 2.141 10.413 ( -1.863 -1.870 -0.282) 2.655 10.782 ( 0.152 2.908 -0.196) 2.918 10.819 ( -0.330 -0.070 0.732) 0.805 10.861 ( -0.291 3.510 -1.386) 3.785 10.949 ( 0.365 -3.590 -2.146) 4.198 11.000 ( 3.250 0.674 1.945) 3.847 11.032 ( 3.270 -1.576 1.097) 3.792 11.576 ( -1.502 1.347 0.964) 2.236 11.594 ( -1.165 -0.499 -0.497) 1.362 11.688 ( -2.092 1.606 0.087) 2.639 11.719 ( -0.820 -1.423 0.690) 1.781 12.522 ( 0.280 1.410 -0.279) 1.465 12.550 ( -0.319 -1.161 -0.414) 1.273 12.672 ( 0.277 1.259 -0.217) 1.307 12.704 ( 0.554 -1.850 0.444) 1.981 14.151 ( 0.162 1.256 -0.057) 1.268 14.179 ( 0.061 -1.482 0.204) 1.497 14.475 ( -2.329 0.907 1.210) 2.777 14.495 ( -1.761 -1.090 0.808) 2.223 14.576 ( 0.242 1.009 0.963) 1.416 14.600 ( 0.683 -0.971 0.873) 1.474 14.698 ( 3.568 0.753 -2.610) 4.484 14.714 ( 3.230 -0.680 -1.288) 3.543 15.537 ( -1.405 0.801 -0.302) 1.645 15.559 ( -1.591 -1.336 -0.327) 2.103 15.666 ( 0.743 0.878 0.570) 1.283 15.678 ( 0.056 -0.172 0.897) 0.915 16.040 ( 0.197 0.145 -0.852) 0.886 16.053 ( -0.045 -1.061 -0.321) 1.109 16.265 ( 1.321 0.832 -0.082) 1.563 16.279 ( 0.885 -0.398 0.466) 1.076 16.643 ( 0.196 1.211 -0.400) 1.290 16.670 ( -0.332 -1.336 -0.423) 1.440 16.939 ( -0.251 4.472 -0.047) 4.479 17.011 ( -0.585 -2.372 -0.051) 2.443 17.082 ( 0.234 0.519 2.063) 2.140 17.100 ( 1.024 -1.247 2.231) 2.753 17.203 ( -1.500 0.342 -0.341) 1.576 17.214 ( -1.283 -0.634 -0.882) 1.681 18.319 ( -0.174 0.098 -0.391) 0.439 18.334 ( 1.256 -1.676 0.126) 2.098 18.530 ( -0.156 5.957 -0.597) 5.988 18.646 ( -1.800 -4.100 0.722) 4.535 18.709 ( 0.195 1.941 0.556) 2.028 18.736 ( 1.714 -1.187 -1.117) 2.365 18.893 ( -1.824 0.166 0.630) 1.936 18.908 ( -1.953 -1.160 -0.274) 2.288 27.738 ( 0.158 1.635 -0.144) 1.648 27.795 ( -0.019 -3.784 -0.503) 3.817 27.814 ( -0.182 3.639 0.575) 3.688 27.901 ( -0.284 -4.650 0.062) 4.659 28.073 ( -0.361 0.303 0.069) 0.476 28.076 ( -0.332 0.169 0.001) 0.373 28.176 ( -0.130 0.808 0.016) 0.818 28.202 ( -0.338 -1.586 -0.189) 1.632 29.063 ( -0.071 9.190 -0.606) 9.210 29.170 ( 0.363 0.777 1.586) 1.803 29.251 ( -1.859 1.847 -1.616) 3.079 29.337 ( -2.047 -2.131 1.004) 3.121 29.416 ( 1.383 -1.982 -0.313) 2.437 29.425 ( 0.460 -1.640 -0.435) 1.758 29.540 ( -4.585 4.454 0.230) 6.397 29.601 ( -6.383 -0.570 0.951) 6.478 29.885 ( -2.843 3.578 -7.041) 8.394 29.954 ( -3.771 -2.910 -4.609) 6.628 30.278 ( -5.002 3.973 -1.760) 6.626 30.370 ( -2.264 -4.642 -0.618) 5.201 30.745 ( 7.350 6.720 3.958) 10.717 30.857 ( 7.395 2.124 2.460) 8.078 30.908 ( 5.564 2.176 3.730) 7.043 31.052 ( -0.097 -4.592 -0.520) 4.622 31.324 ( 0.610 -2.589 -7.625) 8.076 31.369 ( -2.567 -7.435 -2.232) 8.176 31.984 ( -9.353 2.624 6.528) 11.704 32.016 ( -8.495 -0.536 6.575) 10.756 32.536 ( -0.622 2.159 -1.837) 2.903 32.596 ( 2.841 -3.644 -1.598) 4.889 32.900 ( 9.532 5.041 -0.253) 10.786 33.021 ( 11.257 -7.271 1.102) 13.446 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 6.281 11.550 3.384) 13.575 1.287 ( 5.406 1.842 -0.325) 5.720 1.545 ( 3.469 3.600 0.689) 5.046 1.617 ( 2.738 -3.558 3.032) 5.418 1.719 ( 6.336 2.235 0.668) 6.752 1.758 ( 8.083 -1.740 6.162) 10.312 1.874 ( -0.987 3.781 0.557) 3.948 1.945 ( 1.180 2.380 -3.738) 4.586 1.953 ( 2.671 4.504 0.361) 5.249 1.994 ( 0.772 0.055 0.728) 1.063 2.067 ( -3.789 -1.964 -0.499) 4.297 2.094 ( -3.973 -5.883 5.231) 8.818 2.173 ( -1.144 0.705 -0.261) 1.368 2.295 ( -5.162 4.801 5.024) 8.656 2.307 ( -3.731 -7.358 -4.695) 9.492 2.449 ( -5.237 -3.480 4.516) 7.742 2.626 ( 3.226 3.082 -0.809) 4.534 2.663 ( 0.350 -3.121 1.520) 3.489 2.785 ( 3.314 7.597 -0.433) 8.299 2.835 ( 6.428 4.360 -2.951) 8.309 2.853 ( 2.335 4.068 -1.248) 4.854 2.959 ( 3.708 0.179 -5.002) 6.230 2.984 ( 1.873 -0.104 -1.625) 2.483 3.094 ( 2.045 -3.145 1.690) 4.115 3.171 ( 5.042 -0.524 0.424) 5.087 3.245 ( 2.904 -4.602 -3.530) 6.487 3.310 ( -5.719 4.645 -1.398) 7.499 3.419 ( -5.047 -5.044 -2.483) 7.555 3.526 ( -5.212 0.935 0.088) 5.296 3.547 ( -2.725 -0.615 0.520) 2.842 3.720 ( -7.983 5.570 -0.468) 9.746 3.790 ( -4.849 1.114 -0.275) 4.983 3.909 ( -1.480 6.336 -0.386) 6.518 3.950 ( -5.192 3.162 3.323) 6.928 3.979 ( 1.284 -0.496 1.566) 2.085 4.033 ( 0.335 1.345 0.824) 1.612 4.069 ( -2.689 -5.883 -0.741) 6.511 4.153 ( 0.127 -4.971 -0.243) 4.979 4.195 ( -2.678 0.526 1.330) 3.036 4.238 ( 1.547 -1.325 1.417) 2.481 4.338 ( 0.501 3.508 0.972) 3.674 4.434 ( -1.780 -1.166 -1.805) 2.790 4.461 ( 1.781 3.725 1.222) 4.306 4.536 ( -2.473 -2.238 0.167) 3.339 4.628 ( -7.184 4.130 0.157) 8.288 4.706 ( 1.849 1.174 -2.345) 3.209 4.749 ( 1.894 -1.701 -3.344) 4.202 4.763 ( 2.116 -4.063 -2.831) 5.386 4.946 ( -2.970 -3.911 2.999) 5.754 4.995 ( -4.893 -8.201 -0.955) 9.598 5.184 ( 0.267 4.875 -2.491) 5.481 5.279 ( -0.003 -3.830 -1.365) 4.066 5.434 ( 0.102 11.014 0.003) 11.015 5.662 ( 0.337 -10.436 -0.032) 10.442 5.754 ( -0.044 4.825 2.064) 5.248 5.849 ( 0.295 -4.059 2.265) 4.658 6.419 ( 1.645 2.505 0.450) 3.031 6.443 ( 3.583 0.373 -0.934) 3.721 6.569 ( 0.265 3.439 1.250) 3.669 6.642 ( 2.169 -2.747 1.154) 3.686 7.057 ( 2.826 -0.369 -0.335) 2.869 7.067 ( 1.226 -0.924 0.186) 1.546 7.330 ( 2.916 8.579 -0.175) 9.062 7.534 ( 4.950 -11.170 -0.051) 12.218 7.962 ( -2.585 4.812 0.897) 5.536 8.059 ( -1.786 -4.067 1.142) 4.586 8.198 ( 2.227 2.119 -0.847) 3.188 8.256 ( 2.243 -3.672 -0.389) 4.320 8.526 ( -1.332 4.181 0.922) 4.483 8.562 ( -2.819 1.820 -0.799) 3.450 8.630 ( -0.202 -1.884 -0.583) 1.983 8.698 ( -1.509 -5.381 -0.102) 5.590 9.187 ( 0.902 0.732 0.872) 1.453 9.206 ( 0.841 -1.222 1.155) 1.880 9.340 ( 0.763 0.995 -0.799) 1.487 9.354 ( 0.485 -0.353 -2.512) 2.583 10.376 ( -1.376 -1.674 -0.044) 2.168 10.382 ( -1.256 -2.292 0.025) 2.614 10.782 ( -0.049 2.828 -0.043) 2.829 10.822 ( 0.466 0.179 0.571) 0.758 10.853 ( -0.441 3.769 -1.240) 3.993 10.956 ( 0.306 -5.035 -1.047) 5.152 11.063 ( 2.611 2.692 1.092) 3.906 11.100 ( 3.213 -1.006 0.589) 3.418 11.546 ( -1.296 1.606 1.091) 2.335 11.563 ( -1.784 -0.131 -0.403) 1.834 11.658 ( -0.907 2.174 0.175) 2.362 11.702 ( -0.780 -1.846 0.373) 2.038 12.525 ( 0.056 1.406 -0.251) 1.430 12.548 ( 0.115 -0.804 -0.364) 0.890 12.678 ( 0.274 1.329 -0.181) 1.369 12.710 ( 0.038 -1.696 0.353) 1.733 14.156 ( 0.302 1.097 -0.024) 1.138 14.181 ( 0.072 -1.329 0.241) 1.353 14.437 ( -1.519 1.056 0.790) 2.011 14.464 ( -1.268 -1.530 0.292) 2.009 14.581 ( 0.245 1.375 0.656) 1.543 14.619 ( 0.937 -2.005 0.722) 2.328 14.754 ( 2.136 1.401 -1.746) 3.094 14.771 ( 2.321 -0.324 -0.825) 2.485 15.513 ( -0.823 0.223 -0.146) 0.865 15.527 ( -1.451 -1.046 -0.171) 1.797 15.677 ( -0.003 0.738 0.617) 0.962 15.680 ( 0.335 0.412 0.401) 0.665 16.045 ( 0.330 -0.369 -0.735) 0.886 16.053 ( 0.069 -1.080 -0.101) 1.087 16.289 ( 0.962 0.832 -0.178) 1.284 16.298 ( 0.871 0.011 0.234) 0.902 16.651 ( 0.523 0.136 -0.180) 0.569 16.664 ( -0.191 -1.005 -0.313) 1.070 16.937 ( 0.022 4.565 0.091) 4.566 16.999 ( -0.561 -1.300 0.415) 1.476 17.093 ( 0.724 0.812 1.798) 2.102 17.123 ( 1.258 -1.898 2.168) 3.144 17.175 ( -1.321 -0.254 -0.581) 1.465 17.183 ( -1.641 -1.098 -1.510) 2.486 18.315 ( -0.178 1.553 0.091) 1.566 18.360 ( 1.135 -3.130 0.134) 3.332 18.535 ( 0.833 3.971 -1.722) 4.407 18.608 ( -2.165 -2.148 0.321) 3.067 18.702 ( -0.728 2.021 1.118) 2.422 18.762 ( 0.670 -2.815 -0.186) 2.899 18.861 ( -1.292 0.449 1.027) 1.710 18.879 ( -0.643 -1.112 -0.983) 1.618 27.741 ( 0.166 1.565 -0.137) 1.579 27.795 ( 0.075 -3.392 -0.623) 3.449 27.810 ( -0.247 3.394 0.702) 3.475 27.896 ( -0.244 -4.611 0.043) 4.618 28.067 ( -0.266 0.201 0.012) 0.333 28.069 ( -0.306 0.037 -0.035) 0.310 28.173 ( -0.104 0.521 0.042) 0.533 28.194 ( -0.417 -1.395 -0.167) 1.466 29.062 ( -0.031 9.339 -0.569) 9.356 29.168 ( -0.883 7.835 2.521) 8.278 29.219 ( -0.912 -3.305 -2.329) 4.145 29.295 ( -2.094 -1.848 0.843) 2.917 29.422 ( 0.168 1.109 -0.982) 1.491 29.448 ( 0.542 -3.136 0.211) 3.190 29.456 ( -2.709 2.483 -0.598) 3.723 29.491 ( -4.118 -0.015 -0.193) 4.123 29.850 ( -0.738 0.777 -4.405) 4.534 29.884 ( -2.647 -2.347 -2.725) 4.466 30.208 ( -2.247 6.084 0.305) 6.493 30.339 ( -1.023 -6.621 0.217) 6.703 30.787 ( -0.457 11.862 1.133) 11.925 30.968 ( 1.700 -4.033 -0.468) 4.401 31.007 ( 3.469 2.605 1.883) 4.729 31.045 ( -1.226 -1.243 1.402) 2.239 31.346 ( 4.256 -1.565 -5.843) 7.397 31.443 ( 9.201 -8.756 -5.128) 13.697 31.777 ( -10.569 3.898 7.667) 13.626 31.864 ( -8.359 -4.017 6.480) 11.314 32.546 ( 1.133 4.516 -1.426) 4.869 32.654 ( 2.536 -5.699 -1.367) 6.386 33.079 ( 7.840 3.583 -0.533) 8.637 33.172 ( 3.976 -5.601 1.514) 7.033 ======================= Grid point 17 (12/48) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 0.000 7.909 0.000) 7.909 1.331 ( 0.000 2.350 0.000) 2.350 1.594 ( 0.000 2.229 0.000) 2.229 1.667 ( 0.000 -6.048 -0.000) 6.048 1.760 ( 0.000 2.028 -0.000) 2.028 1.831 ( 0.000 -2.834 -0.000) 2.834 1.884 ( 0.000 10.050 -0.000) 10.050 1.927 ( 0.000 6.393 0.000) 6.393 1.981 ( -0.000 7.449 0.000) 7.449 2.015 ( 0.000 2.481 -0.000) 2.481 2.050 ( -0.000 -2.975 -0.000) 2.975 2.079 ( -0.000 -3.350 0.000) 3.350 2.102 ( 0.000 2.304 -0.000) 2.304 2.270 ( 0.000 -5.625 0.000) 5.625 2.292 ( 0.000 -4.997 -0.000) 4.997 2.332 ( 0.000 -11.074 0.000) 11.074 2.664 ( 0.000 -0.225 -0.000) 0.225 2.676 ( 0.000 -3.027 0.000) 3.027 2.842 ( -0.000 0.995 0.000) 0.995 2.848 ( 0.000 2.529 -0.000) 2.529 2.969 ( 0.000 3.874 -0.000) 3.874 2.989 ( 0.000 7.617 0.000) 7.617 3.061 ( -0.000 5.509 0.000) 5.509 3.109 ( 0.000 -3.363 -0.000) 3.363 3.187 ( 0.000 1.530 0.000) 1.530 3.218 ( 0.000 0.698 -0.000) 0.698 3.268 ( 0.000 1.717 -0.000) 1.717 3.335 ( 0.000 -4.277 0.000) 4.277 3.515 ( -0.000 1.207 0.000) 1.207 3.525 ( 0.000 4.982 0.000) 4.982 3.646 ( 0.000 0.718 0.000) 0.718 3.704 ( 0.000 -0.885 -0.000) 0.885 3.881 ( 0.000 5.113 0.000) 5.113 3.904 ( 0.000 5.468 -0.000) 5.468 4.004 ( -0.000 -6.356 -0.000) 6.356 4.013 ( 0.000 -3.728 0.000) 3.728 4.054 ( 0.000 0.859 -0.000) 0.859 4.152 ( 0.000 4.374 -0.000) 4.374 4.170 ( 0.000 -5.671 -0.000) 5.671 4.256 ( 0.000 -1.250 -0.000) 1.250 4.345 ( 0.000 3.795 -0.000) 3.795 4.407 ( 0.000 -0.761 0.000) 0.761 4.489 ( 0.000 0.614 0.000) 0.614 4.519 ( -0.000 -3.138 -0.000) 3.138 4.528 ( 0.000 8.173 0.000) 8.173 4.727 ( 0.000 -0.226 -0.000) 0.226 4.770 ( 0.000 -0.540 0.000) 0.540 4.791 ( 0.000 -12.970 -0.000) 12.970 4.873 ( -0.000 1.779 0.000) 1.779 4.971 ( 0.000 -7.730 0.000) 7.730 5.193 ( 0.000 4.238 0.000) 4.238 5.280 ( 0.000 -4.135 -0.000) 4.135 5.437 ( 0.000 11.033 -0.000) 11.033 5.663 ( 0.000 -10.382 0.000) 10.382 5.756 ( 0.000 4.858 -0.000) 4.858 5.854 ( 0.000 -4.241 0.000) 4.241 6.434 ( 0.000 3.268 0.000) 3.268 6.486 ( 0.000 -1.878 0.000) 1.878 6.565 ( 0.000 5.850 -0.000) 5.850 6.661 ( 0.000 -2.802 0.000) 2.802 7.085 ( 0.000 -0.151 -0.000) 0.151 7.094 ( 0.000 -1.386 0.000) 1.386 7.359 ( 0.000 9.484 -0.000) 9.484 7.581 ( 0.000 -11.884 0.000) 11.884 7.931 ( 0.000 5.106 0.000) 5.106 8.038 ( 0.000 -4.871 0.000) 4.871 8.221 ( 0.000 2.260 0.000) 2.260 8.280 ( 0.000 -3.652 0.000) 3.652 8.512 ( 0.000 4.961 -0.000) 4.961 8.530 ( 0.000 1.519 0.000) 1.519 8.628 ( 0.000 -2.085 -0.000) 2.085 8.682 ( 0.000 -5.346 -0.000) 5.346 9.197 ( 0.000 0.722 0.000) 0.722 9.216 ( 0.000 -1.184 -0.000) 1.184 9.349 ( 0.000 0.796 0.000) 0.796 9.357 ( 0.000 0.006 0.000) 0.006 10.362 ( 0.000 -1.863 -0.000) 1.863 10.369 ( 0.000 -2.392 -0.000) 2.392 10.782 ( 0.000 2.956 0.000) 2.956 10.830 ( 0.000 -1.400 0.000) 1.400 10.846 ( 0.000 5.398 -0.000) 5.398 10.959 ( 0.000 -5.310 -0.000) 5.310 11.090 ( 0.000 3.599 -0.000) 3.599 11.136 ( 0.000 -1.090 -0.000) 1.090 11.535 ( 0.000 1.290 0.000) 1.290 11.540 ( -0.000 0.344 -0.000) 0.344 11.650 ( 0.000 1.972 -0.000) 1.972 11.694 ( 0.000 -1.932 0.000) 1.932 12.525 ( 0.000 1.486 0.000) 1.486 12.550 ( 0.000 -0.896 -0.000) 0.896 12.681 ( 0.000 1.265 0.000) 1.265 12.710 ( 0.000 -1.449 -0.000) 1.449 14.159 ( 0.000 0.949 0.000) 0.949 14.182 ( 0.000 -1.228 0.000) 1.228 14.422 ( 0.000 1.184 0.000) 1.184 14.451 ( 0.000 -1.596 0.000) 1.596 14.584 ( 0.000 1.535 0.000) 1.535 14.629 ( 0.000 -2.604 -0.000) 2.604 14.775 ( 0.000 1.853 0.000) 1.853 14.795 ( 0.000 -0.225 -0.000) 0.225 15.507 ( 0.000 -0.430 -0.000) 0.430 15.509 ( -0.000 -0.593 -0.000) 0.593 15.676 ( 0.000 0.991 -0.000) 0.991 15.684 ( 0.000 0.182 -0.000) 0.182 16.049 ( 0.000 -0.463 -0.000) 0.463 16.055 ( 0.000 -1.104 -0.000) 1.104 16.299 ( 0.000 0.899 0.000) 0.899 16.307 ( 0.000 0.098 -0.000) 0.098 16.657 ( 0.000 -0.382 -0.000) 0.382 16.662 ( 0.000 -0.679 0.000) 0.679 16.937 ( 0.000 4.504 0.000) 4.504 16.994 ( 0.000 -0.850 0.000) 0.850 17.104 ( 0.000 1.239 0.000) 1.239 17.149 ( 0.000 0.075 0.000) 0.075 17.152 ( -0.000 -3.391 -0.000) 3.391 17.159 ( 0.000 -0.917 0.000) 0.917 18.313 ( 0.000 2.463 -0.000) 2.463 18.372 ( 0.000 -3.436 -0.000) 3.436 18.556 ( 0.000 2.041 -0.000) 2.041 18.572 ( 0.000 -0.367 0.000) 0.367 18.694 ( 0.000 1.527 0.000) 1.527 18.765 ( 0.000 -4.098 0.000) 4.098 18.850 ( 0.000 1.216 -0.000) 1.216 18.874 ( 0.000 -1.029 0.000) 1.029 27.743 ( 0.000 1.533 -0.000) 1.533 27.797 ( 0.000 -3.676 -0.000) 3.676 27.807 ( 0.000 3.742 0.000) 3.742 27.893 ( 0.000 -4.602 0.000) 4.602 28.064 ( 0.000 0.109 -0.000) 0.109 28.065 ( 0.000 -0.009 0.000) 0.009 28.172 ( 0.000 0.318 0.000) 0.318 28.189 ( 0.000 -1.252 0.000) 1.252 29.061 ( 0.000 9.330 0.000) 9.330 29.155 ( 0.000 10.150 -0.000) 10.150 29.210 ( 0.000 -3.944 0.000) 3.944 29.274 ( 0.000 -2.193 -0.000) 2.193 29.419 ( 0.000 -0.431 0.000) 0.431 29.428 ( -0.000 1.600 -0.000) 1.600 29.447 ( 0.000 1.488 -0.000) 1.488 29.464 ( 0.000 -3.454 0.000) 3.454 29.844 ( 0.000 -0.408 0.000) 0.408 29.856 ( 0.000 -1.582 -0.000) 1.582 30.187 ( 0.000 6.616 0.000) 6.616 30.329 ( 0.000 -7.192 0.000) 7.192 30.780 ( 0.000 12.470 -0.000) 12.470 30.981 ( 0.000 -5.337 -0.000) 5.337 31.015 ( 0.000 0.868 0.000) 0.868 31.033 ( 0.000 -0.912 0.000) 0.912 31.469 ( 0.000 3.806 -0.000) 3.806 31.530 ( 0.000 -3.369 0.000) 3.369 31.698 ( 0.000 -3.653 -0.000) 3.653 31.708 ( -0.000 -5.056 0.000) 5.056 32.559 ( 0.000 5.142 -0.000) 5.142 32.679 ( 0.000 -6.222 -0.000) 6.222 33.179 ( 0.000 -0.355 -0.000) 0.355 33.187 ( -0.000 -1.066 0.000) 1.066 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( -7.770 0.000 17.293) 18.959 0.487 ( -8.550 0.000 22.002) 23.605 1.017 ( -0.447 0.000 42.678) 42.680 1.442 ( 3.221 0.000 -7.496) 8.159 1.523 ( 2.587 0.000 3.972) 4.741 1.692 ( 1.561 0.000 -2.818) 3.222 1.743 ( 1.344 0.000 5.051) 5.227 1.865 ( -1.112 0.000 -2.021) 2.306 1.890 ( 1.220 0.000 5.173) 5.314 1.913 ( 3.656 0.000 3.321) 4.939 2.066 ( -4.172 0.000 3.315) 5.328 2.086 ( 0.773 0.000 -2.157) 2.292 2.295 ( 1.887 0.000 -4.076) 4.491 2.328 ( 1.775 0.000 -5.207) 5.501 2.463 ( 2.174 0.000 -4.168) 4.701 2.590 ( -2.537 0.000 0.928) 2.702 2.638 ( 0.536 0.000 -0.709) 0.888 2.821 ( 0.309 0.000 1.775) 1.802 2.835 ( 6.553 0.000 -3.464) 7.412 2.865 ( -7.317 0.000 0.005) 7.317 2.926 ( -1.531 0.000 3.687) 3.992 2.953 ( 2.040 0.000 0.443) 2.087 3.068 ( 1.331 0.000 0.031) 1.331 3.190 ( 5.212 0.000 1.828) 5.523 3.287 ( -3.082 0.000 2.507) 3.972 3.289 ( -2.932 0.000 -0.653) 3.003 3.428 ( 2.651 0.000 -0.175) 2.657 3.527 ( 1.122 0.000 -3.939) 4.095 3.550 ( 2.205 0.000 -6.547) 6.908 3.631 ( -10.300 0.000 7.139) 12.532 3.665 ( 0.736 0.000 5.679) 5.727 3.698 ( -3.164 0.000 -9.218) 9.746 3.756 ( 3.017 0.000 4.377) 5.316 3.886 ( 5.602 0.000 0.161) 5.604 3.964 ( -4.938 0.000 5.052) 7.064 3.992 ( 0.737 0.000 -3.217) 3.300 4.049 ( -3.247 0.000 -5.610) 6.482 4.159 ( -3.797 0.000 3.164) 4.942 4.171 ( 8.554 0.000 6.497) 10.741 4.356 ( -1.545 0.000 -0.671) 1.684 4.417 ( -0.894 0.000 3.744) 3.849 4.433 ( -1.574 0.000 -2.200) 2.705 4.526 ( 1.865 0.000 -0.765) 2.016 4.549 ( -3.313 0.000 2.508) 4.155 4.677 ( 3.305 0.000 6.265) 7.084 4.770 ( -0.940 0.000 -0.443) 1.039 4.867 ( -0.862 0.000 1.574) 1.795 4.971 ( 0.984 0.000 -7.494) 7.559 5.019 ( 0.012 0.000 -3.851) 3.851 5.071 ( -1.527 0.000 -7.595) 7.747 5.109 ( 3.574 0.000 -3.732) 5.168 5.354 ( 0.941 0.000 -1.256) 1.569 5.591 ( 0.246 0.000 0.034) 0.248 5.737 ( -3.334 0.000 -0.417) 3.361 5.859 ( -2.316 0.000 2.595) 3.478 5.952 ( 1.572 0.000 3.078) 3.456 6.223 ( 14.951 0.000 -2.271) 15.123 6.236 ( 0.483 0.000 -3.791) 3.822 6.354 ( -0.826 0.000 -0.745) 1.112 6.411 ( -1.975 0.000 -2.988) 3.581 7.021 ( -0.534 0.000 1.371) 1.471 7.098 ( -1.855 0.000 0.277) 1.875 7.153 ( 1.789 0.000 0.614) 1.891 7.314 ( 4.995 0.000 -2.305) 5.501 7.933 ( 1.133 0.000 1.826) 2.149 8.014 ( 1.412 0.000 0.983) 1.720 8.051 ( -0.875 0.000 0.052) 0.876 8.154 ( -0.958 0.000 -2.297) 2.489 8.400 ( -0.359 0.000 1.706) 1.744 8.646 ( -0.628 0.000 -4.852) 4.892 8.818 ( -2.138 0.000 2.577) 3.349 8.863 ( 0.071 0.000 0.333) 0.341 9.140 ( 0.252 0.000 0.280) 0.376 9.243 ( 0.492 0.000 -1.294) 1.384 9.319 ( 1.607 0.000 5.198) 5.441 9.752 ( -6.540 0.000 -4.902) 8.173 10.507 ( -0.122 0.000 0.549) 0.563 10.537 ( 0.490 0.000 0.136) 0.509 10.715 ( 1.569 0.000 0.115) 1.573 10.731 ( -1.294 0.000 -0.015) 1.294 10.769 ( 0.165 0.000 -0.729) 0.747 10.860 ( 0.215 0.000 -2.601) 2.610 11.047 ( 0.298 0.000 1.279) 1.313 11.078 ( -0.657 0.000 0.971) 1.173 11.430 ( 0.152 0.000 1.634) 1.641 11.599 ( -0.095 0.000 -1.835) 1.837 11.696 ( -6.565 0.000 -0.112) 6.566 11.739 ( 0.415 0.000 -1.149) 1.221 12.496 ( -0.065 0.000 1.033) 1.035 12.555 ( -0.420 0.000 1.994) 2.037 12.627 ( 0.038 0.000 -1.476) 1.476 12.729 ( 1.854 0.000 -1.696) 2.513 14.133 ( -0.659 0.000 0.998) 1.196 14.216 ( 1.917 0.000 -0.523) 1.987 14.442 ( 1.666 0.000 -1.439) 2.201 14.469 ( -3.309 0.000 -2.811) 4.342 14.577 ( 0.687 0.000 0.055) 0.689 14.602 ( 2.699 0.000 0.165) 2.704 14.648 ( -2.410 0.000 1.955) 3.104 14.698 ( -0.440 0.000 0.007) 0.440 15.557 ( 0.650 0.000 -0.625) 0.902 15.566 ( -4.080 0.000 -0.843) 4.166 15.611 ( 0.717 0.000 0.246) 0.758 15.638 ( 0.388 0.000 -0.017) 0.388 16.070 ( -3.667 0.000 0.253) 3.676 16.083 ( -0.013 0.000 0.089) 0.090 16.242 ( -0.253 0.000 1.299) 1.324 16.295 ( 0.342 0.000 0.879) 0.943 16.651 ( 3.660 0.000 0.630) 3.714 16.697 ( -0.158 0.000 -0.847) 0.862 16.780 ( -0.335 0.000 2.888) 2.908 17.038 ( -2.226 0.000 -2.719) 3.514 17.111 ( 2.726 0.000 0.730) 2.822 17.203 ( -0.322 0.000 -0.989) 1.040 17.289 ( -1.299 0.000 3.598) 3.826 17.408 ( 4.017 0.000 0.406) 4.037 18.327 ( 4.864 0.000 -0.377) 4.878 18.351 ( 1.109 0.000 -0.288) 1.146 18.403 ( -1.960 0.000 2.656) 3.301 18.610 ( 1.314 0.000 -2.251) 2.607 18.632 ( 1.550 0.000 1.006) 1.848 18.653 ( -2.251 0.000 0.586) 2.326 18.892 ( 0.652 0.000 0.885) 1.099 19.024 ( -2.438 0.000 -1.794) 3.027 27.725 ( -0.251 0.000 0.225) 0.337 27.786 ( 1.861 0.000 -1.347) 2.298 27.963 ( 0.485 0.000 0.945) 1.062 28.039 ( -0.540 0.000 -0.613) 0.817 28.066 ( 0.232 0.000 0.441) 0.499 28.085 ( 0.350 0.000 1.301) 1.348 28.154 ( 0.153 0.000 -1.588) 1.595 28.227 ( -0.454 0.000 -1.506) 1.573 28.758 ( -0.105 0.000 1.077) 1.082 28.768 ( -0.048 0.000 0.555) 0.557 29.288 ( -0.087 0.000 1.034) 1.037 29.322 ( 0.722 0.000 -0.155) 0.739 29.451 ( -0.168 0.000 -0.680) 0.701 29.465 ( 0.083 0.000 1.592) 1.594 29.571 ( 0.958 0.000 -1.406) 1.701 29.680 ( -24.192 0.000 4.384) 24.586 29.769 ( 5.707 0.000 2.698) 6.312 30.177 ( -30.943 0.000 6.070) 31.533 30.265 ( -2.034 0.000 -2.395) 3.142 30.475 ( 4.122 0.000 -1.201) 4.293 30.486 ( -1.148 0.000 4.564) 4.706 30.568 ( 0.337 0.000 3.322) 3.339 31.029 ( -0.416 0.000 -6.750) 6.763 31.199 ( -6.910 0.000 -9.678) 11.892 31.372 ( 1.706 0.000 1.068) 2.013 31.759 ( 4.188 0.000 -4.094) 5.857 31.969 ( 6.397 0.000 8.737) 10.829 32.460 ( 18.578 0.000 -5.892) 19.490 32.507 ( -2.217 0.000 0.990) 2.428 32.620 ( 15.580 0.000 1.371) 15.640 32.669 ( -2.122 0.000 -0.736) 2.246 32.695 ( -3.288 0.000 -2.903) 4.386 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 15.553 0.000 11.472) 19.326 0.659 ( 24.668 0.000 5.578) 25.291 1.235 ( 16.876 0.000 27.556) 32.313 1.507 ( 4.114 0.000 -4.637) 6.199 1.590 ( 0.042 0.000 5.718) 5.719 1.727 ( 1.952 0.000 -2.211) 2.949 1.765 ( 2.724 0.000 4.310) 5.098 1.824 ( 1.765 0.000 -7.527) 7.731 1.934 ( 1.473 0.000 4.231) 4.480 1.934 ( -2.033 0.000 1.626) 2.603 2.045 ( 2.445 0.000 5.591) 6.102 2.110 ( 1.522 0.000 -1.829) 2.380 2.293 ( -4.753 0.000 -2.723) 5.478 2.358 ( 0.969 0.000 -0.868) 1.301 2.432 ( -6.160 0.000 4.687) 7.741 2.494 ( -0.990 0.000 -4.172) 4.287 2.586 ( -7.020 0.000 0.286) 7.026 2.736 ( -5.092 0.000 -3.006) 5.913 2.800 ( -9.229 0.000 1.016) 9.285 2.841 ( -1.338 0.000 -0.436) 1.407 2.897 ( 1.033 0.000 4.418) 4.537 2.999 ( 3.909 0.000 -6.212) 7.340 3.118 ( -1.345 0.000 0.191) 1.359 3.201 ( -1.077 0.000 0.228) 1.101 3.236 ( -0.411 0.000 0.865) 0.957 3.278 ( 1.487 0.000 1.502) 2.113 3.386 ( -10.518 0.000 -1.806) 10.672 3.434 ( -3.110 0.000 6.115) 6.861 3.504 ( -4.104 0.000 -0.804) 4.182 3.541 ( -0.199 0.000 -0.635) 0.665 3.743 ( -0.260 0.000 4.549) 4.557 3.744 ( 1.374 0.000 -12.532) 12.607 3.795 ( 3.168 0.000 2.125) 3.815 3.867 ( -3.352 0.000 3.337) 4.730 3.901 ( 0.634 0.000 -4.461) 4.506 3.997 ( 1.342 0.000 2.008) 2.415 4.047 ( 2.226 0.000 -1.530) 2.702 4.177 ( 4.746 0.000 4.157) 6.308 4.279 ( 0.983 0.000 6.071) 6.150 4.325 ( -1.551 0.000 -0.898) 1.792 4.346 ( -3.221 0.000 5.405) 6.292 4.413 ( -0.275 0.000 -2.472) 2.487 4.541 ( 2.615 0.000 -3.742) 4.565 4.568 ( 0.199 0.000 2.909) 2.916 4.715 ( -2.517 0.000 10.888) 11.175 4.724 ( 0.683 0.000 5.918) 5.957 4.823 ( -7.626 0.000 0.635) 7.653 4.929 ( -3.845 0.000 -3.124) 4.954 4.994 ( 0.800 0.000 -5.777) 5.832 5.053 ( 1.141 0.000 -8.774) 8.848 5.067 ( -5.354 0.000 -5.269) 7.511 5.362 ( -0.160 0.000 0.422) 0.451 5.441 ( -10.011 0.000 9.513) 13.810 5.596 ( 0.065 0.000 -0.157) 0.170 5.868 ( 1.178 0.000 -1.228) 1.702 5.984 ( 1.313 0.000 2.246) 2.601 6.264 ( 2.543 0.000 -2.543) 3.596 6.329 ( 0.199 0.000 -1.583) 1.595 6.398 ( 0.668 0.000 -4.427) 4.477 6.591 ( 8.234 0.000 -6.271) 10.350 7.021 ( 2.371 0.000 -0.500) 2.423 7.074 ( -0.316 0.000 0.010) 0.316 7.179 ( 0.873 0.000 2.041) 2.220 7.691 ( 17.206 0.000 -16.312) 23.709 7.938 ( -0.921 0.000 2.700) 2.853 8.040 ( 0.982 0.000 2.301) 2.502 8.133 ( 1.536 0.000 -4.344) 4.608 8.177 ( 9.862 0.000 -8.804) 13.220 8.390 ( -0.605 0.000 1.846) 1.943 8.619 ( -2.100 0.000 -2.096) 2.967 8.768 ( -2.371 0.000 3.177) 3.964 8.845 ( -1.730 0.000 0.122) 1.734 9.152 ( 0.854 0.000 0.373) 0.932 9.251 ( 0.203 0.000 -1.201) 1.218 9.347 ( 0.758 0.000 5.975) 6.023 9.487 ( -12.774 0.000 4.473) 13.534 10.501 ( -0.584 0.000 0.451) 0.738 10.550 ( 0.429 0.000 0.351) 0.555 10.703 ( -0.633 0.000 0.777) 1.002 10.728 ( -0.376 0.000 1.479) 1.526 10.767 ( -0.246 0.000 -1.700) 1.717 10.868 ( 0.653 0.000 -2.599) 2.680 11.073 ( 0.259 0.000 0.559) 0.615 11.075 ( 2.455 0.000 0.883) 2.609 11.438 ( 0.502 0.000 1.664) 1.738 11.582 ( -1.907 0.000 1.952) 2.729 11.607 ( -0.429 0.000 -0.506) 0.664 11.741 ( -0.258 0.000 -0.975) 1.008 12.492 ( -0.368 0.000 0.785) 0.867 12.556 ( 0.386 0.000 1.692) 1.736 12.611 ( -0.728 0.000 -2.008) 2.135 12.759 ( 0.476 0.000 -2.772) 2.813 14.126 ( 0.114 0.000 0.691) 0.701 14.232 ( -0.223 0.000 0.820) 0.850 14.454 ( -0.056 0.000 -5.113) 5.113 14.459 ( -0.484 0.000 -0.293) 0.565 14.590 ( 0.668 0.000 -0.875) 1.101 14.635 ( 0.667 0.000 0.799) 1.041 14.642 ( 1.957 0.000 1.586) 2.519 14.725 ( 2.671 0.000 -0.044) 2.671 15.503 ( -1.458 0.000 -0.893) 1.710 15.557 ( -0.597 0.000 -0.289) 0.663 15.635 ( 1.293 0.000 0.095) 1.296 15.646 ( 0.404 0.000 0.237) 0.468 16.048 ( 0.624 0.000 0.960) 1.145 16.089 ( 0.540 0.000 0.276) 0.606 16.252 ( 1.019 0.000 1.274) 1.632 16.315 ( 1.176 0.000 1.527) 1.927 16.698 ( 0.365 0.000 -0.942) 1.011 16.701 ( 1.100 0.000 -0.778) 1.348 16.783 ( 0.453 0.000 3.332) 3.362 16.997 ( -1.796 0.000 -2.234) 2.866 17.161 ( 2.382 0.000 0.386) 2.413 17.190 ( -0.922 0.000 -1.580) 1.829 17.253 ( -2.363 0.000 2.457) 3.409 17.289 ( -8.220 0.000 7.081) 10.849 18.349 ( -0.653 0.000 -0.693) 0.952 18.351 ( -1.249 0.000 1.161) 1.705 18.571 ( 6.720 0.000 -5.501) 8.684 18.573 ( -1.936 0.000 -1.646) 2.541 18.680 ( 5.359 0.000 -0.987) 5.449 18.695 ( 3.565 0.000 -0.743) 3.641 18.892 ( -0.740 0.000 1.024) 1.263 18.937 ( -5.078 0.000 0.615) 5.115 27.723 ( 0.085 0.000 0.158) 0.180 27.779 ( -1.753 0.000 0.237) 1.769 27.969 ( -0.024 0.000 1.145) 1.145 28.020 ( -1.058 0.000 -0.469) 1.157 28.077 ( 0.622 0.000 0.497) 0.796 28.091 ( 0.222 0.000 1.118) 1.139 28.156 ( 0.175 0.000 -1.513) 1.523 28.214 ( -0.552 0.000 -1.835) 1.916 28.754 ( -0.170 0.000 0.910) 0.925 28.766 ( -0.234 0.000 0.498) 0.550 29.254 ( -6.641 0.000 9.511) 11.600 29.254 ( -2.968 0.000 0.939) 3.113 29.320 ( -1.031 0.000 -0.129) 1.039 29.432 ( -1.089 0.000 0.277) 1.124 29.462 ( -0.587 0.000 0.528) 0.790 29.603 ( 1.924 0.000 0.508) 1.989 29.893 ( 5.035 0.000 8.147) 9.578 29.970 ( -1.728 0.000 4.426) 4.752 30.139 ( -8.171 0.000 -2.093) 8.435 30.485 ( 0.222 0.000 4.677) 4.683 30.547 ( 1.626 0.000 0.379) 1.669 30.659 ( 8.032 0.000 3.624) 8.811 30.974 ( -4.702 0.000 -7.608) 8.944 31.125 ( -1.149 0.000 -5.491) 5.610 31.432 ( 5.639 0.000 -1.867) 5.940 31.659 ( -10.839 0.000 -3.518) 11.396 32.056 ( 0.543 0.000 4.799) 4.830 32.209 ( -15.886 0.000 5.051) 16.669 32.464 ( -0.146 0.000 2.192) 2.197 32.672 ( 9.801 0.000 -3.312) 10.345 32.703 ( 4.302 0.000 -1.108) 4.443 33.278 ( 13.947 0.000 -15.874) 21.131 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 21.279 0.000 0.692) 21.291 1.068 ( 15.354 0.000 10.631) 18.675 1.413 ( -8.330 0.000 12.323) 14.874 1.560 ( 8.658 0.000 -6.343) 10.733 1.584 ( 3.213 0.000 -3.482) 4.738 1.735 ( -2.593 0.000 -0.889) 2.741 1.861 ( 3.147 0.000 -6.335) 7.074 1.879 ( -1.128 0.000 -3.481) 3.659 1.931 ( -1.009 0.000 2.598) 2.787 2.004 ( -14.219 0.000 0.248) 14.222 2.080 ( 18.700 0.000 0.768) 18.716 2.136 ( 6.433 0.000 4.758) 8.001 2.223 ( 3.528 0.000 2.312) 4.218 2.340 ( -2.254 0.000 -2.034) 3.036 2.351 ( -6.996 0.000 1.810) 7.227 2.428 ( -14.248 0.000 -0.148) 14.249 2.466 ( -0.373 0.000 3.778) 3.796 2.527 ( -3.154 0.000 0.170) 3.159 2.657 ( -3.082 0.000 -2.831) 4.185 2.900 ( 5.591 0.000 -3.780) 6.749 2.942 ( 0.859 0.000 2.717) 2.850 3.068 ( -2.250 0.000 0.791) 2.385 3.088 ( 4.841 0.000 -5.861) 7.602 3.127 ( -6.501 0.000 -3.123) 7.212 3.214 ( 0.956 0.000 1.098) 1.456 3.232 ( -5.871 0.000 5.082) 7.765 3.372 ( -1.928 0.000 4.731) 5.109 3.374 ( -8.667 0.000 -0.687) 8.695 3.383 ( 5.446 0.000 0.904) 5.520 3.559 ( -0.686 0.000 -2.579) 2.668 3.675 ( -4.387 0.000 3.634) 5.697 3.690 ( -0.396 0.000 -7.978) 7.988 3.708 ( -6.963 0.000 7.080) 9.930 3.911 ( -0.650 0.000 1.662) 1.784 3.956 ( 1.546 0.000 -2.175) 2.669 4.080 ( 1.359 0.000 -1.735) 2.204 4.081 ( 6.146 0.000 5.248) 8.082 4.205 ( -5.409 0.000 3.713) 6.560 4.285 ( 2.407 0.000 -0.209) 2.416 4.303 ( 2.064 0.000 3.765) 4.294 4.353 ( 0.422 0.000 5.676) 5.691 4.412 ( -0.005 0.000 -2.791) 2.791 4.503 ( -6.011 0.000 6.866) 9.125 4.557 ( -10.418 0.000 2.016) 10.611 4.602 ( 2.379 0.000 -3.381) 4.134 4.736 ( 1.052 0.000 1.509) 1.840 4.762 ( 3.694 0.000 7.969) 8.783 4.900 ( -4.231 0.000 -2.689) 5.013 4.996 ( 0.792 0.000 -6.314) 6.364 5.018 ( 2.920 0.000 -3.422) 4.499 5.098 ( 2.844 0.000 -6.765) 7.339 5.349 ( -2.089 0.000 6.256) 6.595 5.352 ( -0.692 0.000 -0.574) 0.899 5.590 ( -0.523 0.000 -2.121) 2.185 5.879 ( 0.092 0.000 -2.014) 2.016 5.994 ( -0.593 0.000 2.205) 2.283 6.317 ( 2.228 0.000 -1.317) 2.589 6.346 ( 1.360 0.000 -1.258) 1.853 6.427 ( 2.669 0.000 -5.072) 5.731 6.654 ( 0.152 0.000 -1.964) 1.970 7.086 ( 1.323 0.000 0.195) 1.338 7.093 ( 3.973 0.000 -2.378) 4.630 7.193 ( 0.446 0.000 4.388) 4.411 7.876 ( 5.308 0.000 -10.735) 11.976 7.899 ( -3.029 0.000 3.301) 4.480 8.045 ( -0.668 0.000 2.995) 3.069 8.135 ( 0.069 0.000 -4.014) 4.015 8.335 ( 4.965 0.000 -11.204) 12.255 8.383 ( -0.199 0.000 2.110) 2.119 8.560 ( -3.541 0.000 2.556) 4.367 8.741 ( -0.818 0.000 1.062) 1.340 8.809 ( -1.611 0.000 -0.317) 1.642 9.167 ( 0.448 0.000 0.096) 0.459 9.245 ( -0.257 0.000 -2.425) 2.439 9.350 ( -0.754 0.000 5.330) 5.383 9.376 ( -0.246 0.000 2.932) 2.943 