----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:46:34]------------------------- 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: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.720259548023277 0.000000000000000 0.000000000000000 b -4.860129774011638 8.417991699966404 0.000000000000000 c 0.000000000000000 0.000000000000000 7.272966890000000 Atomic positions (fractional): *1 Ba 0.33201276551435 0.99796599521067 0.17880599745978 137.327 2 Ba 0.00203400478933 0.33404677030368 0.17880599745978 137.327 3 Ba 0.33404677030368 0.33201276551435 0.82119400254022 137.327 4 Ba 0.99796599521067 0.66595322969632 0.82119400254022 137.327 *5 Ba 0.66666666666667 0.33333333333333 0.49125263977377 137.327 6 Ba 0.66798723448565 0.00203400478933 0.82119400254022 137.327 7 Ba 0.66595322969632 0.66798723448565 0.17880599745978 137.327 8 Ba 0.33333333333333 0.66666666666667 0.50874736022623 137.327 *9 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 *10 Mg 0.66666666666667 0.33333333333333 0.98106528706858 24.305 *11 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 12 Mg 0.33333333333333 0.66666666666667 0.01893471293142 24.305 *13 Si 0.66195415199719 0.67161625237742 0.74099710633379 28.085 14 Si 0.00966210038023 0.33804584800281 0.74099710633379 28.085 15 Si 0.32838374762258 0.99033789961977 0.74099710633379 28.085 16 Si 0.33804584800281 0.32838374762258 0.25900289366621 28.085 17 Si 0.67161625237742 0.00966210038023 0.25900289366621 28.085 18 Si 0.99033789961977 0.66195415199719 0.25900289366621 28.085 *19 O 0.50884068112693 0.66538047477069 0.85165369635922 15.999 *20 O 0.00141652928892 0.82634820422707 0.17604233092827 15.999 21 O 0.17506832506185 0.00141652928892 0.82395766907173 15.999 *22 O 0.30389647471927 0.94579261981959 0.52476239532246 15.999 23 O 0.66538047477069 0.15653979364376 0.14834630364078 15.999 24 O 0.84346020635624 0.50884068112693 0.14834630364078 15.999 25 O 0.15653979364376 0.49115931887307 0.85165369635922 15.999 26 O 0.35810385489968 0.30389647471927 0.47523760467754 15.999 27 O 0.82634820422707 0.82493167493815 0.82395766907173 15.999 28 O 0.99858347071108 0.17365179577293 0.82395766907173 15.999 29 O 0.94579261981959 0.64189614510032 0.47523760467754 15.999 *30 O 0.49154897536721 0.15697259222720 0.79770996465726 15.999 31 O 0.69610352528073 0.05420738018041 0.47523760467754 15.999 32 O 0.82493167493815 0.99858347071108 0.17604233092827 15.999 33 O 0.50845102463279 0.84302740777281 0.20229003534274 15.999 34 O 0.49115931887307 0.33461952522931 0.14834630364078 15.999 35 O 0.66542361685999 0.50845102463279 0.79770996465726 15.999 36 O 0.05420738018041 0.35810385489968 0.52476239532246 15.999 37 O 0.15697259222720 0.66542361685999 0.20229003534274 15.999 38 O 0.33461952522931 0.84346020635624 0.85165369635922 15.999 39 O 0.84302740777281 0.33457638314001 0.79770996465726 15.999 40 O 0.64189614510032 0.69610352528073 0.52476239532246 15.999 41 O 0.33457638314001 0.49154897536721 0.20229003534274 15.999 42 O 0.17365179577293 0.17506832506185 0.17604233092827 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.720259548023277 0.000000000000000 0.000000000000000 b -4.860129774011638 8.417991699966404 0.000000000000000 c 0.000000000000000 0.000000000000000 7.272966890000000 Atomic positions (fractional): *1 Ba 0.33201276551435 0.99796599521067 0.17880599745978 137.327 > 1 2 Ba 0.00203400478933 0.33404677030368 0.17880599745978 137.327 > 2 3 Ba 0.33404677030368 0.33201276551435 0.82119400254022 137.327 > 3 4 Ba 0.99796599521067 0.66595322969632 0.82119400254022 137.327 > 4 *5 Ba 0.66666666666667 0.33333333333333 0.49125263977377 137.327 > 5 6 Ba 0.66798723448565 0.00203400478933 0.82119400254022 137.327 > 6 7 Ba 0.66595322969632 0.66798723448565 0.17880599745978 137.327 > 7 8 Ba 0.33333333333333 0.66666666666667 0.50874736022623 137.327 > 8 *9 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 > 9 *10 Mg 0.66666666666667 0.33333333333333 0.98106528706858 24.305 > 10 *11 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 11 12 Mg 0.33333333333333 0.66666666666667 0.01893471293142 24.305 > 12 *13 Si 0.66195415199719 0.67161625237742 0.74099710633379 28.085 > 13 14 Si 0.00966210038023 0.33804584800281 0.74099710633379 28.085 > 14 15 Si 0.32838374762258 0.99033789961977 0.74099710633379 28.085 > 15 16 Si 0.33804584800281 0.32838374762258 0.25900289366621 28.085 > 16 17 Si 0.67161625237742 0.00966210038023 0.25900289366621 28.085 > 17 18 Si 0.99033789961977 0.66195415199719 0.25900289366621 28.085 > 18 *19 O 0.50884068112693 0.66538047477069 0.85165369635922 15.999 > 19 *20 O 0.00141652928892 0.82634820422707 0.17604233092827 15.999 > 20 21 O 0.17506832506185 0.00141652928892 0.82395766907173 15.999 > 21 *22 O 0.30389647471927 0.94579261981959 0.52476239532246 15.999 > 22 23 O 0.66538047477069 0.15653979364376 0.14834630364078 15.999 > 23 24 O 0.84346020635624 0.50884068112693 0.14834630364078 15.999 > 24 25 O 0.15653979364376 0.49115931887307 0.85165369635922 15.999 > 25 26 O 0.35810385489968 0.30389647471927 0.47523760467754 15.999 > 26 27 O 0.82634820422707 0.82493167493815 0.82395766907173 15.999 > 27 28 O 0.99858347071108 0.17365179577293 0.82395766907173 15.999 > 28 29 O 0.94579261981959 0.64189614510032 0.47523760467754 15.999 > 29 *30 O 0.49154897536721 0.15697259222720 0.79770996465726 15.999 > 30 31 O 0.69610352528073 0.05420738018041 0.47523760467754 15.999 > 31 32 O 0.82493167493815 0.99858347071108 0.17604233092827 15.999 > 32 33 O 0.50845102463279 0.84302740777281 0.20229003534274 15.999 > 33 34 O 0.49115931887307 0.33461952522931 0.14834630364078 15.999 > 34 35 O 0.66542361685999 0.50845102463279 0.79770996465726 15.999 > 35 36 O 0.05420738018041 0.35810385489968 0.52476239532246 15.999 > 36 37 O 0.15697259222720 0.66542361685999 0.20229003534274 15.999 > 37 38 O 0.33461952522931 0.84346020635624 0.85165369635922 15.999 > 38 39 O 0.84302740777281 0.33457638314001 0.79770996465726 15.999 > 39 40 O 0.64189614510032 0.69610352528073 0.52476239532246 15.999 > 40 41 O 0.33457638314001 0.49154897536721 0.20229003534274 15.999 > 41 42 O 0.17365179577293 0.17506832506185 0.17604233092827 15.999 > 42 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.720259548023277 0.000000000000000 0.000000000000000 b -4.860129774011638 8.417991699966404 0.000000000000000 c 0.000000000000000 0.000000000000000 14.545933780000000 Atomic positions (fractional): *1 Ba 0.33201276551435 0.99796599521067 0.08940299872989 137.327 > 1 2 Ba 0.33201276551435 0.99796599521067 0.58940299872989 137.327 > 1 3 Ba 0.00203400478933 0.33404677030368 0.08940299872989 137.327 > 2 4 Ba 0.00203400478933 0.33404677030368 0.58940299872989 137.327 > 2 5 Ba 0.33404677030368 0.33201276551435 0.41059700127011 137.327 > 3 6 Ba 0.33404677030368 0.33201276551435 0.91059700127011 137.327 > 3 7 Ba 0.99796599521067 0.66595322969632 0.41059700127011 137.327 > 4 8 Ba 0.99796599521067 0.66595322969632 0.91059700127011 137.327 > 4 *9 Ba 0.66666666666667 0.33333333333333 0.24562631988688 137.327 > 5 10 Ba 0.66666666666667 0.33333333333333 0.74562631988688 137.327 > 5 11 Ba 0.66798723448565 0.00203400478933 0.41059700127011 137.327 > 6 12 Ba 0.66798723448565 0.00203400478933 0.91059700127011 137.327 > 6 13 Ba 0.66595322969632 0.66798723448565 0.08940299872989 137.327 > 7 14 Ba 0.66595322969632 0.66798723448565 0.58940299872989 137.327 > 7 15 Ba 0.33333333333333 0.66666666666667 0.25437368011312 137.327 > 8 16 Ba 0.33333333333333 0.66666666666667 0.75437368011312 137.327 > 8 *17 Ba 0.00000000000000 0.00000000000000 0.25000000000000 137.327 > 9 18 Ba 0.00000000000000 0.00000000000000 0.75000000000000 137.327 > 9 *19 Mg 0.66666666666667 0.33333333333333 0.49053264353429 24.305 > 10 20 Mg 0.66666666666667 0.33333333333333 0.99053264353429 24.305 > 10 *21 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 11 22 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 11 23 Mg 0.33333333333333 0.66666666666667 0.00946735646571 24.305 > 12 24 Mg 0.33333333333333 0.66666666666667 0.50946735646571 24.305 > 12 *25 Si 0.66195415199719 0.67161625237742 0.37049855316690 28.085 > 13 26 Si 0.66195415199719 0.67161625237742 0.87049855316690 28.085 > 13 27 Si 0.00966210038023 0.33804584800281 0.37049855316690 28.085 > 14 28 Si 0.00966210038023 0.33804584800281 0.87049855316690 28.085 > 14 29 Si 0.32838374762258 0.99033789961977 0.37049855316690 28.085 > 15 30 Si 0.32838374762258 0.99033789961977 0.87049855316690 28.085 > 15 31 Si 0.33804584800281 0.32838374762258 0.12950144683310 28.085 > 16 32 Si 0.33804584800281 0.32838374762258 0.62950144683310 28.085 > 16 33 Si 0.67161625237742 0.00966210038023 0.12950144683310 28.085 > 17 34 Si 0.67161625237742 0.00966210038023 0.62950144683310 28.085 > 17 35 Si 0.99033789961977 0.66195415199719 0.12950144683310 28.085 > 18 36 Si 0.99033789961977 0.66195415199719 0.62950144683310 28.085 > 18 *37 O 0.50884068112693 0.66538047477069 0.42582684817961 15.999 > 19 38 O 0.50884068112693 0.66538047477069 0.92582684817961 15.999 > 19 *39 O 0.00141652928892 0.82634820422707 0.08802116546414 15.999 > 20 40 O 0.00141652928892 0.82634820422707 0.58802116546414 15.999 > 20 41 O 0.17506832506185 0.00141652928892 0.41197883453586 15.999 > 21 42 O 0.17506832506185 0.00141652928892 0.91197883453586 15.999 > 21 *43 O 0.30389647471927 0.94579261981959 0.26238119766123 15.999 > 22 44 O 0.30389647471927 0.94579261981959 0.76238119766123 15.999 > 22 45 O 0.66538047477069 0.15653979364376 0.07417315182039 15.999 > 23 46 O 0.66538047477069 0.15653979364376 0.57417315182039 15.999 > 23 47 O 0.84346020635624 0.50884068112693 0.07417315182039 15.999 > 24 48 O 0.84346020635624 0.50884068112693 0.57417315182039 15.999 > 24 49 O 0.15653979364376 0.49115931887307 0.42582684817961 15.999 > 25 50 O 0.15653979364376 0.49115931887307 0.92582684817961 15.999 > 25 51 O 0.35810385489968 0.30389647471927 0.23761880233877 15.999 > 26 52 O 0.35810385489968 0.30389647471927 0.73761880233877 15.999 > 26 53 O 0.82634820422707 0.82493167493815 0.41197883453586 15.999 > 27 54 O 0.82634820422707 0.82493167493815 0.91197883453586 15.999 > 27 55 O 0.99858347071108 0.17365179577293 0.41197883453586 15.999 > 28 56 O 0.99858347071108 0.17365179577293 0.91197883453586 15.999 > 28 57 O 0.94579261981959 0.64189614510032 0.23761880233877 15.999 > 29 58 O 0.94579261981959 0.64189614510032 0.73761880233877 15.999 > 29 *59 O 0.49154897536721 0.15697259222720 0.39885498232863 15.999 > 30 60 O 0.49154897536721 0.15697259222720 0.89885498232863 15.999 > 30 61 O 0.69610352528073 0.05420738018041 0.23761880233877 15.999 > 31 62 O 0.69610352528073 0.05420738018041 0.73761880233877 15.999 > 31 63 O 0.82493167493815 0.99858347071108 0.08802116546414 15.999 > 32 64 O 0.82493167493815 0.99858347071108 0.58802116546414 15.999 > 32 65 O 0.50845102463279 0.84302740777281 0.10114501767137 15.999 > 33 66 O 0.50845102463279 0.84302740777281 0.60114501767137 15.999 > 33 67 O 0.49115931887307 0.33461952522931 0.07417315182039 15.999 > 34 68 O 0.49115931887307 0.33461952522931 0.57417315182039 15.999 > 34 69 O 0.66542361685999 0.50845102463279 0.39885498232863 15.999 > 35 70 O 0.66542361685999 0.50845102463279 0.89885498232863 15.999 > 35 71 O 0.05420738018041 0.35810385489968 0.26238119766123 15.999 > 36 72 O 0.05420738018041 0.35810385489968 0.76238119766123 15.999 > 36 73 O 0.15697259222720 0.66542361685999 0.10114501767137 15.999 > 37 74 O 0.15697259222720 0.66542361685999 0.60114501767137 15.999 > 37 75 O 0.33461952522931 0.84346020635624 0.42582684817961 15.999 > 38 76 O 0.33461952522931 0.84346020635624 0.92582684817961 15.999 > 38 77 O 0.84302740777281 0.33457638314001 0.39885498232863 15.999 > 39 78 O 0.84302740777281 0.33457638314001 0.89885498232863 15.999 > 39 79 O 0.64189614510032 0.69610352528073 0.26238119766123 15.999 > 40 80 O 0.64189614510032 0.69610352528073 0.76238119766123 15.999 > 40 81 O 0.33457638314001 0.49154897536721 0.10114501767137 15.999 > 41 82 O 0.33457638314001 0.49154897536721 0.60114501767137 15.999 > 41 83 O 0.17365179577293 0.17506832506185 0.08802116546414 15.999 > 42 84 O 0.17365179577293 0.17506832506185 0.58802116546414 15.999 > 42 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5161713 -0.0000000 0.0000000 0.0000000 3.5161713 0.0000000 0.0000000 0.0000000 3.6053144 -------------------------- Born effective charges -------------------------- 1 Ba 2.7087387 -0.0016134 -0.0197672 0.0003472 2.7083112 -0.0831270 -0.0407735 -0.0852048 2.8612051 2 Ba 2.7078698 -0.0008488 0.0818737 0.0011117 2.7091801 0.0244446 0.0941763 0.0072915 2.8612051 3 Ba 2.7089664 -0.0004786 -0.0621065 0.0014819 2.7080835 0.0586824 -0.0534028 0.0779133 2.8612051 4 Ba 2.7078698 -0.0008488 0.0818737 0.0011117 2.7091801 0.0244446 0.0941763 0.0072915 2.8612051 5 Ba 2.7257568 -0.0087307 0.0000000 0.0087307 2.7257568 0.0000000 0.0000000 -0.0000000 2.7832102 6 Ba 2.7087387 -0.0016134 -0.0197672 0.0003472 2.7083112 -0.0831270 -0.0407735 -0.0852048 2.8612051 7 Ba 2.7089664 -0.0004786 -0.0621065 0.0014819 2.7080835 0.0586824 -0.0534028 0.0779133 2.8612051 8 Ba 2.7257568 -0.0087307 0.0000000 0.0087307 2.7257568 0.0000000 0.0000000 -0.0000000 2.7832102 9 Ba 2.7232896 0.0224651 0.0000000 -0.0224651 2.7232896 0.0000000 0.0000000 -0.0000000 2.9189371 10 Mg 2.3473426 -0.0130551 0.0000000 0.0130551 2.3473426 0.0000000 0.0000000 -0.0000000 2.2381247 11 Mg 2.3352057 0.0243050 0.0000000 -0.0243050 2.3352057 0.0000000 0.0000000 -0.0000000 2.2531366 12 Mg 2.3473426 -0.0130551 0.0000000 0.0130551 2.3473426 0.0000000 0.0000000 -0.0000000 2.2381247 13 Si 2.7472175 -0.0417064 0.1197658 -0.0471710 2.7579776 -0.0840695 0.0560647 -0.0847960 3.0083145 14 Si 2.7937726 0.0202924 -0.1326892 0.0148278 2.7114225 -0.0616855 -0.1014678 -0.0061555 3.0083145 15 Si 2.7168025 0.0296109 0.0129234 0.0241463 2.7883925 0.1457550 0.0454031 0.0909515 3.0083145 16 Si 2.7472175 -0.0417064 0.1197658 -0.0471710 2.7579776 -0.0840695 0.0560647 -0.0847960 3.0083145 17 Si 2.7168025 0.0296109 0.0129234 0.0241463 2.7883925 0.1457550 0.0454031 0.0909515 3.0083145 18 Si 2.7937726 0.0202924 -0.1326892 0.0148278 2.7114225 -0.0616855 -0.1014678 -0.0061555 3.0083145 19 O -2.2585465 -0.0198052 0.2282234 -0.0283924 -1.9202427 0.0166631 0.2737987 0.0280950 -2.0182808 20 O -2.0202539 0.1371360 -0.0632459 0.1574114 -2.2952630 0.1709050 -0.0674131 0.1958638 -1.8619622 21 O -2.3540534 0.0353079 0.1796310 0.0555833 -1.9614634 -0.0306800 0.2033296 -0.0395504 -1.8619622 22 O -1.5241689 0.1225456 0.0024203 0.1203659 -1.5994896 -0.1394770 -0.0024455 -0.0527523 -2.7886487 23 O -2.0256889 0.1628328 -0.1285423 0.1542456 -2.1531003 0.1893158 -0.1612303 0.2230691 -2.0182808 24 O -1.9839485 -0.1301468 -0.0996811 -0.1387340 -2.1948407 -0.2059788 -0.1125684 -0.2511641 -2.0182808 25 O -1.9839485 -0.1301468 -0.0996811 -0.1387340 -2.1948407 -0.2059788 -0.1125684 -0.2511641 -2.0182808 26 O -1.6858432 -0.0270232 -0.1220008 -0.0292029 -1.4378154 0.0676424 -0.0444621 0.0284940 -2.7886487 27 O -2.0989680 -0.2028570 -0.1163851 -0.1825816 -2.2165489 -0.1402250 -0.1359164 -0.1563134 -1.8619622 28 O -2.0202539 0.1371360 -0.0632459 0.1574114 -2.2952630 0.1709050 -0.0674131 0.1958638 -1.8619622 29 O -1.4754757 -0.0922528 0.1195804 -0.0944325 -1.6481829 0.0718346 0.0469076 0.0242583 -2.7886487 30 O -2.0513290 -0.2049471 -0.0419178 -0.2098855 -2.3211827 -0.0925401 -0.0559792 -0.1110771 -1.7364185 31 O -1.5241689 0.1225456 0.0024203 0.1203659 -1.5994896 -0.1394770 -0.0024455 -0.0527523 -2.7886487 32 O -2.3540534 0.0353079 0.1796310 0.0555833 -1.9614634 -0.0306800 0.2033296 -0.0395504 -1.8619622 33 O -2.0513290 -0.2049471 -0.0419178 -0.2098855 -2.3211827 -0.0925401 -0.0559792 -0.1110771 -1.7364185 34 O -2.2585465 -0.0198052 0.2282234 -0.0283924 -1.9202427 0.0166631 0.2737987 0.0280950 -2.0182808 35 O -2.0740915 0.2230274 -0.0591832 0.2180890 -2.2984202 0.0825719 -0.0682060 0.1040180 -1.7364185 36 O -1.4754757 -0.0922528 0.1195804 -0.0944325 -1.6481829 0.0718346 0.0469076 0.0242583 -2.7886487 37 O -2.4333470 -0.0106727 0.1011010 -0.0156111 -1.9391647 0.0099682 0.1241852 0.0070591 -1.7364185 38 O -2.0256889 0.1628328 -0.1285423 0.1542456 -2.1531003 0.1893158 -0.1612303 0.2230691 -2.0182808 39 O -2.4333470 -0.0106727 0.1011010 -0.0156111 -1.9391647 0.0099682 0.1241852 0.0070591 -1.7364185 40 O -1.6858432 -0.0270232 -0.1220008 -0.0292029 -1.4378154 0.0676424 -0.0444621 0.0284940 -2.7886487 41 O -2.0740915 0.2230274 -0.0591832 0.2180890 -2.2984202 0.0825719 -0.0682060 0.1040180 -1.7364185 42 O -2.0989680 -0.2028570 -0.1163851 -0.1825816 -2.2165489 -0.1402250 -0.1359164 -0.1563134 -1.8619622 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 16002/16002 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2691 Number of blocks in projector: 1234 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 1214 Use submatrix version of eigh solver. (1) Block: 500 / 1214 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 1214 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1214 / 1214 (1) 199 eigenvectors found. (1) Complementary block size: 73 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 64 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 325 Use standard eigh solver. Tree of FC basis block matrices: - (2691, 2626), data: False |-- (325, 315), data: True |-- (1152, 1128), data: False |-- (1152, 40), data: (1152, 64) @ (64, 40) |-- (152, 132), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (1214, 1183), data: False |-- (1214, 42), data: (1214, 73) @ (73, 42) |-- (214, 199), data: True |-- (500, 473), data: False |-- (500, 24), data: (500, 51) @ (51, 24) |-- (250, 226), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 31), data: (500, 62) @ (62, 31) |-- (250, 219), data: True |-- (250, 219), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 880 - Time: 0.732 Solver_block: 200 / 880 - Time: 0.482 Solver_block: 300 / 880 - Time: 0.603 Solver_block: 400 / 880 - Time: 0.643 Solver_block: 500 / 880 - Time: 0.675 Solver_block: 600 / 880 - Time: 0.633 Solver_block: 700 / 880 - Time: 0.646 Solver_block: 800 / 880 - Time: 0.508 Solver_block: 880 / 880 - Time: 0.449 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.608 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xy) -0.00000000 (xy) Permutation basis: 252/252 Permutation basis: 16002/16002 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2691 Number of blocks in projector: 1234 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 1214 Use submatrix version of eigh solver. (1) Block: 500 / 1214 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 1214 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1214 / 1214 (1) 199 eigenvectors found. (1) Complementary block size: 73 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 64 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 325 Use standard eigh solver. Tree of FC basis block matrices: - (2691, 2626), data: False |-- (325, 315), data: True |-- (1152, 1128), data: False |-- (1152, 40), data: (1152, 64) @ (64, 40) |-- (152, 132), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 476), data: False |-- (500, 24), data: (500, 48) @ (48, 24) |-- (250, 226), data: True |-- (250, 226), data: True |-- (1214, 1183), data: False |-- (1214, 42), data: (1214, 73) @ (73, 42) |-- (214, 199), data: True |-- (500, 473), data: False |-- (500, 24), data: (500, 51) @ (51, 24) |-- (250, 226), data: True |-- (250, 223), data: True |-- (500, 469), data: False |-- (500, 31), data: (500, 62) @ (62, 31) |-- (250, 219), data: True |-- (250, 219), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xy) -0.00000000 (xy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:47:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:47:20]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.720259548023277 0.000000000000000 0.000000000000000 b -4.860129774011638 8.417991699966404 0.000000000000000 c 0.000000000000000 0.000000000000000 7.272966890000000 Atomic positions (fractional): 1 Ba 0.33201276551435 0.99796599521067 0.17880599745978 137.327 2 Ba 0.00203400478933 0.33404677030368 0.17880599745978 137.327 3 Ba 0.33404677030368 0.33201276551435 0.82119400254022 137.327 4 Ba 0.99796599521067 0.66595322969632 0.82119400254022 137.327 5 Ba 0.66666666666667 0.33333333333333 0.49125263977377 137.327 6 Ba 0.66798723448565 0.00203400478933 0.82119400254022 137.327 7 Ba 0.66595322969632 0.66798723448565 0.17880599745978 137.327 8 Ba 0.33333333333333 0.66666666666667 0.50874736022623 137.327 9 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 10 Mg 0.66666666666667 0.33333333333333 0.98106528706858 24.305 11 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 12 Mg 0.33333333333333 0.66666666666667 0.01893471293142 24.305 13 Si 0.66195415199719 0.67161625237742 0.74099710633379 28.085 14 Si 0.00966210038023 0.33804584800281 0.74099710633379 28.085 15 Si 0.32838374762258 0.99033789961977 0.74099710633379 28.085 16 Si 0.33804584800281 0.32838374762258 0.25900289366621 28.085 17 Si 0.67161625237742 0.00966210038023 0.25900289366621 28.085 18 Si 0.99033789961977 0.66195415199719 0.25900289366621 28.085 19 O 0.50884068112693 0.66538047477069 0.85165369635922 15.999 20 O 0.00141652928892 0.82634820422707 0.17604233092827 15.999 21 O 0.17506832506185 0.00141652928892 0.82395766907173 15.999 22 O 0.30389647471927 0.94579261981959 0.52476239532246 15.999 23 O 0.66538047477069 0.15653979364376 0.14834630364078 15.999 24 O 0.84346020635624 0.50884068112693 0.14834630364078 15.999 25 O 0.15653979364376 0.49115931887307 0.85165369635922 15.999 26 O 0.35810385489968 0.30389647471927 0.47523760467754 15.999 27 O 0.82634820422707 0.82493167493815 0.82395766907173 15.999 28 O 0.99858347071108 0.17365179577293 0.82395766907173 15.999 29 O 0.94579261981959 0.64189614510032 0.47523760467754 15.999 30 O 0.49154897536721 0.15697259222720 0.79770996465726 15.999 31 O 0.69610352528073 0.05420738018041 0.47523760467754 15.999 32 O 0.82493167493815 0.99858347071108 0.17604233092827 15.999 33 O 0.50845102463279 0.84302740777281 0.20229003534274 15.999 34 O 0.49115931887307 0.33461952522931 0.14834630364078 15.999 35 O 0.66542361685999 0.50845102463279 0.79770996465726 15.999 36 O 0.05420738018041 0.35810385489968 0.52476239532246 15.999 37 O 0.15697259222720 0.66542361685999 0.20229003534274 15.999 38 O 0.33461952522931 0.84346020635624 0.85165369635922 15.999 39 O 0.84302740777281 0.33457638314001 0.79770996465726 15.999 40 O 0.64189614510032 0.69610352528073 0.52476239532246 15.999 41 O 0.33457638314001 0.49154897536721 0.20229003534274 15.999 42 O 0.17365179577293 0.17506832506185 0.17604233092827 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.720259548023277 0.000000000000000 0.000000000000000 b -4.860129774011638 8.417991699966404 0.000000000000000 c 0.000000000000000 0.000000000000000 14.545933780000000 Atomic positions (fractional): 1 Ba 0.33201276551435 0.99796599521067 0.08940299872989 137.327 > 1 2 Ba 0.33201276551435 0.99796599521067 0.58940299872989 137.327 > 1 3 Ba 0.00203400478933 0.33404677030368 0.08940299872989 137.327 > 3 4 Ba 0.00203400478933 0.33404677030368 0.58940299872989 137.327 > 3 5 Ba 0.33404677030368 0.33201276551435 0.41059700127011 137.327 > 5 6 Ba 0.33404677030368 0.33201276551435 0.91059700127011 137.327 > 5 7 Ba 0.99796599521067 0.66595322969632 0.41059700127011 137.327 > 7 8 Ba 0.99796599521067 0.66595322969632 0.91059700127011 137.327 > 7 9 Ba 0.66666666666667 0.33333333333333 0.24562631988688 137.327 > 9 10 Ba 0.66666666666667 0.33333333333333 0.74562631988688 137.327 > 9 11 Ba 0.66798723448565 0.00203400478933 0.41059700127011 137.327 > 11 12 Ba 0.66798723448565 0.00203400478933 0.91059700127011 137.327 > 11 13 Ba 0.66595322969632 0.66798723448565 0.08940299872989 137.327 > 13 14 Ba 0.66595322969632 0.66798723448565 0.58940299872989 137.327 > 13 15 Ba 0.33333333333333 0.66666666666667 0.25437368011312 137.327 > 15 16 Ba 0.33333333333333 0.66666666666667 0.75437368011312 137.327 > 15 17 Ba 0.00000000000000 0.00000000000000 0.25000000000000 137.327 > 17 18 Ba 0.00000000000000 0.00000000000000 0.75000000000000 137.327 > 17 19 Mg 0.66666666666667 0.33333333333333 0.49053264353429 24.305 > 19 20 Mg 0.66666666666667 0.33333333333333 0.99053264353429 24.305 > 19 21 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 21 22 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 21 23 Mg 0.33333333333333 0.66666666666667 0.00946735646571 24.305 > 23 24 Mg 0.33333333333333 0.66666666666667 0.50946735646571 24.305 > 23 25 Si 0.66195415199719 0.67161625237742 0.37049855316690 28.085 > 25 26 Si 0.66195415199719 0.67161625237742 0.87049855316690 28.085 > 25 27 Si 0.00966210038023 0.33804584800281 0.37049855316690 28.085 > 27 28 Si 0.00966210038023 0.33804584800281 0.87049855316690 28.085 > 27 29 Si 0.32838374762258 0.99033789961977 0.37049855316690 28.085 > 29 30 Si 0.32838374762258 0.99033789961977 0.87049855316690 28.085 > 29 31 Si 0.33804584800281 0.32838374762258 0.12950144683310 28.085 > 31 32 Si 0.33804584800281 0.32838374762258 0.62950144683310 28.085 > 31 33 Si 0.67161625237742 0.00966210038023 0.12950144683310 28.085 > 33 34 Si 0.67161625237742 0.00966210038023 0.62950144683310 28.085 > 33 35 Si 0.99033789961977 0.66195415199719 0.12950144683310 28.085 > 35 36 Si 0.99033789961977 0.66195415199719 0.62950144683310 28.085 > 35 37 O 0.50884068112693 0.66538047477069 0.42582684817961 15.999 > 37 38 O 0.50884068112693 0.66538047477069 0.92582684817961 15.999 > 37 39 O 0.00141652928892 0.82634820422707 0.08802116546414 15.999 > 39 40 O 0.00141652928892 0.82634820422707 0.58802116546414 15.999 > 39 41 O 0.17506832506185 0.00141652928892 0.41197883453586 15.999 > 41 42 O 0.17506832506185 0.00141652928892 0.91197883453586 15.999 > 41 43 O 0.30389647471927 0.94579261981959 0.26238119766123 15.999 > 43 44 O 0.30389647471927 0.94579261981959 0.76238119766123 15.999 > 43 45 O 0.66538047477069 0.15653979364376 0.07417315182039 15.999 > 45 46 O 0.66538047477069 0.15653979364376 0.57417315182039 15.999 > 45 47 O 0.84346020635624 0.50884068112693 0.07417315182039 15.999 > 47 48 O 0.84346020635624 0.50884068112693 0.57417315182039 15.999 > 47 49 O 0.15653979364376 0.49115931887307 0.42582684817961 15.999 > 49 50 O 0.15653979364376 0.49115931887307 0.92582684817961 15.999 > 49 51 O 0.35810385489968 0.30389647471927 0.23761880233877 15.999 > 51 52 O 0.35810385489968 0.30389647471927 0.73761880233877 15.999 > 51 53 O 0.82634820422707 0.82493167493815 0.41197883453586 15.999 > 53 54 O 0.82634820422707 0.82493167493815 0.91197883453586 15.999 > 53 55 O 0.99858347071108 0.17365179577293 0.41197883453586 15.999 > 55 56 O 0.99858347071108 0.17365179577293 0.91197883453586 15.999 > 55 57 O 0.94579261981959 0.64189614510032 0.23761880233877 15.999 > 57 58 O 0.94579261981959 0.64189614510032 0.73761880233877 15.999 > 57 59 O 0.49154897536721 0.15697259222720 0.39885498232863 15.999 > 59 60 O 0.49154897536721 0.15697259222720 0.89885498232863 15.999 > 59 61 O 0.69610352528073 0.05420738018041 0.23761880233877 15.999 > 61 62 O 0.69610352528073 0.05420738018041 0.73761880233877 15.999 > 61 63 O 0.82493167493815 0.99858347071108 0.08802116546414 15.999 > 63 64 O 0.82493167493815 0.99858347071108 0.58802116546414 15.999 > 63 65 O 0.50845102463279 0.84302740777281 0.10114501767137 15.999 > 65 66 O 0.50845102463279 0.84302740777281 0.60114501767137 15.999 > 65 67 O 0.49115931887307 0.33461952522931 0.07417315182039 15.999 > 67 68 O 0.49115931887307 0.33461952522931 0.57417315182039 15.999 > 67 69 O 0.66542361685999 0.50845102463279 0.39885498232863 15.999 > 69 70 O 0.66542361685999 0.50845102463279 0.89885498232863 15.999 > 69 71 O 0.05420738018041 0.35810385489968 0.26238119766123 15.999 > 71 72 O 0.05420738018041 0.35810385489968 0.76238119766123 15.999 > 71 73 O 0.15697259222720 0.66542361685999 0.10114501767137 15.999 > 73 74 O 0.15697259222720 0.66542361685999 0.60114501767137 15.999 > 73 75 O 0.33461952522931 0.84346020635624 0.42582684817961 15.999 > 75 76 O 0.33461952522931 0.84346020635624 0.92582684817961 15.999 > 75 77 O 0.84302740777281 0.33457638314001 0.39885498232863 15.999 > 77 78 O 0.84302740777281 0.33457638314001 0.89885498232863 15.999 > 77 79 O 0.64189614510032 0.69610352528073 0.26238119766123 15.999 > 79 80 O 0.64189614510032 0.69610352528073 0.76238119766123 15.999 > 79 81 O 0.33457638314001 0.49154897536721 0.10114501767137 15.999 > 81 82 O 0.33457638314001 0.49154897536721 0.60114501767137 15.999 > 81 83 O 0.17365179577293 0.17506832506185 0.08802116546414 15.999 > 83 84 O 0.17365179577293 0.17506832506185 0.58802116546414 15.999 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5161713 -0.0000000 0.0000000 0.0000000 3.5161713 0.0000000 0.0000000 0.0000000 3.6053144 -------------------------- Born effective charges -------------------------- 1 Ba 2.7087387 -0.0016134 -0.0197672 0.0003472 2.7083112 -0.0831270 -0.0407735 -0.0852048 2.8612051 2 Ba 2.7078698 -0.0008488 0.0818737 0.0011117 2.7091801 0.0244446 0.0941763 0.0072915 2.8612051 3 Ba 2.7089664 -0.0004786 -0.0621065 0.0014819 2.7080835 0.0586824 -0.0534028 0.0779133 2.8612051 4 Ba 2.7078698 -0.0008488 0.0818737 0.0011117 2.7091801 0.0244446 0.0941763 0.0072915 2.8612051 5 Ba 2.7257568 -0.0087307 0.0000000 0.0087307 2.7257568 0.0000000 0.0000000 -0.0000000 2.7832102 6 Ba 2.7087387 -0.0016134 -0.0197672 0.0003472 2.7083112 -0.0831270 -0.0407735 -0.0852048 2.8612051 7 Ba 2.7089664 -0.0004786 -0.0621065 0.0014819 2.7080835 0.0586824 -0.0534028 0.0779133 2.8612051 8 Ba 2.7257568 -0.0087307 0.0000000 0.0087307 2.7257568 0.0000000 0.0000000 -0.0000000 2.7832102 9 Ba 2.7232896 0.0224651 0.0000000 -0.0224651 2.7232896 0.0000000 0.0000000 -0.0000000 2.9189371 10 Mg 2.3473426 -0.0130551 0.0000000 0.0130551 2.3473426 0.0000000 0.0000000 -0.0000000 2.2381247 11 Mg 2.3352057 0.0243050 0.0000000 -0.0243050 2.3352057 0.0000000 0.0000000 -0.0000000 2.2531366 12 Mg 2.3473426 -0.0130551 0.0000000 0.0130551 2.3473426 0.0000000 0.0000000 -0.0000000 2.2381247 13 Si 2.7472175 -0.0417064 0.1197658 -0.0471710 2.7579776 -0.0840695 0.0560647 -0.0847960 3.0083145 14 Si 2.7937726 0.0202924 -0.1326892 0.0148278 2.7114225 -0.0616855 -0.1014678 -0.0061555 3.0083145 15 Si 2.7168025 0.0296109 0.0129234 0.0241463 2.7883925 0.1457550 0.0454031 0.0909515 3.0083145 16 Si 2.7472175 -0.0417064 0.1197658 -0.0471710 2.7579776 -0.0840695 0.0560647 -0.0847960 3.0083145 17 Si 2.7168025 0.0296109 0.0129234 0.0241463 2.7883925 0.1457550 0.0454031 0.0909515 3.0083145 18 Si 2.7937726 0.0202924 -0.1326892 0.0148278 2.7114225 -0.0616855 -0.1014678 -0.0061555 3.0083145 19 O -2.2585465 -0.0198052 0.2282234 -0.0283924 -1.9202427 0.0166631 0.2737987 0.0280950 -2.0182808 20 O -2.0202539 0.1371360 -0.0632459 0.1574114 -2.2952630 0.1709050 -0.0674131 0.1958638 -1.8619622 21 O -2.3540534 0.0353079 0.1796310 0.0555833 -1.9614634 -0.0306800 0.2033296 -0.0395504 -1.8619622 22 O -1.5241689 0.1225456 0.0024203 0.1203659 -1.5994896 -0.1394770 -0.0024455 -0.0527523 -2.7886487 23 O -2.0256889 0.1628328 -0.1285423 0.1542456 -2.1531003 0.1893158 -0.1612303 0.2230691 -2.0182808 24 O -1.9839485 -0.1301468 -0.0996811 -0.1387340 -2.1948407 -0.2059788 -0.1125684 -0.2511641 -2.0182808 25 O -1.9839485 -0.1301468 -0.0996811 -0.1387340 -2.1948407 -0.2059788 -0.1125684 -0.2511641 -2.0182808 26 O -1.6858432 -0.0270232 -0.1220008 -0.0292029 -1.4378154 0.0676424 -0.0444621 0.0284940 -2.7886487 27 O -2.0989680 -0.2028570 -0.1163851 -0.1825816 -2.2165489 -0.1402250 -0.1359164 -0.1563134 -1.8619622 28 O -2.0202539 0.1371360 -0.0632459 0.1574114 -2.2952630 0.1709050 -0.0674131 0.1958638 -1.8619622 29 O -1.4754757 -0.0922528 0.1195804 -0.0944325 -1.6481829 0.0718346 0.0469076 0.0242583 -2.7886487 30 O -2.0513290 -0.2049471 -0.0419178 -0.2098855 -2.3211827 -0.0925401 -0.0559792 -0.1110771 -1.7364185 31 O -1.5241689 0.1225456 0.0024203 0.1203659 -1.5994896 -0.1394770 -0.0024455 -0.0527523 -2.7886487 32 O -2.3540534 0.0353079 0.1796310 0.0555833 -1.9614634 -0.0306800 0.2033296 -0.0395504 -1.8619622 33 O -2.0513290 -0.2049471 -0.0419178 -0.2098855 -2.3211827 -0.0925401 -0.0559792 -0.1110771 -1.7364185 34 O -2.2585465 -0.0198052 0.2282234 -0.0283924 -1.9202427 0.0166631 0.2737987 0.0280950 -2.0182808 35 O -2.0740915 0.2230274 -0.0591832 0.2180890 -2.2984202 0.0825719 -0.0682060 0.1040180 -1.7364185 36 O -1.4754757 -0.0922528 0.1195804 -0.0944325 -1.6481829 0.0718346 0.0469076 0.0242583 -2.7886487 37 O -2.4333470 -0.0106727 0.1011010 -0.0156111 -1.9391647 0.0099682 0.1241852 0.0070591 -1.7364185 38 O -2.0256889 0.1628328 -0.1285423 0.1542456 -2.1531003 0.1893158 -0.1612303 0.2230691 -2.0182808 39 O -2.4333470 -0.0106727 0.1011010 -0.0156111 -1.9391647 0.0099682 0.1241852 0.0070591 -1.7364185 40 O -1.6858432 -0.0270232 -0.1220008 -0.0292029 -1.4378154 0.0676424 -0.0444621 0.0284940 -2.7886487 41 O -2.0740915 0.2230274 -0.0591832 0.2180890 -2.2984202 0.0825719 -0.0682060 0.1040180 -1.7364185 42 O -2.0989680 -0.2028570 -0.1163851 -0.1825816 -2.2165489 -0.1402250 -0.1359164 -0.1563134 -1.8619622 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:47:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:47:46]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3 (147) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.720259548023277 0.000000000000000 0.000000000000000 b -4.860129774011638 8.417991699966404 0.000000000000000 c 0.000000000000000 0.000000000000000 7.272966890000000 Atomic positions (fractional): 1 Ba 0.33201276551435 0.99796599521067 0.17880599745978 137.327 2 Ba 0.00203400478933 0.33404677030368 0.17880599745978 137.327 3 Ba 0.33404677030368 0.33201276551435 0.82119400254022 137.327 4 Ba 0.99796599521067 0.66595322969632 0.82119400254022 137.327 5 Ba 0.66666666666667 0.33333333333333 0.49125263977377 137.327 6 Ba 0.66798723448565 0.00203400478933 0.82119400254022 137.327 7 Ba 0.66595322969632 0.66798723448565 0.17880599745978 137.327 8 Ba 0.33333333333333 0.66666666666667 0.50874736022623 137.327 9 Ba 0.00000000000000 0.00000000000000 0.50000000000000 137.327 10 Mg 0.66666666666667 0.33333333333333 0.98106528706858 24.305 11 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 12 Mg 0.33333333333333 0.66666666666667 0.01893471293142 24.305 13 Si 0.66195415199719 0.67161625237742 0.74099710633379 28.085 14 Si 0.00966210038023 0.33804584800281 0.74099710633379 