10.490 ( -0.402 0.000 0.228) 0.463 10.550 ( -0.281 0.000 0.132) 0.310 10.702 ( -2.191 0.000 2.479) 3.309 10.707 ( 0.553 0.000 0.430) 0.701 10.776 ( 1.340 0.000 -1.780) 2.228 10.880 ( 0.634 0.000 -2.897) 2.966 11.087 ( 0.940 0.000 0.688) 1.165 11.125 ( 2.154 0.000 0.233) 2.166 11.448 ( 0.396 0.000 1.493) 1.544 11.560 ( -0.678 0.000 2.012) 2.123 11.606 ( -0.040 0.000 -1.515) 1.516 11.730 ( -0.713 0.000 -1.147) 1.351 12.485 ( -0.259 0.000 0.493) 0.557 12.569 ( 0.726 0.000 1.301) 1.490 12.604 ( 0.041 0.000 -2.894) 2.895 12.753 ( -0.664 0.000 -1.743) 1.865 14.140 ( 1.052 0.000 1.095) 1.519 14.221 ( -0.855 0.000 0.460) 0.971 14.422 ( -2.606 0.000 -0.617) 2.678 14.444 ( -0.280 0.000 -4.419) 4.428 14.620 ( 1.908 0.000 -0.849) 2.088 14.637 ( -0.249 0.000 1.294) 1.318 14.692 ( 2.606 0.000 1.496) 3.005 14.773 ( 1.880 0.000 0.347) 1.912 15.497 ( 0.685 0.000 -2.091) 2.200 15.537 ( -1.243 0.000 -0.761) 1.458 15.651 ( 0.303 0.000 -0.115) 0.324 15.651 ( 0.005 0.000 0.744) 0.744 16.068 ( 1.069 0.000 0.812) 1.342 16.101 ( 0.566 0.000 0.416) 0.703 16.275 ( 1.103 0.000 1.530) 1.886 16.334 ( 0.573 0.000 2.172) 2.246 16.701 ( -0.713 0.000 0.239) 0.752 16.708 ( 0.615 0.000 -0.849) 1.048 16.797 ( 0.688 0.000 4.120) 4.177 16.970 ( -0.707 0.000 -1.424) 1.589 17.161 ( -2.505 0.000 0.027) 2.505 17.197 ( -1.596 0.000 2.895) 3.306 17.199 ( -0.064 0.000 2.136) 2.137 17.212 ( -0.154 0.000 -1.099) 1.110 18.308 ( -2.815 0.000 2.055) 3.485 18.356 ( 1.459 0.000 -2.285) 2.711 18.561 ( 0.490 0.000 -1.326) 1.414 18.597 ( -1.019 0.000 1.000) 1.428 18.756 ( 2.464 0.000 -0.256) 2.477 18.794 ( 4.740 0.000 -2.954) 5.585 18.847 ( -4.196 0.000 0.092) 4.197 18.869 ( -1.393 0.000 0.054) 1.394 27.728 ( 0.345 0.000 0.314) 0.467 27.751 ( -1.042 0.000 1.200) 1.589 27.966 ( -0.280 0.000 1.012) 1.050 28.003 ( -0.526 0.000 -0.274) 0.593 28.083 ( -0.099 0.000 1.371) 1.374 28.096 ( 0.320 0.000 -0.055) 0.324 28.159 ( 0.166 0.000 -1.491) 1.500 28.207 ( -0.077 0.000 -1.929) 1.931 28.753 ( -0.051 0.000 0.680) 0.682 28.762 ( -0.129 0.000 0.390) 0.411 29.195 ( -2.650 0.000 0.923) 2.806 29.246 ( 0.667 0.000 -1.733) 1.856 29.303 ( 0.811 0.000 0.728) 1.090 29.431 ( 0.948 0.000 1.863) 2.090 29.444 ( -1.077 0.000 -0.267) 1.109 29.628 ( 0.291 0.000 0.910) 0.955 29.954 ( 0.729 0.000 5.288) 5.338 29.991 ( 3.360 0.000 7.620) 8.328 30.006 ( -4.633 0.000 -0.659) 4.680 30.491 ( 0.112 0.000 4.155) 4.156 30.545 ( -1.239 0.000 -0.344) 1.286 30.848 ( 9.872 0.000 2.138) 10.101 30.907 ( -0.989 0.000 -6.386) 6.463 31.085 ( -2.383 0.000 -0.584) 2.453 31.434 ( -10.399 0.000 -3.475) 10.964 31.570 ( 7.048 0.000 -6.887) 9.854 31.956 ( -11.150 0.000 5.504) 12.434 32.007 ( -4.256 0.000 -1.222) 4.428 32.497 ( 1.946 0.000 5.478) 5.813 32.799 ( 4.960 0.000 0.718) 5.011 32.882 ( 10.850 0.000 -7.013) 12.919 33.346 ( -2.735 0.000 -7.136) 7.643 ======================= Grid point 38 (16/48) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -10.918 0.000 7.521) 13.258 1.305 ( 9.219 0.000 -8.636) 12.632 1.360 ( 3.781 0.000 16.474) 16.902 1.538 ( -10.301 0.000 -1.216) 10.373 1.674 ( -7.570 0.000 0.850) 7.617 1.736 ( 8.827 0.000 -12.530) 15.327 1.771 ( 7.414 0.000 -2.093) 7.704 1.886 ( -1.133 0.000 1.381) 1.786 1.917 ( 0.959 0.000 -4.624) 4.722 1.964 ( 3.397 0.000 -1.314) 3.642 2.046 ( -13.537 0.000 5.193) 14.499 2.077 ( -3.293 0.000 -1.530) 3.631 2.214 ( -6.311 0.000 -4.358) 7.669 2.284 ( 1.899 0.000 -1.042) 2.166 2.379 ( 6.902 0.000 4.410) 8.191 2.420 ( -3.809 0.000 -0.418) 3.832 2.558 ( 2.070 0.000 -4.594) 5.039 2.588 ( 7.202 0.000 -4.928) 8.727 2.700 ( 11.924 0.000 2.750) 12.237 2.809 ( -19.103 0.000 1.951) 19.203 2.890 ( -4.079 0.000 -0.905) 4.178 3.033 ( -4.599 0.000 -2.736) 5.351 3.075 ( 0.805 0.000 4.329) 4.403 3.154 ( 3.182 0.000 0.528) 3.226 3.208 ( 7.829 0.000 4.235) 8.901 3.217 ( -1.035 0.000 -0.955) 1.409 3.315 ( 6.971 0.000 4.519) 8.308 3.383 ( 0.743 0.000 4.175) 4.241 3.463 ( 2.854 0.000 -4.646) 5.452 3.504 ( -2.280 0.000 -7.795) 8.122 3.537 ( -3.948 0.000 5.058) 6.416 3.696 ( 0.476 0.000 6.651) 6.668 3.773 ( 6.104 0.000 1.400) 6.262 3.804 ( -7.301 0.000 5.819) 9.337 3.939 ( -2.156 0.000 -2.622) 3.395 4.118 ( 3.229 0.000 0.154) 3.232 4.119 ( -3.519 0.000 2.217) 4.159 4.185 ( 3.782 0.000 1.869) 4.219 4.260 ( -2.337 0.000 -0.579) 2.407 4.320 ( -5.170 0.000 2.665) 5.817 4.386 ( 2.642 0.000 2.126) 3.391 4.401 ( -1.548 0.000 6.683) 6.860 4.406 ( 0.017 0.000 -0.609) 0.609 4.488 ( 0.118 0.000 1.721) 1.725 4.603 ( -1.879 0.000 0.043) 1.879 4.771 ( 2.206 0.000 -0.297) 2.226 4.791 ( -2.980 0.000 2.964) 4.203 4.875 ( 4.299 0.000 1.635) 4.600 5.016 ( 0.822 0.000 -6.737) 6.787 5.099 ( 3.959 0.000 -0.007) 3.959 5.137 ( 1.108 0.000 -5.113) 5.231 5.334 ( 0.186 0.000 6.130) 6.133 5.339 ( -0.509 0.000 -3.214) 3.254 5.582 ( 0.118 0.000 -4.362) 4.364 5.876 ( -0.193 0.000 -2.131) 2.140 5.966 ( -2.083 0.000 2.301) 3.104 6.327 ( -1.020 0.000 -2.270) 2.489 6.368 ( 0.643 0.000 -1.148) 1.316 6.491 ( 3.340 0.000 -2.618) 4.244 6.626 ( -2.385 0.000 -2.441) 3.413 7.109 ( 0.676 0.000 -0.143) 0.691 7.137 ( 0.247 0.000 -2.703) 2.714 7.196 ( -0.823 0.000 6.287) 6.341 7.848 ( -1.590 0.000 2.780) 3.203 7.900 ( -2.600 0.000 -11.328) 11.623 8.022 ( -1.645 0.000 2.280) 2.812 8.138 ( 0.675 0.000 -3.319) 3.387 8.378 ( -0.535 0.000 -6.001) 6.025 8.385 ( 0.279 0.000 2.373) 2.390 8.528 ( 1.583 0.000 1.504) 2.184 8.734 ( 0.276 0.000 0.867) 0.910 8.794 ( 0.166 0.000 -0.486) 0.514 9.165 ( -0.576 0.000 -0.423) 0.715 9.246 ( 0.154 0.000 -2.730) 2.734 9.328 ( -1.582 0.000 4.034) 4.333 9.416 ( 3.430 0.000 3.173) 4.673 10.491 ( 0.506 0.000 0.070) 0.510 10.545 ( -0.213 0.000 -0.323) 0.387 10.659 ( -2.005 0.000 2.034) 2.856 10.716 ( 0.285 0.000 0.676) 0.734 10.807 ( 1.553 0.000 -1.044) 1.872 10.885 ( 0.042 0.000 -3.064) 3.064 11.102 ( 0.469 0.000 1.219) 1.307 11.141 ( -0.780 0.000 -0.414) 0.883 11.451 ( -0.185 0.000 1.314) 1.327 11.561 ( 0.957 0.000 2.300) 2.491 11.604 ( -0.059 0.000 -1.570) 1.571 11.718 ( -0.254 0.000 -1.419) 1.442 12.483 ( 0.030 0.000 0.377) 0.378 12.580 ( 0.279 0.000 1.269) 1.300 12.607 ( 0.373 0.000 -3.230) 3.252 12.739 ( -0.570 0.000 -1.291) 1.411 14.158 ( 0.442 0.000 1.735) 1.791 14.204 ( -0.805 0.000 -0.409) 0.903 14.381 ( -1.151 0.000 -1.601) 1.971 14.448 ( 1.018 0.000 -3.360) 3.511 14.631 ( -0.501 0.000 0.835) 0.974 14.643 ( 0.188 0.000 -0.421) 0.461 14.732 ( 1.202 0.000 1.899) 2.248 14.792 ( 0.013 0.000 0.438) 0.438 15.517 ( -0.622 0.000 -1.595) 1.712 15.521 ( 1.794 0.000 -1.754) 2.509 15.647 ( -0.663 0.000 -0.265) 0.714 15.647 ( -0.432 0.000 1.004) 1.093 16.088 ( 1.010 0.000 1.178) 1.552 16.107 ( 0.008 0.000 0.396) 0.396 16.289 ( 0.104 0.000 1.728) 1.731 16.339 ( -0.154 0.000 2.340) 2.345 16.681 ( -1.396 0.000 0.093) 1.399 16.717 ( 0.261 0.000 -0.576) 0.632 16.809 ( 0.213 0.000 4.524) 4.529 16.970 ( 0.814 0.000 -0.624) 1.025 17.113 ( -1.919 0.000 1.418) 2.386 17.164 ( -1.966 0.000 0.025) 1.966 17.192 ( 0.331 0.000 -0.413) 0.529 17.246 ( 1.920 0.000 0.174) 1.928 18.267 ( -1.061 0.000 1.313) 1.688 18.399 ( 2.954 0.000 -2.709) 4.008 18.561 ( -2.549 0.000 1.692) 3.059 18.573 ( 0.383 0.000 0.226) 0.445 18.761 ( -4.367 0.000 -0.397) 4.385 18.783 ( 0.412 0.000 -0.304) 0.512 18.848 ( -0.567 0.000 -0.831) 1.006 18.875 ( 3.639 0.000 -1.406) 3.901 27.735 ( 0.239 0.000 0.551) 0.600 27.738 ( -0.451 0.000 1.081) 1.172 27.960 ( -0.322 0.000 0.706) 0.775 28.001 ( 0.294 0.000 -0.070) 0.303 28.078 ( -0.368 0.000 1.357) 1.406 28.100 ( -0.035 0.000 -0.383) 0.384 28.159 ( -0.127 0.000 -1.566) 1.571 28.211 ( 0.583 0.000 -1.570) 1.675 28.752 ( -0.030 0.000 0.637) 0.637 28.762 ( 0.057 0.000 0.361) 0.366 29.167 ( -0.113 0.000 0.900) 0.907 29.240 ( -0.014 0.000 -2.084) 2.084 29.350 ( 2.763 0.000 -0.304) 2.780 29.431 ( -0.041 0.000 -0.449) 0.450 29.467 ( 2.526 0.000 3.472) 4.294 29.615 ( -1.341 0.000 -0.438) 1.411 29.957 ( -0.490 0.000 0.829) 0.963 29.968 ( 0.553 0.000 0.415) 0.691 30.084 ( 5.844 0.000 14.481) 15.616 30.495 ( 0.115 0.000 3.743) 3.744 30.517 ( -1.319 0.000 -1.657) 2.118 30.931 ( 3.455 0.000 -4.246) 5.474 30.992 ( 3.686 0.000 1.628) 4.030 31.064 ( 0.753 0.000 1.457) 1.640 31.299 ( -2.518 0.000 -4.742) 5.369 31.644 ( 0.223 0.000 -11.657) 11.659 31.774 ( -7.456 0.000 3.647) 8.300 31.928 ( -3.301 0.000 -0.235) 3.309 32.520 ( 0.127 0.000 5.162) 5.164 32.872 ( 1.952 0.000 2.999) 3.578 33.057 ( 7.094 0.000 -10.126) 12.364 33.227 ( -8.527 0.000 -3.317) 9.149 ======================= Grid point 39 (17/48) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -12.815 0.000 12.324) 17.779 1.184 ( -19.747 0.000 6.795) 20.883 1.348 ( -1.097 0.000 -12.583) 12.630 1.421 ( 1.884 0.000 11.608) 11.760 1.689 ( 4.643 0.000 -4.583) 6.524 1.758 ( -4.792 0.000 1.569) 5.043 1.785 ( -7.564 0.000 2.448) 7.951 1.876 ( -3.816 0.000 4.470) 5.877 1.937 ( -3.962 0.000 -11.255) 11.932 2.074 ( -3.421 0.000 -2.860) 4.459 2.077 ( 7.735 0.000 0.220) 7.738 2.096 ( 14.017 0.000 -2.607) 14.257 2.155 ( 3.015 0.000 -5.854) 6.585 2.156 ( -14.247 0.000 3.864) 14.762 2.343 ( -2.814 0.000 -4.925) 5.672 2.382 ( -1.463 0.000 5.764) 5.947 2.473 ( 0.085 0.000 2.949) 2.951 2.575 ( 1.459 0.000 -3.978) 4.238 2.667 ( 0.913 0.000 -0.694) 1.147 2.869 ( 2.834 0.000 1.373) 3.150 2.932 ( 7.876 0.000 4.890) 9.270 2.949 ( -3.484 0.000 -0.386) 3.506 3.103 ( -0.285 0.000 4.472) 4.482 3.177 ( 2.372 0.000 1.181) 2.650 3.317 ( 0.620 0.000 0.391) 0.733 3.339 ( 5.114 0.000 -4.657) 6.916 3.402 ( -1.917 0.000 2.610) 3.238 3.471 ( 5.566 0.000 0.476) 5.586 3.476 ( 4.578 0.000 3.841) 5.976 3.525 ( 2.910 0.000 -6.288) 6.929 3.526 ( 3.592 0.000 3.002) 4.681 3.717 ( -0.163 0.000 5.473) 5.476 3.749 ( 5.058 0.000 0.878) 5.134 3.858 ( 1.770 0.000 -1.663) 2.429 3.884 ( -3.534 0.000 -2.153) 4.138 4.047 ( -3.739 0.000 2.149) 4.313 4.176 ( -5.566 0.000 2.760) 6.212 4.189 ( -2.646 0.000 -1.847) 3.227 4.235 ( 5.834 0.000 3.922) 7.030 4.317 ( 6.153 0.000 1.784) 6.406 4.381 ( -1.294 0.000 -1.743) 2.171 4.404 ( 1.740 0.000 3.649) 4.043 4.427 ( 0.290 0.000 3.920) 3.931 4.523 ( 3.566 0.000 -0.542) 3.607 4.553 ( -2.591 0.000 -0.227) 2.601 4.754 ( -0.314 0.000 6.811) 6.818 4.804 ( 0.276 0.000 1.768) 1.789 4.953 ( 2.663 0.000 -2.194) 3.451 5.003 ( -1.917 0.000 -4.782) 5.152 5.127 ( -1.337 0.000 -5.934) 6.083 5.133 ( -0.933 0.000 3.499) 3.621 5.330 ( -0.065 0.000 -4.873) 4.873 5.381 ( 4.425 0.000 7.690) 8.872 5.589 ( 0.591 0.000 -4.195) 4.236 5.868 ( -0.560 0.000 -1.722) 1.811 5.931 ( -1.280 0.000 3.062) 3.319 6.289 ( -2.296 0.000 -3.048) 3.816 6.365 ( -0.824 0.000 -1.115) 1.387 6.522 ( -0.524 0.000 -1.376) 1.472 6.567 ( -3.568 0.000 -5.684) 6.711 7.100 ( -3.489 0.000 -2.074) 4.059 7.110 ( -0.328 0.000 0.016) 0.328 7.168 ( -1.855 0.000 5.075) 5.404 7.773 ( -9.274 0.000 -12.847) 15.845 7.855 ( 1.859 0.000 1.691) 2.513 7.995 ( -0.935 0.000 0.974) 1.350 8.151 ( 0.297 0.000 -2.069) 2.090 8.313 ( -5.166 0.000 -3.186) 6.070 8.394 ( 0.415 0.000 2.469) 2.504 8.601 ( 4.036 0.000 -3.108) 5.094 8.762 ( 2.684 0.000 2.333) 3.556 8.812 ( 1.588 0.000 -0.355) 1.627 9.149 ( -0.800 0.000 -0.464) 0.924 9.242 ( -0.297 0.000 -1.918) 1.941 9.301 ( -1.184 0.000 3.096) 3.315 9.508 ( 6.110 0.000 5.006) 7.899 10.503 ( 0.492 0.000 0.556) 0.743 10.540 ( -0.258 0.000 -0.335) 0.423 10.642 ( 0.479 0.000 0.410) 0.631 10.720 ( 0.139 0.000 0.803) 0.815 10.825 ( 0.067 0.000 -0.077) 0.102 10.878 ( -0.556 0.000 -3.057) 3.107 11.098 ( -3.072 0.000 -0.376) 3.095 11.104 ( -0.367 0.000 1.435) 1.481 11.443 ( -0.669 0.000 1.314) 1.475 11.601 ( 0.414 0.000 -1.606) 1.658 11.609 ( 3.323 0.000 2.555) 4.191 11.719 ( 0.398 0.000 -1.489) 1.541 12.487 ( 0.283 0.000 0.568) 0.635 12.579 ( -0.453 0.000 1.533) 1.599 12.611 ( 0.170 0.000 -3.115) 3.119 12.732 ( -0.135 0.000 -1.429) 1.436 14.156 ( -0.554 0.000 2.021) 2.095 14.192 ( -0.273 0.000 -1.222) 1.252 14.380 ( 0.994 0.000 -2.351) 2.553 14.481 ( 2.497 0.000 -2.270) 3.375 14.615 ( -1.352 0.000 -0.677) 1.512 14.626 ( -1.798 0.000 0.500) 1.867 14.735 ( -1.027 0.000 1.992) 2.241 14.775 ( -1.725 0.000 0.195) 1.736 15.516 ( 0.693 0.000 -1.972) 2.090 15.561 ( 2.179 0.000 -0.916) 2.364 15.629 ( -1.030 0.000 -0.192) 1.047 15.638 ( -0.433 0.000 0.767) 0.881 16.101 ( -0.570 0.000 0.216) 0.610 16.109 ( 1.081 0.000 0.907) 1.411 16.281 ( -0.982 0.000 1.789) 2.041 16.333 ( -0.569 0.000 2.176) 2.249 16.647 ( -2.067 0.000 -0.375) 2.101 16.715 ( -0.405 0.000 -0.481) 0.629 16.807 ( -0.667 0.000 3.993) 4.048 17.001 ( 2.256 0.000 0.019) 2.256 17.103 ( 1.226 0.000 3.366) 3.583 17.126 ( -1.934 0.000 -1.338) 2.351 17.199 ( 0.384 0.000 -0.898) 0.977 17.279 ( 1.360 0.000 1.811) 2.265 18.273 ( 1.559 0.000 0.529) 1.646 18.445 ( 0.369 0.000 -0.448) 0.581 18.516 ( -0.986 0.000 -1.572) 1.855 18.572 ( -0.247 0.000 -0.147) 0.287 18.671 ( -4.810 0.000 -1.205) 4.958 18.774 ( -1.489 0.000 -0.085) 1.492 18.848 ( 0.634 0.000 -0.702) 0.946 18.945 ( 3.608 0.000 0.072) 3.609 27.734 ( 0.081 0.000 1.027) 1.031 27.736 ( -0.126 0.000 0.625) 0.637 27.956 ( -0.133 0.000 0.538) 0.554 28.013 ( 0.896 0.000 0.049) 0.897 28.074 ( -0.145 0.000 1.194) 1.203 28.094 ( -0.571 0.000 -0.365) 0.678 28.155 ( -0.153 0.000 -1.558) 1.566 28.223 ( 0.644 0.000 -1.292) 1.443 28.753 ( 0.092 0.000 0.739) 0.745 28.764 ( 0.137 0.000 0.434) 0.455 29.193 ( 2.609 0.000 0.918) 2.766 29.256 ( 1.724 0.000 -1.605) 2.355 29.395 ( 1.968 0.000 -0.189) 1.977 29.444 ( 1.116 0.000 0.050) 1.117 29.534 ( 4.131 0.000 5.246) 6.677 29.587 ( -1.256 0.000 -1.853) 2.239 29.934 ( -1.904 0.000 1.705) 2.555 30.023 ( 5.191 0.000 0.186) 5.195 30.245 ( 9.993 0.000 14.775) 17.837 30.494 ( -1.020 0.000 -2.949) 3.121 30.502 ( 0.470 0.000 3.328) 3.361 30.991 ( -2.595 0.000 7.159) 7.615 31.009 ( 3.625 0.000 -4.820) 6.031 31.125 ( 5.550 0.000 4.247) 6.988 31.306 ( 1.638 0.000 -8.726) 8.878 31.568 ( -6.505 0.000 -13.442) 14.934 31.697 ( 0.135 0.000 1.822) 1.827 31.881 ( -1.812 0.000 2.370) 2.983 32.516 ( -0.471 0.000 3.743) 3.772 32.867 ( -2.842 0.000 3.850) 4.786 33.005 ( -12.341 0.000 -2.537) 12.599 33.148 ( 0.745 0.000 -13.316) 13.337 ======================= Grid point 40 (18/48) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -12.639 0.000 17.065) 21.236 0.789 ( -20.213 0.000 15.155) 25.264 1.327 ( -31.211 0.000 27.962) 41.904 1.377 ( 3.679 0.000 -11.116) 11.709 1.472 ( 2.220 0.000 5.440) 5.875 1.685 ( -1.228 0.000 -1.357) 1.830 1.741 ( -1.715 0.000 4.119) 4.462 1.815 ( 5.867 0.000 -1.416) 6.035 1.866 ( -1.438 0.000 -2.539) 2.918 1.928 ( -4.874 0.000 2.534) 5.494 2.081 ( -0.038 0.000 -2.345) 2.345 2.165 ( -2.553 0.000 -2.493) 3.569 2.244 ( 4.028 0.000 -5.097) 6.497 2.285 ( 0.888 0.000 -2.877) 3.011 2.433 ( 0.030 0.000 0.352) 0.353 2.470 ( 15.237 0.000 -6.206) 16.452 2.534 ( 9.903 0.000 0.665) 9.926 2.643 ( 5.949 0.000 1.098) 6.050 2.775 ( 9.937 0.000 -3.235) 10.450 2.895 ( -2.626 0.000 2.290) 3.484 2.933 ( 1.147 0.000 -0.088) 1.150 3.016 ( -6.801 0.000 2.921) 7.402 3.056 ( 5.709 0.000 5.675) 8.050 3.217 ( -9.218 0.000 1.796) 9.392 3.283 ( 2.418 0.000 -0.361) 2.445 3.316 ( -0.637 0.000 1.690) 1.806 3.350 ( 1.536 0.000 -0.775) 1.721 3.518 ( 0.579 0.000 -2.563) 2.627 3.544 ( -0.330 0.000 -7.780) 7.787 3.660 ( 8.620 0.000 6.786) 10.971 3.668 ( 3.062 0.000 7.674) 8.262 3.702 ( 1.285 0.000 2.252) 2.593 3.804 ( -4.284 0.000 -4.292) 6.064 3.830 ( -3.606 0.000 -1.728) 3.999 3.914 ( 8.270 0.000 -2.432) 8.620 4.013 ( 2.289 0.000 3.388) 4.089 4.069 ( -5.185 0.000 2.450) 5.735 4.116 ( -3.532 0.000 -3.386) 4.893 4.269 ( -5.060 0.000 0.982) 5.154 4.370 ( 0.317 0.000 2.757) 2.775 4.390 ( 2.062 0.000 4.616) 5.056 4.454 ( 1.285 0.000 -0.017) 1.285 4.482 ( 3.588 0.000 -0.772) 3.670 4.533 ( 2.198 0.000 2.967) 3.693 4.660 ( 9.886 0.000 -3.496) 10.486 4.734 ( -7.401 0.000 4.446) 8.634 4.814 ( 5.908 0.000 9.308) 11.024 4.967 ( 0.033 0.000 -4.149) 4.149 4.968 ( -0.454 0.000 -6.071) 6.088 5.092 ( -2.372 0.000 3.648) 4.352 5.101 ( -1.069 0.000 -7.241) 7.319 5.335 ( 0.856 0.000 -3.981) 4.072 5.509 ( 9.004 0.000 10.983) 14.202 5.591 ( -0.152 0.000 -1.706) 1.712 5.854 ( -0.584 0.000 -0.632) 0.860 5.927 ( 0.612 0.000 3.797) 3.846 6.248 ( -1.460 0.000 -3.899) 4.164 6.333 ( -3.157 0.000 -3.755) 4.906 6.456 ( -8.288 0.000 -7.946) 11.482 6.473 ( -3.688 0.000 -1.802) 4.104 7.031 ( -2.472 0.000 -0.027) 2.473 7.117 ( 1.261 0.000 -0.678) 1.432 7.136 ( -1.773 0.000 2.996) 3.481 7.531 ( -15.097 0.000 -12.266) 19.452 7.899 ( 2.173 0.000 1.296) 2.530 7.992 ( 0.583 0.000 0.389) 0.701 8.128 ( -3.523 0.000 -1.708) 3.915 8.199 ( -4.763 0.000 -2.049) 5.185 8.401 ( 0.123 0.000 2.068) 2.072 8.647 ( 1.030 0.000 -4.986) 5.091 8.820 ( 2.009 0.000 2.218) 2.993 8.845 ( 1.536 0.000 -0.011) 1.536 9.140 ( -0.176 0.000 0.065) 0.188 9.238 ( 0.033 0.000 -1.480) 1.481 9.294 ( 0.406 0.000 3.552) 3.575 9.668 ( 9.601 0.000 3.767) 10.314 10.507 ( 0.038 0.000 0.761) 0.762 10.535 ( -0.165 0.000 -0.171) 0.238 10.674 ( 2.357 0.000 -0.465) 2.402 10.725 ( 0.503 0.000 0.759) 0.910 10.802 ( -2.261 0.000 -0.117) 2.264 10.864 ( -0.518 0.000 -2.862) 2.908 11.052 ( -1.168 0.000 0.674) 1.348 11.092 ( -0.814 0.000 1.296) 1.530 11.432 ( -0.440 0.000 1.462) 1.527 11.601 ( -0.031 0.000 -1.813) 1.813 11.698 ( 4.566 0.000 1.500) 4.806 11.729 ( 0.621 0.000 -1.390) 1.522 12.493 ( 0.264 0.000 0.947) 0.984 12.567 ( -0.783 0.000 1.847) 2.006 12.613 ( 0.417 0.000 -2.251) 2.289 12.727 ( -0.435 0.000 -1.591) 1.649 14.145 ( -0.622 0.000 1.717) 1.826 14.193 ( 0.451 0.000 -1.507) 1.573 14.408 ( 1.819 0.000 -2.480) 3.075 14.538 ( 2.927 0.000 -1.961) 3.524 14.566 ( -3.626 0.000 -2.254) 4.270 14.587 ( -1.714 0.000 0.960) 1.965 14.699 ( -2.546 0.000 1.938) 3.200 14.732 ( -2.433 0.000 -0.078) 2.434 15.537 ( 1.303 0.000 -1.478) 1.970 15.594 ( 0.770 0.000 -1.191) 1.418 15.613 ( -0.436 0.000 0.274) 0.515 15.634 ( -0.015 0.000 0.260) 0.260 16.089 ( -0.571 0.000 0.053) 0.573 16.124 ( -0.220 0.000 -1.219) 1.239 16.258 ( -1.245 0.000 1.612) 2.037 16.315 ( -1.566 0.000 0.806) 1.761 16.612 ( -0.650 0.000 1.538) 1.670 16.705 ( -0.558 0.000 -0.659) 0.863 16.792 ( -0.957 0.000 3.128) 3.271 17.052 ( 2.648 0.000 0.092) 2.650 17.087 ( -1.925 0.000 -1.884) 2.693 17.193 ( 8.748 0.000 7.307) 11.398 17.205 ( 0.364 0.000 -0.610) 0.711 17.297 ( 0.233 0.000 3.317) 3.325 18.315 ( 2.327 0.000 0.008) 2.327 18.390 ( -4.845 0.000 -1.763) 5.155 18.494 ( -4.516 0.000 -2.273) 5.056 18.576 ( 1.030 0.000 -1.834) 2.103 18.606 ( -0.067 0.000 0.297) 0.305 18.723 ( -3.550 0.000 0.705) 3.619 18.870 ( 1.410 0.000 -0.018) 1.410 19.011 ( 2.896 0.000 -0.175) 2.902 27.731 ( -0.356 0.000 0.455) 0.577 27.747 ( 1.318 0.000 0.988) 1.647 27.956 ( 0.145 0.000 0.650) 0.666 28.032 ( 0.912 0.000 -0.085) 0.916 28.073 ( -0.296 0.000 0.828) 0.880 28.081 ( -0.378 0.000 0.257) 0.457 28.153 ( 0.043 0.000 -1.552) 1.553 28.231 ( 0.127 0.000 -1.252) 1.259 28.756 ( 0.140 0.000 0.978) 0.988 28.767 ( 0.141 0.000 0.519) 0.538 29.254 ( 3.047 0.000 1.058) 3.225 29.295 ( 1.969 0.000 -0.919) 2.173 29.432 ( 1.760 0.000 -0.366) 1.798 29.461 ( 0.437 0.000 1.212) 1.289 29.569 ( -0.448 0.000 -2.366) 2.408 29.633 ( 5.744 0.000 6.472) 8.653 29.883 ( -3.785 0.000 1.673) 4.138 30.166 ( 8.823 0.000 -0.759) 8.855 30.428 ( 4.896 0.000 4.597) 6.716 30.468 ( -1.487 0.000 -3.668) 3.957 30.520 ( 0.872 0.000 1.299) 1.564 30.902 ( -14.194 0.000 -4.030) 14.755 31.040 ( 0.053 0.000 -6.623) 6.623 31.251 ( 4.963 0.000 5.496) 7.405 31.396 ( 17.506 0.000 10.817) 20.578 31.412 ( -7.571 0.000 -13.012) 15.054 31.812 ( 12.899 0.000 4.125) 13.543 31.875 ( 1.836 0.000 5.967) 6.243 32.515 ( 0.225 0.000 2.102) 2.114 32.744 ( -13.316 0.000 -0.776) 13.339 32.773 ( -6.456 0.000 2.396) 6.886 33.050 ( -11.760 0.000 -17.560) 21.134 ======================= Grid point 41 (19/48) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -0.471 20.574 9.287) 22.578 0.820 ( 2.609 21.413 13.987) 25.709 1.335 ( -2.273 21.618 19.379) 29.122 1.472 ( 2.181 4.901 -4.321) 6.888 1.591 ( 0.167 5.050 2.146) 5.489 1.713 ( 2.705 -1.006 3.942) 4.886 1.724 ( 1.271 0.695 1.038) 1.782 1.838 ( 1.267 -3.871 1.188) 4.243 1.873 ( -0.362 -2.410 -2.178) 3.268 1.939 ( -2.885 -0.343 9.449) 9.886 1.989 ( -0.566 5.595 -1.261) 5.763 2.152 ( 3.976 -0.188 -2.107) 4.504 2.222 ( 0.465 -1.139 -0.897) 1.523 2.355 ( 1.453 -0.358 -4.251) 4.507 2.472 ( 1.880 0.856 -2.323) 3.109 2.547 ( 1.256 -3.738 -1.357) 4.170 2.614 ( 3.928 -4.942 0.358) 6.324 2.706 ( -8.270 -4.073 1.664) 9.368 2.788 ( 6.245 -8.465 -6.702) 12.473 2.839 ( -0.455 -3.121 -2.782) 4.205 2.866 ( -3.004 -1.795 4.825) 5.960 2.944 ( -1.256 2.190 1.428) 2.901 3.080 ( -0.273 -1.387 2.356) 2.747 3.154 ( 1.182 -1.699 5.910) 6.262 3.207 ( 0.147 -7.194 -0.828) 7.243 3.300 ( -1.569 -2.483 2.195) 3.667 3.413 ( -1.909 2.432 -2.164) 3.774 3.558 ( 1.502 1.051 7.706) 7.921 3.604 ( 3.489 3.036 -1.935) 5.014 3.635 ( -2.262 2.540 0.428) 3.428 3.742 ( -1.487 6.396 0.133) 6.568 3.776 ( -3.199 5.718 -8.552) 10.774 3.878 ( 0.871 3.519 4.449) 5.739 3.884 ( -1.649 4.576 -0.611) 4.902 3.969 ( -0.407 0.465 -0.216) 0.655 4.009 ( -1.808 0.072 -0.154) 1.816 4.122 ( -1.129 7.210 -4.727) 8.695 4.192 ( -0.850 2.459 2.318) 3.485 4.206 ( 6.562 3.795 2.341) 7.933 4.361 ( 0.122 -1.685 -0.305) 1.716 4.412 ( -0.556 -0.916 2.897) 3.089 4.475 ( 0.639 2.801 1.939) 3.466 4.489 ( -1.762 -2.839 1.478) 3.653 4.513 ( -1.954 -1.466 2.775) 3.697 4.667 ( 1.067 -0.252 5.118) 5.234 4.714 ( -0.811 -6.553 2.276) 6.984 4.875 ( -1.239 -9.129 -1.431) 9.323 4.882 ( 2.840 1.961 -4.820) 5.928 4.952 ( 0.255 -3.344 -4.265) 5.426 5.068 ( -2.437 4.376 -5.394) 7.361 5.179 ( 1.421 4.066 -4.904) 6.527 5.294 ( -1.620 -4.838 0.711) 5.151 5.432 ( -3.326 -7.757 1.313) 8.542 5.671 ( 3.649 -6.454 -6.531) 9.880 5.887 ( 1.432 0.282 2.999) 3.335 5.941 ( 1.394 -1.044 4.239) 4.583 6.229 ( 0.368 2.411 -2.314) 3.362 6.331 ( 0.478 0.950 -2.359) 2.587 6.435 ( 0.547 3.658 -4.231) 5.620 6.439 ( 3.525 4.346 -3.927) 6.837 7.037 ( -0.712 1.558 1.347) 2.179 7.122 ( -2.168 1.792 -0.410) 2.842 7.150 ( 1.994 -0.206 1.050) 2.263 7.293 ( 1.672 -1.796 -1.803) 3.045 7.951 ( 0.759 1.716 1.163) 2.207 8.062 ( -1.616 1.660 -0.696) 2.419 8.092 ( 2.661 2.462 -3.690) 5.173 8.147 ( -0.803 0.131 -1.676) 1.863 8.457 ( 0.301 4.914 -0.023) 4.923 8.629 ( -0.712 -1.208 -3.286) 3.573 8.752 ( -1.646 -4.982 3.486) 6.299 8.834 ( 0.457 -3.187 0.037) 3.220 9.145 ( 0.289 0.478 0.369) 0.669 9.224 ( 0.760 -1.558 -0.184) 1.743 9.330 ( 0.778 0.893 3.760) 3.942 9.531 ( -5.011 -10.971 6.124) 13.527 10.465 ( 0.175 -3.022 -0.135) 3.030 10.485 ( -0.538 -3.026 -0.376) 3.097 10.721 ( -0.429 2.079 0.318) 2.146 10.785 ( 0.253 1.375 -0.906) 1.666 10.824 ( 0.767 3.363 -0.711) 3.522 10.878 ( -1.100 1.342 -2.224) 2.821 11.028 ( 0.890 -1.262 0.851) 1.763 11.066 ( 0.504 -2.367 0.478) 2.467 11.512 ( 1.388 4.434 -2.299) 5.184 11.602 ( 0.128 0.303 -1.672) 1.704 11.678 ( -3.427 -1.029 -1.076) 3.736 11.733 ( 0.648 -0.916 -1.411) 1.803 12.504 ( -0.201 0.725 0.919) 1.187 12.574 ( -0.699 0.547 -0.109) 0.894 12.623 ( -0.007 0.008 -1.397) 1.398 12.713 ( 1.104 -1.399 -1.490) 2.323 14.139 ( -0.463 0.531 0.870) 1.120 14.204 ( 1.079 -1.028 -0.331) 1.526 14.450 ( 1.996 0.533 -2.532) 3.268 14.465 ( -1.336 -0.121 -3.062) 3.343 14.577 ( 1.290 0.043 0.733) 1.484 14.597 ( 1.442 0.349 0.249) 1.505 14.675 ( -3.135 0.810 1.410) 3.531 14.696 ( -0.686 -0.190 0.277) 0.764 15.535 ( -0.741 -0.310 -0.446) 0.918 15.577 ( -0.475 -0.734 -1.777) 1.980 15.631 ( 0.251 1.213 -0.511) 1.341 15.656 ( 0.743 1.143 -0.781) 1.571 16.060 ( -2.293 -0.641 0.561) 2.446 16.076 ( 0.031 -0.690 0.541) 0.877 16.246 ( -0.193 0.405 1.127) 1.213 16.289 ( 0.626 -0.417 0.832) 1.121 16.629 ( 0.838 -0.241 1.266) 1.537 16.687 ( 0.248 -1.099 -0.907) 1.446 16.851 ( -0.217 4.948 1.319) 5.126 17.035 ( -1.396 -0.508 -1.983) 2.478 17.104 ( 2.341 -0.382 1.001) 2.575 17.184 ( 0.297 -2.053 0.425) 2.117 17.283 ( -0.218 -0.636 4.112) 4.166 17.306 ( 1.710 -3.522 6.684) 7.746 18.314 ( -0.292 -0.243 -0.247) 0.453 18.354 ( 1.828 -0.959 0.027) 2.065 18.439 ( -1.770 3.703 1.952) 4.545 18.652 ( 1.133 2.261 -0.935) 2.696 18.672 ( 0.833 1.885 0.448) 2.109 18.718 ( 0.077 3.991 -4.433) 5.965 18.861 ( -0.390 -2.133 0.619) 2.255 18.999 ( -0.853 -2.261 -0.554) 2.479 27.722 ( -0.178 -0.067 0.140) 0.236 27.765 ( 0.436 -0.055 -0.001) 0.440 27.898 ( 0.111 -4.348 0.807) 4.424 27.989 ( -0.065 -4.345 -0.980) 4.455 28.071 ( -0.138 0.421 0.333) 0.554 28.083 ( 0.293 -0.004 1.052) 1.092 28.153 ( 0.184 0.032 -1.395) 1.408 28.218 ( -0.400 -0.940 -1.434) 1.760 28.870 ( -0.163 9.751 1.172) 9.822 28.997 ( 3.069 11.937 -5.041) 13.317 29.320 ( -1.148 1.003 2.883) 3.261 29.346 ( 0.370 2.638 1.212) 2.927 29.460 ( -0.059 0.041 1.169) 1.171 29.490 ( 0.426 3.508 -0.591) 3.583 29.521 ( 0.744 -4.184 -0.204) 4.254 29.756 ( -1.964 -0.714 -1.599) 2.631 29.769 ( -10.021 6.280 3.339) 12.288 30.087 ( -13.481 -4.634 5.728) 15.363 30.289 ( -7.320 0.502 -2.914) 7.895 30.436 ( -0.260 -2.306 -1.797) 2.935 30.573 ( 5.512 3.835 3.203) 7.440 30.650 ( -1.726 8.480 2.330) 8.962 31.012 ( 0.160 -3.250 -1.901) 3.768 31.155 ( 6.815 -11.102 9.192) 15.943 31.185 ( -5.929 -1.298 -12.225) 13.649 31.629 ( 0.141 -10.829 -2.011) 11.015 32.034 ( 7.213 4.370 5.288) 9.954 32.288 ( 10.249 -6.198 4.347) 12.742 32.529 ( -2.664 -0.111 -2.606) 3.728 32.610 ( -2.640 -3.286 -1.781) 4.576 32.736 ( 9.459 2.524 -2.549) 10.116 32.748 ( -3.922 3.516 -4.761) 7.100 ======================= Grid point 42 (20/48) ======================= q-point: ( 0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 14.369 15.946 3.864) 21.810 0.972 ( 11.213 19.023 10.662) 24.521 1.434 ( 9.776 19.080 10.446) 23.848 1.519 ( 1.309 1.431 -3.357) 3.876 1.646 ( 4.128 2.941 0.572) 5.101 1.740 ( -0.598 2.221 3.419) 4.121 1.778 ( 2.745 0.085 2.387) 3.639 1.840 ( 3.230 -0.437 0.633) 3.320 1.886 ( 2.141 -0.762 0.260) 2.288 1.916 ( 1.183 -4.085 3.451) 5.476 2.015 ( 2.443 5.091 3.265) 6.523 2.201 ( -1.641 2.951 0.740) 3.457 2.244 ( 3.213 -3.164 -3.053) 5.446 2.282 ( -7.197 -2.072 1.732) 7.687 2.477 ( -10.581 -3.866 0.486) 11.275 2.505 ( -0.212 0.632 -4.092) 4.146 2.568 ( -0.714 1.943 1.252) 2.419 2.672 ( -0.415 -4.918 -3.279) 5.925 2.706 ( -4.324 -1.025 0.114) 4.445 2.855 ( -2.065 -5.044 5.510) 7.750 2.895 ( 4.977 -5.290 -7.360) 10.340 2.982 ( 1.828 3.770 0.051) 4.190 3.105 ( -2.776 -2.137 0.472) 3.535 3.156 ( -2.889 -5.786 5.737) 8.645 3.159 ( 1.121 -4.412 -0.487) 4.578 3.261 ( -1.522 -2.887 1.463) 3.576 3.351 ( -3.414 -0.330 1.446) 3.722 3.503 ( -3.581 5.880 2.978) 7.501 3.565 ( -6.096 0.481 -1.672) 6.339 3.595 ( -3.524 5.186 0.895) 6.334 3.716 ( -2.985 1.230 0.549) 3.275 3.769 ( -0.422 2.852 -3.239) 4.336 3.863 ( -2.730 6.363 1.165) 7.021 3.895 ( 3.057 3.232 -2.537) 5.121 3.970 ( 0.608 3.494 -0.876) 3.653 3.982 ( 0.868 -0.679 0.158) 1.113 4.096 ( 0.753 3.739 -1.827) 4.229 4.205 ( 1.557 1.967 1.956) 3.181 4.308 ( 1.118 2.174 2.478) 3.481 4.328 ( -2.057 -1.088 5.515) 5.986 4.370 ( -2.282 3.302 1.163) 4.179 4.416 ( 0.312 -1.595 2.838) 3.271 4.486 ( 0.011 -1.440 1.188) 1.867 4.585 ( 2.981 0.274 -2.141) 3.681 4.674 ( -0.783 -2.914 6.370) 7.048 4.703 ( 0.049 -2.834 3.500) 4.504 4.815 ( -5.425 -4.398 -0.795) 7.029 4.881 ( -4.659 -5.525 -0.276) 7.232 4.949 ( -0.347 0.291 -6.276) 6.292 5.011 ( 1.244 0.744 -4.576) 4.800 5.154 ( -3.182 4.179 -7.346) 9.031 5.278 ( -0.036 -4.531 2.268) 5.067 5.352 ( -3.540 -5.290 1.540) 6.549 5.669 ( -2.368 -0.974 -4.208) 4.926 5.850 ( -1.419 0.388 2.927) 3.275 5.974 ( 1.182 -1.247 2.518) 3.049 6.287 ( 3.373 1.767 -2.783) 4.716 6.338 ( 0.862 0.642 -1.788) 2.086 6.444 ( 1.729 3.858 -3.499) 5.488 6.601 ( 6.374 0.257 -4.136) 7.603 7.015 ( 1.220 0.194 1.028) 1.608 7.095 ( -0.166 1.336 0.303) 1.380 7.187 ( 1.481 1.077 1.386) 2.296 7.535 ( 14.858 -10.007 -6.940) 19.211 7.955 ( -0.722 1.586 1.694) 2.430 8.072 ( 1.490 1.663 -0.741) 2.353 8.119 ( 0.642 -1.357 -2.852) 3.223 8.191 ( 5.265 0.432 -5.736) 7.798 8.455 ( -0.433 5.039 -0.840) 