28.085 15 Si 0.32838374762258 0.99033789961977 0.74099710633379 28.085 16 Si 0.33804584800281 0.32838374762258 0.25900289366621 28.085 17 Si 0.67161625237742 0.00966210038023 0.25900289366621 28.085 18 Si 0.99033789961977 0.66195415199719 0.25900289366621 28.085 19 O 0.50884068112693 0.66538047477069 0.85165369635922 15.999 20 O 0.00141652928892 0.82634820422707 0.17604233092827 15.999 21 O 0.17506832506185 0.00141652928892 0.82395766907173 15.999 22 O 0.30389647471927 0.94579261981959 0.52476239532246 15.999 23 O 0.66538047477069 0.15653979364376 0.14834630364078 15.999 24 O 0.84346020635624 0.50884068112693 0.14834630364078 15.999 25 O 0.15653979364376 0.49115931887307 0.85165369635922 15.999 26 O 0.35810385489968 0.30389647471927 0.47523760467754 15.999 27 O 0.82634820422707 0.82493167493815 0.82395766907173 15.999 28 O 0.99858347071108 0.17365179577293 0.82395766907173 15.999 29 O 0.94579261981959 0.64189614510032 0.47523760467754 15.999 30 O 0.49154897536721 0.15697259222720 0.79770996465726 15.999 31 O 0.69610352528073 0.05420738018041 0.47523760467754 15.999 32 O 0.82493167493815 0.99858347071108 0.17604233092827 15.999 33 O 0.50845102463279 0.84302740777281 0.20229003534274 15.999 34 O 0.49115931887307 0.33461952522931 0.14834630364078 15.999 35 O 0.66542361685999 0.50845102463279 0.79770996465726 15.999 36 O 0.05420738018041 0.35810385489968 0.52476239532246 15.999 37 O 0.15697259222720 0.66542361685999 0.20229003534274 15.999 38 O 0.33461952522931 0.84346020635624 0.85165369635922 15.999 39 O 0.84302740777281 0.33457638314001 0.79770996465726 15.999 40 O 0.64189614510032 0.69610352528073 0.52476239532246 15.999 41 O 0.33457638314001 0.49154897536721 0.20229003534274 15.999 42 O 0.17365179577293 0.17506832506185 0.17604233092827 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.720259548023277 0.000000000000000 0.000000000000000 b -4.860129774011638 8.417991699966404 0.000000000000000 c 0.000000000000000 0.000000000000000 14.545933780000000 Atomic positions (fractional): 1 Ba 0.33201276551435 0.99796599521067 0.08940299872989 137.327 > 1 2 Ba 0.33201276551435 0.99796599521067 0.58940299872989 137.327 > 1 3 Ba 0.00203400478933 0.33404677030368 0.08940299872989 137.327 > 3 4 Ba 0.00203400478933 0.33404677030368 0.58940299872989 137.327 > 3 5 Ba 0.33404677030368 0.33201276551435 0.41059700127011 137.327 > 5 6 Ba 0.33404677030368 0.33201276551435 0.91059700127011 137.327 > 5 7 Ba 0.99796599521067 0.66595322969632 0.41059700127011 137.327 > 7 8 Ba 0.99796599521067 0.66595322969632 0.91059700127011 137.327 > 7 9 Ba 0.66666666666667 0.33333333333333 0.24562631988688 137.327 > 9 10 Ba 0.66666666666667 0.33333333333333 0.74562631988688 137.327 > 9 11 Ba 0.66798723448565 0.00203400478933 0.41059700127011 137.327 > 11 12 Ba 0.66798723448565 0.00203400478933 0.91059700127011 137.327 > 11 13 Ba 0.66595322969632 0.66798723448565 0.08940299872989 137.327 > 13 14 Ba 0.66595322969632 0.66798723448565 0.58940299872989 137.327 > 13 15 Ba 0.33333333333333 0.66666666666667 0.25437368011312 137.327 > 15 16 Ba 0.33333333333333 0.66666666666667 0.75437368011312 137.327 > 15 17 Ba 0.00000000000000 0.00000000000000 0.25000000000000 137.327 > 17 18 Ba 0.00000000000000 0.00000000000000 0.75000000000000 137.327 > 17 19 Mg 0.66666666666667 0.33333333333333 0.49053264353429 24.305 > 19 20 Mg 0.66666666666667 0.33333333333333 0.99053264353429 24.305 > 19 21 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 21 22 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 21 23 Mg 0.33333333333333 0.66666666666667 0.00946735646571 24.305 > 23 24 Mg 0.33333333333333 0.66666666666667 0.50946735646571 24.305 > 23 25 Si 0.66195415199719 0.67161625237742 0.37049855316690 28.085 > 25 26 Si 0.66195415199719 0.67161625237742 0.87049855316690 28.085 > 25 27 Si 0.00966210038023 0.33804584800281 0.37049855316690 28.085 > 27 28 Si 0.00966210038023 0.33804584800281 0.87049855316690 28.085 > 27 29 Si 0.32838374762258 0.99033789961977 0.37049855316690 28.085 > 29 30 Si 0.32838374762258 0.99033789961977 0.87049855316690 28.085 > 29 31 Si 0.33804584800281 0.32838374762258 0.12950144683310 28.085 > 31 32 Si 0.33804584800281 0.32838374762258 0.62950144683310 28.085 > 31 33 Si 0.67161625237742 0.00966210038023 0.12950144683310 28.085 > 33 34 Si 0.67161625237742 0.00966210038023 0.62950144683310 28.085 > 33 35 Si 0.99033789961977 0.66195415199719 0.12950144683310 28.085 > 35 36 Si 0.99033789961977 0.66195415199719 0.62950144683310 28.085 > 35 37 O 0.50884068112693 0.66538047477069 0.42582684817961 15.999 > 37 38 O 0.50884068112693 0.66538047477069 0.92582684817961 15.999 > 37 39 O 0.00141652928892 0.82634820422707 0.08802116546414 15.999 > 39 40 O 0.00141652928892 0.82634820422707 0.58802116546414 15.999 > 39 41 O 0.17506832506185 0.00141652928892 0.41197883453586 15.999 > 41 42 O 0.17506832506185 0.00141652928892 0.91197883453586 15.999 > 41 43 O 0.30389647471927 0.94579261981959 0.26238119766123 15.999 > 43 44 O 0.30389647471927 0.94579261981959 0.76238119766123 15.999 > 43 45 O 0.66538047477069 0.15653979364376 0.07417315182039 15.999 > 45 46 O 0.66538047477069 0.15653979364376 0.57417315182039 15.999 > 45 47 O 0.84346020635624 0.50884068112693 0.07417315182039 15.999 > 47 48 O 0.84346020635624 0.50884068112693 0.57417315182039 15.999 > 47 49 O 0.15653979364376 0.49115931887307 0.42582684817961 15.999 > 49 50 O 0.15653979364376 0.49115931887307 0.92582684817961 15.999 > 49 51 O 0.35810385489968 0.30389647471927 0.23761880233877 15.999 > 51 52 O 0.35810385489968 0.30389647471927 0.73761880233877 15.999 > 51 53 O 0.82634820422707 0.82493167493815 0.41197883453586 15.999 > 53 54 O 0.82634820422707 0.82493167493815 0.91197883453586 15.999 > 53 55 O 0.99858347071108 0.17365179577293 0.41197883453586 15.999 > 55 56 O 0.99858347071108 0.17365179577293 0.91197883453586 15.999 > 55 57 O 0.94579261981959 0.64189614510032 0.23761880233877 15.999 > 57 58 O 0.94579261981959 0.64189614510032 0.73761880233877 15.999 > 57 59 O 0.49154897536721 0.15697259222720 0.39885498232863 15.999 > 59 60 O 0.49154897536721 0.15697259222720 0.89885498232863 15.999 > 59 61 O 0.69610352528073 0.05420738018041 0.23761880233877 15.999 > 61 62 O 0.69610352528073 0.05420738018041 0.73761880233877 15.999 > 61 63 O 0.82493167493815 0.99858347071108 0.08802116546414 15.999 > 63 64 O 0.82493167493815 0.99858347071108 0.58802116546414 15.999 > 63 65 O 0.50845102463279 0.84302740777281 0.10114501767137 15.999 > 65 66 O 0.50845102463279 0.84302740777281 0.60114501767137 15.999 > 65 67 O 0.49115931887307 0.33461952522931 0.07417315182039 15.999 > 67 68 O 0.49115931887307 0.33461952522931 0.57417315182039 15.999 > 67 69 O 0.66542361685999 0.50845102463279 0.39885498232863 15.999 > 69 70 O 0.66542361685999 0.50845102463279 0.89885498232863 15.999 > 69 71 O 0.05420738018041 0.35810385489968 0.26238119766123 15.999 > 71 72 O 0.05420738018041 0.35810385489968 0.76238119766123 15.999 > 71 73 O 0.15697259222720 0.66542361685999 0.10114501767137 15.999 > 73 74 O 0.15697259222720 0.66542361685999 0.60114501767137 15.999 > 73 75 O 0.33461952522931 0.84346020635624 0.42582684817961 15.999 > 75 76 O 0.33461952522931 0.84346020635624 0.92582684817961 15.999 > 75 77 O 0.84302740777281 0.33457638314001 0.39885498232863 15.999 > 77 78 O 0.84302740777281 0.33457638314001 0.89885498232863 15.999 > 77 79 O 0.64189614510032 0.69610352528073 0.26238119766123 15.999 > 79 80 O 0.64189614510032 0.69610352528073 0.76238119766123 15.999 > 79 81 O 0.33457638314001 0.49154897536721 0.10114501767137 15.999 > 81 82 O 0.33457638314001 0.49154897536721 0.60114501767137 15.999 > 81 83 O 0.17365179577293 0.17506832506185 0.08802116546414 15.999 > 83 84 O 0.17365179577293 0.17506832506185 0.58802116546414 15.999 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5161713 -0.0000000 0.0000000 0.0000000 3.5161713 0.0000000 0.0000000 0.0000000 3.6053144 -------------------------- Born effective charges -------------------------- 1 Ba 2.7087387 -0.0016134 -0.0197672 0.0003472 2.7083112 -0.0831270 -0.0407735 -0.0852048 2.8612051 2 Ba 2.7078698 -0.0008488 0.0818737 0.0011117 2.7091801 0.0244446 0.0941763 0.0072915 2.8612051 3 Ba 2.7089664 -0.0004786 -0.0621065 0.0014819 2.7080835 0.0586824 -0.0534028 0.0779133 2.8612051 4 Ba 2.7078698 -0.0008488 0.0818737 0.0011117 2.7091801 0.0244446 0.0941763 0.0072915 2.8612051 5 Ba 2.7257568 -0.0087307 0.0000000 0.0087307 2.7257568 0.0000000 0.0000000 -0.0000000 2.7832102 6 Ba 2.7087387 -0.0016134 -0.0197672 0.0003472 2.7083112 -0.0831270 -0.0407735 -0.0852048 2.8612051 7 Ba 2.7089664 -0.0004786 -0.0621065 0.0014819 2.7080835 0.0586824 -0.0534028 0.0779133 2.8612051 8 Ba 2.7257568 -0.0087307 0.0000000 0.0087307 2.7257568 0.0000000 0.0000000 -0.0000000 2.7832102 9 Ba 2.7232896 0.0224651 0.0000000 -0.0224651 2.7232896 0.0000000 0.0000000 -0.0000000 2.9189371 10 Mg 2.3473426 -0.0130551 0.0000000 0.0130551 2.3473426 0.0000000 0.0000000 -0.0000000 2.2381247 11 Mg 2.3352057 0.0243050 0.0000000 -0.0243050 2.3352057 0.0000000 0.0000000 -0.0000000 2.2531366 12 Mg 2.3473426 -0.0130551 0.0000000 0.0130551 2.3473426 0.0000000 0.0000000 -0.0000000 2.2381247 13 Si 2.7472175 -0.0417064 0.1197658 -0.0471710 2.7579776 -0.0840695 0.0560647 -0.0847960 3.0083145 14 Si 2.7937726 0.0202924 -0.1326892 0.0148278 2.7114225 -0.0616855 -0.1014678 -0.0061555 3.0083145 15 Si 2.7168025 0.0296109 0.0129234 0.0241463 2.7883925 0.1457550 0.0454031 0.0909515 3.0083145 16 Si 2.7472175 -0.0417064 0.1197658 -0.0471710 2.7579776 -0.0840695 0.0560647 -0.0847960 3.0083145 17 Si 2.7168025 0.0296109 0.0129234 0.0241463 2.7883925 0.1457550 0.0454031 0.0909515 3.0083145 18 Si 2.7937726 0.0202924 -0.1326892 0.0148278 2.7114225 -0.0616855 -0.1014678 -0.0061555 3.0083145 19 O -2.2585465 -0.0198052 0.2282234 -0.0283924 -1.9202427 0.0166631 0.2737987 0.0280950 -2.0182808 20 O -2.0202539 0.1371360 -0.0632459 0.1574114 -2.2952630 0.1709050 -0.0674131 0.1958638 -1.8619622 21 O -2.3540534 0.0353079 0.1796310 0.0555833 -1.9614634 -0.0306800 0.2033296 -0.0395504 -1.8619622 22 O -1.5241689 0.1225456 0.0024203 0.1203659 -1.5994896 -0.1394770 -0.0024455 -0.0527523 -2.7886487 23 O -2.0256889 0.1628328 -0.1285423 0.1542456 -2.1531003 0.1893158 -0.1612303 0.2230691 -2.0182808 24 O -1.9839485 -0.1301468 -0.0996811 -0.1387340 -2.1948407 -0.2059788 -0.1125684 -0.2511641 -2.0182808 25 O -1.9839485 -0.1301468 -0.0996811 -0.1387340 -2.1948407 -0.2059788 -0.1125684 -0.2511641 -2.0182808 26 O -1.6858432 -0.0270232 -0.1220008 -0.0292029 -1.4378154 0.0676424 -0.0444621 0.0284940 -2.7886487 27 O -2.0989680 -0.2028570 -0.1163851 -0.1825816 -2.2165489 -0.1402250 -0.1359164 -0.1563134 -1.8619622 28 O -2.0202539 0.1371360 -0.0632459 0.1574114 -2.2952630 0.1709050 -0.0674131 0.1958638 -1.8619622 29 O -1.4754757 -0.0922528 0.1195804 -0.0944325 -1.6481829 0.0718346 0.0469076 0.0242583 -2.7886487 30 O -2.0513290 -0.2049471 -0.0419178 -0.2098855 -2.3211827 -0.0925401 -0.0559792 -0.1110771 -1.7364185 31 O -1.5241689 0.1225456 0.0024203 0.1203659 -1.5994896 -0.1394770 -0.0024455 -0.0527523 -2.7886487 32 O -2.3540534 0.0353079 0.1796310 0.0555833 -1.9614634 -0.0306800 0.2033296 -0.0395504 -1.8619622 33 O -2.0513290 -0.2049471 -0.0419178 -0.2098855 -2.3211827 -0.0925401 -0.0559792 -0.1110771 -1.7364185 34 O -2.2585465 -0.0198052 0.2282234 -0.0283924 -1.9202427 0.0166631 0.2737987 0.0280950 -2.0182808 35 O -2.0740915 0.2230274 -0.0591832 0.2180890 -2.2984202 0.0825719 -0.0682060 0.1040180 -1.7364185 36 O -1.4754757 -0.0922528 0.1195804 -0.0944325 -1.6481829 0.0718346 0.0469076 0.0242583 -2.7886487 37 O -2.4333470 -0.0106727 0.1011010 -0.0156111 -1.9391647 0.0099682 0.1241852 0.0070591 -1.7364185 38 O -2.0256889 0.1628328 -0.1285423 0.1542456 -2.1531003 0.1893158 -0.1612303 0.2230691 -2.0182808 39 O -2.4333470 -0.0106727 0.1011010 -0.0156111 -1.9391647 0.0099682 0.1241852 0.0070591 -1.7364185 40 O -1.6858432 -0.0270232 -0.1220008 -0.0292029 -1.4378154 0.0676424 -0.0444621 0.0284940 -2.7886487 41 O -2.0740915 0.2230274 -0.0591832 0.2180890 -2.2984202 0.0825719 -0.0682060 0.1040180 -1.7364185 42 O -2.0989680 -0.2028570 -0.1163851 -0.1825816 -2.2165489 -0.1402250 -0.1359164 -0.1563134 -1.8619622 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) --------------------------- 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 6 7 ] 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: 0.49, Number of G-points: 283, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 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 0.821 ( 0.000 0.000 0.000) 0.000 0.873 ( 0.000 0.000 0.000) 0.000 0.873 ( 0.000 0.000 0.000) 0.000 1.657 ( 0.000 0.000 0.000) 0.000 1.833 ( 0.000 0.000 0.000) 0.000 1.833 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.242 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.678 ( 0.000 0.000 0.000) 0.000 3.711 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 6.029 ( 0.000 0.000 0.000) 0.000 6.029 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.120 ( 0.000 0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 0.000) 0.000 6.526 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 6.745 ( 0.000 0.000 0.000) 0.000 6.835 ( 0.000 0.000 0.000) 0.000 6.835 ( 0.000 0.000 0.000) 0.000 6.949 ( 0.000 0.000 0.000) 0.000 7.431 ( 0.000 0.000 0.000) 0.000 7.508 ( 0.000 0.000 0.000) 0.000 7.546 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 7.734 ( 0.000 0.000 0.000) 0.000 7.734 ( 0.000 0.000 0.000) 0.000 8.198 ( 0.000 0.000 0.000) 0.000 8.204 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.175 ( 0.000 0.000 0.000) 0.000 9.175 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.504 ( 0.000 0.000 0.000) 0.000 10.105 ( 0.000 0.000 0.000) 0.000 10.105 ( 0.000 0.000 0.000) 0.000 10.274 ( 0.000 0.000 0.000) 0.000 10.306 ( 0.000 0.000 0.000) 0.000 10.625 ( 0.000 0.000 0.000) 0.000 10.625 ( 0.000 0.000 0.000) 0.000 11.126 ( 0.000 0.000 0.000) 0.000 11.126 ( 0.000 0.000 0.000) 0.000 11.255 ( 0.000 0.000 0.000) 0.000 11.255 ( 0.000 0.000 0.000) 0.000 11.694 ( 0.000 0.000 0.000) 0.000 11.769 ( 0.000 0.000 0.000) 0.000 13.951 ( 0.000 0.000 0.000) 0.000 13.951 ( 0.000 0.000 0.000) 0.000 13.979 ( 0.000 0.000 0.000) 0.000 14.062 ( 0.000 0.000 0.000) 0.000 14.062 ( 0.000 0.000 0.000) 0.000 14.077 ( 0.000 0.000 0.000) 0.000 14.217 ( 0.000 0.000 0.000) 0.000 14.217 ( 0.000 0.000 0.000) 0.000 14.243 ( 0.000 0.000 0.000) 0.000 14.376 ( 0.000 0.000 0.000) 0.000 14.376 ( 0.000 0.000 0.000) 0.000 14.763 ( 0.000 0.000 0.000) 0.000 14.888 ( 0.000 0.000 0.000) 0.000 15.076 ( 0.000 0.000 0.000) 0.000 15.366 ( 0.000 0.000 0.000) 0.000 15.366 ( 0.000 0.000 0.000) 0.000 15.377 ( 0.000 0.000 0.000) 0.000 15.377 ( 0.000 0.000 0.000) 0.000 24.265 ( 0.000 0.000 0.000) 0.000 24.265 ( 0.000 0.000 0.000) 0.000 24.269 ( 0.000 0.000 0.000) 0.000 24.269 ( 0.000 0.000 0.000) 0.000 24.487 ( 0.000 0.000 0.000) 0.000 24.663 ( 0.000 0.000 0.000) 0.000 24.663 ( 0.000 0.000 0.000) 0.000 24.860 ( 0.000 0.000 0.000) 0.000 24.995 ( 0.000 0.000 0.000) 0.000 24.995 ( 0.000 0.000 0.000) 0.000 25.184 ( 0.000 0.000 0.000) 0.000 25.184 ( 0.000 0.000 0.000) 0.000 25.399 ( 0.000 0.000 0.000) 0.000 25.399 ( 0.000 0.000 0.000) 0.000 25.527 ( 0.000 0.000 0.000) 0.000 25.671 ( 0.000 0.000 0.000) 0.000 27.213 ( 0.000 0.000 0.000) 0.000 27.730 ( 0.000 0.000 0.000) 0.000 28.419 ( 0.000 0.000 0.000) 0.000 28.419 ( 0.000 0.000 0.000) 0.000 28.452 ( 0.000 0.000 0.000) 0.000 28.452 ( 0.000 0.000 0.000) 0.000 28.948 ( 0.000 0.000 0.000) 0.000 28.974 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 21.157 12.567 -1.647) 24.663 0.733 ( 28.266 15.710 -0.387) 32.341 0.771 ( -3.309 -2.586 -0.352) 4.214 0.951 ( 6.784 6.378 -0.722) 9.339 1.060 ( 38.783 22.455 0.624) 44.819 1.251 ( 4.695 1.116 0.653) 4.870 1.546 ( -6.543 -3.556 0.780) 7.487 1.748 ( -3.977 -4.260 2.027) 6.170 1.887 ( 3.789 4.060 -2.549) 6.111 2.058 ( 1.297 0.614 -2.696) 3.054 2.236 ( 2.976 2.374 1.968) 4.285 2.504 ( -5.164 -4.565 1.081) 6.977 2.607 ( -1.433 -3.739 -1.116) 4.156 2.625 ( -3.623 5.744 -0.513) 6.810 2.694 ( 5.207 -2.798 -0.476) 5.931 2.766 ( 4.892 4.665 -0.917) 6.821 2.824 ( 2.581 1.694 5.023) 5.896 2.877 ( 1.119 1.167 -1.136) 1.975 2.916 ( 5.078 2.334 -0.909) 5.662 3.067 ( -5.275 -3.077 1.336) 6.252 3.146 ( -3.634 -3.240 0.057) 4.869 3.228 ( -2.346 1.674 -1.512) 3.255 3.268 ( 2.164 -1.324 -1.792) 3.106 3.349 ( 3.510 2.895 1.953) 4.952 3.511 ( -0.240 0.768 0.401) 0.899 3.542 ( 4.197 0.445 0.880) 4.311 3.635 ( -4.791 -0.121 -1.628) 5.061 3.672 ( 0.883 -1.351 -0.519) 1.695 3.909 ( -4.644 -2.039 1.798) 5.382 4.055 ( -4.965 1.719 1.623) 5.499 4.115 ( -0.711 3.384 -1.751) 3.876 4.162 ( 7.518 -9.840 -0.280) 12.387 4.326 ( 6.740 9.464 -1.869) 11.768 4.875 ( -4.153 -1.920 6.987) 8.352 4.975 ( 4.519 0.226 -5.456) 7.088 5.001 ( -0.263 1.179 -2.778) 3.029 5.099 ( 3.024 2.636 -4.855) 6.299 5.149 ( 6.856 3.538 6.602) 10.154 5.415 ( 3.559 1.467 0.359) 3.866 5.609 ( -5.170 -2.980 0.249) 5.973 5.712 ( -0.450 0.402 0.075) 0.608 5.727 ( 1.094 -0.045 0.786) 1.348 5.852 ( 3.006 2.180 -0.777) 3.794 5.960 ( -1.788 -0.805 1.552) 2.501 6.059 ( 0.197 1.169 -1.289) 1.751 6.118 ( 0.538 -2.294 -1.787) 2.958 6.156 ( -1.913 -0.978 -0.446) 2.194 6.176 ( 4.420 3.519 -0.201) 5.653 6.418 ( -8.030 -4.589 1.829) 9.428 6.469 ( -1.521 -0.374 1.115) 1.923 6.521 ( -4.873 -6.108 0.340) 7.821 6.530 ( -11.736 -4.884 -0.048) 12.711 6.660 ( -8.660 -2.406 -0.554) 9.005 6.705 ( -6.041 -5.794 0.150) 8.372 6.761 ( -5.787 -1.636 -0.924) 6.085 7.037 ( 7.236 4.050 0.168) 8.294 7.292 ( -10.342 -9.046 0.146) 13.741 7.380 ( -8.863 -3.528 -1.128) 9.606 7.427 ( 1.783 0.543 1.926) 2.680 7.537 ( -4.461 -6.393 -0.524) 7.813 7.765 ( -0.120 11.701 -0.645) 11.719 8.016 ( 17.823 0.056 -0.332) 17.826 8.146 ( 12.472 9.884 0.629) 15.926 8.291 ( 7.378 4.241 0.352) 8.517 8.319 ( 10.846 6.877 -0.295) 12.846 9.028 ( -1.720 -1.947 0.130) 2.601 9.045 ( -4.604 -1.595 -0.538) 4.902 9.065 ( -3.978 -2.519 0.408) 4.726 9.179 ( -3.529 -0.546 -0.438) 3.598 9.216 ( 0.306 -1.021 0.206) 1.085 9.446 ( -5.125 -3.046 -0.195) 5.964 9.842 ( 1.394 0.869 0.651) 1.767 10.097 ( -0.292 -0.194 -0.410) 0.539 10.209 ( -7.075 -3.969 -0.236) 8.115 10.268 ( 0.034 -0.113 0.375) 0.393 10.646 ( 1.928 0.815 0.087) 2.095 10.686 ( 3.818 2.621 0.208) 4.635 10.977 ( 0.474 0.041 0.939) 1.052 11.126 ( 0.240 -0.425 -0.227) 0.539 11.255 ( 0.046 -0.365 0.539) 0.653 11.293 ( 1.830 2.795 -2.579) 4.221 11.453 ( -4.926 -3.626 1.108) 6.216 11.662 ( -2.595 -1.414 -0.347) 2.976 11.733 ( -2.700 -1.515 0.125) 3.098 13.916 ( -1.738 -1.997 0.414) 2.680 13.939 ( -1.781 1.386 -0.293) 2.276 13.994 ( -1.825 -3.824 2.296) 4.819 14.015 ( 0.538 0.624 -2.678) 2.802 14.078 ( -1.112 0.685 -0.066) 1.308 14.183 ( 3.517 2.549 0.580) 4.382 14.213 ( 0.613 -1.975 -0.784) 2.212 14.236 ( -0.176 2.074 1.031) 2.323 14.404 ( 2.820 0.055 0.051) 2.821 14.485 ( 7.512 5.179 -0.812) 9.160 14.743 ( -1.748 -1.014 0.021) 2.021 14.826 ( -3.571 -1.969 0.054) 4.078 14.859 ( -2.227 -1.271 -0.078) 2.566 15.169 ( 6.185 3.594 0.226) 7.157 15.263 ( -3.745 -3.615 -0.401) 5.220 15.312 ( -4.344 -0.642 0.387) 4.408 15.466 ( 3.283 1.496 -0.191) 3.613 15.578 ( 4.467 2.512 0.312) 5.134 24.204 ( -2.437 -2.146 -0.052) 3.247 24.215 ( -2.125 -0.283 0.175) 2.151 24.321 ( 1.909 -0.882 -0.058) 2.104 24.327 ( 1.079 2.503 -0.088) 2.727 24.420 ( -1.798 -1.343 -0.126) 2.247 24.672 ( 0.457 1.003 0.069) 1.104 24.771 ( 6.460 2.827 -0.216) 7.055 24.814 ( -3.630 -2.056 -0.257) 4.179 24.986 ( -0.397 -0.924 -0.191) 1.024 25.011 ( -5.513 -1.406 1.285) 5.833 25.207 ( 3.300 -3.094 -1.019) 4.637 25.237 ( 1.047 5.194 -0.050) 5.298 25.430 ( 2.588 1.138 0.674) 2.906 25.525 ( -0.350 -0.181 0.080) 0.402 25.671 ( 0.046 0.024 -0.050) 0.072 27.047 ( 1.912 1.144 -4.239) 4.789 27.200 ( -1.036 -0.648 4.572) 4.733 27.703 ( -2.233 -1.288 -0.055) 2.578 28.428 ( 1.402 -0.687 0.480) 1.633 28.430 ( 0.093 1.663 -1.298) 2.111 28.475 ( 2.282 1.209 -0.135) 2.586 28.700 ( 1.312 0.757 -1.074) 1.857 28.913 ( -2.990 -1.725 0.044) 3.452 28.955 ( -1.641 -0.948 1.496) 2.414 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -4.049 -3.348 -2.420) 5.784 0.949 ( 12.283 8.230 0.191) 14.787 1.143 ( 7.382 9.786 2.545) 12.519 1.251 ( -7.277 -5.007 -3.194) 9.393 1.317 ( 17.714 10.985 -1.137) 20.874 1.367 ( 7.624 1.131 -0.797) 7.749 1.568 ( 1.054 -6.045 3.830) 7.234 1.864 ( 5.060 3.170 2.248) 6.380 2.026 ( -4.564 12.776 -3.423) 13.992 2.079 ( 12.015 -3.559 -2.560) 12.790 2.298 ( 3.788 3.254 0.887) 5.072 2.427 ( 0.999 -2.714 1.428) 3.225 2.540 ( -2.483 -3.107 1.896) 4.406 2.643 ( -0.639 6.511 -1.094) 6.633 2.728 ( 2.035 -2.694 0.011) 3.376 2.845 ( -3.839 0.037 -2.100) 4.376 2.857 ( 3.364 1.245 2.637) 4.452 2.939 ( 6.704 3.076 0.242) 7.380 2.998 ( -0.963 -3.429 0.800) 3.650 3.023 ( 4.506 2.493 -0.111) 5.151 3.117 ( 2.678 2.751 0.050) 3.840 3.212 ( -1.423 1.822 -1.429) 2.718 3.273 ( 0.333 -3.262 -2.270) 3.988 3.391 ( -3.858 0.905 2.843) 4.877 3.509 ( -3.639 -3.866 2.307) 5.789 3.519 ( 3.034 1.750 0.171) 3.507 3.634 ( 0.914 3.014 -1.987) 3.724 3.707 ( -0.722 -1.002 -5.709) 5.841 3.800 ( -1.737 0.490 6.476) 6.723 3.969 ( -4.837 -3.187 -1.403) 5.960 4.117 ( -0.865 0.267 -2.176) 2.356 4.229 ( 7.520 -4.380 2.193) 8.975 4.513 ( 1.577 8.194 -3.870) 9.198 4.828 ( 1.342 2.430 12.339) 12.648 5.005 ( 4.685 -7.852 -8.066) 12.193 5.071 ( -0.172 7.422 -4.489) 8.676 5.195 ( 4.879 3.253 -2.551) 6.395 5.315 ( 6.671 3.744 2.798) 8.145 5.464 ( -6.457 -4.134 3.563) 8.454 5.538 ( 8.492 1.874 0.263) 8.701 5.688 ( -2.199 -0.260 -0.899) 2.390 5.749 ( 0.255 -0.151 3.322) 3.335 5.847 ( -2.010 0.000 0.833) 2.176 5.941 ( -4.342 2.576 -0.038) 5.049 6.003 ( -5.228 -3.039 -3.736) 7.108 6.034 ( -4.765 -7.284 -1.005) 8.762 6.125 ( -1.256 1.053 -1.854) 2.475 6.163 ( -7.375 -5.566 1.224) 9.320 6.238 ( -5.034 -4.523 -0.358) 6.777 6.314 ( -1.393 1.460 -2.538) 3.242 6.394 ( -11.375 -7.737 4.238) 14.394 6.520 ( 8.831 6.356 1.652) 11.005 6.592 ( -1.412 0.432 -0.802) 1.681 6.602 ( 3.770 3.170 0.801) 4.990 6.696 ( -0.262 -1.282 -0.740) 1.503 7.020 ( -7.903 -9.544 -0.400) 12.398 7.119 ( -11.194 -6.307 -0.715) 12.869 7.255 ( 2.710 1.091 0.580) 2.978 7.418 ( 2.181 0.290 -0.193) 2.209 7.527 ( 3.806 2.949 0.736) 4.871 7.864 ( -1.591 9.543 -0.629) 9.695 8.181 ( -7.895 -5.443 -0.009) 9.589 8.319 ( 13.354 -0.159 -0.434) 13.362 8.463 ( 5.257 2.667 -0.162) 5.897 8.547 ( 11.648 6.732 0.729) 13.474 8.888 ( -6.508 -4.731 0.610) 8.069 9.040 ( -4.199 -0.236 -0.327) 4.218 9.082 ( -1.860 0.822 -0.474) 2.088 9.166 ( -1.129 0.995 -0.027) 1.505 9.213 ( 3.842 0.360 0.727) 3.927 9.321 ( 4.869 2.181 -1.618) 5.575 9.831 ( -2.434 -1.418 1.164) 3.048 10.031 ( -8.385 -4.036 1.422) 9.413 10.105 ( 1.251 0.715 -0.505) 1.527 10.266 ( -1.378 -2.030 -0.775) 2.574 10.703 ( 3.371 1.371 -0.180) 3.643 10.764 ( 1.900 2.887 -1.523) 3.777 10.925 ( -4.008 -3.898 3.371) 6.529 11.114 ( 0.133 -1.408 0.202) 1.429 11.257 ( -1.673 0.543 -0.055) 1.759 11.309 ( -3.336 4.452 -7.184) 9.086 11.394 ( 3.402 -4.911 6.385) 8.743 11.604 ( -2.223 0.384 -2.743) 3.552 11.676 ( -1.769 -1.484 1.325) 2.662 13.840 ( -4.091 -2.506 0.120) 4.799 13.923 ( -1.076 -0.281 0.186) 1.127 13.937 ( -0.404 0.549 0.943) 1.163 14.020 ( 0.019 -3.574 -0.269) 3.584 14.089 ( -0.061 3.938 -1.253) 4.133 14.196 ( 0.433 -0.666 -0.394) 0.887 14.242 ( 1.560 -0.089 0.868) 1.787 14.324 ( 4.950 4.323 0.169) 6.574 14.452 ( 1.944 -0.168 0.200) 1.962 14.659 ( 3.975 3.084 -1.009) 5.132 14.685 ( -1.716 -2.142 0.344) 2.766 14.747 ( -3.358 -1.491 -0.256) 3.683 14.832 ( 1.836 1.494 -0.018) 2.367 15.162 ( -4.210 -5.417 -1.123) 6.952 15.204 ( -3.512 0.592 1.189) 3.755 15.344 ( 5.646 4.265 0.614) 7.102 15.503 ( 0.231 -0.467 -0.406) 0.660 15.679 ( 3.855 2.030 0.211) 4.362 24.149 ( -1.571 -1.706 -0.127) 2.323 24.192 ( -1.082 1.110 0.400) 1.600 24.277 ( -2.099 -2.692 -0.450) 3.443 24.360 ( 0.760 0.956 -0.035) 1.222 24.471 ( 4.590 2.260 0.129) 5.118 24.694 ( 0.153 2.007 0.208) 2.023 24.708 ( -5.172 -2.610 -0.247) 5.799 24.803 ( -1.663 -5.354 -0.526) 5.631 24.960 ( -1.613 2.156 0.704) 2.783 25.031 ( 4.505 4.872 0.344) 6.644 25.213 ( 2.281 -5.931 -0.640) 6.386 25.302 ( 0.204 5.179 -0.259) 5.189 25.492 ( 2.774 0.991 0.568) 3.000 25.501 ( -1.780 -0.903 0.225) 2.009 25.675 ( 0.384 0.075 -0.097) 0.403 27.098 ( 1.931 1.407 -9.459) 9.756 27.175 ( -0.690 -0.727 9.913) 9.963 27.641 ( -2.728 -1.566 -0.222) 3.154 28.442 ( 0.561 -0.030 0.226) 0.605 28.452 ( 0.759 0.906 -0.985) 1.539 28.555 ( 4.542 2.513 -0.087) 5.191 28.740 ( 1.977 1.130 -2.224) 3.183 28.819 ( -4.904 -2.806 0.229) 5.655 28.905 ( -2.452 -1.425 2.381) 3.703 ======================= Grid point 3 (4/50) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 0.000 0.000 -0.000) 0.000 1.087 ( -0.000 -0.000 -0.000) 0.000 1.128 ( 0.000 0.000 0.000) 0.000 1.308 ( 0.000 0.000 -0.000) 0.000 1.429 ( 0.000 0.000 0.000) 0.000 1.520 ( 0.000 0.000 0.000) 0.000 1.639 ( 0.000 0.000 -0.000) 0.000 1.765 ( -0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.171 ( 0.000 0.000 -0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 -0.000) 0.000 2.492 ( 0.000 -0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.758 ( -0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.931 ( 0.000 0.000 -0.000) 0.000 2.938 ( -0.000 -0.000 0.000) 0.000 3.051 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 -0.000) 0.000 3.184 ( 0.000 0.000 -0.000) 0.000 3.208 ( 0.000 -0.000 0.000) 0.000 3.252 ( -0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.389 ( -0.000 -0.000 -0.000) 0.000 3.594 ( 0.000 0.000 -0.000) 0.000 3.654 ( 0.000 -0.000 0.000) 0.000 3.681 ( -0.000 0.000 -0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.891 ( 0.000 0.000 -0.000) 0.000 4.107 ( 0.000 -0.000 0.000) 0.000 4.285 ( 0.000 0.000 -0.000) 0.000 4.535 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 -0.000) 0.000 4.968 ( 0.000 0.000 -0.000) 0.000 5.100 ( 0.000 0.000 -0.000) 0.000 5.307 ( -0.000 -0.000 0.000) 0.000 5.323 ( 0.000 0.000 -0.000) 0.000 5.404 ( 0.000 0.000 -0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 5.746 ( -0.000 0.000 -0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 5.886 ( 0.000 0.000 0.000) 0.000 5.905 ( 0.000 0.000 -0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.028 ( 0.000 0.000 -0.000) 0.000 6.147 ( -0.000 0.000 -0.000) 0.000 6.170 ( 0.000 -0.000 0.000) 0.000 6.218 ( 0.000 -0.000 0.000) 0.000 6.265 ( -0.000 0.000 0.000) 0.000 6.601 ( 0.000 0.000 0.000) 0.000 6.613 ( -0.000 -0.000 0.000) 0.000 6.758 ( 0.000 0.000 -0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 6.836 ( -0.000 -0.000 -0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 7.133 ( -0.000 -0.000 0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 7.776 ( -0.000 -0.000 -0.000) 0.000 8.006 ( -0.000 0.000 0.000) 0.000 8.474 ( 0.000 0.000 -0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.760 ( 0.000 0.000 0.000) 0.000 8.841 ( 0.000 0.000 -0.000) 0.000 8.867 ( -0.000 -0.000 0.000) 0.000 9.104 ( 0.000 0.000 -0.000) 0.000 9.119 ( -0.000 -0.000 0.000) 0.000 9.140 ( 0.000 0.000 -0.000) 0.000 9.639 ( -0.000 -0.000 -0.000) 0.000 9.756 ( 0.000 0.000 -0.000) 0.000 9.872 ( 0.000 0.000 0.000) 0.000 10.161 ( 0.000 0.000 0.000) 0.000 10.177 ( -0.000 -0.000 -0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 10.801 ( 0.000 0.000 -0.000) 0.000 10.835 ( 0.000 0.000 0.000) 0.000 11.132 ( 0.000 0.000 -0.000) 0.000 11.199 ( 0.000 0.000 0.000) 0.000 11.315 ( 0.000 0.000 -0.000) 0.000 11.402 ( 0.000 0.000 0.000) 0.000 11.600 ( 0.000 0.000 0.000) 0.000 11.648 ( 0.000 0.000 -0.000) 0.000 13.784 ( 0.000 0.000 0.000) 0.000 13.913 ( 0.000 0.000 -0.000) 0.000 13.949 ( 0.000 -0.000 0.000) 0.000 13.989 ( 0.000 0.000 0.000) 0.000 14.109 ( 0.000 0.000 -0.000) 0.000 14.207 ( 0.000 0.000 -0.000) 0.000 14.255 ( 0.000 -0.000 0.000) 0.000 14.426 ( 0.000 0.000 -0.000) 0.000 14.441 ( 0.000 -0.000 0.000) 0.000 14.637 ( 0.000 0.000 0.000) 0.000 14.701 ( -0.813 0.261 -0.073) 0.857 14.701 ( 0.813 -0.261 0.073) 0.857 14.937 ( 0.000 0.000 0.000) 0.000 15.040 ( -0.000 -0.000 -0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 15.458 ( -0.000 -0.000 -0.000) 0.000 15.463 ( 0.000 0.000 0.000) 0.000 15.726 ( 0.000 0.000 -0.000) 0.000 24.125 ( 0.000 0.000 0.000) 0.000 24.193 ( 0.000 0.000 -0.000) 0.000 24.240 ( 0.000 0.000 -0.000) 0.000 24.371 ( 0.000 0.000 -0.000) 0.000 24.573 ( 0.000 0.000 0.000) 0.000 24.599 ( -0.000 -0.000 -0.000) 0.000 24.727 ( 0.000 0.000 0.000) 0.000 24.731 ( 0.000 -0.000 -0.000) 0.000 24.956 ( 0.000 0.000 -0.000) 0.000 25.153 ( 0.000 0.000 0.000) 0.000 25.160 ( -0.000 -0.000 -0.000) 0.000 25.334 ( 0.000 0.000 0.000) 0.000 25.471 ( 0.000 0.000 0.000) 0.000 25.525 ( 0.000 0.000 -0.000) 0.000 25.681 ( 0.000 0.000 -0.000) 0.000 27.121 ( 0.000 0.000 -0.000) 0.000 27.169 ( 0.000 0.000 0.000) 0.000 27.604 ( 0.000 0.000 0.000) 0.000 28.447 ( 0.000 0.000 -0.000) 0.000 28.465 ( 0.000 0.000 0.000) 0.000 28.644 ( -0.000 0.000 0.000) 0.000 28.724 ( 0.000 0.000 -0.000) 0.000 28.774 ( 0.000 0.000 -0.000) 0.000 28.866 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 8 (5/50) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 1.662 13.870 -4.965) 14.825 0.895 ( -1.075 12.270 2.686) 12.606 0.927 ( 17.556 -2.858 0.258) 17.789 1.172 ( 10.627 19.961 1.151) 22.643 1.304 ( -3.355 -3.591 -0.848) 4.987 1.335 ( 1.861 6.608 2.666) 7.365 1.659 ( 0.286 9.749 1.905) 9.938 1.766 ( -0.711 3.861 -0.508) 3.959 1.852 ( 9.272 1.208 -2.872) 9.781 2.170 ( 1.784 6.063 0.521) 6.341 2.250 ( 4.086 1.756 0.944) 4.546 2.425 ( -5.402 -3.945 0.665) 6.723 2.564 ( -0.313 2.670 -0.559) 2.746 2.641 ( 4.186 -2.415 0.462) 4.854 2.763 ( -1.832 3.654 -4.512) 6.088 2.819 ( -1.413 -0.262 -0.580) 1.550 2.860 ( 6.916 4.671 1.340) 8.452 2.926 ( 3.154 0.205 2.929) 4.309 2.954 ( -2.793 3.749 0.332) 4.687 3.015 ( -0.819 1.963 1.065) 2.379 3.126 ( 0.287 -0.793 -0.241) 0.877 3.187 ( 0.751 -2.393 -2.308) 3.408 3.301 ( -1.843 1.880 -0.803) 2.752 3.394 ( 3.685 0.102 2.306) 4.349 3.513 ( -2.836 -1.182 2.578) 4.011 3.522 ( -0.791 -0.497 -0.564) 1.092 3.645 ( 5.123 0.341 -5.445) 7.484 3.696 ( -1.421 4.110 -3.170) 5.382 3.836 ( 0.950 -10.698 0.673) 10.761 3.890 ( -7.981 -4.535 0.681) 9.204 4.139 ( 1.873 1.240 3.747) 4.368 4.301 ( -7.271 10.953 -3.356) 13.569 4.449 ( 14.502 3.646 -2.630) 15.183 4.848 ( 1.620 -4.514 -7.332) 8.761 4.897 ( -6.045 1.184 1.387) 6.315 5.118 ( 4.755 6.930 3.955) 9.289 5.191 ( 3.087 3.173 -3.473) 5.626 5.252 ( 3.883 7.562 5.819) 10.302 5.467 ( 0.508 4.381 3.493) 5.626 5.504 ( -3.533 -5.506 0.966) 6.613 5.692 ( -0.040 -3.105 -0.175) 3.111 5.765 ( -0.870 3.026 0.047) 3.148 5.878 ( 0.196 -1.924 -0.425) 1.980 5.928 ( 2.716 -4.415 0.590) 5.217 6.017 ( -2.177 -2.861 -0.617) 3.648 6.063 ( -6.757 -5.203 0.919) 8.577 6.110 ( -3.545 -3.973 -3.651) 6.456 6.237 ( -9.328 -16.222 0.382) 18.716 6.262 ( -3.583 -8.409 5.266) 10.549 6.333 ( 3.781 6.936 1.759) 8.093 6.417 ( -1.753 -3.102 -0.758) 3.643 6.471 ( 0.825 -0.084 2.014) 2.178 6.577 ( 2.958 3.910 4.539) 6.681 6.660 ( -1.361 -1.292 -2.367) 3.021 6.721 ( 0.827 -1.626 -1.137) 2.149 7.184 ( 3.327 7.285 0.251) 8.013 7.207 ( -6.723 -7.870 0.424) 10.360 7.320 ( -17.907 6.508 -2.378) 19.201 7.383 ( 13.611 -6.883 -1.827) 15.361 7.495 ( -9.928 -1.631 1.336) 10.149 7.576 ( 9.840 -13.395 -0.543) 16.630 8.242 ( 2.396 3.081 0.176) 3.907 8.307 ( -1.682 6.725 0.683) 6.966 8.440 ( 5.092 9.053 -1.184) 10.454 8.497 ( 4.599 8.272 -1.087) 9.527 8.983 ( -4.469 4.072 1.142) 6.153 9.044 ( 11.162 2.573 0.596) 11.470 9.057 ( 0.785 0.814 -0.350) 1.184 9.143 ( 0.713 -4.757 -0.276) 4.818 9.189 ( -3.642 1.716 -0.828) 4.110 9.331 ( -4.897 -7.571 -2.854) 9.458 9.864 ( -0.017 -0.345 7.749) 7.757 10.059 ( -1.636 -2.679 -0.609) 3.198 10.134 ( -1.803 -5.468 0.581) 5.787 10.223 ( -3.173 -2.647 3.795) 5.611 10.674 ( 1.606 3.489 2.474) 4.569 10.761 ( 2.882 2.921 -1.646) 4.421 10.963 ( -2.435 -1.876 -9.427) 9.915 11.133 ( -1.195 0.749 1.717) 2.222 11.236 ( -0.548 -3.363 0.719) 3.482 11.297 ( 2.353 -3.377 1.902) 4.534 11.414 ( -1.841 3.949 -11.871) 12.645 11.619 ( -0.551 -2.739 -3.097) 4.171 11.696 ( -1.465 -2.201 -2.969) 3.976 13.868 ( -2.571 -3.767 2.422) 5.164 13.909 ( -0.132 -2.047 0.139) 2.056 13.951 ( -0.633 -2.074 -1.138) 2.449 14.002 ( -3.466 -0.212 1.268) 3.697 14.090 ( 3.487 -0.630 1.263) 3.761 14.167 ( -1.960 -1.132 1.799) 2.892 14.241 ( 1.037 3.531 -0.440) 3.706 14.306 ( 4.167 4.903 -0.118) 6.435 14.472 ( 0.894 4.034 -1.312) 4.335 14.607 ( 4.059 6.090 3.254) 8.009 14.704 ( -1.822 -2.574 -0.088) 3.154 14.759 ( -2.177 -4.303 3.520) 5.970 14.833 ( -0.015 -0.505 -4.894) 4.920 15.175 ( -3.943 -3.962 -2.347) 6.062 15.236 ( -0.525 -2.476 -0.486) 2.577 15.308 ( 4.455 5.526 3.880) 8.089 15.535 ( 1.423 3.162 2.759) 4.431 15.630 ( 1.483 2.953 1.548) 3.649 24.167 ( -2.122 -1.200 0.110) 2.440 24.191 ( 1.050 -2.049 0.537) 2.365 24.278 ( -2.637 -2.596 1.190) 3.887 24.391 ( 2.501 3.048 -0.493) 3.973 24.429 ( 0.518 2.378 -0.148) 2.438 24.658 ( 0.428 -1.485 -0.014) 1.546 24.742 ( -2.532 -4.588 -0.194) 5.244 24.833 ( -3.290 1.363 -0.244) 3.569 24.933 ( 0.312 -5.721 -0.200) 5.733 25.025 ( 4.149 4.442 2.596) 6.609 25.203 ( -2.520 3.356 -0.023) 4.197 25.328 ( 4.952 2.853 0.991) 5.801 25.466 ( 0.565 2.580 -0.697) 2.731 25.513 ( -0.611 -1.274 0.266) 1.438 25.668 ( -0.311 -0.350 0.126) 0.485 27.086 ( 1.638 2.465 0.155) 2.964 27.178 ( -0.974 -1.261 -3.854) 4.170 27.657 ( -1.732 -3.011 -1.425) 3.755 28.429 ( 0.274 0.610 1.191) 1.366 28.486 ( 2.475 2.736 -2.078) 4.234 28.499 ( 0.529 2.318 -0.364) 2.405 28.730 ( 1.192 2.073 2.217) 3.260 28.847 ( -2.718 -4.731 -2.245) 5.900 28.920 ( -1.395 -2.405 2.426) 3.689 ======================= Grid point 9 (6/50) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -10.072 15.368 -0.296) 18.377 1.103 ( 1.201 3.141 0.923) 3.487 1.178 ( -2.401 -0.702 -7.075) 7.504 1.219 ( 11.929 1.385 2.000) 12.174 1.406 ( 6.687 -1.172 7.766) 10.315 1.465 ( -0.883 6.183 -1.650) 6.460 1.592 ( 0.281 7.041 -4.933) 8.602 1.827 ( 0.474 -9.909 -1.382) 10.016 1.926 ( 2.734 -3.808 0.015) 4.688 2.213 ( -2.201 3.244 -0.890) 4.020 2.338 ( 4.237 -5.924 2.825) 7.812 2.368 ( -0.345 2.493 -0.171) 2.522 2.583 ( -3.127 5.734 0.587) 6.558 2.697 ( 3.837 0.227 0.448) 3.869 2.782 ( -4.096 1.736 -0.594) 4.488 2.857 ( 5.270 4.211 -2.377) 7.152 2.891 ( -3.818 1.747 4.144) 5.899 2.954 ( 0.371 1.257 3.500) 3.737 3.041 ( 5.217 6.701 -0.542) 8.510 3.094 ( 2.691 4.604 -2.079) 5.724 3.160 ( 0.745 0.252 -2.399) 2.525 3.193 ( 5.563 -0.622 1.832) 5.889 3.250 ( -3.588 -0.974 -1.463) 3.995 3.384 ( -3.999 -0.877 0.817) 4.174 3.458 ( -5.752 -0.634 1.429) 