5.127 8.597 ( -2.571 -1.109 -0.101) 2.801 8.722 ( -1.281 -3.788 2.302) 4.614 8.820 ( -1.757 -2.844 -0.025) 3.343 9.155 ( 0.721 0.357 0.242) 0.840 9.234 ( 0.137 -1.502 -0.689) 1.659 9.348 ( 0.611 0.052 4.779) 4.818 9.409 ( -5.395 -4.218 4.537) 8.215 10.463 ( -1.140 -2.998 0.131) 3.210 10.466 ( -0.385 -4.383 -0.008) 4.400 10.720 ( 0.350 2.226 0.226) 2.265 10.779 ( -0.260 2.237 -0.805) 2.392 10.814 ( -1.547 2.368 0.582) 2.888 10.893 ( 2.010 1.565 -3.145) 4.047 11.061 ( 1.782 -1.282 1.081) 2.447 11.081 ( 1.272 -0.708 0.100) 1.459 11.517 ( -0.931 4.717 -2.242) 5.305 11.597 ( -3.012 0.982 2.459) 4.011 11.607 ( 0.261 0.751 -1.952) 2.107 11.733 ( -0.438 -0.819 -1.258) 1.563 12.501 ( -0.151 0.848 0.664) 1.088 12.560 ( -0.317 0.119 0.869) 0.933 12.617 ( -0.280 0.614 -2.008) 2.118 12.736 ( 0.664 -2.048 -2.206) 3.083 14.134 ( 0.116 0.710 0.582) 0.926 14.216 ( 0.033 -1.406 0.473) 1.483 14.450 ( -0.660 0.090 -2.773) 2.852 14.468 ( -0.664 0.241 -2.585) 2.680 14.599 ( 0.575 0.385 0.034) 0.693 14.634 ( 2.227 0.583 0.091) 2.304 14.646 ( 0.655 -0.035 1.939) 2.047 14.719 ( 2.622 -0.555 0.149) 2.684 15.506 ( -1.321 0.378 -1.005) 1.703 15.562 ( -1.215 -0.407 -0.999) 1.625 15.642 ( 0.799 1.026 -0.327) 1.341 15.664 ( 0.230 1.136 -0.327) 1.204 16.041 ( 0.273 -0.487 0.765) 0.947 16.081 ( 0.381 -0.815 0.555) 1.057 16.258 ( 1.166 0.665 1.138) 1.760 16.311 ( 1.254 -0.330 1.403) 1.910 16.652 ( 1.273 -1.679 0.480) 2.161 16.693 ( 0.220 -1.508 -0.483) 1.599 16.850 ( 0.121 4.804 1.731) 5.108 17.010 ( -1.141 0.765 -1.543) 2.066 17.145 ( 1.503 -1.156 0.874) 2.088 17.180 ( -0.379 -0.969 -0.775) 1.297 17.250 ( -2.737 -0.265 3.002) 4.072 17.268 ( -4.400 -1.247 6.691) 8.104 18.318 ( -0.326 -0.959 -0.178) 1.028 18.409 ( -1.026 0.840 0.941) 1.626 18.432 ( 4.551 -2.278 -0.730) 5.142 18.660 ( -1.074 3.911 0.465) 4.082 18.671 ( 1.528 1.011 -0.096) 1.835 18.769 ( 3.509 0.575 -4.657) 5.859 18.830 ( -2.466 -2.456 0.528) 3.520 18.957 ( -2.777 -0.166 0.492) 2.825 27.721 ( 0.140 -0.014 0.080) 0.162 27.766 ( -0.326 -0.048 0.170) 0.371 27.900 ( -0.004 -4.439 0.991) 4.549 27.984 ( -0.325 -3.887 -0.908) 4.005 28.069 ( -0.028 -0.137 0.197) 0.242 28.085 ( -0.120 -0.134 1.260) 1.273 28.156 ( 0.158 -0.051 -1.334) 1.345 28.207 ( -0.577 -0.823 -1.708) 1.982 28.866 ( -0.200 9.457 0.997) 9.512 29.021 ( -1.988 14.237 -6.650) 15.839 29.253 ( -4.395 0.623 7.590) 8.792 29.343 ( -2.235 2.717 0.705) 3.588 29.359 ( -8.563 7.229 0.383) 11.213 29.453 ( -1.100 0.825 0.747) 1.565 29.478 ( -1.523 3.184 -0.835) 3.627 29.562 ( 1.468 -3.307 1.860) 4.068 29.876 ( 4.436 -1.469 8.056) 9.313 29.957 ( -2.801 -1.564 1.846) 3.701 30.174 ( -5.445 3.204 -1.130) 6.418 30.447 ( 1.106 -3.743 0.367) 3.920 30.629 ( -1.559 8.352 3.077) 9.036 30.721 ( 8.809 5.273 2.843) 10.653 30.965 ( -3.637 -0.903 -6.630) 7.616 31.108 ( -1.414 -1.412 -4.286) 4.729 31.322 ( 9.402 -8.964 0.128) 12.992 31.539 ( -8.350 -10.578 -3.791) 14.000 32.072 ( -4.219 1.370 4.317) 6.189 32.188 ( -11.252 -1.733 4.574) 12.269 32.474 ( -0.203 0.967 0.845) 1.300 32.633 ( 5.986 -2.797 -1.768) 6.840 32.758 ( 6.787 3.953 -2.773) 8.329 33.142 ( 14.888 -9.712 -9.186) 20.009 ======================= Grid point 43 (21/48) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 13.603 9.528 1.882) 16.714 1.200 ( 9.956 10.090 9.417) 17.018 1.465 ( -4.871 1.974 3.056) 6.079 1.595 ( -1.983 3.576 -1.894) 4.506 1.645 ( 5.838 7.137 -5.539) 10.756 1.751 ( -0.914 2.377 -0.589) 2.614 1.813 ( 1.216 -2.479 -5.041) 5.748 1.859 ( -0.918 -1.650 -3.260) 3.768 1.932 ( -0.095 -4.724 -1.013) 4.832 2.037 ( -7.649 0.738 4.375) 8.843 2.084 ( 2.178 3.469 0.979) 4.211 2.135 ( 7.561 0.344 -0.785) 7.609 2.251 ( 6.450 3.700 4.545) 8.714 2.308 ( -0.270 -5.363 0.198) 5.373 2.330 ( 0.666 3.097 1.321) 3.432 2.423 ( -7.442 1.101 6.682) 10.062 2.483 ( -1.709 4.961 -4.598) 6.977 2.657 ( -1.398 3.807 2.483) 4.755 2.708 ( -2.245 3.940 -5.048) 6.786 2.809 ( 2.748 -5.300 0.944) 6.044 2.962 ( -3.115 -2.331 2.011) 4.379 2.987 ( 2.943 -1.654 -6.175) 7.037 3.063 ( -1.470 -1.636 1.084) 2.452 3.083 ( 1.007 -3.983 3.156) 5.181 3.211 ( 0.417 -1.570 0.113) 1.628 3.263 ( 1.054 -5.642 1.988) 6.074 3.309 ( -0.162 1.615 4.122) 4.430 3.409 ( -9.299 1.342 -0.284) 9.399 3.450 ( -2.821 5.666 -4.070) 7.525 3.525 ( -3.915 0.780 1.871) 4.408 3.674 ( 1.833 2.473 1.303) 3.343 3.738 ( -2.971 1.616 4.100) 5.315 3.789 ( -6.284 4.467 -3.376) 8.417 3.867 ( -1.512 -0.208 -0.568) 1.629 4.018 ( 2.152 -0.644 -0.366) 2.276 4.035 ( 1.070 2.502 1.825) 3.276 4.136 ( 3.383 1.672 2.783) 4.689 4.193 ( -3.066 -0.425 3.351) 4.562 4.284 ( -0.508 -0.725 1.251) 1.532 4.333 ( -1.990 2.086 1.584) 3.289 4.380 ( 3.517 1.765 4.684) 6.118 4.412 ( -0.899 0.090 1.133) 1.449 4.487 ( -0.792 -0.789 5.188) 5.307 4.561 ( -9.578 0.406 0.588) 9.604 4.599 ( -0.458 -0.672 -2.108) 2.260 4.708 ( 0.721 -2.656 0.385) 2.779 4.773 ( 2.497 1.203 6.983) 7.512 4.810 ( -0.890 -7.391 -2.372) 7.813 4.977 ( 2.415 0.195 -6.554) 6.988 5.076 ( 2.559 -1.468 -4.056) 5.016 5.084 ( -1.291 1.474 -4.519) 4.925 5.284 ( 0.067 -2.523 2.851) 3.807 5.308 ( -0.900 -4.257 -1.220) 4.519 5.614 ( -2.630 0.460 -3.976) 4.789 5.844 ( 0.173 -2.449 -0.009) 2.455 5.975 ( -1.132 -2.021 1.960) 3.034 6.354 ( 1.311 3.091 -0.664) 3.423 6.363 ( 3.716 1.733 -2.434) 4.769 6.476 ( 1.280 3.939 -3.178) 5.221 6.655 ( 0.352 -0.094 -2.194) 2.224 7.079 ( 3.962 -0.804 -0.476) 4.071 7.116 ( 2.012 1.832 1.856) 3.293 7.207 ( 0.458 2.082 2.076) 2.976 7.728 ( 5.784 -10.910 -5.965) 13.714 7.918 ( -2.904 1.872 2.441) 4.230 8.079 ( -0.744 0.268 -1.711) 1.885 8.140 ( 1.362 0.978 -2.029) 2.632 8.285 ( 3.826 -3.460 -6.279) 8.127 8.441 ( -0.921 4.236 -0.817) 4.411 8.539 ( -2.755 -0.804 2.716) 3.951 8.705 ( -0.630 -3.232 0.817) 3.392 8.781 ( -1.747 -2.899 -0.396) 3.408 9.169 ( 0.529 0.293 -0.335) 0.691 9.231 ( -0.071 -1.198 -1.950) 2.290 9.353 ( -0.206 0.199 4.189) 4.199 9.371 ( 0.580 -0.311 2.688) 2.767 10.441 ( -0.757 -3.909 0.235) 3.988 10.459 ( -0.524 -5.110 0.076) 5.137 10.731 ( 0.543 2.219 0.455) 2.330 10.764 ( -1.401 3.353 0.819) 3.725 10.804 ( 0.737 1.916 -0.845) 2.220 10.924 ( 1.256 2.444 -3.480) 4.434 11.080 ( 0.484 -0.575 1.271) 1.476 11.121 ( 2.147 -0.446 0.076) 2.195 11.494 ( -0.887 3.657 -0.023) 3.763 11.566 ( -0.930 0.457 2.123) 2.362 11.608 ( -0.037 0.444 -1.757) 1.813 11.719 ( -0.821 -1.059 -1.332) 1.889 12.498 ( -0.136 1.131 0.415) 1.212 12.564 ( 0.500 -0.427 1.013) 1.208 12.615 ( 0.180 1.054 -2.680) 2.886 12.735 ( -0.391 -1.642 -1.755) 2.435 14.145 ( 0.855 0.525 0.877) 1.332 14.209 ( -0.600 -1.027 0.295) 1.225 14.420 ( -2.175 -0.032 -1.096) 2.436 14.444 ( -0.727 -0.177 -3.676) 3.752 14.604 ( -0.015 -0.314 1.510) 1.543 14.665 ( 1.116 0.273 -1.047) 1.555 14.691 ( 2.837 1.006 1.835) 3.526 14.771 ( 2.270 -0.214 0.186) 2.287 15.495 ( 0.203 -0.081 -1.509) 1.524 15.533 ( -1.509 -0.590 -0.808) 1.811 15.654 ( 0.403 0.653 -0.558) 0.949 15.664 ( -0.277 0.761 0.135) 0.821 16.057 ( 1.055 -0.841 0.726) 1.532 16.090 ( 0.412 -1.083 0.615) 1.312 16.283 ( 1.133 0.829 1.418) 1.995 16.332 ( 0.672 -0.147 2.062) 2.173 16.676 ( 1.123 -1.555 0.479) 1.977 16.692 ( -0.332 -1.189 0.261) 1.262 16.858 ( 0.428 4.553 2.541) 5.232 16.988 ( -0.914 1.308 -0.989) 1.877 17.145 ( -1.479 -1.082 0.482) 1.895 17.186 ( 0.215 -0.925 0.204) 0.971 17.199 ( -2.276 -0.774 0.928) 2.576 17.207 ( -1.041 -0.028 3.151) 3.319 18.307 ( -1.011 0.190 0.945) 1.397 18.381 ( -0.643 1.607 -1.295) 2.162 18.514 ( 3.344 -3.196 0.372) 4.641 18.632 ( -1.860 3.040 1.910) 4.043 18.712 ( 1.748 -1.597 -0.740) 2.480 18.774 ( -1.704 -3.670 -1.003) 4.169 18.835 ( 2.387 1.131 -2.712) 3.786 18.902 ( -2.805 0.276 0.815) 2.934 27.727 ( 0.347 0.019 0.210) 0.406 27.758 ( -0.425 0.801 0.385) 0.985 27.899 ( -0.150 -4.497 0.986) 4.607 27.977 ( -0.251 -3.459 -0.741) 3.546 28.070 ( 0.136 -0.842 0.153) 0.866 28.081 ( -0.293 -0.253 1.257) 1.315 28.158 ( 0.096 -0.207 -1.372) 1.391 28.197 ( -0.245 -0.896 -1.766) 1.995 28.865 ( -0.013 9.269 0.745) 9.299 28.944 ( -3.409 13.906 -0.849) 14.343 29.229 ( -1.589 1.592 1.383) 2.640 29.263 ( -0.084 1.739 -0.793) 1.913 29.334 ( -0.217 3.054 -0.017) 3.061 29.437 ( -1.264 1.408 0.325) 1.920 29.456 ( 0.162 0.476 0.774) 0.923 29.579 ( -0.014 -4.147 1.881) 4.554 29.913 ( -0.492 -2.239 3.201) 3.937 29.966 ( 3.483 -2.040 8.730) 9.618 30.091 ( -2.964 5.796 -0.240) 6.514 30.461 ( 0.194 -4.572 0.102) 4.577 30.595 ( -1.705 7.239 2.848) 7.964 30.887 ( 4.720 2.443 -1.981) 5.672 30.924 ( 2.802 1.961 -3.972) 5.242 31.081 ( -1.281 -0.072 0.502) 1.378 31.369 ( -7.074 -6.260 -4.633) 10.521 31.504 ( 8.319 -6.123 -5.248) 11.586 31.917 ( -10.042 -2.134 4.905) 11.377 32.000 ( -8.164 -1.513 -0.586) 8.324 32.511 ( 2.310 1.568 4.829) 5.578 32.751 ( 5.382 -3.920 0.689) 6.694 32.923 ( 9.031 3.252 -6.264) 11.462 33.267 ( 0.287 -6.565 -6.053) 8.934 ======================= Grid point 44 (22/48) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -8.705 5.575 5.821) 11.863 1.349 ( 5.542 3.999 0.712) 6.871 1.404 ( -2.990 4.667 5.490) 7.801 1.550 ( -2.792 -0.608 -7.802) 8.309 1.640 ( -4.603 -1.468 -6.716) 8.273 1.773 ( 3.266 3.105 -10.303) 11.245 1.798 ( 2.516 2.859 0.363) 3.825 1.872 ( -0.820 -5.823 0.400) 5.894 1.941 ( 2.554 -0.309 -3.805) 4.593 1.955 ( -0.110 5.509 3.478) 6.516 2.091 ( -1.631 3.878 0.725) 4.269 2.151 ( -3.793 2.191 5.164) 6.771 2.161 ( -3.058 -2.732 2.536) 4.822 2.281 ( -1.002 -0.559 1.067) 1.567 2.359 ( -1.723 0.770 -2.405) 3.057 2.442 ( 2.701 -3.281 -4.055) 5.874 2.558 ( -1.124 6.391 -0.773) 6.535 2.683 ( 5.525 5.438 -4.222) 8.827 2.737 ( 1.677 -1.036 -0.833) 2.140 2.837 ( -6.215 1.811 0.528) 6.495 2.871 ( 1.664 3.521 2.432) 4.591 2.971 ( -5.311 -3.531 -0.927) 6.445 3.108 ( -0.556 -0.023 3.970) 4.009 3.129 ( 4.535 -1.070 5.867) 7.492 3.189 ( 2.276 -0.076 1.996) 3.028 3.267 ( 1.624 2.513 -0.904) 3.126 3.321 ( 3.102 0.656 3.959) 5.072 3.372 ( 3.526 -3.157 -0.552) 4.765 3.405 ( -0.161 -1.032 -0.400) 1.118 3.482 ( 0.531 0.916 -3.534) 3.689 3.624 ( -3.600 3.616 2.726) 5.785 3.714 ( -1.983 2.023 1.808) 3.361 3.789 ( 5.002 0.506 1.703) 5.308 3.829 ( -1.194 3.523 2.952) 4.749 4.000 ( -2.601 4.415 0.513) 5.150 4.048 ( 1.368 -3.994 -1.296) 4.416 4.119 ( -3.865 1.453 3.006) 5.108 4.233 ( 3.601 -3.303 5.436) 7.309 4.242 ( -3.024 -0.078 0.615) 3.087 4.302 ( -1.570 1.900 1.497) 2.884 4.369 ( -1.683 -1.629 0.362) 2.370 4.435 ( -1.995 2.549 4.291) 5.375 4.448 ( 1.471 2.218 1.276) 2.952 4.504 ( 1.413 1.189 2.622) 3.207 4.571 ( -2.016 -2.728 -0.001) 3.392 4.728 ( 0.574 -1.989 -0.252) 2.086 4.797 ( 0.995 -0.498 2.041) 2.325 4.863 ( 4.042 -0.972 1.045) 4.286 4.995 ( -0.858 -2.386 -4.382) 5.063 5.070 ( 2.661 -3.211 -2.666) 4.950 5.154 ( 2.909 -0.181 -2.287) 3.705 5.276 ( -0.511 -2.821 1.827) 3.400 5.311 ( 0.654 -1.885 -1.969) 2.803 5.571 ( -1.348 -0.914 -6.642) 6.838 5.847 ( 0.039 -2.634 -0.334) 2.655 5.942 ( -2.074 -2.446 1.250) 3.442 6.354 ( -0.925 3.116 -0.696) 3.324 6.427 ( 1.549 4.264 -1.970) 4.945 6.488 ( 0.296 0.109 -1.753) 1.781 6.641 ( -1.172 0.818 -2.865) 3.202 7.122 ( 0.192 -0.524 -0.677) 0.878 7.150 ( 0.307 1.636 2.885) 3.331 7.207 ( -0.565 2.670 2.100) 3.443 7.768 ( -1.235 -9.558 -5.902) 11.301 7.872 ( -1.204 1.938 2.147) 3.133 8.047 ( -2.015 -0.054 -2.551) 3.251 8.161 ( 0.819 1.983 -1.830) 2.820 8.326 ( 0.365 -3.855 -4.231) 5.736 8.424 ( -0.529 3.271 1.308) 3.562 8.524 ( 1.508 -0.141 0.891) 1.757 8.700 ( 0.266 -3.034 0.801) 3.149 8.764 ( 0.115 -2.951 -0.582) 3.010 9.168 ( -0.610 0.299 -0.680) 0.961 9.228 ( -0.345 -1.377 -1.772) 2.271 9.345 ( -0.680 1.355 2.921) 3.291 9.410 ( 2.909 -0.526 2.856) 4.111 10.438 ( 0.449 -4.239 0.008) 4.262 10.449 ( -0.420 -5.403 0.240) 5.425 10.732 ( -0.732 3.173 1.068) 3.426 10.745 ( -0.155 3.477 0.234) 3.488 10.827 ( 1.355 1.386 -0.620) 2.035 10.936 ( 0.114 3.255 -3.686) 4.918 11.085 ( -0.125 -1.231 1.842) 2.219 11.140 ( -0.694 -0.273 -0.525) 0.912 11.481 ( -0.524 2.495 0.462) 2.591 11.561 ( 0.677 -0.001 2.137) 2.242 11.606 ( -0.019 0.424 -1.709) 1.761 11.706 ( -0.248 -1.128 -1.516) 1.905 12.498 ( 0.079 1.274 0.343) 1.321 12.574 ( 0.338 -0.568 1.079) 1.266 12.619 ( 0.334 1.121 -2.963) 3.186 12.725 ( -0.449 -1.287 -1.419) 1.967 14.160 ( 0.354 0.201 1.396) 1.454 14.196 ( -0.667 -0.688 -0.327) 1.012 14.385 ( -1.044 0.365 -1.669) 2.002 14.442 ( 0.737 -0.650 -3.084) 3.237 14.599 ( -0.633 -0.845 1.557) 1.881 14.670 ( -0.686 -0.247 -0.526) 0.899 14.739 ( 1.742 1.429 1.449) 2.679 14.798 ( 0.362 0.373 0.411) 0.662 15.506 ( 0.041 -0.729 -1.330) 1.517 15.513 ( 0.661 -0.703 -1.214) 1.551 15.654 ( -0.722 0.625 -0.132) 0.964 15.657 ( -0.137 0.684 -0.315) 0.765 16.076 ( 0.793 -1.002 0.984) 1.613 16.095 ( 0.046 -1.199 0.650) 1.364 16.298 ( 0.180 0.916 1.669) 1.913 16.337 ( -0.246 -0.068 2.169) 2.184 16.679 ( -0.982 -0.278 0.397) 1.095 16.693 ( 0.480 -1.365 0.761) 1.635 16.865 ( 0.122 4.316 2.931) 5.218 16.980 ( 0.340 0.800 -0.515) 1.010 17.108 ( -1.740 -0.430 0.785) 1.957 17.157 ( -1.935 -0.665 -0.012) 2.047 17.182 ( 0.133 -0.676 0.223) 0.724 17.228 ( 1.747 -1.511 0.896) 2.478 18.284 ( -0.882 1.534 1.182) 2.128 18.398 ( 2.004 -0.585 -2.505) 3.261 18.551 ( -0.391 0.115 2.461) 2.495 18.596 ( -1.296 1.602 1.499) 2.548 18.709 ( -1.063 -3.956 -0.584) 4.138 18.778 ( 1.121 -0.161 -2.030) 2.325 18.841 ( -1.750 -0.480 -0.795) 1.981 18.885 ( 1.683 -0.113 -0.288) 1.711 27.732 ( 0.175 0.005 0.396) 0.433 27.752 ( -0.201 1.253 0.368) 1.321 27.896 ( -0.169 -4.476 0.879) 4.564 27.975 ( 0.102 -3.408 -0.657) 3.472 28.073 ( 0.036 -0.851 0.441) 0.959 28.077 ( -0.175 -0.335 0.856) 0.935 28.156 ( -0.177 -0.265 -1.510) 1.543 28.198 ( 0.495 -1.096 -1.501) 1.923 28.866 ( 0.039 9.500 0.692) 9.525 28.906 ( -0.613 11.693 -0.179) 11.710 29.204 ( -0.051 2.938 0.980) 3.098 29.272 ( 0.409 1.489 -1.990) 2.519 29.360 ( 2.480 1.566 -0.152) 2.937 29.420 ( 0.119 -0.404 -0.386) 0.572 29.475 ( 1.291 0.543 3.476) 3.748 29.569 ( -0.834 -3.896 0.595) 4.029 29.924 ( 1.520 -1.056 2.353) 2.994 30.033 ( 0.132 0.805 6.017) 6.072 30.073 ( 3.920 2.040 6.831) 8.135 30.457 ( -0.425 -4.997 -0.957) 5.105 30.574 ( -0.626 7.052 2.462) 7.496 30.918 ( 2.008 -0.034 -4.132) 4.594 31.007 ( 1.974 -0.080 -2.014) 2.821 31.069 ( -0.276 -0.275 2.032) 2.069 31.317 ( 2.207 1.999 -4.903) 5.736 31.596 ( 0.608 -4.269 -8.314) 9.366 31.744 ( -7.268 -2.487 2.592) 8.108 31.868 ( -4.514 -5.254 0.223) 6.930 32.542 ( 0.466 2.215 4.990) 5.480 32.826 ( 1.853 -4.205 3.018) 5.497 33.064 ( 5.266 0.664 -9.027) 10.471 33.196 ( -6.561 -2.675 -3.760) 8.021 ======================= Grid point 45 (23/48) ======================= q-point: (-0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -11.020 9.130 10.141) 17.540 1.229 ( -14.925 7.234 4.843) 17.278 1.374 ( -0.031 2.908 -8.877) 9.341 1.501 ( 0.214 2.551 1.582) 3.010 1.648 ( 3.236 -3.230 -6.632) 8.055 1.714 ( -5.107 -0.154 2.592) 5.730 1.801 ( -7.226 -1.684 2.757) 7.915 1.882 ( 3.579 -2.815 -7.636) 8.890 1.987 ( 0.752 5.485 -3.968) 6.812 2.044 ( -3.572 -2.701 -0.936) 4.575 2.083 ( 0.847 0.273 1.217) 1.507 2.094 ( 5.992 0.408 -1.409) 6.169 2.187 ( 5.249 -2.502 -0.404) 5.829 2.288 ( 0.776 -1.106 3.428) 3.685 2.330 ( -9.168 13.042 -0.803) 15.962 2.381 ( -6.811 3.367 5.247) 9.234 2.507 ( -3.545 1.142 -2.255) 4.353 2.544 ( 2.418 1.865 -1.597) 3.446 2.730 ( 1.617 4.357 -1.742) 4.963 2.843 ( -0.586 -5.493 -1.120) 5.636 2.879 ( -0.030 -1.925 4.411) 4.813 2.990 ( 5.442 3.977 2.010) 7.034 3.113 ( -3.460 -0.965 5.266) 6.375 3.144 ( 3.254 0.072 4.238) 5.343 3.260 ( -0.114 -5.588 1.371) 5.755 3.340 ( -0.074 -2.931 2.974) 4.176 3.359 ( 1.410 1.152 -2.162) 2.826 3.426 ( 4.708 -1.254 -1.763) 5.181 3.516 ( 3.278 -0.190 -4.021) 5.191 3.544 ( 9.097 2.699 4.130) 10.349 3.647 ( 3.282 6.318 -0.179) 7.122 3.702 ( 4.369 -0.350 -3.171) 5.410 3.803 ( 0.948 5.245 3.975) 6.649 3.894 ( 2.181 3.915 1.681) 4.787 3.953 ( -2.171 4.665 -0.643) 5.185 4.019 ( -3.370 -1.970 0.916) 4.010 4.127 ( -0.206 -2.402 2.894) 3.767 4.178 ( 3.011 -3.136 0.074) 4.348 4.236 ( -2.978 1.552 0.141) 3.361 4.332 ( 1.350 -1.398 5.374) 5.714 4.367 ( -2.202 -0.159 3.339) 4.003 4.413 ( 4.590 1.026 -2.204) 5.194 4.477 ( 1.166 3.153 3.292) 4.705 4.531 ( -1.540 -0.718 0.045) 1.699 4.561 ( 3.927 0.994 -0.070) 4.051 4.714 ( -1.368 -0.546 2.780) 3.146 4.819 ( 0.083 0.735 2.903) 2.996 4.921 ( 1.237 -2.655 -1.555) 3.316 4.978 ( -0.462 -3.835 -2.262) 4.476 5.118 ( 1.149 -0.663 -2.272) 2.631 5.164 ( -1.756 2.455 -1.667) 3.448 5.291 ( 1.999 -4.612 1.277) 5.187 5.335 ( 2.870 -2.294 -0.066) 3.675 5.554 ( -0.169 -2.317 -7.568) 7.917 5.845 ( -0.320 -2.402 0.343) 2.447 5.909 ( -1.008 -2.140 2.161) 3.204 6.321 ( -2.077 3.133 -1.995) 4.256 6.410 ( -2.546 3.292 -0.791) 4.236 6.485 ( -0.850 -1.253 -3.676) 3.975 6.607 ( -2.694 1.391 -3.369) 4.532 7.089 ( -3.200 -0.575 -0.172) 3.256 7.125 ( -1.944 0.443 3.196) 3.767 7.191 ( -1.103 3.345 1.149) 3.705 7.676 ( -7.731 -7.603 -7.557) 13.217 7.882 ( 1.843 2.257 1.088) 3.110 8.024 ( 0.089 1.128 -2.484) 2.729 8.165 ( -0.554 1.281 -1.164) 1.818 8.286 ( -3.948 -2.270 -2.667) 5.278 8.429 ( 0.723 3.337 1.370) 3.679 8.583 ( 3.499 -1.395 -1.777) 4.165 8.722 ( 1.909 -3.431 2.117) 4.460 8.781 ( 1.407 -3.093 -0.515) 3.436 9.151 ( -0.854 0.208 -0.705) 1.127 9.216 ( -0.652 -1.813 -0.941) 2.144 9.332 ( -0.731 2.263 2.109) 3.178 9.478 ( 3.732 -2.415 4.454) 6.293 10.446 ( 0.236 -4.421 0.220) 4.433 10.457 ( 1.274 -4.643 -0.033) 4.814 10.724 ( 0.185 4.363 -0.047) 4.367 10.743 ( -0.227 2.405 0.599) 2.489 10.847 ( 0.547 1.536 0.144) 1.637 10.927 ( -0.763 3.524 -3.807) 5.243 11.077 ( -0.703 -2.334 1.908) 3.096 11.094 ( -3.416 -0.312 -0.553) 3.475 11.475 ( -0.069 2.626 0.320) 2.647 11.598 ( 2.011 -0.994 1.159) 2.525 11.608 ( 1.163 0.705 -1.000) 1.688 11.708 ( 0.413 -1.104 -1.570) 1.964 12.501 ( 0.258 1.276 0.428) 1.371 12.577 ( -0.127 -0.332 1.341) 1.388 12.622 ( 0.120 1.030 -2.875) 3.057 12.718 ( -0.206 -1.233 -1.495) 1.949 14.158 ( -0.529 0.176 1.617) 1.710 14.187 ( -0.159 -0.482 -0.853) 0.993 14.382 ( 0.846 0.318 -2.389) 2.554 14.468 ( 1.883 -1.403 -2.356) 3.327 14.581 ( -1.252 -0.904 0.846) 1.761 14.639 ( -2.292 -0.407 -0.022) 2.328 14.754 ( -0.368 1.479 0.885) 1.762 14.785 ( -1.645 0.711 0.698) 1.924 15.507 ( 0.582 -0.598 -1.367) 1.602 15.545 ( 2.001 -1.272 -0.895) 2.535 15.639 ( -0.632 0.845 -0.451) 1.148 15.650 ( -0.480 0.769 -0.219) 0.933 16.085 ( -0.112 -1.188 0.463) 1.280 16.096 ( 0.220 -1.393 0.918) 1.683 16.290 ( -1.055 0.901 1.633) 2.142 16.326 ( -1.063 -0.413 1.929) 2.241 16.653 ( -1.593 0.499 0.261) 1.690 16.696 ( -0.229 -1.043 0.500) 1.179 16.864 ( -0.402 4.262 2.593) 5.005 17.002 ( 1.824 0.039 0.026) 1.824 17.096 ( 0.720 -0.708 2.201) 2.421 17.120 ( -1.823 -0.682 -0.848) 2.123 17.190 ( 0.613 -0.321 -0.009) 0.692 17.264 ( 1.688 -1.333 2.188) 3.068 18.287 ( 1.171 1.232 0.411) 1.749 18.429 ( 0.267 -3.865 -1.274) 4.078 18.505 ( -2.934 3.933 1.564) 5.150 18.597 ( 1.019 0.796 0.541) 1.402 18.679 ( -2.167 -0.309 -0.795) 2.329 18.790 ( -0.215 1.685 -1.665) 2.379 18.823 ( 0.348 -2.361 -0.714) 2.491 18.928 ( 2.567 -1.586 0.250) 3.028 27.732 ( -0.199 0.019 0.421) 0.466 27.751 ( 0.075 1.325 0.271) 1.355 27.894 ( -0.041 -4.425 0.799) 4.496 27.980 ( 0.392 -3.797 -0.703) 3.881 28.072 ( -0.022 -0.182 0.826) 0.846 28.076 ( -0.055 -0.403 0.440) 0.599 28.152 ( -0.120 -0.141 -1.519) 1.531 28.211 ( 0.723 -1.173 -1.266) 1.872 28.867 ( 0.121 9.805 0.854) 9.843 28.912 ( 1.035 11.436 -0.478) 11.492 29.234 ( 2.929 3.198 1.042) 4.460 29.288 ( 1.344 1.711 -1.394) 2.584 29.408 ( 2.338 1.683 -0.330) 2.900 29.443 ( 1.639 -0.215 -0.156) 1.661 29.508 ( 1.781 -1.964 3.705) 4.556 29.560 ( 0.497 -2.242 1.175) 2.579 29.956 ( 0.239 1.432 2.453) 2.851 30.036 ( 2.478 1.270 1.800) 3.316 30.218 ( 9.370 -2.088 12.400) 15.682 30.449 ( -0.248 -4.381 -1.748) 4.724 30.571 ( 0.032 6.475 1.292) 6.603 30.936 ( -1.368 -2.587 0.082) 2.927 30.995 ( -3.053 -1.902 -2.375) 4.311 31.084 ( 1.865 -2.641 0.223) 3.241 31.391 ( 3.694 4.094 -5.234) 7.603 31.548 ( -3.782 -1.731 -9.930) 10.766 31.650 ( 0.020 -2.731 3.217) 4.220 31.846 ( 1.536 -3.180 1.325) 3.772 32.540 ( -0.589 2.285 3.746) 4.428 32.817 ( -3.135 -4.444 3.590) 6.517 33.009 ( -10.516 0.375 -3.454) 11.075 33.118 ( -1.197 -2.456 -10.786) 11.126 ======================= Grid point 46 (24/48) ======================= q-point: (-0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -8.211 13.575 15.419) 22.124 0.908 ( -15.353 14.291 7.928) 22.423 1.396 ( 1.589 2.423 -6.811) 7.402 1.507 ( -6.317 5.347 2.966) 8.792 1.580 ( -1.087 5.652 10.724) 12.171 1.683 ( 0.818 -1.172 -0.342) 1.470 1.764 ( -2.836 1.836 1.809) 3.832 1.816 ( -5.070 4.722 0.867) 6.982 1.905 ( -3.610 -2.164 0.285) 4.218 1.978 ( -1.589 7.865 -0.949) 8.080 2.042 ( -3.156 0.057 0.037) 3.156 2.114 ( 0.409 -4.545 -1.943) 4.960 2.204 ( 0.081 0.727 -0.658) 0.984 2.290 ( 3.679 -2.272 -2.083) 4.799 2.409 ( 10.188 -3.616 2.580) 11.114 2.456 ( -0.156 2.064 -0.110) 2.073 2.529 ( 8.573 2.396 -5.347) 10.384 2.631 ( 6.198 -2.288 -3.735) 7.589 2.781 ( 2.119 -1.745 0.319) 2.764 2.818 ( 0.210 -4.077 1.218) 4.260 2.910 ( -1.089 -0.995 2.411) 2.827 3.013 ( -2.487 -0.735 1.250) 2.879 3.084 ( 0.795 0.260 3.855) 3.945 3.178 ( 0.311 -3.938 1.505) 4.227 3.217 ( -7.425 -4.243 4.177) 9.517 3.306 ( 0.188 -2.150 1.580) 2.675 3.373 ( 5.048 4.073 1.904) 6.760 3.484 ( 1.165 -0.377 -5.067) 5.213 3.580 ( 2.273 -0.388 -1.019) 2.521 3.667 ( -0.882 3.738 3.047) 4.903 3.715 ( 6.350 1.835 1.630) 6.808 3.827 ( 0.124 8.156 -1.198) 8.244 3.854 ( 3.066 1.977 -5.921) 6.954 3.907 ( 1.467 5.024 3.166) 6.117 3.928 ( 2.294 2.232 3.547) 4.778 4.003 ( 2.000 0.351 1.114) 2.316 4.084 ( -1.466 1.658 -0.422) 2.253 4.160 ( -2.264 4.452 -2.849) 5.750 4.280 ( -4.853 2.172 0.890) 5.391 4.331 ( 6.808 -3.839 2.102) 8.093 4.352 ( 0.842 -4.564 3.830) 6.017 4.467 ( -2.235 -0.655 2.071) 3.117 4.503 ( 2.863 -2.069 3.380) 4.889 4.540 ( 0.466 5.597 -2.507) 6.151 4.649 ( 3.362 -3.244 2.521) 5.309 4.738 ( 1.772 -2.861 3.568) 4.905 4.779 ( -0.155 4.073 -0.491) 4.105 4.905 ( -1.710 -3.943 -3.423) 5.494 4.971 ( -0.827 -3.828 0.202) 3.921 5.104 ( -1.844 4.117 -5.898) 7.425 5.143 ( 1.070 2.676 -0.764) 2.981 5.312 ( 0.164 -2.948 -1.565) 3.342 5.429 ( 4.189 -6.477 2.251) 8.036 5.566 ( 3.256 -2.290 -4.946) 6.349 5.839 ( 0.346 -1.580 1.477) 2.190 5.913 ( 1.010 -1.517 3.941) 4.342 6.281 ( -2.058 2.932 -3.102) 4.739 6.352 ( -2.828 1.241 -2.818) 4.181 6.448 ( -2.480 1.033 -4.627) 5.350 6.515 ( -6.037 1.486 -3.163) 6.975 7.033 ( -1.453 0.729 1.407) 2.150 7.116 ( 0.969 -0.477 1.495) 1.845 7.162 ( -1.931 2.714 0.500) 3.368 7.471 ( -12.504 -4.702 -6.813) 14.996 7.923 ( 1.972 2.211 0.725) 3.050 8.046 ( 2.088 2.737 -3.165) 4.676 8.128 ( -3.443 0.342 -0.853) 3.564 8.195 ( -4.157 -0.367 -1.705) 4.508 8.445 ( 0.797 4.059 0.680) 4.192 8.628 ( 1.172 -1.529 -3.425) 3.930 8.760 ( 1.031 -4.810 3.160) 5.847 8.810 ( 1.572 -3.372 -0.289) 3.732 9.142 ( -0.040 0.235 -0.131) 0.272 9.211 ( 0.344 -1.841 -0.303) 1.897 9.323 ( -0.256 2.109 2.375) 3.187 9.547 ( 2.368 -7.569 6.046) 9.973 10.456 ( 0.720 -3.392 -0.131) 3.470 10.480 ( 0.902 -3.811 -0.049) 3.917 10.731 ( -0.381 2.902 -0.079) 2.928 10.749 ( 1.915 2.433 -0.173) 3.101 10.840 ( -1.301 2.616 0.163) 2.926 10.905 ( -1.207 2.790 -3.491) 4.629 11.036 ( -1.891 -1.111 0.235) 2.206 11.065 ( -0.469 -2.772 1.397) 3.139 11.484 ( 1.115 3.764 -0.607) 3.973 11.603 ( -0.015 0.163 -1.533) 1.542 11.674 ( 3.390 -1.729 0.331) 3.820 11.717 ( 0.566 -1.140 -1.539) 1.997 12.505 ( 0.056 1.004 0.639) 1.191 12.576 ( 0.137 0.219 1.114) 1.144 12.621 ( 0.020 0.824 -2.289) 2.433 12.712 ( -0.397 -1.318 -1.532) 2.060 14.147 ( -0.519 0.284 1.328) 1.454 14.189 ( 0.380 -0.419 -0.897) 1.060 14.409 ( 1.959 0.226 -2.748) 3.382 14.496 ( 0.102 -2.878 -2.590) 3.873 14.558 ( -0.339 0.348 0.499) 0.696 14.596 ( -1.527 0.404 0.445) 1.641 14.728 ( -2.130 0.900 0.411) 2.348 14.740 ( -2.927 0.797 0.756) 3.127 15.525 ( 1.169 -0.476 -0.912) 1.557 15.578 ( 0.997 -1.350 -1.244) 2.089 15.632 ( -0.160 0.982 -0.973) 1.392 15.643 ( 0.078 0.812 0.044) 0.817 16.078 ( -0.352 -0.886 0.220) 0.978 16.097 ( -0.658 -1.980 0.303) 2.108 16.264 ( -1.441 0.600 1.226) 1.985 16.299 ( -1.522 -0.813 1.260) 2.136 16.627 ( -0.813 1.299 1.129) 1.903 16.689 ( -0.336 -0.916 -0.396) 1.053 16.856 ( -0.410 4.672 1.876) 5.051 17.043 ( 1.852 -0.900 -0.209) 2.070 17.082 ( -1.291 -0.350 -1.167) 1.775 17.150 ( 3.504 -2.978 4.543) 6.464 17.214 ( 2.581 1.032 2.131) 3.503 17.291 ( 0.742 -0.700 3.537) 3.681 18.320 ( 1.862 0.331 -0.149) 1.897 18.376 ( -4.522 -2.513 -0.748) 5.228 18.474 ( -1.322 2.986 2.082) 3.873 18.630 ( 1.756 2.349 -0.050) 2.934 18.644 ( -0.189 1.668 -3.128) 3.550 18.758 ( -2.498 2.762 -0.626) 3.776 18.848 ( 1.450 -1.855 -0.279) 2.371 18.979 ( 2.400 -2.730 0.038) 3.635 27.727 ( -0.328 -0.043 0.308) 0.451 27.755 ( 0.405 1.000 0.153) 1.090 27.895 ( 0.111 -4.363 0.755) 4.429 27.987 ( 0.279 -4.309 -0.848) 4.401 28.073 ( -0.068 0.158 0.440) 0.473 28.076 ( 0.210 0.053 0.909) 0.934 28.151 ( 0.096 0.004 -1.460) 1.463 28.220 ( 0.250 -1.066 -1.231) 1.647 28.870 ( 0.063 9.891 1.101) 9.952 28.944 ( 2.298 12.006 -1.764) 12.351 29.301 ( 3.093 3.346 1.547) 4.812 29.317 ( 1.651 1.338 -0.256) 2.140 29.453 ( 1.706 1.813 -0.031) 2.490 29.463 ( 0.971 0.870 1.224) 1.788 29.520 ( -0.267 -4.039 -0.985) 4.166 29.628 ( 5.840 -0.506 4.844) 7.604 29.923 ( -3.257 3.460 1.495) 4.981 30.137 ( 5.874 -2.528 1.380) 6.542 30.400 ( 5.119 -2.882 3.897) 7.050 30.449 ( 0.571 -2.706 -0.640) 2.838 30.560 ( -1.970 3.536 -1.268) 4.242 30.829 ( -14.465 -5.089 -6.171) 16.529 30.924 ( 3.060 -6.861 13.007) 15.020 31.105 ( -0.049 -1.664 -1.997) 2.600 31.335 ( -7.523 -1.766 -10.218) 12.811 31.564 ( 5.012 -4.373 -2.358) 7.057 31.813 ( 15.122 5.745 5.847) 17.201 31.935 ( 9.698 1.995 1.902) 10.082 32.536 ( 0.282 1.507 1.470) 2.124 32.708 ( -7.793 -3.591 1.361) 8.688 32.796 ( -9.784 2.487 -1.514) 10.208 33.002 ( -10.777 -3.624 -11.781) 16.373 ======================= Grid point 47 (25/48) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.803 19.274 7.422) 20.669 1.248 ( 0.150 17.359 7.023) 18.726 1.425 ( 2.840 -11.550 3.230) 12.325 1.531 ( 2.029 -5.307 3.538) 6.693 1.576 ( 1.201 1.205 1.476) 2.253 1.686 ( 2.510 -7.149 3.611) 8.393 1.756 ( 0.905 4.417 -3.583) 5.758 1.832 ( 0.203 -0.026 -2.746) 2.754 1.862 ( 5.891 8.347 -4.712) 11.251 2.065 ( -0.973 4.000 6.778) 7.930 2.104 ( 4.101 -0.855 -7.091) 8.236 2.165 ( 2.878 2.140 1.675) 3.958 2.285 ( 3.495 -2.992 -2.451) 5.213 2.344 ( -4.468 0.445 -1.876) 4.866 2.388 ( -3.469 3.197 6.768) 8.249 2.483 ( 1.749 -0.290 -2.875) 3.378 2.576 ( -2.378 2.383 -3.053) 4.544 2.630 ( 1.015 -3.168 -4.803) 5.843 2.701 ( 0.649 2.314 -0.715) 2.507 2.831 ( -0.934 3.200 -1.375) 3.606 2.838 ( -2.309 -3.356 5.291) 6.678 2.961 ( -2.456 -4.230 4.147) 6.413 3.023 ( -1.514 -2.323 5.630) 6.276 3.048 ( 0.153 -5.302 0.723) 5.353 3.108 ( -0.513 -0.382 9.439) 9.461 3.205 ( -2.491 -6.361 8.223) 10.691 3.480 ( -2.200 2.964 -5.198) 6.375 3.537 ( -1.990 -3.021 -1.736) 4.013 3.674 ( 0.467 4.610 4.010) 6.128 3.728 ( 0.842 1.462 0.308) 1.715 3.802 ( 1.265 3.961 -0.940) 4.263 3.886 ( 2.506 -1.517 -2.608) 3.922 3.942 ( -1.369 4.666 -1.272) 5.026 3.987 ( -0.079 -0.299 -0.542) 0.625 4.008 ( 1.468 6.908 -3.015) 7.679 4.051 ( -0.349 8.162 5.228) 9.699 4.202 ( -3.161 -5.978 -0.390) 6.774 4.253 ( 2.153 -0.392 -1.658) 2.746 4.269 ( -0.287 0.409 -1.014) 1.131 4.282 ( 0.090 -1.889 1.573) 2.460 4.335 ( 3.666 -2.176 2.256) 4.824 4.402 ( 5.708 -3.645 -0.041) 6.773 4.522 ( -1.131 3.092 0.669) 3.359 4.559 ( -3.928 3.322 2.688) 5.804 4.618 ( -1.010 -2.084 3.098) 3.868 4.681 ( -3.792 -3.909 2.772) 6.111 4.718 ( -1.222 1.781 3.352) 3.988 4.833 ( -0.891 -6.362 1.573) 6.613 4.995 ( 0.340 6.232 -6.232) 8.820 5.139 ( -3.953 -4.083 -4.812) 7.446 5.184 ( -0.459 1.604 -5.057) 5.325 5.266 ( 0.244 -2.643 -2.092) 3.379 5.347 ( -0.208 5.157 -5.383) 7.457 5.515 ( 2.593 -8.587 -6.863) 11.294 5.883 ( 2.938 0.242 3.353) 4.464 5.908 ( 2.085 -1.911 4.224) 5.083 6.285 ( -1.183 2.623 -1.240) 3.133 6.326 ( -1.219 -1.233 -0.939) 1.972 6.484 ( 0.878 1.902 -3.114) 3.753 6.498 ( 3.398 0.754 -3.658) 5.049 7.079 ( -0.393 2.349 1.199) 2.666 7.122 ( -0.221 -1.552 0.590) 1.675 7.181 ( -0.043 2.897 0.187) 2.903 7.244 ( -0.199 -2.953 -0.887) 3.090 8.002 ( 0.131 3.174 0.097) 3.178 8.068 ( 0.040 -2.893 -1.291) 3.169 8.110 ( -0.585 2.707 -0.880) 2.906 8.154 ( 0.229 -0.951 -2.590) 2.768 8.562 ( -0.012 4.429 -0.244) 4.436 8.620 ( 0.419 -0.275 -1.541) 1.620 8.666 ( -0.975 -1.388 1.709) 2.408 8.740 ( 0.697 -5.428 -0.629) 5.508 9.161 ( 0.496 1.078 0.544) 1.305 9.189 ( 0.754 -1.663 0.511) 1.896 9.352 ( -0.707 1.371 2.658) 3.073 9.396 ( -2.543 -3.469 3.714) 5.683 10.420 ( -0.008 -1.066 -0.407) 1.141 10.429 ( -0.207 -1.941 -0.463) 2.006 10.776 ( -0.293 2.736 -0.326) 2.771 10.807 ( 0.401 0.099 -1.248) 1.314 10.873 ( -0.822 2.036 0.207) 2.206 10.902 ( -1.278 0.319 -2.064) 2.449 10.998 ( 0.731 -1.542 1.115) 2.038 11.003 ( 1.462 -2.439 1.098) 3.048 11.574 ( 0.586 2.048 -1.108) 2.401 11.603 ( -0.001 -0.647 -0.463) 0.796 11.673 ( -0.141 0.797 -2.807) 2.921 11.703 ( 0.895 -1.777 -2.028) 2.841 12.526 ( -0.270 1.447 0.764) 1.658 12.559 ( -0.434 -1.563 0.484) 1.693 12.641 ( -0.082 1.530 -1.976) 2.501 12.678 ( 0.296 -1.916 -1.667) 2.557 14.155 ( -0.162 1.023 0.505) 1.152 14.179 ( 0.251 -1.286 0.063) 1.312 14.459 ( 1.658 0.361 -3.191) 3.614 14.464 ( 0.763 -0.109 -3.423) 3.509 14.586 ( 1.016 0.791 0.945) 1.598 14.600 ( 1.046 -0.312 0.363) 1.150 14.681 ( -2.817 0.234 1.700) 3.298 14.689 ( -1.494 -0.447 0.902) 1.801 15.539 ( -0.320 0.597 -1.099) 1.291 15.556 ( -0.211 -1.062 -1.492) 1.844 15.651 ( 0.642 0.881 -0.376) 1.153 15.664 ( 0.878 -0.255 -0.662) 1.129 16.053 ( -1.037 -0.010 0.623) 1.210 16.060 ( -0.190 -0.703 0.649) 0.976 16.260 ( 0.061 0.890 0.832) 1.220 16.278 ( 0.478 -0.751 0.684) 1.123 16.642 ( -0.529 1.073 0.081) 1.199 16.664 ( -0.343 -1.069 -0.571) 1.259 16.945 ( -0.123 3.977 0.459) 4.006 17.008 ( -0.283 -2.187 -0.668) 2.305 17.107 ( 1.722 0.790 1.636) 2.503 17.137 ( 1.438 -2.047 2.278) 3.384 17.274 ( 0.413 0.164 4.521) 4.543 17.282 ( -0.652 -0.498 4.273) 4.351 18.315 ( -0.589 0.356 0.003) 0.689 18.330 ( 0.101 -1.086 0.281) 1.126 18.543 ( -0.427 5.856 0.803) 5.926 18.650 ( 1.504 -3.529 -1.510) 4.123 18.712 ( -0.011 1.828 0.898) 2.037 18.740 ( -1.643 -0.732 2.011) 2.698 18.865 ( 0.287 2.817 -2.574) 3.827 18.938 ( 0.353 -3.572 -0.952) 3.714 27.734 ( -0.152 1.354 -0.209) 1.378 27.771 ( -0.074 -1.180 -1.434) 1.858 27.838 ( 0.151 0.419 1.229) 1.308 27.898 ( 0.086 -4.141 -0.573) 4.181 28.079 ( -0.046 0.320 0.263) 0.417 28.083 ( 0.118 -0.038 0.419) 0.436 28.162 ( 0.035 0.952 -1.231) 1.557 28.190 ( -0.211 -1.606 -1.326) 2.093 29.079 ( -0.607 8.825 1.209) 8.928 29.147 ( 0.517 2.746 -0.799) 2.906 29.320 ( 0.308 0.563 3.064) 3.130 29.399 ( 2.098 -4.745 1.785) 5.487 29.413 ( -2.258 1.391 2.874) 3.911 29.455 ( -0.122 -1.137 2.449) 2.703 29.596 ( 1.078 5.798 -0.199) 5.900 29.701 ( 1.958 -4.104 0.733) 4.606 29.910 ( -8.422 6.164 -0.511) 10.449 30.010 ( -6.979 -3.718 1.964) 8.148 30.312 ( -4.173 2.287 -3.333) 5.810 30.376 ( -1.695 -3.442 -2.889) 4.802 30.664 ( 7.140 5.585 4.130) 9.961 30.781 ( 6.393 -2.086 2.967) 7.351 30.915 ( 2.156 2.379 3.068) 4.441 31.030 ( -0.240 -5.027 -0.742) 5.087 31.213 ( -6.125 4.901 -8.072) 11.256 31.388 ( -3.476 -11.388 -3.206) 12.331 32.116 ( 6.720 3.706 3.582) 8.469 32.192 ( 6.853 -3.904 3.481) 8.621 32.530 ( -2.545 0.438 -2.264) 3.434 32.554 ( -2.176 -2.016 -1.992) 3.573 32.769 ( 0.636 1.019 -2.524) 2.795 32.780 ( 0.031 0.133 -3.606) 3.609 ======================= Grid point 48 (26/48) ======================= q-point: ( 0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 8.345 13.719 1.977) 16.179 1.265 ( 2.249 7.749 9.576) 12.522 1.529 ( 2.369 -1.968 -3.362) 4.559 1.593 ( 4.597 -4.067 1.622) 6.348 1.622 ( 4.788 -1.457 0.278) 5.012 1.686 ( -0.781 -6.551 1.817) 6.843 1.825 ( 4.076 3.832 2.131) 5.986 1.840 ( 1.842 5.013 0.694) 5.386 1.972 ( -2.732 4.583 -1.848) 5.647 2.038 ( 5.454 6.513 3.372) 9.140 2.104 ( -2.649 0.462 -4.767) 5.473 2.225 ( -5.080 0.392 3.093) 5.961 2.231 ( -2.264 -4.618 1.310) 5.307 2.307 ( 0.536 3.447 0.378) 3.509 2.382 ( 2.982 5.882 5.974) 8.899 2.510 ( 0.527 -1.149 -5.415) 5.560 2.595 ( 4.318 0.646 -6.433) 7.774 2.643 ( 1.590 -2.290 -6.387) 6.969 2.707 ( 0.732 5.196 -0.015) 5.248 2.791 ( -5.303 1.878 8.423) 10.129 2.832 ( 1.388 -1.015 -1.766) 2.464 2.925 ( -1.086 -9.744 6.903) 11.991 3.011 ( -0.815 -4.688 3.018) 5.635 3.020 ( 1.012 -2.856 -1.625) 3.439 3.121 ( 0.224 -1.133 6.520) 6.621 3.174 ( -0.395 -5.449 3.313) 6.389 3.416 ( -3.898 4.067 -1.396) 5.804 3.494 ( -3.056 -4.103 -0.778) 5.175 3.602 ( -4.381 3.543 1.046) 5.730 3.653 ( -6.408 -0.714 1.548) 6.631 3.832 ( -0.758 7.798 2.795) 8.319 3.874 ( -5.958 4.407 -2.252) 7.746 3.943 ( 2.074 0.637 -1.745) 2.784 3.963 ( -2.608 -1.328 -3.952) 4.917 4.002 ( -3.471 5.899 0.973) 6.913 4.058 ( 0.573 5.086 -1.033) 5.222 4.139 ( -0.050 -0.137 -0.456) 0.479 4.240 ( -1.312 1.513 1.580) 2.551 4.281 ( 1.971 -1.863 4.676) 5.406 4.308 ( -0.075 -6.296 2.755) 6.873 4.386 ( 0.296 0.556 3.533) 3.588 4.415 ( -1.289 -1.436 1.841) 2.667 4.490 ( -1.401 3.799 0.662) 4.103 4.580 ( -0.415 -4.777 -1.458) 5.012 4.597 ( 2.455 1.114 -0.099) 2.698 4.642 ( -0.118 -3.338 1.884) 3.835 4.709 ( -0.463 1.539 2.856) 3.278 4.821 ( -1.505 -6.217 1.726) 6.626 4.961 ( -2.049 4.152 -3.383) 5.734 5.053 ( -2.416 -1.001 -4.911) 5.564 5.140 ( -3.743 0.246 -3.899) 5.410 5.231 ( -2.936 -6.014 -2.577) 7.171 5.357 ( 0.992 8.952 -4.775) 10.194 5.548 ( 0.881 -8.779 -6.785) 11.131 5.885 ( -2.414 2.248 4.425) 5.519 5.934 ( 0.032 -2.413 3.281) 4.073 6.321 ( 3.791 1.471 -2.462) 4.754 6.342 ( 3.418 -0.421 -2.110) 4.039 6.526 ( 2.732 3.643 -2.170) 5.044 6.584 ( 4.171 -1.898 -1.914) 4.966 7.047 ( -0.424 2.629 2.080) 3.379 7.095 ( -0.449 -1.499 1.794) 2.380 7.243 ( 4.105 4.432 -0.653) 6.077 7.361 ( 8.698 -7.031 -2.547) 11.471 8.003 ( -0.288 2.981 -0.121) 2.997 8.065 ( -0.269 -2.678 -1.760) 3.216 8.123 ( 1.872 2.375 -0.983) 3.180 8.174 ( 1.719 -2.023 -2.372) 3.560 8.550 ( -0.945 3.758 -0.676) 3.934 8.610 ( -1.624 0.813 -0.933) 2.042 8.645 ( -1.093 -1.138 1.584) 2.235 8.732 ( -1.589 -5.348 -0.214) 5.583 9.169 ( 0.513 1.097 -0.065) 1.213 9.199 ( 0.279 -1.700 -0.331) 1.754 9.349 ( 0.155 0.151 3.093) 3.101 9.360 ( -0.880 -1.065 2.778) 3.102 10.404 ( -1.430 -1.486 -0.332) 2.089 10.408 ( -1.477 -1.795 -0.163) 2.330 10.777 ( 0.334 2.807 -0.243) 2.837 10.811 ( 0.179 0.030 -1.121) 1.136 10.854 ( -0.915 2.326 0.428) 2.536 10.901 ( 0.863 -1.277 -2.055) 2.569 11.034 ( 2.588 -0.575 1.023) 2.841 11.049 ( 2.946 -1.683 0.442) 3.422 11.572 ( -0.597 1.464 -0.962) 1.850 11.593 ( -1.024 -0.617 0.280) 1.228 11.658 ( -1.012 2.696 -2.361) 3.724 11.705 ( -0.578 -1.911 -1.804) 2.691 12.524 ( 0.017 1.338 0.610) 1.471 12.550 ( -0.311 -1.055 0.599) 1.253 12.641 ( 0.234 1.807 -2.134) 2.806 12.687 ( 0.555 -2.493 -1.936) 3.205 14.154 ( 0.146 1.228 0.378) 1.294 14.184 ( 0.156 -1.592 0.245) 1.618 14.457 ( -1.148 0.512 -2.687) 2.967 14.466 ( -1.142 -0.315 -2.760) 3.004 14.607 ( 0.754 0.622 1.153) 1.511 14.625 ( 1.029 -1.024 0.758) 1.638 14.670 ( 2.132 1.775 0.835) 2.898 14.702 ( 2.494 -1.187 0.371) 2.787 15.519 ( -1.260 0.891 -1.037) 1.859 15.542 ( -1.202 -1.234 -1.007) 1.996 15.665 ( 0.557 0.972 -0.595) 1.269 15.677 ( 0.291 -0.064 -0.726) 0.784 16.039 ( -0.166 0.443 0.555) 0.730 16.058 ( 0.003 -1.257 0.624) 1.404 16.278 ( 1.463 1.189 1.080) 2.173 16.300 ( 1.466 -0.836 1.156) 2.046 16.641 ( 0.462 0.452 0.230) 0.687 16.661 ( 0.100 -1.390 -0.213) 1.409 16.945 ( 0.176 4.097 0.718) 4.164 17.005 ( -0.055 -1.541 -0.465) 1.610 17.133 ( 0.704 0.275 1.362) 1.557 17.153 ( 0.240 -1.435 0.930) 1.727 17.246 ( -2.948 0.041 3.928) 4.912 17.252 ( -2.655 -0.468 4.470) 5.220 18.313 ( 0.218 0.526 -0.038) 0.570 18.342 ( 1.246 -2.392 0.473) 2.738 18.534 ( -0.765 6.445 0.719) 6.530 18.664 ( -0.900 -5.171 0.598) 5.283 18.714 ( 0.294 0.780 -0.262) 0.873 18.723 ( 0.733 0.644 0.425) 1.064 18.853 ( -1.042 2.893 -2.314) 3.848 18.921 ( -1.865 -3.039 -0.144) 3.569 27.733 ( 0.136 1.335 -0.230) 1.362 27.769 ( 0.042 -1.166 -1.270) 1.725 27.840 ( -0.067 0.309 1.205) 1.246 27.897 ( -0.145 -4.043 -0.473) 4.074 28.075 ( -0.361 0.418 0.187) 0.583 28.081 ( -0.285 -0.230 0.529) 0.644 28.161 ( -0.073 0.675 -1.217) 1.394 28.183 ( -0.403 -1.326 -1.448) 2.004 29.066 ( -0.666 8.398 0.887) 8.471 29.158 ( 0.557 -0.039 -1.510) 1.609 29.298 ( -2.916 3.829 4.601) 6.658 29.372 ( -1.847 -0.613 2.186) 2.926 29.424 ( 0.477 -1.153 0.429) 1.319 29.453 ( -0.875 -1.696 2.590) 3.217 29.548 ( -6.311 4.894 -0.107) 7.987 29.588 ( -7.516 2.786 -2.415) 8.371 29.854 ( 1.817 0.435 5.274) 5.595 29.905 ( -2.854 -3.294 0.911) 4.453 30.258 ( -2.104 4.716 -0.695) 5.210 30.357 ( -0.405 -4.793 -0.528) 4.839 30.804 ( 3.507 6.788 1.433) 7.774 30.873 ( 3.597 5.473 -0.765) 6.593 30.949 ( 0.951 2.930 -1.007) 3.241 31.080 ( 0.881 -2.356 1.700) 3.036 31.155 ( 6.358 -4.107 -4.311) 8.711 31.282 ( -6.209 -12.868 -5.246) 15.221 32.106 ( -7.795 1.854 3.357) 8.687 32.147 ( -8.603 -2.121 3.413) 9.495 32.507 ( 1.597 2.305 -0.033) 2.804 32.567 ( 3.885 -3.377 -0.725) 5.198 32.849 ( 8.324 4.964 -3.788) 10.406 32.968 ( 11.645 -6.945 -5.004) 14.453 ======================= Grid point 49 (27/48) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 5.126 6.485 -1.131) 8.343 1.340 ( 3.554 2.130 4.172) 5.879 1.507 ( -0.104 4.706 -0.993) 4.811 1.629 ( -2.219 -2.131 -0.485) 3.114 1.706 ( 3.511 -4.803 -3.971) 7.152 1.739 ( 2.042 -3.642 -5.226) 6.690 1.834 ( -1.688 4.822 -2.339) 5.619 1.880 ( -2.748 6.258 -0.639) 6.864 1.901 ( -0.178 2.852 -1.522) 3.238 2.028 ( -0.184 -3.562 -1.573) 3.898 2.130 ( 0.793 1.410 5.456) 5.691 2.146 ( -3.384 -3.309 4.478) 6.516 2.214 ( 3.009 2.817 2.894) 5.037 2.306 ( -1.776 -1.615 0.799) 2.530 2.427 ( -7.987 2.206 1.809) 8.481 2.456 ( 0.604 2.974 2.512) 3.940 2.644 ( -0.056 1.178 -2.480) 2.747 2.698 ( 3.280 2.241 -6.565) 7.673 2.719 ( -0.182 -0.193 3.939) 3.948 2.797 ( 4.624 6.408 -1.738) 8.090 2.868 ( 5.568 -3.038 4.537) 7.799 2.918 ( 2.643 -3.039 3.997) 5.674 3.018 ( 2.189 -1.220 -0.780) 2.624 3.095 ( 2.530 -0.595 -3.593) 4.435 3.123 ( 2.082 0.886 -1.107) 2.519 3.221 ( 4.577 -4.755 3.237) 7.352 3.333 ( -4.421 2.290 2.501) 5.572 3.393 ( -5.844 -3.018 -0.332) 6.586 3.538 ( -3.749 2.589 1.398) 4.766 3.570 ( -0.866 0.175 3.417) 3.529 3.724 ( -7.046 4.161 -0.781) 8.220 3.786 ( -5.185 0.521 0.510) 5.236 3.883 ( -5.136 6.368 -5.590) 9.909 3.913 ( -1.265 3.893 1.179) 4.260 3.990 ( 0.724 -1.597 0.591) 1.851 4.045 ( -0.730 -5.390 -0.607) 5.473 4.158 ( -0.509 3.485 5.354) 6.408 4.212 ( -0.678 0.170 4.242) 4.299 4.271 ( -2.498 0.631 3.666) 4.481 4.326 ( -0.105 -3.910 5.288) 6.577 4.399 ( 1.414 -0.142 0.623) 1.552 4.401 ( -0.862 -0.813 2.508) 2.773 4.490 ( 1.551 2.027 2.095) 3.302 4.552 ( -1.395 -3.074 0.061) 3.376 4.603 ( -4.011 2.706 -1.187) 4.981 4.643 ( 1.151 -2.313 -0.390) 2.613 4.720 ( 1.630 0.605 -0.640) 1.853 4.790 ( 0.209 -1.668 4.238) 4.559 4.954 ( 0.672 -1.453 -1.498) 2.193 5.007 ( -4.621 -5.402 0.441) 7.123 5.096 ( 1.733 3.716 -5.067) 6.518 5.196 ( 0.098 -5.554 -4.938) 7.433 5.371 ( 0.648 8.270 -4.683) 9.526 5.544 ( -0.734 -7.249 -7.366) 10.361 5.840 ( -1.967 2.459 2.962) 4.323 5.912 ( -1.977 -3.842 2.133) 4.818 6.404 ( 4.167 1.687 -2.213) 5.011 6.409 ( 2.617 1.451 -1.038) 3.168 6.561 ( 0.557 4.038 -1.696) 4.415 6.632 ( 0.912 -2.502 -2.061) 3.367 7.083 ( 2.963 1.318 2.620) 4.169 7.117 ( 1.990 -1.432 3.980) 4.675 7.310 ( 2.721 7.676 -1.515) 8.284 7.501 ( 5.181 -10.597 -3.160) 12.212 7.975 ( -2.457 3.535 0.455) 4.329 8.046 ( -1.674 -2.929 -1.747) 3.799 8.169 ( 2.371 1.711 -1.468) 3.272 8.216 ( 2.443 -2.954 -2.715) 4.698 8.530 ( -1.109 3.579 -1.055) 3.893 8.559 ( -2.848 2.311 0.628) 3.721 8.633 ( -0.251 -2.312 0.817) 2.465 8.694 ( -1.705 -5.203 -0.146) 5.477 9.181 ( 0.469 0.868 -0.883) 1.324 9.204 ( 0.222 -1.328 -1.320) 1.886 9.358 ( 0.729 0.364 2.691) 2.811 9.366 ( 0.947 -0.299 2.374) 2.574 10.375 ( -1.190 -1.689 0.040) 2.066 10.382 ( -1.130 -2.273 -0.045) 2.539 10.784 ( 0.287 2.522 0.273) 2.553 10.815 ( 0.260 0.115 -0.742) 0.795 10.844 ( 0.002 3.437 0.126) 3.439 10.919 ( 1.044 -2.866 -2.060) 3.681 11.082 ( 1.830 0.902 0.453) 2.089 11.104 ( 2.396 -1.110 -0.153) 2.645 11.552 ( -1.327 1.649 -0.394) 2.153 11.570 ( -1.184 -0.249 0.982) 1.558 11.639 ( -0.700 2.424 -1.763) 3.078 11.687 ( -0.951 -2.039 -1.631) 2.779 12.526 ( 0.093 1.403 0.439) 1.473 12.550 ( 0.235 -0.959 0.666) 1.191 12.646 ( 0.335 1.994 -2.339) 3.092 12.692 ( 0.111 -2.366 -1.942) 3.062 14.161 ( 0.410 0.973 0.489) 1.163 14.184 ( -0.107 -1.290 0.238) 1.316 14.424 ( -1.778 0.422 -1.785) 2.554 14.435 ( -1.282 -0.579 -2.663) 3.012 14.613 ( -0.141 1.066 1.847) 2.137 14.642 ( 0.508 -1.596 1.052) 1.978 14.730 ( 3.183 1.932 -0.047) 3.724 14.760 ( 2.905 -0.955 -0.075) 3.059 15.499 ( -0.631 0.510 -0.962) 1.258 15.515 ( -1.294 -0.992 -0.744) 1.792 15.670 ( 0.047 0.650 -1.006) 1.199 15.675 ( -0.324 0.179 -0.632) 0.732 16.046 ( 0.682 0.052 0.685) 0.968 16.062 ( 0.321 -1.352 0.723) 1.566 16.307 ( 1.205 1.264 1.473) 2.284 16.326 ( 0.974 -0.553 1.746) 2.074 16.657 ( 0.998 -0.191 0.729) 1.250 16.667 ( 0.377 -1.031 0.480) 1.198 16.951 ( 0.299 4.057 1.196) 4.240 17.001 ( -0.438 -0.576 -0.191) 0.748 17.131 ( -1.002 0.026 0.270) 1.038 17.152 ( -0.420 -1.846 -0.333) 1.922 17.193 ( -2.120 0.171 2.854) 3.559 17.201 ( -1.981 -0.462 3.290) 3.868 18.322 ( 0.551 1.375 0.486) 1.559 18.365 ( 0.653 -2.574 0.312) 2.674 18.526 ( 0.568 4.115 0.627) 4.201 18.626 ( -2.153 -4.806 1.188) 5.398 18.719 ( -0.915 2.878 0.605) 3.080 18.746 ( 1.540 0.062 -1.099) 1.893 18.844 ( 0.435 0.425 -2.005) 2.096 18.876 ( -2.442 -2.287 0.235) 3.354 27.738 ( 0.304 1.253 -0.138) 1.297 27.771 ( 0.163 -0.859 -1.092) 1.399 27.837 ( -0.267 0.159 1.234) 1.273 27.893 ( -0.206 -4.020 -0.354) 4.040 28.069 ( -0.205 0.284 0.236) 0.422 28.075 ( -0.306 -0.319 0.591) 0.737 28.158 ( -0.101 0.408 -1.246) 1.315 28.175 ( -0.282 -1.107 -1.444) 1.841 29.059 ( -0.046 8.333 0.433) 8.345 29.159 ( -0.713 1.452 -2.512) 2.988 29.239 ( -2.357 4.023 3.631) 5.909 29.312 ( -3.833 0.341 0.755) 3.922 29.407 ( -0.400 4.131 -0.502) 4.180 29.454 ( 1.071 -0.596 1.413) 1.870 29.473 ( -4.095 0.478 -1.386) 4.350 29.491 ( -1.028 -3.310 2.584) 4.323 29.883 ( 1.089 -0.137 4.639) 4.768 29.914 ( 2.606 -2.637 6.677) 7.638 30.216 ( -2.086 6.272 0.247) 6.614 30.345 ( -0.902 -6.255 0.371) 6.331 30.799 ( -1.702 10.815 0.303) 10.952 30.910 ( 0.624 -0.306 -4.038) 4.097 30.973 ( 0.974 2.306 -4.821) 5.432 31.074 ( -3.006 -3.798 0.282) 4.852 31.238 ( 5.153 -1.509 -3.637) 6.485 31.347 ( 10.033 -8.273 -2.165) 13.183 31.905 ( -11.456 1.066 3.077) 11.910 31.950 ( -10.877 -2.857 0.651) 11.265 32.566 ( 3.238 3.734 3.332) 5.961 32.657 ( 4.459 -4.917 1.813) 6.881 33.006 ( 6.864 4.895 -5.644) 10.145 33.124 ( 4.283 -6.687 -5.282) 9.537 ======================= Grid point 50 (28/48) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -3.324 5.404 -1.730) 6.576 1.385 ( 2.015 -2.152 -2.782) 4.054 1.525 ( -0.581 4.923 1.006) 5.058 1.568 ( -5.034 1.933 -5.522) 7.718 1.638 ( -5.674 1.807 -8.151) 10.095 1.722 ( -0.596 -5.006 -1.735) 5.332 1.807 ( -1.443 1.962 -2.989) 3.855 1.898 ( 3.697 3.293 -3.432) 6.025 1.928 ( 0.810 -1.377 -5.385) 5.617 2.024 ( -0.446 -2.462 -0.169) 2.508 2.106 ( -2.305 -0.241 3.458) 4.162 2.121 ( -4.506 -0.188 1.765) 4.843 2.245 ( 1.215 6.710 8.168) 10.640 2.282 ( -1.696 0.966 5.841) 6.158 2.323 ( 1.829 -1.260 2.841) 3.606 2.421 ( -2.155 -4.273 1.314) 4.963 2.609 ( -3.225 1.194 -0.007) 3.439 2.678 ( -1.613 -3.607 -3.791) 5.475 2.783 ( 2.656 3.446 -3.132) 5.361 2.829 ( 1.101 -0.628 -1.123) 1.694 2.944 ( -1.910 2.182 -0.879) 3.030 3.016 ( 4.838 0.188 -1.662) 5.119 3.105 ( 0.665 0.500 0.435) 0.939 3.123 ( -0.864 0.446 1.045) 1.428 3.186 ( 7.368 3.294 5.298) 9.655 3.273 ( 2.019 -1.627 4.476) 5.172 3.327 ( 3.379 3.272 0.864) 4.782 3.383 ( 6.169 -0.425 4.272) 7.515 3.478 ( -7.118 4.983 -1.702) 8.854 3.500 ( -1.091 2.076 -0.733) 2.457 3.645 ( -3.396 0.164 -1.444) 3.694 3.711 ( 2.009 -5.068 -0.894) 5.525 3.835 ( 0.544 6.211 0.280) 6.241 3.918 ( 1.265 4.316 1.976) 4.912 3.986 ( -0.710 -3.502 0.397) 3.595 4.047 ( 0.433 -6.665 1.687) 6.889 4.119 ( -3.107 3.974 5.176) 7.228 4.194 ( -1.802 4.404 1.637) 5.032 4.258 ( -0.529 -5.263 5.687) 7.766 4.283 ( -1.832 -1.302 2.361) 3.260 4.362 ( -1.472 3.881 -0.126) 4.153 4.454 ( 2.211 -2.758 3.790) 5.182 4.519 ( 0.398 0.431 2.878) 2.937 4.520 ( -3.403 1.872 0.934) 3.994 4.538 ( 1.225 4.511 1.572) 4.931 4.696 ( 4.065 -4.226 -2.515) 6.380 4.766 ( 2.858 -0.958 -0.735) 3.103 4.818 ( 1.065 -4.730 3.632) 6.058 4.921 ( -2.619 -1.163 2.328) 3.692 4.971 ( 1.364 -4.650 -0.259) 4.852 5.153 ( 3.040 2.117 -3.405) 5.031 5.218 ( 1.867 -3.645 -5.138) 6.570 5.373 ( -0.349 7.004 -4.955) 8.587 5.517 ( -1.421 -5.450 -9.052) 10.661 5.815 ( -0.799 0.930 1.930) 2.287 5.874 ( -1.800 -3.794 0.964) 4.308 6.425 ( -0.686 2.941 -0.383) 3.045 6.462 ( 1.008 -0.746 -1.493) 1.950 6.548 ( -1.321 4.998 -1.486) 5.379 6.630 ( -0.729 -2.385 -2.739) 3.704 7.120 ( 0.048 0.647 2.391) 2.478 7.143 ( -0.254 -1.287 4.927) 5.098 7.341 ( 0.288 9.133 -1.721) 9.298 7.552 ( 0.118 -10.965 -3.089) 11.392 7.933 ( -1.114 3.814 0.466) 4.001 8.010 ( -1.313 -3.204 -1.729) 3.870 8.201 ( 0.856 1.932 -1.622) 2.664 8.250 ( 0.854 -3.086 -2.554) 4.096 8.509 ( -0.588 4.020 -0.204) 4.068 8.533 ( 0.316 0.928 0.011) 0.980 8.636 ( 0.572 -1.978 0.757) 2.194 8.679 ( 0.228 -4.764 -0.207) 4.774 9.179 ( -0.668 0.759 -0.988) 1.413 9.200 ( -0.660 -1.269 -1.175) 1.851 9.374 ( 0.603 1.282 2.149) 2.574 9.396 ( 1.807 -0.884 2.267) 3.031 10.364 ( 0.051 -1.953 0.136) 1.959 10.369 ( -0.108 -2.343 -0.000) 2.345 10.787 ( -0.040 2.519 0.531) 2.575 10.816 ( -0.204 0.946 -0.534) 1.105 10.855 ( 0.960 2.962 0.083) 3.115 10.936 ( 0.753 -3.331 -2.010) 3.962 11.093 ( -0.811 1.910 0.273) 2.093 11.126 ( -0.501 -1.113 -0.708) 1.411 11.529 ( -0.752 1.842 0.023) 1.990 11.555 ( -0.139 -0.729 0.927) 1.188 11.631 ( -0.032 1.973 -1.575) 2.525 11.674 ( -0.201 -1.982 -1.625) 2.571 12.529 ( 0.195 1.587 0.405) 1.649 12.557 ( 0.327 -1.124 0.708) 1.368 12.650 ( 0.193 1.869 -2.384) 3.036 12.691 ( -0.125 -1.960 -1.795) 2.661 14.166 ( 0.074 0.475 0.697) 0.847 14.180 ( -0.330 -0.803 0.060) 0.870 14.398 ( -0.662 0.965 -1.953) 2.277 14.422 ( 0.015 -1.235 -2.482) 2.772 14.604 ( -0.785 1.250 1.679) 2.235 14.640 ( -0.778 -1.969 0.914) 2.306 14.777 ( 1.423 1.674 0.222) 2.208 14.799 ( 0.878 -0.423 0.231) 1.002 15.496 ( 0.071 -0.216 -0.884) 0.913 15.499 ( 0.148 -0.535 -0.805) 0.978 15.666 ( -0.518 0.409 -0.888) 1.107 15.667 ( -0.269 0.255 -0.977) 1.045 16.059 ( 0.490 -0.371 0.863) 1.060 16.067 ( 0.112 -1.140 0.828) 1.413 16.321 ( 0.122 1.127 1.700) 2.043 16.336 ( -0.177 -0.254 1.877) 1.902 16.670 ( 0.009 -0.217 1.069) 1.091 16.675 ( 0.494 -0.574 1.099) 1.335 16.954 ( -0.173 3.636 1.391) 3.897 16.991 ( -0.331 -0.139 -0.043) 0.361 17.102 ( -1.623 0.222 -0.247) 1.657 17.129 ( -1.667 -2.009 -0.630) 2.685 17.179 ( 0.341 0.446 1.901) 1.982 17.197 ( 1.131 -1.290 2.129) 2.734 18.324 ( -0.432 2.260 0.921) 2.478 18.369 ( 0.018 -2.005 -0.137) 2.009 18.561 ( 2.599 1.188 0.753) 2.955 18.605 ( 0.108 -2.522 1.797) 3.099 18.685 ( -2.035 3.442 -0.339) 4.013 18.759 ( -0.589 -2.557 -0.391) 2.653 18.837 ( -0.592 0.702 -1.152) 1.473 18.865 ( 1.056 -1.546 -0.731) 2.010 27.743 ( 0.146 1.168 -0.025) 1.177 27.773 ( 0.129 -0.579 -1.098) 1.248 27.832 ( -0.222 0.122 1.300) 1.324 27.890 ( -0.035 -4.103 -0.338) 4.117 28.068 ( 0.097 0.122 0.362) 0.395 28.072 ( -0.046 -0.217 0.590) 0.631 28.156 ( -0.029 0.399 -1.315) 1.375 28.173 ( 0.240 -1.184 -1.341) 1.805 29.065 ( 0.568 8.664 0.394) 8.692 29.132 ( -1.122 7.121 -1.650) 7.395 29.228 ( 0.695 -1.268 1.422) 2.028 29.268 ( -0.632 -0.853 -0.045) 1.063 29.414 ( 0.335 1.840 -0.138) 1.875 29.429 ( 0.661 1.553 -0.133) 1.693 29.479 ( -0.154 -1.346 2.381) 2.740 29.485 ( 1.110 -2.466 1.786) 3.241 29.923 ( 2.658 1.287 5.674) 6.397 29.978 ( 3.321 -3.592 9.817) 10.968 30.186 ( -0.633 6.653 -0.102) 6.684 30.328 ( -0.588 -7.031 -0.157) 7.058 30.769 ( -1.172 11.034 -0.720) 11.119 30.929 ( 1.495 -0.469 -3.658) 3.980 30.986 ( 0.222 -1.712 -3.927) 4.289 31.002 ( -2.572 -5.338 -2.157) 6.306 31.390 ( 8.043 4.916 -3.678) 10.119 31.496 ( 4.213 -5.101 -4.231) 7.853 31.705 ( -8.094 -0.351 2.329) 8.430 31.753 ( -7.775 -4.863 1.475) 9.288 32.611 ( 0.985 4.522 4.371) 6.366 32.719 ( 1.427 -5.703 3.552) 6.869 33.087 ( 1.592 1.708 -7.037) 7.414 33.135 ( -2.508 -2.884 -5.115) 6.385 ======================= Grid point 51 (29/48) ======================= q-point: (-0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -4.975 12.335 3.430) 13.736 1.394 ( -2.126 -2.201 4.581) 5.509 1.431 ( -5.741 6.183 -6.629) 10.730 1.490 ( -1.168 -1.157 -4.634) 4.917 1.605 ( 0.460 2.105 -7.008) 7.331 1.722 ( -0.967 -5.480 -0.938) 5.643 1.773 ( -3.363 4.213 -3.053) 6.196 1.851 ( -3.026 0.816 -4.681) 5.633 1.925 ( -1.689 -5.874 -3.207) 6.902 1.977 ( -5.044 -6.661 -0.977) 8.413 2.070 ( 0.283 -1.031 2.225) 2.469 2.084 ( 0.711 -1.537 0.206) 1.706 2.249 ( -1.354 8.839 7.012) 11.363 2.320 ( 4.031 4.082 5.634) 8.040 2.392 ( 4.503 -3.071 0.679) 5.493 2.435 ( 2.119 -2.140 2.123) 3.685 2.550 ( -1.803 4.178 -5.626) 7.236 2.656 ( -0.137 -5.613 -3.926) 6.851 2.781 ( -4.257 6.987 2.183) 8.468 2.818 ( -0.130 2.405 -2.389) 3.393 2.921 ( 1.597 6.429 3.962) 7.719 3.047 ( -4.676 1.582 0.141) 4.939 3.071 ( -3.792 -1.648 1.163) 4.295 3.085 ( 1.101 -8.174 3.901) 9.124 3.239 ( -3.749 5.534 8.431) 10.759 3.340 ( -2.497 -1.921 2.612) 4.093 3.349 ( 5.447 2.587 2.379) 6.482 3.427 ( 2.636 -0.743 -2.430) 3.662 3.506 ( 4.500 0.861 -1.557) 4.839 3.566 ( 7.255 -2.082 4.815) 8.953 3.688 ( 7.041 2.723 -4.892) 8.996 3.755 ( 2.006 -0.390 -4.006) 4.497 3.882 ( 3.831 3.513 -0.114) 5.199 3.967 ( -0.292 -3.002 1.090) 3.207 3.982 ( 3.744 3.468 5.818) 7.739 4.051 ( -1.479 3.947 2.364) 4.832 4.075 ( 1.031 -3.655 -0.238) 3.805 4.175 ( -0.287 5.833 0.097) 5.840 4.215 ( -1.445 -7.160 3.403) 8.058 4.283 ( -0.763 -2.660 2.836) 3.962 4.353 ( -0.244 1.288 2.684) 2.987 4.429 ( -3.789 -0.532 -0.873) 3.924 4.508 ( 1.023 2.230 4.351) 4.995 4.553 ( 1.943 -1.312 1.479) 2.772 4.600 ( 5.765 7.632 -1.591) 9.696 4.756 ( 0.178 2.387 0.541) 2.454 4.805 ( 0.706 -4.924 0.341) 4.986 4.828 ( 1.572 -7.106 1.146) 7.368 4.913 ( 0.324 2.550 3.034) 3.976 5.027 ( 4.382 -7.778 1.407) 9.038 5.188 ( 0.764 2.495 -2.509) 3.620 5.249 ( 1.411 -2.395 -3.703) 4.631 5.357 ( -0.556 5.916 -5.864) 8.349 5.489 ( -0.801 -5.161 -10.635) 11.849 5.808 ( -0.103 0.141 2.788) 2.794 5.851 ( -0.447 -3.190 1.967) 3.774 6.390 ( -2.403 2.901 -1.682) 4.126 6.431 ( -3.342 -1.120 -2.044) 4.074 6.524 ( -1.397 4.160 -2.036) 4.838 6.597 ( -2.848 -2.387 -2.414) 4.431 7.092 ( -2.371 0.843 2.615) 3.629 7.114 ( -2.219 -1.115 4.210) 4.887 7.315 ( -2.715 8.122 -1.549) 8.703 7.499 ( -5.214 -9.305 -3.440) 11.208 7.944 ( 1.903 3.619 -0.316) 4.101 8.011 ( 1.439 -2.336 -2.180) 3.504 8.197 ( -1.308 1.763 -0.988) 2.407 8.237 ( -2.045 -2.234 -1.744) 3.495 8.516 ( 1.243 4.382 -0.166) 4.558 8.561 ( 2.246 -0.617 -0.639) 2.415 8.656 ( 1.232 -1.842 1.309) 2.574 8.695 ( 1.159 -4.633 -0.326) 4.787 9.160 ( -0.905 0.729 -0.897) 1.468 9.182 ( -0.849 -1.394 -0.808) 1.821 9.380 ( -0.144 2.316 2.146) 3.161 9.427 ( 1.063 -2.376 3.076) 4.030 10.376 ( 1.150 -1.786 -0.005) 2.124 10.382 ( 1.344 -2.296 -0.052) 2.661 10.786 ( 0.032 2.468 0.340) 2.491 10.807 ( -0.612 1.633 -0.501) 1.814 10.875 ( 0.937 2.139 0.343) 2.361 10.945 ( 0.195 -2.885 -2.276) 3.679 11.054 ( -2.871 1.201 0.614) 3.172 11.083 ( -3.518 -0.973 -0.714) 3.719 11.529 ( 0.687 2.366 -0.276) 2.479 11.570 ( 1.430 -1.690 0.304) 2.235 11.635 ( 0.629 1.871 -1.599) 2.540 11.676 ( 0.436 -1.917 -1.690) 2.593 12.533 ( 0.125 1.624 0.448) 1.689 12.562 ( 0.123 -1.131 0.854) 1.422 12.650 ( -0.069 1.657 -2.282) 2.822 12.686 ( -0.237 -1.769 -1.751) 2.500 14.164 ( -0.327 0.424 0.780) 0.946 14.175 ( -0.094 -0.637 -0.076) 0.648 14.398 ( 0.689 1.205 -2.417) 2.787 14.430 ( 0.896 -1.917 -2.391) 3.193 14.587 ( -0.937 1.194 1.062) 1.852 14.617 ( -1.425 -1.468 0.556) 2.120 14.781 ( -1.128 1.008 0.456) 1.580 14.793 ( -1.509 -0.098 0.795) 1.708 15.503 ( 0.947 0.309 -0.949) 1.376 15.519 ( 1.531 -1.164 -0.828) 2.094 15.655 ( -0.489 0.556 -1.026) 1.266 15.660 ( -0.450 0.103 -0.945) 1.052 16.064 ( -0.015 -0.590 0.684) 0.904 16.068 ( -0.025 -0.944 0.924) 1.321 16.310 ( -1.348 0.850 1.492) 2.184 16.320 ( -1.448 -0.218 1.600) 2.169 16.665 ( -0.490 0.686 1.020) 1.323 16.680 ( -0.095 -0.684 0.883) 1.121 16.949 ( -0.218 3.596 1.184) 3.792 16.996 ( 0.774 -0.957 0.207) 1.248 17.082 ( -0.248 -0.268 0.613) 0.713 17.096 ( -1.504 -1.427 -0.343) 2.101 17.201 ( 1.677 1.244 1.810) 2.763 17.232 ( 2.054 -1.656 2.510) 3.641 18.319 ( 0.090 1.800 0.417) 1.850 18.361 ( -0.879 -2.511 0.322) 2.680 18.596 ( -1.872 2.827 3.294) 4.727 18.616 ( 2.625 1.073 0.970) 2.997 18.667 ( 0.135 1.097 -1.815) 2.125 18.749 ( 0.682 -4.520 -1.340) 4.764 18.837 ( 0.205 2.386 -1.195) 2.676 18.886 ( 1.152 -2.331 -0.163) 2.605 27.743 ( -0.144 1.173 -0.022) 1.182 27.774 ( 0.015 -0.616 -1.273) 1.414 27.831 ( 0.012 0.251 1.352) 1.375 27.891 ( 0.159 -4.196 -0.397) 4.217 28.071 ( 0.194 0.105 0.444) 0.495 28.074 ( 0.196 -0.078 0.447) 0.494 28.157 ( 0.183 0.753 -1.289) 1.504 28.181 ( 0.581 -1.507 -1.223) 2.026 29.078 ( 0.601 9.192 0.841) 9.250 29.126 ( 0.417 7.363 -1.428) 7.512 29.260 ( 2.261 -2.353 1.716) 3.687 29.279 ( 1.827 -1.600 -0.166) 2.435 29.435 ( 1.599 0.230 -0.013) 1.616 29.461 ( 0.822 -0.902 0.854) 1.489 29.478 ( 1.483 2.210 1.011) 2.847 29.522 ( 2.770 -1.330 2.898) 4.224 29.986 ( 2.990 1.930 5.979) 6.958 30.037 ( 1.815 -2.148 8.435) 8.892 30.219 ( 4.753 3.489 2.306) 6.331 30.331 ( 1.151 -6.424 -0.689) 6.563 30.745 ( -2.010 9.695 -2.480) 10.207 30.919 ( -5.048 -6.120 -4.048) 8.906 30.937 ( -2.425 2.315 -3.469) 4.824 31.010 ( 1.610 -4.353 -2.299) 5.179 31.424 ( -3.912 1.201 -1.237) 4.275 31.484 ( -4.900 -4.141 -2.972) 7.070 31.671 ( 8.258 4.114 1.104) 9.292 31.764 ( 6.745 -4.522 0.080) 8.121 32.606 ( -1.554 4.175 3.650) 5.759 32.708 ( -2.779 -5.567 3.452) 7.115 33.025 ( -7.339 1.373 -5.168) 9.080 33.065 ( -4.304 -2.442 -7.304) 8.822 ======================= Grid point 52 (30/48) ======================= q-point: (-0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -4.864 16.607 9.636) 19.806 1.269 ( -5.288 16.642 3.865) 17.885 1.419 ( 0.381 -5.148 -0.504) 5.186 1.514 ( 2.507 -4.252 -0.105) 4.937 1.586 ( -5.653 -0.774 3.892) 6.907 1.619 ( 1.723 -3.733 0.781) 4.185 1.779 ( -1.469 -0.680 -7.591) 7.761 1.824 ( -1.057 2.469 -2.195) 3.468 1.841 ( -1.004 -2.306 -7.949) 8.337 1.985 ( 3.657 -8.707 -4.860) 10.622 2.064 ( 0.672 2.263 4.212) 4.829 2.137 ( 3.396 -2.283 2.617) 4.857 2.226 ( -0.262 7.086 -0.631) 7.119 2.396 ( 1.191 -1.435 2.081) 2.795 2.415 ( -0.151 3.880 -0.321) 3.896 2.472 ( 0.118 -3.745 2.730) 4.636 2.562 ( 2.771 5.284 -5.810) 8.328 2.676 ( 0.915 -3.592 -5.256) 6.432 2.685 ( -4.108 13.532 6.289) 15.477 2.842 ( 0.965 1.523 -0.679) 1.927 2.907 ( -4.277 0.252 2.013) 4.734 2.980 ( -1.083 -4.113 4.484) 6.180 3.013 ( 0.382 -3.120 0.678) 3.215 3.090 ( -2.971 -7.682 8.560) 11.879 3.152 ( -4.377 2.748 7.160) 8.831 3.249 ( -3.580 -4.438 5.346) 7.816 3.478 ( 4.402 3.061 -3.198) 6.243 3.514 ( 6.222 1.214 -1.333) 6.478 3.576 ( 2.474 3.421 0.528) 4.255 3.691 ( 4.653 -3.528 2.900) 6.519 3.778 ( 1.328 3.848 -3.481) 5.356 3.827 ( 5.314 -1.931 -8.044) 9.832 3.946 ( 0.531 1.429 2.797) 3.185 3.978 ( 2.137 0.290 1.350) 2.545 4.005 ( -1.067 7.955 -0.434) 8.038 4.045 ( 1.263 5.179 6.402) 8.331 4.145 ( 3.502 1.692 -0.842) 3.980 4.203 ( 4.043 -7.003 3.783) 8.928 4.227 ( 3.105 -5.053 -2.021) 6.266 4.285 ( 1.061 -0.432 0.075) 1.148 4.333 ( -1.066 -3.062 3.146) 4.517 4.353 ( -3.843 2.211 -1.620) 4.721 4.526 ( 0.532 2.547 2.588) 3.670 4.585 ( 1.286 -2.759 1.143) 3.252 4.667 ( -1.997 6.023 -0.639) 6.377 4.739 ( -0.979 3.015 3.357) 4.617 4.770 ( -3.722 -4.335 2.380) 6.189 4.854 ( -0.424 -6.753 2.274) 7.138 4.941 ( 3.570 7.156 -1.873) 8.214 5.120 ( 4.517 -8.248 -0.566) 9.421 5.194 ( 0.123 4.174 -5.797) 7.144 5.263 ( 0.086 -1.049 -2.488) 2.701 5.355 ( 0.287 2.634 -6.619) 7.130 5.479 ( 0.842 -6.273 -8.840) 10.872 5.822 ( 1.894 0.732 3.789) 4.298 5.865 ( 1.623 -2.809 3.855) 5.039 6.340 ( -2.868 2.218 -2.242) 4.262 6.364 ( -2.746 -0.222 -2.114) 3.473 6.487 ( -1.606 2.217 -3.050) 4.098 6.520 ( -3.998 -0.815 -2.468) 4.769 7.062 ( -0.120 1.798 2.448) 3.040 7.096 ( 0.609 -1.383 2.305) 2.756 7.244 ( -4.196 5.168 -0.907) 6.718 7.361 ( -8.160 -5.836 -2.688) 10.386 7.985 ( 1.811 3.520 -0.508) 3.991 8.049 ( 2.052 -2.122 -2.298) 3.741 8.151 ( -3.020 1.677 -0.558) 3.499 8.182 ( -2.795 -1.070 -1.542) 3.367 8.546 ( 1.511 4.957 -0.305) 5.191 8.601 ( 1.582 -0.920 -1.136) 2.154 8.675 ( 0.277 -2.260 1.844) 2.930 8.718 ( 1.272 -5.007 -0.736) 5.218 9.152 ( 0.166 0.800 -0.192) 0.839 9.176 ( 0.341 -1.504 -0.068) 1.544 9.370 ( -0.984 2.493 2.395) 3.594 9.432 ( -0.961 -3.928 3.925) 5.636 10.404 ( 1.450 -1.292 -0.312) 1.967 10.413 ( 1.605 -2.176 -0.207) 2.712 10.786 ( -0.393 2.232 0.139) 2.271 10.798 ( 0.169 1.462 -0.924) 1.738 10.885 ( -0.135 2.140 0.265) 2.160 10.936 ( -1.253 -1.012 -2.948) 3.359 11.003 ( -1.761 -1.317 1.658) 2.754 11.015 ( -2.655 -1.220 0.132) 2.925 11.552 ( 1.501 2.722 -0.894) 3.234 11.596 ( 0.865 -1.375 -0.372) 1.666 11.657 ( 1.607 0.641 -2.076) 2.702 11.686 ( 0.685 -1.733 -1.915) 2.672 12.532 ( -0.250 1.529 0.608) 1.664 12.563 ( -0.053 -1.329 0.777) 1.540 12.646 ( -0.246 1.513 -2.096) 2.596 12.680 ( -0.302 -1.728 -1.691) 2.437 14.158 ( -0.240 0.749 0.663) 1.029 14.175 ( 0.112 -0.839 -0.043) 0.848 14.421 ( 1.855 0.943 -2.953) 3.612 14.449 ( 0.998 -1.785 -2.736) 3.416 14.576 ( -0.113 1.153 0.711) 1.359 14.595 ( -0.591 -0.560 0.399) 0.907 14.738 ( -2.927 0.404 0.714) 3.040 14.745 ( -3.239 -0.208 1.217) 3.466 15.527 ( 1.316 0.623 -1.057) 1.799 15.548 ( 1.241 -1.391 -1.196) 2.215 15.647 ( -0.182 0.599 -0.857) 1.061 15.654 ( 0.071 0.059 -0.662) 0.669 16.063 ( -0.106 -0.427 0.630) 0.768 16.067 ( -0.302 -0.838 0.735) 1.155 16.278 ( -1.711 0.637 0.988) 2.076 16.288 ( -1.515 -0.396 1.051) 1.886 16.655 ( -0.626 1.213 0.550) 1.471 16.673 ( -0.502 -0.683 -0.115) 0.856 16.947 ( -0.119 3.927 0.769) 4.003 17.011 ( 0.367 -2.282 -0.246) 2.325 17.080 ( 0.461 0.344 0.599) 0.830 17.101 ( 1.721 -1.732 2.502) 3.496 17.241 ( 2.174 1.487 3.026) 4.012 17.270 ( 1.456 -1.259 3.559) 4.046 18.326 ( 0.402 0.288 0.163) 0.521 18.338 ( -1.477 -1.058 0.400) 1.860 18.560 ( -1.534 4.473 1.871) 5.085 18.634 ( 0.070 -2.297 -0.594) 2.374 18.694 ( 1.990 3.492 -0.556) 4.057 18.763 ( -0.342 -2.814 1.219) 3.086 18.848 ( 1.183 2.595 -2.158) 3.576 18.914 ( 1.714 -3.454 -0.672) 3.914 27.738 ( -0.269 1.276 -0.113) 1.309 27.773 ( -0.066 -0.904 -1.430) 1.693 27.834 ( 0.183 0.395 1.310) 1.381 27.895 ( 0.213 -4.208 -0.509) 4.244 28.076 ( 0.266 0.171 0.425) 0.530 28.079 ( 0.246 0.016 0.320) 0.404 28.160 ( 0.190 1.027 -1.239) 1.620 28.190 ( 0.296 -1.694 -1.206) 2.101 29.085 ( 0.013 9.277 1.212) 9.356 29.137 ( 0.622 5.595 -1.053) 5.727 29.298 ( 1.576 -1.515 1.946) 2.926 29.339 ( 3.597 -2.633 1.451) 4.688 29.445 ( -0.882 -0.733 1.412) 1.819 29.459 ( -0.235 -0.714 2.359) 2.476 29.540 ( 3.816 4.548 -0.182) 5.939 29.608 ( 5.597 -1.847 1.647) 6.120 30.003 ( -1.704 3.867 3.103) 5.243 30.075 ( 0.946 -3.315 4.421) 5.607 30.344 ( 4.984 -1.079 2.711) 5.776 30.374 ( 2.651 -3.397 -0.653) 4.358 30.652 ( -6.310 5.502 -2.961) 8.880 30.770 ( -7.122 -5.064 -2.622) 9.123 30.894 ( -0.550 5.601 1.361) 5.790 31.037 ( 0.617 -6.115 -2.151) 6.512 31.330 ( -5.395 2.172 -4.986) 7.661 31.424 ( -1.095 -6.584 -0.518) 6.694 31.912 ( 13.616 3.030 1.612) 14.042 31.946 ( 12.399 -0.587 0.943) 12.449 32.569 ( -1.960 1.964 1.106) 2.987 32.627 ( -5.044 -3.702 1.062) 6.346 32.858 ( -8.619 3.312 -3.646) 9.927 32.928 ( -9.018 -3.537 -6.213) 11.508 ======================= Grid point 65 (31/48) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -7.437 0.000 18.488) 19.928 0.946 ( -5.920 0.000 18.101) 19.045 1.176 ( 6.755 0.000 -13.722) 15.295 1.401 ( 0.379 0.000 -15.528) 15.533 1.611 ( 1.951 0.000 3.342) 3.869 1.652 ( 0.106 0.000 -1.101) 1.106 1.877 ( -5.284 0.000 10.663) 11.900 1.929 ( -0.105 0.000 14.529) 14.530 1.983 ( 3.785 0.000 2.120) 4.338 1.999 ( -0.237 0.000 2.676) 2.687 2.016 ( 1.396 0.000 -4.399) 4.615 2.174 ( 2.980 0.000 -7.486) 8.057 2.250 ( 0.958 0.000 5.704) 5.784 2.365 ( 2.363 0.000 -3.872) 4.536 2.422 ( 2.215 0.000 18.129) 18.264 2.615 ( 1.293 0.000 1.166) 1.741 2.636 ( 1.786 0.000 0.967) 2.031 2.794 ( 2.950 0.000 0.042) 2.950 2.831 ( -4.995 0.000 -3.922) 6.351 2.855 ( -7.911 0.000 -2.163) 8.201 2.887 ( -0.448 0.000 -1.747) 1.804 2.958 ( 2.987 0.000 -5.634) 6.377 3.079 ( -0.402 0.000 1.282) 1.344 3.147 ( 3.927 0.000 -10.028) 10.770 3.277 ( -3.872 0.000 -0.082) 3.873 3.329 ( 5.496 0.000 3.964) 6.776 3.331 ( 2.730 0.000 -5.647) 6.273 3.419 ( -7.021 0.000 -6.761) 9.747 3.513 ( -1.337 0.000 5.199) 5.368 3.556 ( 1.736 0.000 3.501) 3.908 3.770 ( -0.605 0.000 2.497) 2.570 3.808 ( -2.169 0.000 -1.410) 2.587 3.848 ( 1.500 0.000 2.565) 2.971 3.884 ( -7.765 0.000 0.975) 7.826 3.950 ( 5.308 0.000 2.722) 5.965 3.984 ( 1.996 0.000 0.684) 2.110 4.079 ( -3.070 0.000 3.538) 4.685 4.169 ( 1.438 0.000 -4.583) 4.803 4.318 ( 7.296 0.000 5.425) 9.092 4.323 ( -5.865 0.000 1.436) 6.038 4.417 ( -1.599 0.000 -0.905) 1.837 4.437 ( 2.729 0.000 -4.721) 5.453 4.550 ( -0.068 0.000 6.857) 6.857 4.607 ( -10.521 0.000 2.116) 10.732 4.709 ( 6.314 0.000 -3.384) 7.164 4.743 ( 5.286 0.000 -3.030) 6.093 4.829 ( -1.141 0.000 -1.402) 1.808 4.889 ( 1.932 0.000 -2.048) 2.816 4.931 ( -1.202 0.000 -3.585) 3.781 4.933 ( 0.212 0.000 -3.389) 3.396 5.123 ( -4.880 0.000 6.134) 7.839 5.270 ( 3.509 0.000 -5.936) 6.895 5.608 ( 2.163 0.000 1.680) 2.738 5.672 ( -3.348 0.000 -3.901) 5.141 5.959 ( -2.490 0.000 4.869) 5.469 6.011 ( -0.826 0.000 1.221) 1.474 6.150 ( 0.468 0.000 -2.743) 2.783 6.163 ( 7.159 0.000 -2.756) 7.671 6.338 ( 0.680 0.000 -0.370) 0.774 6.352 ( -2.269 0.000 -1.826) 2.913 7.056 ( -0.485 0.000 1.598) 1.670 7.086 ( -0.658 0.000 -1.121) 1.300 7.190 ( 0.370 0.000 2.539) 2.566 7.253 ( 1.513 0.000 -3.045) 3.400 7.992 ( 1.418 0.000 3.276) 3.570 8.041 ( 2.465 0.000 1.395) 2.833 8.045 ( -1.285 0.000 -0.921) 1.580 8.088 ( -2.299 0.000 -3.283) 4.008 8.454 ( -0.230 0.000 3.257) 3.265 8.541 ( -0.110 0.000 -4.581) 4.583 8.857 ( -0.957 0.000 1.062) 1.430 8.868 ( 0.314 0.000 -0.003) 0.314 9.164 ( 0.032 0.000 1.718) 1.718 9.206 ( 0.455 0.000 -1.951) 2.004 9.456 ( 3.255 0.000 7.043) 7.758 9.615 ( -4.713 0.000 -7.195) 8.601 10.523 ( -0.357 0.000 0.757) 0.837 10.536 ( 0.595 0.000 -0.338) 0.685 10.721 ( 2.089 0.000 0.441) 2.135 10.731 ( -1.014 0.000 -0.263) 1.048 10.761 ( -1.375 0.000 0.575) 1.490 10.799 ( 0.613 0.000 -2.581) 2.653 11.076 ( 0.655 0.000 1.140) 1.314 11.090 ( -0.870 0.000 -0.016) 0.871 11.482 ( 0.170 0.000 2.940) 2.945 11.547 ( -0.070 0.000 -2.829) 2.829 11.695 ( -2.092 0.000 0.255) 2.108 11.712 ( 0.799 0.000 -1.182) 1.427 12.532 ( -0.244 0.000 2.156) 2.169 12.583 ( 0.201 0.000 -2.359) 2.368 12.611 ( -0.319 0.000 2.940) 2.957 12.677 ( 0.394 0.000 -2.899) 2.926 14.163 ( -1.637 0.000 1.657) 2.329 14.197 ( 2.530 0.000 -1.254) 2.824 14.409 ( 2.990 0.000 -1.063) 3.173 14.413 ( -3.540 0.000 -1.596) 3.883 14.593 ( -1.052 0.000 1.002) 1.453 14.606 ( 2.470 0.000 -0.044) 2.470 14.680 ( -1.726 0.000 0.911) 1.952 14.693 ( 0.304 0.000 -0.409) 0.510 15.547 ( 1.535 0.000 -0.203) 1.548 15.550 ( -2.497 0.000 -0.475) 2.542 15.619 ( 0.495 0.000 0.513) 0.713 15.632 ( 0.054 0.000 -0.531) 0.534 16.079 ( -1.136 0.000 0.420) 1.211 16.085 ( 0.337 0.000 -0.044) 0.340 16.275 ( -0.534 0.000 1.452) 1.547 16.299 ( 0.643 0.000 -0.585) 0.869 16.664 ( 1.067 0.000 0.516) 1.185 16.677 ( -0.349 0.000 -0.764) 0.840 16.866 ( 0.331 0.000 4.598) 4.610 16.964 ( -1.487 0.000 -4.105) 4.366 17.138 ( 1.884 0.000 1.672) 2.519 17.175 ( -0.887 0.000 -1.567) 1.800 17.364 ( -1.660 0.000 2.875) 3.320 17.405 ( 2.169 0.000 -0.865) 2.336 18.329 ( 1.287 0.000 0.471) 1.371 18.341 ( 0.668 0.000 -0.556) 0.869 18.470 ( -2.837 0.000 3.387) 4.418 18.546 ( 2.411 0.000 -3.403) 4.171 18.654 ( 2.734 0.000 0.874) 2.870 18.663 ( -3.209 0.000 0.121) 3.212 18.923 ( 1.315 0.000 1.943) 2.346 18.974 ( -1.797 0.000 -2.556) 3.124 27.735 ( -0.398 0.000 0.690) 0.797 27.756 ( 0.577 0.000 -1.246) 1.373 27.987 ( 0.445 0.000 1.283) 1.358 28.016 ( -0.442 0.000 -1.290) 1.364 28.082 ( 0.012 0.000 1.111) 1.111 28.114 ( 0.131 0.000 -1.808) 1.813 28.128 ( 0.540 0.000 2.431) 2.490 28.183 ( -0.632 0.000 -2.412) 2.494 28.779 ( -0.064 0.000 0.604) 0.607 28.780 ( -0.021 0.000 0.371) 0.372 29.313 ( -0.404 0.000 1.028) 1.105 29.324 ( 0.875 0.000 0.071) 0.878 29.448 ( 0.478 0.000 0.646) 0.804 29.476 ( -1.215 0.000 -1.257) 1.748 29.572 ( 4.499 0.000 2.404) 5.101 29.647 ( -9.141 0.000 -3.654) 9.844 29.971 ( 2.866 0.000 11.018) 11.385 30.170 ( -3.171 0.000 -6.658) 7.375 30.330 ( -13.857 0.000 6.590) 15.344 30.432 ( 8.513 0.000 -2.959) 9.012 30.617 ( 2.370 0.000 8.432) 8.759 30.694 ( -0.246 0.000 7.657) 7.661 30.862 ( 2.610 0.000 -9.563) 9.913 30.891 ( -7.866 0.000 -13.397) 15.536 31.489 ( 0.039 0.000 6.799) 6.799 31.639 ( 1.808 0.000 -6.555) 6.800 32.152 ( 4.056 0.000 7.892) 8.873 32.316 ( 3.300 0.000 -7.141) 7.867 32.544 ( -1.834 0.000 2.475) 3.080 32.612 ( -4.766 0.000 -3.253) 5.770 32.643 ( 13.106 0.000 -0.003) 13.106 32.652 ( -5.269 0.000 -0.656) 5.309 ======================= Grid point 66 (32/48) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 9.634 0.000 8.522) 12.862 0.927 ( 3.484 0.000 17.266) 17.614 1.330 ( 8.994 0.000 -9.422) 13.026 1.428 ( 2.512 0.000 -11.090) 11.371 1.659 ( 0.443 0.000 -3.215) 3.246 1.688 ( 5.839 0.000 2.382) 6.306 1.812 ( -3.415 0.000 6.516) 7.357 1.890 ( -2.339 0.000 5.393) 5.879 1.987 ( -3.456 0.000 1.757) 3.877 2.039 ( 2.288 0.000 3.500) 4.181 2.044 ( 1.420 0.000 -3.657) 3.923 2.183 ( -2.726 0.000 -6.891) 7.411 2.256 ( -0.648 0.000 6.585) 6.617 2.407 ( 0.804 0.000 -3.939) 4.021 2.439 ( -2.420 0.000 8.247) 8.595 2.540 ( -5.716 0.000 2.851) 6.387 2.610 ( -1.208 0.000 7.458) 7.556 2.728 ( -5.044 0.000 -9.312) 10.591 2.729 ( -3.978 0.000 5.703) 6.954 2.787 ( -3.055 0.000 -6.212) 6.923 2.807 ( -5.489 0.000 -2.874) 6.196 3.036 ( 4.671 0.000 0.152) 4.674 3.068 ( -1.303 0.000 -3.772) 3.991 3.208 ( 2.788 0.000 -3.875) 4.774 3.226 ( 0.134 0.000 2.398) 2.402 3.305 ( -4.998 0.000 -1.744) 5.293 3.377 ( -1.095 0.000 -7.859) 7.935 3.462 ( 3.178 0.000 11.407) 11.841 3.485 ( -2.388 0.000 -1.058) 2.612 3.586 ( 0.219 0.000 4.866) 4.870 3.725 ( -5.307 0.000 5.801) 7.862 3.757 ( -0.530 0.000 -7.238) 7.257 3.791 ( 2.862 0.000 0.098) 2.864 3.838 ( -1.580 0.000 4.230) 4.515 3.979 ( -5.533 0.000 4.891) 7.385 4.006 ( 1.469 0.000 -2.527) 2.923 4.064 ( 5.527 0.000 2.656) 6.132 4.194 ( -2.251 0.000 -8.469) 8.763 4.270 ( 3.455 0.000 2.252) 4.124 4.387 ( -0.326 0.000 4.170) 4.183 4.409 ( 0.788 0.000 0.067) 0.791 4.475 ( -3.106 0.000 -0.981) 3.257 4.492 ( 0.133 0.000 1.600) 1.605 4.563 ( 2.375 0.000 4.153) 4.785 4.769 ( -3.528 0.000 -3.826) 5.205 4.778 ( -2.466 0.000 -5.092) 5.658 4.838 ( 3.715 0.000 -3.223) 4.918 4.875 ( -0.198 0.000 0.635) 0.665 4.932 ( 0.974 0.000 -1.503) 1.792 4.934 ( -0.010 0.000 -1.653) 1.653 5.025 ( -4.805 0.000 7.531) 8.933 5.317 ( 1.380 0.000 -4.304) 4.520 5.552 ( -6.836 0.000 0.693) 6.871 5.619 ( -1.551 0.000 1.906) 2.457 5.887 ( -2.653 0.000 3.674) 4.532 5.984 ( -0.692 0.000 -2.130) 2.239 6.214 ( 5.330 0.000 -1.560) 5.554 6.284 ( 2.265 0.000 -3.109) 3.846 6.330 ( -0.357 0.000 -0.890) 0.959 6.458 ( 9.519 0.000 -4.302) 10.446 7.039 ( 0.114 0.000 1.674) 1.678 7.070 ( -0.160 0.000 -0.547) 0.570 7.246 ( 4.057 0.000 4.034) 5.721 7.413 ( 11.915 0.000 -9.425) 15.192 8.010 ( 0.005 0.000 3.615) 3.615 8.051 ( -1.186 0.000 -3.989) 4.162 8.065 ( 3.191 0.000 -3.305) 4.594 8.096 ( 2.609 0.000 2.656) 3.723 8.450 ( -0.388 0.000 3.528) 3.549 8.538 ( 0.123 0.000 -4.083) 4.085 8.822 ( -2.396 0.000 1.594) 2.878 8.850 ( -2.040 0.000 0.196) 2.049 9.171 ( 0.538 0.000 1.271) 1.380 9.212 ( -0.071 0.000 -2.223) 2.224 9.477 ( -7.086 0.000 -3.395) 7.858 9.493 ( 0.025 0.000 6.966) 6.966 10.514 ( -0.597 0.000 0.694) 0.915 10.547 ( 0.332 0.000 -0.603) 0.688 10.707 ( -0.916 0.000 -1.058) 1.399 10.746 ( -0.237 0.000 0.901) 0.932 10.755 ( 1.262 0.000 0.753) 1.470 10.809 ( 0.296 0.000 -2.253) 2.272 11.080 ( 0.094 0.000 -0.037) 0.101 11.098 ( 1.557 0.000 1.008) 1.855 11.488 ( 0.282 0.000 2.796) 2.810 11.546 ( 0.157 0.000 -2.867) 2.871 11.651 ( -1.980 0.000 2.188) 2.951 11.716 ( -0.453 0.000 -1.066) 1.158 12.520 ( -0.894 0.000 1.755) 1.969 12.566 ( -1.330 0.000 -2.053) 2.446 12.609 ( 0.006 0.000 3.029) 3.029 12.689 ( 0.696 0.000 -3.400) 3.470 14.147 ( 0.110 0.000 1.055) 1.061 14.239 ( 1.198 0.000 -0.698) 1.386 14.360 ( -1.619 0.000 -2.604) 3.067 14.450 ( 0.068 0.000 -0.173) 0.186 14.575 ( -0.004 0.000 -0.502) 0.502 14.643 ( 1.351 0.000 -0.387) 1.405 14.683 ( 1.866 0.000 1.855) 2.631 14.727 ( 2.713 0.000 0.220) 2.722 15.495 ( -2.481 0.000 0.121) 2.484 15.556 ( -0.683 0.000 0.225) 0.719 15.636 ( 0.981 0.000 0.080) 0.985 15.639 ( 0.712 0.000 -0.751) 1.035 16.074 ( 0.495 0.000 1.008) 1.123 16.098 ( 0.868 0.000 0.431) 0.969 16.284 ( 1.309 0.000 1.523) 2.008 16.326 ( 1.795 0.000 -0.562) 1.881 16.676 ( 0.271 0.000 -1.021) 1.057 16.687 ( 1.137 0.000 -0.320) 1.181 16.886 ( 1.304 0.000 5.460) 5.614 16.942 ( -0.471 0.000 -2.835) 2.874 17.147 ( -1.722 0.000 -2.266) 2.846 17.168 ( 1.193 0.000 0.452) 1.276 17.303 ( -4.199 0.000 1.457) 4.445 17.369 ( -4.640 0.000 1.135) 4.777 18.339 ( -1.555 0.000 -0.511) 1.637 18.367 ( 1.652 0.000 0.166) 1.660 18.501 ( 5.930 0.000 -0.381) 5.943 18.536 ( -2.917 0.000 -1.541) 3.299 18.669 ( 3.621 0.000 -1.602) 3.959 18.703 ( 2.129 0.000 1.503) 2.606 18.917 ( -3.575 0.000 -1.708) 3.962 18.926 ( -1.252 0.000 2.063) 2.413 27.732 ( 0.101 0.000 0.609) 0.617 27.763 ( 0.169 0.000 -0.997) 1.011 27.993 ( -0.020 0.000 1.143) 1.143 28.004 ( -0.675 0.000 -1.026) 1.228 28.086 ( 0.324 0.000 0.772) 0.838 28.117 ( 0.239 0.000 -1.802) 1.817 28.136 ( 0.051 0.000 2.512) 2.513 28.168 ( -0.647 0.000 -2.364) 2.451 28.774 ( -0.363 0.000 0.646) 0.741 28.777 ( -0.343 0.000 0.348) 0.489 29.276 ( -3.005 0.000 0.853) 3.124 29.309 ( -2.697 0.000 -0.792) 2.811 29.429 ( -6.468 0.000 3.997) 7.603 29.452 ( -1.309 0.000 -1.291) 1.839 29.467 ( -1.513 0.000 2.843) 3.220 29.648 ( 2.515 0.000 3.500) 4.310 30.018 ( -0.099 0.000 5.619) 5.620 30.067 ( -5.671 0.000 -4.712) 7.373 30.172 ( -1.125 0.000 9.976) 10.039 30.539 ( 1.452 0.000 -1.242) 1.911 30.642 ( 0.221 0.000 9.238) 9.241 30.769 ( -3.535 0.000 -10.447) 11.029 30.799 ( 8.200 0.000 9.401) 12.475 30.974 ( 7.640 0.000 -6.724) 10.177 31.453 ( -2.565 0.000 2.557) 3.622 31.551 ( -9.442 0.000 -6.061) 11.220 32.074 ( -9.853 0.000 -2.517) 10.169 32.185 ( -9.494 0.000 -5.342) 10.894 32.573 ( 5.274 0.000 7.228) 8.947 32.605 ( 4.361 0.000 -2.589) 5.072 32.691 ( 6.246 0.000 0.215) 6.250 33.002 ( 14.925 0.000 -9.373) 17.624 ======================= Grid point 67 (33/48) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 14.331 0.000 -6.308) 15.658 1.076 ( 9.222 0.000 8.379) 12.460 1.468 ( 1.123 0.000 -1.943) 2.244 1.477 ( 6.069 0.000 -4.398) 7.496 1.646 ( -8.656 0.000 2.497) 9.009 1.658 ( -1.047 0.000 -4.735) 4.849 1.804 ( 5.779 0.000 2.755) 6.402 1.849 ( -9.173 0.000 -0.635) 9.195 1.973 ( -0.080 0.000 0.836) 0.840 2.010 ( -6.199 0.000 1.156) 6.306 2.073 ( 3.070 0.000 -1.091) 3.258 2.141 ( 0.702 0.000 -6.811) 6.847 2.155 ( -2.691 0.000 -3.466) 4.388 2.344 ( -3.851 0.000 -1.935) 4.310 2.447 ( 2.141 0.000 5.004) 5.443 2.498 ( -2.547 0.000 4.291) 4.990 2.579 ( -7.222 0.000 -0.692) 7.256 2.620 ( -6.584 0.000 3.387) 7.404 2.681 ( 5.801 0.000 17.931) 18.846 2.773 ( 2.171 0.000 -6.018) 6.398 2.774 ( 1.016 0.000 -9.719) 9.772 3.028 ( -6.700 0.000 -0.056) 6.700 3.035 ( -2.573 0.000 -2.873) 3.857 3.186 ( 1.545 0.000 1.833) 2.398 3.274 ( 3.764 0.000 3.804) 5.352 3.306 ( -4.618 0.000 -11.560) 12.449 3.320 ( 5.330 0.000 -0.463) 5.350 3.359 ( -6.890 0.000 0.760) 6.932 3.483 ( -2.082 0.000 13.243) 13.406 3.578 ( -3.495 0.000 5.234) 6.293 3.708 ( 5.816 0.000 1.441) 5.992 3.731 ( -6.788 0.000 0.631) 6.817 3.819 ( 3.489 0.000 -8.359) 9.058 3.877 ( 0.537 0.000 4.738) 4.769 3.929 ( 1.524 0.000 3.982) 4.264 4.035 ( 1.232 0.000 -1.332) 1.814 4.145 ( -0.678 0.000 -10.023) 10.046 4.161 ( 2.018 0.000 1.714) 2.647 4.342 ( -3.108 0.000 7.763) 8.362 4.377 ( 5.187 0.000 -0.405) 5.203 4.407 ( -1.193 0.000 1.476) 1.898 4.456 ( -4.453 0.000 1.558) 4.717 4.482 ( 3.560 0.000 -5.466) 6.523 4.542 ( -4.781 0.000 -0.168) 4.784 4.659 ( -3.315 0.000 5.639) 6.542 4.726 ( -1.562 0.000 -3.326) 3.675 4.879 ( -0.300 0.000 2.145) 2.166 4.907 ( 3.001 0.000 -6.074) 6.775 4.928 ( -3.476 0.000 1.045) 3.630 4.933 ( 0.401 0.000 -2.307) 2.342 5.023 ( 6.086 0.000 7.537) 9.687 5.314 ( -1.553 0.000 -3.188) 3.547 5.460 ( -2.555 0.000 2.919) 3.880 5.563 ( -3.551 0.000 -0.552) 3.594 5.860 ( -0.582 0.000 1.464) 1.575 5.970 ( -1.027 0.000 -3.980) 4.110 6.317 ( 1.521 0.000 -1.564) 2.182 6.324 ( 0.154 0.000 1.216) 1.226 6.343 ( 6.725 0.000 -0.798) 6.772 6.571 ( 1.989 0.000 -4.690) 5.094 7.068 ( 2.210 0.000 0.212) 2.220 7.082 ( 1.092 0.000 -0.403) 1.164 7.330 ( 3.993 0.000 7.798) 8.761 7.600 ( 6.640 0.000 -12.933) 14.538 7.987 ( -2.500 0.000 4.545) 5.187 8.033 ( -0.171 0.000 -5.137) 5.139 8.126 ( -0.089 0.000 4.242) 4.243 8.147 ( 4.716 0.000 -6.333) 7.896 8.445 ( -0.173 0.000 3.394) 3.398 8.534 ( -0.583 0.000 -3.169) 3.222 8.779 ( -1.871 0.000 1.606) 2.465 8.804 ( -2.120 0.000 -0.144) 2.125 9.179 ( -0.017 0.000 0.920) 0.920 9.197 ( -0.766 0.000 -2.076) 2.213 9.406 ( 0.106 0.000 -0.351) 0.367 9.468 ( -2.592 0.000 4.964) 5.600 10.502 ( -0.513 0.000 0.892) 1.029 10.541 ( -0.788 0.000 -0.916) 1.208 10.714 ( 1.627 0.000 -1.115) 1.972 10.749 ( 0.485 0.000 0.807) 0.941 10.757 ( -1.428 0.000 2.406) 2.797 10.810 ( 0.197 0.000 -3.146) 3.153 11.097 ( 1.501 0.000 0.201) 1.514 11.129 ( 1.258 0.000 0.194) 1.272 11.494 ( 0.114 0.000 2.566) 2.568 11.549 ( 0.251 0.000 -2.725) 2.737 11.625 ( -0.889 0.000 2.665) 2.809 11.696 ( -1.242 0.000 -1.772) 2.164 12.505 ( -0.595 0.000 1.385) 1.507 12.545 ( -0.605 0.000 -2.269) 2.348 12.615 ( 0.345 0.000 2.795) 2.816 12.694 ( 0.003 0.000 -3.250) 3.250 14.167 ( 1.660 0.000 1.093) 1.987 14.238 ( -1.090 0.000 0.633) 1.260 14.348 ( 0.449 0.000 -3.602) 3.630 14.406 ( -3.417 0.000 -0.337) 3.433 14.606 ( 2.307 0.000 -0.372) 2.337 14.655 ( -0.079 0.000 0.155) 0.174 14.732 ( 2.590 0.000 1.845) 3.180 14.777 ( 1.979 0.000 -0.037) 1.979 15.469 ( -0.112 0.000 -0.399) 0.414 15.526 ( -2.059 0.000 -0.141) 2.064 15.650 ( 0.387 0.000 0.051) 0.391 15.653 ( 0.549 0.000 -0.504) 0.745 16.092 ( 1.147 0.000 1.009) 1.527 16.113 ( 0.569 0.000 0.548) 0.790 16.315 ( 1.398 0.000 1.857) 2.324 16.354 ( 0.949 0.000 -0.404) 1.031 16.687 ( 0.830 0.000 -1.083) 1.364 16.700 ( 0.049 0.000 -0.085) 0.098 16.914 ( 0.998 0.000 5.628) 5.716 16.943 ( 0.658 0.000 -1.247) 1.410 17.117 ( -0.948 0.000 -2.325) 2.511 17.183 ( -0.232 0.000 -1.254) 1.275 17.230 ( -2.219 0.000 0.094) 2.221 17.275 ( -4.384 0.000 2.643) 5.119 18.318 ( 0.131 0.000 -1.286) 1.292 18.360 ( -2.841 0.000 2.586) 3.842 18.523 ( 2.241 0.000 -1.895) 2.934 18.594 ( 2.093 0.000 -0.919) 2.286 18.743 ( 3.522 0.000 -1.283) 3.749 18.751 ( 3.339 0.000 -0.464) 3.371 18.845 ( -3.598 0.000 -0.300) 3.611 18.880 ( -3.282 0.000 1.224) 3.503 27.739 ( 0.503 0.000 0.562) 0.755 27.762 ( -0.281 0.000 -0.135) 0.312 27.988 ( -0.490 0.000 0.979) 1.095 27.994 ( -0.234 0.000 -0.703) 0.741 28.093 ( 0.294 0.000 0.488) 0.570 28.121 ( 0.184 0.000 -1.737) 1.747 28.132 ( -0.566 0.000 2.381) 2.448 28.160 ( 0.067 0.000 -2.266) 2.267 28.768 ( -0.228 0.000 0.550) 0.595 28.770 ( -0.248 0.000 0.245) 0.348 29.218 ( -2.581 0.000 0.964) 2.755 29.240 ( -2.975 0.000 -0.486) 3.015 29.357 ( -0.929 0.000 3.668) 3.783 29.424 ( -1.310 0.000 -1.354) 1.883 29.490 ( 2.208 0.000 3.013) 3.735 29.656 ( -1.822 0.000 1.100) 2.129 29.985 ( -2.093 0.000 -1.154) 2.390 29.993 ( -1.442 0.000 1.444) 2.041 30.233 ( 4.727 0.000 9.816) 10.895 30.515 ( -2.710 0.000 -2.461) 3.660 30.644 ( -0.514 0.000 9.434) 9.448 30.751 ( 1.813 0.000 -7.435) 7.653 30.968 ( 7.739 0.000 8.967) 11.845 31.064 ( 1.741 0.000 -0.951) 1.983 31.343 ( -9.774 0.000 -4.557) 10.784 31.424 ( -0.843 0.000 -6.338) 6.394 31.918 ( -4.344 0.000 -5.815) 7.259 32.000 ( -9.072 0.000 -0.907) 9.117 32.649 ( 1.642 0.000 7.907) 8.076 32.725 ( 6.876 0.000 -6.672) 9.581 32.848 ( 8.200 0.000 3.687) 8.991 33.157 ( 2.243 0.000 -8.930) 9.208 ======================= Grid point 68 (34/48) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -2.809 0.000 -2.208) 3.573 1.212 ( -0.295 0.000 -1.877) 1.900 1.484 ( 4.332 0.000 -2.867) 5.195 1.551 ( -1.983 0.000 2.174) 2.942 1.578 ( -2.910 0.000 -6.361) 6.995 1.604 ( 2.563 0.000 1.861) 3.167 1.791 ( 6.532 0.000 2.053) 6.847 1.851 ( -7.688 0.000 -2.055) 7.958 1.922 ( 2.381 0.000 1.898) 3.044 1.944 ( 1.349 0.000 0.719) 1.528 1.993 ( 2.457 0.000 -1.923) 3.120 2.040 ( -8.997 0.000 -4.588) 10.099 2.268 ( -14.099 0.000 7.359) 15.904 2.393 ( 7.710 0.000 -1.033) 7.779 2.412 ( -4.313 0.000 2.599) 5.035 2.418 ( 8.205 0.000 -0.488) 8.219 2.505 ( -1.642 0.000 2.696) 3.157 2.580 ( 1.082 0.000 4.826) 4.946 2.774 ( -0.297 0.000 -10.018) 10.023 2.774 ( -3.971 0.000 -5.906) 7.117 2.852 ( 9.176 0.000 12.554) 15.550 2.954 ( -0.588 0.000 -0.296) 0.659 2.982 ( 0.790 0.000 -2.989) 3.091 3.178 ( -3.148 0.000 -13.463) 13.826 3.232 ( -4.311 0.000 1.975) 4.742 3.298 ( 5.574 0.000 -3.849) 6.774 3.417 ( 5.427 0.000 5.289) 7.578 3.434 ( -0.531 0.000 12.663) 12.674 3.439 ( 3.600 0.000 2.405) 4.329 3.486 ( -2.970 0.000 2.368) 3.798 3.613 ( -4.090 0.000 2.309) 4.696 3.815 ( -0.245 0.000 -8.772) 8.775 3.853 ( 3.326 0.000 3.111) 4.554 3.860 ( -3.991 0.000 5.528) 6.818 3.932 ( -1.526 0.000 7.264) 7.422 4.094 ( 6.206 0.000 -1.125) 6.307 4.105 ( -3.955 0.000 -2.006) 4.435 4.144 ( 0.041 0.000 -9.682) 9.682 4.316 ( 0.220 0.000 7.675) 7.678 4.369 ( -1.653 0.000 1.243) 2.069 4.391 ( -5.032 0.000 3.514) 6.137 4.450 ( 1.875 0.000 -1.501) 2.402 4.459 ( -1.067 0.000 1.282) 1.668 4.553 ( 2.605 0.000 -4.692) 5.366 4.617 ( -1.783 0.000 6.820) 7.050 4.737 ( 2.723 0.000 -3.460) 4.403 4.847 ( -3.250 0.000 3.666) 4.899 4.908 ( 1.769 0.000 0.466) 1.829 4.920 ( 0.050 0.000 -1.538) 1.539 4.971 ( 2.143 0.000 -7.891) 8.177 5.159 ( 6.126 0.000 4.594) 7.657 5.259 ( -3.518 0.000 -4.266) 5.529 5.450 ( 1.429 0.000 3.683) 3.950 5.506 ( -1.693 0.000 -2.405) 2.942 5.860 ( 0.465 0.000 1.767) 1.827 5.942 ( -1.249 0.000 -4.101) 4.287 6.312 ( -1.217 0.000 0.847) 1.482 6.338 ( 0.590 0.000 -1.397) 1.516 6.466 ( 4.739 0.000 1.235) 4.897 6.542 ( -4.202 0.000 -4.713) 6.314 7.096 ( 0.232 0.000 -0.763) 0.798 7.097 ( 0.210 0.000 -0.560) 0.598 7.386 ( 0.405 0.000 10.415) 10.423 7.635 ( -2.246 0.000 -12.162) 12.368 7.935 ( -2.359 0.000 4.930) 5.465 8.047 ( 1.968 0.000 -4.922) 5.301 8.097 ( -2.784 0.000 4.565) 5.346 8.222 ( 2.815 0.000 -6.897) 7.450 8.450 ( 0.441 0.000 3.307) 3.336 8.517 ( -0.513 0.000 -2.386) 2.441 8.763 ( 0.367 0.000 1.298) 1.349 8.782 ( 0.014 0.000 -0.591) 0.591 9.170 ( -0.801 0.000 0.772) 1.113 9.197 ( 0.613 0.000 -1.719) 1.825 9.413 ( -3.022 0.000 3.189) 4.393 9.451 ( 3.954 0.000 -0.134) 3.957 10.501 ( 0.446 0.000 0.941) 1.041 10.527 ( -0.377 0.000 -1.203) 1.260 10.713 ( -2.773 0.000 2.672) 3.851 10.744 ( 0.744 0.000 1.763) 1.914 10.772 ( 2.045 0.000 -1.820) 2.737 10.811 ( -0.052 0.000 -3.375) 3.376 11.124 ( 0.887 0.000 0.675) 1.115 11.134 ( -1.006 0.000 -0.288) 1.047 11.494 ( -0.251 0.000 2.481) 2.493 11.552 ( 0.155 0.000 -2.598) 2.603 11.622 ( 0.683 0.000 2.658) 2.745 11.677 ( -0.398 0.000 -2.271) 2.306 12.500 ( -0.025 0.000 1.215) 1.216 12.540 ( 0.207 0.000 -2.548) 2.557 12.623 ( 0.292 0.000 2.629) 2.645 12.688 ( -0.304 0.000 -3.027) 3.042 14.201 ( 1.367 0.000 1.667) 2.155 14.209 ( -1.698 0.000 0.599) 1.801 14.347 ( -2.204 0.000 -0.875) 2.372 14.372 ( 2.171 0.000 -3.009) 3.710 14.641 ( 1.081 0.000 0.131) 1.089 14.641 ( -1.320 0.000 0.176) 1.331 14.771 ( 1.032 0.000 1.476) 1.801 14.793 ( -0.403 0.000 -0.477) 0.624 15.488 ( 1.991 0.000 -0.842) 2.162 15.489 ( -1.462 0.000 -0.784) 1.659 15.650 ( -0.399 0.000 0.414) 0.575 15.657 ( -0.097 0.000 -0.080) 0.125 16.113 ( 0.761 0.000 0.740) 1.062 16.117 ( -0.279 0.000 0.281) 0.396 16.332 ( 0.217 0.000 1.954) 1.966 16.361 ( -0.185 0.000 -0.393) 0.435 16.688 ( -1.267 0.000 0.541) 1.378 16.702 ( 0.629 0.000 -0.741) 0.972 16.920 ( -0.699 0.000 4.365) 4.420 16.965 ( 1.560 0.000 -0.240) 1.578 17.118 ( 1.285 0.000 -0.274) 1.314 17.140 ( -2.817 0.000 -1.876) 3.384 17.214 ( -2.017 0.000 1.945) 2.802 17.245 ( 2.462 0.000 -0.624) 2.540 18.304 ( -2.144 0.000 1.954) 2.901 18.348 ( 2.932 0.000 -2.064) 3.585 18.576 ( 2.143 0.000 0.024) 2.143 18.576 ( -3.264 0.000 0.027) 3.264 18.775 ( -3.756 0.000 1.437) 4.022 18.787 ( -0.192 0.000 0.650) 0.677 18.823 ( -0.958 0.000 -1.301) 1.615 18.833 ( 4.710 0.000 -2.019) 5.124 27.749 ( 0.388 0.000 0.593) 0.709 27.754 ( -0.445 0.000 0.225) 0.498 27.978 ( -0.470 0.000 0.901) 1.016 27.995 ( 0.419 0.000 -0.537) 0.681 28.097 ( 0.028 0.000 0.436) 0.437 28.119 ( -0.713 0.000 2.151) 2.266 28.121 ( -0.085 0.000 -1.653) 1.655 28.168 ( 0.828 0.000 -2.206) 2.356 28.766 ( -0.037 0.000 0.459) 0.460 28.769 ( 0.064 0.000 0.176) 0.187 29.190 ( -0.065 0.000 1.112) 1.114 29.211 ( -0.020 0.000 -0.833) 0.833 29.367 ( 1.401 0.000 1.552) 2.091 29.407 ( -0.147 0.000 -1.713) 1.719 29.551 ( 3.847 0.000 3.510) 5.208 29.600 ( -3.236 0.000 -1.127) 3.427 29.974 ( -0.668 0.000 0.553) 0.867 29.977 ( 0.900 0.000 0.269) 0.940 30.337 ( 5.341 0.000 7.686) 9.359 30.456 ( -2.943 0.000 -3.937) 4.916 30.631 ( -1.340 0.000 8.238) 8.347 30.806 ( 3.595 0.000 -7.122) 7.978 31.076 ( 2.344 0.000 5.067) 5.583 31.098 ( 3.120 0.000 1.493) 3.459 31.223 ( -1.438 0.000 -0.458) 1.509 31.376 ( -3.951 0.000 -11.780) 12.425 31.845 ( -6.429 0.000 2.695) 6.971 31.897 ( 1.484 0.000 -2.126) 2.593 32.651 ( -1.645 0.000 6.855) 7.049 32.830 ( 3.846 0.000 -9.680) 10.416 32.972 ( 3.719 0.000 5.870) 6.948 33.112 ( -5.742 0.000 -6.449) 8.635 ======================= Grid point 69 (35/48) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -4.319 0.000 -8.211) 9.278 1.132 ( -6.156 0.000 7.711) 9.867 1.373 ( -12.062 0.000 6.737) 13.816 1.549 ( 1.404 0.000 -7.108) 7.245 1.598 ( -5.966 0.000 -5.077) 7.834 1.649 ( 7.425 0.000 -0.237) 7.429 1.797 ( 5.367 0.000 2.798) 6.052 1.836 ( -8.976 0.000 1.334) 9.075 1.998 ( 1.742 0.000 4.587) 4.907 2.023 ( 3.637 0.000 -3.817) 5.272 2.054 ( 9.952 0.000 -1.096) 10.013 2.087 ( 4.037 0.000 -2.051) 4.528 2.088 ( 2.019 0.000 1.484) 2.506 2.254 ( -2.956 0.000 6.483) 7.125 2.383 ( -5.657 0.000 8.663) 10.347 2.486 ( -2.469 0.000 -0.755) 2.581 2.545 ( -3.261 0.000 5.828) 6.678 2.618 ( 3.934 0.000 5.748) 6.965 2.659 ( -2.202 0.000 1.339) 2.577 2.803 ( 4.061 0.000 -7.964) 8.940 2.965 ( 1.309 0.000 1.931) 2.333 3.029 ( 7.729 0.000 7.047) 10.459 3.116 ( 8.408 0.000 -6.436) 10.589 3.127 ( -2.572 0.000 -17.070) 17.263 3.195 ( 0.493 0.000 0.806) 0.945 3.349 ( -3.238 0.000 4.757) 5.754 3.350 ( -4.363 0.000 -2.734) 5.149 3.410 ( 4.752 0.000 -4.046) 6.241 3.523 ( -0.574 0.000 6.320) 6.346 3.592 ( 6.244 0.000 4.980) 7.987 3.647 ( 8.684 0.000 1.020) 8.744 3.759 ( -4.887 0.000 2.239) 5.375 3.795 ( 0.730 0.000 -5.573) 5.620 3.868 ( -2.194 0.000 0.999) 2.411 