5.961 3.561 ( 5.786 0.047 -0.821) 5.844 3.661 ( -3.772 -1.704 -0.583) 4.180 3.708 ( -1.721 0.546 -2.104) 2.772 3.741 ( 0.694 -8.492 0.038) 8.520 3.770 ( 4.092 -5.668 -1.971) 7.263 4.164 ( -0.852 1.140 7.199) 7.338 4.333 ( -1.547 11.265 -9.702) 14.948 4.628 ( -1.483 2.369 -8.590) 9.033 4.827 ( 1.541 -5.439 -6.975) 8.978 4.903 ( 7.710 3.103 8.310) 11.753 5.169 ( -4.889 -3.211 -3.308) 6.720 5.289 ( 5.384 6.311 2.052) 8.546 5.351 ( -2.002 2.604 6.761) 7.517 5.444 ( 0.133 2.596 0.435) 2.636 5.549 ( 3.799 1.104 2.782) 4.836 5.626 ( 0.170 -3.392 1.309) 3.640 5.770 ( 1.307 -3.713 4.154) 5.722 5.806 ( -3.364 -4.731 1.939) 6.120 5.878 ( -1.297 -10.006 -1.161) 10.156 5.895 ( -0.726 -10.252 -0.214) 10.280 5.952 ( -0.700 -0.811 1.879) 2.163 5.968 ( -3.333 -1.527 -1.208) 3.860 6.108 ( -1.313 -7.053 1.557) 7.341 6.196 ( 4.148 7.534 -2.157) 8.867 6.324 ( -4.892 2.361 4.637) 7.142 6.408 ( -7.300 5.253 2.870) 9.441 6.595 ( 3.718 1.099 -4.022) 5.587 6.668 ( 4.506 2.282 -1.318) 5.220 6.712 ( 2.767 8.038 3.206) 9.085 6.821 ( 3.760 14.415 -1.568) 14.980 6.963 ( -9.776 -7.884 -0.698) 12.578 6.988 ( -12.446 3.592 0.841) 12.981 7.233 ( -11.846 -1.346 0.321) 11.926 7.431 ( 8.985 -7.313 -0.025) 11.585 7.589 ( 9.017 -17.037 -1.951) 19.375 7.635 ( 14.558 4.130 -0.220) 15.134 8.074 ( -18.538 -4.922 0.594) 19.189 8.294 ( 8.162 -9.767 0.834) 12.756 8.581 ( 0.014 8.892 -2.727) 9.301 8.708 ( 11.436 7.134 -2.261) 13.667 8.920 ( -7.902 0.160 -1.293) 8.009 9.068 ( 0.469 -2.074 -1.561) 2.638 9.099 ( -0.380 -3.219 -0.309) 3.256 9.137 ( -8.733 7.936 1.401) 11.883 9.172 ( -4.848 5.925 -0.262) 7.660 9.489 ( 20.771 9.184 2.194) 22.816 9.803 ( -5.434 -2.716 6.569) 8.947 9.976 ( -9.370 -1.894 2.257) 9.822 10.062 ( 3.529 -4.637 -0.224) 5.832 10.116 ( 0.464 -10.745 1.205) 10.822 10.762 ( 2.526 4.890 -1.354) 5.668 10.835 ( 2.415 2.245 -4.035) 5.211 10.874 ( -5.118 -0.647 -5.750) 7.725 11.099 ( -1.375 -0.692 0.437) 1.600 11.186 ( 1.319 -6.904 3.200) 7.723 11.294 ( -0.795 -1.094 0.110) 1.357 11.463 ( -0.148 7.414 -6.983) 10.186 11.612 ( 0.598 -0.164 -7.219) 7.245 11.642 ( -1.730 -2.055 -4.317) 5.084 13.788 ( -1.752 -2.604 2.362) 3.928 13.894 ( 0.664 -1.591 0.880) 1.935 13.932 ( 1.207 -3.865 1.288) 4.249 13.963 ( -0.916 0.920 -0.525) 1.400 14.112 ( -1.289 -1.344 1.576) 2.439 14.143 ( 3.325 -3.026 2.121) 4.971 14.307 ( -0.305 6.420 -0.359) 6.437 14.432 ( 3.859 5.488 0.402) 6.721 14.501 ( -3.452 3.459 -0.206) 4.891 14.619 ( 0.029 -4.107 0.207) 4.112 14.673 ( -0.266 -2.083 0.010) 2.100 14.691 ( -0.470 -3.393 1.580) 3.772 14.903 ( 4.269 4.094 -4.102) 7.198 15.080 ( -3.670 -1.471 -2.411) 4.631 15.183 ( -1.350 -2.699 -0.847) 3.135 15.449 ( 3.715 5.573 5.238) 8.503 15.540 ( -4.436 3.490 3.798) 6.803 15.685 ( 3.211 -1.484 3.055) 4.674 24.134 ( -0.901 0.329 0.438) 1.055 24.202 ( 2.052 -1.843 1.065) 2.957 24.209 ( -2.290 -1.356 1.013) 2.848 24.424 ( -2.189 4.558 -0.893) 5.135 24.508 ( 5.410 1.335 -0.328) 5.582 24.619 ( -2.257 -4.639 -0.176) 5.161 24.675 ( -0.044 -4.378 -0.970) 4.484 24.770 ( -1.991 1.753 0.345) 2.675 24.894 ( 1.371 -5.898 0.067) 6.056 25.141 ( 1.533 1.278 2.280) 3.031 25.225 ( 0.371 8.520 1.681) 8.692 25.391 ( -2.326 3.091 1.159) 4.039 25.479 ( -1.154 -1.141 0.029) 1.624 25.507 ( 2.020 0.459 -0.392) 2.109 25.658 ( 0.634 -1.694 0.133) 1.814 27.132 ( 0.150 1.582 -8.810) 8.952 27.156 ( 0.434 -0.894 4.289) 4.403 27.603 ( -1.020 -1.921 -3.011) 3.714 28.441 ( 0.300 0.321 1.171) 1.251 28.508 ( -1.844 3.904 -0.788) 4.389 28.591 ( 5.579 1.296 -1.963) 6.054 28.736 ( -3.475 -4.916 -3.371) 6.900 28.777 ( 0.997 1.978 2.511) 3.348 28.868 ( -1.423 -2.169 4.174) 4.914 ======================= Grid point 10 (7/50) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( -7.183 19.364 2.924) 20.860 1.055 ( -6.865 -5.050 -4.064) 9.442 1.156 ( 0.984 -0.287 -8.616) 8.677 1.209 ( -6.024 -3.960 8.013) 10.779 1.395 ( -3.138 -1.807 3.014) 4.711 1.527 ( -6.622 1.111 -0.553) 6.737 1.715 ( -0.046 -5.721 -1.085) 5.823 1.758 ( 11.708 1.601 -2.672) 12.115 1.854 ( -4.508 -3.911 -0.970) 6.046 2.219 ( -1.386 2.644 2.706) 4.029 2.342 ( 1.139 -5.622 0.624) 5.770 2.392 ( 2.334 -0.405 -1.745) 2.942 2.592 ( -2.240 6.893 0.189) 7.250 2.676 ( -6.427 -2.951 0.109) 7.073 2.779 ( 2.369 2.034 -0.078) 3.123 2.823 ( -5.122 2.019 0.354) 5.517 2.933 ( -4.177 1.169 2.274) 4.898 2.968 ( 3.828 -0.089 1.960) 4.302 3.033 ( -7.142 -0.668 -0.125) 7.174 3.110 ( -5.799 -0.458 -0.068) 5.818 3.134 ( -3.838 -1.940 -0.740) 4.364 3.198 ( -1.014 -2.112 -2.484) 3.414 3.288 ( 2.088 -1.432 0.136) 2.536 3.344 ( 0.513 5.742 1.049) 5.859 3.428 ( 6.697 3.646 -1.347) 7.743 3.568 ( -2.458 -4.104 2.637) 5.463 3.661 ( -1.106 2.723 -4.080) 5.028 3.686 ( 0.317 0.518 1.241) 1.382 3.759 ( 5.923 -2.905 -0.779) 6.643 3.788 ( 6.401 -6.891 -2.217) 9.663 4.155 ( -1.477 1.661 6.019) 6.416 4.420 ( -1.865 7.387 -10.534) 13.000 4.531 ( -8.284 0.670 -2.621) 8.715 4.799 ( 0.730 -2.515 -8.621) 9.010 4.984 ( -1.824 -8.969 2.590) 9.512 5.137 ( 4.819 5.881 4.765) 8.973 5.265 ( -7.064 -0.025 3.171) 7.743 5.393 ( -5.524 -0.648 4.705) 7.285 5.422 ( 1.664 3.363 -1.730) 4.132 5.614 ( -3.212 -6.511 1.781) 7.476 5.652 ( -1.215 -5.138 1.220) 5.419 5.691 ( 8.701 5.851 -0.441) 10.495 5.771 ( 6.276 -2.911 3.182) 7.615 5.867 ( 2.957 -0.298 -3.357) 4.483 5.920 ( 10.243 -5.721 3.603) 12.273 5.942 ( 3.787 0.939 2.261) 4.509 6.033 ( 5.005 -1.396 1.069) 5.304 6.051 ( 1.250 1.390 -0.418) 1.916 6.186 ( -3.994 -0.104 -0.050) 3.996 6.354 ( -4.241 4.646 5.163) 8.138 6.424 ( 4.021 8.311 1.468) 9.349 6.584 ( -3.098 -1.362 -1.672) 3.775 6.656 ( -6.951 -1.536 -1.699) 7.319 6.682 ( -7.773 0.474 -0.790) 7.828 6.834 ( -15.085 1.041 -1.081) 15.160 6.954 ( 12.101 4.110 0.423) 12.787 7.067 ( 7.363 19.084 1.525) 20.512 7.242 ( 7.245 9.459 -0.478) 11.925 7.459 ( 4.122 -10.815 -0.178) 11.575 7.481 ( 4.251 -24.725 -2.611) 25.223 7.638 ( -12.785 -5.612 0.932) 13.994 8.056 ( 12.603 10.880 0.500) 16.657 8.343 ( 9.028 -11.689 0.751) 14.788 8.586 ( -7.363 4.829 -2.332) 9.109 8.696 ( -11.706 -6.071 -3.088) 13.544 8.958 ( 9.214 4.031 -2.424) 10.345 9.054 ( -2.026 0.925 -0.356) 2.255 9.083 ( -2.101 5.397 0.115) 5.792 9.125 ( -4.955 7.311 1.764) 9.006 9.179 ( 0.972 5.131 -1.022) 5.322 9.477 ( -17.379 -12.804 3.822) 21.922 9.812 ( 4.265 2.615 5.273) 7.269 9.953 ( 6.151 6.160 -0.302) 8.710 10.063 ( 2.102 -4.626 -0.457) 5.102 10.141 ( 9.960 -5.443 4.037) 12.046 10.768 ( -5.424 0.416 -2.753) 6.097 10.802 ( -2.941 0.470 -0.644) 3.047 10.900 ( 3.059 2.830 -9.395) 10.278 11.109 ( 2.572 -0.604 1.398) 2.989 11.183 ( 4.277 -3.292 1.913) 5.726 11.266 ( -1.391 0.962 1.656) 2.367 11.504 ( -4.060 3.264 -8.742) 10.176 11.574 ( 0.029 -0.449 -3.245) 3.276 11.655 ( 2.142 0.055 -6.220) 6.579 13.788 ( 3.216 0.212 2.089) 3.841 13.893 ( 0.931 -1.505 1.105) 2.086 13.924 ( 1.307 -1.553 0.285) 2.050 13.981 ( 2.044 -0.301 -0.087) 2.068 14.089 ( -0.516 -0.065 2.276) 2.335 14.156 ( 2.072 -3.476 2.066) 4.544 14.315 ( -4.934 3.435 -0.465) 6.030 14.415 ( -6.651 0.042 0.403) 6.664 14.514 ( -1.254 4.088 -0.767) 4.344 14.622 ( 2.905 -2.185 -0.003) 3.635 14.674 ( 4.471 -1.176 2.425) 5.220 14.688 ( 1.294 -1.021 0.159) 1.655 14.896 ( -5.884 -1.297 -4.041) 7.255 15.099 ( 4.181 2.010 -2.501) 5.270 15.168 ( 1.931 -0.004 -0.793) 2.087 15.441 ( -7.026 0.137 4.581) 8.388 15.545 ( -0.634 5.010 4.388) 6.689 15.687 ( -0.179 -3.517 2.869) 4.542 24.145 ( 0.887 1.592 0.642) 1.932 24.168 ( -0.257 -1.357 0.458) 1.455 24.234 ( 2.633 -0.783 1.536) 3.147 24.422 ( -3.051 4.067 -0.822) 5.151 24.513 ( -3.758 -3.942 -0.607) 5.480 24.617 ( 4.965 -0.753 0.029) 5.022 24.658 ( 2.588 -0.677 -0.712) 2.768 24.811 ( 2.727 2.998 0.050) 4.053 24.865 ( 2.271 -5.416 -0.017) 5.873 25.114 ( -4.633 1.241 2.316) 5.326 25.292 ( -2.939 -1.181 1.566) 3.533 25.344 ( -3.542 6.432 1.589) 7.513 25.479 ( 1.305 0.498 -0.303) 1.429 25.514 ( -0.915 -1.301 -0.600) 1.700 25.660 ( 1.261 -1.431 0.222) 1.920 27.125 ( -1.500 0.548 4.128) 4.426 27.163 ( 0.638 -0.720 -8.934) 8.986 27.603 ( 2.166 -0.073 -2.828) 3.563 28.441 ( -0.393 -0.116 1.169) 1.239 28.506 ( -2.591 3.490 -0.264) 4.355 28.592 ( -3.831 -4.115 -2.078) 5.994 28.736 ( 6.139 0.548 -3.052) 6.878 28.776 ( -2.347 0.146 4.117) 4.741 28.869 ( 2.592 0.142 2.070) 3.320 ======================= Grid point 15 (8/50) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -3.223 -6.447 -4.000) 8.243 1.056 ( 3.223 6.447 -4.000) 8.243 1.130 ( 0.000 -0.000 3.102) 3.102 1.373 ( -1.267 -2.534 10.159) 10.546 1.373 ( 1.267 2.534 10.159) 10.546 1.508 ( -0.000 -0.000 -17.039) 17.039 1.630 ( -2.264 -4.529 -3.155) 5.966 1.630 ( 2.264 4.529 -3.155) 5.966 1.972 ( 0.000 -0.000 -0.965) 0.965 2.237 ( -0.785 -1.570 2.548) 3.094 2.237 ( 0.785 1.570 2.548) 3.094 2.385 ( -0.000 -0.000 -1.997) 1.997 2.684 ( -0.000 -0.000 -0.704) 0.704 2.718 ( -1.280 -2.560 0.349) 2.883 2.718 ( 1.280 2.560 0.349) 2.883 2.898 ( -0.000 -0.000 5.494) 5.494 2.958 ( -0.953 -1.906 0.282) 2.149 2.958 ( 0.953 1.906 0.282) 2.149 3.124 ( -0.000 -0.000 -1.244) 1.244 3.159 ( -0.934 -1.868 -2.405) 3.186 3.159 ( 0.934 1.868 -2.405) 3.186 3.239 ( -1.423 -2.846 3.031) 4.394 3.239 ( 1.423 2.846 3.031) 4.394 3.362 ( -0.000 -0.000 -3.566) 3.566 3.483 ( -0.000 -0.000 2.668) 2.668 3.535 ( -2.198 -4.397 2.870) 5.693 3.535 ( 2.198 4.397 2.870) 5.693 3.706 ( -0.626 -1.252 -3.718) 3.973 3.706 ( 0.626 1.252 -3.718) 3.973 3.714 ( 0.000 0.000 -4.715) 4.715 4.175 ( -0.000 -0.000 8.590) 8.590 4.537 ( -3.386 -6.771 -13.588) 15.554 4.537 ( 3.386 6.771 -13.588) 15.554 4.890 ( -3.214 -6.428 -0.765) 7.227 4.890 ( 3.214 6.428 -0.765) 7.227 5.066 ( -0.000 -0.000 8.294) 8.294 5.404 ( -1.309 -2.618 5.069) 5.854 5.404 ( 1.309 2.618 5.069) 5.854 5.427 ( -0.000 -0.000 -3.001) 3.001 5.597 ( -1.727 -3.455 1.807) 4.264 5.597 ( 1.727 3.455 1.807) 4.264 5.700 ( -0.000 -0.000 0.828) 0.828 5.725 ( -0.878 -1.757 4.625) 5.025 5.725 ( 0.878 1.757 4.625) 5.025 5.808 ( -0.000 -0.000 -5.522) 5.522 5.977 ( -1.663 -3.325 1.409) 3.976 5.977 ( 1.663 3.325 1.409) 3.976 5.985 ( -0.000 0.000 3.650) 3.650 6.330 ( -0.000 -0.000 3.183) 3.183 6.400 ( -1.759 -3.518 4.517) 5.990 6.400 ( 1.759 3.518 4.517) 5.990 6.673 ( -0.000 -0.000 -6.186) 6.186 6.702 ( -1.903 -3.806 -3.112) 5.272 6.702 ( 1.903 3.806 -3.112) 5.272 7.023 ( -0.000 -0.000 1.759) 1.759 7.081 ( -4.862 -9.723 -0.198) 10.873 7.081 ( 4.862 9.723 -0.198) 10.873 7.096 ( -0.000 -0.000 0.034) 0.034 7.251 ( -3.094 -6.189 -0.676) 6.952 7.251 ( 3.094 6.189 -0.676) 6.952 7.867 ( -0.000 -0.000 1.638) 1.638 8.043 ( -3.682 -7.365 0.645) 8.259 8.043 ( 3.682 7.365 0.645) 8.259 8.774 ( -2.789 -5.578 -3.657) 7.229 8.774 ( 2.789 5.578 -3.657) 7.229 8.801 ( -0.000 0.000 -4.450) 4.450 9.056 ( -0.347 -0.694 -1.144) 1.382 9.056 ( 0.347 0.694 -1.144) 1.382 9.127 ( -0.000 -0.000 -0.630) 0.630 9.521 ( -0.000 -0.000 6.041) 6.041 9.622 ( -5.430 -10.861 6.201) 13.634 9.622 ( 5.430 10.861 6.201) 13.634 9.961 ( -0.000 0.000 0.843) 0.843 9.989 ( -0.878 -1.757 -0.544) 2.038 9.989 ( 0.878 1.757 -0.544) 2.038 10.834 ( -0.000 0.000 -6.930) 6.930 10.863 ( -0.816 -1.632 -3.971) 4.370 10.863 ( 0.816 1.632 -3.971) 4.370 11.091 ( -0.882 -1.763 1.558) 2.513 11.091 ( 0.882 1.763 1.558) 2.513 11.291 ( -0.000 -0.000 3.450) 3.450 11.577 ( -0.000 0.000 -8.545) 8.545 11.598 ( -0.954 -1.909 -8.218) 8.491 11.598 ( 0.954 1.909 -8.218) 8.491 13.755 ( -0.000 -0.000 3.219) 3.219 13.883 ( -0.415 -0.830 1.509) 1.772 13.883 ( 0.415 0.830 1.509) 1.772 13.975 ( -0.000 -0.000 -1.241) 1.241 14.102 ( -0.464 -0.928 2.867) 3.049 14.102 ( 0.464 0.928 2.867) 3.049 14.442 ( -2.452 -4.903 0.385) 5.495 14.442 ( 2.452 4.903 0.385) 5.495 14.577 ( -0.659 -1.318 -1.165) 1.878 14.577 ( 0.659 1.318 -1.165) 1.878 14.585 ( 0.000 0.000 3.702) 3.702 14.659 ( 0.000 -0.000 -0.987) 0.987 14.943 ( -0.000 -0.000 -5.384) 5.384 15.114 ( -1.550 -3.101 -1.943) 3.974 15.114 ( 1.550 3.101 -1.943) 3.974 15.515 ( -0.000 -0.000 7.161) 7.161 15.622 ( -1.983 -3.967 4.811) 6.543 15.622 ( 1.983 3.967 4.811) 6.543 24.156 ( -0.621 -1.242 1.013) 1.718 24.156 ( 0.621 1.242 1.013) 1.718 24.204 ( 0.000 -0.000 1.306) 1.306 24.507 ( -0.000 -0.000 -0.573) 0.573 24.532 ( -1.392 -2.785 -0.784) 3.211 24.532 ( 1.392 2.785 -0.784) 3.211 24.621 ( -0.000 -0.000 -0.765) 0.765 24.808 ( -0.864 -1.728 0.244) 1.947 24.808 ( 0.864 1.728 0.244) 1.947 25.157 ( -0.000 -0.000 2.514) 2.514 25.369 ( -1.986 -3.972 2.807) 5.254 25.369 ( 1.986 3.972 2.807) 5.254 25.496 ( -0.860 -1.720 -0.682) 2.040 25.496 ( 0.860 1.720 -0.682) 2.040 25.631 ( -0.000 -0.000 -0.066) 0.066 27.148 ( -0.170 -0.340 -3.179) 3.202 27.148 ( 0.170 0.340 -3.179) 3.202 27.581 ( 0.000 -0.000 -4.368) 4.368 28.446 ( -0.000 -0.000 1.695) 1.695 28.569 ( -0.000 -0.000 0.472) 0.472 28.633 ( -1.938 -3.876 -3.773) 5.746 28.633 ( 1.938 3.876 -3.773) 5.746 28.822 ( -1.078 -2.156 3.997) 4.667 28.822 ( 1.078 2.156 3.997) 4.667 ======================= Grid point 43 (9/50) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 0.000 -0.000 25.846) 25.846 0.542 ( 0.000 0.000 25.846) 25.846 0.835 ( 0.000 -0.000 -3.349) 3.349 0.835 ( 0.000 0.000 -3.349) 3.349 1.238 ( 0.000 0.000 60.931) 60.931 1.321 ( 0.000 0.000 39.897) 39.897 1.897 ( 0.000 -0.000 5.118) 5.118 1.897 ( 0.000 0.000 5.118) 5.118 2.038 ( 0.000 0.000 31.653) 31.653 2.108 ( 0.000 -0.000 6.216) 6.216 2.108 ( 0.000 0.000 6.216) 6.216 2.591 ( 0.000 0.000 -3.868) 3.868 2.591 ( 0.000 -0.000 -3.868) 3.868 2.673 ( 0.000 0.000 3.023) 3.023 2.733 ( 0.000 0.000 7.215) 7.215 2.774 ( -0.000 -0.000 12.759) 12.759 2.774 ( 0.000 0.000 12.759) 12.759 2.905 ( -0.000 -0.000 5.041) 5.041 2.905 ( 0.000 -0.000 5.041) 5.041 3.172 ( 0.000 0.000 -1.314) 1.314 3.193 ( 0.000 0.000 -0.763) 0.763 3.258 ( 0.000 -0.000 2.255) 2.255 3.258 ( 0.000 0.000 2.255) 2.255 3.396 ( 0.000 -0.000 3.095) 3.095 3.557 ( -0.000 -0.000 6.852) 6.852 3.557 ( -0.000 0.000 6.852) 6.852 3.709 ( 0.000 0.000 2.942) 2.942 3.747 ( 0.000 0.000 3.323) 3.323 3.876 ( 0.000 0.000 -3.907) 3.907 3.876 ( 0.000 0.000 -3.907) 3.907 4.190 ( 0.000 -0.000 1.899) 1.899 4.190 ( 0.000 0.000 1.899) 1.899 4.200 ( 0.000 0.000 10.717) 10.717 4.848 ( 0.000 0.000 -5.812) 5.812 4.848 ( 0.000 0.000 -5.812) 5.812 5.102 ( 0.000 -0.000 2.425) 2.425 5.102 ( 0.000 -0.000 2.425) 2.425 5.403 ( 0.000 -0.000 1.632) 1.632 5.403 ( 0.000 0.000 1.632) 1.632 5.434 ( 0.000 0.000 -20.582) 20.582 5.724 ( -0.000 -0.000 1.537) 1.537 5.724 ( 0.000 0.000 1.537) 1.537 5.805 ( 0.000 0.000 -0.954) 0.954 6.048 ( 0.000 -0.000 2.163) 2.163 6.048 ( 0.000 0.000 2.163) 2.163 6.065 ( 0.000 0.000 -12.035) 12.035 6.143 ( 0.000 -0.000 1.829) 1.829 6.143 ( 0.000 0.000 1.829) 1.829 6.310 ( -0.000 0.000 7.798) 7.798 6.527 ( 0.000 -0.000 -14.180) 14.180 6.652 ( 0.000 -0.000 -4.898) 4.898 6.742 ( 0.000 -0.000 -0.232) 0.232 6.742 ( 0.000 0.000 -0.232) 0.232 6.845 ( 0.000 -0.000 0.604) 0.604 6.845 ( 0.000 0.000 0.604) 0.604 6.952 ( 0.000 0.000 0.243) 0.243 7.400 ( 0.000 0.000 -4.275) 4.275 7.507 ( 0.000 -0.000 -4.031) 4.031 7.663 ( 0.000 0.000 8.188) 8.188 7.718 ( 0.000 -0.000 0.871) 0.871 7.718 ( 0.000 0.000 0.871) 0.871 7.745 ( 0.000 -0.000 1.007) 1.007 7.745 ( 0.000 0.000 1.007) 1.007 8.239 ( -0.000 0.000 3.485) 3.485 8.275 ( 0.000 -0.000 7.007) 7.007 9.043 ( -0.000 -0.000 0.824) 0.824 9.043 ( 0.000 0.000 0.824) 0.824 9.169 ( 0.000 -0.000 -0.568) 0.568 9.169 ( 0.000 0.000 -0.568) 0.568 9.178 ( 0.000 -0.000 0.063) 0.063 9.178 ( 0.000 0.000 0.063) 0.063 10.128 ( 0.000 0.000 2.309) 2.309 10.128 ( 0.000 0.000 2.309) 2.309 10.313 ( 0.000 0.000 3.776) 3.776 10.353 ( 0.000 0.000 5.716) 5.716 10.615 ( 0.000 -0.000 -1.073) 1.073 10.615 ( 0.000 0.000 -1.073) 1.073 10.996 ( 0.000 -0.000 -7.375) 7.375 11.137 ( 0.000 0.000 1.167) 1.167 11.137 ( 0.000 0.000 1.167) 1.167 11.257 ( 0.000 -0.000 0.354) 0.354 11.257 ( -0.000 0.000 0.354) 0.354 11.644 ( -0.000 0.000 -4.835) 4.835 11.713 ( 0.000 0.000 -5.514) 5.514 13.884 ( 0.000 -0.000 -5.719) 5.719 13.884 ( 0.000 0.000 -5.719) 5.719 14.055 ( 0.000 -0.000 -2.112) 2.112 14.055 ( 0.000 0.000 -2.112) 2.112 14.090 ( 0.000 0.000 1.179) 1.179 14.147 ( 0.000 -0.000 0.666) 0.666 14.204 ( 0.000 -0.000 -0.613) 0.613 14.204 ( 0.000 0.000 -0.613) 0.613 14.373 ( 0.000 0.000 -0.316) 0.316 14.373 ( 0.000 0.000 -0.316) 0.316 14.753 ( 0.000 0.000 -2.608) 2.608 14.815 ( 0.000 0.000 -1.782) 1.782 14.873 ( 0.000 -0.000 -8.389) 8.389 15.286 ( 0.000 -0.000 7.518) 7.518 15.312 ( 0.000 -0.000 -4.813) 4.813 15.312 ( 0.000 0.000 -4.813) 4.813 15.335 ( 0.000 -0.000 -4.030) 4.030 15.335 ( 0.000 -0.000 -4.030) 4.030 24.265 ( 0.000 0.000 -0.069) 0.069 24.265 ( 0.000 0.000 -0.069) 0.069 24.270 ( 0.000 -0.000 0.015) 0.015 24.270 ( 0.000 0.000 0.015) 0.015 24.593 ( 0.000 -0.000 1.651) 1.651 24.664 ( -0.000 -0.000 0.085) 0.085 24.664 ( 0.000 -0.000 0.085) 0.085 24.865 ( 0.000 0.000 0.357) 0.357 24.984 ( 0.000 -0.000 -1.030) 1.030 24.984 ( 0.000 -0.000 -1.030) 1.030 25.160 ( 0.000 0.000 -2.050) 2.050 25.160 ( 0.000 0.000 -2.050) 2.050 25.416 ( 0.000 -0.000 1.410) 1.410 25.416 ( 0.000 0.000 1.410) 1.410 25.568 ( 0.000 0.000 3.963) 3.963 25.711 ( 0.000 0.000 3.912) 3.912 27.566 ( 0.000 0.000 -5.317) 5.317 27.672 ( 0.000 0.000 -5.605) 5.605 28.482 ( -0.000 -0.000 6.034) 6.034 28.482 ( -0.000 0.000 6.034) 6.034 28.520 ( 0.000 0.000 6.319) 6.319 28.520 ( 0.000 0.000 6.319) 6.319 28.961 ( 0.000 -0.000 1.305) 1.305 30.624 ( 0.000 0.000 0.211) 0.211 ======================= Grid point 44 (10/50) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -4.284 3.878 -3.423) 6.716 0.902 ( 20.397 13.407 15.690) 29.017 0.963 ( 19.091 10.155 13.562) 25.525 1.150 ( 17.175 1.784 1.264) 17.314 1.269 ( -4.538 1.916 29.199) 29.611 1.499 ( 22.149 13.934 41.712) 49.241 1.808 ( -5.980 -4.380 18.667) 20.085 1.864 ( -1.342 -4.346 8.668) 9.789 1.941 ( -1.246 5.539 10.427) 11.872 2.121 ( 3.265 -0.164 6.875) 7.613 2.386 ( 10.640 3.676 9.957) 15.029 2.546 ( -3.759 -2.959 2.026) 5.195 2.604 ( -0.004 -0.182 2.235) 2.242 2.654 ( -1.224 0.987 3.639) 3.964 2.761 ( 1.759 -1.652 7.758) 8.125 2.797 ( 0.932 0.980 2.033) 2.442 2.845 ( 5.198 6.367 7.141) 10.888 2.893 ( 3.317 -0.893 4.473) 5.640 2.984 ( 3.595 3.464 5.145) 7.169 3.102 ( -3.323 -0.595 2.962) 4.491 3.174 ( -0.668 -0.944 1.222) 1.682 3.214 ( -1.518 -1.306 3.577) 4.099 3.353 ( -1.323 -2.422 5.525) 6.176 3.391 ( 4.357 3.227 2.419) 5.937 3.528 ( -2.272 1.101 1.709) 3.049 3.582 ( 0.227 2.022 3.393) 3.956 3.672 ( -0.583 -4.433 4.282) 6.191 3.710 ( -0.409 -4.578 4.111) 6.167 3.891 ( 1.739 -0.610 -1.695) 2.504 3.932 ( 2.840 0.938 -6.513) 7.167 4.083 ( -7.393 1.631 0.168) 7.573 4.219 ( 2.599 1.123 7.937) 8.427 4.354 ( 9.083 2.429 3.354) 9.983 4.845 ( 3.784 -3.926 -4.794) 7.261 4.862 ( -3.163 3.632 -6.101) 7.773 5.046 ( -1.062 1.778 -0.599) 2.156 5.136 ( 2.200 -5.696 3.506) 7.041 5.351 ( 1.525 1.133 8.072) 8.292 5.411 ( -0.614 0.046 -14.903) 14.915 5.464 ( -0.307 7.057 3.667) 7.959 5.694 ( 0.147 0.113 -2.751) 2.758 5.707 ( -1.097 -1.288 -0.512) 1.767 5.845 ( 2.073 1.160 -0.437) 2.416 5.980 ( -3.171 -3.043 -7.513) 8.703 6.028 ( -2.337 0.714 3.486) 4.257 6.086 ( 0.740 -5.398 -1.318) 5.605 6.110 ( 1.793 3.668 -1.509) 4.353 6.261 ( -3.068 -1.797 7.139) 7.976 6.319 ( 2.617 6.429 -4.847) 8.466 6.494 ( -5.733 -3.554 2.009) 7.038 6.539 ( -13.556 -9.455 -0.573) 16.537 6.575 ( -6.032 3.150 -7.329) 10.001 6.662 ( -9.367 -0.534 -0.357) 9.389 6.746 ( -1.715 -3.932 3.426) 5.490 6.779 ( -5.269 -3.571 1.967) 6.662 7.042 ( 7.266 4.315 0.460) 8.463 7.280 ( -7.357 -10.547 -1.539) 12.951 7.422 ( -6.641 -1.584 3.577) 7.708 7.459 ( -1.794 -5.118 4.488) 7.040 7.540 ( -5.544 -5.071 1.274) 7.621 7.724 ( -0.161 9.214 -3.304) 9.790 8.013 ( 15.142 2.495 0.087) 15.346 8.153 ( 13.155 11.308 -0.374) 17.352 8.327 ( 6.896 3.264 2.798) 8.126 8.334 ( 8.800 4.280 2.608) 10.127 9.019 ( -6.185 -2.380 -1.838) 6.877 9.032 ( -2.459 -1.853 0.059) 3.079 9.072 ( -2.948 -2.431 0.357) 3.838 9.168 ( -1.608 -1.267 -1.138) 2.342 9.220 ( 1.552 -0.969 -0.734) 1.971 9.253 ( 4.003 2.862 -5.271) 7.211 10.033 ( -9.853 2.194 9.245) 13.688 10.109 ( -1.410 -0.274 1.799) 2.302 10.241 ( -6.640 -3.626 2.535) 7.979 10.302 ( -3.944 -0.621 2.536) 4.730 10.585 ( 1.013 2.753 -2.966) 4.172 10.684 ( 4.783 0.922 -0.839) 4.943 10.970 ( 4.141 -6.474 -1.791) 7.891 11.130 ( -1.840 2.906 -0.047) 3.440 11.217 ( 2.155 -0.117 -0.920) 2.346 11.250 ( -0.940 -0.002 -1.227) 1.546 11.448 ( 12.846 -5.607 -3.236) 14.385 11.631 ( -0.562 -2.423 -2.485) 3.516 11.705 ( 1.080 -1.448 -2.430) 3.028 13.853 ( -1.768 0.141 -5.278) 5.568 13.895 ( 0.196 -0.070 -4.615) 4.620 13.995 ( -3.312 1.127 -0.714) 3.571 14.034 ( -1.111 -3.657 0.694) 3.885 14.082 ( -2.075 0.110 0.604) 2.164 14.171 ( 2.973 3.460 -1.594) 4.833 14.176 ( -0.788 0.488 -1.537) 1.795 14.235 ( 0.324 0.394 -0.745) 0.903 14.385 ( 2.939 -0.594 -1.685) 3.440 14.459 ( 3.747 6.442 -1.000) 7.519 14.735 ( -2.297 -1.174 -1.104) 2.805 14.770 ( -4.573 -2.106 -1.676) 5.306 14.958 ( 2.766 1.882 -13.038) 13.461 15.055 ( -2.614 -2.269 6.253) 7.147 15.217 ( -2.512 -5.773 -3.749) 7.327 15.298 ( -3.268 1.739 -0.894) 3.808 15.402 ( 1.069 4.037 -5.655) 7.030 15.510 ( 5.493 3.993 -5.239) 8.577 24.205 ( -2.523 -1.793 0.098) 3.096 24.221 ( -1.984 0.218 0.379) 2.031 24.322 ( 2.518 -0.386 -0.018) 2.547 24.327 ( 1.439 1.896 -0.060) 2.381 24.457 ( -5.477 -1.313 3.276) 6.516 24.674 ( 0.477 1.073 0.032) 1.175 24.772 ( 5.533 3.021 0.263) 6.309 24.795 ( -3.093 -2.519 -1.390) 4.224 24.964 ( -1.527 0.395 -1.738) 2.347 25.010 ( -3.679 0.139 -1.084) 3.838 25.180 ( 4.158 -2.941 -1.448) 5.295 25.221 ( 1.849 5.472 -1.353) 5.932 25.452 ( 2.687 0.700 1.274) 3.055 25.564 ( -0.550 -0.013 3.651) 3.692 25.705 ( -0.516 -0.179 3.397) 3.441 26.032 ( 35.318 17.486 -31.035) 50.163 27.444 ( -8.112 -5.664 -2.825) 10.289 27.616 ( -4.180 -3.068 -7.383) 9.022 28.488 ( 1.791 -0.236 6.047) 6.311 28.519 ( 1.738 -1.911 6.219) 6.734 28.536 ( 2.777 3.358 7.051) 8.289 28.618 ( 5.363 5.723 5.672) 9.679 28.919 ( -3.426 -1.958 1.409) 4.190 29.967 ( -33.801 -19.482 37.235) 53.931 ======================= Grid point 45 (11/50) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -7.045 -0.202 3.647) 7.936 1.225 ( 4.190 2.619 15.094) 15.882 1.250 ( 1.023 3.644 13.350) 13.876 1.304 ( 10.665 3.176 -0.993) 11.172 1.444 ( 10.234 7.904 13.075) 18.389 1.658 ( 1.539 -4.975 29.988) 30.437 1.721 ( 1.834 -2.735 9.901) 10.434 1.998 ( 4.493 3.500 9.292) 10.899 2.147 ( -1.461 0.524 10.763) 10.874 2.206 ( 14.170 10.739 18.161) 25.415 2.423 ( -2.678 0.230 8.013) 8.452 2.522 ( 2.524 -1.874 9.177) 9.700 2.613 ( 0.617 1.406 5.686) 5.890 2.679 ( 2.774 4.372 4.735) 7.017 2.717 ( 0.795 -2.185 -0.892) 2.490 2.853 ( 2.544 -0.355 4.459) 5.146 2.935 ( -3.085 3.119 4.317) 6.155 3.013 ( 6.942 4.467 7.201) 10.954 3.050 ( -2.059 1.745 4.245) 5.030 3.096 ( 5.195 0.340 7.025) 8.744 3.150 ( 1.267 -1.129 5.823) 6.065 3.217 ( 3.127 0.044 0.570) 3.178 3.302 ( -1.568 -2.472 5.411) 6.152 3.435 ( -4.886 1.211 1.100) 5.153 3.519 ( 0.884 0.705 0.108) 1.136 3.571 ( -3.997 0.456 4.516) 6.048 3.613 ( -1.848 -3.264 -3.242) 4.958 3.684 ( 4.849 -4.414 7.202) 9.740 3.900 ( 0.943 -5.568 -1.945) 5.972 3.962 ( 0.249 -1.351 5.378) 5.551 4.002 ( -4.078 6.942 -5.299) 9.638 4.301 ( 5.598 -0.099 4.566) 7.225 4.505 ( 7.198 -1.788 1.802) 7.633 4.796 ( -2.594 -3.350 -8.062) 9.108 4.932 ( 5.506 2.242 -3.080) 6.696 5.064 ( -1.691 2.415 -1.111) 3.151 5.147 ( 3.129 1.525 -0.578) 3.528 5.381 ( 0.391 1.486 -3.958) 4.246 5.448 ( 1.018 2.019 4.207) 4.776 5.567 ( 3.876 6.263 2.458) 7.765 5.654 ( -1.568 0.141 -2.641) 3.075 5.763 ( 4.167 1.327 -3.564) 5.641 5.828 ( -2.962 -2.474 -5.013) 6.327 5.866 ( -6.729 0.008 -4.667) 8.189 6.000 ( -0.893 -1.095 4.785) 4.989 6.003 ( -3.098 -5.851 -2.025) 6.924 6.103 ( -9.070 2.126 -0.060) 9.316 6.186 ( -4.615 -4.528 0.607) 6.493 6.209 ( -8.703 2.399 -2.216) 9.295 6.274 ( -6.284 -7.004 0.594) 9.428 6.461 ( -6.458 1.924 -0.036) 6.738 6.534 ( 0.848 7.679 -0.179) 7.728 6.613 ( 2.511 0.376 1.526) 2.962 6.685 ( 4.490 0.082 4.440) 6.315 6.746 ( 3.367 -3.586 5.350) 7.267 7.021 ( -8.063 -8.887 0.638) 12.016 7.142 ( -9.475 -4.745 3.079) 11.035 7.295 ( 2.383 1.995 3.755) 4.874 7.422 ( 1.194 0.669 0.466) 1.446 7.527 ( 3.570 0.768 -0.621) 3.704 7.819 ( 1.059 6.071 -4.148) 7.429 8.171 ( -7.976 -5.094 -1.018) 9.518 8.303 ( 9.809 2.162 -1.172) 10.113 8.469 ( 6.053 0.573 0.857) 6.140 8.578 ( 13.080 4.847 2.398) 14.154 8.899 ( -7.465 -1.886 0.367) 7.708 9.038 ( -3.714 -1.320 -0.887) 4.040 9.072 ( 1.696 0.545 0.118) 1.785 9.153 ( 4.481 6.545 -2.329) 8.267 9.197 ( 0.765 -3.312 -0.955) 3.531 9.249 ( 1.123 -1.229 -3.548) 3.919 9.869 ( -11.482 1.820 0.650) 11.643 10.028 ( -8.447 -4.227 -0.379) 9.453 10.134 ( 0.302 0.994 2.879) 3.061 10.242 ( -3.640 0.568 -1.038) 3.827 10.675 ( 4.967 2.234 0.096) 5.447 10.744 ( 2.238 -0.607 -1.873) 2.981 10.966 ( 3.176 -8.319 0.142) 8.905 11.098 ( -3.230 -0.694 -2.068) 3.897 11.226 ( -1.032 2.199 -2.903) 3.785 11.256 ( -0.938 2.164 1.212) 2.652 11.512 ( 6.576 -10.571 3.986) 13.072 11.586 ( 1.397 -5.283 0.880) 5.535 11.738 ( 4.452 -3.028 5.094) 7.412 13.831 ( -2.425 1.952 -3.026) 4.342 13.885 ( -0.902 -0.228 -2.800) 2.951 13.962 ( -2.358 -2.390 1.564) 3.704 14.009 ( 1.454 2.361 -4.030) 4.892 14.039 ( -3.766 1.698 0.033) 4.131 14.174 ( -1.126 2.972 -1.226) 3.406 14.229 ( 1.573 -1.831 -1.927) 3.088 14.294 ( 4.265 4.356 -2.758) 6.691 14.429 ( 2.070 -1.407 -2.617) 3.621 14.593 ( 2.761 5.683 -4.787) 7.927 14.661 ( -3.584 -2.013 -2.376) 4.748 14.690 ( -1.650 -1.466 -2.452) 3.299 14.893 ( 0.627 -3.271 0.161) 3.335 15.111 ( -2.412 -6.880 -3.698) 8.175 15.174 ( 2.697 2.007 -6.552) 7.364 15.280 ( -0.141 6.058 -1.237) 6.185 15.425 ( -2.778 3.217 -6.399) 7.682 15.619 ( 2.080 4.701 -5.653) 7.641 24.152 ( -1.718 -1.137 0.406) 2.100 24.206 ( -1.112 2.062 0.964) 2.534 24.284 ( -3.685 -1.054 1.141) 3.999 24.360 ( 1.597 -0.379 -0.029) 1.641 24.472 ( 4.309 1.606 0.032) 4.598 24.685 ( -4.197 -1.159 -1.759) 4.696 24.702 ( -0.207 0.197 0.282) 0.401 24.797 ( -1.399 -5.164 0.016) 5.350 24.944 ( -1.661 1.205 -1.944) 2.827 25.053 ( 2.889 8.878 1.558) 9.465 25.207 ( 2.808 -4.550 0.041) 5.346 25.299 ( 0.921 5.230 -0.004) 5.311 25.506 ( 2.325 0.129 0.784) 2.457 25.537 ( -2.249 -0.283 3.095) 3.836 25.698 ( -0.096 0.066 2.351) 2.354 26.621 ( 19.978 8.176 -25.598) 33.485 27.244 ( -7.722 -6.702 -5.374) 11.551 27.498 ( -4.022 -4.448 -11.047) 12.570 28.523 ( 2.387 -1.676 7.779) 8.308 28.543 ( 2.473 0.539 5.196) 5.780 28.623 ( 2.426 3.842 7.344) 8.636 28.757 ( 2.199 1.576 5.555) 6.179 28.849 ( 0.500 1.726 6.176) 6.432 29.403 ( -17.680 -9.549 30.891) 36.851 ======================= Grid point 46 (12/50) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -0.662 4.189 5.480) 6.930 1.249 ( -0.994 0.028 12.997) 13.035 1.267 ( 1.438 -1.557 8.126) 8.398 1.420 ( 0.930 1.459 1.565) 2.333 1.525 ( -2.760 3.334 9.749) 10.667 1.659 ( 3.794 -9.089 18.747) 21.176 1.887 ( 5.382 2.667 21.040) 21.881 1.952 ( -5.560 -5.812 14.187) 16.308 2.169 ( 2.136 7.465 10.448) 13.017 2.269 ( 1.820 -4.195 10.157) 11.138 2.445 ( -0.113 -2.750 7.277) 7.780 2.522 ( 1.736 -1.766 5.621) 6.142 2.580 ( -6.583 3.357 10.246) 12.633 2.744 ( 0.773 1.050 3.837) 4.053 2.800 ( -3.857 2.605 5.090) 6.898 2.869 ( 2.523 0.906 9.183) 9.566 2.952 ( 2.337 1.457 2.533) 3.742 2.987 ( -5.325 1.688 5.516) 7.851 3.130 ( 0.892 -0.663 6.265) 6.363 3.171 ( 0.967 -1.598 4.928) 5.271 3.223 ( 3.087 -1.838 5.474) 6.548 3.248 ( -0.654 0.326 4.000) 4.066 3.284 ( -0.941 3.653 2.632) 4.600 3.344 ( -1.113 -2.010 1.163) 2.575 3.427 ( 2.110 -1.552 3.798) 4.614 3.570 ( -1.233 1.267 -2.018) 2.683 3.640 ( -3.696 -4.029 -0.247) 5.473 3.664 ( 4.446 -0.308 0.672) 4.507 3.859 ( 1.376 1.782 0.561) 2.320 3.948 ( -0.676 -3.408 7.904) 8.634 4.041 ( 0.638 3.488 -2.151) 4.147 4.366 ( 3.451 -4.679 4.126) 7.129 4.559 ( 3.096 -4.792 -3.455) 6.670 4.698 ( -4.109 -3.432 -5.177) 7.447 5.052 ( 1.925 -0.588 -0.877) 2.196 5.081 ( 4.703 4.709 -4.454) 8.008 5.206 ( -0.846 4.072 -4.925) 6.446 5.361 ( -6.556 -3.188 1.974) 7.553 5.456 ( 2.502 3.613 1.652) 4.695 5.612 ( -0.348 -0.702 -0.080) 0.788 5.682 ( -3.386 0.541 -6.396) 7.257 5.749 ( -8.365 0.793 0.902) 8.451 5.805 ( 0.806 0.210 -2.679) 2.805 5.827 ( 4.545 3.007 -1.029) 5.546 5.952 ( -1.958 0.507 -1.202) 2.353 5.966 ( -1.012 3.335 0.040) 3.486 6.029 ( -4.112 3.269 0.609) 5.288 6.088 ( 4.251 3.846 -1.613) 5.955 6.169 ( 2.032 -6.348 -0.370) 6.675 6.211 ( 7.370 0.185 1.100) 7.454 6.325 ( -8.383 2.912 2.312) 9.171 6.590 ( 0.563 0.339 -1.556) 1.689 6.686 ( 0.487 -1.105 6.371) 6.484 6.708 ( -1.631 -2.716 -2.868) 4.273 6.874 ( -12.249 -6.564 3.864) 14.424 6.904 ( 9.465 5.968 4.827) 12.186 6.997 ( 5.720 4.816 6.140) 9.675 7.169 ( -3.036 -0.541 3.002) 4.304 7.549 ( -0.708 -0.963 -1.963) 2.298 7.694 ( -2.041 -0.086 -0.234) 2.056 7.772 ( 3.549 -0.253 -0.631) 3.614 7.971 ( 0.682 -1.865 -3.563) 4.079 8.451 ( 0.659 1.301 -2.044) 2.511 8.527 ( 1.998 -3.322 -0.151) 3.880 8.780 ( -5.427 -0.112 1.927) 5.760 8.856 ( 5.210 -0.047 1.511) 5.425 8.879 ( -0.856 -0.556 1.131) 1.523 9.106 ( 1.412 -0.875 0.152) 1.668 9.126 ( -0.377 -1.944 0.509) 2.045 9.134 ( -0.077 0.425 -0.070) 0.437 9.552 ( 5.795 8.902 -7.792) 13.174 9.640 ( -9.930 -1.698 -9.949) 14.158 9.894 ( -0.597 -0.887 2.675) 2.881 10.178 ( -2.766 -0.299 1.290) 3.067 10.196 ( 2.288 3.877 1.289) 4.683 10.749 ( 1.297 -2.163 -2.653) 3.660 10.775 ( 3.466 -1.148 0.040) 3.652 10.897 ( -1.280 -6.568 3.031) 7.346 11.085 ( 1.134 1.854 -4.254) 4.777 11.188 ( -4.330 3.523 -0.541) 5.608 11.285 ( 1.222 1.862 -0.712) 2.338 11.495 ( 4.540 -10.945 6.229) 13.387 11.605 ( 5.865 -5.326 1.865) 8.139 11.761 ( 2.084 -5.063 8.731) 10.306 13.812 ( -1.579 2.962 1.476) 3.667 13.871 ( -0.319 -0.298 -3.727) 3.753 13.925 ( -1.137 -0.370 -2.352) 2.638 14.004 ( -1.575 2.853 1.551) 3.609 14.058 ( 0.674 2.005 -4.962) 5.394 14.183 ( -1.729 2.721 -2.018) 3.803 14.231 ( 0.659 -1.488 -1.181) 2.011 14.388 ( -0.055 0.087 -3.723) 3.724 14.406 ( -0.469 -0.120 -3.390) 3.424 14.610 ( -0.032 -0.482 -2.836) 2.877 14.637 ( 0.235 1.543 -4.707) 4.959 14.680 ( 0.234 -0.011 -2.146) 2.159 14.942 ( 2.025 -4.716 -1.370) 5.312 15.017 ( 2.830 -1.872 -2.803) 4.401 15.173 ( 0.276 -1.765 -1.249) 2.179 15.355 ( -5.936 3.154 -7.855) 10.339 15.396 ( -0.521 6.978 -5.270) 8.760 15.661 ( -1.939 3.054 -5.930) 6.946 24.132 ( -0.171 0.640 0.657) 0.933 24.206 ( -1.197 0.053 1.339) 1.797 24.246 ( -0.450 2.723 0.600) 2.825 24.373 ( 1.002 -1.536 0.142) 1.839 24.566 ( -1.452 -1.235 -0.756) 2.050 24.586 ( 2.083 0.390 -1.229) 2.450 24.725 ( 0.457 -3.408 0.023) 3.439 24.738 ( -0.212 3.046 0.442) 3.086 24.930 ( -0.480 0.060 -2.108) 2.162 25.166 ( -2.596 -2.899 1.148) 4.057 25.178 ( 0.348 6.706 1.565) 6.895 25.349 ( 0.155 1.254 1.750) 2.158 25.487 ( -0.279 -0.379 1.494) 1.566 25.533 ( -0.413 -0.480 0.745) 0.978 25.700 ( -0.109 0.387 1.953) 1.994 26.925 ( 6.116 0.672 -14.953) 16.169 27.042 ( -4.022 -5.418 -12.588) 14.282 27.440 ( 1.823 -1.828 -12.387) 12.653 28.534 ( 1.578 -2.810 8.344) 8.944 28.587 ( -0.239 1.762 6.667) 6.900 28.670 ( -1.588 -0.258 4.160) 4.460 28.716 ( 1.263 -0.274 1.922) 2.316 28.996 ( 1.417 2.675 19.238) 19.474 29.124 ( -2.819 -0.156 19.498) 19.701 ======================= Grid point 48 (13/50) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 3.117 8.335 2.907) 9.361 1.190 ( -0.631 -10.347 7.224) 12.635 1.256 ( -4.446 -3.343 15.795) 16.746 1.373 ( -8.541 4.443 8.584) 12.899 1.484 ( -14.340 -10.617 13.332) 22.273 1.567 ( 6.682 -1.310 11.966) 13.767 1.693 ( -6.047 2.466 20.841) 21.840 2.004 ( -7.289 -3.649 16.591) 18.486 2.193 ( -0.002 -12.776 12.398) 17.803 2.251 ( -3.313 4.435 9.965) 11.399 2.428 ( -0.890 0.819 11.633) 11.696 2.490 ( -5.097 -0.459 10.854) 12.000 2.536 ( 1.539 1.553 1.634) 2.730 2.688 ( -1.288 -4.791 -0.262) 4.968 2.753 ( -1.536 0.137 6.260) 6.448 2.860 ( -4.577 1.942 5.886) 7.705 2.917 ( -0.201 -1.753 4.749) 5.066 2.994 ( -2.545 -0.102 3.638) 4.441 3.021 ( -5.804 -0.095 4.343) 7.250 3.113 ( -3.709 -2.504 8.249) 9.385 3.135 ( -0.493 -2.907 2.759) 4.038 3.294 ( 2.803 -1.363 5.454) 6.281 3.355 ( 1.646 -2.007 -0.024) 2.596 3.357 ( 0.698 4.336 6.458) 7.809 3.482 ( -0.010 3.313 0.984) 3.456 3.526 ( -0.899 -2.356 -0.188) 2.529 3.661 ( 7.215 1.241 -4.941) 8.833 3.718 ( 3.960 -4.528 5.905) 8.429 3.855 ( -4.652 -4.281 6.248) 8.889 3.966 ( 3.904 6.126 -0.131) 7.266 4.063 ( -2.292 3.333 -2.429) 4.718 4.322 ( -2.144 -4.623 7.434) 9.013 4.467 ( -3.728 -9.968 -7.619) 13.089 4.691 ( 3.174 2.730 0.184) 4.191 5.032 ( -0.808 -5.300 -1.913) 5.692 5.158 ( -6.008 -1.713 -4.236) 7.548 5.190 ( 1.116 -1.491 -3.422) 3.896 5.278 ( 1.706 3.696 -5.540) 6.875 5.409 ( -8.232 1.747 8.452) 11.928 5.566 ( -9.876 1.952 2.201) 10.305 5.657 ( 1.359 -1.050 -5.075) 5.358 5.689 ( 1.904 3.119 -1.632) 4.002 5.806 ( 4.060 1.395 -3.465) 5.517 5.937 ( 1.557 0.211 -6.314) 6.507 5.982 ( 5.910 -0.059 2.339) 6.356 6.052 ( 4.079 2.334 -1.010) 4.807 6.137 ( 7.203 -0.770 -0.009) 7.244 6.159 ( 4.278 5.512 0.771) 7.019 6.252 ( 2.177 7.433 -0.342) 7.753 6.284 ( 0.298 7.623 -0.926) 7.685 6.424 ( 7.329 9.191 2.415) 12.000 6.494 ( -7.721 -5.549 -1.140) 9.576 6.627 ( -0.687 -1.581 1.649) 2.385 6.647 ( -0.739 -5.006 4.019) 6.462 6.759 ( 3.217 0.674 4.548) 5.612 7.047 ( 4.243 7.508 2.092) 8.874 7.154 ( 6.494 4.414 2.269) 8.174 7.274 ( -1.031 0.434 3.228) 3.416 7.430 ( -0.647 0.603 0.919) 1.276 7.498 ( -3.072 -4.476 -2.136) 5.834 7.848 ( 2.237 -10.513 -2.226) 10.976 8.169 ( 9.167 5.743 -1.280) 10.893 8.316 ( -14.121 1.137 -0.880) 14.194 8.476 ( -3.970 -4.208 1.145) 5.898 8.552 ( -10.366 -8.696 1.336) 13.596 8.880 ( 3.991 6.287 -0.143) 7.448 9.058 ( 4.751 -0.775 0.928) 4.902 9.081 ( 1.470 -2.790 -0.675) 3.225 9.145 ( -3.815 -3.467 -3.512) 6.238 9.184 ( 1.543 2.685 0.342) 3.115 9.289 ( -5.101 -3.255 -3.697) 7.092 9.833 ( 4.528 11.827 -0.204) 12.666 10.005 ( 9.455 4.626 0.257) 10.529 10.141 ( -0.754 0.085 2.870) 2.969 10.268 ( 0.091 4.043 -0.576) 4.085 10.664 ( -5.316 -2.574 -1.006) 5.992 10.802 ( -2.643 -4.468 -0.782) 5.249 10.875 ( 8.016 -4.089 -0.671) 9.023 11.110 ( -0.772 3.206 -0.104) 3.299 11.217 ( 1.231 3.754 -3.623) 5.360 11.301 ( -1.123 -0.051 -2.974) 3.179 11.476 ( 7.045 -12.093 7.029) 15.661 11.651 ( 4.625 -3.997 0.605) 6.142 11.710 ( -0.847 -5.780 5.691) 8.156 13.847 ( 0.278 3.240 -0.561) 3.300 13.871 ( 0.447 1.449 -4.598) 4.841 13.908 ( 0.460 0.068 -1.555) 1.623 14.034 ( -0.437 4.782 0.272) 4.810 14.066 ( 0.848 -1.968 -2.439) 3.247 14.177 ( -2.312 3.957 -1.964) 4.986 14.220 ( -0.348 -1.368 -0.291) 1.441 14.287 ( -4.296 -4.483 -3.165) 6.969 14.422 ( -1.308 -0.152 -2.823) 3.115 14.620 ( -5.166 0.204 -4.800) 7.055 14.656 ( 3.357 0.877 -1.914) 3.963 14.691 ( 1.641 1.761 -2.428) 3.419 14.900 ( 3.675 -2.542 0.598) 4.508 15.125 ( 2.611 0.159 -5.884) 6.439 15.177 ( 2.830 -2.490 -2.945) 4.783 15.236 ( -6.017 1.750 -4.056) 7.464 15.441 ( -2.726 5.358 -5.574) 8.198 15.614 ( -5.182 0.314 -5.678) 7.694 24.156 ( 1.230 2.096 0.623) 2.508 24.193 ( 0.466 -0.475 0.476) 0.818 24.296 ( 0.958 5.031 1.197) 5.260 24.365 ( 0.440 -2.626 0.488) 2.707 24.467 ( -3.834 -2.262 -0.205) 4.456 24.693 ( 0.590 -0.941 0.017) 1.111 24.698 ( 4.519 0.966 -1.180) 4.769 24.807 ( 1.905 5.606 -0.269) 5.926 24.930 ( 1.255 -1.858 -1.774) 2.859 25.035 ( -6.984 -3.049 0.647) 7.648 25.228 ( -2.435 5.997 0.794) 6.521 25.308 ( -1.863 -4.740 0.362) 5.106 25.492 ( -2.607 -1.823 0.375) 3.203 25.526 ( 2.215 1.589 2.728) 3.857 25.701 ( -0.144 0.446 2.432) 2.476 26.650 ( -18.053 -13.670 -26.144) 34.587 27.204 ( 10.914 3.886 -4.887) 12.574 27.512 ( 5.662 1.290 -10.477) 11.979 28.520 ( -0.197 -2.583 7.369) 7.811 28.560 ( -1.359 -1.883 5.290) 5.777 28.608 ( -3.849 -0.425 6.759) 7.790 28.771 ( -1.737 -0.955 4.604) 5.013 28.855 ( -3.471 -0.083 7.213) 8.005 29.388 ( 17.616 10.847 31.434) 37.631 ======================= Grid point 49 (14/50) ======================= q-point: (-0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -5.009 3.664 -3.363) 7.059 0.926 ( -19.129 -7.233 11.531) 23.478 0.971 ( -19.960 -11.781 16.873) 28.669 1.111 ( -7.586 -16.626 2.199) 18.407 1.301 ( -2.983 3.714 29.080) 29.468 1.490 ( -22.762 -11.225 43.746) 50.575 1.752 ( 10.548 0.797 10.941) 15.219 1.808 ( 3.990 8.514 10.049) 13.762 2.024 ( -5.736 -5.037 12.665) 14.788 2.204 ( -4.477 -1.041 8.200) 9.400 2.337 ( -6.777 -8.534 11.970) 16.188 2.521 ( 5.167 1.732 1.936) 5.783 2.597 ( 0.451 3.047 -1.204) 3.307 2.672 ( 1.181 -1.677 3.274) 3.864 2.753 ( -0.735 -0.621 5.831) 5.910 2.799 ( -2.242 0.149 7.911) 8.224 2.835 ( -6.699 -1.152 5.066) 8.477 2.898 ( -0.137 -4.402 5.401) 6.969 2.973 ( -3.497 0.206 3.685) 5.084 3.092 ( 1.417 1.707 4.961) 5.434 3.154 ( 2.596 1.144 0.535) 2.887 3.302 ( -2.675 1.174 4.397) 5.279 3.321 ( -0.490 -4.123 1.257) 4.338 3.372 ( 0.495 -0.013 5.268) 5.291 3.538 ( 2.592 1.273 3.769) 4.749 3.545 ( -0.115 3.655 1.544) 3.969 3.703 ( 0.123 -2.917 2.103) 3.598 3.731 ( 2.199 -4.505 6.090) 7.888 3.820 ( 3.130 2.034 -2.413) 4.445 3.979 ( -3.958 -3.717 -3.902) 6.686 4.102 ( 0.656 7.101 -0.953) 7.195 4.241 ( -3.386 -0.821 9.018) 9.668 4.314 ( -3.848 -7.134 0.280) 8.111 4.784 ( 3.833 1.608 -3.812) 5.640 4.938 ( -4.662 -2.811 -4.891) 7.319 5.046 ( -1.955 0.312 -1.364) 2.404 5.171 ( 1.842 -7.535 2.191) 8.060 5.320 ( -0.433 2.620 9.143) 9.520 5.388 ( 2.402 2.742 -12.579) 13.096 5.461 ( -5.450 3.499 0.732) 6.518 5.685 ( 1.244 0.917 -2.108) 2.614 5.716 ( 1.051 0.036 0.089) 1.056 5.857 ( -2.774 -2.729 -0.972) 4.011 5.950 ( 1.399 2.025 0.118) 2.465 6.004 ( 3.412 1.359 -7.529) 8.377 6.128 ( 4.016 -5.839 -1.406) 7.225 6.186 ( -6.582 0.399 3.647) 7.536 6.248 ( 5.089 3.969 5.602) 8.546 6.268 ( -7.696 0.914 -5.078) 9.266 6.484 ( 6.668 4.817 -0.293) 8.231 6.538 ( 11.301 5.902 -1.454) 12.832 6.572 ( 6.135 8.094 -2.337) 10.422 6.678 ( 2.218 6.738 -1.679) 7.290 6.721 ( 8.030 1.173 2.657) 8.539 6.808 ( 3.423 -0.316 3.058) 4.600 7.032 ( -6.524 -3.673 -0.289) 7.493 7.286 ( 11.230 5.914 -1.431) 12.772 7.396 ( -0.032 -3.118 -1.981) 3.694 7.446 ( 10.513 6.338 8.418) 14.885 7.555 ( 3.839 6.589 1.563) 7.784 7.754 ( -0.009 -10.341 -1.553) 10.457 8.023 ( -17.973 0.180 0.342) 17.977 8.128 ( -13.355 -9.848 -1.350) 16.648 8.324 ( -5.445 -4.013 3.749) 7.733 8.338 ( -8.078 -5.776 1.656) 10.068 9.021 ( 4.044 3.930 -0.846) 5.702 9.040 ( 5.216 2.386 -1.113) 5.843 9.061 ( 1.506 0.192 0.397) 1.569 9.186 ( 3.526 -1.016 -0.119) 3.671 9.218 ( -0.064 -0.152 0.274) 0.320 9.245 ( -5.930 -2.407 -7.115) 9.570 10.017 ( 4.438 9.792 8.706) 13.834 10.123 ( -0.042 0.837 2.408) 2.550 10.252 ( 8.800 6.035 3.435) 11.209 10.290 ( 0.434 1.642 1.806) 2.479 10.572 ( -2.393 0.034 -3.468) 4.214 10.695 ( -4.306 -4.143 -0.106) 5.976 10.948 ( 5.140 -4.776 -1.917) 7.274 11.132 ( -1.228 3.716 0.066) 3.914 11.228 ( -1.151 -2.208 -1.008) 2.687 11.265 ( -1.420 -0.195 -2.416) 2.809 11.440 ( -0.303 -14.172 -2.498) 14.394 11.645 ( 0.176 -2.335 -1.423) 2.740 11.696 ( 2.047 -0.613 -3.400) 4.016 13.860 ( 0.370 0.939 -4.549) 4.659 13.887 ( 0.236 0.359 -5.403) 5.420 13.978 ( 3.196 4.461 0.535) 5.514 14.053 ( 2.841 -2.592 -1.429) 4.103 14.091 ( 0.322 2.636 2.109) 3.391 14.136 ( -4.875 0.363 -3.439) 5.977 14.204 ( 0.686 -0.668 -0.704) 1.188 14.224 ( -0.962 0.044 0.033) 0.963 14.382 ( -1.604 -1.185 -2.040) 2.853 14.474 ( -7.927 -1.570 -0.978) 8.140 14.735 ( 2.112 1.333 -1.028) 2.701 14.769 ( 4.339 3.040 -1.763) 5.584 14.960 ( -4.698 -2.116 -14.041) 14.957 15.053 ( 5.296 1.698 7.377) 9.238 15.231 ( 4.683 -0.707 -3.100) 5.660 15.277 ( 2.348 3.068 -2.129) 4.411 15.409 ( -5.142 2.226 -5.324) 7.729 15.505 ( -5.792 -3.017 -5.072) 8.269 24.208 ( 2.127 2.144 0.298) 3.035 24.216 ( 1.887 0.816 0.148) 2.062 24.320 ( -1.972 -0.199 -0.290) 2.003 24.333 ( -1.946 -2.570 0.205) 3.230 24.461 ( 3.872 4.514 3.364) 6.833 24.672 ( -0.552 -0.840 0.006) 1.005 24.780 ( -5.764 -1.774 0.590) 6.060 24.801 ( 1.986 0.528 -1.391) 2.481 24.958 ( 2.039 3.814 -2.327) 4.911 24.982 ( 2.658 -0.027 -1.341) 2.977 25.208 ( -3.049 -1.719 -0.973) 3.633 25.224 ( -3.342 -1.434 -1.118) 3.804 25.432 ( -1.659 -1.665 0.778) 2.476 25.561 ( 0.585 0.591 3.572) 3.667 25.707 ( 0.276 0.292 3.397) 3.420 26.044 ( -33.342 -22.105 -30.855) 50.521 27.433 ( 10.014 4.788 -2.621) 11.406 27.621 ( 4.309 1.853 -7.215) 8.606 28.487 ( -0.618 -1.507 5.789) 6.014 28.528 ( -0.191 -3.111 5.102) 5.979 28.535 ( -3.160 -0.546 7.910) 8.536 28.616 ( -8.423 -1.808 5.783) 10.376 28.919 ( 3.390 1.984 1.434) 4.181 29.964 ( 34.160 19.757 37.416) 54.380 ======================= Grid point 51 (15/50) ======================= q-point: ( 0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -9.422 8.799 3.867) 13.459 1.034 ( 14.514 -4.909 2.316) 15.496 1.185 ( 3.959 9.126 22.290) 24.409 1.312 ( 8.430 16.215 12.576) 22.184 1.371 ( -0.904 6.784 10.133) 12.228 1.607 ( -1.910 -6.063 17.198) 18.336 1.820 ( 5.979 0.725 11.338) 12.838 1.903 ( -8.294 3.025 17.227) 19.357 1.999 ( 11.679 9.827 18.797) 24.213 2.284 ( 1.219 10.418 8.836) 13.715 2.434 ( 5.903 2.815 12.543) 14.145 2.481 ( -2.287 -2.860 5.067) 6.252 2.587 ( 0.841 2.349 3.840) 4.579 2.662 ( 3.393 -0.988 0.840) 3.633 2.733 ( -2.288 0.012 4.278) 4.851 2.851 ( -1.204 4.240 5.057) 6.708 2.930 ( 6.187 4.310 6.073) 9.681 2.980 ( 4.460 5.598 6.460) 9.642 3.036 ( 1.700 1.896 4.171) 4.887 3.086 ( -1.596 -0.038 6.561) 6.752 3.146 ( 3.621 -1.928 1.390) 4.331 3.204 ( -6.688 0.275 4.364) 7.991 3.325 ( -2.153 -1.014 3.459) 4.199 3.455 ( 5.327 2.642 2.605) 6.492 3.528 ( 3.085 -2.349 2.326) 4.522 3.574 ( -0.423 -5.243 0.830) 5.325 3.599 ( -3.988 -0.297 1.648) 4.325 3.656 ( -3.282 1.254 1.139) 3.693 3.810 ( 0.011 -3.301 0.718) 3.378 3.959 ( -2.742 -1.920 3.849) 5.101 4.153 ( -0.567 3.754 -5.494) 6.678 4.280 ( -1.148 4.732 6.858) 8.411 4.361 ( 5.657 -1.015 -3.514) 6.737 4.765 ( 2.518 -3.264 -0.109) 4.124 4.935 ( -3.124 2.077 -1.940) 4.224 5.093 ( -0.034 3.872 -3.011) 4.905 5.143 ( 1.093 5.250 -2.593) 5.957 5.367 ( 1.777 -2.436 -11.461) 11.851 5.441 ( 4.096 5.590 9.255) 11.562 5.566 ( 1.480 4.571 6.006) 7.692 5.668 ( -0.566 -2.750 -1.751) 3.309 5.721 ( 2.921 3.045 -4.749) 6.353 5.840 ( -1.421 -3.781 -5.983) 7.219 5.942 ( -1.370 -4.058 -4.961) 6.554 5.972 ( -1.044 -3.983 1.959) 4.560 6.000 ( -4.177 0.163 -2.244) 4.744 6.143 ( -4.384 -7.951 4.287) 10.041 6.255 ( -8.984 -14.143 1.067) 16.789 6.313 ( -1.820 -1.761 -0.301) 2.551 6.348 ( -2.635 4.387 0.687) 5.163 6.448 ( 8.263 -3.606 1.069) 9.078 6.521 ( -3.318 -0.980 3.235) 4.737 6.632 ( 3.667 1.525 0.602) 4.017 6.693 ( 1.770 -0.585 2.141) 2.838 6.736 ( -4.086 -0.180 1.186) 4.258 7.182 ( 2.120 8.812 -0.282) 9.068 7.262 ( -7.551 -7.647 5.465) 12.056 7.283 ( -11.734 4.829 -0.085) 12.689 7.354 ( 14.230 -8.067 -1.654) 16.441 7.524 ( -11.219 0.418 1.726) 11.358 7.566 ( 7.234 -12.251 -0.467) 14.235 8.236 ( 2.296 3.536 -1.045) 4.344 8.313 ( -1.573 5.253 -0.415) 5.499 8.433 ( 3.886 7.306 0.708) 8.305 8.481 ( 5.186 7.081 -0.124) 8.778 8.983 ( -2.377 1.757 -1.226) 3.200 9.023 ( 7.163 3.905 -2.360) 8.493 9.053 ( 0.734 0.635 -0.100) 0.976 9.141 ( 0.666 -4.213 -0.065) 4.266 9.178 ( -3.556 0.999 -0.159) 3.697 9.252 ( -2.534 -3.176 -2.868) 4.973 10.035 ( 0.765 -4.075 7.898) 8.920 10.076 ( -3.715 -1.921 2.291) 4.769 10.168 ( 2.249 -9.606 2.180) 10.104 10.221 ( -8.636 -2.084 -6.733) 11.147 10.653 ( 2.992 3.996 -2.667) 5.660 10.727 ( -0.754 2.482 -2.321) 3.481 10.820 ( -0.252 -5.218 1.070) 5.333 11.154 ( -2.891 -0.970 -0.398) 3.075 11.228 ( 0.886 -1.549 -0.233) 1.800 11.250 ( 0.377 2.495 -3.134) 4.023 11.405 ( 2.124 0.772 3.167) 3.890 11.590 ( -4.307 -0.452 0.541) 4.364 11.647 ( 0.234 -3.908 -1.475) 4.184 13.864 ( 0.331 0.315 -4.720) 4.742 13.887 ( -0.478 -0.220 -1.730) 1.808 13.955 ( 0.142 -3.903 2.524) 4.650 14.013 ( -1.928 0.084 -1.329) 2.343 14.095 ( 1.171 -0.233 0.299) 1.230 14.163 ( -2.304 0.454 -1.348) 2.708 14.222 ( 1.005 1.372 -1.164) 2.060 14.267 ( 4.411 4.009 -3.173) 6.753 14.431 ( 1.150 3.454 -2.941) 4.680 14.602 ( 2.804 6.613 -3.033) 7.797 14.683 ( -1.890 -4.890 -2.252) 5.706 14.702 ( -2.563 -3.095 -3.594) 5.392 14.875 ( -3.312 -5.425 0.257) 6.361 15.108 ( -3.879 -4.125 -4.251) 7.081 15.155 ( 2.712 3.490 -8.239) 9.350 15.292 ( 3.885 2.462 -1.016) 4.711 15.520 ( 1.012 5.164 -3.681) 6.422 15.593 ( 3.336 3.955 -4.571) 6.904 24.175 ( -1.897 -0.815 0.651) 2.165 24.205 ( 1.609 -1.689 0.909) 2.504 24.311 ( -2.598 -1.147 1.694) 3.306 24.377 ( 2.093 2.595 -0.914) 3.457 24.436 ( -0.210 0.304 1.097) 1.158 24.660 ( 0.490 -1.448 0.240) 1.548 24.719 ( -3.114 -4.719 -1.995) 5.995 24.834 ( -3.630 1.204 0.239) 3.832 24.923 ( 0.741 -5.118 -0.693) 5.218 25.060 ( 6.855 5.854 0.750) 9.046 25.205 ( -2.260 5.253 0.167) 5.721 25.331 ( 3.983 4.205 -0.701) 5.834 25.463 ( 1.404 1.434 0.445) 2.056 25.552 ( -0.159 -1.468 3.565) 3.859 25.697 ( -0.689 -0.620 2.774) 2.925 26.474 ( 11.361 21.830 -30.260) 39.004 27.264 ( -4.476 -10.696 -3.667) 12.161 27.515 ( -4.469 -6.517 -10.386) 13.050 28.506 ( 1.758 1.293 4.600) 5.092 28.512 ( -0.780 1.481 4.702) 4.991 28.626 ( 3.570 4.915 11.643) 13.133 28.740 ( 2.038 4.894 5.297) 7.494 28.862 ( -1.306 -2.042 3.335) 4.123 29.518 ( -11.346 -20.692 34.419) 41.732 ======================= Grid point 52 (16/50) ======================= q-point: ( 0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -9.815 14.546 6.281) 18.638 1.210 ( 2.856 -4.226 8.191) 9.649 1.318 ( 7.844 2.918 6.600) 10.659 1.326 ( -2.037 -1.156 10.945) 11.193 1.525 ( 2.034 -0.646 10.823) 11.031 1.601 ( 0.039 1.500 5.255) 5.465 1.770 ( 2.911 4.368 23.904) 24.473 1.975 ( 3.201 -2.477 10.025) 10.811 2.085 ( 3.171 -6.861 15.603) 17.337 2.329 ( -7.797 2.911 11.939) 14.554 2.427 ( 1.882 -0.813 7.077) 7.368 2.480 ( 1.860 -2.077 7.572) 8.069 2.686 ( -2.232 3.193 9.203) 9.994 2.736 ( 2.976 2.214 4.333) 5.704 2.830 ( 2.633 1.256 2.489) 3.835 2.872 ( 1.994 8.367 9.084) 12.510 2.998 ( -4.473 2.355 6.494) 8.230 3.073 ( 0.790 1.095 7.080) 7.208 3.090 ( 3.975 6.700 5.407) 9.483 3.126 ( 5.558 2.807 5.520) 8.321 3.142 ( 0.294 -0.110 1.641) 1.671 3.252 ( 6.585 2.920 3.781) 8.135 3.254 ( -1.920 -1.950 2.237) 3.534 3.423 ( -6.009 -2.567 2.840) 7.125 3.493 ( -9.332 0.259 2.573) 9.684 3.582 ( 4.720 -0.747 -2.998) 5.641 3.618 ( 1.536 2.390 2.380) 3.706 3.646 ( 1.936 -0.328 0.415) 2.007 3.736 ( -0.141 -7.725 0.809) 7.769 3.883 ( 0.417 -7.655 9.370) 12.107 4.164 ( -4.315 8.217 -7.122) 11.699 4.313 ( 1.451 1.024 4.872) 5.186 4.433 ( 5.027 -5.081 -6.946) 9.967 4.766 ( -2.843 1.252 0.581) 3.161 4.930 ( 3.894 -2.669 -2.882) 5.531 5.108 ( -0.701 0.739 -3.130) 3.292 5.248 ( 2.471 6.748 -5.856) 9.270 5.429 ( 4.229 3.780 -2.031) 6.025 5.459 ( -5.300 -0.094 3.025) 6.103 5.600 ( -0.833 -1.022 1.187) 1.774 5.659 ( 5.035 0.171 2.118) 5.465 5.746 ( -2.990 -3.257 -8.502) 9.583 5.805 ( -0.143 -4.410 0.157) 4.415 5.857 ( -6.739 -3.740 1.292) 7.814 5.938 ( 3.705 -4.009 -1.594) 5.687 5.964 ( 1.351 -3.718 0.632) 4.006 6.010 ( 1.854 -2.275 3.264) 4.389 6.102 ( -0.100 -1.262 1.045) 1.641 6.140 ( -2.037 0.846 -2.402) 3.261 6.348 ( -14.618 5.322 -0.125) 15.557 6.475 ( -3.631 6.099 3.409) 7.874 6.594 ( 4.900 0.175 1.352) 5.086 6.672 ( -0.012 -1.696 1.614) 2.342 6.763 ( 1.101 7.422 0.649) 7.531 6.820 ( 9.549 9.541 0.370) 13.503 7.022 ( -9.035 4.039 5.332) 11.242 7.043 ( -10.718 -2.256 4.735) 11.933 7.269 ( -9.096 -2.104 3.794) 10.077 7.427 ( 7.567 -7.013 -0.505) 10.329 7.551 ( 10.839 -22.242 -1.744) 24.804 7.631 ( 11.695 12.947 -0.323) 17.450 8.073 ( -18.547 -4.629 -0.676) 19.128 8.295 ( 7.833 -9.429 -0.726) 12.280 8.538 ( -0.075 6.898 -1.323) 7.024 8.681 ( 11.790 4.340 -0.155) 12.564 8.894 ( -7.526 -5.405 -0.549) 9.282 9.044 ( 0.351 -0.744 -0.659) 1.054 9.099 ( -0.132 -4.141 0.320) 4.156 9.146 ( -2.437 -2.941 -0.144) 3.823 9.164 ( -7.761 18.371 -0.962) 19.966 9.439 ( 18.664 13.257 -6.681) 23.848 9.870 ( -15.609 -3.447 -2.649) 16.203 9.973 ( -9.994 -1.792 -2.166) 10.382 10.091 ( 6.761 -5.338 3.116) 9.161 10.129 ( 2.742 -9.930 0.641) 10.321 10.685 ( 0.703 -0.946 -3.908) 4.082 10.770 ( 2.209 2.358 -0.958) 3.370 10.830 ( 2.261 -2.993 0.997) 3.881 11.082 ( -2.665 -0.745 -2.189) 3.528 11.206 ( 2.983 -5.591 -0.487) 6.356 11.318 ( -0.850 4.901 2.757) 5.687 11.431 ( -1.418 1.799 1.235) 2.602 11.520 ( -0.802 -1.031 -1.939) 2.338 11.644 ( 4.120 -6.161 4.481) 8.661 13.853 ( -1.265 -1.913 2.286) 3.238 13.876 ( -0.434 1.902 -2.746) 3.368 13.940 ( -0.068 -0.090 0.028) 0.116 13.977 ( 0.402 -2.932 2.000) 3.572 14.103 ( -1.879 1.212 -1.776) 2.856 14.153 ( 2.793 -2.502 -0.117) 3.751 14.263 ( -0.490 5.532 -3.724) 6.687 14.397 ( 4.026 5.378 -3.698) 7.668 14.460 ( -3.079 3.132 -3.752) 5.776 14.594 ( -0.951 -5.108 -2.662) 5.838 14.638 ( -0.349 -2.417 -6.076) 6.548 14.649 ( -0.355 -1.832 -2.530) 3.144 14.855 ( 3.332 -0.393 -2.227) 4.027 15.016 ( -2.815 -1.129 -4.221) 5.198 15.146 ( -0.265 -3.795 -3.519) 5.182 15.449 ( 3.692 9.109 -3.499) 10.433 15.527 ( -6.139 5.586 -3.957) 9.195 15.671 ( 2.526 0.184 -3.912) 4.660 24.149 ( -0.896 0.972 1.052) 1.690 24.228 ( 1.846 -2.139 1.534) 3.215 24.243 ( -2.531 -0.031 2.286) 3.411 24.404 ( -2.107 4.007 -1.126) 4.665 24.496 ( 5.368 0.779 -0.847) 5.490 24.606 ( -3.472 -4.899 -1.410) 6.169 24.657 ( 1.117 -4.146 -0.426) 4.315 24.782 ( -1.905 1.846 0.708) 2.745 24.890 ( 1.038 -4.892 -0.343) 5.013 25.181 ( 0.098 1.699 1.448) 2.234 25.275 ( 1.848 10.942 3.051) 11.508 25.401 ( -1.701 4.885 -0.156) 5.175 25.494 ( -0.164 -1.041 0.657) 1.242 25.524 ( 0.058 -1.357 2.798) 3.110 25.680 ( 0.610 -1.911 2.017) 2.844 26.809 ( 9.679 9.678 -19.541) 23.858 27.089 ( -5.868 -7.767 -9.421) 13.547 27.386 ( -1.347 -6.052 -14.339) 15.622 28.517 ( -0.340 1.049 5.005) 5.125 28.569 ( 3.349 1.687 3.598) 5.197 28.705 ( -2.013 -4.281 2.502) 5.352 28.720 ( -0.424 5.028 12.938) 13.887 28.938 ( 6.134 5.145 13.053) 15.313 29.198 ( -8.575 -10.040 22.534) 26.117 ======================= Grid point 53 (17/50) ======================= q-point: (-0.50 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -4.675 19.593 4.912) 20.734 1.112 ( -3.489 -9.765 8.333) 13.303 1.293 ( -1.705 -0.680 14.417) 14.533 1.398 ( 2.204 -3.272 7.328) 8.322 1.542 ( -1.934 -0.484 5.548) 5.896 1.577 ( -2.249 0.149 11.578) 11.796 1.859 ( -2.034 -3.636 11.442) 12.177 1.969 ( -0.886 3.048 17.267) 17.556 2.010 ( 4.331 -9.872 19.125) 21.954 2.332 ( 0.102 5.773 6.923) 9.015 2.433 ( 1.216 0.888 6.027) 6.213 2.490 ( 1.124 -4.812 11.622) 12.629 2.648 ( -3.873 4.725 5.445) 8.183 2.774 ( -4.214 -2.794 10.590) 11.735 2.791 ( -3.669 2.002 2.813) 5.038 2.917 ( -4.960 -0.641 9.149) 10.427 2.979 ( 0.286 5.234 2.107) 5.649 3.045 ( -4.112 1.464 6.243) 7.617 3.096 ( -4.855 -2.057 6.660) 8.495 3.129 ( -1.895 -2.373 0.861) 3.157 3.193 ( -5.103 0.776 7.097) 8.776 3.225 ( -2.544 -4.698 4.715) 7.125 3.285 ( 1.284 -2.234 1.202) 2.843 3.402 ( 1.924 8.010 3.985) 9.151 3.451 ( 7.131 2.860 3.420) 8.410 3.570 ( -5.036 -0.522 -2.139) 5.496 3.605 ( -0.849 -0.865 -1.826) 2.192 3.656 ( 1.151 -0.239 -0.704) 1.370 3.818 ( 4.097 -8.012 6.912) 11.347 3.842 ( 8.493 -1.053 5.536) 10.192 4.177 ( -3.240 6.886 -5.863) 9.607 4.337 ( -0.487 1.663 2.897) 3.376 4.403 ( -0.262 -9.064 -6.410) 11.105 4.728 ( -2.856 4.449 1.356) 5.458 4.962 ( 2.909 -5.598 -2.760) 6.886 5.121 ( 2.065 -0.220 -3.853) 4.377 5.269 ( -6.432 -0.794 -5.682) 8.619 5.366 ( -4.238 4.519 -2.130) 6.551 5.511 ( -1.038 0.170 4.357) 4.482 5.623 ( 1.768 -1.335 -2.095) 3.049 5.677 ( 0.824 -1.108 0.075) 1.383 5.681 ( -0.154 0.003 0.243) 0.287 5.802 ( 2.815 0.652 -3.798) 4.772 5.847 ( 6.173 0.206 3.591) 7.144 5.931 ( -0.599 -1.423 -2.336) 2.800 5.970 ( 3.236 -3.582 -0.498) 4.853 6.020 ( 5.355 -4.867 1.568) 7.404 6.055 ( -2.592 4.311 0.436) 5.049 6.163 ( 4.983 -0.345 -2.557) 5.611 6.427 ( 4.750 12.390 1.400) 13.343 6.448 ( -5.306 8.447 3.640) 10.619 6.600 ( -1.087 -4.052 2.883) 5.090 6.642 ( -7.062 -1.797 -0.310) 7.294 6.716 ( -4.465 1.362 0.339) 4.680 6.829 ( -11.411 0.740 0.951) 11.475 7.037 ( 8.643 5.620 7.438) 12.712 7.141 ( 3.071 13.003 4.867) 14.220 7.242 ( 6.691 6.315 0.591) 9.219 7.413 ( 2.927 -14.770 -3.082) 15.369 7.483 ( 3.706 -15.979 1.224) 16.449 7.652 ( -12.393 -5.689 0.551) 13.647 8.053 ( 12.219 11.750 -0.801) 16.971 8.340 ( 8.537 -11.261 -1.155) 14.178 8.550 ( -5.114 4.269 -1.161) 6.762 8.657 ( -10.243 -7.562 -0.466) 12.740 8.918 ( 10.632 1.716 -1.028) 10.818 9.048 ( -0.461 -0.794 0.079) 0.921 9.079 ( 0.551 1.355 -0.154) 1.470 9.148 ( -2.800 6.329 -2.150) 7.247 9.154 ( -6.396 8.361 0.820) 10.558 9.457 ( -19.203 -10.758 -5.597) 22.712 9.853 ( 11.448 14.087 -5.328) 18.918 9.941 ( 2.957 5.478 1.721) 6.459 10.081 ( 2.396 -7.606 2.711) 8.423 10.175 ( 8.684 -6.707 -1.083) 11.026 10.696 ( 2.022 -2.408 -3.563) 4.751 10.769 ( -3.147 -0.004 -1.244) 3.384 10.808 ( -1.190 -1.936 1.300) 2.618 11.097 ( 3.831 0.300 -2.605) 4.642 11.212 ( 3.438 -4.929 0.555) 6.035 11.297 ( -4.597 3.227 1.785) 5.894 11.421 ( -2.328 2.920 0.116) 3.736 11.555 ( 4.019 0.309 -0.788) 4.108 11.630 ( 2.051 -7.433 4.866) 9.118 13.843 ( 1.282 0.216 1.071) 1.684 13.894 ( 0.013 2.664 -0.994) 2.843 13.913 ( -1.335 -0.996 -0.212) 1.679 13.995 ( 3.433 -2.162 1.382) 4.285 14.089 ( -1.261 1.532 -1.517) 2.498 14.165 ( 2.001 -3.080 0.105) 3.674 14.272 ( -4.396 3.462 -3.519) 6.610 14.372 ( -6.994 0.121 -4.549) 8.344 14.474 ( -1.317 3.442 -3.269) 4.926 14.589 ( 3.739 -1.743 -3.208) 5.226 14.639 ( 2.836 -0.594 -5.677) 6.374 14.661 ( 3.159 -1.520 -2.238) 4.159 14.847 ( -1.751 -2.594 -2.322) 3.897 15.034 ( 3.581 1.038 -4.279) 5.675 15.133 ( 2.531 -1.303 -3.341) 4.389 15.426 ( -10.321 3.317 -4.213) 11.630 15.550 ( -1.532 6.740 -3.058) 7.558 15.667 ( -1.698 -2.378 -4.273) 5.177 24.164 ( 0.537 1.925 1.152) 2.307 24.186 ( -0.998 -0.953 1.315) 1.906 24.276 ( 2.826 -0.486 2.589) 3.863 24.402 ( -2.716 3.941 -1.228) 4.942 24.497 ( -3.297 -4.112 -1.027) 5.369 24.607 ( 6.080 0.198 -1.255) 6.212 24.646 ( 1.967 -2.105 -0.220) 2.889 24.815 ( 2.221 2.809 0.263) 3.590 24.864 ( 1.541 -4.148 -0.044) 4.425 25.157 ( -4.950 2.392 1.663) 5.743 25.336 ( -5.744 -2.050 2.579) 6.622 25.369 ( -4.445 7.856 0.651) 9.050 25.499 ( 2.601 1.228 2.081) 3.550 25.509 ( -1.125 -1.812 0.490) 2.188 25.685 ( 1.592 -1.529 2.173) 3.097 26.833 ( -13.031 -5.512 -19.971) 24.475 27.059 ( 9.030 3.444 -9.220) 13.357 27.394 ( 6.488 -2.199 -13.981) 15.569 28.517 ( -0.761 0.731 5.159) 5.266 28.577 ( -2.790 -2.511 2.976) 4.790 28.682 ( 0.451 1.805 6.941) 7.186 28.736 ( -0.067 1.175 8.618) 8.697 28.951 ( -7.326 -3.647 13.098) 15.444 29.187 ( 12.768 3.297 22.777) 26.319 ======================= Grid point 58 (18/50) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -2.784 -5.568 6.847) 9.255 1.095 ( 2.784 5.568 6.847) 9.255 1.295 ( -0.000 -0.000 13.571) 13.571 1.378 ( 0.000 -0.000 0.911) 0.911 1.542 ( -1.132 -2.263 4.568) 5.222 1.542 ( 1.132 2.263 4.568) 5.222 1.866 ( -2.588 -5.175 23.512) 24.213 1.866 ( 2.588 5.175 23.512) 24.213 2.052 ( -0.000 -0.000 6.142) 6.142 2.387 ( -1.516 -3.033 10.746) 11.268 2.387 ( 1.516 3.033 10.746) 11.268 2.454 ( -0.000 -0.000 8.784) 8.784 2.725 ( -0.000 -0.000 5.564) 5.564 2.784 ( -0.838 -1.675 5.774) 6.070 2.784 ( 0.838 1.675 5.774) 6.070 3.001 ( -0.000 0.000 5.004) 5.004 3.020 ( -1.233 -2.467 5.772) 6.397 3.020 ( 1.233 2.467 5.772) 6.397 3.151 ( -0.583 -1.165 3.182) 3.439 3.151 ( 0.583 1.165 3.182) 3.439 3.166 ( 0.000 -0.000 3.763) 3.763 3.330 ( -0.629 -1.259 5.700) 5.871 3.330 ( 0.629 1.259 5.700) 5.871 3.348 ( 0.000 -0.000 3.854) 3.854 3.554 ( -1.325 -2.650 -2.390) 3.807 3.554 ( 1.325 2.650 -2.390) 3.807 3.589 ( -0.000 0.000 7.897) 7.897 3.666 ( 0.000 -0.000 0.780) 0.780 3.707 ( -2.708 -5.417 5.415) 8.124 3.707 ( 2.708 5.417 5.415) 8.124 4.299 ( -2.367 -4.734 -10.124) 11.424 4.299 ( 2.367 4.734 -10.124) 11.424 4.355 ( -0.000 -0.000 8.908) 8.908 4.842 ( -2.610 -5.220 -2.002) 6.169 4.842 ( 2.610 5.220 -2.002) 6.169 5.106 ( -0.000 -0.000 -2.397) 2.397 5.333 ( -0.000 -0.000 -7.091) 7.091 5.471 ( -1.326 -2.651 0.856) 3.085 5.471 ( 1.326 2.651 0.856) 3.085 5.625 ( -1.727 -3.454 0.488) 3.892 5.625 ( 1.727 3.454 0.488) 3.892 5.660 ( -0.000 -0.000 -4.486) 4.486 5.795 ( -0.000 -0.000 2.892) 2.892 5.801 ( -1.418 -2.837 2.284) 3.909 5.801 ( 1.418 2.837 2.284) 3.909 5.974 ( -0.649 -1.298 -1.965) 2.443 5.974 ( 0.649 1.298 -1.965) 2.443 6.041 ( -0.000 -0.000 1.061) 1.061 6.344 ( -0.000 -0.000 -0.105) 0.105 6.448 ( -3.853 -7.706 2.282) 8.913 6.448 ( 3.853 7.706 2.282) 8.913 6.621 ( -0.000 -0.000 -0.128) 0.128 6.694 ( -2.336 -4.673 0.652) 5.265 6.694 ( 2.336 4.673 0.652) 5.265 7.055 ( -0.000 -0.000 0.629) 0.629 7.114 ( -4.383 -8.767 2.032) 10.010 7.114 ( 4.383 8.767 2.032) 10.010 7.143 ( 0.000 -0.000 5.092) 5.092 7.267 ( -1.300 -2.600 2.773) 4.018 7.267 ( 1.300 2.600 2.773) 4.018 7.891 ( -0.000 -0.000 0.654) 0.654 8.043 ( -3.674 -7.348 -0.723) 8.247 8.043 ( 3.674 7.348 -0.723) 8.247 8.713 ( -2.802 -5.604 -1.820) 6.525 8.713 ( 2.802 5.604 -1.820) 6.525 8.734 ( -0.000 -0.000 -1.840) 1.840 9.043 ( -0.449 -0.898 -0.141) 1.014 9.043 ( 0.449 0.898 -0.141) 1.014 9.117 ( -0.000 -0.000 -0.205) 0.205 9.549 ( -0.000 -0.000 -4.328) 4.328 9.634 ( -5.108 -10.217 -5.623) 12.732 9.634 ( 5.108 10.217 -5.623) 12.732 9.995 ( -0.000 -0.000 3.280) 3.280 9.997 ( -0.564 -1.127 1.444) 1.916 9.997 ( 0.564 1.127 1.444) 1.916 10.671 ( -0.000 -0.000 -7.556) 7.556 10.803 ( -0.573 -1.145 -0.726) 1.472 10.803 ( 0.573 1.145 -0.726) 1.472 11.102 ( -1.612 -3.224 -0.504) 3.640 11.102 ( 1.612 3.224 -0.504) 3.640 11.402 ( -0.000 -0.000 7.700) 7.700 11.468 ( -0.000 -0.000 -3.474) 3.474 11.531 ( -1.231 -2.462 1.147) 2.981 11.531 ( 1.231 2.462 1.147) 2.981 13.827 ( -0.000 -0.000 1.962) 1.962 13.924 ( -0.900 -1.800 1.816) 2.710 13.924 ( 0.900 1.800 1.816) 2.710 13.934 ( -0.000 -0.000 -0.686) 0.686 14.115 ( -0.542 -1.085 -0.447) 1.293 14.115 ( 0.542 1.085 -0.447) 1.293 14.402 ( -2.747 -5.494 -4.287) 7.490 14.402 ( 2.747 5.494 -4.287) 7.490 14.531 ( -0.736 -1.473 -3.424) 3.799 14.531 ( 0.736 1.473 -3.424) 3.799 14.569 ( 0.000 0.000 -5.727) 5.727 14.609 ( -0.000 -0.000 -3.561) 3.561 14.854 ( -0.000 -0.000 -3.639) 3.639 15.060 ( -1.814 -3.628 -3.850) 5.592 15.060 ( 1.814 3.628 -3.850) 5.592 15.564 ( 0.000 -0.000 -1.554) 1.554 15.622 ( -1.940 -3.880 -3.909) 5.839 15.622 ( 1.940 3.880 -3.909) 5.839 24.182 ( -0.739 -1.479 1.559) 2.272 24.182 ( 0.739 1.479 1.559) 2.272 24.243 ( 0.000 -0.000 2.590) 2.590 24.484 ( -0.000 -0.000 -1.881) 1.881 24.511 ( -1.288 -2.576 -1.222) 3.128 24.511 ( 1.288 2.576 -1.222) 3.128 24.610 ( -0.000 -0.000 -0.097) 0.097 24.817 ( -0.783 -1.565 0.665) 1.872 24.817 ( 0.783 1.565 0.665) 1.872 25.207 ( -0.000 -0.000 2.114) 2.114 25.438 ( -2.132 -4.264 3.755) 6.069 25.438 ( 2.132 4.264 3.755) 6.069 25.487 ( -1.252 -2.503 -0.125) 2.802 25.487 ( 1.252 2.503 -0.125) 2.802 25.646 ( -0.000 -0.000 1.540) 1.540 26.964 ( -2.321 -4.643 -13.258) 14.238 26.964 ( 2.321 4.643 -13.258) 14.238 27.309 ( -0.000 -0.000 -17.813) 17.813 28.536 ( -0.000 -0.000 4.103) 4.103 28.618 ( -1.575 -3.151 2.270) 4.191 28.618 ( 1.575 3.151 2.270) 4.191 28.789 ( 0.000 -0.000 19.322) 19.322 29.037 ( -2.513 -5.026 15.160) 16.168 29.037 ( 2.513 5.026 15.160) 16.168 ======================= Grid point 63 (19/50) ======================= q-point: (-0.17 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -0.248 2.203 -8.466) 8.751 1.154 ( 4.764 -0.506 14.543) 15.312 1.225 ( -5.220 9.229 14.753) 18.168 1.277 ( -10.736 15.590 12.112) 22.472 1.345 ( -3.031 8.573 13.036) 15.894 1.661 ( 0.492 -2.804 26.461) 26.614 1.773 ( -12.272 -5.676 10.730) 17.261 1.865 ( -0.805 14.447 13.525) 19.806 2.089 ( -2.074 13.675 19.070) 23.558 2.250 ( 1.100 6.273 5.716) 8.557 2.419 ( 1.499 -2.658 14.796) 15.107 2.484 ( -1.528 -5.434 7.294) 9.223 2.602 ( -5.106 1.931 4.275) 6.934 2.667 ( 3.773 2.966 2.075) 5.228 2.776 ( -1.493 -1.726 -2.755) 3.578 2.866 ( -5.204 0.836 5.635) 7.715 2.882 ( 1.954 5.930 5.049) 8.030 2.936 ( -0.283 0.744 2.812) 2.923 2.991 ( -3.337 0.767 4.828) 5.919 3.097 ( -1.946 3.502 8.708) 9.585 3.163 ( -1.488 0.246 3.155) 3.497 3.263 ( 3.274 2.705 5.827) 7.210 3.355 ( 1.714 -0.089 4.951) 5.240 3.389 ( -1.555 -1.777 1.274) 2.683 3.484 ( -0.791 -1.657 0.116) 1.840 3.547 ( -1.867 -0.222 1.492) 2.400 3.716 ( 5.118 -1.971 -1.198) 5.614 3.783 ( 0.781 6.706 6.543) 9.401 3.851 ( -3.636 -4.801 4.021) 7.241 3.910 ( 2.944 -6.964 3.954) 8.532 4.032 ( 0.786 3.286 -6.434) 7.267 4.323 ( -3.350 8.495 1.320) 9.227 4.498 ( -6.754 7.907 4.431) 11.304 4.765 ( -3.266 -4.788 -5.604) 8.062 4.987 ( 3.797 7.573 -10.504) 13.495 5.055 ( 1.426 1.233 -2.399) 3.051 5.212 ( 6.567 1.147 10.938) 12.809 5.338 ( -2.846 -2.202 1.002) 3.736 5.353 ( -9.342 -1.137 -3.628) 10.086 5.441 ( -0.875 2.863 0.005) 2.993 5.667 ( 2.735 -2.876 -2.612) 4.751 5.720 ( -2.998 -0.590 -4.240) 5.226 5.886 ( 0.372 -2.202 0.495) 2.287 5.918 ( 3.635 -0.760 -1.991) 4.214 5.961 ( 1.741 -3.596 -8.544) 9.432 6.059 ( 7.643 -1.707 2.612) 8.256 6.128 ( 0.955 -10.264 -0.425) 10.317 6.184 ( 10.060 -5.454 -2.311) 11.674 6.238 ( 1.291 -5.020 -0.070) 5.184 6.311 ( 1.646 -13.100 1.276) 13.264 6.433 ( 3.005 -2.770 -0.655) 4.139 6.486 ( -5.051 7.025 3.536) 9.347 6.539 ( 0.909 1.575 -2.551) 3.132 6.732 ( -3.643 -0.167 3.790) 5.260 6.787 ( 3.760 1.687 4.641) 6.207 7.183 ( -4.779 8.352 0.104) 9.623 7.229 ( 1.862 -10.643 3.540) 11.370 7.356 ( -7.667 -7.425 1.008) 10.721 7.420 ( 0.821 -0.636 1.036) 1.467 7.474 ( 1.473 -6.215 -0.218) 6.391 7.583 ( 17.346 3.932 0.150) 17.787 8.232 ( -1.501 2.584 -1.001) 3.152 8.283 ( -5.611 1.850 -1.918) 6.211 8.476 ( -5.554 10.312 2.408) 11.957 8.519 ( -7.196 9.728 1.213) 12.161 8.941 ( -4.520 -2.073 -2.864) 5.739 9.001 ( 3.481 6.444 -3.232) 8.005 9.074 ( -0.009 1.262 1.239) 1.768 9.155 ( 4.945 -1.363 0.909) 5.209 9.208 ( -2.473 -2.881 0.958) 3.916 9.285 ( 1.121 -1.150 -5.722) 5.943 9.828 ( 3.581 -9.386 3.199) 10.543 10.086 ( 2.372 -0.909 1.844) 3.139 10.150 ( -1.879 -10.163 0.720) 10.360 10.173 ( 8.511 -3.099 0.820) 9.095 10.641 ( -3.904 5.320 -0.509) 6.618 10.772 ( -0.342 4.643 -0.977) 4.757 11.013 ( -2.992 -1.884 -1.987) 4.056 11.104 ( -0.222 -1.111 -1.295) 1.720 11.189 ( 2.387 -4.145 -3.610) 5.993 11.263 ( 1.580 2.100 -0.736) 2.729 11.655 ( -2.745 3.082 6.989) 8.117 11.701 ( 0.544 6.227 4.282) 7.577 11.757 ( -3.953 2.756 2.679) 5.514 13.808 ( 2.315 -2.583 -3.891) 5.213 13.882 ( 0.134 -1.802 -3.064) 3.557 13.935 ( -2.045 -1.669 -4.284) 5.032 13.992 ( 3.781 -3.711 2.327) 5.787 14.064 ( 2.468 -1.445 -0.287) 2.874 14.102 ( 1.148 -1.328 -3.645) 4.046 14.235 ( -3.100 2.128 -1.168) 3.937 14.272 ( -1.201 4.731 -2.865) 5.660 14.471 ( -6.749 0.925 -2.774) 7.355 14.510 ( 2.449 6.844 -3.517) 8.075 14.687 ( 2.129 -3.024 -2.028) 4.218 14.695 ( 1.389 -3.509 -2.266) 4.402 14.945 ( 1.636 -1.287 0.667) 2.186 15.114 ( -4.548 6.214 -9.374) 12.131 15.202 ( -0.210 -4.081 0.662) 4.140 15.230 ( 3.489 -0.357 -0.964) 3.637 15.413 ( -0.935 0.204 -8.922) 8.973 15.537 ( -0.596 0.778 -6.930) 6.999 24.170 ( 0.008 -2.596 0.359) 2.621 24.185 ( 2.107 -0.488 -0.058) 2.164 24.277 ( 1.860 -4.105 0.990) 4.614 24.396 ( -1.203 4.099 0.015) 4.272 24.438 ( -2.008 1.442 0.768) 2.589 24.661 ( 1.573 -0.381 0.216) 1.633 24.729 ( 2.421 -3.701 -1.227) 4.589 24.836 ( -2.399 -3.014 -0.222) 3.858 24.927 ( 4.581 -2.436 -0.796) 5.249 24.982 ( -2.777 5.962 -1.117) 6.671 25.208 ( -3.193 -0.322 0.519) 3.251 25.306 ( 0.080 6.016 -0.961) 6.093 25.484 ( -2.394 1.587 0.876) 3.003 25.540 ( 0.863 -1.848 2.896) 3.542 25.692 ( 0.580 -0.979 2.525) 2.770 26.540 ( -12.395 23.474 -27.996) 38.581 27.305 ( 3.348 -8.554 -3.344) 9.776 27.548 ( 3.195 -4.503 -9.926) 11.358 28.526 ( -0.924 1.676 7.132) 7.384 28.571 ( -2.278 2.854 5.140) 6.305 28.595 ( -1.366 3.662 9.768) 10.521 28.696 ( -3.025 6.479 5.887) 9.262 28.853 ( 2.348 -4.126 1.849) 5.095 29.509 ( 11.846 -21.580 34.773) 42.605 ======================= Grid point 70 (20/50) ======================= q-point: (-0.33 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 8.924 12.439 -2.235) 15.471 1.148 ( -6.596 -3.486 6.672) 10.009 1.289 ( -0.669 -3.913 6.086) 7.266 1.416 ( 2.293 3.626 12.004) 12.748 1.460 ( -3.849 -0.135 8.544) 9.372 1.773 ( -4.445 8.251 29.061) 30.535 1.924 ( 0.596 11.098 7.420) 13.363 1.962 ( -10.274 -0.580 17.923) 20.667 2.084 ( 9.354 -5.887 24.627) 26.994 2.258 ( -0.482 0.584 5.024) 5.081 2.460 ( -3.476 -8.578 10.589) 14.064 2.484 ( -1.769 1.742 8.248) 8.614 2.639 ( 3.978 6.277 5.509) 9.251 2.726 ( -4.248 2.719 3.517) 6.149 2.770 ( 1.338 0.306 -0.772) 1.575 2.855 ( -0.240 0.542 2.115) 2.196 2.910 ( -2.333 0.774 0.514) 2.512 2.999 ( 1.199 -0.958 5.764) 5.965 3.101 ( -7.574 4.827 6.660) 11.181 3.196 ( -1.812 4.862 7.839) 9.401 3.204 ( -2.997 2.816 6.099) 7.356 3.241 ( 2.286 -1.565 1.093) 2.979 3.311 ( 3.078 -0.419 5.378) 6.211 3.363 ( 1.304 -0.109 1.870) 2.282 3.502 ( 6.191 -0.869 3.362) 7.098 3.516 ( -2.349 -2.289 0.838) 3.385 3.662 ( -2.706 5.206 -1.031) 5.957 3.732 ( 1.579 -9.962 1.167) 10.154 3.789 ( 4.530 1.560 7.644) 9.021 3.944 ( -3.629 -2.830 10.857) 11.792 4.038 ( 0.477 1.799 -5.324) 5.640 4.485 ( -1.433 12.918 -5.682) 14.185 4.643 ( 1.250 7.710 11.327) 13.759 4.792 ( 1.058 -0.555 -15.646) 15.692 4.934 ( -3.413 -5.468 -8.452) 10.630 4.998 ( 1.080 -4.205 3.837) 5.794 5.224 ( -0.351 5.827 -0.326) 5.847 5.374 ( -1.977 0.005 0.784) 2.127 5.447 ( 1.433 0.749 1.550) 2.240 5.550 ( -9.319 -1.016 -3.673) 10.068 5.635 ( -2.915 -1.824 -1.114) 3.615 5.699 ( 0.928 -8.122 -2.887) 8.669 5.724 ( 6.203 -6.351 0.709) 8.906 5.833 ( -0.138 -11.066 -3.828) 11.710 5.877 ( 4.276 3.301 -4.199) 6.842 5.964 ( 2.569 -2.832 2.461) 4.548 5.977 ( 1.094 -5.425 1.000) 5.624 6.084 ( 1.127 -4.331 1.182) 4.629 6.156 ( -3.471 1.562 -2.130) 4.362 6.268 ( 1.163 2.182 -3.223) 4.062 6.362 ( 4.530 -3.993 -3.117) 6.795 6.602 ( -2.714 10.011 -0.286) 10.376 6.729 ( -2.834 3.986 6.761) 8.345 6.784 ( -2.424 10.060 3.986) 11.089 6.875 ( -9.597 8.023 3.610) 13.019 6.990 ( 9.955 -6.287 3.246) 12.213 7.085 ( 22.447 3.472 2.569) 22.858 7.253 ( 10.530 -2.804 0.495) 10.908 7.446 ( -7.974 -10.383 -1.210) 13.148 7.546 ( -16.483 -12.829 3.037) 21.107 7.614 ( -11.479 8.889 -1.460) 14.592 8.036 ( 15.558 -6.214 -1.422) 16.814 8.314 ( -5.524 -13.021 -2.044) 14.291 8.634 ( 0.616 10.622 2.440) 10.916 8.762 ( -10.764 7.910 3.308) 13.762 8.993 ( 5.859 -1.810 0.371) 6.144 9.012 ( 9.623 14.926 -4.018) 18.207 9.088 ( -1.001 1.124 1.259) 1.962 9.116 ( -1.126 -2.433 0.198) 2.688 9.185 ( 4.868 -1.071 -0.656) 5.028 9.349 ( -14.808 5.655 -7.483) 17.529 9.679 ( 5.271 -9.303 -7.522) 13.074 9.969 ( 7.479 -1.088 1.907) 7.794 10.082 ( -2.684 -4.128 1.605) 5.179 10.105 ( -2.888 -8.209 0.885) 8.747 10.783 ( -3.628 5.710 -0.988) 6.837 10.798 ( 0.241 4.290 -1.895) 4.696 10.997 ( 4.205 -3.818 -0.460) 5.698 11.049 ( -0.072 -1.617 -4.036) 4.348 11.151 ( 0.595 -4.649 -0.977) 4.787 11.250 ( -0.496 1.320 0.376) 1.459 11.711 ( 4.292 8.241 9.152) 13.042 11.726 ( 1.836 7.405 11.215) 13.564 11.820 ( -0.331 2.356 9.593) 9.883 13.756 ( -0.219 -4.002 -2.268) 4.605 13.865 ( -0.311 -1.011 -2.217) 2.456 13.919 ( 0.110 -3.655 -1.509) 3.956 13.960 ( 0.205 -0.933 -1.939) 2.161 14.004 ( -0.220 -1.203 -4.001) 4.184 14.088 ( -2.873 -5.235 -3.418) 6.881 14.295 ( 1.302 4.778 -2.062) 5.365 14.361 ( -3.719 4.318 -4.581) 7.312 14.483 ( 4.825 0.687 -4.916) 6.922 14.568 ( -4.553 -1.268 -3.469) 5.862 14.619 ( 1.709 -2.238 -2.116) 3.522 14.670 ( 0.022 -1.500 -1.998) 2.499 14.975 ( -2.392 5.770 1.900) 6.529 15.132 ( 6.525 -0.010 0.357) 6.534 15.182 ( -0.183 -0.773 0.688) 1.051 15.262 ( -6.106 2.621 -10.655) 12.558 15.383 ( 4.373 -0.310 -10.518) 11.395 15.561 ( -4.112 -5.029 -8.945) 11.055 24.140 ( 1.581 -0.281 0.143) 1.613 24.168 ( -1.657 -1.341 0.460) 2.180 24.220 ( 0.762 -2.795 0.224) 2.906 24.434 ( 1.647 4.696 0.321) 4.987 24.520 ( -4.791 1.560 0.041) 5.039 24.609 ( 2.256 -3.977 -0.773) 4.637 24.667 ( 0.280 -2.358 0.134) 2.378 24.813 ( 3.673 -0.925 0.192) 3.792 24.859 ( -2.795 -4.131 -0.701) 5.036 25.087 ( -2.495 3.858 -0.075) 4.594 25.285 ( -1.807 1.167 1.007) 2.375 25.325 ( 2.258 5.120 -0.028) 5.596 25.500 ( 1.269 -1.082 1.741) 2.411 25.527 ( -1.281 -0.075 0.573) 1.405 25.676 ( -0.489 -2.002 1.721) 2.685 26.889 ( -8.095 12.230 -16.557) 22.119 27.158 ( 6.578 -4.657 -7.741) 11.175 27.457 ( 1.786 -2.742 -13.246) 13.644 28.554 ( -1.171 0.135 6.572) 6.677 28.618 ( 1.650 5.065 9.347) 10.758 28.663 ( -1.711 3.704 6.692) 7.838 28.740 ( 2.458 -2.287 1.394) 3.636 28.877 ( -8.478 2.940 13.374) 16.106 29.166 ( 8.864 -12.169 23.082) 27.558 ======================= Grid point 71 (21/50) ======================= q-point: (-0.17 0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -13.962 -1.593 -1.850) 14.174 1.219 ( 10.649 5.238 4.839) 12.816 1.246 ( 2.743 -4.520 5.892) 7.916 1.377 ( -6.201 2.655 11.866) 13.649 1.501 ( 2.809 -0.816 8.911) 9.378 1.774 ( -4.090 11.383 31.040) 33.313 1.805 ( -10.638 7.902 14.348) 19.531 2.032 ( -0.203 1.117 13.130) 13.179 2.120 ( 6.035 -6.654 19.330) 21.315 2.317 ( -1.898 -5.295 9.158) 10.748 2.394 ( 9.148 4.138 7.682) 12.642 2.465 ( -2.678 2.691 8.897) 9.673 2.638 ( -7.780 0.672 6.472) 10.143 2.722 ( 1.282 1.013 2.565) 3.042 2.781 ( -1.861 3.322 -3.012) 4.855 2.853 ( 1.797 -1.311 4.454) 4.979 2.939 ( 0.954 0.535 2.483) 2.713 2.988 ( -3.195 0.833 8.161) 8.804 3.077 ( 0.141 9.616 1.129) 9.683 3.190 ( -1.700 2.113 4.752) 5.471 3.203 ( -2.776 4.962 8.288) 10.051 3.244 ( 1.863 -3.281 4.897) 6.182 3.317 ( -0.343 -3.841 5.947) 7.088 3.391 ( -1.314 -0.016 1.432) 1.943 3.449 ( -0.686 -0.438 1.039) 1.320 3.592 ( 1.704 -1.098 -1.701) 2.646 3.626 ( -2.880 -2.698 2.208) 4.522 3.733 ( 9.375 -0.483 0.824) 9.424 3.794 ( -6.043 -5.552 6.069) 10.206 3.922 ( 2.816 3.867 11.247) 12.222 4.054 ( 0.279 -0.551 -3.283) 3.341 4.508 ( -10.691 7.903 1.884) 13.428 4.644 ( -6.235 1.722 -7.802) 10.135 4.694 ( -3.695 