3.900 ( -2.287 0.000 9.867) 10.128 4.071 ( 0.137 0.000 -1.712) 1.717 4.108 ( -3.041 0.000 -6.642) 7.305 4.205 ( 1.463 0.000 -3.773) 4.047 4.261 ( -6.465 0.000 6.474) 9.149 4.370 ( 4.822 0.000 3.852) 6.172 4.403 ( 6.919 0.000 3.997) 7.991 4.458 ( -0.830 0.000 -0.253) 0.868 4.472 ( 0.887 0.000 -2.633) 2.778 4.545 ( -3.174 0.000 -0.124) 3.176 4.601 ( -0.299 0.000 7.069) 7.076 4.799 ( 3.013 0.000 -3.445) 4.577 4.821 ( 1.086 0.000 0.592) 1.236 4.924 ( 0.172 0.000 -4.723) 4.726 4.931 ( 0.057 0.000 0.117) 0.131 4.968 ( -2.735 0.000 -3.424) 4.382 5.200 ( -1.450 0.000 -7.136) 7.282 5.227 ( 0.483 0.000 4.473) 4.499 5.506 ( 1.752 0.000 -2.684) 3.205 5.524 ( 5.680 0.000 4.092) 7.001 5.875 ( 0.796 0.000 3.087) 3.188 5.933 ( 0.896 0.000 -3.429) 3.544 6.273 ( -2.895 0.000 1.885) 3.454 6.332 ( -1.684 0.000 -1.388) 2.182 6.429 ( -6.070 0.000 -6.030) 8.556 6.503 ( -1.221 0.000 0.737) 1.426 7.076 ( -1.818 0.000 -0.117) 1.822 7.088 ( -0.813 0.000 -1.298) 1.531 7.344 ( -4.724 0.000 10.173) 11.217 7.524 ( -7.707 0.000 -9.939) 12.577 7.924 ( 0.835 0.000 4.421) 4.499 8.043 ( -2.467 0.000 3.399) 4.200 8.084 ( 1.402 0.000 -3.975) 4.215 8.225 ( -2.290 0.000 -4.627) 5.162 8.460 ( 0.165 0.000 3.366) 3.370 8.524 ( 1.133 0.000 -3.665) 3.836 8.796 ( 2.766 0.000 0.807) 2.881 8.802 ( 1.826 0.000 -0.645) 1.937 9.159 ( -0.108 0.000 1.239) 1.244 9.205 ( 0.137 0.000 -1.478) 1.484 9.369 ( -1.168 0.000 2.716) 2.956 9.544 ( 5.280 0.000 -1.415) 5.466 10.518 ( 0.981 0.000 0.916) 1.342 10.525 ( 0.099 0.000 -1.001) 1.006 10.671 ( -1.201 0.000 2.015) 2.346 10.750 ( -0.116 0.000 2.028) 2.031 10.804 ( -0.417 0.000 -3.346) 3.371 10.805 ( 0.847 0.000 -1.638) 1.844 11.097 ( -2.208 0.000 0.152) 2.213 11.127 ( -0.566 0.000 0.544) 0.785 11.487 ( -0.499 0.000 2.651) 2.697 11.552 ( 0.029 0.000 -2.615) 2.615 11.657 ( 2.556 0.000 1.815) 3.135 11.679 ( 0.591 0.000 -2.194) 2.272 12.507 ( 0.667 0.000 1.271) 1.436 12.547 ( 0.638 0.000 -2.472) 2.553 12.626 ( -0.207 0.000 2.732) 2.740 12.682 ( -0.169 0.000 -3.008) 3.013 14.179 ( -1.242 0.000 -0.173) 1.254 14.212 ( -0.361 0.000 2.735) 2.758 14.330 ( 0.542 0.000 -1.704) 1.788 14.426 ( 3.347 0.000 -2.182) 3.995 14.603 ( -2.550 0.000 -0.184) 2.557 14.644 ( -0.749 0.000 0.954) 1.213 14.765 ( -2.210 0.000 -1.064) 2.453 14.768 ( -1.385 0.000 0.930) 1.668 15.479 ( 0.623 0.000 -1.241) 1.388 15.534 ( 2.442 0.000 -0.907) 2.605 15.638 ( -0.806 0.000 0.702) 1.069 15.650 ( -0.611 0.000 0.205) 0.645 16.104 ( -0.901 0.000 -0.102) 0.906 16.119 ( -0.140 0.000 0.063) 0.154 16.325 ( -1.035 0.000 1.984) 2.238 16.346 ( -1.356 0.000 -0.761) 1.555 16.661 ( -1.220 0.000 1.191) 1.705 16.704 ( -0.443 0.000 -0.424) 0.613 16.897 ( -1.656 0.000 3.378) 3.762 16.999 ( 1.565 0.000 -1.271) 2.016 17.092 ( -1.653 0.000 -0.857) 1.862 17.164 ( 2.716 0.000 0.774) 2.825 17.202 ( 1.306 0.000 2.082) 2.458 17.303 ( 3.274 0.000 0.073) 3.275 18.293 ( 0.868 0.000 1.087) 1.391 18.413 ( 2.632 0.000 -2.107) 3.371 18.495 ( -3.755 0.000 0.190) 3.760 18.576 ( -2.195 0.000 0.548) 2.262 18.699 ( -4.196 0.000 2.410) 4.838 18.760 ( -1.075 0.000 -0.899) 1.401 18.841 ( 1.596 0.000 0.029) 1.596 18.919 ( 4.032 0.000 -1.952) 4.480 27.747 ( -0.241 0.000 -0.011) 0.241 27.751 ( -0.160 0.000 0.680) 0.699 27.973 ( -0.041 0.000 1.011) 1.012 28.007 ( 0.735 0.000 -0.658) 0.986 28.094 ( -0.360 0.000 0.596) 0.696 28.111 ( -0.155 0.000 2.097) 2.103 28.117 ( -0.149 0.000 -1.621) 1.628 28.184 ( 0.743 0.000 -2.229) 2.350 28.768 ( 0.267 0.000 0.471) 0.542 28.772 ( 0.242 0.000 0.193) 0.310 29.219 ( 2.776 0.000 1.253) 3.046 29.234 ( 2.245 0.000 -0.623) 2.330 29.400 ( 1.659 0.000 0.685) 1.795 29.425 ( 2.243 0.000 -2.105) 3.076 29.543 ( -2.437 0.000 -2.003) 3.155 29.638 ( 4.702 0.000 3.277) 5.732 29.962 ( -0.819 0.000 0.991) 1.286 30.019 ( 3.640 0.000 -0.711) 3.709 30.400 ( -2.571 0.000 -5.776) 6.322 30.439 ( 4.453 0.000 4.654) 6.441 30.603 ( -1.763 0.000 5.905) 6.163 30.857 ( 1.609 0.000 -8.945) 9.088 31.059 ( -5.030 0.000 -0.435) 5.049 31.192 ( 2.736 0.000 -3.915) 4.776 31.279 ( -1.639 0.000 -5.786) 6.014 31.288 ( 8.107 0.000 5.698) 9.909 31.786 ( 1.357 0.000 5.677) 5.837 31.948 ( 3.417 0.000 3.213) 4.690 32.604 ( -3.080 0.000 4.515) 5.466 32.847 ( -2.020 0.000 -10.324) 10.519 32.948 ( -10.162 0.000 -5.258) 11.442 32.982 ( -3.251 0.000 6.749) 7.491 ======================= Grid point 70 (36/48) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -11.764 0.000 12.322) 17.036 1.041 ( 1.159 0.000 -9.538) 9.608 1.152 ( -8.760 0.000 9.322) 12.792 1.452 ( -5.074 0.000 -16.765) 17.516 1.585 ( 1.045 0.000 2.813) 3.001 1.684 ( -4.054 0.000 1.198) 4.227 1.843 ( 9.334 0.000 1.862) 9.518 1.907 ( 3.086 0.000 8.763) 9.291 1.939 ( -3.066 0.000 7.879) 8.455 2.004 ( -0.216 0.000 -4.654) 4.659 2.098 ( -6.518 0.000 5.141) 8.302 2.126 ( 2.596 0.000 -5.187) 5.800 2.225 ( -2.140 0.000 14.401) 14.559 2.312 ( 6.047 0.000 -3.233) 6.857 2.348 ( 4.665 0.000 10.626) 11.605 2.486 ( 6.764 0.000 1.064) 6.847 2.565 ( 4.453 0.000 2.745) 5.231 2.705 ( 4.587 0.000 3.777) 5.941 2.724 ( 8.836 0.000 -1.086) 8.903 2.881 ( 3.115 0.000 -6.222) 6.958 2.965 ( -3.496 0.000 2.007) 4.031 3.038 ( -6.647 0.000 -0.248) 6.651 3.080 ( 1.826 0.000 -18.838) 18.926 3.140 ( -3.408 0.000 2.571) 4.269 3.272 ( 3.167 0.000 1.485) 3.498 3.302 ( -0.357 0.000 -3.224) 3.244 3.305 ( -0.280 0.000 0.887) 0.930 3.479 ( 2.269 0.000 -0.685) 2.370 3.553 ( -1.391 0.000 7.494) 7.622 3.626 ( -5.648 0.000 -4.455) 7.193 3.739 ( 4.357 0.000 -2.866) 5.215 3.789 ( 4.761 0.000 -2.657) 5.452 3.798 ( 0.944 0.000 0.892) 1.299 3.872 ( 0.399 0.000 8.952) 8.961 3.891 ( 5.470 0.000 2.353) 5.954 4.019 ( -5.623 0.000 -3.139) 6.440 4.091 ( 1.158 0.000 2.076) 2.377 4.185 ( -1.664 0.000 -7.171) 7.361 4.200 ( 1.276 0.000 7.004) 7.119 4.431 ( -0.831 0.000 -1.892) 2.066 4.445 ( -6.029 0.000 3.068) 6.764 4.454 ( -1.612 0.000 -1.236) 2.031 4.488 ( 5.867 0.000 0.209) 5.871 4.599 ( 9.007 0.000 2.831) 9.441 4.614 ( 2.006 0.000 4.098) 4.562 4.821 ( -5.715 0.000 3.530) 6.717 4.845 ( -3.608 0.000 -8.230) 8.986 4.874 ( 2.450 0.000 -3.898) 4.604 4.917 ( -0.169 0.000 1.291) 1.302 4.932 ( 0.024 0.000 -3.229) 3.229 5.199 ( -3.176 0.000 5.830) 6.639 5.208 ( 2.519 0.000 -7.331) 7.752 5.555 ( 2.959 0.000 -0.942) 3.106 5.645 ( 5.473 0.000 0.836) 5.536 5.901 ( 2.532 0.000 4.654) 5.298 5.975 ( 3.156 0.000 -1.999) 3.736 6.204 ( -4.126 0.000 2.058) 4.611 6.230 ( -7.751 0.000 -3.452) 8.485 6.355 ( -1.691 0.000 -2.683) 3.172 6.431 ( -5.159 0.000 -1.192) 5.295 7.049 ( -0.396 0.000 1.194) 1.258 7.080 ( 0.403 0.000 -1.968) 2.009 7.245 ( -5.145 0.000 6.280) 8.118 7.354 ( -8.611 0.000 -5.902) 10.440 7.956 ( 1.915 0.000 3.780) 4.237 8.017 ( -0.224 0.000 1.713) 1.728 8.083 ( -1.378 0.000 -2.798) 3.119 8.151 ( -4.140 0.000 -2.376) 4.773 8.458 ( -0.365 0.000 3.132) 3.153 8.540 ( 0.565 0.000 -4.611) 4.646 8.842 ( 2.050 0.000 -0.373) 2.083 8.848 ( 1.902 0.000 0.499) 1.967 9.163 ( 0.136 0.000 1.921) 1.926 9.203 ( -0.054 0.000 -1.587) 1.588 9.385 ( 2.696 0.000 4.501) 5.246 9.631 ( 2.933 0.000 -5.060) 5.848 10.528 ( 0.217 0.000 -0.291) 0.363 10.528 ( -0.051 0.000 0.809) 0.811 10.679 ( 1.769 0.000 0.952) 2.009 10.744 ( -0.474 0.000 1.187) 1.278 10.794 ( -1.644 0.000 -0.461) 1.707 10.795 ( -0.120 0.000 -3.069) 3.072 11.071 ( -0.338 0.000 0.796) 0.865 11.109 ( -1.087 0.000 0.108) 1.093 11.481 ( -0.265 0.000 2.871) 2.883 11.550 ( -0.071 0.000 -2.712) 2.713 11.693 ( 0.986 0.000 -1.803) 2.055 11.703 ( 1.455 0.000 0.023) 1.455 12.524 ( 0.827 0.000 1.763) 1.947 12.565 ( 1.271 0.000 -2.207) 2.547 12.619 ( -0.584 0.000 2.862) 2.921 12.678 ( -0.111 0.000 -2.932) 2.934 14.168 ( 0.352 0.000 -0.880) 0.947 14.195 ( -1.440 0.000 2.674) 3.037 14.358 ( 2.207 0.000 -1.727) 2.802 14.470 ( -0.435 0.000 -2.328) 2.368 14.564 ( 0.174 0.000 0.473) 0.504 14.618 ( -1.655 0.000 1.596) 2.299 14.717 ( -2.306 0.000 -1.180) 2.590 14.727 ( -2.613 0.000 0.504) 2.661 15.508 ( 2.134 0.000 -1.025) 2.367 15.568 ( 0.745 0.000 -0.906) 1.173 15.622 ( -0.722 0.000 0.656) 0.975 15.637 ( -0.561 0.000 0.003) 0.561 16.088 ( -0.616 0.000 -0.287) 0.680 16.106 ( -1.202 0.000 -0.422) 1.274 16.298 ( -1.647 0.000 1.801) 2.440 16.312 ( -1.749 0.000 -0.866) 1.952 16.651 ( 0.145 0.000 1.462) 1.469 16.690 ( -0.814 0.000 -0.516) 0.963 16.870 ( -1.025 0.000 3.680) 3.820 16.998 ( -1.409 0.000 -4.405) 4.625 17.097 ( 1.852 0.000 2.074) 2.781 17.183 ( 0.091 0.000 -0.896) 0.901 17.298 ( 6.957 0.000 2.194) 7.295 17.358 ( 1.923 0.000 1.902) 2.705 18.324 ( 1.610 0.000 0.676) 1.746 18.365 ( -4.401 0.000 -0.054) 4.401 18.506 ( 1.026 0.000 1.314) 1.667 18.528 ( -1.343 0.000 -2.195) 2.573 18.630 ( -1.791 0.000 1.703) 2.472 18.727 ( -2.663 0.000 -0.501) 2.710 18.882 ( 2.450 0.000 1.183) 2.720 18.977 ( 1.699 0.000 -2.355) 2.904 27.744 ( -0.541 0.000 0.731) 0.910 27.747 ( 0.297 0.000 -0.613) 0.681 27.978 ( 0.396 0.000 1.224) 1.286 28.018 ( 0.343 0.000 -1.069) 1.122 28.086 ( -0.420 0.000 0.977) 1.064 28.114 ( -0.034 0.000 -1.710) 1.711 28.116 ( 0.465 0.000 2.234) 2.282 28.190 ( 0.022 0.000 -2.323) 2.323 28.775 ( 0.335 0.000 0.548) 0.642 28.777 ( 0.262 0.000 0.283) 0.385 29.283 ( 3.096 0.000 1.432) 3.411 29.286 ( 2.726 0.000 -0.149) 2.730 29.429 ( 1.322 0.000 0.415) 1.385 29.486 ( 3.464 0.000 0.231) 3.471 29.505 ( -1.070 0.000 -2.822) 3.018 29.714 ( 1.872 0.000 -0.788) 2.031 29.945 ( -0.667 0.000 5.253) 5.295 30.124 ( 6.773 0.000 -3.387) 7.573 30.356 ( -0.989 0.000 -6.751) 6.823 30.491 ( -0.647 0.000 2.759) 2.834 30.583 ( -0.065 0.000 5.517) 5.517 30.859 ( -0.474 0.000 -9.719) 9.730 30.860 ( -14.142 0.000 2.896) 14.436 31.068 ( -8.942 0.000 -14.643) 17.158 31.408 ( 7.610 0.000 6.642) 10.101 31.504 ( 11.160 0.000 -1.036) 11.208 31.968 ( 18.244 0.000 7.081) 19.570 32.033 ( 5.365 0.000 7.680) 9.369 32.557 ( -1.391 0.000 1.931) 2.380 32.713 ( -10.574 0.000 -1.644) 10.701 32.763 ( -7.991 0.000 -10.121) 12.895 32.850 ( -10.392 0.000 4.933) 11.503 ======================= Grid point 71 (37/48) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -3.998 13.474 13.695) 19.624 1.122 ( -0.816 12.384 9.599) 15.689 1.238 ( 4.630 6.903 -9.477) 12.606 1.460 ( -0.606 3.931 -12.497) 13.115 1.653 ( 1.670 3.359 4.019) 5.498 1.700 ( -0.270 4.586 -0.332) 4.606 1.812 ( -3.808 -6.270 4.872) 8.806 1.886 ( 2.255 -3.920 0.444) 4.544 1.923 ( 3.291 -5.380 3.370) 7.151 1.984 ( 0.841 -0.870 0.066) 1.212 2.105 ( 0.622 6.951 4.324) 8.209 2.182 ( 0.270 0.941 -1.669) 1.935 2.285 ( 1.692 2.437 3.858) 4.867 2.330 ( 1.428 -2.712 2.920) 4.233 2.473 ( 0.881 2.405 7.475) 7.902 2.582 ( -1.195 -1.636 2.715) 3.388 2.608 ( 1.879 -1.705 0.931) 2.703 2.693 ( 4.676 -10.246 -0.550) 11.276 2.741 ( -6.180 -7.733 0.883) 9.939 2.796 ( -4.029 -2.138 0.472) 4.585 2.877 ( 0.529 -1.218 -2.599) 2.918 2.964 ( 0.010 4.179 -4.307) 6.001 3.097 ( -1.516 1.049 -0.833) 2.024 3.163 ( 4.807 -0.452 -5.959) 7.669 3.249 ( -2.426 0.382 2.123) 3.246 3.308 ( 0.772 1.163 -0.136) 1.402 3.419 ( -0.220 0.814 4.297) 4.379 3.521 ( 1.898 5.007 -1.902) 5.682 3.539 ( -4.660 8.385 -6.182) 11.412 3.588 ( 2.548 -0.136 -1.645) 3.036 3.742 ( -1.443 -0.332 3.828) 4.104 3.803 ( -0.819 -1.235 -1.803) 2.334 3.896 ( -2.068 2.298 4.184) 5.202 3.956 ( 3.138 2.010 -1.131) 3.895 3.971 ( -1.110 6.603 2.888) 7.292 4.031 ( -3.015 3.753 -0.301) 4.823 4.098 ( -1.627 2.755 4.582) 5.588 4.209 ( 0.908 2.308 -3.235) 4.076 4.302 ( 7.395 -1.414 5.387) 9.257 4.341 ( -3.669 1.056 0.485) 3.848 4.405 ( 2.309 -1.577 -2.782) 3.944 4.432 ( -0.504 -0.593 -4.565) 4.631 4.548 ( -2.758 0.722 4.320) 5.176 4.610 ( -4.600 0.498 3.456) 5.775 4.710 ( 4.545 -6.273 0.646) 7.773 4.725 ( 2.873 1.878 -1.705) 3.832 4.815 ( -1.039 -5.391 -2.903) 6.211 4.835 ( -1.134 0.279 0.742) 1.384 4.915 ( 1.326 2.534 -4.752) 5.546 4.944 ( -0.933 0.223 -2.292) 2.485 5.125 ( -4.105 -0.031 3.709) 5.532 5.250 ( 2.732 -2.167 -4.985) 6.084 5.470 ( -0.992 -10.424 2.115) 10.682 5.541 ( 0.774 -9.362 -4.737) 10.521 5.948 ( -0.160 -1.100 2.922) 3.126 5.998 ( 1.446 -1.700 -0.392) 2.266 6.200 ( -1.878 4.692 0.958) 5.144 6.261 ( 3.151 4.752 -3.642) 6.765 6.370 ( 0.104 2.689 -1.021) 2.878 6.380 ( 0.442 2.495 -1.788) 3.101 7.071 ( -0.726 1.401 1.560) 2.219 7.102 ( -0.481 1.280 -1.251) 1.853 7.189 ( 0.301 -0.026 2.296) 2.316 7.243 ( 0.947 -0.856 -2.557) 2.858 7.991 ( 0.624 0.390 2.271) 2.387 8.031 ( 0.677 0.214 -1.299) 1.480 8.079 ( 0.188 1.650 0.500) 1.734 8.106 ( -1.320 1.122 -1.936) 2.598 8.482 ( 0.061 2.774 2.186) 3.532 8.548 ( -0.193 0.852 -3.656) 3.759 8.805 ( -1.159 -4.637 1.587) 5.037 8.828 ( 0.725 -3.960 -0.615) 4.073 9.168 ( 0.173 0.419 1.566) 1.630 9.204 ( 0.337 -0.255 -1.461) 1.521 9.436 ( 2.616 -1.570 5.403) 6.205 9.541 ( -4.176 -5.692 -3.446) 7.856 10.469 ( 0.345 -3.765 0.461) 3.809 10.479 ( -0.370 -3.646 -0.339) 3.681 10.733 ( -0.424 1.532 0.906) 1.830 10.760 ( 0.623 1.225 -1.385) 1.951 10.814 ( -0.222 3.723 0.041) 3.730 10.832 ( -0.023 2.504 -1.621) 2.983 11.054 ( 0.673 -1.799 1.233) 2.282 11.071 ( -0.278 -1.983 -0.229) 2.016 11.508 ( 0.338 2.323 1.483) 2.777 11.555 ( -0.041 0.845 -2.422) 2.565 11.674 ( -1.333 -1.784 0.473) 2.276 11.697 ( 0.684 -1.453 -1.565) 2.242 12.535 ( -0.123 0.420 1.887) 1.937 12.577 ( -0.131 -0.061 -1.460) 1.467 12.611 ( -0.262 -0.461 1.672) 1.754 12.664 ( 0.375 -1.199 -2.674) 2.954 14.165 ( -1.237 0.138 1.401) 1.874 14.192 ( 1.740 -0.496 -0.884) 2.014 14.405 ( 1.599 -0.279 -1.269) 2.061 14.408 ( -1.390 -0.329 -1.593) 2.139 14.596 ( -0.159 0.270 0.873) 0.928 14.605 ( 1.378 0.134 0.127) 1.390 14.694 ( -1.797 0.875 0.450) 2.049 14.699 ( 0.140 0.414 -0.021) 0.438 15.531 ( -0.512 -0.816 0.178) 0.980 15.544 ( 0.026 -0.766 -1.074) 1.320 15.631 ( 0.322 0.890 0.365) 1.014 15.642 ( 0.213 0.748 -0.621) 0.995 16.071 ( -1.036 -0.544 0.578) 1.305 16.081 ( 0.341 -0.454 -0.205) 0.604 16.275 ( -0.417 0.096 1.338) 1.405 16.296 ( 0.614 -0.268 -0.386) 0.773 16.651 ( 0.072 -0.658 0.830) 1.062 16.669 ( 0.151 -0.781 -0.833) 1.152 16.906 ( 0.047 3.136 3.346) 4.586 16.980 ( -0.791 1.100 -3.091) 3.375 17.136 ( 1.725 -0.032 1.722) 2.438 17.170 ( -0.738 -0.469 -1.244) 1.521 17.362 ( -1.157 -0.209 2.687) 2.933 17.385 ( 1.693 -1.402 0.817) 2.345 18.321 ( -0.867 -0.292 0.782) 1.203 18.342 ( 1.769 -0.378 -0.923) 2.030 18.501 ( -3.244 2.875 3.406) 5.513 18.582 ( 3.626 2.676 -3.948) 5.991 18.685 ( 2.287 2.422 0.713) 3.406 18.694 ( -3.118 3.008 -0.087) 4.333 18.896 ( 0.101 -2.504 2.331) 3.422 18.955 ( -0.435 -1.989 -2.793) 3.456 27.729 ( -0.282 -0.310 0.596) 0.728 27.748 ( 0.311 -0.432 -1.066) 1.191 27.927 ( 0.144 -4.219 1.560) 4.501 27.961 ( -0.084 -4.279 -1.492) 4.532 28.084 ( -0.219 0.219 0.935) 0.985 28.107 ( 0.278 -0.440 -0.390) 0.651 28.131 ( 0.358 0.095 1.000) 1.067 28.176 ( -0.515 -0.735 -2.238) 2.411 28.901 ( -0.242 10.344 1.526) 10.458 28.935 ( 0.625 11.502 -1.680) 11.641 29.363 ( 0.721 2.820 1.653) 3.347 29.376 ( -0.154 5.084 0.744) 5.141 29.460 ( -0.004 1.239 -0.402) 1.302 29.471 ( -0.935 -0.252 -1.352) 1.663 29.561 ( 3.756 -0.911 3.752) 5.387 29.657 ( -7.180 0.610 -4.711) 8.609 29.968 ( 1.473 0.051 10.175) 10.281 30.142 ( -3.375 -2.627 -4.087) 5.916 30.285 ( -8.488 -3.242 4.311) 10.057 30.384 ( 3.749 -3.828 -3.442) 6.368 30.678 ( 6.232 3.938 6.869) 10.076 30.743 ( -0.112 4.873 5.784) 7.563 30.883 ( -4.783 -0.102 -8.563) 9.809 30.906 ( -2.493 3.899 -10.373) 11.358 31.359 ( 3.102 -10.897 8.400) 14.104 31.526 ( -1.100 -10.180 -6.623) 12.195 32.167 ( 4.948 1.277 6.324) 8.130 32.290 ( 3.183 -2.208 -4.058) 5.610 32.506 ( -2.054 -1.900 1.361) 3.112 32.558 ( -1.828 -3.200 -2.732) 4.587 32.685 ( 5.297 2.418 -0.843) 5.883 32.694 ( -2.743 1.932 -1.542) 3.692 ======================= Grid point 72 (38/48) ======================= q-point: ( 0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 6.763 12.043 6.256) 15.163 1.157 ( 4.637 16.315 8.128) 18.808 1.338 ( 3.832 1.942 -9.728) 10.634 1.483 ( 3.430 3.950 -7.096) 8.816 1.676 ( -1.131 -1.155 0.340) 1.652 1.688 ( 0.523 1.413 0.253) 1.528 1.808 ( 4.558 1.947 0.521) 4.984 1.899 ( -1.053 -1.072 3.821) 4.106 1.941 ( -3.189 -1.613 -1.369) 3.827 2.012 ( 2.911 -2.644 -1.258) 4.129 2.102 ( -1.757 3.167 3.358) 4.939 2.168 ( -2.087 -0.287 -4.227) 4.723 2.284 ( -4.952 0.089 1.058) 5.065 2.368 ( 2.197 -1.581 2.711) 3.831 2.448 ( -3.682 -0.048 3.391) 5.006 2.493 ( -1.436 0.403 -0.519) 1.579 2.602 ( -0.379 -0.481 5.952) 5.984 2.645 ( -0.811 -6.670 1.981) 7.005 2.724 ( -5.021 -1.314 1.063) 5.297 2.747 ( -1.139 -0.227 -1.399) 1.818 2.922 ( -0.872 3.437 -5.087) 6.201 2.979 ( 4.696 -5.826 3.773) 8.380 3.086 ( -1.711 2.409 -3.958) 4.939 3.195 ( -0.396 -0.633 3.380) 3.462 3.203 ( -0.310 -1.559 -3.313) 3.674 3.322 ( -0.671 -0.718 -0.889) 1.325 3.402 ( -3.282 0.381 6.443) 7.241 3.444 ( -0.079 3.363 -1.810) 3.820 3.502 ( -4.791 3.425 -1.649) 6.116 3.661 ( 1.023 0.785 -0.198) 1.305 3.715 ( -2.011 2.127 -1.121) 3.134 3.778 ( -7.548 3.551 3.472) 9.036 3.824 ( 4.642 2.531 -0.513) 5.311 3.937 ( -5.323 3.813 0.353) 6.557 3.966 ( -0.387 2.926 4.283) 5.202 4.038 ( 4.234 -0.235 -1.087) 4.378 4.076 ( 1.385 3.789 4.925) 6.366 4.240 ( 1.026 1.030 -4.328) 4.566 4.274 ( -2.114 2.215 -0.567) 3.114 4.390 ( 0.032 0.234 1.017) 1.044 4.418 ( 1.127 -0.272 -4.001) 4.166 4.467 ( -1.870 1.142 2.006) 2.971 4.471 ( 1.524 -2.474 1.115) 3.112 4.584 ( 1.152 2.065 5.481) 5.969 4.720 ( -4.332 -6.611 -0.570) 7.924 4.759 ( -2.436 -1.488 -3.899) 4.832 4.822 ( 2.566 -1.767 -2.802) 4.190 4.844 ( 3.344 -0.993 0.784) 3.575 4.912 ( -2.047 -1.771 2.899) 3.966 4.944 ( 1.748 1.997 -1.735) 3.171 5.040 ( -4.499 1.307 1.351) 4.876 5.280 ( 0.415 -3.238 -2.279) 3.982 5.407 ( -3.712 -9.410 2.515) 10.424 5.551 ( -0.568 -7.440 -4.720) 8.829 5.919 ( -2.836 1.651 2.959) 4.419 5.987 ( -1.607 -0.318 -1.238) 2.053 6.231 ( 5.205 1.771 -1.781) 5.779 6.292 ( 1.364 0.948 -2.142) 2.711 6.383 ( 1.434 4.406 -1.493) 4.868 6.503 ( 7.258 2.745 -3.527) 8.523 7.054 ( 0.428 1.613 2.213) 2.772 7.093 ( 0.515 2.046 -0.555) 2.182 7.238 ( 3.594 -0.554 3.341) 4.939 7.372 ( 9.841 -3.453 -6.907) 12.509 7.996 ( 0.020 -0.403 1.690) 1.737 8.038 ( -0.493 -0.719 -3.058) 3.180 8.081 ( 1.551 1.570 -0.056) 2.208 8.134 ( 2.465 1.768 -0.071) 3.034 8.474 ( -0.813 2.314 1.888) 3.095 8.546 ( -0.017 1.008 -2.848) 3.022 8.772 ( -2.025 -4.370 1.739) 5.120 8.817 ( -1.740 -3.335 -0.257) 3.771 9.170 ( 0.144 -0.057 0.883) 0.897 9.204 ( -0.567 -0.749 -1.700) 1.942 9.441 ( -4.461 -2.527 -1.198) 5.265 9.471 ( 0.317 -1.985 5.718) 6.062 10.464 ( -0.867 -3.621 -0.094) 3.725 10.471 ( -0.415 -4.811 0.312) 4.839 10.728 ( 0.155 2.077 0.292) 2.103 10.767 ( 0.280 1.630 -0.042) 1.654 10.825 ( -0.179 3.138 0.358) 3.164 10.828 ( 0.815 2.169 -2.192) 3.189 11.074 ( 0.645 -0.991 -0.537) 1.299 11.082 ( 1.944 -1.412 0.650) 2.489 11.512 ( -0.017 2.139 1.282) 2.494 11.555 ( 0.203 0.977 -2.495) 2.687 11.642 ( -1.628 -0.872 1.758) 2.550 11.699 ( -0.484 -1.526 -1.546) 2.226 12.526 ( -0.676 0.689 1.536) 1.814 12.568 ( -0.633 0.318 -1.452) 1.616 12.606 ( -0.224 -0.469 2.192) 2.253 12.674 ( 0.578 -1.403 -3.026) 3.385 14.152 ( 0.077 0.443 0.888) 0.995 14.222 ( 0.894 -1.474 -0.270) 1.745 14.368 ( -1.353 0.731 -2.746) 3.147 14.438 ( -0.121 -1.017 -0.787) 1.292 14.588 ( 0.398 1.126 -0.547) 1.314 14.638 ( 1.527 -0.338 -0.313) 1.595 14.692 ( 1.455 0.707 1.868) 2.471 14.730 ( 2.502 0.099 0.762) 2.617 15.494 ( -1.943 0.046 -0.076) 1.945 15.549 ( -0.631 -0.865 -0.205) 1.090 15.636 ( 0.361 0.468 -0.295) 0.661 15.652 ( 0.585 0.638 -0.639) 1.076 16.063 ( 0.308 -0.758 1.043) 1.326 16.091 ( 0.598 -0.727 0.246) 0.973 16.287 ( 1.403 0.395 1.322) 1.968 16.324 ( 1.873 -0.248 -0.393) 1.930 16.660 ( 0.852 -0.912 0.337) 1.293 16.679 ( 0.829 -0.816 -0.634) 1.325 16.917 ( 0.869 2.625 3.947) 4.819 16.969 ( -0.213 1.876 -2.253) 2.940 17.144 ( -1.589 -0.217 -1.827) 2.431 17.163 ( 0.808 -0.434 0.435) 1.015 17.304 ( -4.104 0.210 1.419) 4.348 17.360 ( -3.864 -0.854 1.660) 4.291 18.317 ( -0.285 -0.808 0.045) 0.858 18.407 ( 4.662 -1.788 -1.324) 5.166 18.443 ( -2.445 2.902 1.972) 4.277 18.638 ( -1.018 5.005 -1.182) 5.243 18.676 ( 4.207 1.270 -1.789) 4.744 18.720 ( 1.423 0.997 0.871) 1.944 18.853 ( -3.872 -3.850 1.025) 5.556 18.945 ( -0.946 -0.405 -0.756) 1.277 27.728 ( 0.159 -0.199 0.555) 0.611 27.754 ( 0.291 -0.567 -0.851) 1.063 27.928 ( -0.090 -4.351 1.417) 4.577 27.958 ( -0.129 -3.944 -1.406) 4.189 28.080 ( -0.166 -0.090 0.870) 0.890 28.110 ( 0.073 -0.599 -0.450) 0.753 28.136 ( -0.017 -0.050 1.133) 1.134 28.163 ( -0.624 -0.547 -2.157) 2.311 28.893 ( -0.533 9.942 1.287) 10.039 28.936 ( -0.504 12.033 -2.057) 12.218 29.331 ( -3.330 4.439 0.637) 5.586 29.358 ( -2.416 4.084 -0.036) 4.745 29.408 ( -5.361 -1.232 2.347) 5.981 29.457 ( -1.450 1.057 -0.506) 1.864 29.494 ( -3.349 1.540 1.933) 4.162 29.629 ( 1.755 -1.862 3.891) 4.657 29.999 ( -1.556 -1.308 4.364) 4.814 30.068 ( -0.169 -0.816 1.415) 1.643 30.176 ( -2.536 1.179 5.000) 5.729 30.463 ( 2.372 -5.286 0.724) 5.839 30.725 ( -1.725 6.231 5.064) 8.212 30.779 ( -3.042 1.007 -9.378) 9.910 30.814 ( 6.538 1.011 5.552) 8.637 30.994 ( 7.950 2.283 -3.166) 8.857 31.372 ( -3.078 -7.688 0.678) 8.309 31.431 ( -5.100 -10.062 -3.577) 11.834 32.090 ( -10.541 1.170 -2.312) 10.855 32.167 ( -9.779 -1.492 -4.917) 11.047 32.562 ( 6.217 -0.815 6.343) 8.919 32.597 ( 5.912 -0.926 -1.516) 6.173 32.712 ( 4.742 2.031 -0.824) 5.224 32.950 ( 13.135 -4.342 -7.272) 15.629 ======================= Grid point 73 (39/48) ======================= q-point: ( 0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 8.442 5.722 -1.864) 10.368 1.292 ( 6.773 13.690 0.345) 15.278 1.356 ( -0.751 -5.500 -5.048) 7.503 1.526 ( -0.643 1.211 -4.544) 4.746 1.638 ( -0.329 -0.015 -5.079) 5.090 1.739 ( 4.222 -2.348 1.405) 5.031 1.755 ( -8.519 4.750 2.810) 10.151 1.865 ( -5.138 0.312 1.110) 5.266 1.938 ( -2.883 -4.827 0.790) 5.678 2.033 ( 1.681 0.787 -0.867) 2.048 2.070 ( 0.632 4.692 0.208) 4.739 2.139 ( -0.561 0.787 -4.470) 4.574 2.176 ( 0.718 1.585 -4.539) 4.861 2.373 ( -1.940 -0.225 4.653) 5.046 2.423 ( 2.283 3.956 -0.986) 4.672 2.556 ( -5.937 -1.512 0.746) 6.172 2.576 ( 2.084 2.154 5.771) 6.503 2.613 ( -3.682 1.260 6.833) 7.864 2.666 ( 3.906 -4.636 -5.530) 8.205 2.767 ( 3.020 0.375 -5.716) 6.476 2.844 ( -4.329 7.119 5.898) 10.208 3.019 ( -2.336 -1.974 2.829) 4.166 3.072 ( -1.152 -0.595 -3.043) 3.308 3.149 ( 0.290 -2.247 2.337) 3.255 3.232 ( -0.766 -1.094 -1.352) 1.901 3.287 ( 1.887 0.012 -1.717) 2.551 3.357 ( -0.686 -0.061 3.324) 3.395 3.390 ( -3.366 2.733 0.182) 4.339 3.487 ( 0.075 1.970 6.416) 6.712 3.570 ( -9.231 1.043 1.666) 9.438 3.708 ( 3.365 -0.157 1.203) 3.577 3.749 ( 1.328 -0.620 -3.568) 3.857 3.810 ( -5.173 1.048 1.635) 5.525 3.903 ( 1.951 1.740 -4.100) 4.862 3.974 ( 0.804 5.003 9.395) 10.674 4.104 ( 0.336 4.610 1.470) 4.850 4.154 ( 4.947 -1.061 0.755) 5.115 4.206 ( -0.387 4.878 -8.228) 9.573 4.274 ( -0.937 -4.419 -0.089) 4.518 4.352 ( -3.751 -1.194 0.953) 4.050 4.425 ( -1.651 2.247 2.155) 3.524 4.464 ( 2.690 -0.304 -3.773) 4.643 4.511 ( 2.051 0.416 2.438) 3.213 4.564 ( -3.974 2.692 0.407) 4.817 4.648 ( -2.016 -1.517 5.721) 6.253 4.706 ( -1.505 -1.795 -2.395) 3.351 4.858 ( -2.280 -3.801 4.735) 6.486 4.873 ( 2.423 -1.284 -2.982) 4.051 4.890 ( 1.139 -1.084 -0.515) 1.655 4.967 ( -2.723 1.216 -0.945) 3.129 5.022 ( 6.037 0.248 1.744) 6.289 5.272 ( -1.290 -3.606 -2.274) 4.454 5.355 ( -1.552 -7.942 3.096) 8.664 5.509 ( -3.134 -5.660 -5.036) 8.199 5.864 ( -1.904 0.429 1.989) 2.786 5.960 ( -1.897 -1.306 -3.054) 3.826 6.323 ( 3.572 1.600 -0.799) 3.994 6.352 ( 3.651 2.180 0.802) 4.328 6.414 ( 2.477 5.205 -2.350) 6.225 6.581 ( 0.845 0.595 -3.499) 3.648 7.090 ( 2.405 2.301 1.415) 3.617 7.122 ( 1.970 3.676 -0.810) 4.248 7.312 ( 3.449 -1.672 6.873) 7.870 7.535 ( 6.189 -5.699 -10.228) 13.244 7.981 ( -1.873 -0.246 2.863) 3.430 8.023 ( -0.575 -0.890 -3.740) 3.887 8.128 ( 2.207 0.696 0.135) 2.318 8.170 ( 1.481 1.052 -2.073) 2.757 8.463 ( -0.310 1.740 1.917) 2.608 8.534 ( -1.115 0.285 -1.965) 2.277 8.737 ( -1.398 -3.654 1.546) 4.207 8.774 ( -2.188 -3.044 -0.314) 3.762 9.174 ( -0.025 -0.375 0.655) 0.755 9.188 ( -0.344 -0.729 -1.871) 2.037 9.404 ( 0.542 -0.061 0.244) 0.597 9.455 ( -1.914 -1.171 4.251) 4.807 10.447 ( -0.698 -4.131 0.213) 4.195 10.459 ( -0.709 -5.258 -0.053) 5.306 10.742 ( 1.205 2.276 0.086) 2.577 10.773 ( 0.175 2.122 0.607) 2.214 10.808 ( -1.020 2.545 1.173) 2.983 10.847 ( 0.801 2.773 -3.134) 4.261 11.094 ( 1.323 -0.475 0.114) 1.411 11.120 ( 1.544 -0.902 -0.187) 1.798 11.511 ( -0.105 1.661 1.579) 2.294 11.557 ( 0.112 0.805 -2.522) 2.649 11.618 ( -0.909 -0.603 2.307) 2.552 11.680 ( -1.117 -1.430 -1.966) 2.675 12.517 ( -0.346 1.092 1.278) 1.716 12.556 ( -0.342 1.040 -2.015) 2.293 12.607 ( 0.207 -0.692 2.449) 2.554 12.678 ( 0.026 -1.442 -3.021) 3.347 14.168 ( 1.351 0.131 0.938) 1.650 14.222 ( -0.709 -1.302 0.547) 1.580 14.354 ( 0.100 0.511 -3.282) 3.323 14.400 ( -2.895 -0.582 -0.707) 3.036 14.618 ( 1.908 0.989 -0.282) 2.168 14.656 ( 0.276 0.004 -0.037) 0.278 14.737 ( 2.497 0.483 1.903) 3.176 14.777 ( 1.918 -0.122 0.300) 1.945 15.471 ( -0.221 0.273 -0.431) 0.556 15.521 ( -1.927 -0.632 -0.256) 2.044 15.645 ( 0.473 -0.077 -0.300) 0.566 15.659 ( 0.062 0.189 -0.518) 0.555 16.080 ( 1.124 -1.013 1.030) 1.830 16.102 ( 0.435 -1.054 0.369) 1.199 16.318 ( 1.430 0.522 1.563) 2.182 16.354 ( 1.030 -0.033 -0.196) 1.049 16.682 ( 1.232 -0.376 -0.049) 1.289 16.694 ( 0.506 -0.556 0.076) 0.756 16.938 ( 0.804 2.128 4.131) 4.716 16.967 ( 0.099 1.793 -1.069) 2.090 17.114 ( -1.042 -0.144 -1.970) 2.233 17.169 ( -0.527 -1.215 -0.989) 1.653 17.233 ( -2.346 0.345 0.462) 2.416 17.275 ( -4.144 -0.143 2.308) 4.745 18.315 ( 0.472 0.112 -0.304) 0.573 18.385 ( -3.473 1.316 1.322) 3.943 18.506 ( 5.130 -0.337 -0.697) 5.188 18.641 ( 0.509 3.256 -1.203) 3.509 18.712 ( 0.383 0.115 1.016) 1.092 18.769 ( -2.906 -4.582 0.700) 5.471 18.784 ( 3.209 0.443 -2.177) 3.903 18.908 ( -2.823 0.258 0.184) 2.841 27.735 ( 0.482 -0.193 0.539) 0.748 27.757 ( -0.009 -0.306 -0.390) 0.495 27.925 ( -0.226 -4.242 1.330) 4.451 27.954 ( -0.125 -3.734 -1.297) 3.955 28.080 ( 0.135 -0.468 0.846) 0.976 28.109 ( -0.156 -0.918 -0.038) 0.932 28.132 ( -0.383 -0.044 0.499) 0.631 28.154 ( -0.129 -0.553 -2.037) 2.114 28.885 ( -0.321 9.595 0.948) 9.647 28.916 ( -1.200 11.579 -1.212) 11.704 29.260 ( -3.234 3.272 0.852) 4.679 29.281 ( -3.134 2.930 0.291) 4.301 29.358 ( -0.562 0.814 2.613) 2.794 29.422 ( -1.660 0.151 -1.007) 1.948 29.500 ( 1.883 0.516 2.390) 3.086 29.627 ( -1.807 -2.703 1.868) 3.750 29.967 ( -0.413 0.163 2.533) 2.572 30.061 ( -1.688 4.664 -1.656) 5.229 30.204 ( 4.154 -2.616 9.532) 10.722 30.465 ( -1.717 -4.205 -0.301) 4.552 30.695 ( -1.553 4.390 6.290) 7.826 30.763 ( 1.536 1.272 -6.897) 7.180 30.929 ( 4.558 -2.851 2.659) 5.998 31.113 ( 2.573 3.126 3.056) 5.072 31.235 ( -4.972 -7.730 -6.818) 11.443 31.423 ( 0.763 -1.827 -2.347) 3.070 31.903 ( -6.659 -1.039 -5.295) 8.571 31.971 ( -9.735 -2.477 -1.403) 10.143 32.649 ( 2.882 0.316 6.800) 7.392 32.751 ( 7.048 1.498 -3.869) 8.178 32.829 ( 6.685 -0.954 1.859) 7.004 33.101 ( 2.914 -4.920 -8.037) 9.864 ======================= Grid point 74 (40/48) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -2.715 0.764 -0.269) 2.833 1.314 ( 0.267 2.921 -10.359) 10.767 1.359 ( 0.134 -1.099 2.751) 2.966 1.476 ( -3.087 -3.298 -7.411) 8.679 1.607 ( -3.130 -1.767 4.871) 6.054 1.691 ( 1.041 2.209 0.098) 2.444 1.783 ( -0.161 0.966 1.237) 1.578 1.822 ( 3.183 1.474 -2.245) 4.165 1.935 ( 3.959 -0.335 2.082) 4.486 1.994 ( -0.140 5.802 -0.897) 5.873 2.050 ( -3.783 3.306 -0.427) 5.042 2.115 ( -0.791 2.687 -4.680) 5.455 2.265 ( -11.519 1.048 4.015) 12.244 2.333 ( 8.905 -1.138 -1.482) 9.099 2.436 ( -1.066 2.069 6.962) 7.341 2.465 ( -3.776 1.654 5.410) 6.802 2.561 ( -3.392 -0.036 1.711) 3.799 2.586 ( 4.390 4.964 -3.989) 7.735 2.707 ( -1.961 -2.670 -3.604) 4.895 2.784 ( 1.225 -1.012 -5.690) 5.908 2.898 ( 5.448 1.593 5.227) 7.716 2.977 ( 0.600 3.590 3.842) 5.293 3.069 ( 3.677 4.729 -5.090) 7.861 3.140 ( -3.310 -1.002 -5.246) 6.283 3.255 ( 0.701 0.219 0.600) 0.948 3.301 ( 0.671 0.340 -3.655) 3.731 3.384 ( -0.366 -2.578 3.772) 4.583 3.410 ( 1.723 -1.413 2.023) 3.010 3.451 ( 3.794 1.501 4.380) 5.986 3.467 ( -0.928 1.443 6.319) 6.548 3.678 ( -3.400 2.622 0.749) 4.359 3.726 ( -4.664 -5.933 0.350) 7.555 3.836 ( 4.746 -0.498 2.407) 5.344 3.926 ( 0.155 3.077 -5.324) 6.151 3.995 ( -0.037 6.527 9.149) 11.239 4.081 ( -0.732 0.707 3.516) 3.660 4.166 ( -1.602 3.966 -1.830) 4.652 4.229 ( 0.615 6.021 -7.373) 9.539 4.264 ( 0.772 -5.582 1.700) 5.886 4.286 ( -2.918 -3.987 -0.774) 5.001 4.417 ( 1.131 2.133 5.493) 6.001 4.454 ( -3.751 0.425 3.830) 5.378 4.517 ( 0.467 2.727 -1.741) 3.269 4.553 ( 1.590 0.093 -2.961) 3.362 4.616 ( -1.787 -0.130 5.989) 6.251 4.726 ( 3.323 -1.546 -2.124) 4.236 4.812 ( -2.518 -2.900 3.843) 5.433 4.905 ( 1.310 0.670 0.340) 1.510 4.923 ( 0.161 -0.007 -1.516) 1.524 4.959 ( 3.183 -1.333 -7.043) 7.843 5.143 ( 5.300 -1.725 2.488) 6.104 5.219 ( -3.248 -3.848 -3.813) 6.317 5.360 ( 1.528 -6.944 3.293) 7.836 5.444 ( -2.577 -5.292 -4.653) 7.503 5.855 ( 0.683 -0.737 1.806) 2.067 5.918 ( -1.591 -2.097 -3.059) 4.036 6.357 ( -0.976 3.811 0.891) 4.034 6.384 ( 1.336 3.689 -1.616) 4.244 6.478 ( 0.918 1.259 1.539) 2.190 6.553 ( -1.663 0.836 -4.574) 4.939 7.120 ( 0.178 2.421 0.735) 2.536 7.146 ( 0.215 4.612 -1.332) 4.806 7.358 ( 0.065 -2.568 9.370) 9.716 7.578 ( -1.290 -5.223 -10.244) 11.571 7.940 ( -1.828 0.497 3.897) 4.333 8.016 ( 0.023 -1.713 -2.076) 2.692 8.136 ( -0.735 2.201 0.895) 2.487 8.210 ( 2.139 -1.010 -5.186) 5.700 8.465 ( 0.243 1.510 2.309) 2.769 8.514 ( -0.246 -0.060 -1.776) 1.794 8.727 ( 0.413 -3.205 1.330) 3.494 8.750 ( -0.066 -3.070 -0.769) 3.166 9.167 ( -0.709 -0.155 0.568) 0.921 9.190 ( 0.407 -0.582 -1.473) 1.635 9.414 ( -2.220 0.113 2.663) 3.469 9.444 ( 3.231 -0.621 0.053) 3.291 10.442 ( 0.246 -4.427 0.320) 4.445 10.449 ( -0.267 -5.199 -0.206) 5.210 10.757 ( -1.560 2.950 1.096) 3.512 10.765 ( 0.700 1.833 1.202) 2.301 10.810 ( 1.111 2.676 -0.305) 2.913 10.854 ( 0.035 2.832 -3.494) 4.498 11.115 ( 0.444 -0.833 0.906) 1.309 11.128 ( -0.833 -0.573 -0.487) 1.122 11.508 ( -0.342 1.303 1.916) 2.342 11.558 ( 0.133 0.609 -2.469) 2.546 11.613 ( 0.366 -0.815 2.406) 2.567 11.664 ( -0.246 -1.192 -2.243) 2.552 12.514 ( -0.044 1.284 1.229) 1.778 12.554 ( 0.276 1.293 -2.493) 2.822 12.614 ( 0.255 -0.883 2.381) 2.552 12.674 ( -0.222 -1.294 -2.903) 3.186 14.195 ( 1.020 -0.473 1.379) 1.779 14.202 ( -1.250 -0.609 0.563) 1.500 14.349 ( -1.820 0.184 -0.942) 2.058 14.371 ( 1.653 -0.184 -2.808) 3.264 14.634 ( -0.715 0.112 1.459) 1.629 14.657 ( 0.112 0.549 -0.725) 0.917 14.773 ( 0.730 0.309 1.462) 1.663 14.797 ( 0.211 0.233 -0.631) 0.705 15.484 ( 0.367 -0.265 -0.497) 0.673 15.488 ( -0.037 -0.188 -0.836) 0.858 15.649 ( -0.224 -0.078 0.150) 0.281 15.655 ( -0.216 -0.161 -0.296) 0.400 16.098 ( 0.482 -1.157 0.805) 1.489 16.106 ( -0.070 -1.112 0.143) 1.124 16.337 ( 0.299 0.603 1.682) 1.811 16.360 ( -0.316 0.024 -0.188) 0.368 16.692 ( -0.796 0.267 0.659) 1.067 16.701 ( 0.554 -0.114 -0.085) 0.572 16.944 ( -0.491 2.045 3.211) 3.839 16.976 ( 0.998 0.932 -0.146) 1.374 17.110 ( 0.770 -0.634 0.025) 0.998 17.133 ( -2.320 -0.659 -1.699) 2.950 17.215 ( -1.541 0.145 1.890) 2.444 17.240 ( 1.908 -0.418 -0.225) 1.966 18.317 ( -1.719 1.212 1.731) 2.724 18.354 ( 2.192 0.596 -1.693) 2.833 18.587 ( 0.878 0.687 1.218) 1.651 18.609 ( -2.005 2.468 -0.612) 3.238 18.713 ( -1.049 -3.836 1.037) 4.109 18.744 ( 1.990 -1.877 -1.471) 3.106 18.832 ( -2.906 0.361 0.754) 3.024 18.865 ( 2.364 0.331 -1.573) 2.859 27.744 ( 0.261 -0.295 0.571) 0.693 27.754 ( -0.246 -0.002 -0.236) 0.340 27.922 ( -0.184 -4.068 1.425) 4.315 27.953 ( 0.113 -3.781 -1.313) 4.004 28.085 ( 0.201 -0.534 0.899) 1.065 28.104 ( -0.384 -0.890 0.516) 1.099 28.124 ( -0.325 0.030 -0.331) 0.465 28.158 ( 0.657 -0.844 -2.021) 2.287 28.884 ( 0.122 9.740 0.835) 9.776 28.899 ( -0.331 10.521 -0.522) 10.539 29.230 ( 0.021 3.066 1.201) 3.293 29.250 ( -0.109 2.675 -0.635) 2.752 29.370 ( 1.461 0.699 1.083) 1.948 29.400 ( -0.247 -0.240 -1.361) 1.404 29.552 ( 2.956 -0.223 2.861) 4.120 29.581 ( -2.366 -1.932 0.049) 3.055 29.982 ( 1.429 1.785 2.599) 3.462 30.029 ( -1.265 4.233 -1.553) 4.683 30.305 ( 5.410 -3.221 8.017) 10.194 30.418 ( -2.508 -3.645 -2.984) 5.337 30.667 ( -1.789 3.465 6.099) 7.239 30.810 ( 3.012 0.615 -6.095) 6.827 30.995 ( 2.697 -4.669 1.972) 5.741 31.066 ( -3.239 -5.067 -2.821) 6.642 31.272 ( 4.929 4.225 2.127) 6.831 31.396 ( -3.464 1.265 -8.367) 9.144 31.807 ( -6.464 -3.136 2.468) 7.597 31.850 ( 0.953 -4.034 -1.531) 4.419 32.672 ( -0.930 2.018 6.829) 7.181 32.844 ( 2.811 1.141 -8.379) 8.911 32.935 ( 3.176 -3.097 5.007) 6.690 33.074 ( -4.650 -3.379 -6.636) 8.779 ======================= Grid point 75 (41/48) ======================= q-point: (-0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -2.216 3.891 -3.373) 5.606 1.263 ( -6.330 10.080 5.769) 13.228 1.307 ( -6.349 -2.694 1.973) 7.174 1.484 ( 5.183 -3.848 -5.145) 8.255 1.593 ( -0.870 -1.376 -0.867) 1.844 1.727 ( 4.070 3.963 0.573) 5.709 1.787 ( 0.313 -4.118 3.504) 5.416 1.843 ( -3.938 0.502 -0.967) 4.086 1.951 ( -2.129 -1.172 0.162) 2.436 2.030 ( -0.049 2.808 1.457) 3.164 2.050 ( -4.244 0.513 -0.504) 4.304 2.110 ( 8.894 1.696 0.845) 9.093 2.136 ( 2.484 5.307 -4.568) 7.430 2.367 ( -3.818 1.380 5.497) 6.833 2.407 ( 1.213 3.995 4.514) 6.149 2.472 ( 0.062 -0.413 1.430) 1.490 2.499 ( -1.424 -4.855 3.194) 5.984 2.625 ( -2.177 5.032 3.924) 6.742 2.709 ( 2.537 2.652 0.131) 3.673 2.778 ( 2.069 -1.578 -4.379) 5.094 2.971 ( 1.073 -0.127 4.022) 4.165 3.033 ( 2.138 0.062 3.715) 4.287 3.130 ( -3.093 1.986 -10.051) 10.702 3.141 ( 1.298 -3.614 -3.164) 4.976 3.208 ( 6.306 3.851 -4.806) 8.814 3.332 ( -4.296 -0.434 -1.899) 4.717 3.381 ( 0.365 2.117 4.721) 5.187 3.429 ( 3.963 3.349 -1.776) 5.484 3.498 ( 3.104 -1.117 7.531) 8.222 3.594 ( 4.950 -4.802 -4.220) 8.085 3.648 ( 3.170 3.487 2.747) 5.455 3.670 ( 0.323 -2.325 1.739) 2.921 3.882 ( 1.059 1.570 -2.660) 3.265 3.911 ( -1.462 4.301 -1.241) 4.709 3.996 ( -0.507 8.730 8.948) 12.512 4.054 ( -1.303 0.416 2.106) 2.511 4.166 ( -3.372 -0.317 -4.295) 5.470 4.214 ( -2.752 -1.267 3.416) 4.565 4.226 ( 2.579 1.122 -0.580) 2.872 4.307 ( 2.474 -2.659 -1.052) 3.781 4.405 ( 0.332 0.701 1.272) 1.490 4.472 ( 1.793 0.976 2.545) 3.263 4.537 ( 0.398 2.277 0.158) 2.317 4.542 ( -1.183 0.693 0.666) 1.524 4.598 ( 0.129 -0.653 4.603) 4.651 4.764 ( -0.391 -3.510 3.086) 4.690 4.812 ( 3.351 -0.004 -4.921) 5.953 4.907 ( -1.251 -0.759 1.203) 1.894 4.934 ( 0.964 0.377 -3.466) 3.618 4.994 ( -1.186 1.490 -5.165) 5.505 5.161 ( -0.549 -3.135 -5.809) 6.624 5.215 ( 0.819 -1.584 1.498) 2.329 5.396 ( 1.446 -8.738 0.501) 8.871 5.443 ( 3.341 -6.887 -0.731) 7.690 5.879 ( 1.260 -0.378 3.280) 3.534 5.917 ( 1.869 -1.374 -1.965) 3.040 6.311 ( -3.315 3.143 0.889) 4.654 6.383 ( -6.245 2.019 -1.201) 6.672 6.403 ( -1.127 1.555 -2.770) 3.371 6.550 ( -1.251 2.158 -1.023) 2.696 7.099 ( -2.000 2.197 0.975) 3.127 7.128 ( -1.691 3.821 -1.591) 4.471 7.317 ( -4.200 -2.436 8.585) 9.863 7.491 ( -6.561 -3.323 -8.489) 11.232 7.934 ( 0.913 0.930 3.598) 3.827 8.012 ( -0.338 -1.445 0.285) 1.511 8.127 ( -0.363 2.348 -1.611) 2.871 8.215 ( -1.641 -0.879 -3.530) 3.991 8.469 ( 0.123 1.176 1.938) 2.270 8.530 ( 1.550 0.626 -2.344) 2.879 8.755 ( 2.125 -3.675 0.538) 4.279 8.769 ( 1.866 -3.199 -0.353) 3.721 9.155 ( -0.279 -0.244 0.976) 1.043 9.193 ( -0.000 -0.999 -1.043) 1.445 9.382 ( -0.921 1.179 1.979) 2.481 9.517 ( 3.829 -2.383 -0.871) 4.593 10.449 ( 0.292 -4.698 0.060) 4.708 10.457 ( 1.118 -4.659 0.073) 4.792 10.730 ( -0.887 3.738 0.659) 3.898 10.770 ( -0.299 1.658 1.685) 2.383 10.831 ( 0.601 2.643 -1.664) 3.181 10.849 ( -0.246 2.479 -2.641) 3.631 11.091 ( -2.481 -0.569 0.191) 2.553 11.109 ( -0.960 -1.585 0.928) 2.072 11.502 ( -0.309 1.366 2.008) 2.449 11.559 ( 0.083 0.711 -2.282) 2.392 11.638 ( 1.931 -1.653 1.577) 2.992 11.668 ( 0.654 -1.028 -1.941) 2.292 12.517 ( 0.353 1.041 1.051) 1.521 12.562 ( 0.572 1.286 -2.345) 2.735 12.617 ( -0.051 -0.853 2.393) 2.541 12.669 ( -0.165 -1.188 -2.860) 3.102 14.177 ( -1.063 -0.098 -0.018) 1.068 14.205 ( -0.154 -0.649 2.098) 2.202 14.334 ( 0.395 0.454 -1.465) 1.584 14.413 ( 2.580 -1.217 -1.961) 3.462 14.603 ( -2.140 0.295 0.955) 2.362 14.647 ( -1.262 -0.060 0.641) 1.417 14.762 ( -1.595 0.455 -0.256) 1.678 14.786 ( -1.393 0.790 -0.485) 1.673 15.478 ( 0.558 -0.008 -0.975) 1.124 15.525 ( 2.133 -0.895 -0.665) 2.407 15.638 ( -0.713 0.076 0.287) 0.772 15.651 ( -0.314 0.044 0.139) 0.346 16.092 ( -0.757 -0.998 -0.001) 1.253 16.105 ( -0.224 -1.269 0.057) 1.290 16.329 ( -1.201 0.457 1.645) 2.088 16.343 ( -1.462 -0.139 -0.296) 1.498 16.670 ( -1.187 0.717 0.915) 1.662 16.698 ( -0.824 -0.414 -0.178) 0.939 16.928 ( -1.039 2.561 2.644) 3.825 17.001 ( 1.156 0.133 -0.953) 1.505 17.091 ( -1.311 -0.020 -0.464) 1.391 17.147 ( 2.244 -1.474 1.183) 2.934 17.213 ( 1.705 1.051 1.879) 2.746 17.296 ( 3.364 -0.707 0.410) 3.461 18.302 ( 0.301 0.880 0.766) 1.205 18.411 ( 2.684 -1.397 -0.740) 3.115 18.504 ( -5.015 3.054 -0.689) 5.912 18.614 ( -0.181 1.891 1.012) 2.152 18.708 ( -2.501 1.041 2.367) 3.597 18.757 ( -0.371 -0.234 -0.927) 1.026 18.798 ( 1.962 -3.184 -1.509) 4.033 18.919 ( 2.511 -0.692 -0.717) 2.701 27.743 ( -0.310 -0.260 0.350) 0.535 27.750 ( -0.186 -0.054 -0.207) 0.284 27.920 ( -0.034 -3.941 1.473) 4.208 27.957 ( 0.320 -4.102 -1.291) 4.313 28.087 ( -0.013 -0.283 0.885) 0.930 28.099 ( -0.088 -0.703 0.488) 0.861 28.121 ( 0.017 0.185 -0.290) 0.344 28.173 ( 0.788 -1.010 -2.093) 2.454 28.890 ( 0.457 10.242 1.042) 10.305 28.903 ( 0.647 10.355 -0.460) 10.386 29.262 ( 3.099 3.310 1.225) 4.698 29.273 ( 2.358 2.836 -0.143) 3.691 29.401 ( 1.576 0.820 -0.314) 1.805 29.422 ( 2.543 -0.397 -1.568) 3.014 29.533 ( -2.023 -0.965 -0.438) 2.284 29.625 ( 3.876 -1.435 2.497) 4.829 29.994 ( -0.857 3.277 0.800) 3.480 30.039 ( 2.967 2.168 -0.288) 3.686 30.360 ( -1.600 -3.417 -3.941) 5.456 30.426 ( 4.478 -2.290 3.129) 5.923 30.631 ( -2.194 2.789 4.641) 5.842 30.845 ( 0.030 -0.666 -6.463) 6.497 31.000 ( -2.484 -5.246 -2.410) 6.284 31.085 ( 5.271 -7.699 4.247) 10.252 31.262 ( -7.285 2.829 -8.555) 11.588 31.395 ( 4.975 2.770 -0.623) 5.728 31.768 ( 3.837 -0.930 6.418) 7.535 31.911 ( 4.769 -3.210 3.549) 6.756 32.629 ( -3.380 2.321 4.453) 6.054 32.842 ( -2.713 -0.575 -8.658) 9.092 32.906 ( -8.343 -3.338 -0.693) 9.013 32.966 ( -4.115 -1.700 0.500) 4.480 ======================= Grid point 76 (42/48) ======================= q-point: (-0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -11.242 8.611 8.647) 16.592 1.118 ( 1.548 6.892 -3.713) 7.980 1.232 ( -3.277 7.474 6.710) 10.565 1.512 ( -3.215 3.401 -13.861) 14.630 1.606 ( 3.188 2.379 4.090) 5.705 1.719 ( -3.148 2.616 1.362) 4.314 1.808 ( 3.750 -2.496 1.565) 4.769 1.851 ( 2.637 -6.550 5.296) 8.826 1.924 ( -1.899 -7.831 0.645) 8.084 1.958 ( -1.772 1.576 1.653) 2.891 2.076 ( 1.985 3.834 1.997) 4.757 2.177 ( 1.803 0.403 -1.239) 2.225 2.267 ( 2.987 2.097 1.132) 3.821 2.301 ( -1.403 -0.033 4.611) 4.819 2.447 ( 0.015 3.783 4.005) 5.509 2.483 ( 6.100 -0.809 4.755) 7.777 2.527 ( 4.533 -1.376 3.044) 5.631 2.633 ( 2.070 2.418 5.210) 6.106 2.780 ( 4.273 -0.384 -0.637) 4.338 2.837 ( 1.526 -3.525 -2.979) 4.861 2.916 ( -5.661 -3.638 0.416) 6.742 3.045 ( -2.742 0.701 -1.990) 3.460 3.070 ( -0.165 -1.285 -3.345) 3.587 3.137 ( -2.028 0.867 -6.044) 6.434 3.269 ( -1.419 0.326 -0.976) 1.753 3.281 ( 3.048 0.802 -0.758) 3.241 3.413 ( 1.909 6.245 2.985) 7.180 3.447 ( 0.574 -1.546 3.261) 3.655 3.575 ( 0.855 -0.357 0.084) 0.931 3.628 ( 0.209 0.889 -6.516) 6.580 3.738 ( 3.879 0.462 -0.282) 3.917 3.795 ( 7.743 -0.686 2.885) 8.292 3.846 ( -3.658 4.143 -1.666) 5.772 3.912 ( 2.255 4.365 -0.628) 4.953 3.993 ( 0.865 4.690 3.437) 5.879 4.054 ( -0.291 5.989 -1.210) 6.117 4.106 ( -1.358 1.922 2.388) 3.352 4.189 ( 0.942 -0.916 7.128) 7.249 4.231 ( -1.109 3.273 -5.090) 6.153 4.363 ( 1.906 -5.257 -0.824) 5.653 4.412 ( -1.322 -1.901 2.609) 3.488 4.461 ( -2.386 0.403 -2.217) 3.282 4.532 ( 2.408 2.458 0.207) 3.447 4.584 ( 3.491 -1.961 3.534) 5.341 4.627 ( 2.385 0.395 2.020) 3.150 4.793 ( 2.811 -5.992 -1.275) 6.741 4.828 ( -4.717 1.410 2.683) 5.607 4.872 ( -2.694 -1.042 1.794) 3.401 4.906 ( -1.946 3.059 -9.042) 9.742 4.952 ( 0.058 1.259 -2.836) 3.104 5.178 ( 0.344 -1.623 -0.482) 1.728 5.206 ( -0.025 -1.210 -2.579) 2.849 5.435 ( 2.699 -9.317 -0.799) 9.733 5.519 ( 2.988 -9.835 -0.713) 10.304 5.907 ( 1.809 -0.003 4.064) 4.448 5.976 ( 3.114 -1.093 0.323) 3.316 6.226 ( -4.645 2.785 -1.266) 5.562 6.275 ( -2.648 2.725 -1.841) 4.222 6.385 ( -1.311 2.980 -1.444) 3.561 6.472 ( -6.178 2.365 -0.618) 6.644 7.069 ( -0.556 1.888 1.542) 2.500 7.101 ( -0.405 1.881 -1.885) 2.694 7.234 ( -4.141 -0.858 4.988) 6.539 7.339 ( -7.851 -1.504 -5.081) 9.472 7.965 ( 1.680 0.871 2.954) 3.508 8.014 ( 0.723 0.078 -0.325) 0.797 8.104 ( -1.956 1.428 -1.541) 2.871 8.159 ( -3.317 0.360 -1.684) 3.738 8.475 ( 0.384 1.879 1.827) 2.649 8.550 ( 0.433 0.965 -3.216) 3.385 8.797 ( 2.077 -4.219 -0.446) 4.724 8.805 ( 1.239 -3.913 0.757) 4.174 9.159 ( 0.471 -0.217 1.494) 1.582 9.197 ( 0.468 -0.650 -0.862) 1.177 9.388 ( 1.491 0.394 3.135) 3.494 9.571 ( 1.235 -4.904 -2.760) 5.762 10.459 ( 0.616 -3.974 0.301) 4.033 10.477 ( 0.687 -4.217 -0.208) 4.277 10.728 ( 0.602 3.138 0.044) 3.195 10.759 ( -0.659 1.262 0.820) 1.643 10.832 ( -0.142 2.847 -2.568) 3.837 10.835 ( -1.153 2.795 -0.474) 3.060 11.055 ( -0.954 -1.369 1.102) 1.999 11.086 ( -1.179 -2.122 0.387) 2.459 11.501 ( 0.157 1.866 1.852) 2.634 11.558 ( -0.093 0.813 -2.257) 2.400 11.675 ( 1.489 -2.265 -0.128) 2.714 11.682 ( 0.650 -1.280 -1.246) 1.901 12.528 ( 0.605 0.553 1.332) 1.564 12.572 ( 0.579 0.768 -1.946) 2.170 12.615 ( -0.290 -0.584 2.233) 2.326 12.665 ( -0.117 -1.211 -2.716) 2.976 14.167 ( 0.174 0.007 -0.358) 0.398 14.194 ( -1.067 -0.260 1.824) 2.129 14.358 ( 2.041 0.209 -1.528) 2.558 14.444 ( -0.234 -2.048 -1.551) 2.580 14.574 ( 0.061 0.917 0.761) 1.193 14.618 ( -1.466 -0.099 1.282) 1.950 14.723 ( -2.083 0.631 -0.877) 2.346 14.744 ( -2.718 0.943 -0.328) 2.895 15.503 ( 1.832 -0.261 -0.852) 2.037 15.554 ( 0.536 -1.279 -0.719) 1.562 15.627 ( -0.224 0.530 0.327) 0.662 15.644 ( -0.293 0.454 0.098) 0.549 16.079 ( -0.402 -0.697 -0.306) 0.861 16.094 ( -0.897 -1.019 -0.172) 1.369 16.299 ( -1.765 0.139 1.606) 2.390 16.308 ( -1.691 -0.214 -0.371) 1.744 16.654 ( -0.471 0.358 1.000) 1.162 16.678 ( -0.960 -0.794 -0.496) 1.341 16.912 ( -0.745 3.161 2.842) 4.316 17.000 ( -0.931 0.156 -3.276) 3.409 17.098 ( 1.736 0.217 1.996) 2.654 17.173 ( 0.484 -1.033 -0.327) 1.186 17.294 ( 5.640 0.033 2.612) 6.215 17.355 ( 2.184 -0.472 1.870) 2.914 18.318 ( 0.957 -0.106 -0.035) 0.963 18.380 ( -4.486 -0.909 0.957) 4.676 18.486 ( 2.518 3.223 -1.380) 4.317 18.613 ( -3.390 3.518 0.760) 4.944 18.641 ( 0.581 1.278 0.915) 1.676 18.745 ( -1.681 1.855 -0.911) 2.664 18.856 ( 3.143 -2.480 0.619) 4.051 18.954 ( 1.001 -2.160 -1.528) 2.829 27.736 ( -0.392 -0.388 0.483) 0.733 27.746 ( -0.069 -0.107 -0.703) 0.715 27.922 ( 0.150 -4.004 1.538) 4.292 27.961 ( 0.130 -4.373 -1.381) 4.587 28.086 ( -0.084 0.090 0.879) 0.888 28.101 ( 0.271 -0.547 0.136) 0.626 28.124 ( 0.286 0.260 0.300) 0.490 28.181 ( 0.173 -0.926 -2.196) 2.390 28.899 ( 0.326 10.511 1.427) 10.612 28.919 ( 0.950 10.875 -0.919) 10.955 29.326 ( 2.714 2.657 0.799) 3.881 29.338 ( 3.740 4.579 1.581) 6.120 29.435 ( 1.849 1.357 -0.786) 2.424 29.479 ( 2.410 -1.648 -1.632) 3.345 29.504 ( -0.298 0.543 0.621) 0.877 29.694 ( 2.327 -2.059 -0.598) 3.164 29.971 ( -1.433 2.708 3.921) 4.976 30.119 ( 4.668 -0.402 -2.823) 5.470 30.326 ( -1.089 -2.463 -6.243) 6.799 30.466 ( -2.621 -3.052 0.413) 4.044 30.607 ( 0.395 2.330 5.450) 5.940 30.784 ( -4.791 -1.469 0.092) 5.011 30.940 ( -3.087 0.898 -6.043) 6.845 31.075 ( -9.663 1.915 -9.585) 13.745 31.238 ( 8.011 -11.053 8.144) 15.895 31.485 ( 4.233 -4.574 -3.969) 7.388 31.989 ( 16.605 1.621 7.002) 18.094 32.032 ( 8.018 -0.240 6.274) 10.184 32.566 ( -2.945 0.648 1.353) 3.305 32.701 ( -10.585 -3.084 -3.631) 11.607 32.739 ( -7.030 0.562 -4.119) 8.167 32.848 ( -8.365 -0.642 0.684) 8.418 ======================= Grid point 77 (43/48) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -3.569 15.669 7.921) 17.916 1.349 ( 1.401 9.008 -1.673) 9.268 1.423 ( 0.991 4.716 -0.690) 4.868 1.493 ( 2.182 -0.010 -5.834) 6.228 1.600 ( -3.192 -6.456 4.138) 8.306 1.716 ( 4.871 -7.916 -2.804) 9.708 1.783 ( 1.378 1.869 2.348) 3.302 1.812 ( 1.405 0.480 1.437) 2.067 1.885 ( 5.544 6.040 5.766) 10.024 2.000 ( 1.412 1.264 -3.319) 3.821 2.178 ( 1.356 -2.607 2.308) 3.737 2.192 ( 0.769 1.593 0.648) 1.884 2.240 ( 2.050 -3.826 -0.828) 4.419 2.270 ( -4.512 -6.637 -2.685) 8.463 2.468 ( 0.194 -0.906 1.386) 1.668 2.495 ( 1.967 -4.627 0.616) 5.065 2.513 ( -0.357 -1.919 -0.800) 2.109 2.544 ( -1.650 -2.955 -3.367) 4.774 2.782 ( -1.587 1.307 0.074) 2.058 2.814 ( 0.324 0.241 -1.392) 1.449 2.895 ( -4.131 10.947 10.615) 15.798 3.060 ( -2.967 -0.425 4.750) 5.617 3.122 ( -1.306 1.510 0.413) 2.039 3.126 ( 2.313 -0.276 -0.011) 2.329 3.269 ( -2.018 1.551 5.160) 5.753 3.322 ( 0.095 -1.090 1.538) 1.887 3.420 ( -0.685 1.118 2.367) 2.706 3.494 ( -1.462 -5.558 -2.180) 6.147 3.657 ( 2.873 5.286 -2.270) 6.430 3.743 ( -0.116 6.771 -6.942) 9.698 3.758 ( 0.893 -1.966 -1.209) 2.475 3.779 ( 3.593 2.839 0.519) 4.608 3.944 ( -0.308 4.426 0.944) 4.536 3.983 ( -2.994 2.469 -0.800) 3.962 4.049 ( -1.536 -3.090 4.480) 5.655 4.125 ( -2.516 -5.368 -2.372) 6.385 4.140 ( -0.403 7.330 0.994) 7.408 4.213 ( 0.464 -0.936 -4.040) 4.173 4.273 ( 1.734 -1.264 3.771) 4.339 4.314 ( 0.949 -0.807 1.595) 2.024 4.366 ( 3.554 -0.683 0.325) 3.634 4.465 ( 2.561 -3.010 0.648) 4.005 4.483 ( -0.188 -1.428 -0.354) 1.483 4.569 ( -3.886 -4.093 -2.680) 6.248 4.671 ( 0.633 5.186 3.392) 6.229 4.749 ( 0.713 -1.295 -2.016) 2.500 4.807 ( -2.296 3.995 6.159) 7.691 4.857 ( -2.015 1.153 2.428) 3.359 4.948 ( -3.050 1.458 1.137) 3.567 4.995 ( 0.511 3.198 -7.606) 8.267 5.085 ( -1.838 -2.934 -1.084) 3.628 5.180 ( 3.540 -6.828 -5.463) 9.433 5.304 ( -1.264 -1.319 1.136) 2.151 5.377 ( 1.769 -6.210 -5.168) 8.270 5.931 ( 0.894 -0.118 1.384) 1.652 5.953 ( 1.390 -2.138 -0.205) 2.559 6.282 ( -1.517 2.808 1.192) 3.407 6.309 ( -0.409 0.264 -0.739) 0.885 6.420 ( 0.427 1.685 -1.921) 2.590 6.426 ( 2.684 1.193 -2.299) 3.730 7.106 ( -0.662 1.706 1.064) 2.117 7.123 ( -0.364 0.317 -0.479) 0.680 7.193 ( 0.227 0.702 0.960) 1.211 7.219 ( 0.164 -1.463 -1.269) 1.943 8.014 ( 0.080 1.680 0.982) 1.948 8.038 ( 0.374 -0.176 -1.183) 1.254 8.101 ( -0.529 0.752 0.116) 0.927 8.116 ( -0.086 -0.335 -1.216) 1.265 8.561 ( -0.171 4.323 0.368) 4.342 8.583 ( 0.300 2.407 -1.558) 2.883 8.699 ( -1.050 -4.478 1.215) 4.758 8.722 ( 0.990 -5.525 -0.970) 5.696 9.180 ( 0.337 0.708 1.005) 1.274 9.195 ( 0.286 -0.622 -0.184) 0.709 9.412 ( 0.572 -0.252 2.424) 2.503 9.441 ( -2.213 -3.306 0.134) 3.981 10.414 ( 0.050 -1.333 0.003) 1.334 10.419 ( -0.132 -1.810 -0.412) 1.861 10.770 ( -0.315 1.611 -0.033) 1.642 10.781 ( 0.196 0.542 -1.014) 1.166 10.870 ( -0.181 1.554 -0.244) 1.584 10.873 ( -0.471 1.166 -0.559) 1.376 11.017 ( 0.727 -1.351 0.736) 1.701 11.023 ( 0.197 -2.004 0.331) 2.041 11.561 ( 0.316 2.453 0.173) 2.479 11.581 ( 0.159 1.177 -1.381) 1.822 11.636 ( -0.363 -1.273 -0.206) 1.340 11.656 ( 0.580 -2.263 -1.830) 2.967 12.552 ( -0.092 1.270 1.613) 2.055 12.580 ( -0.342 -0.787 0.873) 1.224 12.600 ( -0.055 0.622 -1.211) 1.362 12.631 ( 0.135 -1.858 -2.304) 2.963 14.170 ( -0.448 0.359 0.735) 0.932 14.180 ( 0.467 -0.598 -0.123) 0.768 14.402 ( 0.839 -0.010 -1.556) 1.768 14.403 ( 0.261 -0.114 -1.642) 1.666 14.604 ( 0.445 0.436 0.606) 0.869 14.609 ( 0.624 0.041 0.206) 0.659 14.704 ( -0.760 0.153 0.427) 0.885 14.705 ( -1.207 0.113 0.427) 1.285 15.522 ( -0.233 -0.052 -0.297) 0.381 15.528 ( 0.107 -0.643 -0.880) 1.096 15.647 ( 0.337 0.608 0.024) 0.695 15.652 ( 0.340 0.130 -0.429) 0.562 16.064 ( -0.656 -0.088 0.424) 0.786 16.069 ( 0.061 -0.559 0.013) 0.562 16.280 ( -0.066 0.370 0.819) 0.901 16.288 ( 0.370 -0.416 0.113) 0.568 16.646 ( -0.385 0.132 0.276) 0.492 16.654 ( -0.098 -0.591 -0.413) 0.728 16.965 ( -0.058 2.221 1.228) 2.539 16.991 ( -0.112 -0.291 -1.017) 1.064 17.141 ( 1.128 0.568 1.243) 1.772 17.157 ( 0.058 -0.810 -0.074) 0.815 17.359 ( -0.122 0.017 2.461) 2.464 17.364 ( 0.353 -0.583 2.086) 2.194 18.320 ( -0.849 0.220 0.443) 0.983 18.330 ( 0.600 -0.633 -0.301) 0.922 18.570 ( -1.432 3.258 1.651) 3.923 18.610 ( 1.883 -0.353 -1.949) 2.733 18.742 ( 0.031 3.108 1.733) 3.559 18.773 ( -0.921 3.223 -0.192) 3.358 18.837 ( -0.400 -1.935 1.048) 2.237 18.892 ( 0.827 -4.032 -2.876) 5.021 27.732 ( -0.149 0.591 0.150) 0.628 27.743 ( 0.041 -0.265 -0.943) 0.980 27.863 ( 0.044 -1.315 1.011) 1.660 27.882 ( 0.060 -2.860 -0.796) 2.969 28.090 ( -0.114 0.360 0.744) 0.834 28.098 ( 0.131 -0.415 0.574) 0.721 28.136 ( 0.111 0.548 -0.571) 0.799 28.155 ( -0.248 -1.174 -1.680) 2.065 29.109 ( -0.597 7.735 1.308) 7.867 29.132 ( 0.479 5.782 -0.801) 5.857 29.388 ( 1.359 0.301 2.910) 3.226 29.426 ( -0.282 -2.816 -0.082) 2.831 29.477 ( -0.235 3.349 2.735) 4.330 29.513 ( 0.027 0.345 1.382) 1.425 29.572 ( 1.355 3.806 -0.023) 4.040 29.647 ( -2.371 -2.120 -4.526) 5.532 29.995 ( -2.606 2.921 6.470) 7.562 30.072 ( -4.226 -3.974 1.579) 6.011 30.246 ( -2.175 0.119 -1.552) 2.674 30.295 ( 0.984 -4.186 -4.274) 6.063 30.755 ( 4.602 3.605 3.634) 6.884 30.809 ( 1.718 -0.799 -0.549) 1.973 30.934 ( 2.227 6.783 1.355) 7.267 31.038 ( -6.453 9.166 -6.815) 13.119 31.122 ( 4.953 -10.932 6.844) 13.816 31.275 ( -4.931 -12.994 -6.538) 15.359 32.198 ( 4.787 1.742 3.419) 6.135 32.240 ( 3.597 -2.381 0.162) 4.317 32.486 ( -2.390 -0.025 -0.821) 2.527 32.505 ( -1.721 -1.818 -2.053) 3.238 32.717 ( 1.961 0.741 -1.514) 2.586 32.719 ( -1.501 0.509 -1.611) 2.260 ======================= Grid point 78 (44/48) ======================= q-point: ( 0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.639 11.489 4.050) 12.199 1.337 ( -2.717 -1.019 -3.160) 4.290 1.442 ( 2.498 7.100 -3.501) 8.301 1.558 ( 2.475 -1.716 -3.248) 4.429 1.601 ( 2.101 2.141 1.875) 3.537 1.746 ( -1.808 -5.801 0.211) 6.080 1.814 ( -1.632 4.832 -3.433) 6.148 1.861 ( 4.902 2.484 0.341) 5.506 1.919 ( 2.055 -3.433 -3.861) 5.560 2.008 ( -5.098 -4.777 -3.366) 7.755 2.143 ( 4.294 9.076 3.280) 10.563 2.210 ( -1.853 2.837 -2.566) 4.250 2.260 ( -1.153 -1.817 -1.433) 2.585 2.332 ( 5.662 -4.661 0.797) 7.376 2.453 ( -0.505 1.750 0.660) 1.937 2.500 ( 0.479 -0.159 -0.669) 0.838 2.526 ( 1.542 -2.969 -0.062) 3.346 2.566 ( 2.559 -7.326 2.964) 8.307 2.754 ( -0.829 3.066 -1.036) 3.341 2.812 ( -1.598 6.716 6.001) 9.147 2.838 ( 0.675 -1.313 -1.599) 2.177 2.957 ( -6.088 -0.694 1.875) 6.408 3.103 ( -2.965 -0.703 3.861) 4.918 3.139 ( -0.231 -4.407 6.304) 7.695 3.226 ( -1.582 3.203 4.924) 6.083 3.305 ( -1.424 -2.596 3.915) 4.909 3.400 ( -1.458 1.066 1.553) 2.382 3.439 ( -4.027 -2.411 -2.165) 5.170 3.658 ( -1.362 3.082 0.835) 3.472 3.674 ( -3.700 4.393 -2.767) 6.376 3.798 ( 2.196 5.593 -6.220) 8.648 3.859 ( -5.495 4.727 3.497) 8.048 3.883 ( -4.970 0.524 -1.675) 5.271 3.922 ( 3.813 -0.136 -1.845) 4.238 4.026 ( -1.853 -0.994 3.309) 3.921 4.052 ( -3.253 -2.978 0.386) 4.427 4.167 ( 1.968 5.429 3.448) 6.726 4.230 ( 3.034 1.443 -2.483) 4.177 4.296 ( 0.018 -1.279 -0.026) 1.279 4.367 ( 3.507 -5.287 0.572) 6.370 4.429 ( 1.396 1.270 -0.070) 1.889 4.446 ( -1.254 4.264 -3.540) 5.682 4.507 ( -1.536 -0.570 -1.987) 2.575 4.528 ( 1.012 -7.187 3.563) 8.085 4.674 ( -0.077 5.227 5.481) 7.575 4.743 ( -1.414 1.277 -1.426) 2.380 4.784 ( -0.694 -3.314 6.233) 7.093 4.825 ( -1.299 -2.070 1.421) 2.827 4.894 ( -1.372 1.958 0.681) 2.486 4.972 ( -1.168 -3.136 -3.741) 5.019 5.064 ( -1.674 4.035 -1.262) 4.548 5.208 ( -0.841 -8.178 -0.984) 8.280 5.272 ( -0.966 2.709 -1.638) 3.310 5.390 ( -0.014 -7.363 -6.535) 9.845 5.937 ( -1.300 0.684 0.573) 1.577 5.962 ( -1.333 -1.680 -0.763) 2.276 6.278 ( 3.061 2.161 -1.011) 3.881 6.304 ( 1.823 -0.224 -0.955) 2.070 6.475 ( 3.364 3.893 -2.009) 5.523 6.526 ( 5.037 -0.778 -2.678) 5.757 7.102 ( 1.425 2.645 2.602) 3.975 7.130 ( 2.007 0.619 0.821) 2.255 7.237 ( 2.985 1.034 0.560) 3.208 7.293 ( 5.791 -3.887 -3.277) 7.706 8.005 ( -0.632 1.091 0.283) 1.292 8.027 ( -1.076 -0.704 -1.626) 2.073 8.113 ( 1.617 1.642 0.188) 2.312 8.143 ( 1.911 -0.855 -0.397) 2.131 8.539 ( -1.467 3.752 -0.194) 4.033 8.583 ( -0.787 1.604 -1.110) 2.104 8.677 ( -1.085 -3.128 1.154) 3.507 8.724 ( -0.970 -5.129 -0.526) 5.246 9.172 ( -0.596 0.362 0.141) 0.711 9.185 ( -1.036 -0.897 -0.719) 1.547 9.409 ( -0.812 -0.263 1.249) 1.512 9.428 ( 0.492 -1.826 3.321) 3.822 10.401 ( -1.217 -1.719 0.068) 2.107 10.403 ( -1.213 -1.814 -0.243) 2.196 10.774 ( 0.751 2.062 0.121) 2.198 10.793 ( 0.986 0.478 -0.448) 1.184 10.860 ( -0.682 1.226 0.087) 1.406 10.870 ( 0.061 0.620 -0.465) 0.777 11.044 ( 1.895 -1.030 -0.185) 2.165 11.051 ( 2.393 -1.415 -0.212) 2.788 11.559 ( -0.330 2.133 -0.098) 2.161 11.583 ( -0.077 0.787 -1.373) 1.584 11.623 ( -0.788 -0.067 -0.085) 0.796 11.658 ( -0.374 -2.304 -1.956) 3.045 12.549 ( -0.260 1.418 1.506) 2.085 12.574 ( -0.189 -0.537 0.946) 1.104 12.599 ( 0.029 0.794 -0.879) 1.185 12.636 ( 0.346 -2.168 -2.390) 3.245 14.166 ( 0.139 0.924 0.553) 1.086 14.190 ( 0.426 -1.461 0.194) 1.534 14.388 ( -1.009 1.176 -2.520) 2.958 14.414 ( -0.586 -1.266 -1.801) 2.278 14.612 ( 0.909 1.048 -0.419) 1.449 14.629 ( 1.259 -0.620 -0.359) 1.449 14.709 ( 1.657 0.924 1.876) 2.669 14.725 ( 2.140 -0.555 1.471) 2.655 15.502 ( -1.274 0.772 -0.393) 1.540 15.524 ( -0.769 -1.311 -0.477) 1.593 15.650 ( 0.029 0.720 -0.603) 0.939 15.659 ( 0.207 -0.058 -0.756) 0.786 16.055 ( -0.016 0.183 0.780) 0.801 16.070 ( 0.140 -1.129 0.372) 1.197 16.301 ( 1.800 0.807 0.751) 2.111 16.316 ( 2.004 -0.578 0.075) 2.087 16.651 ( 0.859 0.069 0.623) 1.063 16.661 ( 0.815 -0.815 0.130) 1.160 16.970 ( 0.507 2.080 1.374) 2.544 16.992 ( 0.230 0.057 -0.808) 0.842 17.144 ( -1.103 0.255 -0.899) 1.446 17.152 ( -0.153 -0.522 -0.002) 0.544 17.315 ( -3.650 0.873 1.781) 4.154 17.338 ( -3.252 -1.190 2.121) 4.061 18.317 ( 0.346 0.855 0.357) 0.989 18.350 ( 1.433 -2.320 0.200) 2.734 18.556 ( -0.239 6.100 1.220) 6.225 18.660 ( 2.394 -3.158 -0.898) 4.063 18.707 ( -1.599 1.963 -0.366) 2.558 18.752 ( -2.270 -1.311 1.862) 3.215 18.814 ( -1.032 3.384 -1.096) 3.704 18.902 ( -0.250 -3.658 -1.183) 3.853 27.732 ( 0.191 0.656 0.219) 0.718 27.746 ( 0.272 -0.426 -0.767) 0.919 27.863 ( -0.091 -1.323 0.905) 1.605 27.882 ( -0.030 -2.824 -0.806) 2.936 28.085 ( -0.392 0.467 0.711) 0.936 28.097 ( -0.281 -0.659 0.510) 0.880 28.136 ( -0.080 0.242 -0.441) 0.510 28.148 ( -0.360 -0.792 -1.549) 1.776 29.093 ( -0.989 7.642 1.304) 7.815 29.134 ( -0.296 4.794 -0.883) 4.884 29.390 ( -2.251 0.433 3.052) 3.817 29.397 ( -3.073 0.333 -1.707) 3.531 29.435 ( -2.883 3.281 1.841) 4.740 29.486 ( -2.358 -0.494 -0.653) 2.496 29.530 ( -5.121 2.921 -0.313) 5.904 29.582 ( -1.392 -2.194 2.233) 3.426 29.985 ( -0.420 0.379 5.767) 5.794 30.023 ( 1.711 -2.890 7.049) 7.808 30.239 ( 0.013 4.639 -0.532) 4.670 30.348 ( 2.450 -5.739 -0.087) 6.241 30.802 ( -0.868 1.293 -5.037) 5.272 30.821 ( 2.396 -0.354 -0.626) 2.501 30.894 ( -4.881 10.206 -2.413) 11.568 31.078 ( 8.019 5.937 2.836) 10.373 31.142 ( -7.074 -13.155 -5.580) 15.945 31.233 ( 5.412 -8.720 4.657) 11.270 32.111 ( -10.774 0.955 -2.614) 11.127 32.135 ( -10.390 -1.445 -3.787) 11.152 32.553 ( 6.804 0.195 3.794) 7.792 32.571 ( 6.922 -1.358 0.907) 7.112 32.771 ( 5.535 3.561 -2.484) 7.035 32.854 ( 9.066 -4.575 -4.345) 11.045 ======================= Grid point 79 (45/48) ======================= q-point: ( 0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -0.351 3.748 -3.056) 4.848 1.265 ( -3.631 -3.283 -5.389) 7.280 1.492 ( 2.298 6.825 -5.850) 9.278 1.568 ( -3.087 1.367 -4.560) 5.674 1.632 ( 0.695 -1.509 -2.791) 3.248 1.680 ( -5.543 -5.531 -0.891) 7.881 1.762 ( 0.940 3.651 1.454) 4.041 1.854 ( -3.015 -2.363 0.088) 3.832 1.974 ( 0.421 3.076 1.079) 3.287 2.007 ( 4.912 -1.465 0.132) 5.128 2.155 ( -2.033 1.621 -2.972) 3.949 2.181 ( -4.614 0.439 -2.127) 5.100 2.257 ( 4.788 8.883 2.270) 10.343 2.393 ( -0.628 -0.803 5.504) 5.598 2.494 ( -0.778 0.418 -2.763) 2.901 2.504 ( 4.066 2.040 -1.700) 4.856 2.544 ( -1.793 -3.964 0.044) 4.351 2.609 ( 3.170 -2.996 3.186) 5.401 2.750 ( -0.913 8.621 -4.096) 9.588 2.782 ( -1.813 1.340 -3.412) 4.090 2.862 ( 2.225 -3.824 4.206) 6.105 2.928 ( 3.076 -3.151 -1.178) 4.558 3.056 ( 0.288 0.484 4.572) 4.606 3.141 ( -0.009 -3.393 5.547) 6.502 3.229 ( 1.189 2.949 4.421) 5.446 3.298 ( 1.623 -0.502 3.709) 4.080 3.355 ( -3.119 0.589 0.650) 3.240 3.379 ( -0.588 -2.416 0.578) 2.553 3.581 ( -3.947 4.948 1.562) 6.520 3.631 ( -5.245 1.160 -1.273) 5.521 3.690 ( -6.646 2.785 -1.133) 7.295 3.761 ( -7.598 -2.028 -0.856) 7.910 3.858 ( 2.833 6.138 1.124) 6.853 3.966 ( -0.145 2.999 -1.237) 3.247 4.028 ( 0.863 -1.158 6.763) 6.915 4.036 ( 3.739 -8.258 -1.030) 9.123 4.185 ( -0.788 4.362 2.029) 4.875 4.263 ( -0.702 -1.780 -2.596) 3.225 4.308 ( 0.855 5.701 -0.247) 5.770 4.361 ( -2.894 2.561 -4.423) 5.873 4.439 ( -0.744 -1.599 3.558) 3.972 4.467 ( 1.473 -1.575 3.760) 4.334 4.505 ( 3.564 1.403 -1.597) 4.149 4.555 ( 1.706 -3.814 0.396) 4.196 4.665 ( -1.471 4.426 3.746) 5.982 4.685 ( -3.297 1.341 2.545) 4.376 4.772 ( -2.312 -3.462 7.919) 8.946 4.818 ( 2.144 -4.769 -3.081) 6.069 4.916 ( 2.343 2.258 -2.473) 4.087 4.968 ( -0.240 -2.941 -3.311) 4.435 5.022 ( -0.345 3.155 1.911) 3.705 5.156 ( -3.769 -8.386 1.034) 9.252 5.272 ( 0.860 2.758 -3.236) 4.338 5.378 ( -0.992 -6.323 -7.084) 9.547 5.877 ( -3.377 1.146 0.677) 3.630 5.917 ( -3.048 -2.530 -1.535) 4.248 6.367 ( 5.151 2.136 -0.796) 5.633 6.387 ( 5.043 0.517 -0.818) 5.135 6.516 ( 0.928 4.248 -1.893) 4.742 6.576 ( 0.230 -1.478 -2.189) 2.651 7.157 ( 3.048 3.824 3.788) 6.186 7.204 ( 4.657 1.857 1.635) 5.274 7.284 ( 1.629 1.193 1.137) 2.317 7.396 ( 4.493 -7.199 -5.872) 10.320 7.987 ( -1.444 0.781 0.479) 1.710 8.005 ( -1.048 -0.832 -1.996) 2.403 8.147 ( 1.654 1.100 -0.289) 2.007 8.171 ( 0.861 -0.909 -0.691) 1.430 8.515 ( -0.846 3.108 -0.217) 3.229 8.552 ( -2.013 0.676 -0.792) 2.267 8.659 ( -0.697 -2.481 1.175) 2.832 8.692 ( -1.745 -4.224 -0.114) 4.571 9.169 ( 0.100 -0.008 -0.158) 0.187 9.174 ( 0.138 -0.506 -1.171) 1.284 9.408 ( 0.525 0.583 1.356) 1.566 9.428 ( -0.513 -1.285 2.744) 3.072 10.377 ( -1.032 -1.934 0.073) 2.193 10.380 ( -1.014 -2.196 -0.109) 2.421 10.794 ( 1.102 2.338 0.425) 2.619 10.813 ( 0.818 0.999 0.521) 1.393 10.846 ( -0.654 1.447 0.317) 1.619 10.873 ( 0.365 -0.508 -1.787) 1.893 11.084 ( 1.842 -0.137 -0.238) 1.862 11.096 ( 1.912 -1.177 -0.572) 2.317 11.551 ( -0.504 1.887 0.354) 1.985 11.575 ( -0.572 0.114 -1.177) 1.314 11.610 ( -0.533 0.527 0.163) 0.767 11.643 ( -0.843 -2.020 -1.938) 2.923 12.547 ( -0.043 1.673 1.429) 2.200 12.574 ( 0.133 -0.413 0.702) 0.825 12.599 ( -0.006 1.021 -0.843) 1.324 12.639 ( 0.136 -2.235 -2.535) 3.382 14.175 ( 0.691 0.618 0.651) 1.134 14.194 ( -0.014 -1.248 0.494) 1.343 14.367 ( -0.762 0.786 -2.509) 2.738 14.385 ( -1.834 -0.873 -1.562) 2.563 14.638 ( 1.265 0.876 -0.022) 1.539 14.652 ( 0.835 -0.453 -0.118) 0.957 14.752 ( 2.288 0.962 1.574) 2.939 14.770 ( 2.022 -0.615 0.910) 2.300 15.481 ( -0.621 0.772 -0.431) 1.080 15.502 ( -1.300 -1.099 -0.365) 1.741 15.650 ( -0.010 0.457 -0.686) 0.825 15.658 ( -0.225 -0.259 -0.767) 0.840 16.064 ( 0.760 -0.177 0.786) 1.108 16.076 ( 0.386 -1.195 0.444) 1.332 16.336 ( 1.522 0.992 0.941) 2.046 16.351 ( 1.338 -0.380 0.304) 1.423 16.676 ( 1.462 -0.063 0.794) 1.665 16.682 ( 1.080 -0.561 0.714) 1.411 16.982 ( 0.504 1.682 1.310) 2.191 16.994 ( -0.038 0.531 -0.456) 0.701 17.118 ( -1.252 0.631 -1.115) 1.791 17.140 ( -1.040 -1.437 -0.731) 1.918 17.246 ( -2.812 0.912 1.252) 3.210 17.265 ( -3.553 -0.806 1.899) 4.109 18.331 ( 1.092 1.534 0.229) 1.897 18.372 ( 0.257 -2.085 0.231) 2.113 18.552 ( 0.256 4.419 1.698) 4.741 18.653 ( -2.965 -4.599 1.122) 5.585 18.706 ( 1.414 1.633 -1.530) 2.647 18.741 ( 0.472 -0.314 0.050) 0.570 18.801 ( 0.492 2.950 -1.433) 3.316 18.876 ( -2.276 -3.135 0.021) 3.874 27.738 ( 0.380 0.589 0.245) 0.743 27.752 ( 0.264 -0.386 -0.638) 0.791 27.861 ( -0.171 -1.330 0.924) 1.629 27.880 ( -0.128 -2.833 -0.767) 2.938 28.080 ( -0.127 0.312 0.742) 0.815 28.091 ( -0.263 -0.776 0.542) 0.983 28.132 ( -0.286 0.180 -0.603) 0.691 28.141 ( -0.233 -0.614 -1.449) 1.590 29.077 ( -0.501 7.492 1.060) 7.583 29.120 ( -0.997 5.204 -1.207) 5.434 29.296 ( -4.395 1.125 0.690) 4.589 29.323 ( -4.008 0.338 0.189) 4.027 29.409 ( -0.283 3.209 0.769) 3.312 29.445 ( -2.032 1.415 -0.541) 2.535 29.495 ( 0.798 -0.300 1.746) 1.943 29.553 ( -1.656 -4.222 2.444) 5.152 30.003 ( 1.985 3.462 5.718) 6.973 30.092 ( 3.860 -4.035 6.562) 8.616 30.217 ( -1.939 6.243 0.482) 6.555 30.356 ( -1.556 -6.400 0.397) 6.598 30.804 ( 1.405 2.692 -4.774) 5.658 30.819 ( -2.887 7.509 0.902) 8.095 30.867 ( 2.416 -2.908 -3.020) 4.839 31.011 ( -5.505 -10.129 -4.702) 12.451 31.233 ( 7.347 5.143 2.830) 9.404 31.344 ( 5.257 -5.267 1.221) 7.541 31.893 ( -9.986 0.307 -3.977) 10.753 31.919 ( -10.700 -2.154 -2.526) 11.203 32.672 ( 5.011 2.012 5.638) 7.807 32.727 ( 7.164 -2.968 3.986) 8.719 32.871 ( 4.257 4.549 -5.285) 8.170 32.983 ( 3.771 -6.023 -6.634) 9.721 ======================= Grid point 80 (46/48) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -2.041 -0.100 -3.355) 3.928 1.220 ( 0.927 -4.086 -6.632) 7.845 1.466 ( -3.896 1.505 -3.711) 5.587 1.488 ( -3.900 2.464 -5.048) 6.838 1.589 ( -0.315 2.018 0.876) 2.222 1.654 ( 1.383 -2.429 -4.362) 5.181 1.826 ( 1.543 0.866 3.350) 3.788 1.848 ( -0.456 -0.218 0.979) 1.102 1.975 ( 3.378 4.293 5.267) 7.588 2.049 ( 0.663 -1.206 0.765) 1.575 2.084 ( -5.796 1.234 -2.059) 6.274 2.118 ( -3.377 -1.723 -2.132) 4.349 2.341 ( 3.398 3.386 2.680) 5.495 2.381 ( 1.011 5.019 3.338) 6.112 2.435 ( -3.215 -0.846 0.115) 3.326 2.512 ( -0.967 -1.138 4.872) 5.096 2.555 ( -3.444 2.789 0.084) 4.432 2.637 ( -0.562 -2.821 2.541) 3.838 2.705 ( -1.243 3.142 -5.219) 6.217 2.760 ( 2.005 -1.676 -5.664) 6.238 2.926 ( 1.109 3.185 1.687) 3.771 2.987 ( 3.591 -1.096 -2.290) 4.398 3.134 ( 5.161 -0.531 1.571) 5.421 3.149 ( -2.107 -1.962 1.495) 3.244 3.271 ( 4.612 3.176 -0.396) 5.613 3.295 ( -1.054 0.885 -1.383) 1.951 3.369 ( 0.421 0.997 2.959) 3.151 3.395 ( 1.562 -0.903 0.467) 1.864 3.517 ( 1.810 4.050 1.822) 4.796 3.538 ( -2.057 4.003 2.460) 5.129 3.619 ( -4.354 -3.348 0.206) 5.496 3.653 ( 1.045 -3.932 -2.933) 5.016 3.893 ( -0.007 5.627 4.634) 7.290 3.978 ( 1.003 0.763 -0.517) 1.362 4.063 ( 1.552 -1.500 4.419) 4.918 4.097 ( 0.062 -6.208 0.526) 6.230 4.150 ( -0.852 4.888 3.959) 6.348 4.218 ( -3.014 -0.655 -0.623) 3.147 4.292 ( -1.702 3.584 -2.341) 4.607 4.325 ( -0.515 1.275 -2.130) 2.536 4.433 ( -0.015 1.274 7.474) 7.581 4.487 ( -0.147 -0.403 2.835) 2.868 4.542 ( -0.246 1.884 -0.963) 2.130 4.566 ( -0.582 0.417 -2.483) 2.584 4.627 ( -1.384 2.105 5.480) 6.032 4.693 ( 2.979 -1.148 1.241) 3.425 4.755 ( 0.682 -0.917 2.306) 2.574 4.864 ( 2.642 -7.363 -2.627) 8.252 4.935 ( -0.671 1.389 -0.202) 1.556 4.950 ( -0.088 1.262 -1.210) 1.750 5.084 ( 4.671 -2.539 -1.429) 5.505 5.108 ( -0.078 -5.210 -3.529) 6.294 5.285 ( 0.177 0.456 -1.480) 1.559 5.338 ( -2.560 -4.165 -6.104) 7.820 5.841 ( -0.124 -0.031 0.932) 0.940 5.867 ( -1.244 -2.431 -1.313) 3.030 6.430 ( -0.722 2.550 0.782) 2.763 6.445 ( 0.958 1.319 -0.265) 1.652 6.518 ( -1.211 2.541 -0.317) 2.833 6.558 ( -0.064 -0.817 -3.289) 3.389 7.191 ( -0.146 4.294 3.895) 5.799 7.263 ( 0.328 2.857 1.286) 3.151 7.299 ( -0.233 0.492 2.256) 2.321 7.441 ( 0.041 -7.734 -6.654) 10.203 7.958 ( -1.085 1.269 1.641) 2.341 7.986 ( -0.560 -1.338 -0.762) 1.638 8.167 ( 0.302 0.980 -0.835) 1.323 8.187 ( 1.095 -1.128 -2.514) 2.965 8.509 ( 0.080 2.318 0.356) 2.346 8.523 ( -0.251 0.777 -0.771) 1.123 8.657 ( 0.445 -2.524 0.956) 2.735 8.673 ( -0.037 -3.606 -0.451) 3.635 9.168 ( -0.455 0.251 0.016) 0.520 9.177 ( -0.040 -0.617 -0.783) 0.998 9.418 ( -0.413 0.384 1.530) 1.630 9.430 ( 1.559 -0.713 0.579) 1.810 10.367 ( 0.042 -2.123 0.117) 2.126 10.369 ( -0.090 -2.242 -0.047) 2.245 10.807 ( -0.234 2.018 1.167) 2.342 10.819 ( -0.071 2.062 0.648) 2.162 10.846 ( 0.741 1.162 -0.420) 1.441 10.880 ( 0.338 -0.720 -2.763) 2.875 11.102 ( -0.239 -0.103 0.454) 0.523 11.112 ( -0.482 -0.879 -0.538) 1.137 11.541 ( -0.485 1.678 1.030) 2.028 11.567 ( -0.107 -0.465 -0.638) 0.797 11.604 ( -0.010 0.642 0.140) 0.657 11.633 ( -0.004 -1.695 -1.889) 2.538 12.547 ( -0.003 1.842 1.372) 2.297 12.579 ( 0.291 -0.471 0.317) 0.638 12.599 ( 0.107 0.992 -0.940) 1.370 12.639 ( 0.014 -2.056 -2.611) 3.323 14.187 ( 0.326 -0.175 0.903) 0.976 14.190 ( -0.448 -0.441 0.610) 0.875 14.355 ( -0.831 0.385 -1.373) 1.651 14.364 ( 0.461 -0.449 -2.153) 2.247 14.643 ( -0.779 0.722 1.502) 1.839 14.657 ( -0.362 -0.497 0.293) 0.681 14.785 ( 0.764 0.787 0.518) 1.212 14.797 ( 0.700 -0.273 -0.419) 0.860 15.480 ( 0.129 -0.029 -0.338) 0.363 15.483 ( -0.047 -0.256 -0.529) 0.590 15.648 ( -0.153 0.082 -0.347) 0.388 15.651 ( -0.286 -0.194 -0.540) 0.642 16.077 ( 0.323 -0.593 0.602) 0.904 16.081 ( 0.002 -0.945 0.274) 0.984 16.354 ( 0.154 0.787 1.033) 1.307 16.362 ( -0.230 -0.016 0.369) 0.435 16.695 ( 0.017 0.070 0.861) 0.864 16.698 ( 0.464 -0.213 0.623) 0.806 16.984 ( -0.335 1.395 0.998) 1.747 16.993 ( 0.101 0.434 0.047) 0.448 17.102 ( -0.188 0.144 0.403) 0.468 17.116 ( -1.256 -0.919 -0.637) 1.682 17.220 ( -0.495 0.390 1.424) 1.557 17.230 ( 0.762 -0.522 0.627) 1.117 18.348 ( -0.700 1.529 1.092) 2.005 18.365 ( 0.485 0.058 -0.412) 0.638 18.583 ( 1.596 -0.205 1.135) 1.970 18.609 ( 0.457 -2.498 -1.078) 2.759 18.707 ( -2.766 3.339 1.985) 4.768 18.745 ( 1.271 0.670 -1.181) 1.860 18.820 ( -2.423 -0.820 0.167) 2.564 18.842 ( 2.171 -2.108 -1.336) 3.308 27.744 ( 0.140 0.431 0.221) 0.504 27.754 ( -0.022 -0.174 -0.674) 0.696 27.858 ( -0.090 -1.342 1.055) 1.709 27.878 ( -0.018 -2.863 -0.739) 2.957 28.081 ( 0.138 0.092 0.769) 0.786 28.088 ( -0.111 -0.601 0.561) 0.830 28.127 ( -0.101 0.355 -0.813) 0.893 28.140 ( 0.273 -0.826 -1.483) 1.719 29.079 ( 0.623 7.545 0.841) 7.618 29.100 ( -0.644 6.716 -1.167) 6.847 29.259 ( 0.421 -0.729 1.122) 1.403 29.271 ( -1.011 -0.714 0.012) 1.238 29.416 ( 0.353 2.974 0.269) 3.007 29.423 ( 0.449 2.610 -0.367) 2.674 29.524 ( -0.876 -3.012 1.441) 3.452 29.527 ( 1.625 -2.235 1.317) 3.061 30.056 ( 2.900 5.354 5.546) 8.236 30.132 ( -1.234 3.358 -0.099) 3.579 30.220 ( 3.731 -2.643 5.632) 7.254 30.312 ( -2.227 -6.462 -1.927) 7.101 30.771 ( -2.305 6.504 1.503) 7.062 30.841 ( 2.239 2.390 -4.278) 5.388 30.905 ( 0.613 -4.252 -1.861) 4.681 30.930 ( -2.020 -7.182 -3.412) 8.204 31.357 ( 4.701 3.576 0.590) 5.936 31.404 ( -0.006 -0.814 -3.456) 3.550 31.751 ( -5.300 -1.490 1.494) 5.705 31.768 ( -1.635 -3.066 -0.068) 3.476 32.733 ( 0.506 3.879 6.535) 7.616 32.822 ( 1.806 -4.198 4.570) 6.463 32.916 ( 0.615 2.521 -6.739) 7.222 32.991 ( -2.188 -4.275 -7.246) 8.693 ======================= Grid point 81 (47/48) ======================= q-point: (-0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 3.655 4.351 -1.761) 5.948 1.268 ( 2.944 -2.746 -5.843) 7.095 1.425 ( -0.964 2.268 -0.274) 2.480 1.447 ( 0.956 0.411 2.546) 2.751 1.593 ( -0.059 4.342 1.685) 4.658 1.691 ( 2.459 -3.859 -1.620) 4.854 1.789 ( -2.274 1.575 3.009) 4.087 1.828 ( -4.010 -1.813 0.784) 4.471 1.940 ( -5.349 0.669 3.052) 6.195 2.001 ( -6.808 -4.164 1.855) 8.193 2.088 ( 2.794 1.700 1.588) 3.635 2.119 ( 5.808 -1.121 2.276) 6.338 2.334 ( -4.235 10.766 -4.624) 12.459 2.413 ( -2.973 0.262 1.143) 3.196 2.429 ( 2.716 -0.429 2.337) 3.609 2.452 ( -0.582 3.485 5.194) 6.282 2.482 ( -1.877 1.166 3.080) 3.790 2.618 ( 0.377 -7.032 0.400) 7.053 2.759 ( 3.960 1.653 -2.739) 5.091 2.783 ( 0.430 0.267 -2.340) 2.394 2.944 ( 0.312 0.387 -2.996) 3.036 3.017 ( -0.967 -3.408 -4.108) 5.424 3.114 ( 0.257 0.888 1.539) 1.795 3.133 ( -1.583 -0.717 1.933) 2.600 3.280 ( 0.839 3.233 -2.941) 4.450 3.337 ( -1.926 -0.959 -1.088) 2.411 3.413 ( 5.452 1.888 -1.132) 5.880 3.460 ( 2.666 -2.824 2.025) 4.379 3.544 ( 1.107 3.525 -1.194) 3.883 3.561 ( 2.756 4.675 4.409) 6.992 3.672 ( 7.528 1.889 0.645) 7.788 3.707 ( 2.817 0.803 2.720) 3.997 3.880 ( 0.840 1.035 -1.387) 1.924 3.983 ( -0.629 -5.374 0.909) 5.486 4.019 ( -3.409 1.832 -2.510) 4.613 4.099 ( 1.920 -2.164 1.273) 3.161 4.187 ( 0.459 0.036 5.697) 5.716 4.198 ( 1.031 8.019 6.198) 10.187 4.251 ( -0.524 -0.495 -1.680) 1.828 4.312 ( -2.158 0.704 -0.786) 2.402 4.424 ( -1.466 0.403 3.382) 3.708 4.465 ( -1.999 -3.450 4.170) 5.770 4.553 ( 0.016 1.377 -3.155) 3.443 4.573 ( 2.321 1.231 -1.926) 3.257 4.595 ( -0.997 4.192 3.610) 5.622 4.724 ( 0.101 -2.314 2.373) 3.316 4.804 ( 3.411 0.743 -1.912) 3.980 4.881 ( -0.887 -4.802 2.900) 5.680 4.944 ( 1.671 0.914 -2.635) 3.251 4.982 ( 3.592 -2.123 -7.523) 8.602 5.113 ( -0.937 0.030 -3.993) 4.102 5.158 ( 1.987 -3.082 -0.966) 3.792 5.272 ( -0.858 -1.817 -0.945) 2.220 5.307 ( 0.787 -4.839 -4.059) 6.364 5.865 ( 2.073 -0.313 2.608) 3.347 5.881 ( 2.437 -1.768 0.454) 3.044 6.368 ( -4.306 1.848 -0.342) 4.698 6.384 ( -5.847 -0.013 -1.294) 5.989 6.497 ( -1.117 4.471 -0.291) 4.617 6.559 ( -1.294 -1.379 -0.678) 2.009 7.160 ( -2.807 3.483 3.292) 5.554 7.212 ( -4.649 0.955 1.952) 5.132 7.280 ( -1.759 2.054 0.822) 2.826 7.393 ( -4.239 -5.990 -5.664) 9.270 7.960 ( 1.130 1.557 1.729) 2.586 7.989 ( 0.871 -1.126 -0.003) 1.424 8.164 ( -0.789 1.414 -1.619) 2.290 8.192 ( -0.872 -1.347 -2.056) 2.608 8.514 ( 0.811 2.975 -0.042) 3.084 8.546 ( 1.976 0.482 -0.448) 2.083 8.674 ( 1.121 -2.976 0.098) 3.182 8.688 ( 1.369 -3.752 -0.043) 3.995 9.156 ( -0.420 0.405 0.416) 0.716 9.171 ( -0.276 -1.018 -0.278) 1.091 9.415 ( -0.146 1.955 0.773) 2.107 9.462 ( 1.422 -2.645 -0.079) 3.004 10.377 ( 0.941 -1.913 0.069) 2.133 10.380 ( 1.170 -2.250 -0.072) 2.537 10.795 ( -0.734 2.374 0.272) 2.500 10.810 ( -0.934 1.403 0.775) 1.855 10.865 ( 1.018 0.855 -0.888) 1.599 10.881 ( -0.046 0.183 -2.778) 2.785 11.074 ( -2.441 -0.631 0.654) 2.605 11.080 ( -2.291 -0.951 0.643) 2.563 11.538 ( 0.190 1.996 1.110) 2.292 11.571 ( 0.529 -0.517 -0.527) 0.908 11.611 ( 0.686 0.114 0.020) 0.696 11.639 ( 0.546 -1.726 -1.511) 2.358 12.548 ( 0.037 1.874 1.040) 2.143 12.584 ( 0.144 -0.886 0.334) 0.957 12.601 ( 0.148 1.013 -0.995) 1.428 12.637 ( -0.074 -1.805 -2.516) 3.098 14.178 ( -0.591 0.268 0.357) 0.740 14.189 ( -0.163 -0.746 1.036) 1.287 14.351 ( 0.557 1.239 -1.199) 1.812 14.382 ( 1.317 -1.658 -1.440) 2.561 14.618 ( -1.630 0.997 1.448) 2.398 14.637 ( -1.509 -0.812 1.062) 2.016 14.779 ( -1.377 0.939 -0.668) 1.796 14.792 ( -1.265 -0.244 -0.783) 1.507 15.483 ( 0.741 0.606 -0.591) 1.125 15.502 ( 1.369 -1.142 -0.453) 1.840 15.642 ( -0.299 0.344 -0.066) 0.461 15.649 ( -0.058 -0.245 -0.036) 0.255 16.074 ( -0.452 -0.488 0.027) 0.666 16.079 ( -0.217 -0.948 0.170) 0.988 16.340 ( -1.570 0.452 0.972) 1.901 16.344 ( -1.635 0.075 0.452) 1.698 16.683 ( -1.074 0.472 0.328) 1.218 16.691 ( -1.062 -0.331 -0.007) 1.113 16.977 ( -0.394 1.829 1.100) 2.171 16.999 ( 0.331 -0.428 -0.146) 0.560 17.096 ( -0.263 0.542 0.719) 0.938 17.115 ( 1.154 -1.373 1.498) 2.337 17.242 ( 2.571 1.666 1.464) 3.396 17.274 ( 3.228 -1.386 1.010) 3.655 18.329 ( -0.607 1.780 0.389) 1.921 18.371 ( -0.511 -2.158 0.355) 2.246 18.598 ( 0.591 5.054 -2.354) 5.607 18.646 ( -0.251 1.704 1.658) 2.391 18.689 ( 2.509 -2.553 2.151) 4.177 18.717 ( -2.265 -3.755 -0.505) 4.414 18.807 ( 0.651 3.672 -1.380) 3.976 18.880 ( 1.374 -3.024 -0.267) 3.333 27.743 ( -0.254 0.372 0.121) 0.467 27.751 ( -0.231 -0.064 -0.820) 0.854 27.858 ( 0.042 -1.296 1.121) 1.715 27.879 ( 0.131 -2.920 -0.680) 3.001 28.084 ( 0.174 -0.008 0.697) 0.718 28.088 ( 0.095 -0.365 0.501) 0.628 28.129 ( 0.248 0.667 -0.792) 1.064 28.148 ( 0.591 -1.188 -1.563) 2.050 29.097 ( 1.001 7.722 0.922) 7.841 29.100 ( 0.664 7.061 -1.017) 7.164 29.286 ( 2.378 -0.713 0.861) 2.628 29.303 ( 3.749 -1.152 1.751) 4.295 29.429 ( 1.417 1.861 -0.653) 2.428 29.453 ( 2.119 2.445 -0.862) 3.349 29.508 ( -0.326 -0.208 0.757) 0.850 29.573 ( 2.647 -3.706 0.966) 4.655 30.090 ( -1.853 5.094 -0.209) 5.425 30.107 ( 0.940 3.702 2.121) 4.369 30.281 ( 0.770 -3.077 -2.721) 4.179 30.329 ( 4.880 -6.276 3.290) 8.604 30.719 ( -3.241 5.686 1.355) 6.684 30.836 ( -4.320 -3.054 -2.089) 5.688 30.889 ( 1.759 -1.597 -2.108) 3.176 30.953 ( 2.310 -5.242 -0.943) 5.805 31.328 ( -5.779 3.396 -5.478) 8.656 31.392 ( -1.576 -2.378 -3.331) 4.386 31.777 ( 8.103 1.903 6.088) 10.312 31.837 ( 7.506 -3.627 4.564) 9.504 32.694 ( -4.589 3.926 3.936) 7.209 32.785 ( -5.842 -4.670 1.608) 7.650 32.880 ( -4.174 1.106 -5.911) 7.321 32.920 ( -3.996 -2.417 -4.152) 6.249 ======================= Grid point 82 (48/48) ======================= q-point: (-0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.499 10.361 0.613) 10.391 1.294 ( 2.973 9.722 -1.321) 10.252 1.397 ( -0.984 5.902 1.995) 6.307 1.497 ( 1.397 -4.996 -1.415) 5.377 1.623 ( 3.454 -1.883 0.088) 3.935 1.693 ( -4.076 -6.355 2.761) 8.039 1.750 ( 0.027 0.210 3.433) 3.440 1.783 ( 1.154 -2.727 6.835) 7.448 1.836 ( -3.402 3.499 1.863) 5.224 1.949 ( 1.408 -4.938 0.882) 5.210 2.140 ( 2.867 2.711 3.391) 5.203 2.199 ( 2.189 -1.876 2.732) 3.972 2.228 ( -4.942 5.217 -2.128) 7.494 2.356 ( -2.050 -1.668 -3.404) 4.309 2.456 ( 0.671 0.366 2.215) 2.343 2.473 ( 0.976 2.744 0.682) 2.991 2.505 ( 2.001 -1.092 0.337) 2.305 2.595 ( -3.725 -10.307 -1.280) 11.034 2.792 ( 1.011 1.823 -1.446) 2.537 2.804 ( 0.497 -1.073 -1.453) 1.873 2.946 ( -1.923 6.677 2.521) 7.392 3.014 ( 4.632 -1.180 -1.016) 4.887 3.114 ( -0.326 2.548 5.148) 5.754 3.160 ( 0.078 -0.225 -3.324) 3.333 3.290 ( -1.397 1.756 2.675) 3.491 3.300 ( 1.107 0.684 -0.892) 1.578 3.435 ( -1.658 1.935 2.639) 3.669 3.500 ( 1.767 -1.541 -0.623) 2.426 3.571 ( 2.572 4.249 -1.956) 5.338 3.666 ( 6.513 0.248 -2.587) 7.013 3.739 ( 1.767 -0.405 0.685) 1.938 3.775 ( 0.533 -1.559 4.110) 4.428 3.957 ( 6.158 1.555 -3.324) 7.169 3.960 ( -1.918 6.473 -2.593) 7.232 4.030 ( 2.880 -1.495 1.361) 3.519 4.133 ( 1.555 -2.776 -2.399) 3.985 4.158 ( -1.530 2.637 0.647) 3.117 4.220 ( -2.134 1.054 2.700) 3.599 4.257 ( 0.787 0.952 5.212) 5.357 4.290 ( 1.352 1.248 0.836) 2.021 4.377 ( -3.058 -1.365 3.116) 4.574 4.422 ( -1.399 -7.025 3.262) 7.871 4.521 ( -1.799 2.260 -4.176) 5.077 4.596 ( 1.058 -2.379 -1.020) 2.796 4.643 ( 2.151 5.876 1.588) 6.455 4.730 ( 0.833 -0.664 -1.823) 2.111 4.847 ( 0.058 -0.036 4.471) 4.472 4.872 ( -0.181 0.513 1.611) 1.700 4.971 ( 1.129 2.704 -6.275) 6.925 5.003 ( -2.066 3.639 -5.385) 6.820 5.107 ( 3.028 -5.486 -5.182) 8.132 5.142 ( -2.976 -4.922 0.758) 5.802 5.290 ( 2.136 -1.876 -0.576) 2.901 5.343 ( 2.008 -6.057 -3.407) 7.234 5.905 ( 1.515 0.327 3.374) 3.713 5.933 ( 1.869 -2.309 1.720) 3.432 6.288 ( -2.119 2.437 -1.815) 3.705 6.310 ( -1.088 0.369 -1.702) 2.054 6.453 ( -3.114 3.026 -0.156) 4.345 6.492 ( -5.170 -0.523 0.118) 5.198 7.114 ( -1.347 2.162 1.941) 3.202 7.137 ( -2.171 0.582 0.276) 2.265 7.232 ( -3.000 1.500 0.752) 3.437 7.290 ( -5.489 -3.179 -3.222) 7.114 7.992 ( 1.743 1.628 1.147) 2.647 8.015 ( 1.640 -0.368 -0.661) 1.806 8.130 ( -2.251 1.206 -1.127) 2.791 8.153 ( -2.591 -0.881 -1.108) 2.952 8.540 ( 1.585 4.092 -0.186) 4.392 8.578 ( 0.929 1.292 -0.718) 1.746 8.697 ( 1.236 -4.277 -0.503) 4.481 8.709 ( 0.349 -4.555 0.661) 4.616 9.161 ( 0.950 0.498 0.850) 1.368 9.178 ( 1.030 -1.031 0.129) 1.463 9.410 ( -0.306 1.971 1.061) 2.259 9.472 ( -0.570 -4.152 -0.355) 4.206 10.400 ( 1.223 -1.444 -0.006) 1.892 10.407 ( 1.295 -2.117 -0.326) 2.503 10.782 ( -0.620 1.806 -0.493) 1.972 10.788 ( -1.007 1.104 0.051) 1.495 10.874 ( -0.153 1.075 -1.050) 1.511 10.879 ( 0.004 1.033 -1.528) 1.844 11.027 ( -1.835 -0.842 1.087) 2.293 11.039 ( -1.766 -1.912 1.029) 2.799 11.548 ( 0.730 2.487 0.640) 2.669 11.579 ( 0.230 0.506 -0.962) 1.111 11.629 ( 1.005 -1.318 -0.230) 1.673 11.648 ( 0.389 -1.912 -1.307) 2.348 12.550 ( 0.140 1.607 1.108) 1.957 12.584 ( -0.141 -1.044 0.582) 1.204 12.602 ( -0.058 0.830 -1.083) 1.365 12.633 ( -0.152 -1.708 -2.351) 2.910 14.171 ( -0.076 0.429 0.161) 0.465 14.183 ( -0.483 -0.657 0.738) 1.100 14.372 ( 1.505 1.146 -1.092) 2.184 14.403 ( 0.627 -1.834 -0.991) 2.177 14.596 ( -0.333 1.034 0.953) 1.445 14.612 ( -0.870 -0.504 0.982) 1.405 14.738 ( -2.405 0.804 -0.714) 2.634 14.751 ( -2.687 -0.259 -0.618) 2.769 15.505 ( 1.309 0.546 -0.677) 1.572 15.525 ( 0.754 -1.336 -0.620) 1.655 15.640 ( 0.164 0.642 0.189) 0.689 15.649 ( 0.063 -0.101 0.122) 0.170 16.068 ( -0.099 -0.232 -0.222) 0.336 16.074 ( -0.333 -0.779 0.022) 0.848 16.303 ( -2.005 0.204 1.051) 2.273 16.306 ( -1.880 -0.070 0.355) 1.915 16.661 ( -1.012 0.263 -0.030) 1.046 16.666 ( -1.161 -0.310 -0.451) 1.284 16.969 ( -0.433 2.151 1.145) 2.475 16.997 ( -0.402 -0.638 -0.988) 1.243 17.111 ( 1.557 1.155 1.777) 2.630 17.142 ( 1.264 -1.742 1.111) 2.422 17.309 ( 3.744 1.333 2.259) 4.571 17.337 ( 2.664 -1.205 1.961) 3.521 18.325 ( 0.022 0.756 -0.234) 0.792 18.348 ( -1.635 -1.478 0.400) 2.240 18.582 ( -0.576 4.241 -0.687) 4.334 18.633 ( -3.371 -0.858 1.167) 3.669 18.695 ( 3.444 3.606 0.570) 5.019 18.780 ( 2.861 -3.496 -0.096) 4.518 18.812 ( 0.480 3.131 -0.970) 3.313 18.892 ( -0.073 -3.777 -0.615) 3.828 27.737 ( -0.338 0.462 0.080) 0.578 27.746 ( -0.192 -0.110 -0.962) 0.987 27.861 ( 0.097 -1.279 1.098) 1.689 27.881 ( 0.110 -2.926 -0.701) 3.011 28.088 ( 0.203 0.117 0.654) 0.694 28.093 ( 0.337 -0.317 0.615) 0.770 28.133 ( 0.216 0.793 -0.726) 1.097 28.156 ( 0.235 -1.343 -1.664) 2.151 29.111 ( 0.290 7.782 1.084) 7.862 29.118 ( 0.953 6.683 -0.860) 6.805 29.344 ( 2.907 -0.002 2.426) 3.786 29.390 ( 4.160 -2.737 2.572) 5.605 29.457 ( 1.108 2.340 -0.358) 2.613 29.494 ( 1.831 0.433 -0.232) 1.896 29.528 ( 2.445 4.224 -0.232) 4.886 29.628 ( 2.854 -4.298 -0.788) 5.220 30.050 ( -2.315 4.284 0.951) 4.961 30.108 ( -0.478 -1.106 -1.272) 1.752 30.290 ( -0.970 0.297 -4.760) 4.867 30.365 ( -3.262 -5.844 -1.337) 6.825 30.680 ( 0.834 4.754 4.777) 6.791 30.772 ( -0.314 -2.375 2.161) 3.226 30.918 ( 0.891 0.778 -1.641) 2.022 31.016 ( 4.264 -7.424 3.272) 9.165 31.194 ( -7.450 6.304 -6.325) 11.630 31.345 ( -2.517 -7.907 -5.125) 9.754 32.015 ( 13.418 0.760 5.765) 14.624 32.025 ( 11.565 -0.366 5.202) 12.687 32.583 ( -6.025 1.285 0.121) 6.161 32.627 ( -8.876 -3.107 -1.726) 9.561 32.774 ( -5.724 2.216 -2.932) 6.802 32.819 ( -6.295 -2.020 -2.019) 6.912 =================== 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 3/23400 10.0 72.701 79.104 42.161 0.000 -8.098 0.000 3/23400 20.0 15.598 19.468 11.238 0.000 -1.986 0.000 3/23400 30.0 7.392 9.161 5.668 0.000 -0.961 0.000 3/23400 40.0 4.676 5.690 3.684 0.000 -0.608 0.000 3/23400 50.0 3.403 4.089 2.733 0.000 -0.439 0.000 3/23400 60.0 2.677 3.193 2.183 0.000 -0.342 0.000 3/23400 70.0 2.211 2.626 1.824 0.000 -0.280 0.000 3/23400 80.0 1.885 2.234 1.570 0.000 -0.237 0.000 3/23400 90.0 1.645 1.947 1.379 0.000 -0.205 0.000 3/23400 100.0 1.460 1.727 1.231 0.000 -0.181 0.000 3/23400 110.0 1.313 1.553 1.112 0.000 -0.162 0.000 3/23400 120.0 1.193 1.411 1.014 0.000 -0.147 0.000 3/23400 130.0 1.094 1.294 0.933 0.000 -0.134 0.000 3/23400 140.0 1.010 1.195 0.863 0.000 -0.124 0.000 3/23400 150.0 0.938 1.110 0.804 0.000 -0.115 0.000 3/23400 160.0 0.877 1.037 0.752 0.000 -0.107 0.000 3/23400 170.0 0.823 0.974 0.707 0.000 -0.100 0.000 3/23400 180.0 0.775 0.918 0.667 0.000 -0.094 0.000 3/23400 190.0 0.733 0.868 0.631 0.000 -0.089 0.000 3/23400 200.0 0.696 0.823 0.599 0.000 -0.084 0.000 3/23400 210.0 0.662 0.784 0.571 0.000 -0.079 0.000 3/23400 220.0 0.632 0.748 0.545 0.000 -0.076 0.000 3/23400 230.0 0.604 0.715 0.521 0.000 -0.072 0.000 3/23400 240.0 0.579 0.685 0.500 0.000 -0.069 0.000 3/23400 250.0 0.556 0.658 0.480 0.000 -0.066 0.000 3/23400 260.0 0.536 0.634 0.462 0.000 -0.063 0.000 3/23400 270.0 0.516 0.611 0.446 0.000 -0.060 0.000 3/23400 280.0 0.499 0.589 0.431 0.000 -0.058 0.000 3/23400 290.0 0.482 0.570 0.416 0.000 -0.056 0.000 3/23400 300.0 0.467 0.552 0.403 0.000 -0.054 0.000 3/23400 310.0 0.453 0.535 0.391 0.000 -0.052 0.000 3/23400 320.0 0.439 0.519 0.379 0.000 -0.050 0.000 3/23400 330.0 0.427 0.504 0.368 0.000 -0.048 0.000 3/23400 340.0 0.415 0.490 0.358 0.000 -0.047 0.000 3/23400 350.0 0.404 0.477 0.349 0.000 -0.045 0.000 3/23400 360.0 0.394 0.464 0.339 0.000 -0.044 0.000 3/23400 370.0 0.384 0.452 0.331 0.000 -0.042 0.000 3/23400 380.0 0.375 0.441 0.323 0.000 -0.041 0.000 3/23400 390.0 0.366 0.431 0.315 0.000 -0.040 0.000 3/23400 400.0 0.357 0.421 0.308 0.000 -0.039 0.000 3/23400 410.0 0.349 0.411 0.301 0.000 -0.038 0.000 3/23400 420.0 0.342 0.402 0.294 0.000 -0.037 0.000 3/23400 430.0 0.335 0.393 0.288 0.000 -0.036 0.000 3/23400 440.0 0.328 0.385 0.282 0.000 -0.035 0.000 3/23400 450.0 0.321 0.377 0.276 0.000 -0.034 0.000 3/23400 460.0 0.315 0.369 0.271 0.000 -0.033 0.000 3/23400 470.0 0.309 0.362 0.265 0.000 -0.032 0.000 3/23400 480.0 0.303 0.355 0.260 0.000 -0.032 0.000 3/23400 490.0 0.297 0.348 0.255 0.000 -0.031 0.000 3/23400 500.0 0.292 0.342 0.250 0.000 -0.030 0.000 3/23400 510.0 0.287 0.336 0.246 0.000 -0.030 0.000 3/23400 520.0 0.282 0.330 0.242 0.000 -0.029 0.000 3/23400 530.0 0.277 0.324 0.237 0.000 -0.028 0.000 3/23400 540.0 0.272 0.318 0.233 0.000 -0.028 0.000 3/23400 550.0 0.267 0.313 0.229 0.000 -0.027 0.000 3/23400 560.0 0.263 0.308 0.226 0.000 -0.027 0.000 3/23400 570.0 0.259 0.302 0.222 0.000 -0.026 0.000 3/23400 580.0 0.255 0.298 0.218 0.000 -0.026 0.000 3/23400 590.0 0.251 0.293 0.215 0.000 -0.025 0.000 3/23400 600.0 0.247 0.288 0.212 0.000 -0.025 0.000 3/23400 610.0 0.243 0.284 0.208 0.000 -0.024 0.000 3/23400 620.0 0.240 0.280 0.205 0.000 -0.024 0.000 3/23400 630.0 0.236 0.275 0.202 0.000 -0.023 0.000 3/23400 640.0 0.233 0.271 0.199 0.000 -0.023 0.000 3/23400 650.0 0.229 0.267 0.196 0.000 -0.022 0.000 3/23400 660.0 0.226 0.264 0.194 0.000 -0.022 0.000 3/23400 670.0 0.223 0.260 0.191 0.000 -0.022 0.000 3/23400 680.0 0.220 0.256 0.188 0.000 -0.021 0.000 3/23400 690.0 0.217 0.253 0.186 0.000 -0.021 0.000 3/23400 700.0 0.214 0.249 0.183 0.000 -0.021 0.000 3/23400 710.0 0.211 0.246 0.181 0.000 -0.020 0.000 3/23400 720.0 0.209 0.243 0.178 0.000 -0.020 0.000 3/23400 730.0 0.206 0.240 0.176 0.000 -0.020 0.000 3/23400 740.0 0.203 0.237 0.174 0.000 -0.019 0.000 3/23400 750.0 0.201 0.234 0.172 0.000 -0.019 0.000 3/23400 760.0 0.198 0.231 0.169 0.000 -0.019 0.000 3/23400 770.0 0.196 0.228 0.167 0.000 -0.019 0.000 3/23400 780.0 0.194 0.225 0.165 0.000 -0.018 0.000 3/23400 790.0 0.191 0.222 0.163 0.000 -0.018 0.000 3/23400 800.0 0.189 0.220 0.161 0.000 -0.018 0.000 3/23400 810.0 0.187 0.217 0.160 0.000 -0.018 0.000 3/23400 820.0 0.185 0.215 0.158 0.000 -0.017 0.000 3/23400 830.0 0.183 0.212 0.156 0.000 -0.017 0.000 3/23400 840.0 0.181 0.210 0.154 0.000 -0.017 0.000 3/23400 850.0 0.179 0.207 0.152 0.000 -0.017 0.000 3/23400 860.0 0.177 0.205 0.151 0.000 -0.017 0.000 3/23400 870.0 0.175 0.203 0.149 0.000 -0.016 0.000 3/23400 880.0 0.173 0.201 0.147 0.000 -0.016 0.000 3/23400 890.0 0.171 0.198 0.146 0.000 -0.016 0.000 3/23400 900.0 0.169 0.196 0.144 0.000 -0.016 0.000 3/23400 910.0 0.167 0.194 0.143 0.000 -0.016 0.000 3/23400 920.0 0.166 0.192 0.141 0.000 -0.015 0.000 3/23400 930.0 0.164 0.190 0.140 0.000 -0.015 0.000 3/23400 940.0 0.162 0.188 0.138 0.000 -0.015 0.000 3/23400 950.0 0.161 0.186 0.137 0.000 -0.015 0.000 3/23400 960.0 0.159 0.184 0.136 0.000 -0.015 0.000 3/23400 970.0 0.158 0.183 0.134 0.000 -0.015 0.000 3/23400 980.0 0.156 0.181 0.133 0.000 -0.014 0.000 3/23400 990.0 0.155 0.179 0.132 0.000 -0.014 0.000 3/23400 1000.0 0.153 0.177 0.130 0.000 -0.014 0.000 3/23400 Thermal conductivity related properties were written into "kappa-m655.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:35:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|