2.527 -2.594) 5.173 5.011 ( 9.615 -3.782 5.650) 11.776 5.040 ( 7.443 -4.956 -13.937) 16.560 5.235 ( -4.587 2.898 -0.016) 5.426 5.326 ( -3.480 2.221 2.346) 4.748 5.443 ( -1.591 5.360 0.808) 5.650 5.545 ( 3.900 6.968 2.240) 8.294 5.587 ( 2.826 -3.573 -3.143) 5.535 5.661 ( 1.626 -2.363 -5.576) 6.271 5.755 ( 2.060 -5.927 -3.675) 7.272 5.851 ( 11.102 -5.270 -1.020) 12.332 5.921 ( 1.299 -7.140 -0.596) 7.281 5.945 ( 1.488 -0.459 0.572) 1.659 6.019 ( 1.093 -7.372 0.306) 7.458 6.068 ( 8.909 -2.302 1.301) 9.293 6.195 ( 0.319 6.405 -1.769) 6.653 6.225 ( -3.727 -0.141 -3.543) 5.144 6.345 ( -1.885 -6.012 -2.792) 6.892 6.655 ( -4.753 9.079 0.472) 10.258 6.731 ( -2.377 11.078 5.537) 12.610 6.745 ( -6.559 -1.641 4.158) 7.938 6.858 ( -9.912 5.991 1.634) 11.697 6.999 ( -2.198 -6.156 3.341) 7.341 7.047 ( -4.012 -12.367 4.987) 13.925 7.235 ( -2.798 -9.790 0.281) 10.185 7.425 ( 9.121 2.550 -0.788) 9.504 7.603 ( -2.502 10.655 -0.340) 10.950 7.654 ( 23.923 4.242 1.143) 24.323 8.051 ( -4.555 -18.583 -1.576) 19.198 8.269 ( 12.661 1.984 -1.554) 12.909 8.636 ( -9.519 4.637 2.732) 10.935 8.757 ( -2.441 14.189 2.446) 14.604 8.919 ( -9.869 -1.312 -1.647) 10.091 9.089 ( -5.612 -4.709 -1.740) 7.529 9.095 ( 0.943 -0.706 1.084) 1.601 9.121 ( -0.626 -2.995 0.614) 3.121 9.173 ( -2.192 -2.142 -0.644) 3.132 9.380 ( 4.713 17.479 -7.401) 19.558 9.646 ( 3.145 -10.387 -7.919) 13.435 9.963 ( -3.460 -6.453 1.269) 7.431 10.082 ( 5.958 0.366 1.841) 6.247 10.118 ( 8.596 -2.555 1.597) 9.109 10.754 ( -4.146 4.799 -1.726) 6.573 10.864 ( 0.690 4.137 -2.134) 4.705 10.940 ( -4.669 -4.456 0.740) 6.497 11.067 ( 2.664 -2.095 -4.271) 5.453 11.117 ( 1.858 -1.442 -0.747) 2.468 11.280 ( 1.751 -0.737 -0.743) 2.040 11.694 ( -9.376 1.287 12.363) 15.570 11.768 ( -7.226 -1.057 7.998) 10.831 11.800 ( -1.428 3.386 10.284) 10.920 13.756 ( 3.738 -1.988 -1.766) 4.587 13.862 ( 0.664 0.132 -2.808) 2.888 13.916 ( 2.012 -1.184 -3.953) 4.591 13.939 ( 0.301 -0.285 0.091) 0.424 14.043 ( 2.396 -2.620 -4.375) 5.634 14.079 ( 6.695 0.596 -2.713) 7.248 14.284 ( -5.114 2.114 -2.169) 5.944 14.383 ( -1.464 5.814 -4.283) 7.369 14.455 ( -3.464 -3.339 -4.850) 6.831 14.582 ( 3.092 1.399 -2.995) 4.526 14.628 ( 2.167 -2.764 -2.677) 4.416 14.662 ( 0.643 -0.290 -1.935) 2.060 14.984 ( -3.435 4.954 1.775) 6.284 15.114 ( -2.289 -4.479 0.754) 5.086 15.195 ( -0.182 -1.327 0.254) 1.363 15.266 ( 0.378 6.454 -9.632) 11.600 15.376 ( -1.892 -3.843 -11.753) 12.509 15.560 ( 6.234 1.099 -8.660) 10.727 24.133 ( -0.288 -0.862 0.340) 0.970 24.189 ( 2.457 0.709 -0.189) 2.565 24.206 ( 1.262 -2.610 0.693) 2.981 24.438 ( -4.925 0.460 0.511) 4.973 24.509 ( 0.950 4.990 -0.243) 5.085 24.618 ( 2.668 -4.022 -0.288) 4.835 24.681 ( 3.544 -1.856 -0.361) 4.017 24.769 ( -2.457 -0.570 0.211) 2.531 24.885 ( 4.483 -1.806 -0.815) 4.901 25.114 ( 0.517 3.198 -0.077) 3.241 25.218 ( -5.787 3.150 0.997) 6.664 25.377 ( -1.806 -0.053 0.116) 1.810 25.498 ( 0.125 -1.588 1.745) 2.363 25.519 ( 0.148 1.599 0.585) 1.709 25.674 ( 1.952 -0.540 1.699) 2.643 26.909 ( -4.843 13.720 -17.000) 22.376 27.133 ( -1.376 -8.394 -7.459) 11.313 27.463 ( 1.975 -3.186 -12.948) 13.480 28.555 ( 0.612 1.028 6.856) 6.959 28.615 ( -5.120 1.342 8.878) 10.337 28.661 ( -2.521 3.090 6.174) 7.350 28.746 ( 0.910 -3.594 1.565) 4.024 28.888 ( 2.490 9.366 13.578) 16.682 29.155 ( 5.215 -14.016 23.333) 27.714 ======================= Grid point 76 (22/50) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -5.536 -11.072 -3.390) 12.835 1.030 ( 5.536 11.072 -3.390) 12.835 1.188 ( -0.000 0.000 8.348) 8.348 1.458 ( -0.363 -0.726 11.099) 11.128 1.458 ( 0.363 0.726 11.099) 11.128 1.924 ( -2.089 -4.178 26.008) 26.424 1.924 ( 2.089 4.178 26.008) 26.424 1.979 ( 0.000 0.000 20.279) 20.279 2.112 ( 0.000 0.000 16.692) 16.692 2.284 ( -1.283 -2.566 5.894) 6.555 2.284 ( 1.283 2.566 5.894) 6.555 2.491 ( -0.000 0.000 7.742) 7.742 2.739 ( 0.000 0.000 3.963) 3.963 2.767 ( -1.303 -2.606 5.028) 5.811 2.767 ( 1.303 2.606 5.028) 5.811 2.811 ( 0.000 0.000 -1.382) 1.382 2.971 ( -1.689 -3.378 -1.072) 3.926 2.971 ( 1.689 3.378 -1.072) 3.926 3.181 ( -1.201 -2.403 3.069) 4.078 3.181 ( 1.201 2.403 3.069) 4.078 3.219 ( 0.000 0.000 7.205) 7.205 3.294 ( -0.781 -1.562 7.591) 7.789 3.294 ( 0.781 1.562 7.591) 7.789 3.386 ( 0.000 0.000 -1.404) 1.404 3.505 ( -1.578 -3.156 0.325) 3.543 3.505 ( 1.578 3.156 0.325) 3.543 3.537 ( -0.000 0.000 8.195) 8.195 3.809 ( -1.891 -3.782 7.009) 8.186 3.809 ( 1.891 3.783 7.009) 8.186 3.845 ( -0.000 -0.000 8.295) 8.295 4.049 ( 0.000 0.000 -3.171) 3.171 4.732 ( -2.159 -4.319 -6.026) 7.722 4.732 ( 2.159 4.319 -6.026) 7.722 4.806 ( 0.000 0.000 -15.372) 15.372 4.840 ( -3.964 -7.929 4.945) 10.151 4.840 ( 3.964 7.929 4.945) 10.151 5.338 ( -1.738 -3.477 -0.485) 3.917 5.338 ( 1.738 3.477 -0.485) 3.917 5.474 ( 0.000 -0.000 1.812) 1.812 5.554 ( -0.862 -1.725 -2.500) 3.157 5.554 ( 0.862 1.725 -2.500) 3.157 5.668 ( 0.000 0.000 -1.952) 1.952 5.669 ( -1.290 -2.580 -0.923) 3.028 5.669 ( 1.290 2.580 -0.923) 3.028 5.907 ( -0.000 0.000 -4.430) 4.430 5.943 ( -1.567 -3.134 -1.776) 3.929 5.943 ( 1.567 3.134 -1.776) 3.929 5.965 ( 0.000 0.000 8.572) 8.572 6.238 ( -0.000 0.000 -4.756) 4.756 6.297 ( -1.461 -2.923 -4.268) 5.375 6.297 ( 1.461 2.923 -4.268) 5.375 6.785 ( -2.069 -4.139 4.122) 6.197 6.785 ( 2.069 4.139 4.122) 6.197 6.828 ( -0.000 0.000 8.012) 8.012 7.013 ( -0.000 0.000 -0.014) 0.014 7.101 ( 0.000 0.000 0.446) 0.446 7.116 ( -3.019 -6.038 1.657) 6.951 7.116 ( 3.019 6.038 1.657) 6.951 7.283 ( -3.551 -7.103 2.648) 8.371 7.283 ( 3.551 7.103 2.648) 8.371 7.834 ( 0.000 0.000 -1.479) 1.479 8.021 ( -3.770 -7.541 -1.517) 8.566 8.021 ( 3.770 7.541 -1.517) 8.566 8.837 ( -2.679 -5.358 2.506) 6.494 8.837 ( 2.679 5.358 2.506) 6.494 8.887 ( 0.000 0.000 3.882) 3.882 9.083 ( -0.233 -0.467 1.369) 1.466 9.083 ( 0.233 0.467 1.369) 1.466 9.129 ( 0.000 0.000 -0.984) 0.984 9.376 ( -0.000 0.000 -7.331) 7.331 9.450 ( -4.530 -9.059 -9.932) 14.186 9.450 ( 4.530 9.059 -9.932) 14.186 9.959 ( 0.000 0.000 1.184) 1.184 10.019 ( -0.712 -1.425 2.472) 2.941 10.019 ( 0.712 1.425 2.472) 2.941 10.865 ( 0.000 -0.000 -3.754) 3.754 10.887 ( -2.147 -4.294 -2.218) 5.289 10.887 ( 2.147 4.294 -2.218) 5.289 11.065 ( -1.524 -3.047 -0.382) 3.428 11.065 ( 1.524 3.047 -0.382) 3.428 11.266 ( 0.000 0.000 0.497) 0.497 11.806 ( -0.000 -0.000 13.221) 13.221 11.821 ( -0.716 -1.433 12.546) 12.648 11.821 ( 0.716 1.433 12.546) 12.648 13.707 ( 0.000 0.000 -2.294) 2.294 13.865 ( -0.585 -1.170 -1.671) 2.122 13.865 ( 0.585 1.170 -1.671) 2.122 13.971 ( 0.000 0.000 -0.973) 0.973 14.001 ( -0.554 -1.108 -5.593) 5.729 14.001 ( 0.554 1.108 -5.593) 5.729 14.395 ( -1.776 -3.551 -3.989) 5.628 14.395 ( 1.776 3.551 -3.989) 5.628 14.453 ( 0.000 0.000 -8.487) 8.487 14.577 ( -0.592 -1.183 -1.081) 1.708 14.577 ( 0.592 1.183 -1.081) 1.708 14.649 ( -0.000 0.000 -2.019) 2.019 15.051 ( 0.000 0.000 4.987) 4.987 15.149 ( -1.364 -2.728 1.576) 3.434 15.149 ( 1.364 2.728 1.576) 3.434 15.299 ( 0.000 0.000 -13.191) 13.191 15.443 ( -2.675 -5.351 -11.987) 13.397 15.443 ( 2.675 5.351 -11.987) 13.397 24.146 ( -0.531 -1.063 0.054) 1.189 24.146 ( 0.531 1.063 0.054) 1.189 24.193 ( -0.000 0.000 0.153) 0.153 24.514 ( 0.000 0.000 0.157) 0.157 24.539 ( -1.265 -2.530 -0.069) 2.829 24.539 ( 1.265 2.530 -0.069) 2.829 24.630 ( 0.000 0.000 -0.016) 0.016 24.808 ( -0.854 -1.707 0.286) 1.930 24.808 ( 0.854 1.707 0.286) 1.930 25.127 ( 0.000 0.000 -0.230) 0.230 25.345 ( -1.769 -3.538 0.595) 4.000 25.345 ( 1.769 3.538 0.595) 4.000 25.509 ( -0.666 -1.332 0.539) 1.584 25.509 ( 0.666 1.332 0.539) 1.584 25.647 ( 0.000 0.000 1.457) 1.457 27.066 ( -2.336 -4.673 -9.944) 11.233 27.066 ( 2.336 4.673 -9.944) 11.233 27.418 ( 0.000 0.000 -15.867) 15.867 28.556 ( -0.000 0.000 6.099) 6.099 28.688 ( -1.132 -2.265 2.206) 3.358 28.688 ( 1.132 2.265 2.206) 3.358 28.733 ( 0.000 0.000 17.901) 17.901 28.965 ( -3.074 -6.148 15.495) 16.951 28.965 ( 3.074 6.148 15.495) 16.951 ======================= Grid point 86 (23/50) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 0.000 -0.000 -9.241) 9.241 0.645 ( 0.000 0.000 -9.241) 9.241 1.105 ( -0.000 -0.000 25.226) 25.226 1.105 ( 0.000 0.000 25.226) 25.226 1.985 ( 0.000 0.000 3.385) 3.385 1.985 ( 0.000 -0.000 3.385) 3.385 2.158 ( 0.000 0.000 40.869) 40.869 2.162 ( 0.000 -0.000 -1.809) 1.809 2.162 ( 0.000 0.000 -1.809) 1.809 2.345 ( 0.000 0.000 48.711) 48.711 2.474 ( 0.000 -0.000 -8.158) 8.158 2.474 ( 0.000 0.000 -8.158) 8.158 2.569 ( 0.000 0.000 17.214) 17.214 2.772 ( -0.000 0.000 8.064) 8.064 2.995 ( 0.000 0.000 16.789) 16.789 3.019 ( -0.000 -0.000 6.596) 6.596 3.019 ( 0.000 -0.000 6.596) 6.596 3.079 ( 0.000 -0.000 14.819) 14.819 3.079 ( 0.000 0.000 14.819) 14.819 3.140 ( 0.000 -0.000 -1.714) 1.714 3.219 ( 0.000 0.000 7.966) 7.966 3.336 ( 0.000 -0.000 4.844) 4.844 3.336 ( 0.000 0.000 4.844) 4.844 3.477 ( 0.000 0.000 4.940) 4.940 3.721 ( 0.000 -0.000 8.398) 8.398 3.721 ( 0.000 0.000 8.398) 8.398 3.777 ( -0.000 0.000 3.380) 3.380 3.821 ( 0.000 0.000 3.634) 3.634 3.872 ( 0.000 -0.000 4.075) 4.075 3.872 ( 0.000 0.000 4.075) 4.075 4.201 ( 0.000 0.000 -0.206) 0.206 4.201 ( 0.000 0.000 -0.206) 0.206 4.455 ( 0.000 0.000 12.385) 12.385 4.769 ( 0.000 -0.000 -1.565) 1.565 4.769 ( 0.000 0.000 -1.565) 1.565 4.949 ( 0.000 -0.000 -25.701) 25.701 5.132 ( -0.000 0.000 1.258) 1.258 5.132 ( 0.000 0.000 1.258) 1.258 5.397 ( 0.000 -0.000 -2.647) 2.647 5.397 ( 0.000 -0.000 -2.647) 2.647 5.721 ( 0.000 -0.000 -17.072) 17.072 5.773 ( 0.000 -0.000 2.740) 2.740 5.773 ( 0.000 0.000 2.740) 2.740 5.808 ( 0.000 0.000 -3.290) 3.290 5.999 ( -0.000 0.000 -30.304) 30.304 6.099 ( -0.000 -0.000 1.989) 1.989 6.099 ( 0.000 0.000 1.989) 1.989 6.188 ( 0.000 0.000 3.337) 3.337 6.188 ( 0.000 0.000 3.337) 3.337 6.488 ( -0.000 0.000 8.968) 8.968 6.731 ( 0.000 -0.000 -1.097) 1.097 6.731 ( 0.000 -0.000 -1.097) 1.097 6.752 ( -0.000 0.000 7.507) 7.507 6.843 ( 0.000 -0.000 -0.907) 0.907 6.843 ( 0.000 0.000 -0.907) 0.907 6.961 ( 0.000 0.000 0.792) 0.792 7.283 ( 0.000 0.000 -7.054) 7.054 7.389 ( 0.000 0.000 -7.343) 7.343 7.741 ( 0.000 -0.000 1.317) 1.317 7.741 ( 0.000 0.000 1.317) 1.317 7.769 ( -0.000 0.000 1.214) 1.214 7.769 ( 0.000 -0.000 1.214) 1.214 7.787 ( 0.000 0.000 4.045) 4.045 8.311 ( 0.000 -0.000 3.317) 3.317 8.447 ( 0.000 -0.000 9.137) 9.137 9.061 ( 0.000 -0.000 0.850) 0.850 9.061 ( -0.000 0.000 0.850) 0.850 9.154 ( 0.000 0.000 -0.835) 0.835 9.154 ( 0.000 0.000 -0.835) 0.835 9.182 ( 0.000 -0.000 0.369) 0.369 9.182 ( 0.000 0.000 0.369) 0.369 10.188 ( 0.000 -0.000 3.535) 3.535 10.188 ( 0.000 0.000 3.535) 3.535 10.384 ( 0.000 0.000 1.897) 1.897 10.493 ( 0.000 0.000 7.855) 7.855 10.581 ( 0.000 -0.000 -2.327) 2.327 10.581 ( 0.000 0.000 -2.327) 2.327 10.841 ( -0.000 0.000 -6.276) 6.276 11.171 ( -0.000 -0.000 2.172) 2.172 11.171 ( 0.000 0.000 2.172) 2.172 11.271 ( 0.000 -0.000 0.971) 0.971 11.271 ( 0.000 0.000 0.971) 0.971 11.522 ( 0.000 0.000 -6.949) 6.949 11.572 ( 0.000 0.000 -8.126) 8.126 13.758 ( 0.000 -0.000 -6.442) 6.442 13.758 ( 0.000 0.000 -6.442) 6.442 13.967 ( 0.000 -0.000 -5.879) 5.879 13.967 ( -0.000 -0.000 -5.879) 5.879 14.118 ( -0.000 0.000 1.534) 1.534 14.161 ( 0.000 -0.000 0.560) 0.560 14.204 ( -0.000 0.000 0.313) 0.313 14.204 ( 0.000 0.000 0.313) 0.313 14.366 ( 0.000 0.000 -0.233) 0.233 14.366 ( -0.000 0.000 -0.233) 0.233 14.571 ( 0.000 0.000 -11.101) 11.101 14.796 ( -0.000 0.000 0.419) 0.419 14.838 ( 0.000 0.000 0.118) 0.118 15.208 ( 0.000 -0.000 -4.986) 4.986 15.208 ( -0.000 0.000 -4.986) 4.986 15.242 ( 0.000 -0.000 -4.791) 4.791 15.242 ( 0.000 0.000 -4.791) 4.791 15.398 ( 0.000 0.000 3.976) 3.976 24.261 ( 0.000 -0.000 -0.286) 0.286 24.261 ( 0.000 0.000 -0.286) 0.286 24.269 ( 0.000 0.000 -0.114) 0.114 24.269 ( -0.000 -0.000 -0.114) 0.114 24.636 ( 0.000 -0.000 2.504) 2.504 24.666 ( 0.000 -0.000 0.108) 0.108 24.666 ( -0.000 0.000 0.108) 0.108 24.868 ( 0.000 0.000 -0.097) 0.097 24.962 ( 0.000 -0.000 -1.064) 1.064 24.962 ( -0.000 0.000 -1.064) 1.064 25.119 ( 0.000 -0.000 -1.854) 1.854 25.119 ( 0.000 0.000 -1.854) 1.854 25.444 ( -0.000 -0.000 1.258) 1.258 25.444 ( -0.000 0.000 1.258) 1.258 25.668 ( 0.000 0.000 5.585) 5.585 25.810 ( 0.000 0.000 5.581) 5.581 27.435 ( 0.000 0.000 -7.241) 7.241 27.533 ( 0.000 0.000 -7.709) 7.709 28.624 ( 0.000 -0.000 7.338) 7.338 28.624 ( 0.000 0.000 7.338) 7.338 28.666 ( 0.000 -0.000 7.574) 7.574 28.666 ( 0.000 -0.000 7.574) 7.574 28.993 ( 0.000 -0.000 1.665) 1.665 30.629 ( 0.000 0.000 0.281) 0.281 ======================= Grid point 87 (24/50) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -2.158 10.263 -8.010) 13.197 0.881 ( 16.631 1.630 -8.960) 18.961 1.301 ( 14.634 10.014 21.207) 27.643 1.423 ( 20.049 9.288 18.469) 28.798 1.737 ( -12.384 -6.202 12.221) 18.471 1.947 ( -6.149 -1.646 3.922) 7.477 2.128 ( -4.082 2.783 3.471) 6.038 2.175 ( 6.651 -7.196 7.881) 12.574 2.281 ( 1.363 6.293 22.408) 23.315 2.417 ( 3.923 3.739 5.579) 7.778 2.472 ( 5.607 1.566 22.647) 23.383 2.566 ( 6.401 1.228 8.948) 11.071 2.650 ( 6.211 1.481 2.230) 6.763 2.775 ( -0.864 0.165 8.544) 8.589 2.962 ( -3.238 -3.627 9.015) 10.243 2.984 ( -0.010 -0.656 11.772) 11.790 3.040 ( -4.012 3.709 9.313) 10.798 3.062 ( 2.415 2.809 7.807) 8.641 3.110 ( 2.125 2.437 9.767) 10.288 3.197 ( 3.180 0.088 4.164) 5.240 3.229 ( 3.495 0.386 12.733) 13.209 3.351 ( 1.460 -0.037 6.572) 6.732 3.420 ( 3.937 1.352 3.051) 5.161 3.467 ( -0.307 -0.209 4.619) 4.634 3.589 ( -6.870 -2.760 3.943) 8.388 3.676 ( -4.087 -0.523 5.643) 6.988 3.715 ( -1.397 -2.520 0.529) 2.930 3.841 ( -0.859 -1.416 9.152) 9.301 3.912 ( 3.766 -3.736 6.476) 8.371 3.969 ( 3.599 3.228 5.444) 7.281 4.116 ( -2.438 2.520 3.677) 5.081 4.290 ( 3.538 0.447 -2.096) 4.137 4.469 ( 1.037 -1.803 4.909) 5.331 4.746 ( -1.051 0.525 -4.999) 5.135 4.786 ( 0.225 4.390 0.642) 4.443 4.973 ( 0.438 -0.242 -10.781) 10.793 5.116 ( 2.255 2.765 -4.485) 5.731 5.163 ( 3.842 -5.243 0.180) 6.502 5.411 ( 2.571 3.893 -1.503) 4.902 5.507 ( 7.781 3.268 -3.459) 9.121 5.675 ( -4.288 -0.332 -2.121) 4.795 5.718 ( -5.933 -0.275 -0.726) 5.984 5.742 ( -1.761 -4.808 -8.340) 9.786 5.853 ( 1.778 2.538 -1.080) 3.282 6.010 ( 1.934 2.746 -7.966) 8.645 6.064 ( -2.893 -1.481 -1.843) 3.737 6.128 ( 1.895 -2.059 0.231) 2.808 6.220 ( 1.693 4.577 -3.800) 6.185 6.302 ( 3.362 7.624 -6.171) 10.369 6.389 ( -5.778 -5.749 4.371) 9.249 6.531 ( -9.365 -6.503 1.102) 11.455 6.581 ( -12.063 -6.515 0.695) 13.728 6.660 ( -10.449 -3.454 0.128) 11.006 6.813 ( 2.679 2.980 3.448) 5.287 6.849 ( -4.228 -1.588 4.662) 6.491 7.059 ( 7.390 4.656 1.403) 8.847 7.228 ( -3.516 -10.107 -3.657) 11.309 7.393 ( 4.848 -1.114 -3.936) 6.343 7.542 ( -7.415 -3.926 1.641) 8.549 7.644 ( -9.371 -5.698 6.608) 12.804 7.654 ( -3.145 5.097 -3.130) 6.758 8.018 ( 12.706 4.055 0.406) 13.344 8.122 ( 12.781 10.646 -2.446) 16.813 8.384 ( 6.557 2.853 2.802) 7.680 8.424 ( 2.739 0.917 5.481) 6.195 8.983 ( -7.852 -3.860 -1.648) 8.903 9.023 ( -5.340 -2.232 -0.930) 5.862 9.083 ( 0.211 -2.745 0.762) 2.856 9.153 ( 1.159 2.348 0.583) 2.682 9.204 ( -0.643 0.289 0.053) 0.707 9.242 ( 1.957 -0.161 0.397) 2.003 10.140 ( -9.520 -2.672 2.040) 10.096 10.196 ( -3.529 2.650 6.181) 7.595 10.241 ( -5.827 -6.596 -1.947) 9.014 10.373 ( -7.088 -3.323 4.231) 8.899 10.589 ( 3.961 3.248 3.205) 6.042 10.669 ( 3.605 1.121 -0.370) 3.793 10.893 ( 4.232 -2.028 -5.862) 7.509 11.129 ( -2.083 0.147 -0.355) 2.118 11.184 ( -5.233 -2.923 -3.678) 7.032 11.249 ( 4.464 0.922 0.833) 4.634 11.372 ( 8.528 2.629 -2.816) 9.357 11.576 ( 3.938 -1.623 -2.551) 4.965 11.671 ( 9.868 2.012 -0.478) 10.082 13.738 ( -1.007 0.020 -6.103) 6.186 13.770 ( -0.110 1.845 -7.176) 7.410 13.943 ( -1.868 -1.673 -4.202) 4.893 14.011 ( 0.209 2.489 -3.358) 4.185 14.096 ( 2.742 -2.646 -0.843) 3.903 14.117 ( -1.518 -1.454 0.622) 2.192 14.198 ( -0.672 4.265 1.003) 4.432 14.237 ( -1.736 0.496 1.479) 2.334 14.352 ( 2.142 -1.734 -1.325) 3.058 14.438 ( 2.346 4.054 -1.416) 4.893 14.637 ( 3.195 2.195 -10.986) 11.650 14.743 ( -5.906 -3.131 -1.424) 6.834 14.745 ( -3.612 -1.604 -3.227) 5.102 15.122 ( -3.781 -7.073 -0.660) 8.047 15.142 ( -1.137 -6.367 -3.106) 7.175 15.284 ( -0.087 5.829 -5.265) 7.855 15.286 ( -0.293 5.064 -1.097) 5.190 15.423 ( 1.871 1.889 -2.392) 3.577 24.207 ( -2.335 -1.312 0.171) 2.683 24.229 ( -1.580 0.603 0.358) 1.729 24.316 ( 2.385 -0.122 -0.639) 2.472 24.322 ( 2.311 1.459 -0.392) 2.761 24.529 ( -6.558 -1.638 3.763) 7.736 24.673 ( 0.302 0.822 -0.057) 0.877 24.761 ( -4.438 -3.343 -1.773) 5.833 24.784 ( 6.699 2.732 0.605) 7.260 24.929 ( -2.550 0.620 -1.522) 3.034 24.984 ( -1.304 0.829 -1.297) 2.018 25.158 ( 5.099 -1.660 -0.773) 5.418 25.192 ( 3.413 4.917 -1.387) 6.144 25.473 ( 2.125 0.703 0.808) 2.379 25.655 ( -0.664 0.055 5.062) 5.106 25.730 ( 21.587 10.467 -5.981) 24.725 25.794 ( -1.278 -0.580 5.023) 5.215 27.324 ( -8.326 -5.521 -7.414) 12.440 27.450 ( -6.433 -4.312 -8.681) 11.634 28.616 ( 0.643 -1.038 6.171) 6.291 28.656 ( 4.004 -1.468 7.198) 8.366 28.703 ( 1.491 4.490 8.424) 9.662 28.779 ( 7.522 5.754 8.815) 12.938 28.954 ( -2.866 -1.480 1.960) 3.775 30.368 ( -19.589 -11.284 9.837) 24.654 ======================= Grid point 88 (25/50) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -1.440 8.017 0.847) 8.189 1.153 ( 10.649 2.841 -7.768) 13.484 1.485 ( -6.084 -1.108 11.218) 12.810 1.631 ( 6.094 1.860 16.784) 17.953 1.734 ( 3.735 3.596 13.279) 14.256 1.831 ( 2.925 -3.116 3.914) 5.795 2.153 ( 3.497 1.127 10.104) 10.751 2.202 ( 5.049 -6.564 9.766) 12.805 2.354 ( 1.209 6.841 15.477) 16.965 2.497 ( 2.185 0.035 -3.816) 4.397 2.573 ( 0.434 -0.151 8.301) 8.314 2.708 ( -0.030 -0.021 6.810) 6.811 2.733 ( 2.435 1.588 8.445) 8.932 2.835 ( 12.010 6.072 19.660) 23.825 2.874 ( -3.523 1.508 11.459) 12.082 2.994 ( 0.354 0.443 8.211) 8.231 3.043 ( -2.200 7.052 6.698) 9.971 3.118 ( 0.027 2.430 3.926) 4.617 3.184 ( 4.152 2.472 6.910) 8.432 3.255 ( 4.742 0.001 7.631) 8.985 3.315 ( 2.765 -0.829 8.448) 8.928 3.349 ( 0.261 -3.053 11.135) 11.548 3.417 ( 0.442 -2.730 8.220) 8.673 3.466 ( -4.975 1.249 2.556) 5.731 3.517 ( 2.693 2.151 0.612) 3.501 3.573 ( -4.138 -4.190 -0.353) 5.899 3.740 ( -2.433 -1.291 9.163) 9.569 3.819 ( 6.845 0.948 3.666) 7.823 3.884 ( -2.390 -6.687 7.401) 10.257 3.966 ( -2.785 1.185 5.882) 6.615 4.194 ( 4.317 2.393 13.143) 14.040 4.329 ( 2.772 -4.362 -7.049) 8.741 4.421 ( -2.864 -0.812 -4.633) 5.507 4.789 ( 0.505 6.470 -7.433) 9.868 4.856 ( 1.861 3.830 7.514) 8.636 4.990 ( 4.209 -2.156 -1.692) 5.022 5.169 ( 2.940 -3.329 1.640) 4.734 5.247 ( 6.536 3.908 -6.902) 10.278 5.535 ( 2.343 5.134 -0.869) 5.710 5.562 ( -6.695 -2.452 -1.694) 7.328 5.592 ( -2.252 0.380 -6.039) 6.456 5.644 ( 0.571 -5.796 -9.825) 11.421 5.715 ( 3.524 5.076 1.217) 6.298 5.855 ( -3.381 2.767 1.248) 4.543 5.967 ( -0.588 -4.145 -1.284) 4.379 6.052 ( -3.942 -3.660 0.030) 5.379 6.131 ( -4.713 11.052 2.435) 12.259 6.181 ( -9.825 -0.800 -1.131) 9.922 6.212 ( -5.975 -5.766 1.634) 8.463 6.274 ( -4.118 -7.558 -1.569) 8.749 6.425 ( -7.398 5.144 -5.104) 10.356 6.463 ( 0.900 3.990 -4.005) 5.724 6.623 ( 8.214 7.232 0.522) 10.957 6.765 ( 4.646 -8.033 3.961) 10.090 6.863 ( 0.099 -5.718 5.319) 7.811 7.037 ( -4.525 -2.627 1.066) 5.339 7.205 ( -5.123 -2.271 2.612) 6.182 7.378 ( 2.996 5.416 2.560) 6.698 7.438 ( -5.284 -1.474 1.289) 5.635 7.523 ( 2.131 -2.426 1.196) 3.444 7.698 ( 2.375 3.180 -7.922) 8.861 8.142 ( -9.304 -4.450 -1.828) 10.474 8.276 ( 8.244 3.287 -1.407) 8.986 8.495 ( 5.186 -0.578 1.549) 5.443 8.635 ( 13.220 4.374 3.111) 14.268 8.898 ( -5.836 0.091 -0.478) 5.857 8.975 ( 4.058 4.533 -4.918) 7.823 9.085 ( 1.602 -0.951 0.275) 1.883 9.116 ( -0.690 1.427 0.369) 1.628 9.186 ( -2.020 -2.319 -0.121) 3.078 9.232 ( -1.206 -2.343 0.759) 2.742 9.803 ( -18.550 -6.706 -5.729) 20.540 10.084 ( -6.619 -5.339 4.981) 9.856 10.188 ( -0.810 1.996 2.728) 3.476 10.249 ( -3.932 -1.055 1.431) 4.315 10.686 ( 0.435 -1.780 -2.677) 3.244 10.724 ( 3.980 4.346 2.902) 6.569 10.932 ( 3.711 -4.216 -3.104) 6.418 11.034 ( -5.853 -0.551 -4.313) 7.291 11.172 ( 1.224 3.028 -1.999) 3.829 11.308 ( -0.536 3.338 3.588) 4.930 11.528 ( 10.757 -7.247 -2.179) 13.152 11.614 ( 6.215 -8.094 1.494) 10.313 11.863 ( 10.050 -0.849 7.026) 12.292 13.735 ( -0.703 2.427 -5.379) 5.943 13.793 ( -0.338 2.780 -7.167) 7.695 13.879 ( -3.034 0.237 -5.173) 6.001 14.025 ( -1.576 1.598 1.892) 2.935 14.069 ( -1.801 -0.113 1.780) 2.534 14.166 ( -5.063 2.764 1.797) 6.041 14.175 ( 5.104 -0.867 -3.823) 6.436 14.262 ( 2.023 3.359 0.133) 3.923 14.360 ( -0.059 -2.218 -3.449) 4.101 14.503 ( 1.252 2.090 -4.534) 5.147 14.606 ( -3.989 -2.029 -3.003) 5.389 14.640 ( -1.830 -2.274 -2.781) 4.032 14.756 ( 4.000 0.662 -10.970) 11.695 15.033 ( -2.399 -7.724 -3.826) 8.947 15.069 ( 0.736 -0.738 -3.821) 3.961 15.302 ( -1.905 3.650 1.688) 4.450 15.316 ( -1.942 3.900 -3.093) 5.343 15.492 ( 0.573 5.812 -6.457) 8.707 24.163 ( -1.590 -0.552 0.666) 1.810 24.226 ( -0.731 2.857 1.024) 3.122 24.312 ( -2.992 -0.981 1.226) 3.379 24.358 ( 1.744 -0.468 -0.168) 1.813 24.477 ( 1.958 0.475 0.763) 2.154 24.642 ( -4.086 -2.689 -2.527) 5.505 24.706 ( 0.360 1.143 0.160) 1.209 24.801 ( -1.232 -4.856 0.220) 5.015 24.904 ( -2.182 1.807 -1.742) 3.326 25.081 ( 4.075 9.707 1.192) 10.595 25.212 ( 3.713 -3.602 0.405) 5.188 25.303 ( 3.789 5.148 0.428) 6.406 25.519 ( 1.991 0.310 0.392) 2.053 25.612 ( -3.794 -0.640 4.248) 5.731 25.761 ( -1.128 -0.387 3.813) 3.995 26.244 ( 23.290 9.663 -12.755) 28.258 27.078 ( -11.697 -8.897 -9.406) 17.448 27.278 ( -5.971 -5.412 -10.451) 13.197 28.635 ( 2.183 0.193 4.586) 5.083 28.706 ( 5.308 -5.316 9.071) 11.778 28.778 ( -0.701 7.563 7.419) 10.618 28.834 ( -3.781 -2.545 2.863) 5.383 29.062 ( 12.338 8.820 11.996) 19.337 29.884 ( -21.041 -11.789 17.142) 29.590 ======================= Grid point 89 (26/50) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -2.766 4.683 5.414) 7.673 1.249 ( -1.388 0.163 -4.976) 5.169 1.462 ( 1.441 4.103 7.505) 8.674 1.650 ( 2.004 -2.106 15.883) 16.146 1.703 ( -1.692 0.375 7.401) 7.601 1.950 ( 4.053 -5.485 9.590) 11.768 2.130 ( -3.247 -8.247 4.946) 10.150 2.276 ( 6.957 -1.256 15.737) 17.251 2.465 ( 3.019 4.371 14.514) 15.456 2.472 ( -0.478 -0.984 8.049) 8.123 2.560 ( -1.873 -1.958 4.307) 5.088 2.637 ( -1.397 -2.338 4.718) 5.447 2.729 ( -4.185 -0.549 2.154) 4.739 2.886 ( 2.115 1.316 9.515) 9.836 3.004 ( 0.993 4.221 12.248) 12.993 3.043 ( -2.192 5.649 8.854) 10.728 3.078 ( -3.458 6.505 7.436) 10.468 3.122 ( -0.385 0.244 5.715) 5.733 3.251 ( -0.838 -1.483 6.817) 7.026 3.313 ( -0.185 -0.451 4.630) 4.655 3.325 ( -4.066 1.840 1.707) 4.778 3.356 ( 2.069 -0.217 9.706) 9.926 3.389 ( 3.181 0.221 7.727) 8.359 3.420 ( 1.263 -1.799 8.681) 8.955 3.491 ( 3.167 -1.619 1.463) 3.846 3.632 ( -3.216 -0.370 9.746) 10.270 3.649 ( -2.099 -6.122 4.631) 7.959 3.751 ( 2.803 -1.936 7.311) 8.066 3.935 ( -2.621 2.927 5.312) 6.607 3.971 ( 6.130 -1.748 4.739) 7.943 4.232 ( -0.242 -3.952 8.907) 9.747 4.290 ( 0.831 -3.711 -7.418) 8.336 4.435 ( 1.683 2.780 0.164) 3.254 4.834 ( -4.580 7.233 -15.413) 17.631 4.866 ( -0.607 -2.850 11.884) 12.236 5.047 ( 4.837 -5.313 -0.255) 7.190 5.199 ( 0.350 1.704 3.410) 3.828 5.381 ( -4.716 -4.667 -1.697) 6.848 5.397 ( 4.704 2.899 -5.036) 7.476 5.533 ( 0.209 1.305 -6.952) 7.077 5.601 ( 2.305 -0.221 -3.610) 4.289 5.699 ( -6.952 2.547 -3.981) 8.406 5.752 ( 0.536 1.214 -4.737) 4.919 5.841 ( -3.067 3.621 2.793) 5.506 5.939 ( -1.036 4.236 1.298) 4.550 5.986 ( 1.622 2.006 1.222) 2.854 6.042 ( -2.726 -1.238 -0.044) 2.994 6.071 ( -0.895 -4.345 -0.614) 4.479 6.168 ( 3.885 -2.416 0.214) 4.580 6.262 ( 1.677 9.643 2.326) 10.061 6.332 ( -6.961 3.658 -0.348) 7.871 6.538 ( 3.272 -0.919 -3.202) 4.669 6.659 ( -1.228 -7.331 -2.353) 7.796 6.813 ( 1.296 -0.191 5.373) 5.530 6.928 ( -8.425 -4.990 1.230) 9.869 6.987 ( 8.929 6.495 3.412) 11.557 7.115 ( 2.322 3.703 4.894) 6.562 7.231 ( -4.653 0.444 3.276) 5.708 7.506 ( -2.330 -1.457 -2.060) 3.435 7.681 ( -4.665 -2.834 -1.810) 5.751 7.740 ( 10.239 2.298 -2.656) 10.825 7.880 ( -1.891 -1.375 -4.748) 5.293 8.408 ( 0.412 1.535 -2.094) 2.628 8.520 ( 2.466 -4.634 -0.528) 5.276 8.829 ( -5.595 0.664 2.819) 6.300 8.894 ( 4.142 -1.342 2.061) 4.818 8.908 ( 0.676 0.260 1.746) 1.890 9.098 ( 0.829 -2.086 -0.936) 2.432 9.132 ( -1.442 -0.871 0.469) 1.749 9.154 ( 0.041 0.928 1.151) 1.479 9.393 ( 14.058 11.242 -7.428) 19.472 9.439 ( -15.367 -6.292 -8.800) 18.793 9.973 ( -0.295 -0.884 4.871) 4.960 10.202 ( -1.398 0.281 0.676) 1.578 10.215 ( 1.270 1.737 1.151) 2.440 10.676 ( 1.886 -2.058 -4.742) 5.503 10.795 ( -0.096 1.143 1.786) 2.123 10.910 ( -1.352 -4.299 -1.513) 4.754 10.988 ( 0.562 2.222 -4.779) 5.300 11.217 ( -1.853 5.477 3.210) 6.613 11.298 ( -2.676 0.997 2.225) 3.620 11.584 ( 7.244 -12.790 1.960) 14.829 11.641 ( 7.651 -9.808 0.790) 12.464 11.950 ( 3.095 -5.936 9.844) 11.904 13.750 ( -0.746 2.209 -4.992) 5.510 13.799 ( -2.163 2.587 -5.867) 6.768 13.855 ( -2.299 3.936 -6.583) 8.007 13.997 ( -1.648 0.995 3.703) 4.174 14.056 ( -0.111 0.465 1.165) 1.260 14.134 ( -2.581 4.618 -1.191) 5.423 14.250 ( 3.273 -0.884 1.343) 3.647 14.300 ( -2.219 -1.636 -3.956) 4.822 14.323 ( -0.165 1.757 -3.961) 4.336 14.532 ( 0.576 -0.174 -4.423) 4.463 14.549 ( 0.700 -1.129 -4.881) 5.058 14.612 ( 0.408 -0.125 -4.953) 4.972 14.859 ( 1.536 -3.949 -5.723) 7.120 14.922 ( 3.654 -3.287 -6.212) 7.921 15.075 ( -0.269 -1.047 -6.630) 6.718 15.286 ( -4.244 3.542 0.655) 5.566 15.331 ( -1.558 5.667 -1.046) 5.970 15.528 ( -2.697 4.553 -6.788) 8.607 24.148 ( -0.247 0.952 0.910) 1.340 24.242 ( -2.281 -0.482 2.104) 3.141 24.262 ( -0.483 4.302 0.973) 4.437 24.377 ( 1.890 -1.951 0.329) 2.736 24.541 ( -2.781 -2.594 -1.710) 4.169 24.554 ( 3.776 0.947 -1.923) 4.342 24.727 ( 0.458 -1.527 0.125) 1.600 24.748 ( -0.567 1.186 0.583) 1.438 24.890 ( -0.689 0.722 -1.695) 1.967 25.190 ( -2.034 -1.116 1.126) 2.579 25.210 ( 0.237 4.272 1.484) 4.529 25.402 ( -0.035 1.714 3.315) 3.732 25.519 ( 0.335 -0.370 1.309) 1.401 25.553 ( -1.382 -0.163 1.394) 1.970 25.753 ( -0.220 0.606 3.119) 3.185 26.644 ( 5.106 -0.549 -12.297) 13.327 26.780 ( -2.449 -4.824 -12.089) 13.244 27.199 ( 1.712 -1.705 -11.363) 11.617 28.677 ( 0.633 -0.144 3.587) 3.645 28.727 ( 3.870 -6.686 9.896) 12.554 28.752 ( -0.655 -0.939 3.231) 3.428 28.820 ( -3.166 6.435 6.855) 9.921 29.372 ( 1.302 1.855 16.482) 16.637 29.487 ( -2.100 -0.283 15.575) 15.719 ======================= Grid point 91 (27/50) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -6.405 5.397 -1.333) 8.481 1.138 ( -6.871 -7.629 -6.432) 12.116 1.551 ( 1.601 3.647 11.428) 12.103 1.664 ( -5.985 -1.111 14.283) 15.526 1.742 ( 7.674 -1.182 7.106) 10.526 1.823 ( -5.468 -4.919 18.589) 19.992 1.957 ( -6.416 -5.676 6.993) 11.058 2.318 ( -0.232 -3.065 1.682) 3.504 2.418 ( -3.346 -1.228 11.517) 12.056 2.480 ( -1.832 -2.578 7.886) 8.497 2.559 ( 1.966 -0.479 4.954) 5.351 2.643 ( 0.833 -1.756 3.923) 4.378 2.705 ( 1.539 2.651 9.224) 9.720 2.830 ( -11.053 -4.902 21.446) 24.620 2.964 ( -6.962 1.859 11.176) 13.298 3.038 ( -2.955 4.977 10.840) 12.289 3.060 ( -1.096 -1.197 3.664) 4.007 3.102 ( -1.362 0.378 8.404) 8.522 3.130 ( -5.097 -0.547 7.727) 9.273 3.231 ( -1.703 -5.762 7.802) 9.848 3.306 ( -1.488 -2.896 8.946) 9.520 3.378 ( 2.577 -1.092 4.535) 5.330 3.440 ( 0.464 0.683 8.181) 8.223 3.478 ( 1.753 3.234 3.245) 4.905 3.505 ( -0.564 -3.997 0.783) 4.112 3.602 ( -0.965 2.970 9.628) 10.122 3.609 ( 6.660 0.696 0.628) 6.726 3.862 ( 5.591 -1.313 7.033) 9.080 3.921 ( -1.097 -2.854 5.693) 6.462 3.986 ( 0.071 1.303 1.366) 1.890 4.179 ( -3.114 -1.823 10.099) 10.725 4.268 ( 0.775 -2.925 -4.725) 5.611 4.497 ( 2.790 0.110 2.923) 4.042 4.762 ( -4.599 0.044 3.107) 5.550 4.849 ( -3.678 4.607 -12.367) 13.701 5.015 ( -1.145 -6.219 -2.349) 6.746 5.138 ( -3.500 -4.072 -0.481) 5.391 5.301 ( -0.775 -6.200 2.651) 6.787 5.496 ( 0.119 2.674 -8.224) 8.648 5.549 ( -5.379 5.293 2.840) 8.064 5.602 ( -0.497 -1.403 -1.835) 2.363 5.640 ( 0.477 1.483 -6.003) 6.202 5.717 ( 2.439 2.353 -2.304) 4.098 5.853 ( 0.533 0.603 -1.024) 1.302 5.989 ( 4.534 2.049 -1.175) 5.112 6.043 ( 0.600 -2.257 0.022) 2.335 6.112 ( 1.467 0.043 -3.045) 3.380 6.185 ( 12.168 9.206 1.680) 15.350 6.213 ( -6.440 8.809 -4.618) 11.849 6.268 ( 8.372 3.017 0.461) 8.911 6.441 ( -3.847 0.441 -3.491) 5.214 6.476 ( 1.269 3.687 1.909) 4.341 6.629 ( -7.587 -3.905 -0.430) 8.544 6.732 ( 7.264 -4.778 3.983) 9.563 6.861 ( 2.337 2.450 4.898) 5.954 7.082 ( -1.071 3.379 2.143) 4.142 7.174 ( -0.402 0.738 -0.142) 0.852 7.375 ( 3.286 4.303 4.596) 7.102 7.446 ( -3.655 -3.268 -0.695) 4.952 7.456 ( 4.418 -0.059 -0.191) 4.422 7.773 ( 1.149 -6.887 -5.311) 8.773 8.132 ( 9.680 5.648 -2.241) 11.429 8.289 ( -11.621 -0.821 -1.564) 11.755 8.501 ( -2.411 -3.688 1.267) 4.585 8.602 ( -10.206 -8.918 3.527) 14.005 8.880 ( 1.912 5.127 0.065) 5.472 9.000 ( -4.551 -3.110 -5.473) 7.767 9.091 ( -0.587 -1.540 0.388) 1.693 9.111 ( 4.870 -0.556 0.764) 4.961 9.204 ( 2.125 1.601 0.948) 2.824 9.233 ( -1.986 -0.477 -1.240) 2.389 9.779 ( 15.459 13.532 -4.501) 21.032 10.072 ( 8.205 4.299 5.738) 10.897 10.201 ( -0.084 2.111 2.399) 3.197 10.257 ( 2.377 0.471 0.362) 2.450 10.684 ( -3.573 0.629 0.832) 3.722 10.752 ( -0.721 -3.561 -1.417) 3.900 10.860 ( 0.765 -3.071 -1.841) 3.662 11.060 ( 2.890 4.805 -5.192) 7.641 11.207 ( -3.562 2.987 3.333) 5.720 11.255 ( -1.122 -2.783 -2.051) 3.635 11.532 ( 1.443 -12.807 -0.898) 12.919 11.660 ( 4.159 -8.074 0.254) 9.086 11.848 ( -5.331 -9.414 7.688) 13.272 13.746 ( -0.677 0.051 -7.126) 7.158 13.779 ( -3.293 3.528 -5.791) 7.538 13.890 ( 1.544 4.773 -2.012) 5.405 13.988 ( -0.002 -1.509 -1.421) 2.072 14.080 ( 1.165 2.687 1.669) 3.371 14.141 ( -2.952 2.768 -1.763) 4.414 14.218 ( -1.176 -2.814 -0.449) 3.083 14.264 ( -0.916 -0.230 2.616) 2.782 14.345 ( -0.171 0.558 -4.732) 4.768 14.521 ( -1.287 -0.147 -5.170) 5.330 14.604 ( 4.664 1.554 -3.328) 5.937 14.645 ( 0.834 1.607 -2.516) 3.099 14.762 ( -2.211 -2.804 -11.144) 11.702 15.025 ( 2.985 -1.276 -2.890) 4.346 15.081 ( 6.677 -2.833 -5.474) 9.087 15.258 ( -1.816 2.155 2.990) 4.109 15.342 ( -4.608 6.377 -3.583) 8.645 15.491 ( -4.792 1.718 -5.986) 7.858 24.170 ( 0.902 2.082 0.708) 2.377 24.209 ( -0.524 -0.261 1.142) 1.283 24.310 ( 0.018 3.798 0.061) 3.798 24.380 ( 0.589 -2.590 0.762) 2.763 24.470 ( -1.302 -0.431 0.859) 1.618 24.655 ( 5.179 1.557 -2.901) 6.137 24.699 ( -0.216 -2.295 0.359) 2.333 24.800 ( 1.152 5.848 -0.174) 5.962 24.899 ( 1.529 -0.624 -1.340) 2.127 25.057 ( -8.154 -4.666 1.516) 9.516 25.238 ( -2.979 4.259 0.076) 5.198 25.315 ( -4.337 -4.958 0.270) 6.593 25.502 ( -2.176 -1.895 0.614) 2.950 25.601 ( 3.182 2.559 4.490) 6.070 25.765 ( 0.681 1.201 3.771) 4.016 26.264 ( -20.429 -15.521 -13.322) 28.909 27.052 ( 14.263 5.953 -8.589) 17.682 27.293 ( 7.584 2.517 -10.759) 13.401 28.638 ( -1.406 -2.087 4.514) 5.169 28.708 ( 1.982 -7.122 8.953) 11.611 28.761 ( -4.450 4.145 7.129) 9.370 28.844 ( 2.553 2.427 3.293) 4.822 29.071 ( -14.144 -6.447 11.645) 19.422 29.877 ( 20.988 12.485 17.465) 30.024 ======================= Grid point 92 (28/50) ======================= q-point: (-0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -7.716 6.818 -9.325) 13.891 0.882 ( -9.532 -13.162 -8.250) 18.225 1.327 ( -17.580 -7.164 20.565) 27.988 1.394 ( -15.978 -12.985 18.727) 27.832 1.858 ( 3.250 7.299 5.399) 9.643 1.888 ( 7.843 0.581 15.550) 17.425 1.968 ( 8.143 5.713 8.606) 13.154 2.246 ( -3.312 -3.846 -2.551) 5.681 2.333 ( -5.778 -2.340 18.116) 19.159 2.425 ( -4.616 0.136 12.783) 13.591 2.483 ( -6.197 -4.158 22.087) 23.313 2.563 ( -2.920 -7.986 0.095) 8.504 2.611 ( -2.050 -1.118 9.020) 9.317 2.783 ( -0.560 0.507 9.578) 9.608 2.948 ( 4.318 1.718 10.090) 11.109 3.012 ( -1.510 -2.081 10.502) 10.812 3.031 ( -2.458 1.451 8.212) 8.694 3.066 ( -2.269 3.300 8.312) 9.227 3.105 ( -1.263 1.018 12.890) 12.992 3.169 ( -0.003 -3.386 3.278) 4.713 3.244 ( -2.438 -2.451 11.687) 12.188 3.375 ( -1.939 -2.015 4.993) 5.723 3.402 ( -3.352 -2.583 4.156) 5.931 3.464 ( 0.741 0.351 4.271) 4.349 3.592 ( 5.668 3.331 3.037) 7.242 3.666 ( 3.222 5.045 7.706) 9.758 3.718 ( 4.665 0.515 1.875) 5.053 3.849 ( -1.514 -0.424 5.957) 6.161 3.900 ( 1.091 -6.038 7.942) 10.036 3.989 ( -4.442 -2.023 3.510) 6.012 4.116 ( -0.520 3.970 3.573) 5.367 4.265 ( 0.209 -1.857 -2.692) 3.277 4.488 ( -1.440 -3.050 9.698) 10.268 4.730 ( 0.220 1.245 -1.710) 2.127 4.818 ( -4.572 2.438 -6.907) 8.635 4.962 ( 0.392 -1.311 -12.975) 13.047 5.074 ( 0.152 -0.634 -1.003) 1.196 5.212 ( -1.426 -6.547 0.234) 6.704 5.405 ( -4.327 0.198 -1.626) 4.626 5.496 ( -5.129 -4.058 -2.236) 6.912 5.666 ( 3.305 5.453 -0.526) 6.398 5.706 ( 3.869 2.549 -8.671) 9.831 5.771 ( 1.968 -0.981 -2.609) 3.412 5.875 ( -5.076 -1.676 -1.445) 5.538 5.954 ( 0.970 4.210 -3.196) 5.374 6.069 ( 3.840 -4.656 -6.178) 8.636 6.164 ( -3.739 2.792 -4.140) 6.238 6.207 ( -0.876 0.376 -4.703) 4.798 6.304 ( -9.374 0.168 -0.447) 9.386 6.378 ( 5.828 1.735 3.375) 6.954 6.544 ( 12.585 4.474 0.960) 13.391 6.580 ( 14.232 7.692 0.630) 16.190 6.676 ( 2.919 6.271 0.867) 6.971 6.780 ( 0.700 1.434 3.009) 3.406 6.895 ( -0.752 -0.240 5.852) 5.905 7.029 ( -4.999 -3.010 -0.107) 5.836 7.236 ( 8.862 2.298 -3.115) 9.670 7.335 ( 0.174 -5.253 -4.290) 6.784 7.553 ( 5.621 7.860 1.642) 9.802 7.646 ( 8.550 4.971 6.227) 11.687 7.709 ( 0.080 -4.471 -2.868) 5.312 8.029 ( -15.016 -2.331 0.254) 15.198 8.092 ( -12.496 -8.952 -2.082) 15.512 8.381 ( -5.550 -4.096 2.482) 7.331 8.424 ( -1.760 -1.732 5.708) 6.219 8.995 ( 5.625 4.210 -1.626) 7.212 9.013 ( 6.605 4.020 -1.180) 7.822 9.078 ( 0.712 -1.097 1.060) 1.684 9.171 ( -3.018 -1.174 0.142) 3.241 9.203 ( 1.002 -0.437 -0.010) 1.093 9.233 ( -0.815 -0.126 0.687) 1.074 10.127 ( 8.226 8.255 2.275) 11.874 10.205 ( -0.666 2.484 5.630) 6.190 10.265 ( 6.545 1.979 -1.861) 7.086 10.352 ( 7.742 4.697 4.329) 10.037 10.575 ( -4.070 -1.577 3.386) 5.524 10.686 ( -4.218 -3.237 -0.205) 5.321 10.878 ( 1.761 -2.707 -5.486) 6.366 11.144 ( 0.110 3.513 0.427) 3.540 11.198 ( 2.736 -2.926 -3.171) 5.109 11.211 ( 0.031 0.051 -2.225) 2.226 11.385 ( -6.700 -5.776 -1.790) 9.025 11.618 ( -1.139 -5.238 -3.198) 6.242 11.637 ( -7.217 -7.186 0.363) 10.191 13.743 ( 0.447 -0.019 -6.934) 6.948 13.764 ( -1.416 1.971 -6.336) 6.785 13.962 ( -0.660 -0.162 -3.527) 3.592 13.994 ( 3.085 2.616 -3.752) 5.517 14.064 ( -0.944 -2.757 -1.769) 3.409 14.131 ( 1.562 0.628 1.632) 2.345 14.215 ( -1.302 0.706 1.382) 2.026 14.242 ( -1.933 1.873 1.475) 3.070 14.336 ( 0.960 -1.615 -2.027) 2.764 14.452 ( -5.230 -0.998 -1.565) 5.549 14.636 ( -3.727 -1.798 -11.119) 11.864 14.735 ( 6.348 3.835 -1.595) 7.586 14.752 ( 2.613 2.168 -2.890) 4.459 15.118 ( 8.879 0.196 -0.812) 8.918 15.162 ( 5.652 -4.194 -3.698) 7.950 15.253 ( -2.745 2.977 -0.825) 4.132 15.298 ( -6.597 4.834 -4.953) 9.562 15.425 ( -2.463 -1.011 -2.141) 3.416 24.214 ( 1.676 2.050 0.321) 2.667 24.219 ( 1.329 0.806 0.247) 1.574 24.310 ( -1.609 -0.525 -0.639) 1.809 24.330 ( -2.373 -2.742 -0.440) 3.653 24.533 ( 4.486 4.962 3.714) 7.651 24.673 ( -0.648 -0.660 0.082) 0.928 24.763 ( 5.076 1.399 -2.170) 5.695 24.795 ( -7.654 -2.770 0.616) 8.163 24.924 ( 1.765 3.007 -1.135) 3.667 24.956 ( 2.111 0.199 -1.052) 2.367 25.184 ( -3.958 -3.505 -1.241) 5.430 25.196 ( -5.009 -1.872 -1.584) 5.577 25.453 ( -1.133 -1.275 1.227) 2.101 25.653 ( 0.691 0.797 5.150) 5.257 25.740 ( -19.449 -13.106 -5.864) 24.175 25.797 ( 0.270 0.281 4.655) 4.672 27.318 ( 9.670 4.855 -7.213) 13.004 27.454 ( 6.444 3.135 -8.771) 11.326 28.613 ( 0.515 -1.294 6.251) 6.405 28.659 ( -1.113 -3.590 7.043) 7.984 28.704 ( -3.758 0.518 8.366) 9.186 28.779 ( -9.272 -3.649 8.820) 13.307 28.955 ( 2.629 1.690 1.977) 3.698 30.366 ( 19.721 11.412 9.906) 24.846 ======================= Grid point 94 (29/50) ======================= q-point: ( 0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 2.814 11.849 -7.152) 14.123 0.928 ( 7.649 5.229 -4.300) 10.215 1.547 ( 1.542 7.803 15.435) 17.364 1.610 ( 4.419 5.263 14.065) 15.654 1.655 ( -3.782 0.492 12.100) 12.687 1.853 ( -2.363 -4.754 8.878) 10.344 2.023 ( 8.016 -5.292 9.874) 13.775 2.204 ( -5.724 4.565 7.909) 10.778 2.386 ( 1.111 2.662 9.779) 10.196 2.474 ( 1.452 1.706 0.993) 2.450 2.570 ( 0.314 0.623 9.321) 9.347 2.635 ( 5.739 1.006 -0.581) 5.856 2.710 ( 2.372 5.255 14.891) 15.968 2.784 ( 4.792 10.428 23.994) 26.598 2.956 ( -2.537 1.714 11.192) 11.603 3.014 ( 0.866 5.296 7.336) 9.089 3.086 ( -0.385 1.247 7.087) 7.206 3.131 ( 3.361 1.237 5.806) 6.822 3.156 ( 1.112 2.283 6.566) 7.040 3.180 ( 4.751 0.354 7.950) 9.268 3.268 ( 1.559 2.943 10.593) 11.105 3.343 ( -2.684 -1.456 8.668) 9.190 3.417 ( -3.113 -2.061 6.409) 7.417 3.474 ( 1.383 0.826 0.788) 1.793 3.543 ( 0.144 -0.699 -0.749) 1.035 3.610 ( -3.448 -5.182 0.108) 6.225 3.683 ( 4.129 -1.073 9.450) 10.368 3.792 ( -3.933 -2.292 9.916) 10.910 3.882 ( -0.848 1.814 6.050) 6.373 4.048 ( 1.101 1.741 6.045) 6.387 4.139 ( -0.306 -0.211 4.570) 4.585 4.246 ( 0.756 -3.162 -5.119) 6.064 4.472 ( -2.031 1.275 6.711) 7.126 4.785 ( 3.823 2.272 0.383) 4.463 4.893 ( -0.663 4.594 -0.180) 4.646 4.950 ( 0.602 -1.021 -12.176) 12.233 5.099 ( 2.268 1.848 2.565) 3.891 5.213 ( 1.664 5.402 -3.774) 6.796 5.533 ( 3.862 5.946 -3.372) 7.851 5.588 ( 3.508 2.783 -7.029) 8.334 5.601 ( -2.068 -4.399 -3.496) 5.988 5.646 ( -3.168 -2.251 -6.526) 7.595 5.727 ( -1.646 0.136 4.422) 4.721 5.908 ( 0.965 -2.637 1.079) 3.008 5.940 ( -4.269 -3.898 -2.250) 6.203 6.012 ( 1.012 0.153 -0.685) 1.232 6.195 ( 0.172 -8.135 -2.486) 8.508 6.217 ( -5.763 -6.763 -3.158) 9.430 6.307 ( -2.535 -4.495 -0.052) 5.161 6.354 ( -4.363 6.718 0.509) 8.027 6.452 ( 8.162 -6.449 -0.372) 10.409 6.517 ( 4.499 8.058 -9.266) 13.079 6.545 ( -4.852 -1.888 0.004) 5.206 6.793 ( -1.997 0.765 8.094) 8.372 6.824 ( -3.363 -3.706 6.681) 8.348 7.166 ( 0.190 5.628 -1.508) 5.830 7.244 ( -5.318 9.654 -1.569) 11.133 7.296 ( 13.363 -6.638 -3.886) 15.419 7.429 ( -6.968 -11.274 6.234) 14.646 7.555 ( 2.960 -9.561 -0.701) 10.033 7.563 ( -8.420 0.812 2.173) 8.734 8.202 ( 2.603 3.635 -2.097) 4.938 8.275 ( -0.367 3.919 -3.170) 5.054 8.475 ( 0.931 6.843 3.264) 7.639 8.504 ( 6.841 5.385 2.281) 9.000 8.938 ( 0.611 0.141 -2.941) 3.007 8.964 ( 1.337 2.883 -3.248) 4.544 9.064 ( -0.301 0.242 1.050) 1.119 9.151 ( 0.658 -4.722 1.309) 4.944 9.186 ( -3.598 -0.477 0.819) 3.720 9.232 ( -0.728 -1.179 0.262) 1.410 9.987 ( -7.618 -15.235 -11.356) 20.472 10.133 ( -3.119 -2.480 3.357) 5.210 10.178 ( -2.359 -4.385 5.952) 7.760 10.249 ( -2.578 -6.567 4.252) 8.237 10.676 ( -1.852 -1.390 -2.052) 3.094 10.708 ( 4.258 6.972 4.850) 9.501 10.835 ( 0.308 -1.969 -1.001) 2.230 11.102 ( -3.432 -4.137 -4.585) 7.065 11.171 ( -0.228 2.352 -3.907) 4.566 11.257 ( 4.886 2.226 1.912) 5.699 11.427 ( 0.371 1.655 -0.643) 1.814 11.642 ( -5.528 6.584 4.365) 9.641 11.673 ( 7.212 -1.125 4.357) 8.501 13.747 ( 0.504 0.503 -6.717) 6.755 13.815 ( 1.441 2.589 -5.177) 5.965 13.926 ( -2.389 0.219 -4.828) 5.391 14.023 ( 5.036 -2.523 1.588) 5.852 14.100 ( -1.457 4.451 -3.034) 5.580 14.109 ( -0.008 0.182 -0.691) 0.715 14.235 ( 1.947 0.135 0.642) 2.054 14.239 ( -1.290 -0.885 3.305) 3.656 14.360 ( 0.951 2.598 -3.975) 4.843 14.510 ( -0.205 0.923 -6.030) 6.103 14.631 ( -2.421 -6.315 -2.455) 7.196 14.646 ( -2.176 -1.477 -2.728) 3.790 14.737 ( -0.547 0.018 -11.003) 11.016 15.027 ( -2.492 -3.865 -3.328) 5.677 15.041 ( -0.477 -1.733 -2.866) 3.383 15.301 ( 2.301 0.616 0.848) 2.529 15.425 ( 0.736 5.666 -5.155) 7.696 15.488 ( 3.286 3.508 -5.271) 7.133 24.190 ( -1.714 -0.147 0.818) 1.905 24.222 ( 2.222 -1.248 0.641) 2.628 24.329 ( -1.897 1.258 0.105) 2.279 24.356 ( 2.140 1.664 -1.068) 2.913 24.479 ( -1.867 -2.625 3.136) 4.496 24.666 ( 0.397 -1.181 0.314) 1.285 24.669 ( -3.160 -4.954 -3.008) 6.602 24.835 ( -3.460 0.754 -0.175) 3.546 24.911 ( 0.446 -3.921 -0.437) 3.971 25.060 ( 9.034 7.816 -0.569) 11.960 25.208 ( -1.281 6.917 0.210) 7.038 25.308 ( 3.640 5.343 -1.340) 6.603 25.479 ( 1.536 0.635 0.926) 1.903 25.639 ( -0.322 -1.886 4.688) 5.063 25.769 ( -1.329 -1.627 4.172) 4.670 26.079 ( 11.510 21.444 -11.367) 26.861 27.133 ( -6.029 -12.582 -7.756) 15.962 27.305 ( -6.241 -9.367 -10.065) 15.100 28.621 ( 0.857 0.973 6.307) 6.439 28.627 ( -0.459 0.042 6.139) 6.156 28.838 ( 0.662 -2.362 4.467) 5.096 28.865 ( 3.078 8.385 10.163) 13.531 28.976 ( 4.022 7.584 7.475) 11.383 30.013 ( -12.159 -21.494 16.376) 29.632 ======================= Grid point 95 (30/50) ======================= q-point: ( 0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -7.503 13.740 1.857) 15.765 1.190 ( 9.723 0.400 -4.922) 10.906 1.478 ( -2.269 -0.414 7.169) 7.531 1.624 ( 0.249 -0.897 16.260) 16.287 1.716 ( -4.392 -4.961 6.994) 9.634 1.799 ( 6.157 -3.029 10.999) 12.964 2.120 ( 3.795 0.412 6.736) 7.742 2.191 ( 0.325 3.433 17.274) 17.615 2.411 ( 1.390 -3.786 12.869) 13.487 2.507 ( -0.674 2.007 4.168) 4.675 2.573 ( 2.286 0.857 6.766) 7.193 2.636 ( -4.433 -2.947 8.102) 9.694 2.751 ( 4.754 1.940 -0.122) 5.136 2.891 ( -3.527 -0.920 4.999) 6.187 2.965 ( -0.843 -3.330 6.970) 7.770 3.101 ( 3.219 5.411 10.226) 12.009 3.175 ( 1.180 4.817 7.125) 8.681 3.181 ( -2.873 6.316 9.789) 11.998 3.221 ( 3.191 1.163 3.805) 5.101 3.288 ( 5.116 2.097 12.839) 13.979 3.301 ( -0.845 -0.079 9.281) 9.320 3.335 ( 4.629 6.074 7.411) 10.642 3.371 ( 2.797 0.706 11.679) 12.030 3.464 ( -3.755 -1.688 0.574) 4.157 3.484 ( -3.480 -2.646 -1.847) 4.746 3.575 ( 0.825 1.752 2.208) 2.937 3.717 ( -0.787 -0.145 9.001) 9.036 3.794 ( 2.008 -1.139 10.791) 11.035 3.841 ( -3.433 0.653 10.478) 11.046 4.025 ( -3.483 2.169 1.438) 4.348 4.137 ( 3.688 -6.289 6.631) 9.855 4.228 ( 1.474 -3.938 -4.402) 6.087 4.460 ( -1.012 2.172 3.112) 3.928 4.858 ( 1.043 -0.009 6.415) 6.499 4.908 ( 1.744 -0.341 1.677) 2.444 4.959 ( -0.441 1.513 -11.731) 11.837 5.181 ( 3.303 2.902 2.399) 5.008 5.339 ( 5.341 5.106 -6.929) 10.129 5.456 ( -6.448 -4.747 -4.131) 9.010 5.558 ( -2.746 -0.531 -7.328) 7.843 5.589 ( -2.162 -0.335 -4.151) 4.692 5.663 ( 5.958 0.685 -2.360) 6.445 5.787 ( -0.180 0.815 -2.098) 2.257 5.859 ( 0.035 -1.814 -1.308) 2.236 5.892 ( 0.374 -2.292 0.460) 2.367 5.974 ( -0.165 -5.496 0.481) 5.519 6.061 ( -0.538 -9.154 0.305) 9.175 6.093 ( -5.225 -4.806 0.345) 7.107 6.195 ( 1.749 5.538 4.457) 7.321 6.371 ( -9.088 9.596 1.882) 13.350 6.527 ( -6.943 5.128 -2.808) 9.077 6.542 ( 0.535 1.430 -0.344) 1.565 6.664 ( 1.105 4.752 -6.216) 7.902 6.761 ( 6.123 1.529 1.608) 6.513 6.873 ( 7.428 5.450 5.460) 10.710 7.068 ( -8.175 1.626 0.925) 8.386 7.160 ( -7.499 0.162 3.968) 8.485 7.362 ( -8.243 -3.067 4.307) 9.794 7.411 ( 6.120 -8.091 -0.577) 10.162 7.496 ( 10.254 -15.190 -4.584) 18.891 7.626 ( 10.202 13.654 -0.201) 17.045 8.049 ( -18.093 -4.490 -1.706) 18.720 8.270 ( 7.582 -8.887 -1.635) 11.796 8.538 ( -1.755 6.532 1.453) 6.918 8.709 ( 12.443 2.778 2.943) 13.085 8.911 ( -5.349 -4.581 1.807) 7.271 9.039 ( -1.263 1.823 -0.256) 2.232 9.103 ( -2.349 5.339 -2.588) 6.381 9.112 ( 0.409 -2.711 0.339) 2.763 9.170 ( -2.383 0.229 1.242) 2.697 9.281 ( 12.180 11.309 -7.848) 18.380 9.653 ( -15.618 -8.755 -13.466) 22.403 10.019 ( -5.511 -0.856 4.012) 6.870 10.147 ( 2.989 -5.794 2.456) 6.967 10.171 ( 1.235 -5.559 3.392) 6.628 10.611 ( 0.014 -4.833 -4.191) 6.397 10.803 ( 1.105 2.145 2.320) 3.347 10.842 ( 2.655 -3.343 -0.700) 4.326 11.024 ( -3.235 0.579 -3.133) 4.541 11.199 ( 3.832 -3.961 0.305) 5.520 11.376 ( 1.763 6.581 1.952) 7.087 11.459 ( 3.035 -0.230 2.281) 3.803 11.563 ( -7.652 3.171 6.205) 10.349 11.786 ( 8.094 -6.694 9.118) 13.909 13.759 ( 0.304 0.032 -6.249) 6.257 13.854 ( -0.401 3.152 -3.226) 4.528 13.916 ( -0.610 2.062 -6.468) 6.816 14.031 ( -1.437 -1.196 6.271) 6.544 14.093 ( -2.505 3.144 0.091) 4.021 14.156 ( 4.493 -1.142 -1.202) 4.789 14.207 ( -1.503 1.954 0.229) 2.476 14.315 ( 4.124 2.286 -2.914) 5.543 14.362 ( -4.705 2.000 -5.936) 7.834 14.493 ( 2.632 -3.641 -7.576) 8.808 14.526 ( -2.046 -4.797 -4.078) 6.620 14.576 ( -1.369 -4.312 -5.179) 6.877 14.782 ( 3.746 1.880 -4.479) 6.134 14.928 ( -3.902 -1.500 -3.745) 5.613 15.051 ( 1.069 -2.684 -4.935) 5.719 15.386 ( 2.563 6.563 -2.405) 7.445 15.435 ( -5.579 5.562 -4.614) 9.129 15.563 ( 1.828 0.754 -6.388) 6.687 24.172 ( -0.968 1.501 1.092) 2.094 24.256 ( 1.725 -2.134 1.018) 2.927 24.291 ( -1.911 1.411 2.197) 3.236 24.383 ( -1.595 2.548 -0.751) 3.099 24.479 ( 3.722 -0.145 -0.569) 3.768 24.566 ( -3.178 -4.468 -2.393) 5.982 24.658 ( 1.379 -3.908 0.289) 4.154 24.794 ( -1.678 2.018 0.446) 2.662 24.883 ( 0.300 -3.119 -0.395) 3.158 25.197 ( 0.230 2.129 0.269) 2.158 25.323 ( 1.138 12.546 1.365) 12.672 25.402 ( 2.265 4.561 0.635) 5.132 25.506 ( 1.160 -1.187 0.597) 1.764 25.591 ( -3.290 -1.911 3.409) 5.108 25.732 ( 0.400 -2.603 3.044) 4.025 26.484 ( 14.144 13.276 -12.289) 22.963 26.878 ( -11.063 -9.953 -10.261) 18.076 27.126 ( -1.143 -9.071 -11.256) 14.501 28.634 ( 1.467 -1.088 5.750) 6.033 28.659 ( 2.109 0.933 5.445) 5.913 28.757 ( -2.656 -3.962 3.133) 5.707 28.977 ( -3.417 11.309 11.070) 16.189 29.216 ( 14.241 6.243 13.138) 20.357 29.600 ( -13.424 -15.447 16.444) 26.253 ======================= Grid point 96 (31/50) ======================= q-point: (-0.50 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -8.062 14.001 -0.069) 16.156 1.171 ( -5.869 -8.073 -2.619) 10.318 1.540 ( 7.026 0.123 5.299) 8.801 1.582 ( -0.541 -1.469 14.676) 14.759 1.710 ( 1.352 1.711 10.716) 10.936 1.827 ( 4.596 -7.201 10.893) 13.843 2.045 ( -8.867 1.253 8.729) 12.505 2.268 ( 1.170 -1.954 11.747) 11.966 2.397 ( 3.807 -3.813 15.427) 16.341 2.508 ( -2.176 1.750 9.961) 10.345 2.539 ( -2.497 0.208 3.173) 4.043 2.651 ( 2.825 1.778 4.168) 5.340 2.726 ( -5.162 -0.760 1.289) 5.375 2.903 ( 3.863 0.697 5.194) 6.510 2.998 ( 5.064 -2.114 6.943) 8.849 3.107 ( -3.734 -0.421 10.097) 10.773 3.158 ( -3.902 3.856 9.728) 11.168 3.174 ( -5.646 3.432 9.395) 11.486 3.205 ( -5.409 -2.043 6.836) 8.953 3.298 ( -3.189 -3.062 10.796) 11.666 3.306 ( 0.458 0.084 5.347) 5.367 3.336 ( -6.630 -0.983 5.439) 8.632 3.388 ( -1.647 -2.035 9.718) 10.064 3.473 ( 5.445 1.204 3.233) 6.446 3.523 ( 1.243 4.753 5.032) 7.033 3.535 ( -3.558 -2.319 -0.148) 4.250 3.679 ( -3.020 3.669 9.120) 10.284 3.743 ( 2.950 -0.403 10.048) 10.480 3.953 ( 3.717 2.853 7.243) 8.627 3.971 ( -1.084 -1.730 3.653) 4.185 4.158 ( 2.555 -2.089 5.846) 6.713 4.211 ( 1.640 -4.213 -4.387) 6.299 4.475 ( 0.442 0.967 3.984) 4.123 4.824 ( -2.745 0.084 7.604) 8.085 4.942 ( 2.814 -4.057 1.452) 5.147 4.949 ( -2.902 2.962 -14.572) 15.150 5.187 ( -4.281 -1.924 1.793) 5.025 5.326 ( -5.490 -0.894 -2.813) 6.234 5.461 ( 5.028 2.576 -8.561) 10.256 5.575 ( 1.863 2.478 -5.753) 6.535 5.596 ( 2.688 -0.877 -3.536) 4.527 5.674 ( -0.850 -3.575 -1.975) 4.172 5.770 ( -2.910 0.916 -0.604) 3.109 5.854 ( 1.703 -1.151 -1.035) 2.301 5.921 ( -0.517 -3.949 0.093) 3.984 5.956 ( 3.503 -0.702 0.358) 3.591 6.010 ( 8.789 1.094 -2.822) 9.295 6.121 ( 7.180 -0.347 0.466) 7.203 6.143 ( -4.265 3.471 5.448) 7.741 6.431 ( -6.426 4.933 -2.150) 8.381 6.514 ( -0.746 8.320 0.155) 8.355 6.575 ( -2.154 9.567 -3.654) 10.465 6.642 ( -3.135 -1.033 0.413) 3.327 6.744 ( -3.183 -6.407 3.409) 7.925 6.862 ( -6.151 -2.417 2.487) 7.062 7.158 ( 8.397 9.178 3.074) 12.814 7.208 ( -3.986 7.696 1.240) 8.755 7.272 ( 7.506 1.486 2.483) 8.044 7.352 ( 2.842 -13.697 -3.017) 14.310 7.499 ( 1.718 -9.002 -0.015) 9.165 7.657 ( -11.446 -5.283 -0.223) 12.608 8.027 ( 11.846 12.404 -1.627) 17.228 8.303 ( 7.042 -10.582 -2.327) 12.922 8.549 ( -3.937 5.660 1.280) 7.012 8.686 ( -9.521 -9.100 3.413) 13.605 8.926 ( 7.751 0.818 1.337) 7.908 9.053 ( -2.108 5.446 -0.582) 5.869 9.073 ( -3.703 0.326 -0.777) 3.797 9.097 ( -1.133 1.151 -1.493) 2.199 9.172 ( 0.704 1.295 0.988) 1.774 9.313 ( -12.974 -6.397 -7.236) 16.175 9.637 ( 15.246 10.543 -12.666) 22.450 10.020 ( 3.326 5.306 4.810) 7.897 10.139 ( 3.803 -6.306 1.842) 7.591 10.178 ( 3.996 -3.844 2.700) 6.168 10.614 ( 4.755 -2.873 -4.596) 7.210 10.809 ( -1.743 -0.338 1.392) 2.256 10.834 ( -0.302 -2.287 1.674) 2.851 11.020 ( 1.867 1.997 -4.257) 5.060 11.205 ( 2.408 -5.667 -0.609) 6.187 11.368 ( -9.965 3.904 4.766) 11.715 11.444 ( 0.529 -2.096 1.457) 2.607 11.590 ( 2.437 6.342 4.862) 8.355 11.781 ( 1.232 -10.718 9.490) 14.369 13.756 ( -0.406 -0.169 -6.419) 6.434 13.857 ( -2.455 1.882 -3.396) 4.594 13.929 ( -0.156 1.449 -6.164) 6.334 14.000 ( -1.660 1.445 4.724) 5.211 14.090 ( -0.460 2.083 0.669) 2.236 14.191 ( 1.251 -4.437 1.334) 4.799 14.220 ( -1.077 3.761 -0.099) 3.913 14.263 ( -4.730 -1.066 -4.848) 6.857 14.388 ( 0.027 3.839 -5.183) 6.450 14.487 ( 1.689 -4.340 -6.839) 8.274 14.529 ( 4.649 -0.721 -4.767) 6.697 14.588 ( 5.883 -1.611 -5.483) 8.202 14.779 ( -3.523 -2.066 -3.819) 5.592 14.940 ( 3.913 2.222 -4.534) 6.388 15.040 ( 0.791 -1.962 -4.788) 5.235 15.359 ( -7.225 3.269 -2.118) 8.208 15.467 ( -1.732 6.217 -4.646) 7.952 15.554 ( -1.961 -1.838 -6.405) 6.946 24.186 ( 0.103 2.244 0.934) 2.433 24.215 ( -1.463 -1.195 1.469) 2.393 24.328 ( 2.412 -0.250 2.398) 3.410 24.375 ( -2.260 2.984 -1.268) 3.953 24.478 ( -1.716 -3.002 -0.582) 3.507 24.568 ( 5.595 0.247 -2.461) 6.117 24.650 ( 1.806 -2.555 0.421) 3.157 24.820 ( 1.443 2.434 0.237) 2.839 24.863 ( 0.869 -2.232 -0.150) 2.400 25.176 ( -5.164 2.242 0.299) 5.638 25.368 ( -5.407 5.293 -0.079) 7.567 25.388 ( -7.716 -1.281 2.045) 8.085 25.510 ( -0.842 -2.202 0.310) 2.378 25.568 ( 3.654 2.910 3.652) 5.929 25.739 ( 2.331 -1.636 3.084) 4.198 26.498 ( -18.483 -6.795 -12.796) 23.484 26.857 ( 13.684 5.866 -9.613) 17.722 27.135 ( 9.051 -3.748 -11.438) 15.060 28.637 ( 0.591 -2.037 5.844) 6.217 28.658 ( -2.111 -1.299 5.250) 5.806 28.754 ( 4.461 0.574 3.273) 5.563 28.976 ( -8.038 8.416 11.101) 16.083 29.224 ( -12.370 -9.576 12.805) 20.216 29.595 ( 20.065 4.362 16.687) 26.460 ======================= Grid point 101 (32/50) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -2.341 -4.681 -1.341) 5.403 1.155 ( 2.341 4.681 -1.341) 5.403 1.446 ( -0.000 -0.000 4.597) 4.597 1.632 ( -0.000 -0.000 19.237) 19.237 1.688 ( -1.136 -2.273 8.547) 8.917 1.688 ( 1.136 2.273 8.547) 8.917 2.156 ( -0.000 -0.000 5.403) 5.403 2.285 ( -2.464 -4.928 17.585) 18.428 2.285 ( 2.464 4.928 17.585) 18.428 2.575 ( -1.203 -2.405 7.299) 7.779 2.575 ( 1.203 2.405 7.299) 7.779 2.589 ( -0.000 -0.000 3.521) 3.521 2.837 ( -0.000 -0.000 0.857) 0.857 2.857 ( -0.539 -1.078 0.737) 1.413 2.857 ( 0.539 1.078 0.737) 1.413 3.149 ( -0.000 -0.000 8.276) 8.276 3.229 ( -0.803 -1.606 9.875) 10.037 3.229 ( 0.803 1.606 9.875) 10.037 3.258 ( -0.845 -1.690 9.189) 9.381 3.258 ( 0.845 1.690 9.189) 9.381 3.268 ( 0.000 -0.000 9.905) 9.905 3.423 ( -1.103 -2.206 1.553) 2.915 3.423 ( 1.103 2.206 1.553) 2.915 3.439 ( 0.000 -0.000 2.391) 2.391 3.556 ( -1.620 -3.240 5.983) 6.994 3.556 ( 1.620 3.240 5.983) 6.994 3.727 ( -0.000 -0.000 8.439) 8.439 3.877 ( -3.485 -6.969 10.433) 13.021 3.877 ( 3.485 6.969 10.433) 13.021 3.883 ( -0.000 -0.000 18.845) 18.845 4.144 ( -1.505 -3.010 -4.660) 5.748 4.144 ( 1.505 3.010 -4.660) 5.748 4.483 ( -0.000 -0.000 3.322) 3.322 4.869 ( -0.987 -1.974 5.228) 5.675 4.869 ( 0.987 1.974 5.228) 5.675 4.990 ( -0.000 -0.000 -11.956) 11.956 5.216 ( -0.000 -0.000 -0.214) 0.214 5.410 ( -0.820 -1.640 -6.940) 7.178 5.410 ( 0.820 1.640 -6.940) 7.178 5.558 ( -0.000 -0.000 -5.566) 5.566 5.603 ( -1.342 -2.684 -2.316) 3.791 5.603 ( 1.342 2.684 -2.316) 3.791 5.821 ( -1.008 -2.017 -0.073) 2.256 5.821 ( 1.008 2.017 -0.073) 2.256 5.841 ( 0.000 0.000 -0.390) 0.390 5.939 ( -0.167 -0.335 -0.713) 0.805 5.939 ( 0.167 0.335 -0.713) 0.805 6.036 ( -0.000 -0.000 0.328) 0.328 6.343 ( -0.000 -0.000 -1.131) 1.131 6.536 ( -3.998 -7.995 5.763) 10.636 6.536 ( 3.998 7.995 5.763) 10.636 6.642 ( 0.000 -0.000 2.909) 2.909 6.655 ( -2.292 -4.584 -4.716) 6.965 6.655 ( 2.292 4.584 -4.716) 6.965 7.065 ( -0.000 -0.000 0.429) 0.429 7.129 ( -4.031 -8.061 -0.287) 9.017 7.129 ( 4.031 8.061 -0.287) 9.017 7.224 ( -0.000 -0.000 1.672) 1.672 7.329 ( -1.840 -3.679 2.103) 4.620 7.329 ( 1.840 3.679 2.103) 4.620 7.892 ( -0.000 -0.000 -0.475) 0.475 8.019 ( -3.732 -7.463 -1.486) 8.475 8.019 ( 3.732 7.463 -1.486) 8.475 8.727 ( -3.087 -6.175 3.349) 7.673 8.727 ( 3.087 6.175 3.349) 7.673 8.742 ( -0.000 -0.000 2.637) 2.637 9.049 ( -0.470 -0.940 0.703) 1.265 9.049 ( 0.470 0.940 0.703) 1.265 9.116 ( -0.000 -0.000 -0.111) 0.111 9.386 ( -0.000 -0.000 -9.962) 9.962 9.445 ( -3.198 -6.397 -11.631) 13.654 9.445 ( 3.198 6.397 -11.631) 13.654 10.043 ( -1.045 -2.091 3.021) 3.820 10.043 ( 1.045 2.091 3.021) 3.820 10.092 ( -0.000 -0.000 5.979) 5.979 10.552 ( -0.000 -0.000 -5.072) 5.072 10.809 ( -0.194 -0.388 -0.318) 0.538 10.809 ( 0.194 0.388 -0.318) 0.538 11.090 ( -2.494 -4.987 -0.038) 5.576 11.090 ( 2.494 4.987 -0.038) 5.576 11.419 ( -0.000 -0.000 -1.790) 1.790 11.587 ( -0.000 -0.000 10.858) 10.858 11.621 ( -2.092 -4.183 7.471) 8.815 11.621 ( 2.092 4.183 7.471) 8.815 13.757 ( -0.000 -0.000 -6.206) 6.206 13.909 ( -0.973 -1.946 -3.480) 4.104 13.909 ( 0.973 1.946 -3.480) 4.104 14.030 ( -0.000 0.000 7.871) 7.871 14.129 ( -0.709 -1.418 1.318) 2.061 14.129 ( 0.709 1.418 1.318) 2.061 14.296 ( -2.227 -4.454 -5.085) 7.117 14.296 ( 2.227 4.454 -5.085) 7.117 14.400 ( -0.000 -0.000 -10.158) 10.158 14.449 ( -0.906 -1.813 -4.522) 4.955 14.449 ( 0.906 1.813 -4.522) 4.955 14.513 ( -0.000 -0.000 -6.227) 6.227 14.799 ( 0.000 -0.000 -1.713) 1.713 14.972 ( -1.912 -3.823 -4.317) 6.075 14.972 ( 1.912 3.823 -4.317) 6.075 15.494 ( 0.000 0.000 -4.736) 4.736 15.517 ( -1.750 -3.499 -5.894) 7.075 15.517 ( 1.750 3.499 -5.894) 7.075 24.212 ( -0.793 -1.586 1.218) 2.151 24.212 ( 0.793 1.586 1.218) 2.151 24.301 ( 0.000 -0.000 3.080) 3.080 24.435 ( -0.000 -0.000 -2.869) 2.869 24.487 ( -1.004 -2.008 -1.074) 2.488 24.487 ( 1.004 2.008 -1.074) 2.488 24.615 ( -0.000 -0.000 0.437) 0.437 24.830 ( -0.711 -1.423 0.517) 1.673 24.830 ( 0.711 1.423 0.517) 1.673 25.231 ( -0.000 -0.000 0.354) 0.354 25.475 ( -1.107 -2.215 0.157) 2.481 25.475 ( 1.107 2.215 0.157) 2.481 25.519 ( -2.336 -4.673 2.870) 5.961 25.519 ( 2.336 4.673 2.870) 5.961 25.687 ( -0.000 -0.000 2.342) 2.342 26.712 ( -3.605 -7.210 -10.836) 13.505 26.712 ( 3.605 7.210 -10.836) 13.505 26.998 ( -0.000 -0.000 -12.670) 12.670 28.626 ( -0.000 -0.000 4.809) 4.809 28.691 ( -1.073 -2.145 4.394) 5.006 28.691 ( 1.073 2.145 4.394) 5.006 29.153 ( -0.000 -0.000 15.642) 15.642 29.331 ( -3.984 -7.968 13.092) 15.835 29.331 ( 3.984 7.968 13.092) 15.835 ======================= Grid point 106 (33/50) ======================= q-point: (-0.17 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -3.377 5.552 -3.551) 7.406 1.112 ( -5.116 8.042 -7.702) 12.254 1.521 ( 2.450 -0.055 13.513) 13.733 1.587 ( -3.462 7.963 15.876) 18.096 1.719 ( 0.561 1.621 14.671) 14.771 1.880 ( -0.731 6.830 4.784) 8.371 2.011 ( -12.055 -2.489 11.136) 16.600 2.287 ( 0.674 3.780 1.474) 4.113 2.356 ( 3.078 4.907 19.013) 19.876 2.487 ( -3.730 4.798 -2.738) 6.666 2.565 ( -2.131 3.021 10.651) 11.274 2.658 ( -2.002 4.303 15.130) 15.857 2.729 ( 1.901 -5.329 7.608) 9.481 2.799 ( -7.419 9.099 14.323) 18.519 2.911 ( -1.038 -4.916 6.830) 8.479 2.934 ( 5.933 0.142 9.768) 11.430 3.020 ( 2.919 1.086 9.542) 10.038 3.078 ( -1.656 0.585 4.472) 4.805 3.127 ( -3.890 2.023 9.490) 10.454 3.251 ( -2.302 3.234 6.672) 7.764 3.319 ( -3.162 3.979 12.344) 13.350 3.413 ( 1.736 1.929 5.640) 6.208 3.431 ( -1.263 -1.723 4.022) 4.554 3.454 ( 0.708 0.122 5.153) 5.203 3.519 ( 2.234 1.043 3.579) 4.346 3.590 ( 0.309 -5.028 3.938) 6.394 3.720 ( -2.775 -2.350 1.408) 3.899 3.838 ( 2.249 0.996 6.068) 6.548 3.951 ( 2.295 0.090 1.321) 2.650 4.051 ( -1.901 3.379 11.053) 11.713 4.099 ( -2.529 3.124 11.697) 12.368 4.309 ( -2.691 -0.096 -3.341) 4.291 4.523 ( 2.698 1.270 -8.330) 8.848 4.694 ( 1.282 -2.763 -9.064) 9.563 4.791 ( -2.693 2.711 6.494) 7.534 5.021 ( -1.965 5.372 -0.693) 5.762 5.166 ( -5.643 3.495 -7.028) 9.667 5.304 ( 3.322 7.331 0.519) 8.065 5.441 ( -3.087 1.868 -0.957) 3.733 5.534 ( -0.769 -8.024 3.766) 8.897 5.585 ( 0.034 -0.944 -3.952) 4.063 5.646 ( 0.526 -0.487 -1.743) 1.885 5.767 ( 2.384 -0.215 -9.353) 9.655 5.877 ( -0.397 -7.653 -0.657) 7.692 5.912 ( 3.765 4.206 0.429) 5.661 6.047 ( 2.969 -0.955 -1.690) 3.548 6.085 ( -0.160 -9.754 -3.411) 10.334 6.165 ( 8.989 -6.269 -1.576) 11.072 6.266 ( -3.374 -3.043 -0.546) 4.576 6.347 ( 6.052 -14.828 1.753) 16.111 6.384 ( 2.217 2.264 -2.080) 3.790 6.483 ( 2.896 0.824 -0.743) 3.101 6.540 ( -3.007 6.063 1.177) 6.869 6.814 ( -4.517 0.520 4.590) 6.461 6.881 ( 2.480 2.917 4.902) 6.220 7.181 ( -6.875 7.561 -0.094) 10.220 7.272 ( -4.135 -12.131 -1.340) 12.886 7.349 ( 2.662 2.241 -1.990) 4.009 7.424 ( 0.165 -8.827 0.453) 8.841 7.502 ( 6.163 -5.729 1.640) 8.573 7.593 ( 10.338 3.179 1.621) 10.936 8.202 ( -0.819 2.710 -1.882) 3.400 8.233 ( -4.860 1.896 -2.801) 5.921 8.529 ( -3.420 10.579 2.742) 11.451 8.547 ( -9.625 9.138 1.514) 13.358 8.888 ( 0.307 -2.766 -2.129) 3.504 8.935 ( 2.062 0.466 -3.065) 3.723 9.098 ( -0.229 0.719 0.913) 1.185 9.173 ( 5.272 -0.487 0.841) 5.361 9.205 ( -0.387 0.058 -1.587) 1.634 9.223 ( -1.887 -3.095 0.475) 3.655 9.877 ( 8.341 -17.191 -0.117) 19.108 10.140 ( 2.862 -1.489 3.839) 5.014 10.170 ( 1.444 -6.716 3.066) 7.523 10.240 ( 5.198 -5.738 3.795) 8.622 10.652 ( -3.659 3.553 1.366) 5.280 10.726 ( 1.079 2.687 -2.972) 4.150 10.940 ( -3.919 -0.260 -4.964) 6.330 11.044 ( 4.196 -5.526 -4.759) 8.414 11.154 ( 1.356 -0.248 0.278) 1.406 11.259 ( -1.424 0.783 0.401) 1.674 11.646 ( -8.259 14.801 -7.487) 18.529 11.771 ( -0.810 11.728 3.878) 12.379 11.817 ( -8.818 6.798 3.382) 11.637 13.709 ( 2.124 -1.628 -6.011) 6.579 13.752 ( -1.136 -0.392 -7.918) 8.009 13.897 ( 2.731 -4.474 -0.664) 5.283 13.999 ( -0.158 -0.387 -2.765) 2.797 14.071 ( 1.493 -1.821 1.488) 2.786 14.100 ( 0.727 -4.593 3.092) 5.584 14.205 ( 0.455 3.620 -0.963) 3.773 14.228 ( -0.900 1.395 -1.127) 2.006 14.384 ( -1.808 -0.479 -4.176) 4.576 14.474 ( 0.057 3.099 -1.956) 3.665 14.633 ( 2.393 -2.648 -3.132) 4.749 14.651 ( 1.306 -4.237 -2.437) 5.059 14.746 ( -2.010 3.774 -12.415) 13.130 15.088 ( 0.410 -2.242 -0.913) 2.455 15.197 ( 6.336 1.105 -5.764) 8.637 15.221 ( 0.245 0.122 1.583) 1.607 15.258 ( -6.193 -2.576 -2.008) 7.002 15.410 ( 1.662 -1.177 -4.742) 5.161 24.180 ( 0.311 -2.081 0.709) 2.220 24.190 ( 1.442 -0.623 0.548) 1.664 24.302 ( 0.955 -3.233 1.158) 3.565 24.389 ( -0.930 4.107 -0.782) 4.283 24.463 ( -0.355 -0.662 1.928) 2.069 24.664 ( 2.281 -0.604 0.067) 2.361 24.697 ( 1.556 -3.434 -2.053) 4.293 24.824 ( -2.163 -3.678 -0.650) 4.317 24.911 ( 3.681 -1.703 -0.642) 4.107 24.987 ( -3.643 7.919 1.210) 8.800 25.218 ( -3.811 1.401 0.313) 4.072 25.292 ( -0.713 6.710 -0.462) 6.763 25.497 ( -1.954 1.335 0.434) 2.405 25.619 ( 1.424 -2.830 4.718) 5.683 25.761 ( 1.256 -2.230 4.104) 4.837 26.149 ( -13.153 24.213 -12.805) 30.385 27.169 ( 4.802 -10.283 -8.444) 14.146 27.335 ( 5.047 -7.443 -10.626) 13.921 28.654 ( 0.423 1.177 5.790) 5.924 28.671 ( -2.193 1.356 4.833) 5.478 28.825 ( -3.839 7.410 11.532) 14.235 28.846 ( -0.492 0.382 5.245) 5.282 28.931 ( -2.205 4.562 7.406) 8.973 30.009 ( 12.441 -21.991 16.510) 30.182 ======================= Grid point 113 (34/50) ======================= q-point: (-0.33 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -0.136 9.861 2.552) 10.187 1.185 ( -2.491 -4.644 -3.296) 6.216 1.414 ( 0.968 -2.684 8.552) 9.016 1.669 ( -1.375 -2.199 9.881) 10.216 1.691 ( 2.122 0.257 12.635) 12.814 2.035 ( -2.475 10.205 5.331) 11.777 2.264 ( -5.164 8.066 13.127) 16.249 2.304 ( -1.699 2.839 5.713) 6.602 2.375 ( -0.203 5.046 20.238) 20.859 2.514 ( 3.810 -0.921 10.249) 10.973 2.626 ( 2.989 -1.528 3.141) 4.597 2.635 ( -1.353 0.946 1.006) 1.933 2.723 ( -1.954 -4.065 6.723) 8.096 2.824 ( -2.113 -1.417 5.108) 5.707 2.912 ( 0.023 0.518 14.441) 14.450 2.972 ( -2.666 -1.527 11.076) 11.494 2.987 ( -1.121 -1.446 8.112) 8.316 3.079 ( -1.290 -4.034 2.603) 4.971 3.237 ( -5.030 2.970 4.389) 7.306 3.288 ( 1.400 -0.817 5.681) 5.907 3.345 ( 2.048 -1.061 5.786) 6.228 3.386 ( 0.201 2.817 8.066) 8.546 3.425 ( 1.653 1.966 4.646) 5.308 3.459 ( 0.879 0.807 7.723) 7.815 3.510 ( 0.127 0.703 3.935) 3.999 3.644 ( -4.509 0.616 3.719) 5.877 3.694 ( 2.559 4.369 9.943) 11.158 3.835 ( -3.500 -0.843 10.033) 10.659 3.941 ( 9.313 3.936 3.162) 10.593 4.032 ( 1.445 5.284 9.597) 11.050 4.199 ( -5.414 -2.985 14.214) 15.500 4.371 ( -4.136 1.315 -6.024) 7.424 4.428 ( 8.106 1.801 -16.936) 18.862 4.674 ( -4.289 -7.686 -13.310) 15.957 4.908 ( -2.823 5.171 13.269) 14.518 5.096 ( -0.725 2.339 4.041) 4.725 5.223 ( 3.446 2.840 -1.138) 4.608 5.334 ( -4.791 4.128 -4.696) 7.877 5.476 ( 4.336 -3.051 -0.460) 5.322 5.497 ( -1.646 -1.672 -2.337) 3.312 5.589 ( -3.530 1.291 -2.917) 4.758 5.646 ( -0.711 -7.115 -1.239) 7.257 5.706 ( -0.491 0.705 -4.239) 4.325 5.782 ( 4.675 -3.673 -3.181) 6.743 5.819 ( -0.400 -9.942 1.218) 10.024 5.962 ( 1.636 -6.008 0.268) 6.233 6.006 ( 1.099 -4.540 -1.110) 4.801 6.123 ( -5.822 4.089 2.694) 7.608 6.154 ( 3.016 -6.004 2.023) 7.016 6.234 ( 2.657 -0.097 -0.186) 2.665 6.329 ( 3.964 -2.596 -0.596) 4.775 6.574 ( -3.259 13.543 -2.556) 14.163 6.807 ( -8.813 12.711 -0.278) 15.470 6.860 ( 0.671 3.173 5.518) 6.401 6.938 ( -1.376 0.954 1.622) 2.331 7.040 ( 8.832 -0.227 1.324) 8.934 7.146 ( 15.227 1.160 3.069) 15.576 7.260 ( 7.116 -6.971 0.291) 9.966 7.412 ( -6.728 -11.501 -2.321) 13.525 7.565 ( -13.011 -6.641 -1.731) 14.710 7.601 ( -9.611 9.173 0.733) 13.306 8.006 ( 15.935 -6.053 -1.432) 17.106 8.271 ( -5.780 -11.453 -2.042) 12.991 8.676 ( 1.530 12.204 1.438) 12.383 8.818 ( -9.611 7.198 2.427) 12.250 8.924 ( 4.589 10.984 -3.256) 12.342 8.985 ( 0.242 -0.589 -2.249) 2.338 9.103 ( -2.178 -0.418 -1.278) 2.560 9.114 ( -0.987 0.409 0.902) 1.398 9.160 ( 3.914 -1.244 -1.066) 4.243 9.245 ( -6.115 1.358 -2.646) 6.800 9.545 ( 11.462 -13.571 -5.990) 18.746 10.038 ( 5.969 -1.418 4.882) 7.840 10.127 ( -2.902 -3.798 2.834) 5.557 10.147 ( -1.448 -5.810 2.621) 6.536 10.710 ( 1.518 1.181 -6.075) 6.372 10.755 ( -4.100 1.846 -1.854) 4.864 10.919 ( 1.826 -6.435 -5.456) 8.632 10.994 ( 0.379 2.624 -1.483) 3.038 11.147 ( -1.098 -2.340 0.515) 2.636 11.281 ( -0.446 0.619 2.595) 2.705 11.836 ( 2.921 13.993 -0.031) 14.294 11.863 ( 4.003 12.361 3.652) 13.496 11.998 ( -4.051 4.082 7.725) 9.631 13.678 ( -1.337 -3.320 -5.116) 6.244 13.765 ( -1.090 -0.960 -7.321) 7.464 13.812 ( 1.497 -3.680 -4.483) 5.990 13.981 ( 0.519 -1.743 3.286) 3.755 14.027 ( 0.804 -3.698 4.048) 5.542 14.051 ( -2.467 -3.897 -0.730) 4.670 14.256 ( -0.059 2.167 -1.446) 2.606 14.270 ( -2.812 2.147 -3.620) 5.062 14.359 ( 2.385 -1.630 -6.307) 6.937 14.515 ( -1.754 1.008 -2.893) 3.530 14.564 ( 1.562 -1.672 -3.583) 4.251 14.604 ( 0.866 -2.673 -4.882) 5.633 14.881 ( -5.129 8.688 -9.216) 13.664 15.077 ( 8.533 1.723 -8.359) 12.069 15.095 ( 0.488 2.655 -3.916) 4.756 15.224 ( -1.334 -2.560 2.746) 3.985 15.279 ( 0.666 -1.886 1.498) 2.499 15.393 ( -4.800 -6.905 -6.625) 10.705 24.151 ( 1.264 -0.096 0.912) 1.562 24.186 ( -2.024 -1.613 1.285) 2.890 24.244 ( 1.164 -3.154 2.083) 3.955 24.431 ( 1.015 4.423 -0.621) 4.580 24.513 ( -3.800 1.446 -0.761) 4.136 24.586 ( 3.362 -3.136 -1.548) 4.852 24.664 ( -0.704 -2.901 -0.282) 2.999 24.816 ( 1.999 -1.090 0.133) 2.281 24.847 ( -0.687 -1.659 -0.265) 1.816 25.108 ( -2.980 3.419 1.831) 4.891 25.323 ( 0.700 3.715 2.074) 4.312 25.343 ( -2.795 4.504 1.932) 5.642 25.529 ( -0.463 -0.454 0.104) 0.657 25.550 ( 1.970 -2.710 2.793) 4.362 25.724 ( -0.249 -2.876 2.957) 4.133 26.581 ( -12.233 16.534 -13.485) 24.594 26.953 ( 11.374 -6.145 -11.248) 17.136 27.193 ( 1.599 -5.825 -12.454) 13.842 28.663 ( -0.906 0.241 4.602) 4.696 28.725 ( -2.633 -0.351 4.454) 5.186 28.783 ( 2.671 -2.401 2.437) 4.340 28.907 ( 4.998 12.112 12.790) 18.310 29.177 ( -16.181 4.870 14.425) 22.218 29.581 ( 13.680 -16.830 17.073) 27.602 ======================= Grid point 114 (35/50) ======================= q-point: (-0.17 0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -8.554 5.106 2.267) 10.216 1.183 ( 4.613 0.186 -4.264) 6.285 1.435 ( 4.423 -3.815 9.200) 10.898 1.645 ( 0.358 0.832 12.117) 12.151 1.711 ( 0.901 -2.566 10.208) 10.564 2.042 ( -7.571 6.447 8.614) 13.156 2.163 ( -9.030 10.783 9.201) 16.806 2.377 ( -2.079 3.353 7.815) 8.754 2.419 ( 1.793 3.564 18.829) 19.247 2.528 ( -0.968 -7.740 10.171) 12.818 2.574 ( -1.265 -1.025 4.945) 5.206 2.601 ( -0.250 1.154 2.509) 2.773 2.723 ( -1.878 1.442 1.876) 3.021 2.871 ( 8.893 1.392 8.205) 12.180 2.902 ( -1.314 0.309 15.726) 15.783 2.957 ( 2.254 -1.204 7.716) 8.128 3.039 ( 2.151 -0.832 8.618) 8.922 3.062 ( 5.947 -0.001 2.167) 6.330 3.200 ( -3.012 5.158 7.704) 9.748 3.304 ( -0.627 1.751 6.535) 6.795 3.348 ( 0.500 -3.957 3.592) 5.368 3.378 ( -2.588 1.895 6.985) 7.686 3.443 ( -0.843 -1.686 5.600) 5.909 3.458 ( -0.409 -0.498 5.410) 5.449 3.545 ( -0.338 4.282 9.063) 10.029 3.572 ( -1.031 -2.959 1.792) 3.610 3.719 ( -9.078 8.409 8.072) 14.775 3.809 ( 3.991 -2.149 8.049) 9.238 3.966 ( -6.184 -6.636 9.498) 13.134 4.047 ( -3.273 1.719 4.992) 6.212 4.192 ( 4.798 3.665 13.582) 14.863 4.329 ( -3.584 2.795 -11.477) 12.344 4.475 ( -1.081 -5.228 -7.935) 9.564 4.667 ( 8.829 0.292 -15.270) 17.641 4.890 ( -4.479 5.380 11.831) 13.747 5.123 ( -0.055 1.694 2.999) 3.445 5.205 ( -3.976 0.415 -2.940) 4.962 5.392 ( -0.720 -0.932 3.408) 3.606 5.448 ( 0.589 2.869 -1.329) 3.216 5.482 ( 0.740 0.276 -6.920) 6.965 5.581 ( 1.796 -2.986 -2.731) 4.428 5.606 ( 3.562 5.180 2.147) 6.643 5.670 ( -0.703 -4.533 -4.339) 6.314 5.824 ( 3.727 -4.251 -4.192) 7.038 5.863 ( 7.643 -5.599 -1.167) 9.546 5.983 ( 6.093 -2.742 1.522) 6.853 5.996 ( 4.772 -4.510 -0.574) 6.591 6.099 ( -0.881 -0.919 0.860) 1.537 6.160 ( 1.314 2.101 -1.234) 2.769 6.230 ( -1.237 0.975 2.845) 3.251 6.325 ( 0.085 -7.453 0.852) 7.502 6.640 ( -7.495 13.191 -2.267) 15.340 6.767 ( -7.113 4.019 -0.524) 8.187 6.852 ( -2.469 1.921 3.595) 4.766 6.882 ( -8.390 2.961 1.484) 9.020 7.071 ( -2.542 -1.833 3.789) 4.917 7.123 ( -2.128 -10.891 1.974) 11.271 7.251 ( 2.957 -8.198 1.267) 8.806 7.399 ( 7.170 -0.789 -1.607) 7.390 7.597 ( -4.820 13.971 -0.050) 14.779 7.642 ( 19.280 1.708 -2.803) 19.557 8.017 ( -4.469 -18.222 -1.662) 18.836 8.241 ( 12.528 1.761 -1.092) 12.698 8.680 ( -11.899 4.273 1.294) 12.709 8.799 ( -4.050 13.622 1.822) 14.328 8.877 ( -6.443 1.304 -1.443) 6.730 9.040 ( -0.972 -0.777 -3.690) 3.895 9.110 ( -0.353 -0.396 0.437) 0.687 9.131 ( -0.796 -2.408 -0.008) 2.536 9.155 ( 0.143 -1.549 -0.377) 1.600 9.253 ( 4.050 9.696 -4.588) 11.466 9.521 ( 4.331 -17.762 -5.113) 18.984 10.023 ( -2.015 -4.733 4.439) 6.794 10.131 ( 4.494 -0.012 2.861) 5.327 10.166 ( 6.822 -2.687 2.974) 7.912 10.696 ( -1.866 0.882 -4.513) 4.963 10.781 ( 1.772 2.672 -4.389) 5.435 10.900 ( 1.520 -3.440 -4.567) 5.916 10.988 ( -1.636 0.624 -1.902) 2.585 11.147 ( 2.692 -0.372 2.518) 3.705 11.282 ( -0.502 0.759 1.080) 1.412 11.836 ( -13.118 4.396 0.012) 13.835 11.877 ( -12.259 1.382 3.092) 12.719 11.991 ( -1.529 6.444 8.089) 10.454 13.683 ( 4.222 -0.899 -5.355) 6.878 13.759 ( 0.562 1.020 -7.763) 7.850 13.809 ( 2.246 -3.113 -2.740) 4.716 13.986 ( -0.070 -2.166 1.701) 2.755 14.012 ( 4.309 -0.273 3.473) 5.541 14.062 ( 4.191 -1.119 -0.050) 4.338 14.252 ( -0.702 1.368 -0.264) 1.560 14.288 ( -0.485 3.638 -4.449) 5.767 14.343 ( -0.767 -3.167 -5.712) 6.576 14.523 ( 0.511 1.658 -3.267) 3.699 14.569 ( 1.017 -2.441 -3.638) 4.498 14.595 ( 1.504 -1.861 -5.035) 5.574 14.877 ( -4.876 8.279 -9.659) 13.624 15.077 ( -4.692 -1.756 -3.222) 5.957 15.125 ( -4.029 -5.456 -10.834) 12.782 15.211 ( 2.511 0.474 3.199) 4.095 15.258 ( 2.390 0.688 2.764) 3.718 15.402 ( 7.869 0.048 -6.022) 9.910 24.148 ( -0.282 -0.856 1.094) 1.418 24.196 ( 2.535 0.888 0.981) 2.860 24.234 ( 1.485 -2.644 2.029) 3.649 24.442 ( -3.983 0.468 -0.212) 4.016 24.498 ( 0.381 4.079 -0.866) 4.187 24.600 ( 1.696 -4.488 -1.721) 5.097 24.669 ( 3.817 -0.953 -0.567) 3.975 24.778 ( -2.333 0.271 0.582) 2.419 24.871 ( 2.360 -1.801 -0.460) 3.004 25.135 ( 0.852 3.182 1.747) 3.729 25.257 ( -6.200 4.069 2.613) 7.862 25.392 ( -1.455 2.455 1.115) 3.063 25.526 ( 0.363 1.251 0.115) 1.308 25.547 ( 0.986 -3.787 3.302) 5.121 25.721 ( 2.572 -1.160 2.888) 4.037 26.593 ( -7.181 19.266 -13.862) 24.797 26.935 ( -1.616 -13.083 -10.757) 17.015 27.201 ( 4.694 -4.680 -12.566) 14.207 28.668 ( 0.671 0.686 4.634) 4.732 28.716 ( 0.650 2.163 4.245) 4.808 28.787 ( 1.222 -3.317 2.722) 4.461 28.906 ( -12.870 1.822 12.707) 18.177 29.184 ( 4.256 16.518 14.132) 22.151 29.576 ( 7.318 -20.473 17.318) 27.795 ======================= Grid point 119 (36/50) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( -5.540 -11.080 0.410) 12.395 1.005 ( 5.540 11.080 0.410) 12.395 1.377 ( 0.000 0.000 8.942) 8.942 1.670 ( -0.751 -1.502 9.580) 9.726 1.670 ( 0.751 1.502 9.580) 9.726 2.139 ( -0.000 0.000 2.873) 2.873 2.383 ( -1.701 -3.403 13.247) 13.783 2.383 ( 1.701 3.403 13.247) 13.783 2.470 ( 0.000 -0.000 8.984) 8.984 2.482 ( -2.260 -4.520 16.086) 16.861 2.482 ( 2.260 4.520 16.086) 16.861 2.643 ( -0.000 0.000 4.871) 4.871 2.769 ( 0.000 -0.000 0.917) 0.917 2.845 ( -3.373 -6.745 -2.249) 7.870 2.845 ( 3.373 6.745 -2.249) 7.870 2.966 ( -0.000 0.000 13.799) 13.799 2.975 ( -0.572 -1.144 8.275) 8.373 2.975 ( 0.572 1.144 8.275) 8.373 3.289 ( -1.044 -2.089 5.622) 6.088 3.289 ( 1.044 2.089 5.622) 6.088 3.319 ( 0.000 0.000 1.639) 1.639 3.413 ( -0.000 0.000 6.419) 6.419 3.448 ( -0.410 -0.820 5.492) 5.568 3.448 ( 0.410 0.820 5.492) 5.568 3.577 ( -1.189 -2.378 7.540) 7.995 3.577 ( 1.189 2.378 7.540) 7.995 3.755 ( 0.000 0.000 13.124) 13.124 3.970 ( 0.000 0.000 5.061) 5.061 3.994 ( -3.295 -6.590 11.530) 13.683 3.994 ( 3.295 6.590 11.530) 13.683 4.139 ( 0.000 0.000 12.076) 12.076 4.434 ( -1.471 -2.941 -16.736) 17.056 4.434 ( 1.471 2.941 -16.736) 17.056 4.559 ( 0.000 0.000 -8.377) 8.377 5.029 ( -2.934 -5.867 9.706) 11.715 5.029 ( 2.934 5.867 9.706) 11.715 5.320 ( -2.425 -4.849 -3.519) 6.464 5.320 ( 2.425 4.849 -3.519) 6.464 5.482 ( -0.000 -0.000 -1.436) 1.436 5.512 ( -1.268 -2.535 -1.649) 3.279 5.512 ( 1.268 2.535 -1.649) 3.279 5.639 ( -0.000 0.000 -0.599) 0.599 5.674 ( -1.795 -3.590 1.265) 4.209 5.674 ( 1.795 3.590 1.265) 4.209 5.782 ( 0.000 0.000 -8.551) 8.551 5.914 ( -0.836 -1.671 -0.700) 1.995 5.914 ( 0.836 1.671 -0.700) 1.995 6.096 ( 0.000 0.000 3.128) 3.128 6.189 ( 0.000 0.000 1.051) 1.051 6.268 ( -1.537 -3.074 1.320) 3.681 6.268 ( 1.537 3.074 1.320) 3.681 6.840 ( -2.605 -5.211 1.044) 5.919 6.840 ( 2.605 5.211 1.044) 5.919 6.936 ( 0.000 -0.000 1.027) 1.027 7.007 ( 0.000 0.000 0.957) 0.957 7.114 ( 0.001 0.000 0.553) 0.553 7.115 ( -1.252 -2.502 -1.273) 3.074 7.115 ( 1.251 2.502 -1.273) 3.074 7.334 ( -4.629 -9.258 1.632) 10.479 7.334 ( 4.629 9.258 1.632) 10.479 7.820 ( 0.000 0.000 0.229) 0.229 7.992 ( -3.930 -7.860 -1.181) 8.867 7.992 ( 3.930 7.860 -1.181) 8.867 8.877 ( -2.159 -4.319 1.837) 5.166 8.877 ( 2.159 4.319 1.837) 5.166 8.946 ( 0.000 0.000 1.925) 1.925 9.071 ( 0.000 0.000 -4.417) 4.417 9.103 ( -0.252 -0.503 0.644) 0.855 9.103 ( 0.252 0.503 0.644) 0.855 9.267 ( -3.697 -7.393 -8.313) 11.723 9.267 ( 3.696 7.393 -8.313) 11.723 9.271 ( 0.000 -0.000 -3.207) 3.207 10.022 ( 0.000 0.000 5.140) 5.140 10.080 ( -0.317 -0.634 3.369) 3.443 10.080 ( 0.317 0.634 3.369) 3.443 10.729 ( 0.000 -0.000 -8.916) 8.916 10.806 ( -1.819 -3.637 -4.711) 6.224 10.806 ( 1.819 3.637 -4.711) 6.224 11.074 ( -2.114 -4.227 0.932) 4.817 11.074 ( 2.114 4.227 0.932) 4.817 11.294 ( 0.000 0.000 2.141) 2.141 12.006 ( -0.557 -1.114 4.605) 4.770 12.006 ( 0.557 1.114 4.605) 4.770 12.011 ( 0.000 0.000 5.757) 5.757 13.638 ( 0.000 0.000 -4.423) 4.423 13.762 ( -0.418 -0.837 -5.967) 6.039 13.762 ( 0.418 0.837 -5.967) 6.039 13.980 ( -0.000 -0.000 2.657) 2.657 13.985 ( -0.667 -1.334 2.701) 3.085 13.985 ( 0.667 1.334 2.701) 3.085 14.305 ( -0.940 -1.881 -4.648) 5.101 14.305 ( 0.940 1.881 -4.648) 5.101 14.305 ( 0.000 -0.000 -5.550) 5.550 14.536 ( -0.473 -0.945 -3.098) 3.273 14.536 ( 0.473 0.945 -3.098) 3.273 14.574 ( -0.000 0.000 -5.777) 5.777 15.004 ( 0.000 0.000 -10.103) 10.103 15.118 ( -0.718 -1.436 -7.397) 7.569 15.118 ( 0.718 1.436 -7.397) 7.569 15.193 ( -0.000 0.000 4.196) 4.196 15.273 ( -1.635 -3.269 -1.183) 3.842 15.273 ( 1.635 3.269 -1.183) 3.842 24.160 ( -0.525 -1.051 1.342) 1.784 24.160 ( 0.525 1.051 1.342) 1.784 24.212 ( 0.000 0.000 1.818) 1.818 24.508 ( 0.000 0.000 -1.021) 1.021 24.527 ( -0.941 -1.882 -1.127) 2.387 24.527 ( 0.941 1.882 -1.127) 2.387 24.624 ( 0.000 0.000 -0.340) 0.340 24.817 ( -0.763 -1.526 0.571) 1.799 24.817 ( 0.763 1.526 0.571) 1.799 25.146 ( 0.000 0.000 1.910) 1.910 25.389 ( -1.351 -2.703 3.521) 4.640 25.389 ( 1.351 2.703 3.521) 4.640 25.517 ( -0.173 -0.346 0.312) 0.496 25.517 ( 0.173 0.346 0.312) 0.496 25.684 ( 0.000 0.000 2.138) 2.138 26.834 ( -3.411 -6.822 -12.133) 14.331 26.834 ( 3.411 6.822 -12.133) 14.331 27.103 ( 0.000 0.000 -14.578) 14.578 28.659 ( 0.000 0.000 4.493) 4.493 28.744 ( -0.716 -1.432 2.998) 3.399 28.744 ( 0.716 1.432 2.998) 3.399 29.103 ( 0.000 0.000 16.826) 16.826 29.282 ( -4.439 -8.879 14.640) 17.688 29.282 ( 4.439 8.879 14.640) 17.688 ======================= Grid point 129 (37/50) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 0.000 -0.000 -6.185) 6.185 0.471 ( 0.000 0.000 -6.185) 6.185 1.571 ( 0.000 -0.000 20.575) 20.575 1.571 ( 0.000 0.000 20.575) 20.575 2.005 ( 0.000 0.000 -10.005) 10.005 2.005 ( 0.000 0.000 -10.005) 10.005 2.036 ( 0.000 -0.000 -1.778) 1.778 2.036 ( 0.000 0.000 -1.778) 1.778 2.337 ( 0.000 -0.000 -3.741) 3.741 2.337 ( 0.000 0.000 -3.741) 3.741 2.647 ( 0.000 0.000 6.603) 6.603 2.715 ( -0.000 0.000 4.664) 4.664 2.981 ( 0.000 0.000 7.760) 7.760 3.109 ( 0.000 0.000 0.074) 0.074 3.116 ( 0.000 -0.000 2.787) 2.787 3.116 ( 0.000 0.000 2.787) 2.787 3.191 ( 0.000 0.000 26.045) 26.045 3.216 ( 0.000 -0.000 16.297) 16.297 3.289 ( 0.000 -0.000 5.578) 5.578 3.289 ( 0.000 0.000 5.578) 5.578 3.409 ( -0.000 -0.000 2.075) 2.075 3.409 ( 0.000 0.000 2.075) 2.075 3.486 ( 0.000 0.000 5.333) 5.333 3.654 ( 0.000 0.000 14.230) 14.230 3.812 ( 0.000 0.000 -1.133) 1.133 3.833 ( 0.000 0.000 2.399) 2.399 3.833 ( -0.000 0.000 2.399) 2.399 3.864 ( 0.000 0.000 0.226) 0.226 3.968 ( 0.000 -0.000 3.332) 3.332 3.968 ( 0.000 0.000 3.332) 3.332 4.216 ( 0.000 -0.000 1.685) 1.685 4.216 ( -0.000 -0.000 1.685) 1.685 4.267 ( 0.000 0.000 -23.658) 23.658 4.781 ( 0.000 0.000 1.562) 1.562 4.781 ( 0.000 0.000 1.562) 1.562 4.899 ( -0.000 0.000 17.652) 17.652 5.161 ( 0.000 -0.000 1.453) 1.453 5.161 ( -0.000 0.000 1.453) 1.453 5.328 ( 0.000 0.000 -3.025) 3.025 5.328 ( 0.000 0.000 -3.025) 3.025 5.333 ( 0.000 -0.000 -20.835) 20.835 5.450 ( 0.000 -0.000 -19.959) 19.959 5.790 ( 0.000 0.000 -0.298) 0.298 5.806 ( 0.000 0.000 0.621) 0.621 5.806 ( 0.000 0.000 0.621) 0.621 6.111 ( 0.000 -0.000 -0.126) 0.126 6.111 ( 0.000 -0.000 -0.126) 0.126 6.262 ( -0.000 -0.000 2.808) 2.808 6.262 ( 0.000 0.000 2.808) 2.808 6.637 ( 0.000 0.000 5.058) 5.058 6.704 ( 0.000 -0.000 -1.131) 1.131 6.704 ( 0.000 0.000 -1.131) 1.131 6.819 ( 0.000 0.000 -0.982) 0.982 6.819 ( 0.000 0.000 -0.982) 0.982 6.878 ( 0.000 0.000 3.528) 3.528 7.001 ( -0.000 -0.000 3.886) 3.886 7.153 ( 0.000 0.000 -5.307) 5.307 7.244 ( 0.000 0.000 -6.180) 6.180 7.762 ( 0.000 -0.000 0.632) 0.632 7.762 ( 0.000 0.000 0.632) 0.632 7.787 ( 0.000 -0.000 0.513) 0.513 7.787 ( 0.000 0.000 0.513) 0.513 7.833 ( 0.000 0.000 1.030) 1.030 8.357 ( 0.000 0.000 1.256) 1.256 8.586 ( 0.000 0.000 4.105) 4.105 9.072 ( 0.000 0.000 0.313) 0.313 9.072 ( 0.000 0.000 0.313) 0.313 9.141 ( 0.000 -0.000 -0.421) 0.421 9.141 ( 0.000 0.000 -0.421) 0.421 9.189 ( 0.000 -0.000 0.272) 0.272 9.189 ( 0.000 0.000 0.272) 0.272 10.250 ( 0.000 -0.000 2.083) 2.083 10.250 ( 0.000 0.000 2.083) 2.083 10.363 ( 0.000 0.000 -2.360) 2.360 10.536 ( 0.000 -0.000 -1.659) 1.659 10.536 ( 0.000 -0.000 -1.659) 1.659 10.625 ( 0.000 -0.000 4.323) 4.323 10.799 ( 0.000 -0.000 0.652) 0.652 11.209 ( -0.000 -0.000 1.265) 1.265 11.209 ( 0.000 0.000 1.265) 1.265 11.289 ( 0.000 0.000 0.627) 0.627 11.289 ( 0.000 0.000 0.627) 0.627 11.409 ( 0.000 0.000 -3.355) 3.355 11.430 ( 0.000 0.000 -5.035) 5.035 13.659 ( 0.000 -0.000 -2.927) 2.927 13.659 ( 0.000 0.000 -2.927) 2.927 13.870 ( 0.000 -0.000 -3.058) 3.058 13.870 ( 0.000 0.000 -3.058) 3.058 14.147 ( -0.000 0.000 1.313) 1.313 14.164 ( 0.000 -0.000 -0.304) 0.304 14.208 ( 0.000 -0.000 0.073) 0.073 14.208 ( -0.000 0.000 0.073) 0.073 14.364 ( 0.000 -0.000 -0.024) 0.024 14.364 ( 0.000 0.000 -0.024) 0.024 14.407 ( 0.000 0.000 -4.742) 4.742 14.805 ( 0.000 -0.000 0.314) 0.314 14.841 ( 0.000 0.000 0.144) 0.144 15.138 ( 0.000 -0.000 -1.874) 1.874 15.138 ( -0.000 0.000 -1.874) 1.874 15.170 ( 0.000 -0.000 -2.063) 2.063 15.170 ( 0.000 0.000 -2.063) 2.063 15.447 ( 0.000 -0.000 1.197) 1.197 24.256 ( 0.000 -0.000 -0.185) 0.185 24.256 ( 0.000 0.000 -0.185) 0.185 24.266 ( -0.000 0.000 -0.100) 0.100 24.266 ( 0.000 0.000 -0.100) 0.100 24.667 ( 0.000 -0.000 0.047) 0.047 24.667 ( 0.000 -0.000 0.047) 0.047 24.678 ( 0.000 0.000 1.403) 1.403 24.862 ( 0.000 0.000 -0.363) 0.363 24.947 ( -0.000 0.000 -0.404) 0.404 24.947 ( 0.000 0.000 -0.404) 0.404 25.094 ( -0.000 -0.000 -0.667) 0.667 25.094 ( 0.000 0.000 -0.667) 0.667 25.461 ( 0.000 -0.000 0.467) 0.467 25.461 ( -0.000 0.000 0.467) 0.467 25.758 ( 0.000 0.000 2.820) 2.820 25.901 ( 0.000 -0.000 2.851) 2.851 27.319 ( 0.000 0.000 -3.532) 3.532 27.409 ( 0.000 0.000 -3.822) 3.822 28.734 ( 0.000 0.000 3.199) 3.199 28.734 ( 0.000 0.000 3.199) 3.199 28.780 ( 0.000 -0.000 3.277) 3.277 28.780 ( 0.000 0.000 3.277) 3.277 29.018 ( 0.000 0.000 0.756) 0.756 30.634 ( 0.000 0.000 0.130) 0.130 ======================= Grid point 130 (38/50) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 4.778 10.597 0.060) 11.625 0.698 ( 16.581 3.554 -8.071) 18.781 1.704 ( 11.054 4.901 18.845) 22.391 1.769 ( 8.324 5.317 14.422) 17.480 1.860 ( -7.073 -3.456 2.245) 8.186 1.989 ( -0.645 1.612 1.399) 2.230 2.058 ( 1.275 2.263 -9.856) 10.193 2.113 ( 5.248 1.564 -7.931) 9.638 2.324 ( 1.834 -2.490 -0.506) 3.133 2.434 ( 6.695 5.200 -7.581) 11.372 2.642 ( -0.381 -0.347 5.698) 5.721 2.718 ( 0.182 -0.478 3.033) 3.075 3.001 ( 0.676 0.434 3.358) 3.452 3.081 ( -2.817 -1.235 8.228) 8.784 3.121 ( -2.047 1.054 7.273) 7.629 3.142 ( 0.913 1.254 4.697) 4.946 3.162 ( 0.053 0.448 8.000) 8.013 3.206 ( -0.300 0.552 16.215) 16.227 3.289 ( -0.752 0.175 8.457) 8.492 3.326 ( 3.562 -1.210 4.577) 5.925 3.412 ( -0.250 -0.583 2.084) 2.179 3.422 ( 2.017 1.603 2.402) 3.522 3.488 ( 0.792 -0.985 0.641) 1.417 3.642 ( -5.318 -3.033 3.449) 7.026 3.665 ( -1.884 -1.243 9.463) 9.728 3.749 ( -1.994 -4.957 3.458) 6.364 3.775 ( -4.057 1.025 2.400) 4.824 3.975 ( -2.034 3.488 -0.591) 4.081 4.004 ( 5.669 -1.156 3.740) 6.889 4.089 ( 7.344 0.454 4.020) 8.385 4.180 ( 0.369 3.120 -1.956) 3.701 4.221 ( 0.591 -2.448 -2.718) 3.706 4.335 ( 2.391 5.957 -7.129) 9.593 4.703 ( -5.028 -2.103 1.546) 5.665 4.858 ( 6.195 1.523 -0.475) 6.398 4.985 ( 4.821 3.943 14.401) 15.690 5.083 ( -3.330 0.327 -1.448) 3.646 5.181 ( 4.390 -2.624 2.107) 5.531 5.346 ( 1.582 0.097 -16.775) 16.850 5.362 ( 3.017 3.382 -1.658) 4.826 5.428 ( 5.276 1.960 -7.660) 9.505 5.648 ( 11.413 10.641 -7.871) 17.477 5.741 ( -4.884 -3.650 0.963) 6.173 5.772 ( -1.199 -1.559 -2.135) 2.902 5.893 ( 7.143 3.870 -0.477) 8.138 6.045 ( -4.631 -2.831 -0.137) 5.429 6.136 ( 0.211 2.757 -1.566) 3.177 6.229 ( -2.468 -2.569 3.911) 5.290 6.264 ( -3.110 1.581 -1.353) 3.742 6.434 ( -7.347 -8.255 0.565) 11.065 6.545 ( -11.397 -5.920 0.395) 12.849 6.583 ( -9.857 -5.116 -0.066) 11.106 6.664 ( -8.883 -4.656 0.226) 10.032 6.866 ( 6.501 5.216 1.454) 8.460 6.948 ( -4.661 0.016 4.734) 6.643 7.103 ( 6.588 3.804 2.108) 7.894 7.152 ( -0.696 -5.128 -2.388) 5.700 7.279 ( 5.981 0.583 -6.925) 9.169 7.567 ( -7.088 -3.958 0.834) 8.161 7.624 ( -5.222 0.297 0.148) 5.232 7.725 ( -8.039 -4.701 1.810) 9.486 8.027 ( 11.656 4.458 0.405) 12.486 8.076 ( 10.787 8.314 -1.775) 13.734 8.424 ( 5.873 3.022 1.027) 6.684 8.512 ( -0.709 -0.588 2.667) 2.822 8.961 ( -8.570 -4.861 -0.431) 9.862 9.004 ( -6.263 -3.007 -0.750) 6.988 9.097 ( 0.334 -1.671 0.483) 1.771 9.176 ( 1.978 3.011 1.180) 3.791 9.206 ( -1.189 -0.124 0.012) 1.195 9.247 ( 2.084 0.040 0.044) 2.085 10.117 ( -15.465 -9.075 -2.502) 18.105 10.240 ( -1.072 -1.138 1.747) 2.345 10.311 ( -0.000 0.633 3.996) 4.046 10.425 ( -7.480 -3.240 0.516) 8.168 10.654 ( 4.065 4.238 2.550) 6.402 10.697 ( 2.848 2.112 2.476) 4.324 10.772 ( 3.131 -1.723 -5.124) 6.247 11.097 ( -5.644 -2.331 -1.930) 6.404 11.111 ( -6.499 -3.872 -2.796) 8.065 11.246 ( 4.460 1.455 -0.779) 4.755 11.364 ( 4.379 3.344 0.948) 5.591 11.550 ( 7.018 2.100 -0.044) 7.325 11.677 ( 15.416 6.775 0.404) 16.844 13.640 ( -0.851 -0.286 -3.056) 3.185 13.652 ( -0.903 0.752 -3.674) 3.857 13.881 ( 0.514 -0.212 -1.235) 1.355 13.927 ( 3.036 2.665 -3.621) 5.425 14.085 ( -0.903 -3.283 -0.355) 3.423 14.149 ( -1.023 0.323 1.481) 1.829 14.206 ( 0.208 2.074 0.503) 2.144 14.280 ( 1.526 1.140 2.188) 2.901 14.336 ( -0.629 0.055 -0.874) 1.078 14.390 ( 1.241 -0.102 -3.344) 3.568 14.473 ( 4.536 3.022 -3.541) 6.500 14.711 ( -7.258 -3.889 -0.744) 8.268 14.726 ( -6.987 -4.075 -0.548) 8.107 15.087 ( -2.626 -5.159 -1.099) 5.893 15.102 ( -3.749 -3.722 -1.392) 5.463 15.219 ( 3.020 3.620 -1.324) 4.897 15.246 ( 4.024 5.704 -1.949) 7.247 15.415 ( -2.264 -0.981 0.424) 2.503 24.212 ( -1.925 -1.134 0.288) 2.253 24.233 ( -0.858 0.503 -0.036) 0.995 24.302 ( 1.739 -0.053 -0.571) 1.831 24.316 ( 2.450 1.569 -0.139) 2.912 24.596 ( -4.841 -1.340 2.637) 5.673 24.670 ( -0.616 -0.238 -0.347) 0.746 24.725 ( -5.069 -3.654 -1.504) 6.427 24.797 ( 6.754 2.633 0.564) 7.271 24.909 ( -2.637 -0.015 -0.486) 2.682 24.962 ( -0.412 0.619 -1.001) 1.247 25.151 ( 5.443 -0.476 0.121) 5.465 25.172 ( 4.330 5.054 -0.542) 6.677 25.481 ( 1.561 0.739 0.018) 1.727 25.669 ( 16.120 8.746 -0.858) 18.360 25.742 ( -1.431 -0.650 2.595) 3.034 25.877 ( -1.979 -1.063 2.674) 3.492 27.204 ( -9.144 -5.556 -3.747) 11.337 27.315 ( -7.429 -4.532 -4.029) 9.590 28.707 ( -0.853 -0.913 2.621) 2.904 28.763 ( 3.657 0.443 3.042) 4.778 28.829 ( 2.213 3.004 3.646) 5.217 28.908 ( 7.568 4.403 3.446) 9.409 28.989 ( -0.519 0.005 1.274) 1.376 30.475 ( -13.060 -7.521 2.252) 15.238 ======================= Grid point 131 (39/50) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 4.453 7.295 1.558) 8.688 1.015 ( 13.090 5.145 -5.031) 14.937 1.641 ( -8.080 -3.703 4.825) 10.113 1.827 ( -1.351 -1.131 1.823) 2.535 1.918 ( -4.756 -0.403 4.557) 6.599 1.956 ( 9.618 1.379 9.320) 13.464 2.254 ( 9.553 3.450 -2.093) 10.370 2.298 ( 3.779 -0.174 7.883) 8.744 2.359 ( 9.675 7.583 -4.706) 13.162 2.617 ( 3.042 0.608 1.154) 3.310 2.647 ( 4.953 3.830 -2.177) 6.628 2.702 ( -0.172 -1.153 0.075) 1.168 2.901 ( -8.090 -4.647 5.503) 10.832 3.020 ( -8.535 -1.609 9.946) 13.204 3.079 ( 1.320 1.613 2.522) 3.272 3.172 ( 0.923 0.385 5.038) 5.137 3.189 ( 0.564 1.026 1.807) 2.153 3.217 ( -0.797 2.076 5.566) 5.994 3.286 ( -0.279 0.557 5.148) 5.186 3.368 ( 0.034 -1.519 0.450) 1.584 3.388 ( 2.506 -0.222 3.498) 4.309 3.487 ( -1.260 -0.753 0.213) 1.483 3.511 ( -1.195 -0.474 3.788) 4.000 3.529 ( 2.988 1.405 -0.570) 3.350 3.615 ( -2.829 -1.944 5.771) 6.715 3.702 ( 2.820 -0.880 12.330) 12.679 3.833 ( 5.685 2.526 3.122) 6.960 3.963 ( -2.894 3.077 0.204) 4.229 4.039 ( 2.829 -4.585 8.288) 9.885 4.102 ( -0.465 -2.920 3.263) 4.404 4.193 ( -0.010 -3.803 2.620) 4.618 4.312 ( 1.902 8.415 -6.954) 11.081 4.447 ( 4.045 4.196 6.687) 8.870 4.603 ( -4.454 -0.188 -5.118) 6.787 4.966 ( 5.316 -1.100 -0.185) 5.432 5.085 ( 4.257 3.886 0.105) 5.765 5.128 ( 3.189 1.493 6.345) 7.256 5.261 ( 6.027 0.567 6.251) 8.701 5.378 ( 2.086 0.863 -11.830) 12.043 5.460 ( 0.916 1.594 -3.076) 3.583 5.503 ( 1.502 -0.918 -4.398) 4.737 5.587 ( -3.262 -3.502 1.010) 4.892 5.703 ( -3.780 -0.324 -2.555) 4.574 5.877 ( 0.366 6.033 -0.126) 6.045 5.959 ( 0.357 -0.887 0.211) 0.979 6.035 ( -1.979 -2.846 -1.067) 3.626 6.134 ( -6.163 5.235 -4.183) 9.104 6.179 ( -5.449 -4.424 -0.119) 7.020 6.194 ( 7.379 3.418 -1.850) 8.340 6.246 ( -6.973 -3.745 1.854) 8.129 6.326 ( -7.094 -2.964 -1.648) 7.863 6.457 ( -2.612 1.659 1.296) 3.354 6.633 ( 7.451 4.635 0.197) 8.777 6.836 ( -1.682 -11.169 3.000) 11.687 6.900 ( -3.014 -4.388 -1.554) 5.545 7.089 ( 1.455 4.376 3.965) 6.081 7.242 ( -5.582 -2.304 0.767) 6.087 7.375 ( 9.417 7.227 -1.838) 12.012 7.455 ( -5.058 -2.239 0.430) 5.548 7.540 ( -1.571 0.093 -6.445) 6.634 7.579 ( -2.942 -3.105 3.552) 5.560 8.105 ( -9.483 -4.403 -1.573) 10.573 8.257 ( 8.422 3.613 -0.322) 9.170 8.519 ( 2.870 -0.367 0.744) 2.988 8.685 ( 13.302 6.040 1.437) 14.680 8.880 ( -0.498 2.964 -1.396) 3.314 8.900 ( 0.558 0.253 -1.499) 1.619 9.095 ( 0.190 -0.668 0.653) 0.953 9.131 ( -2.834 -0.530 0.499) 2.927 9.193 ( -2.425 -1.355 0.670) 2.857 9.246 ( -0.912 -1.431 0.304) 1.724 9.707 ( -18.928 -11.414 -3.047) 22.312 10.167 ( -5.260 -5.282 2.789) 7.959 10.248 ( -3.904 -1.203 1.827) 4.475 10.271 ( -5.059 -0.208 1.124) 5.187 10.622 ( -2.605 -2.701 -2.436) 4.474 10.791 ( 1.765 4.126 2.696) 5.235 10.865 ( 3.916 -1.828 -3.315) 5.446 10.961 ( -4.635 -0.540 -2.094) 5.114 11.157 ( 5.116 6.198 0.680) 8.065 11.359 ( 5.375 -0.095 -0.215) 5.381 11.474 ( 5.960 1.436 -1.076) 6.224 11.636 ( 3.856 -3.974 0.750) 5.588 11.979 ( 12.035 3.594 3.636) 13.076 13.641 ( -1.422 3.841 -4.603) 6.162 13.658 ( 1.545 -0.346 -3.149) 3.525 13.839 ( -3.205 -1.785 0.335) 3.684 13.998 ( 1.237 3.818 -2.610) 4.787 14.093 ( 2.086 -1.956 -1.568) 3.261 14.137 ( -0.239 1.697 1.702) 2.416 14.242 ( 0.787 0.539 -0.870) 1.291 14.257 ( -3.705 0.559 5.173) 6.388 14.332 ( -0.760 0.833 -0.715) 1.335 14.411 ( 2.888 -1.246 -4.263) 5.298 14.546 ( -6.023 -3.615 -3.174) 7.708 14.569 ( -3.376 -1.812 -2.916) 4.815 14.621 ( 5.388 2.076 -1.776) 6.041 14.976 ( -5.599 -5.445 -1.574) 7.967 15.008 ( -1.619 -1.569 -1.915) 2.958 15.286 ( 1.150 2.288 -0.082) 2.562 15.343 ( 1.271 1.014 1.777) 2.409 15.387 ( -0.777 3.522 -3.909) 5.319 24.175 ( -1.252 -0.525 0.533) 1.458 24.242 ( 0.075 2.555 0.398) 2.587 24.314 ( 0.594 -1.990 -0.754) 2.210 24.363 ( 1.013 1.415 0.692) 1.873 24.511 ( -2.294 -0.771 2.527) 3.499 24.587 ( -3.731 -3.172 -2.860) 5.671 24.708 ( 0.465 1.584 -0.024) 1.651 24.803 ( -0.910 -4.976 0.001) 5.059 24.881 ( -2.227 1.648 -0.595) 2.833 25.095 ( 5.986 8.687 0.153) 10.550 25.221 ( 4.115 -2.974 0.542) 5.107 25.313 ( 6.308 5.501 0.408) 8.380 25.521 ( 1.679 0.753 -0.169) 1.848 25.682 ( -4.600 -1.667 2.137) 5.339 25.827 ( -1.923 -1.063 2.184) 3.098 26.092 ( 20.137 10.122 -3.433) 22.797 26.930 ( -13.924 -8.954 -4.640) 17.192 27.123 ( -7.265 -5.003 -4.373) 9.845 28.705 ( 1.011 0.207 2.045) 2.290 28.831 ( 3.822 -3.055 2.971) 5.725 28.879 ( -3.033 -0.908 1.447) 3.481 28.892 ( 0.189 4.183 3.578) 5.508 29.238 ( 15.510 9.540 4.953) 18.871 30.095 ( -18.961 -10.818 4.989) 22.393 ======================= Grid point 132 (40/50) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -1.493 1.720 2.228) 3.186 1.167 ( -0.657 0.142 -2.517) 2.605 1.556 ( 1.066 1.719 2.210) 2.996 1.795 ( -0.615 -0.609 2.224) 2.386 1.882 ( 0.167 1.012 6.378) 6.459 2.037 ( 2.974 -3.135 0.438) 4.343 2.254 ( -2.541 -4.632 6.640) 8.486 2.475 ( 7.853 2.410 3.398) 8.889 2.562 ( 1.441 0.859 0.421) 1.730 2.586 ( -1.690 -0.984 4.049) 4.496 2.663 ( -2.526 -0.572 2.267) 3.441 2.720 ( -4.395 -3.552 2.993) 6.395 2.756 ( -3.834 -3.314 2.859) 5.818 2.950 ( 7.082 6.853 -2.258) 10.110 3.115 ( 0.981 0.179 1.043) 1.443 3.172 ( -2.461 0.240 4.121) 4.806 3.189 ( -2.010 2.583 3.355) 4.687 3.216 ( -0.876 2.274 2.106) 3.220 3.278 ( 1.531 0.721 -0.740) 1.847 3.386 ( 2.106 -0.345 2.149) 3.029 3.398 ( -4.449 -0.716 2.293) 5.056 3.442 ( 1.267 0.493 0.553) 1.468 3.520 ( 0.173 -0.561 4.033) 4.076 3.540 ( -0.053 -0.846 3.424) 3.528 3.589 ( 0.886 0.171 4.432) 4.523 3.842 ( -3.104 -0.441 10.158) 10.631 3.861 ( 2.111 -3.435 7.326) 8.362 3.909 ( 1.841 0.251 7.047) 7.288 4.049 ( -1.517 -2.495 4.953) 5.750 4.104 ( 3.726 0.828 -0.322) 3.830 4.138 ( 0.002 -3.933 7.504) 8.472 4.390 ( -1.177 7.377 -7.211) 10.383 4.489 ( -1.057 -1.497 6.069) 6.340 4.573 ( -1.408 2.684 -4.975) 5.826 5.012 ( 1.508 -2.732 0.465) 3.154 5.109 ( -2.008 -4.139 6.919) 8.309 5.228 ( 5.478 4.358 -6.422) 9.500 5.305 ( -5.042 -3.244 3.618) 7.003 5.407 ( 3.498 -1.713 2.899) 4.856 5.433 ( 0.915 0.745 -2.566) 2.824 5.486 ( 2.430 0.744 -5.633) 6.180 5.634 ( -1.962 1.129 -3.426) 4.106 5.657 ( -2.781 1.779 -3.546) 4.845 5.883 ( -0.710 2.468 0.957) 2.741 5.951 ( -1.777 1.288 -0.257) 2.209 6.001 ( 2.113 0.981 -0.223) 2.340 6.018 ( -0.908 -2.315 -0.747) 2.597 6.083 ( -2.774 -1.854 0.885) 3.452 6.156 ( 0.078 0.534 -1.117) 1.241 6.270 ( -1.942 2.461 0.162) 3.139 6.353 ( 0.633 5.365 0.938) 5.483 6.489 ( 3.176 -0.374 -1.360) 3.475 6.616 ( -0.742 -5.923 -1.524) 6.160 6.879 ( 2.419 1.521 1.584) 3.267 6.933 ( -4.819 -3.243 -0.308) 5.817 7.041 ( 4.425 2.928 1.735) 5.582 7.170 ( -0.960 0.691 1.035) 1.572 7.308 ( -1.141 2.173 4.275) 4.929 7.473 ( -4.939 -1.612 -1.395) 5.379 7.586 ( 3.576 -2.663 -5.732) 7.262 7.709 ( 3.460 2.226 -0.469) 4.140 7.819 ( -2.124 -0.521 -1.443) 2.620 8.378 ( 0.124 0.678 -0.814) 1.067 8.510 ( 1.047 -2.175 -0.325) 2.436 8.875 ( -2.073 1.134 1.422) 2.758 8.930 ( 2.181 -1.375 1.499) 2.982 8.940 ( -0.212 0.265 1.055) 1.109 9.088 ( -1.673 -2.976 0.775) 3.501 9.135 ( -0.752 1.271 -1.350) 2.001 9.146 ( 1.405 2.592 -1.479) 3.299 9.284 ( 4.054 1.649 -2.449) 5.015 9.340 ( -3.486 -2.059 -1.841) 4.447 10.059 ( 0.110 -0.511 2.987) 3.032 10.198 ( -0.398 -0.226 -0.545) 0.712 10.250 ( 0.273 0.825 1.648) 1.863 10.583 ( 0.741 -1.024 -3.511) 3.731 10.830 ( -1.198 3.366 1.350) 3.820 10.869 ( -0.283 -2.552 -1.975) 3.239 10.924 ( 0.180 0.304 -1.425) 1.468 11.272 ( 0.579 3.154 1.716) 3.637 11.373 ( -4.754 2.525 4.242) 6.854 11.568 ( 5.074 -7.809 -2.532) 9.651 11.631 ( 3.895 -5.233 -1.003) 6.600 12.108 ( 1.637 -2.966 4.963) 6.009 13.646 ( -1.406 1.532 -5.747) 6.112 13.683 ( -0.780 1.631 -1.757) 2.521 13.795 ( -0.027 1.675 -0.559) 1.766 14.026 ( -1.177 -1.134 -1.270) 2.070 14.076 ( -1.210 2.745 1.382) 3.303 14.167 ( -1.167 1.230 0.782) 1.867 14.217 ( 1.817 0.139 0.601) 1.919 14.242 ( -0.663 -0.113 -0.872) 1.101 14.355 ( 0.566 0.948 2.773) 2.984 14.431 ( -1.951 -2.399 -4.119) 5.151 14.466 ( 2.914 0.956 -2.960) 4.262 14.501 ( -0.333 -1.379 -5.075) 5.269 14.780 ( 0.694 -0.913 -1.918) 2.235 14.820 ( 0.982 -1.126 -3.027) 3.376 14.991 ( -0.074 -0.530 -1.993) 2.064 15.308 ( -0.651 1.844 0.638) 2.057 15.339 ( -0.780 -0.041 1.668) 1.842 15.417 ( -1.570 3.212 -4.152) 5.480 24.163 ( -0.131 0.508 0.458) 0.696 24.274 ( -0.398 0.451 0.618) 0.863 24.281 ( -1.421 1.170 1.051) 2.119 24.387 ( 1.551 -0.397 0.578) 1.702 24.508 ( -1.474 -1.625 -1.317) 2.559 24.520 ( 1.809 0.374 -1.163) 2.183 24.729 ( 0.136 -0.300 0.048) 0.333 24.757 ( -0.256 0.184 0.295) 0.432 24.868 ( -0.306 0.421 -0.564) 0.768 25.206 ( -0.700 -0.069 0.395) 0.807 25.231 ( 0.196 1.132 0.597) 1.295 25.460 ( -0.332 0.749 1.930) 2.097 25.531 ( 0.475 -0.039 0.117) 0.491 25.583 ( -0.826 0.050 1.180) 1.441 25.806 ( -0.134 0.341 1.755) 1.792 26.473 ( 1.925 -0.472 -4.665) 5.069 26.609 ( -0.717 -1.879 -4.694) 5.106 27.030 ( 0.691 -0.732 -4.915) 5.017 28.731 ( 0.236 -0.165 1.545) 1.572 28.798 ( 0.004 -0.354 1.375) 1.420 28.877 ( 3.737 -6.708 4.327) 8.814 28.920 ( -3.697 6.685 2.774) 8.127 29.596 ( 0.422 0.626 5.848) 5.897 29.698 ( -0.702 -0.087 5.489) 5.535 ======================= Grid point 134 (41/50) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -8.779 -0.907 2.477) 9.167 1.016 ( -10.560 -7.738 -4.743) 13.924 1.678 ( 6.410 5.645 1.585) 8.687 1.807 ( 1.793 -0.343 3.096) 3.594 1.905 ( 1.111 -0.822 5.743) 5.907 2.042 ( -0.255 -1.769 2.808) 3.329 2.120 ( -6.505 -4.841 9.182) 12.250 2.313 ( -15.919 -4.806 -0.334) 16.632 2.484 ( -3.978 -4.756 3.518) 7.128 2.512 ( -5.409 -6.176 -7.981) 11.450 2.623 ( 1.175 0.247 4.006) 4.182 2.699 ( 1.966 -0.150 2.203) 2.956 2.882 ( 8.204 6.791 5.892) 12.171 3.068 ( -0.948 0.612 2.799) 3.018 3.123 ( -1.131 2.593 3.631) 4.603 3.164 ( 0.310 0.607 3.502) 3.568 3.205 ( -1.027 -0.479 3.709) 3.878 3.217 ( 1.358 2.815 1.732) 3.573 3.294 ( -5.718 -1.135 10.734) 12.215 3.346 ( 5.441 -1.826 0.138) 5.741 3.409 ( 1.305 -0.386 1.089) 1.743 3.468 ( -2.655 1.089 3.253) 4.338 3.499 ( -2.775 -1.582 0.435) 3.224 3.510 ( 2.410 0.010 3.251) 4.047 3.640 ( 3.303 1.153 3.496) 4.946 3.721 ( 0.407 -2.625 9.881) 10.232 3.796 ( -4.542 -0.490 7.255) 8.573 3.967 ( -3.346 -2.228 -1.018) 4.147 4.024 ( 4.361 -0.972 6.372) 7.782 4.079 ( 0.588 -3.943 8.633) 9.509 4.194 ( 1.579 1.417 0.260) 2.138 4.372 ( -6.990 0.587 -6.793) 9.765 4.442 ( -4.110 -0.044 1.008) 4.232 4.594 ( 2.702 3.657 -1.600) 4.820 4.951 ( -3.161 -5.386 2.866) 6.871 5.026 ( -2.658 -2.538 3.118) 4.819 5.166 ( -5.576 -2.741 5.802) 8.501 5.316 ( -1.392 -0.279 -6.361) 6.517 5.364 ( -1.313 -6.854 -1.707) 7.184 5.468 ( 0.987 -0.146 -5.189) 5.284 5.489 ( -5.314 0.104 -4.373) 6.883 5.631 ( 0.673 5.449 -1.228) 5.626 5.664 ( 3.660 3.071 -1.093) 4.901 5.875 ( -1.454 -0.327 0.764) 1.675 5.975 ( 2.367 -1.508 -0.981) 2.973 6.018 ( 0.943 -2.371 -0.683) 2.642 6.069 ( 3.656 -0.441 0.514) 3.718 6.143 ( -9.331 6.366 -0.744) 11.320 6.208 ( 10.576 7.925 0.399) 13.222 6.280 ( 5.777 2.093 0.082) 6.145 6.359 ( 0.876 -1.930 -4.464) 4.942 6.484 ( 2.052 -0.006 -0.992) 2.279 6.630 ( -6.980 -3.211 0.340) 7.691 6.813 ( 8.895 4.918 4.311) 11.041 6.901 ( 0.065 4.157 -0.913) 4.256 7.146 ( -4.889 -3.878 -0.429) 6.255 7.179 ( 2.928 1.248 4.953) 5.887 7.377 ( -6.023 -3.353 -2.213) 7.240 7.448 ( -1.008 -0.330 1.044) 1.488 7.482 ( 10.610 4.277 1.092) 11.492 7.661 ( 1.801 -1.182 -5.214) 5.641 8.097 ( 9.186 4.921 -0.907) 10.461 8.264 ( -9.269 -2.826 -0.891) 9.731 8.521 ( -1.656 -1.544 0.577) 2.337 8.670 ( -11.578 -8.284 2.798) 14.509 8.879 ( 0.998 1.230 -0.405) 1.635 8.906 ( -3.424 -0.631 -2.875) 4.516 9.098 ( 0.721 -0.617 0.370) 1.018 9.131 ( 3.732 0.168 0.595) 3.783 9.205 ( 1.311 1.686 -0.430) 2.178 9.240 ( 0.578 1.135 0.849) 1.531 9.702 ( 19.303 11.261 -2.405) 22.477 10.179 ( 7.990 5.822 3.099) 10.361 10.222 ( 2.690 0.907 1.372) 3.153 10.286 ( 2.986 0.956 1.092) 3.320 10.631 ( 4.062 1.846 -3.257) 5.524 10.798 ( -5.019 0.418 2.760) 5.744 10.826 ( -2.484 -1.996 -0.495) 3.225 10.969 ( 3.539 2.925 -3.039) 5.506 11.198 ( -4.526 -8.167 -2.917) 9.782 11.300 ( -6.277 2.726 4.395) 8.133 11.493 ( -3.095 -5.951 -1.954) 6.987 11.653 ( 2.125 -5.805 -0.918) 6.249 11.975 ( -9.591 -8.486 4.085) 13.442 13.629 ( -0.231 -0.927 -3.727) 3.847 13.667 ( -3.051 3.320 -3.771) 5.878 13.861 ( 3.521 2.515 -1.183) 4.486 13.969 ( -2.291 -2.585 -0.147) 3.457 14.079 ( -2.470 0.903 -0.813) 2.752 14.151 ( 0.472 -0.740 1.669) 1.886 14.251 ( 0.228 1.615 -1.015) 1.921 14.257 ( 0.390 1.326 1.079) 1.753 14.337 ( -1.379 -0.202 3.921) 4.161 14.405 ( 0.248 -1.581 -6.759) 6.946 14.539 ( 4.886 2.352 -2.412) 5.935 14.578 ( 5.291 3.330 -3.539) 7.184 14.625 ( -5.968 -3.086 -2.137) 7.050 14.981 ( 8.149 0.410 -1.858) 8.368 15.002 ( 2.576 0.973 -1.588) 3.179 15.297 ( -3.800 2.532 -1.066) 4.689 15.317 ( -1.368 -1.568 2.626) 3.351 15.398 ( -2.089 1.603 -3.357) 4.266 24.180 ( 0.909 1.350 0.148) 1.634 24.234 ( -1.089 -0.962 1.171) 1.866 24.306 ( -0.363 2.023 -0.118) 2.059 24.379 ( -1.196 -2.663 -0.754) 3.015 24.510 ( 2.134 2.543 2.786) 4.334 24.591 ( 4.802 1.199 -3.290) 5.943 24.705 ( -0.395 -1.990 0.222) 2.041 24.801 ( 0.799 5.480 0.154) 5.540 24.880 ( 1.896 -0.896 -0.492) 2.154 25.085 ( -7.624 -6.700 1.117) 10.211 25.232 ( -3.751 2.915 -0.522) 4.779 25.317 ( -6.313 -5.485 -0.058) 8.363 25.514 ( -1.763 -1.335 0.521) 2.272 25.678 ( 4.195 2.611 2.549) 5.560 25.828 ( 1.649 1.540 2.049) 3.048 26.098 ( -18.909 -12.478 -4.107) 23.024 26.921 ( 14.922 7.669 -3.717) 17.184 27.129 ( 7.959 3.817 -4.955) 10.123 28.706 ( -0.666 -0.953 1.949) 2.270 28.832 ( -1.212 -1.504 2.791) 3.394 28.864 ( 3.643 -3.453 3.242) 5.976 28.904 ( -3.132 4.421 2.124) 5.819 29.240 ( -16.084 -8.727 4.691) 18.891 30.093 ( 18.921 11.058 5.183) 22.519 ======================= Grid point 135 (42/50) ======================= q-point: (-0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -10.562 0.810 0.457) 10.603 0.708 ( -11.995 -11.955 -8.108) 18.776 1.707 ( -8.634 -6.430 16.645) 19.823 1.755 ( -8.227 -4.310 16.249) 18.716 1.913 ( 1.537 1.915 0.730) 2.562 1.968 ( -0.004 1.574 -0.292) 1.601 2.068 ( -0.325 1.661 -4.447) 4.758 2.085 ( -3.185 -3.590 -9.091) 10.280 2.334 ( -2.487 -4.774 -1.233) 5.522 2.418 ( -4.335 -1.464 -6.889) 8.270 2.641 ( 0.621 0.226 5.346) 5.387 2.717 ( 0.382 -0.399 3.301) 3.347 2.998 ( -0.286 0.086 3.574) 3.586 3.105 ( 1.375 1.297 0.545) 1.967 3.122 ( 0.649 3.852 15.487) 15.973 3.134 ( -1.879 -1.484 5.516) 6.013 3.151 ( -1.042 -0.603 4.832) 4.980 3.218 ( -1.529 -0.084 17.712) 17.778 3.273 ( 1.308 0.734 5.746) 5.939 3.338 ( -1.367 -3.355 6.682) 7.601 3.401 ( -0.995 -0.350 3.613) 3.764 3.446 ( -1.873 -1.720 0.941) 2.712 3.478 ( 1.962 0.250 0.644) 2.080 3.634 ( 7.659 3.598 2.980) 8.971 3.664 ( -0.556 -0.336 10.534) 10.554 3.759 ( 2.987 1.445 1.164) 3.517 3.788 ( 3.531 2.177 3.120) 5.190 3.949 ( -0.163 2.720 0.663) 2.805 4.007 ( -4.056 -4.475 3.060) 6.771 4.051 ( -0.533 -2.904 3.812) 4.822 4.210 ( -0.732 -0.093 -3.483) 3.560 4.229 ( -3.397 -3.400 2.974) 5.652 4.343 ( -6.605 0.621 -12.116) 13.813 4.711 ( 4.564 3.806 1.372) 6.099 4.837 ( -3.478 -4.387 2.369) 6.079 4.969 ( -3.644 -1.160 11.577) 12.193 5.084 ( -0.096 1.124 1.820) 2.141 5.219 ( -2.320 -5.142 -0.640) 5.677 5.325 ( -0.858 -1.273 -9.726) 9.846 5.390 ( -4.520 -0.308 -8.324) 9.477 5.412 ( -3.603 -3.984 -7.652) 9.349 5.624 ( -10.857 -2.675 -5.023) 12.258 5.760 ( 2.576 1.901 -0.905) 3.327 5.782 ( 0.831 -2.187 -4.045) 4.673 5.882 ( -6.639 -2.510 0.887) 7.153 6.050 ( 5.439 1.157 0.130) 5.562 6.121 ( -1.942 3.141 -1.012) 3.829 6.193 ( 4.871 3.626 3.395) 6.957 6.310 ( -1.762 -1.121 -1.773) 2.740 6.425 ( 8.548 3.952 1.367) 9.516 6.550 ( 13.543 5.261 -0.182) 14.530 6.584 ( 11.556 5.608 -0.057) 12.845 6.675 ( 5.191 5.967 -0.875) 7.957 6.847 ( -6.003 -0.547 3.219) 6.834 7.008 ( -0.067 -2.663 0.294) 2.680 7.036 ( -2.835 2.772 4.692) 6.143 7.192 ( 1.637 -0.288 0.156) 1.669 7.230 ( -1.739 -6.455 -6.021) 8.997 7.571 ( 5.865 5.859 0.387) 8.299 7.653 ( 2.660 0.174 -2.506) 3.658 7.724 ( 7.949 4.276 1.841) 9.212 8.032 ( -12.401 -4.070 -0.032) 13.052 8.063 ( -10.474 -7.660 -0.534) 12.987 8.421 ( -5.271 -3.363 1.254) 6.377 8.513 ( 0.842 0.280 2.595) 2.743 8.967 ( 7.814 4.902 -1.005) 9.278 8.998 ( 6.557 3.634 -0.248) 7.501 9.096 ( 0.361 -0.161 0.619) 0.735 9.184 ( -4.221 -1.344 0.510) 4.459 9.204 ( 2.337 -0.130 0.093) 2.342 9.244 ( -1.540 -0.359 0.371) 1.624 10.112 ( 15.415 9.040 -1.970) 17.979 10.251 ( 0.984 0.644 0.668) 1.352 10.316 ( -1.057 -1.122 3.732) 4.038 10.413 ( 8.296 5.534 1.450) 10.077 10.647 ( -6.160 -1.122 3.472) 7.159 10.710 ( -6.026 -2.893 1.115) 6.777 10.762 ( 3.220 -0.895 -4.348) 5.484 11.104 ( 5.484 3.531 -2.545) 7.001 11.116 ( 5.858 0.317 -3.576) 6.870 11.223 ( -3.074 0.072 1.679) 3.504 11.374 ( -5.887 -1.953 -0.025) 6.202 11.567 ( -4.740 -6.435 -1.711) 8.173 11.666 ( -14.191 -9.485 1.580) 17.142 13.635 ( 1.298 0.235 -3.009) 3.286 13.657 ( -0.840 1.636 -3.714) 4.145 13.902 ( -2.500 -2.117 -1.272) 3.514 13.907 ( -1.192 -0.060 -3.693) 3.881 14.070 ( 3.319 0.527 1.085) 3.531 14.156 ( 0.199 -0.179 0.749) 0.796 14.233 ( -3.115 1.929 -1.458) 3.943 14.260 ( -0.581 -2.152 2.325) 3.221 14.335 ( 0.625 1.096 1.569) 2.013 14.390 ( -0.992 -1.141 -4.790) 5.022 14.476 ( -4.988 -2.573 -3.358) 6.540 14.712 ( 7.110 4.142 -0.744) 8.262 14.725 ( 6.824 4.252 -0.562) 8.060 15.091 ( 5.698 1.865 -1.105) 6.096 15.102 ( 5.608 -1.501 -1.794) 6.076 15.223 ( -6.362 0.120 -1.434) 6.523 15.237 ( -5.313 -0.728 -1.249) 5.507 15.417 ( 1.801 1.348 0.305) 2.270 24.217 ( 1.592 1.551 -0.103) 2.225 24.227 ( 0.659 0.283 0.464) 0.854 24.299 ( -1.390 -0.260 -0.289) 1.443 24.320 ( -2.318 -2.343 -0.499) 3.333 24.598 ( 3.401 3.523 2.471) 5.484 24.671 ( 0.270 -0.101 -0.374) 0.472 24.723 ( 6.307 2.017 -1.423) 6.773 24.802 ( -7.181 -2.421 0.051) 7.579 24.909 ( 2.103 1.206 -0.424) 2.461 24.948 ( 0.976 0.076 0.248) 1.009 25.162 ( -5.116 -0.814 -0.938) 5.265 25.172 ( -4.788 -4.881 -0.599) 6.863 25.474 ( -1.179 -0.894 0.767) 1.666 25.674 ( -15.645 -9.578 -1.276) 18.388 25.741 ( 1.375 0.929 2.675) 3.148 25.878 ( 1.822 1.158 2.607) 3.385 27.202 ( 9.648 5.288 -3.515) 11.550 27.317 ( 7.431 4.052 -4.213) 9.455 28.707 ( 1.244 0.095 2.698) 2.973 28.764 ( -2.496 -2.359 2.980) 4.547 28.829 ( -3.113 -1.044 3.611) 4.881 28.908 ( -7.966 -4.026 3.463) 9.574 28.989 ( 0.244 0.331 1.236) 1.302 30.474 ( 13.085 7.573 2.289) 15.291 ======================= Grid point 137 (43/50) ======================= q-point: ( 0.17 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 8.843 8.059 -7.506) 14.124 0.850 ( 4.742 14.565 1.175) 15.363 1.730 ( -6.127 -5.806 2.061) 8.690 1.804 ( 1.045 -2.759 6.078) 6.756 1.857 ( 1.729 3.917 8.377) 9.408 2.004 ( -2.511 1.605 6.715) 7.347 2.142 ( 6.495 2.124 -0.775) 6.878 2.269 ( 7.877 14.055 5.423) 17.000 2.353 ( -0.989 7.099 -5.379) 8.961 2.522 ( 7.255 3.161 -4.727) 9.218 2.627 ( -0.369 -1.149 4.365) 4.529 2.698 ( -0.632 -1.484 3.449) 3.807 2.957 ( -3.678 -5.941 5.239) 8.734 3.060 ( -2.790 -3.909 1.424) 5.009 3.129 ( -1.287 1.549 7.748) 8.005 3.162 ( -0.337 0.432 3.430) 3.474 3.191 ( 1.115 2.315 1.480) 2.965 3.259 ( 0.898 -1.854 4.952) 5.363 3.276 ( 0.338 4.409 7.181) 8.433 3.317 ( 1.772 2.177 6.525) 7.103 3.403 ( -0.217 -0.014 3.330) 3.337 3.469 ( 1.066 0.857 0.155) 1.377 3.493 ( 2.424 3.670 1.985) 4.825 3.526 ( -2.261 -5.727 1.946) 6.457 3.647 ( -2.119 -2.074 6.120) 6.800 3.673 ( -1.660 -1.356 10.099) 10.324 3.819 ( 1.488 2.784 3.141) 4.453 3.944 ( 1.869 -0.627 1.445) 2.444 4.031 ( -0.991 -0.606 3.623) 3.805 4.057 ( 1.386 -1.928 4.528) 5.113 4.254 ( -0.329 4.450 3.781) 5.848 4.277 ( 2.657 4.071 3.700) 6.110 4.463 ( 2.136 5.598 -8.227) 10.178 4.639 ( -1.855 -3.726 -4.705) 6.282 4.898 ( 2.839 3.152 4.047) 5.863 5.036 ( 3.868 0.655 5.460) 6.723 5.126 ( 0.930 4.253 2.614) 5.078 5.221 ( -0.526 6.039 5.345) 8.082 5.343 ( 1.211 -0.789 -12.024) 12.111 5.454 ( 1.781 3.782 -3.355) 5.360 5.485 ( 2.397 3.930 -4.688) 6.570 5.655 ( -6.197 -3.793 0.112) 7.267 5.736 ( 0.130 -2.373 -2.454) 3.416 5.897 ( 5.151 1.707 -2.531) 5.988 5.937 ( 2.206 1.145 -3.719) 4.474 5.978 ( -0.507 3.107 3.356) 4.602 6.068 ( -4.349 -8.344 -4.452) 10.410 6.214 ( 0.810 -5.701 -0.052) 5.759 6.258 ( -0.204 4.102 -5.659) 6.992 6.365 ( -6.728 -7.606 0.168) 10.156 6.407 ( -3.582 6.050 -0.570) 7.054 6.445 ( 6.047 -11.346 -0.191) 12.858 6.546 ( -3.318 0.847 0.261) 3.435 6.935 ( 0.646 2.470 3.493) 4.326 6.954 ( -9.063 -1.722 5.883) 10.941 7.138 ( 1.534 -1.287 0.076) 2.004 7.205 ( 5.726 3.373 -3.644) 7.579 7.234 ( 4.382 3.782 -0.045) 5.789 7.477 ( -6.611 -8.845 -0.644) 11.061 7.533 ( -0.863 -6.691 -1.399) 6.890 7.612 ( -4.307 -3.655 2.287) 6.095 8.169 ( 3.785 2.729 -0.893) 4.751 8.213 ( -0.532 4.307 -2.528) 5.022 8.536 ( 0.804 8.757 2.414) 9.120 8.554 ( 6.777 4.151 2.234) 8.255 8.886 ( -0.450 -2.059 -2.052) 2.941 8.908 ( -0.734 -0.015 -2.030) 2.159 9.087 ( -0.284 0.103 1.179) 1.217 9.178 ( 1.039 -5.239 1.044) 5.442 9.206 ( -3.745 -0.210 1.100) 3.909 9.236 ( 0.023 0.087 -0.437) 0.446 9.831 ( -10.698 -18.448 -3.710) 21.646 10.193 ( -3.358 -2.321 2.436) 4.754 10.270 ( -2.259 -7.337 2.770) 8.161 10.314 ( -2.178 -5.306 1.378) 5.898 10.630 ( -4.031 -5.387 -1.480) 6.889 10.773 ( 2.213 2.082 -0.267) 3.050 10.809 ( 1.109 4.511 -0.387) 4.662 11.010 ( -2.171 -4.310 -3.702) 6.082 11.122 ( 4.702 3.578 -0.146) 5.910 11.285 ( 0.794 5.595 0.650) 5.688 11.418 ( 2.452 3.891 0.669) 4.647 11.744 ( 3.969 7.464 5.208) 9.929 11.781 ( 4.537 7.325 5.449) 10.195 13.628 ( 0.854 -0.402 -4.368) 4.469 13.694 ( 0.547 3.270 -5.756) 6.642 13.875 ( -2.627 -1.325 -0.362) 2.964 13.973 ( 4.950 1.471 -3.742) 6.377 14.064 ( -0.167 2.522 0.489) 2.574 14.154 ( 0.253 -0.201 2.149) 2.174 14.242 ( -0.933 1.189 -1.045) 1.837 14.302 ( 3.189 0.098 -0.844) 3.300 14.325 ( -0.943 -0.026 4.770) 4.862 14.374 ( -2.599 -2.310 -7.206) 8.001 14.562 ( 1.030 1.197 -4.213) 4.499 14.595 ( -2.811 -5.908 -1.690) 6.757 14.611 ( -3.205 -2.906 -1.085) 4.460 14.993 ( -2.093 -4.500 0.130) 4.965 15.020 ( -1.833 -3.377 0.681) 3.902 15.297 ( 1.111 2.529 -1.392) 3.093 15.337 ( 2.510 3.682 -3.598) 5.727 15.406 ( 0.366 0.789 -2.878) 3.006 24.202 ( -1.663 0.201 0.268) 1.696 24.223 ( 2.097 -1.093 -0.624) 2.446 24.322 ( -1.472 1.656 -0.615) 2.299 24.348 ( 2.396 1.535 0.466) 2.883 24.545 ( -2.403 -3.527 2.623) 5.009 24.608 ( -2.918 -5.244 -2.397) 6.463 24.671 ( 0.259 -0.945 0.164) 0.993 24.828 ( -3.184 0.318 -0.498) 3.239 24.905 ( -0.042 -3.182 -0.194) 3.188 25.043 ( 8.684 8.681 -1.136) 12.332 25.214 ( -0.268 7.417 0.300) 7.428 25.288 ( 4.449 5.434 -0.549) 7.044 25.494 ( 1.013 0.792 0.587) 1.414 25.711 ( -1.081 -2.639 2.011) 3.490 25.838 ( -1.870 -2.747 2.058) 3.909 25.960 ( 10.423 18.533 -1.796) 21.339 27.014 ( -6.794 -12.558 -3.221) 14.637 27.158 ( -6.262 -10.246 -3.978) 12.650 28.721 ( 2.419 -0.775 3.240) 4.117 28.724 ( -2.429 1.072 3.182) 4.144 28.890 ( -1.844 -4.050 1.448) 4.679 29.014 ( 5.338 9.834 3.807) 11.819 29.090 ( 5.977 10.422 3.022) 12.389 30.208 ( -10.360 -18.059 4.447) 21.289 ======================= Grid point 138 (44/50) ======================= q-point: ( 0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -2.942 10.653 -2.634) 11.362 1.104 ( 8.941 2.986 -2.681) 9.800 1.571 ( -3.857 -3.677 2.133) 5.741 1.789 ( -0.121 -1.693 2.121) 2.717 1.864 ( 0.364 -3.262 4.579) 5.634 1.986 ( -0.146 -0.172 8.772) 8.775 2.287 ( 0.759 1.913 10.810) 11.004 2.391 ( 5.167 9.060 2.486) 10.722 2.528 ( 4.938 6.807 0.106) 8.410 2.600 ( -0.718 -1.017 6.765) 6.879 2.678 ( 0.701 -0.902 2.949) 3.162 2.705 ( 6.825 0.445 -2.802) 7.391 2.787 ( -6.263 -5.779 2.902) 9.002 2.920 ( -5.983 -7.318 0.801) 9.486 3.027 ( -0.373 -7.902 0.698) 7.942 3.196 ( 1.016 1.103 0.992) 1.798 3.236 ( 0.531 4.033 -0.815) 4.148 3.273 ( 0.400 2.206 1.862) 2.915 3.288 ( -1.024 -0.003 -0.202) 1.044 3.371 ( -1.165 -0.886 -0.219) 1.481 3.446 ( -0.652 4.081 2.929) 5.065 3.453 ( 0.875 1.151 1.883) 2.374 3.500 ( 0.666 0.446 4.463) 4.534 3.549 ( -0.835 -0.318 2.752) 2.893 3.612 ( -1.219 1.955 4.861) 5.380 3.721 ( 5.687 1.446 12.053) 13.405 3.870 ( 2.890 2.275 5.225) 6.390 3.985 ( -3.339 -0.533 5.640) 6.576 4.037 ( 4.390 3.942 6.778) 8.987 4.063 ( 1.388 -0.148 3.778) 4.028 4.175 ( -9.065 1.376 7.062) 11.573 4.395 ( 6.440 -3.756 5.568) 9.305 4.484 ( -1.989 1.626 0.785) 2.686 4.626 ( -0.560 2.805 -15.812) 16.068 4.971 ( 2.328 1.695 5.296) 6.028 5.081 ( 1.118 -3.099 9.409) 9.969 5.195 ( 2.733 4.894 -5.806) 8.071 5.307 ( 4.259 1.943 6.955) 8.384 5.349 ( 0.324 -3.663 -1.866) 4.124 5.452 ( -5.230 -1.080 -3.602) 6.442 5.488 ( -2.071 1.880 -5.037) 5.761 5.605 ( 5.237 0.023 -3.442) 6.267 5.713 ( -2.711 1.799 -4.859) 5.847 5.822 ( 1.069 -5.699 -2.179) 6.194 5.899 ( -1.397 -5.935 -1.849) 6.371 5.991 ( -0.526 -5.340 1.431) 5.553 6.026 ( -0.197 -7.470 -1.912) 7.714 6.131 ( -3.066 -3.169 1.552) 4.675 6.226 ( -3.189 5.467 -1.211) 6.444 6.359 ( 0.766 7.113 -7.719) 10.524 6.428 ( -1.362 9.573 0.956) 9.716 6.527 ( 5.457 4.137 -4.052) 7.957 6.631 ( -7.592 1.982 5.139) 9.380 6.805 ( 4.519 6.891 2.549) 8.626 6.956 ( 0.256 3.839 1.175) 4.023 7.101 ( -4.871 -3.711 3.133) 6.878 7.188 ( -3.734 -1.092 0.074) 3.891 7.352 ( 7.328 -9.431 -7.497) 14.101 7.382 ( -3.165 -7.877 -0.965) 8.544 7.471 ( 0.047 -6.451 3.839) 7.507 7.618 ( 10.201 12.994 -0.687) 16.534 8.013 ( -17.454 -4.225 -1.606) 18.030 8.241 ( 7.666 -8.920 -1.103) 11.814 8.590 ( -3.949 9.224 3.531) 10.637 8.785 ( 12.769 3.923 4.286) 14.029 8.922 ( 0.167 2.678 -1.535) 3.091 9.005 ( 0.656 5.848 -3.089) 6.646 9.083 ( -0.331 -0.778 1.167) 1.441 9.130 ( 0.486 -4.313 0.993) 4.452 9.160 ( 0.485 3.308 -2.491) 4.169 9.209 ( -0.027 -1.416 0.496) 1.501 9.450 ( -12.960 -12.978 -5.831) 19.245 10.090 ( -4.272 -1.496 2.854) 5.351 10.181 ( -0.600 -4.578 0.797) 4.686 10.240 ( -0.493 -3.329 2.391) 4.128 10.536 ( -0.092 -5.116 -2.053) 5.513 10.792 ( 1.481 -2.908 -2.698) 4.234 10.820 ( 1.281 -2.540 -1.279) 3.119 10.986 ( -2.164 4.331 -0.704) 4.893 11.210 ( 4.362 -4.635 0.228) 6.369 11.368 ( 2.336 2.838 -2.047) 4.207 11.562 ( 4.637 10.302 7.647) 13.643 11.720 ( -10.594 7.396 8.718) 15.586 11.969 ( 9.531 -4.555 8.501) 13.559 13.645 ( 0.858 -0.522 -4.906) 5.008 13.740 ( -0.287 5.423 -6.965) 8.832 13.826 ( -1.853 -0.027 -1.754) 2.552 14.059 ( -2.678 0.842 -1.234) 3.067 14.083 ( 5.121 1.856 -4.647) 7.160 14.165 ( 0.173 1.990 4.434) 4.863 14.243 ( 0.039 -0.675 0.244) 0.719 14.251 ( -5.393 -1.851 -3.984) 6.956 14.325 ( 1.236 -1.678 2.045) 2.919 14.374 ( 5.100 -1.326 -2.865) 5.997 14.458 ( -3.603 -4.582 -2.101) 6.196 14.470 ( -1.566 -5.921 -3.378) 6.995 14.722 ( 4.772 6.154 -1.161) 7.873 14.894 ( -5.821 -2.106 0.448) 6.207 14.990 ( 0.475 -1.614 -0.917) 1.917 15.341 ( 1.130 2.903 -2.802) 4.190 15.362 ( -2.078 2.196 -2.334) 3.820 15.440 ( 1.178 0.636 -5.836) 5.987 24.185 ( -1.122 1.419 0.030) 1.809 24.257 ( 2.109 -1.960 -1.004) 3.049 24.306 ( -1.088 1.930 -0.764) 2.343 24.393 ( 0.160 1.402 1.717) 2.223 24.485 ( -0.250 -1.529 0.804) 1.746 24.525 ( -1.910 -2.912 -1.051) 3.638 24.663 ( 1.378 -3.769 0.141) 4.016 24.797 ( -1.177 2.176 -0.138) 2.477 24.875 ( -0.412 -1.954 -0.417) 2.040 25.193 ( 1.138 1.671 -0.720) 2.146 25.328 ( 0.013 11.546 -0.567) 11.560 25.418 ( 5.815 5.241 0.461) 7.842 25.516 ( 1.174 -1.093 0.445) 1.665 25.638 ( -4.771 -2.979 0.818) 5.683 25.781 ( 0.111 -3.486 1.366) 3.746 26.341 ( 13.762 13.781 -2.300) 19.611 26.736 ( -12.909 -9.286 -3.285) 16.238 26.975 ( -1.237 -9.267 -3.466) 9.971 28.716 ( 0.652 -0.085 2.544) 2.627 28.756 ( 2.632 -1.572 3.417) 4.590 28.811 ( -2.164 -3.119 1.985) 4.284 29.125 ( -5.252 14.167 3.353) 15.477 29.399 ( 17.770 6.217 4.677) 19.398 29.815 ( -14.187 -16.375 5.245) 22.291 ======================= Grid point 139 (45/50) ======================= q-point: (-0.50 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -8.534 7.766 -2.459) 11.798 1.108 ( -6.735 -5.722 -2.134) 9.092 1.590 ( 7.031 0.539 0.075) 7.053 1.769 ( 0.061 -0.149 4.488) 4.491 1.867 ( 2.144 -2.084 2.804) 4.099 2.003 ( 2.479 -0.632 8.066) 8.462 2.241 ( -7.021 2.155 10.892) 13.137 2.481 ( -3.708 -3.792 10.525) 11.786 2.534 ( -8.469 -1.104 -1.624) 8.694 2.602 ( -9.145 -0.359 -6.211) 11.061 2.607 ( 0.756 -0.196 5.581) 5.636 2.664 ( 1.441 -0.032 3.757) 4.023 2.780 ( 9.057 3.237 2.611) 9.967 2.970 ( 8.353 -2.378 0.532) 8.701 3.044 ( 10.476 -4.588 -0.378) 11.443 3.183 ( -2.764 0.608 1.529) 3.217 3.245 ( -3.259 0.839 -0.468) 3.398 3.270 ( -2.265 2.087 -0.293) 3.094 3.285 ( -0.320 0.151 -0.465) 0.584 3.370 ( 1.875 0.082 2.394) 3.042 3.421 ( -2.757 2.159 2.261) 4.168 3.483 ( -1.184 -0.813 4.458) 4.683 3.511 ( 0.146 1.900 1.778) 2.606 3.533 ( -1.428 -0.157 2.700) 3.059 3.621 ( -0.608 1.860 4.627) 5.024 3.732 ( -3.594 -5.001 10.650) 12.303 3.855 ( -4.693 0.282 6.901) 8.350 3.962 ( -0.142 2.122 8.618) 8.877 4.030 ( -1.208 1.234 4.757) 5.061 4.054 ( -2.955 -2.253 4.124) 5.551 4.214 ( 3.444 8.061 5.876) 10.553 4.384 ( 0.487 -8.917 7.053) 11.380 4.498 ( 0.475 2.126 -1.591) 2.697 4.619 ( -2.899 2.193 -15.152) 15.582 4.973 ( -2.968 -1.252 6.616) 7.359 5.049 ( -0.736 -0.658 6.450) 6.525 5.230 ( -5.740 -3.263 0.973) 6.673 5.289 ( 3.257 1.148 -6.606) 7.454 5.341 ( -1.181 -2.617 5.457) 6.166 5.460 ( 2.016 1.932 -3.159) 4.216 5.522 ( 1.465 1.436 -4.100) 4.585 5.629 ( 1.530 -5.543 -2.603) 6.312 5.693 ( -1.088 3.856 -5.843) 7.084 5.847 ( 2.748 -5.663 -0.828) 6.349 5.892 ( 6.908 1.309 -5.831) 9.134 5.942 ( 0.367 -2.026 1.503) 2.549 5.986 ( 3.420 0.126 0.480) 3.455 6.158 ( 6.893 0.068 2.058) 7.194 6.218 ( -2.135 4.357 1.648) 5.125 6.359 ( -6.706 6.303 -4.281) 10.150 6.411 ( -8.694 0.250 -8.230) 11.974 6.500 ( -3.951 2.098 -1.352) 4.673 6.730 ( -2.448 2.949 5.018) 6.314 6.808 ( -2.736 3.183 3.887) 5.720 6.928 ( 1.553 -1.716 3.151) 3.910 7.161 ( 3.105 5.966 -2.156) 7.063 7.201 ( -4.596 1.275 -1.374) 4.963 7.294 ( 8.618 -4.104 -1.519) 9.665 7.313 ( 7.128 -8.081 0.574) 10.791 7.495 ( 1.543 -3.178 0.343) 3.550 7.640 ( -11.899 -3.771 -1.278) 12.548 7.998 ( 11.545 12.427 -1.151) 17.001 8.261 ( 5.658 -10.569 -1.661) 12.103 8.598 ( -5.401 8.565 3.432) 10.691 8.777 ( -10.448 -9.466 5.238) 15.040 8.929 ( -2.202 0.454 -1.654) 2.791 8.992 ( -6.340 3.106 -4.041) 8.135 9.074 ( 2.122 1.835 0.648) 2.880 9.106 ( -0.209 -2.211 1.214) 2.531 9.185 ( 1.451 -0.254 0.126) 1.479 9.224 ( -0.893 -2.053 -1.979) 2.988 9.446 ( 18.241 5.319 -5.189) 19.696 10.108 ( 4.783 4.110 3.571) 7.247 10.163 ( 2.761 -2.800 0.864) 4.026 10.236 ( 2.791 -1.216 1.432) 3.365 10.537 ( 4.716 -2.599 -1.875) 5.702 10.784 ( 1.256 -2.558 -2.409) 3.731 10.841 ( 3.223 -2.974 -1.828) 4.751 10.979 ( -3.599 4.612 0.155) 5.852 11.191 ( -0.075 -5.359 -0.997) 5.452 11.395 ( -0.531 -2.173 -1.738) 2.832 11.548 ( -12.494 2.486 8.644) 15.395 11.723 ( -1.098 12.127 7.795) 14.458 11.970 ( -0.817 -10.459 8.731) 13.648 13.636 ( -0.916 -0.346 -5.190) 5.282 13.755 ( -3.543 2.188 -6.168) 7.442 13.832 ( 1.887 1.407 -2.642) 3.538 14.010 ( -3.515 1.261 -1.956) 4.215 14.131 ( -0.753 -3.362 -1.138) 3.629 14.150 ( -2.908 2.936 0.292) 4.142 14.231 ( 3.882 0.690 -1.210) 4.125 14.263 ( 0.666 2.390 1.775) 3.051 14.323 ( 1.834 -2.817 -1.680) 3.758 14.377 ( -1.408 -3.582 -1.670) 4.195 14.453 ( 5.055 -1.049 -2.285) 5.646 14.478 ( 6.816 -0.494 -3.332) 7.603 14.730 ( -7.505 -1.635 -0.898) 7.734 14.886 ( 4.633 4.297 -0.513) 6.339 14.988 ( 0.878 -0.854 -0.263) 1.253 15.329 ( -2.342 0.639 -1.130) 2.678 15.379 ( -1.557 3.198 -4.233) 5.529 15.435 ( -1.105 -1.228 -5.452) 5.697 24.193 ( -0.156 2.191 -0.377) 2.229 24.232 ( -0.985 -2.027 -0.040) 2.254 24.335 ( 0.754 0.611 -1.515) 1.800 24.379 ( -1.931 0.374 1.389) 2.408 24.490 ( 1.369 -0.343 1.709) 2.217 24.523 ( 3.568 0.106 -1.610) 3.916 24.657 ( 1.892 -2.618 0.243) 3.239 24.822 ( 0.982 1.582 -0.032) 1.862 24.857 ( 0.486 -0.569 -0.393) 0.845 25.170 ( -4.896 1.044 -0.803) 5.070 25.361 ( -4.979 5.669 -0.517) 7.562 25.415 ( -9.928 -3.566 0.353) 10.555 25.516 ( -0.198 -1.958 0.289) 1.989 25.622 ( 5.259 3.195 1.239) 6.277 25.787 ( 3.170 -1.812 1.272) 3.867 26.345 ( -18.786 -5.395 -2.777) 19.742 26.729 ( 14.299 6.911 -2.577) 16.089 26.978 ( 8.892 -3.614 -3.789) 10.319 28.716 ( -0.302 -0.627 2.365) 2.465 28.758 ( 0.238 -3.359 3.764) 5.050 28.808 ( 3.561 0.673 1.834) 4.062 29.125 ( -9.597 11.556 3.414) 15.405 29.401 ( -14.233 -12.375 4.444) 19.377 29.813 ( 21.269 4.225 5.401) 22.347 ======================= Grid point 144 (46/50) ======================= q-point: ( 0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -2.242 -4.484 -3.680) 6.219 1.095 ( 2.242 4.484 -3.680) 6.219 1.515 ( -0.000 -0.000 1.788) 1.788 1.802 ( -1.253 -2.505 2.662) 3.864 1.802 ( 1.253 2.505 2.662) 3.864 1.976 ( -0.000 -0.000 13.257) 13.257 2.318 ( -0.000 -0.000 12.491) 12.491 2.553 ( -2.278 -4.556 9.277) 10.584 2.553 ( 2.278 4.556 9.277) 10.584 2.620 ( -0.000 0.000 0.012) 0.012 2.663 ( -0.636 -1.271 1.746) 2.252 2.663 ( 0.636 1.271 1.746) 2.252 2.782 ( -0.000 -0.000 -4.347) 4.347 2.847 ( -1.153 -2.306 -1.792) 3.140 2.847 ( 1.153 2.306 -1.792) 3.140 3.211 ( -0.000 -0.000 0.089) 0.089 3.281 ( -0.410 -0.820 -0.936) 1.310 3.281 ( 0.410 0.820 -0.936) 1.310 3.334 ( -1.044 -2.089 -1.123) 2.591 3.334 ( 1.044 2.089 -1.123) 2.591 3.433 ( -0.000 -0.000 -0.274) 0.274 3.495 ( -0.000 -0.000 6.016) 6.016 3.534 ( -0.618 -1.237 3.981) 4.215 3.534 ( 0.618 1.237 3.981) 4.215 3.683 ( -1.741 -3.482 5.201) 6.497 3.683 ( 1.741 3.482 5.201) 6.497 3.916 ( -0.000 -0.000 7.946) 7.946 4.023 ( -1.169 -2.339 5.794) 6.356 4.023 ( 1.169 2.339 5.794) 6.356 4.199 ( -2.954 -5.908 6.602) 9.339 4.199 ( 2.954 5.908 6.602) 9.339 4.229 ( -0.000 -0.000 12.244) 12.244 4.497 ( -0.000 -0.000 -0.853) 0.853 4.668 ( -0.000 -0.000 -18.492) 18.492 5.021 ( -1.231 -2.462 8.836) 9.255 5.021 ( 1.231 2.462 8.836) 9.255 5.274 ( -0.863 -1.726 -4.667) 5.050 5.274 ( 0.863 1.726 -4.667) 5.050 5.329 ( -0.000 -0.000 9.249) 9.249 5.458 ( -0.000 -0.000 -3.374) 3.374 5.533 ( -1.326 -2.652 -4.729) 5.581 5.533 ( 1.326 2.652 -4.729) 5.581 5.758 ( -0.000 -0.000 -6.106) 6.106 5.791 ( -0.864 -1.729 -2.893) 3.480 5.791 ( 0.864 1.729 -2.893) 3.480 5.940 ( -0.039 -0.078 0.127) 0.154 5.940 ( 0.039 0.078 0.127) 0.154 6.080 ( -0.000 -0.000 2.726) 2.726 6.296 ( -0.000 -0.000 -2.808) 2.808 6.478 ( -1.247 -2.493 -8.790) 9.221 6.478 ( 1.247 2.493 -8.790) 9.221 6.699 ( -3.862 -7.723 6.985) 11.106 6.699 ( 3.862 7.723 6.985) 11.106 6.744 ( 0.000 0.000 6.784) 6.784 7.069 ( -0.000 -0.000 -0.086) 0.086 7.113 ( -3.093 -6.186 -1.162) 7.013 7.113 ( 3.093 6.186 -1.162) 7.013 7.195 ( -0.000 -0.000 -3.889) 3.889 7.340 ( -3.079 -6.159 -0.240) 6.890 7.340 ( 3.079 6.159 -0.240) 6.890 7.874 ( -0.000 -0.000 -1.383) 1.383 7.992 ( -3.857 -7.715 -1.143) 8.701 7.992 ( 3.857 7.715 -1.143) 8.701 8.824 ( -0.000 0.000 5.206) 5.206 8.828 ( -3.252 -6.503 5.991) 9.421 8.828 ( 3.252 6.503 5.991) 9.421 9.066 ( -0.565 -1.130 0.951) 1.581 9.066 ( 0.565 1.130 0.951) 1.581 9.091 ( -0.000 -0.000 -3.013) 3.013 9.239 ( -1.291 -2.582 -8.270) 8.760 9.239 ( 1.291 2.581 -8.270) 8.760 9.242 ( 0.000 0.000 -3.333) 3.333 10.103 ( -0.857 -1.714 2.661) 3.279 10.103 ( 0.857 1.714 2.661) 3.279 10.191 ( -0.000 -0.000 2.377) 2.377 10.476 ( -0.000 -0.000 -1.229) 1.229 10.771 ( -0.589 -1.179 -2.753) 3.053 10.771 ( 0.589 1.179 -2.753) 3.053 11.099 ( -2.669 -5.338 0.368) 5.980 11.099 ( 2.669 5.338 0.368) 5.980 11.386 ( -0.000 -0.000 -1.835) 1.835 11.802 ( -2.513 -5.026 10.227) 11.669 11.802 ( 2.513 5.026 10.227) 11.669 11.813 ( 0.000 0.000 11.552) 11.552 13.642 ( -0.000 -0.000 -4.862) 4.862 13.815 ( -0.720 -1.441 -5.611) 5.837 13.815 ( 0.720 1.441 -5.611) 5.837 14.094 ( -1.278 -2.556 -3.476) 4.500 14.094 ( 1.278 2.556 -3.476) 4.500 14.171 ( 0.000 -0.000 1.074) 1.074 14.228 ( -0.000 -0.000 -2.219) 2.219 14.261 ( -0.634 -1.268 -0.761) 1.609 14.261 ( 0.634 1.268 -0.761) 1.609 14.392 ( 0.000 -0.000 -4.614) 4.614 14.394 ( -0.589 -1.178 0.614) 1.453 14.394 ( 0.589 1.178 0.614) 1.453 14.793 ( 0.000 -0.000 1.146) 1.146 14.921 ( -2.003 -4.007 -0.342) 4.493 14.921 ( 2.003 4.007 -0.342) 4.493 15.395 ( 0.000 -0.000 -5.182) 5.182 15.408 ( -1.129 -2.258 -5.091) 5.683 15.408 ( 1.129 2.258 -5.091) 5.683 24.220 ( -0.685 -1.369 -0.550) 1.627 24.220 ( 0.685 1.369 -0.550) 1.627 24.323 ( -0.000 -0.000 -2.120) 2.120 24.413 ( -0.000 -0.000 1.994) 1.994 24.478 ( -0.523 -1.046 0.369) 1.226 24.478 ( 0.523 1.046 0.369) 1.226 24.622 ( -0.000 -0.000 0.135) 0.135 24.835 ( -0.682 -1.364 -0.054) 1.526 24.835 ( 0.682 1.364 -0.054) 1.526 25.222 ( 0.000 -0.000 -1.182) 1.182 25.475 ( -1.582 -3.165 -0.183) 3.543 25.475 ( 1.582 3.165 -0.183) 3.543 25.552 ( -2.647 -5.294 0.018) 5.919 25.552 ( 2.647 5.294 0.018) 5.919 25.724 ( -0.000 -0.000 1.104) 1.104 26.579 ( -3.817 -7.634 -2.071) 8.783 26.579 ( 3.817 7.634 -2.071) 8.783 26.839 ( -0.000 -0.000 -3.077) 3.077 28.705 ( -0.000 -0.000 2.680) 2.680 28.765 ( -0.644 -1.288 2.651) 3.017 28.765 ( 0.644 1.288 2.651) 3.017 29.361 ( -0.000 -0.000 4.997) 4.997 29.508 ( -4.621 -9.242 4.345) 11.209 29.508 ( 4.621 9.242 4.345) 11.209 ======================= Grid point 149 (47/50) ======================= q-point: (-0.17 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -6.391 9.865 5.684) 13.057 0.951 ( -6.481 11.242 -7.753) 15.116 1.702 ( 5.693 -7.571 4.888) 10.660 1.812 ( -0.570 -0.894 4.625) 4.745 1.912 ( 1.800 -1.416 4.819) 5.335 1.995 ( -1.307 10.264 8.589) 13.447 2.146 ( -11.540 8.315 -0.432) 14.230 2.216 ( -5.716 7.552 -1.772) 9.635 2.421 ( 1.967 6.836 1.114) 7.200 2.532 ( -7.390 5.605 -9.422) 13.221 2.638 ( -0.155 -0.199 4.190) 4.197 2.718 ( 0.507 -0.710 0.469) 0.990 2.936 ( 3.289 -8.545 7.173) 11.631 3.030 ( 2.590 -2.834 9.566) 10.308 3.066 ( 2.479 -0.603 3.473) 4.309 3.169 ( -0.307 0.184 4.319) 4.333 3.181 ( -0.769 2.769 3.856) 4.809 3.215 ( 1.802 -1.590 5.699) 6.185 3.270 ( -1.677 0.422 12.011) 12.134 3.394 ( 1.324 2.994 4.383) 5.471 3.418 ( -1.066 1.593 -0.479) 1.975 3.462 ( -1.789 -0.239 0.394) 1.848 3.480 ( -1.193 -0.837 2.234) 2.667 3.552 ( 1.906 -3.631 0.725) 4.164 3.657 ( 1.669 0.167 5.409) 5.663 3.709 ( 1.523 -1.558 6.182) 6.554 3.805 ( -3.735 2.445 5.790) 7.311 3.918 ( -0.418 2.193 1.071) 2.476 4.106 ( -1.157 1.777 11.128) 11.328 4.144 ( -6.458 -0.905 -5.322) 8.417 4.208 ( 4.564 5.277 -6.304) 9.403 4.268 ( -2.178 1.126 1.803) 3.043 4.365 ( -0.923 4.193 3.645) 5.632 4.604 ( 3.101 -5.929 0.434) 6.705 4.969 ( -4.967 5.971 -1.726) 7.956 5.031 ( -3.663 3.294 5.456) 7.351 5.105 ( -0.657 4.213 4.114) 5.925 5.282 ( -0.632 4.139 -4.053) 5.827 5.371 ( -0.358 2.155 -7.313) 7.632 5.434 ( -1.691 4.137 -1.448) 4.698 5.492 ( -2.961 2.201 -7.814) 8.641 5.646 ( -1.170 -6.261 0.425) 6.384 5.695 ( 4.318 -1.932 0.784) 4.795 5.877 ( 1.799 3.256 -0.288) 3.731 5.911 ( 1.314 -2.018 -0.150) 2.413 6.024 ( -1.385 -2.797 -2.219) 3.830 6.042 ( -2.765 0.384 -0.779) 2.898 6.128 ( 2.407 -3.568 3.431) 5.504 6.239 ( 3.319 -3.678 -1.030) 5.060 6.367 ( 5.164 -12.478 0.362) 13.510 6.407 ( 0.699 -0.709 1.077) 1.466 6.457 ( 9.042 -0.822 -1.613) 9.221 6.551 ( -4.527 2.437 0.021) 5.141 6.905 ( -6.503 -0.005 4.318) 7.806 6.975 ( 4.112 1.173 3.924) 5.804 7.174 ( -1.833 2.453 -1.522) 3.419 7.202 ( -8.310 -4.163 -3.623) 9.976 7.280 ( 4.082 5.036 -4.376) 7.821 7.447 ( 3.889 -8.511 1.693) 9.510 7.512 ( 6.736 -4.859 0.415) 8.316 7.630 ( 3.691 -3.319 0.799) 5.027 8.171 ( 0.262 4.095 -0.966) 4.215 8.194 ( -4.900 1.499 -0.737) 5.177 8.560 ( -6.521 9.246 0.018) 11.314 8.571 ( -4.055 7.379 0.627) 8.443 8.865 ( 3.132 -2.572 -0.071) 4.054 8.895 ( 0.363 -2.534 -0.775) 2.675 9.104 ( -0.179 0.155 -0.349) 0.422 9.188 ( 4.985 -1.166 0.147) 5.121 9.208 ( 0.296 0.422 1.442) 1.531 9.225 ( -2.079 -3.637 -0.299) 4.200 9.833 ( 10.199 -18.655 -2.743) 21.438 10.207 ( 1.098 -2.179 1.647) 2.943 10.255 ( 3.456 -7.493 4.173) 9.247 10.298 ( 4.728 -4.645 2.097) 6.952 10.641 ( 1.725 -3.313 -2.220) 4.346 10.729 ( -0.163 1.271 3.320) 3.559 10.839 ( -4.361 2.055 -4.315) 6.470 10.979 ( 3.055 -4.484 -0.914) 5.502 11.150 ( 3.212 4.482 -1.341) 5.675 11.278 ( -6.349 0.849 1.149) 6.508 11.487 ( -6.065 12.264 -6.693) 15.231 11.808 ( -2.256 12.619 -0.674) 12.836 11.849 ( -9.303 8.597 -0.855) 12.695 13.609 ( 1.652 -1.080 -2.751) 3.386 13.647 ( -1.450 0.073 -1.669) 2.212 13.883 ( 2.431 -2.649 -0.653) 3.655 13.950 ( -1.360 2.730 -1.453) 3.378 14.084 ( -2.506 -1.137 -0.563) 2.809 14.150 ( 2.103 0.844 1.682) 2.823 14.219 ( -0.713 1.367 1.111) 1.901 14.252 ( 1.485 -2.533 4.550) 5.415 14.321 ( 0.662 -1.080 -2.287) 2.615 14.415 ( -0.940 0.967 -4.069) 4.287 14.555 ( -1.690 2.615 -3.545) 4.718 14.596 ( 4.819 -6.271 -2.003) 8.158 14.616 ( 0.389 -2.633 -1.608) 3.110 15.032 ( 2.059 -3.312 -3.454) 5.209 15.071 ( 2.798 -2.924 -4.691) 6.195 15.258 ( -3.147 1.205 2.098) 3.969 15.282 ( -1.144 3.588 2.197) 4.360 15.372 ( 1.749 -2.270 0.484) 2.906 24.197 ( -0.020 -1.462 0.785) 1.660 24.205 ( 1.199 0.054 0.966) 1.541 24.314 ( -1.020 -1.134 0.232) 1.543 24.368 ( -0.589 3.616 -1.249) 3.871 24.516 ( 1.800 -3.364 3.277) 5.030 24.637 ( 3.236 -4.195 -3.051) 6.114 24.673 ( 0.368 -0.422 -0.106) 0.570 24.820 ( -1.793 -2.997 0.198) 3.498 24.904 ( 2.792 -1.702 -0.091) 3.271 25.016 ( -3.718 10.185 1.551) 10.952 25.219 ( -5.365 3.124 -0.178) 6.211 25.286 ( -1.682 7.030 -0.178) 7.231 25.501 ( -1.062 1.134 -0.050) 1.554 25.701 ( 1.832 -3.051 2.919) 4.603 25.832 ( 1.666 -3.109 2.492) 4.318 25.988 ( -11.104 19.816 -4.464) 23.149 27.029 ( 6.251 -11.563 -4.637) 13.939 27.170 ( 5.765 -9.435 -5.179) 12.210 28.734 ( 2.475 1.453 1.926) 3.456 28.740 ( -3.196 -0.686 1.623) 3.650 28.895 ( 2.452 -3.335 0.911) 4.239 28.999 ( -5.743 9.001 5.255) 11.900 29.073 ( -5.545 10.241 4.828) 12.607 30.207 ( 10.455 -18.228 4.617) 21.515 ======================= Grid point 156 (48/50) ======================= q-point: (-0.33 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( -1.594 9.339 4.647) 10.552 1.115 ( -4.741 0.535 -2.638) 5.451 1.547 ( 3.142 -4.019 4.521) 6.817 1.788 ( 0.166 -1.611 2.326) 2.834 1.853 ( 0.578 -2.826 3.938) 4.882 2.094 ( -0.118 4.255 -0.781) 4.328 2.410 ( 5.577 7.939 6.184) 11.506 2.423 ( -7.552 10.466 -0.407) 12.912 2.485 ( -11.017 7.554 0.450) 13.365 2.639 ( 1.633 1.210 2.859) 3.508 2.665 ( -0.937 -0.130 2.858) 3.011 2.716 ( -7.163 -0.567 -8.469) 11.106 2.777 ( 5.405 -7.488 4.881) 10.445 2.867 ( 8.542 -8.162 6.968) 13.717 3.026 ( -1.701 -8.594 0.639) 8.784 3.156 ( 0.231 -2.032 6.159) 6.490 3.177 ( -1.152 0.017 7.067) 7.160 3.200 ( 0.883 -0.737 4.238) 4.391 3.284 ( 0.436 2.811 1.732) 3.330 3.390 ( 0.461 0.871 2.977) 3.136 3.413 ( 1.680 -3.683 0.421) 4.070 3.483 ( 0.349 3.905 2.229) 4.509 3.506 ( -1.356 0.352 3.506) 3.775 3.550 ( -0.022 -0.321 1.979) 2.005 3.635 ( 2.475 3.391 3.714) 5.606 3.758 ( -5.992 -0.049 5.920) 8.423 3.880 ( -2.597 4.123 5.811) 7.583 4.003 ( -0.767 6.721 3.995) 7.856 4.112 ( 1.483 2.665 2.390) 3.875 4.144 ( 6.233 3.909 4.400) 8.573 4.217 ( -1.580 -1.564 -7.106) 7.446 4.282 ( 1.547 0.569 6.763) 6.961 4.443 ( -5.902 -3.228 8.035) 10.480 4.518 ( 0.739 -3.747 -2.407) 4.514 5.077 ( 0.303 5.393 -2.795) 6.082 5.142 ( -4.507 3.240 1.861) 5.854 5.168 ( -1.527 2.140 -0.356) 2.653 5.309 ( -1.262 -1.116 1.808) 2.472 5.376 ( 0.308 -0.083 -5.652) 5.661 5.461 ( 2.734 0.797 -0.957) 3.004 5.566 ( -0.817 2.567 -7.818) 8.269 5.596 ( 3.010 0.913 2.583) 4.070 5.613 ( -3.368 -6.169 -1.307) 7.149 5.783 ( 2.500 -6.747 2.863) 7.744 5.841 ( -3.088 -8.607 0.747) 9.174 5.967 ( -0.004 -4.536 -0.557) 4.570 5.988 ( 2.907 -3.092 0.023) 4.244 6.177 ( 3.113 -6.441 0.186) 7.157 6.204 ( -2.440 1.435 4.163) 5.034 6.259 ( 2.364 6.469 3.391) 7.676 6.324 ( 1.227 2.289 0.336) 2.619 6.521 ( -2.790 11.929 -2.354) 12.475 6.786 ( -9.461 10.858 -1.585) 14.489 6.902 ( 14.147 -0.446 -3.847) 14.667 6.945 ( -1.749 1.513 1.335) 2.670 7.085 ( -0.648 0.326 4.078) 4.142 7.183 ( 7.850 1.552 0.841) 8.046 7.269 ( 4.276 -10.023 0.761) 10.923 7.354 ( -6.797 -12.855 -3.265) 14.904 7.521 ( -4.819 -1.174 -2.105) 5.388 7.617 ( -8.599 8.440 0.971) 12.088 7.988 ( 16.258 -4.726 -0.226) 16.933 8.246 ( -6.423 -10.259 -0.307) 12.108 8.665 ( 4.525 12.744 -2.666) 13.784 8.851 ( -10.292 6.078 -0.084) 11.953 8.902 ( -4.139 5.836 -0.431) 7.167 8.931 ( -2.431 3.093 0.170) 3.937 9.089 ( 1.855 -0.559 -0.493) 1.999 9.122 ( -1.040 -0.194 -0.219) 1.081 9.162 ( 4.160 -1.571 1.501) 4.693 9.217 ( -2.440 -2.425 -0.797) 3.532 9.446 ( 13.193 -14.977 -3.725) 20.304 10.125 ( 6.498 -1.389 2.492) 7.097 10.172 ( -0.662 -4.252 0.338) 4.317 10.201 ( -1.379 -3.140 3.715) 5.056 10.582 ( 0.747 -2.531 -5.763) 6.339 10.744 ( -2.290 -2.271 1.020) 3.383 10.835 ( -0.303 -5.929 -2.245) 6.347 10.983 ( 0.963 5.390 -0.025) 5.475 11.167 ( -3.145 -1.592 1.312) 3.761 11.341 ( -1.171 -0.788 3.236) 3.530 11.730 ( -2.932 15.888 -8.779) 18.387 11.855 ( 8.924 11.561 -4.462) 15.271 12.075 ( -7.671 0.524 -0.851) 7.736 13.593 ( -0.893 -1.156 -1.771) 2.295 13.686 ( -1.745 1.270 0.150) 2.163 13.789 ( 3.462 -3.249 1.389) 4.947 14.001 ( -2.295 1.369 -0.851) 2.805 14.087 ( 2.475 -1.887 3.992) 5.062 14.112 ( -1.302 -3.123 2.821) 4.405 14.223 ( 0.206 0.903 0.412) 1.014 14.255 ( -0.082 0.076 -0.445) 0.458 14.289 ( -1.776 -3.080 0.545) 3.597 14.442 ( -1.485 0.385 -4.709) 4.952 14.472 ( 3.329 -3.036 -4.887) 6.647 14.503 ( 1.249 -3.531 -4.025) 5.498 14.751 ( -6.123 7.926 -3.442) 10.591 14.929 ( 7.583 -1.002 -5.065) 9.174 15.023 ( 1.262 0.492 -3.394) 3.654 15.295 ( -0.101 0.100 3.888) 3.891 15.324 ( -1.724 -2.313 -0.483) 2.925 15.343 ( -1.345 -0.914 3.860) 4.189 24.174 ( 1.333 0.615 1.295) 1.958 24.215 ( -2.206 -1.139 1.459) 2.880 24.293 ( 0.926 -2.613 2.598) 3.799 24.409 ( -0.003 3.738 -1.521) 4.036 24.500 ( -1.581 -0.013 -0.212) 1.595 24.545 ( 3.319 -2.553 -2.547) 4.901 24.660 ( -1.237 -3.125 -0.132) 3.364 24.819 ( 1.120 -0.604 0.193) 1.287 24.849 ( 0.408 -0.455 0.361) 0.710 25.145 ( -2.480 3.848 1.721) 4.890 25.348 ( 2.566 6.795 0.820) 7.310 25.394 ( -7.807 5.050 2.384) 9.599 25.523 ( -1.001 -0.743 -0.465) 1.331 25.608 ( 4.497 -3.798 2.407) 6.359 25.778 ( -0.003 -3.767 2.072) 4.300 26.383 ( -13.018 15.363 -6.319) 21.105 26.769 ( 12.999 -7.544 -6.418) 16.342 27.002 ( 1.415 -7.904 -6.135) 10.105 28.725 ( -0.257 0.418 1.464) 1.544 28.785 ( -3.227 -2.213 1.108) 4.066 28.818 ( 2.403 -2.266 0.797) 3.398 29.099 ( 5.780 14.386 5.968) 16.612 29.385 ( -18.410 5.750 6.029) 20.208 29.808 ( 14.265 -16.846 5.913) 22.852 ======================= Grid point 157 (49/50) ======================= q-point: (-0.17 0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -7.641 6.259 5.106) 11.120 1.107 ( 1.516 4.431 -2.644) 5.378 1.560 ( 3.201 -5.330 3.380) 7.076 1.783 ( 0.910 -0.599 2.847) 3.048 1.862 ( 2.831 -2.395 4.194) 5.598 2.100 ( -2.617 1.287 -2.214) 3.662 2.325 ( -11.689 6.753 6.332) 14.911 2.467 ( -2.810 15.950 -0.986) 16.225 2.558 ( -1.602 4.288 0.077) 4.578 2.620 ( -1.322 -0.029 -2.199) 2.565 2.640 ( -1.363 4.217 4.628) 6.408 2.681 ( 0.916 -3.744 2.834) 4.784 2.749 ( 2.185 -6.805 4.721) 8.566 2.964 ( 7.719 -11.339 0.585) 13.730 2.993 ( 8.724 -1.330 0.661) 8.850 3.153 ( 0.345 0.559 6.671) 6.704 3.167 ( 0.478 -0.421 6.256) 6.288 3.205 ( 0.468 -0.727 4.855) 4.932 3.319 ( 0.099 1.302 1.331) 1.864 3.366 ( -1.844 -2.148 1.075) 3.029 3.412 ( 0.967 -1.851 3.551) 4.120 3.473 ( -2.222 1.926 1.873) 3.487 3.523 ( -0.801 0.770 2.780) 2.994 3.537 ( -0.584 1.135 1.949) 2.330 3.642 ( -3.319 -1.025 3.022) 4.604 3.740 ( 2.128 4.049 7.432) 8.727 3.885 ( -2.880 6.977 4.909) 9.004 4.012 ( -3.642 1.979 8.766) 9.696 4.092 ( -5.335 -0.131 -5.846) 7.916 4.160 ( -2.823 0.844 7.632) 8.181 4.213 ( -5.891 -4.341 4.094) 8.385 4.286 ( 6.213 0.782 -5.202) 8.141 4.443 ( 3.831 2.375 7.975) 9.161 4.518 ( 3.344 -1.881 -0.865) 3.933 5.066 ( -4.793 3.176 -2.290) 6.189 5.117 ( -3.825 4.549 3.565) 6.931 5.198 ( 2.442 3.409 -0.049) 4.193 5.325 ( -0.053 -0.353 -5.602) 5.613 5.403 ( 3.604 -1.163 0.435) 3.811 5.457 ( -2.380 -3.026 -1.807) 4.253 5.521 ( -3.023 1.899 -5.356) 6.437 5.555 ( 3.710 2.864 -2.561) 5.341 5.639 ( -2.811 -3.444 1.843) 4.813 5.780 ( 7.881 -3.002 1.160) 8.513 5.858 ( 7.527 -3.550 0.567) 8.341 5.996 ( 6.198 -2.883 1.345) 6.967 6.008 ( 4.360 -5.719 0.086) 7.192 6.137 ( -1.593 -2.486 1.149) 3.168 6.168 ( -4.195 3.060 3.283) 6.143 6.266 ( -3.788 2.611 1.461) 4.827 6.375 ( 1.601 -4.993 3.655) 6.391 6.571 ( -7.631 13.510 -4.447) 16.140 6.720 ( -7.190 0.199 -3.768) 8.120 6.851 ( -6.345 1.655 -1.805) 6.801 6.935 ( -3.952 3.141 2.343) 5.566 7.130 ( -1.405 -7.373 0.507) 7.522 7.174 ( -0.715 -2.963 4.846) 5.725 7.250 ( 11.345 -2.411 -0.848) 11.629 7.378 ( 5.137 -5.236 -0.392) 7.345 7.558 ( 10.787 -1.996 -4.869) 12.002 7.603 ( -5.436 15.528 0.633) 16.464 7.997 ( -4.821 -17.281 -0.156) 17.942 8.230 ( 12.099 1.878 0.016) 12.243 8.661 ( -13.725 2.631 -3.062) 14.306 8.834 ( -1.484 12.875 0.947) 12.995 8.883 ( -1.383 3.303 1.250) 3.793 8.970 ( -1.562 5.984 -1.444) 6.351 9.112 ( 0.228 0.237 -0.853) 0.914 9.130 ( -2.118 -3.634 0.496) 4.236 9.150 ( 2.419 -2.887 -0.558) 3.808 9.208 ( 3.032 1.952 -0.254) 3.615 9.436 ( 5.770 -19.258 -3.095) 20.341 10.103 ( -1.424 -4.583 2.343) 5.341 10.174 ( 2.556 -1.478 1.314) 3.232 10.227 ( 4.714 -2.647 2.924) 6.146 10.580 ( 1.761 -1.761 -5.804) 6.315 10.748 ( 3.280 0.784 0.894) 3.489 10.822 ( 4.025 -1.862 -2.258) 4.977 10.977 ( -4.971 1.973 0.251) 5.355 11.194 ( 5.764 -0.014 1.854) 6.055 11.319 ( -1.758 2.327 2.485) 3.832 11.731 ( -11.939 10.135 -8.554) 17.845 11.864 ( -14.083 -2.485 -4.774) 15.077 12.071 ( 3.444 7.335 -0.751) 8.138 13.601 ( 2.160 -0.273 -1.417) 2.598 13.667 ( -1.379 2.366 -0.284) 2.753 13.801 ( 1.734 -4.455 1.024) 4.889 14.016 ( 0.323 3.425 2.159) 4.062 14.052 ( -0.465 -2.184 -0.383) 2.266 14.129 ( 3.327 -2.008 6.379) 7.469 14.230 ( -0.192 0.756 -1.091) 1.341 14.238 ( 0.050 -0.326 -2.407) 2.429 14.307 ( 3.813 -0.279 3.394) 5.112 14.432 ( -0.604 0.666 -6.736) 6.795 14.483 ( 1.617 -3.105 -3.690) 5.086 14.494 ( 2.001 -3.045 -4.305) 5.640 14.743 ( -4.060 8.683 -3.582) 10.232 14.952 ( -2.535 -7.668 -5.691) 9.880 15.014 ( -0.735 -0.093 -3.018) 3.108 15.278 ( 0.001 1.126 3.352) 3.536 15.336 ( 0.261 0.023 4.420) 4.428 15.343 ( 3.643 0.414 -0.106) 3.668 24.172 ( -0.987 -0.657 1.178) 1.671 24.225 ( 2.642 1.221 1.820) 3.433 24.277 ( 0.161 -1.655 2.021) 2.617 24.428 ( -2.040 1.205 -1.363) 2.733 24.484 ( 0.325 0.866 -0.093) 0.930 24.553 ( 0.914 -3.740 -2.749) 4.731 24.664 ( 4.010 -0.719 -0.049) 4.074 24.790 ( -2.321 0.460 0.568) 2.433 24.868 ( 1.285 -1.582 0.187) 2.047 25.170 ( 0.213 2.500 1.605) 2.979 25.304 ( -8.278 5.446 1.923) 10.094 25.413 ( -1.233 5.867 0.847) 6.055 25.524 ( 0.943 0.859 -0.275) 1.305 25.615 ( 1.057 -5.748 2.910) 6.529 25.774 ( 3.210 -1.776 1.973) 4.166 26.388 ( -6.432 19.101 -6.737) 21.252 26.763 ( -0.375 -15.081 -5.794) 16.160 27.005 ( 6.293 -5.346 -6.419) 10.459 28.728 ( -0.131 0.265 1.341) 1.374 28.776 ( 2.517 1.467 1.314) 3.196 28.825 ( 1.701 -2.846 0.733) 3.395 29.098 ( -15.360 2.270 6.013) 16.650 29.387 ( 4.322 18.823 5.807) 20.167 29.806 ( 7.341 -20.843 6.069) 22.916 ======================= Grid point 162 (50/50) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -3.617 -7.234 2.370) 8.428 1.033 ( 3.617 7.234 2.370) 8.428 1.501 ( 0.000 0.000 3.437) 3.437 1.797 ( -1.044 -2.089 3.173) 3.940 1.797 ( 1.044 2.089 3.173) 3.940 2.130 ( 0.000 0.000 -3.684) 3.684 2.560 ( 0.000 0.000 -0.860) 0.860 2.580 ( -2.749 -5.497 6.833) 9.190 2.580 ( 2.749 5.497 6.833) 9.190 2.626 ( 0.000 0.000 -7.484) 7.484 2.683 ( -0.509 -1.019 1.963) 2.269 2.683 ( 0.509 1.019 1.963) 2.269 2.720 ( -0.000 0.000 0.557) 0.557 2.788 ( -3.157 -6.313 0.909) 7.117 2.788 ( 3.157 6.313 0.909) 7.117 3.167 ( -0.000 -0.000 5.209) 5.209 3.176 ( -0.294 -0.587 8.545) 8.570 3.176 ( 0.294 0.587 8.545) 8.570 3.346 ( -1.144 -2.288 -0.127) 2.561 3.346 ( 1.144 2.288 -0.127) 2.561 3.386 ( 0.000 0.000 4.009) 4.009 3.525 ( -0.000 -0.000 2.940) 2.940 3.530 ( -0.461 -0.923 2.877) 3.057 3.530 ( 0.461 0.923 2.877) 3.057 3.708 ( -1.486 -2.972 3.526) 4.845 3.708 ( 1.486 2.972 3.526) 4.845 3.946 ( -0.000 -0.000 4.735) 4.735 4.153 ( -2.284 -4.568 -5.491) 7.499 4.153 ( 2.284 4.568 -5.491) 7.499 4.199 ( -0.000 0.000 15.373) 15.373 4.216 ( -2.688 -5.376 2.832) 6.645 4.216 ( 2.688 5.376 2.832) 6.645 4.374 ( 0.000 0.000 10.248) 10.248 4.482 ( 0.000 0.000 -0.362) 0.362 5.159 ( -1.290 -2.581 -1.606) 3.302 5.159 ( 1.290 2.581 -1.606) 3.302 5.232 ( -2.487 -4.974 -0.649) 5.599 5.232 ( 2.487 4.974 -0.649) 5.599 5.428 ( -0.000 -0.000 -2.834) 2.834 5.474 ( -1.256 -2.513 -0.729) 2.903 5.474 ( 1.257 2.513 -0.729) 2.903 5.567 ( -0.000 0.000 -11.151) 11.151 5.667 ( 0.000 0.000 2.351) 2.351 5.722 ( -1.467 -2.934 3.550) 4.833 5.722 ( 1.467 2.934 3.550) 4.833 5.926 ( -0.457 -0.914 1.369) 1.708 5.926 ( 0.457 0.914 1.369) 1.708 6.109 ( 0.000 0.000 -0.385) 0.385 6.245 ( 0.000 -0.000 2.832) 2.832 6.334 ( -0.424 -0.848 5.266) 5.351 6.334 ( 0.424 0.849 5.266) 5.351 6.812 ( -3.191 -6.383 -3.921) 8.142 6.812 ( 3.191 6.383 -3.921) 8.142 6.873 ( 0.000 0.000 -5.623) 5.623 7.054 ( 0.000 0.000 2.005) 2.005 7.097 ( -1.983 -3.966 0.013) 4.434 7.097 ( 1.983 3.966 0.013) 4.434 7.126 ( -0.000 0.000 1.708) 1.708 7.342 ( -4.398 -8.796 -0.333) 9.839 7.342 ( 4.398 8.796 -0.333) 9.839 7.841 ( 0.000 0.000 1.683) 1.683 7.980 ( -3.968 -7.935 -0.009) 8.872 7.980 ( 3.968 7.935 -0.009) 8.872 8.903 ( -1.707 -3.413 -0.370) 3.834 8.903 ( 1.707 3.413 -0.370) 3.834 8.927 ( 0.000 -0.000 -4.519) 4.519 9.031 ( -0.000 0.000 1.773) 1.773 9.097 ( -0.815 -1.631 -2.064) 2.754 9.097 ( 0.815 1.631 -2.064) 2.754 9.156 ( -1.590 -3.180 -0.755) 3.635 9.156 ( 1.590 3.180 -0.755) 3.635 9.232 ( 0.000 -0.000 -1.091) 1.091 10.126 ( -0.465 -0.929 0.734) 1.272 10.126 ( 0.465 0.929 0.734) 1.272 10.141 ( 0.000 -0.000 5.999) 5.999 10.554 ( 0.000 0.000 -7.963) 7.963 10.745 ( -1.071 -2.142 -0.871) 2.548 10.745 ( 1.071 2.142 -0.871) 2.548 11.094 ( -2.409 -4.818 0.863) 5.455 11.094 ( 2.409 4.818 0.863) 5.455 11.342 ( 0.000 0.000 2.533) 2.533 11.980 ( -1.995 -3.991 -6.526) 7.906 11.980 ( 1.995 3.991 -6.526) 7.906 12.001 ( 0.000 0.000 -6.252) 6.252 13.587 ( 0.000 0.000 0.191) 0.191 13.723 ( -1.411 -2.821 2.306) 3.907 13.723 ( 1.411 2.821 2.306) 3.907 14.043 ( -0.924 -1.848 2.463) 3.215 14.043 ( 0.924 1.848 2.463) 3.215 14.066 ( 0.000 0.000 5.516) 5.516 14.242 ( -0.467 -0.934 -0.776) 1.301 14.242 ( 0.467 0.934 -0.776) 1.301 14.252 ( 0.000 0.000 -0.057) 0.057 14.433 ( 0.000 0.000 -7.439) 7.439 14.460 ( -0.376 -0.751 -4.394) 4.474 14.460 ( 0.376 0.751 -4.394) 4.474 14.851 ( 0.000 0.000 -5.061) 5.061 14.970 ( -2.023 -4.045 -5.447) 7.080 14.970 ( 2.023 4.045 -5.447) 7.080 15.292 ( 0.000 0.000 5.268) 5.268 15.319 ( -0.375 -0.749 3.902) 3.991 15.319 ( 0.375 0.749 3.902) 3.991 24.193 ( -0.575 -1.150 1.844) 2.248 24.193 ( 0.575 1.150 1.844) 2.248 24.262 ( 0.000 -0.000 3.185) 3.185 24.469 ( 0.000 0.000 -2.763) 2.763 24.500 ( -0.536 -1.072 -1.515) 1.932 24.500 ( 0.536 1.072 -1.515) 1.932 24.622 ( 0.000 0.000 0.064) 0.064 24.829 ( -0.698 -1.397 0.515) 1.644 24.829 ( 0.698 1.397 0.515) 1.644 25.189 ( 0.000 0.000 2.119) 2.119 25.455 ( -1.036 -2.072 2.343) 3.295 25.455 ( 1.036 2.072 2.343) 3.295 25.530 ( -1.709 -3.418 1.306) 4.038 25.530 ( 1.709 3.418 1.306) 4.038 25.721 ( 0.000 0.000 1.324) 1.324 26.634 ( -3.708 -7.416 -7.263) 11.022 26.634 ( 3.708 7.416 -7.263) 11.022 26.882 ( 0.000 0.000 -7.266) 7.266 28.719 ( 0.000 0.000 1.315) 1.315 28.785 ( -0.523 -1.047 0.745) 1.387 28.785 ( 0.523 1.047 0.745) 1.387 29.342 ( 0.000 0.000 6.868) 6.868 29.491 ( -4.778 -9.557 6.048) 12.277 29.491 ( 4.778 9.557 6.048) 12.277 =================== 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 3/31752 10.0 13.750 13.750 12.272 0.000 -0.000 -0.000 3/31752 20.0 3.793 3.793 5.906 0.000 -0.000 -0.000 3/31752 30.0 2.213 2.213 4.330 0.000 -0.000 -0.000 3/31752 40.0 1.598 1.598 3.431 0.000 -0.000 -0.000 3/31752 50.0 1.273 1.273 2.831 0.000 -0.000 -0.000 3/31752 60.0 1.078 1.078 2.402 0.000 -0.000 -0.000 3/31752 70.0 0.950 0.950 2.082 0.000 -0.000 -0.000 3/31752 80.0 0.859 0.859 1.836 0.000 -0.000 -0.000 3/31752 90.0 0.790 0.790 1.642 0.000 -0.000 -0.000 3/31752 100.0 0.736 0.736 1.487 0.000 -0.000 -0.000 3/31752 110.0 0.691 0.691 1.359 0.000 -0.000 -0.000 3/31752 120.0 0.652 0.652 1.253 0.000 -0.000 -0.000 3/31752 130.0 0.619 0.619 1.163 0.000 -0.000 -0.000 3/31752 140.0 0.589 0.589 1.087 0.000 -0.000 -0.000 3/31752 150.0 0.562 0.562 1.021 0.000 -0.000 -0.000 3/31752 160.0 0.538 0.538 0.963 0.000 -0.000 -0.000 3/31752 170.0 0.517 0.517 0.913 0.000 -0.000 -0.000 3/31752 180.0 0.497 0.497 0.868 0.000 -0.000 -0.000 3/31752 190.0 0.479 0.479 0.828 0.000 -0.000 -0.000 3/31752 200.0 0.462 0.462 0.792 0.000 -0.000 -0.000 3/31752 210.0 0.447 0.447 0.759 0.000 -0.000 -0.000 3/31752 220.0 0.433 0.433 0.729 0.000 -0.000 -0.000 3/31752 230.0 0.420 0.420 0.702 0.000 -0.000 -0.000 3/31752 240.0 0.407 0.407 0.677 0.000 -0.000 -0.000 3/31752 250.0 0.396 0.396 0.654 0.000 -0.000 -0.000 3/31752 260.0 0.385 0.385 0.633 0.000 -0.000 -0.000 3/31752 270.0 0.375 0.375 0.613 0.000 -0.000 -0.000 3/31752 280.0 0.365 0.365 0.595 0.000 -0.000 -0.000 3/31752 290.0 0.356 0.356 0.578 0.000 -0.000 -0.000 3/31752 300.0 0.348 0.348 0.562 0.000 -0.000 -0.000 3/31752 310.0 0.340 0.340 0.547 0.000 -0.000 -0.000 3/31752 320.0 0.332 0.332 0.532 0.000 -0.000 -0.000 3/31752 330.0 0.324 0.324 0.519 0.000 -0.000 -0.000 3/31752 340.0 0.317 0.317 0.506 0.000 -0.000 -0.000 3/31752 350.0 0.311 0.311 0.494 0.000 -0.000 -0.000 3/31752 360.0 0.304 0.304 0.483 0.000 -0.000 -0.000 3/31752 370.0 0.298 0.298 0.472 0.000 -0.000 -0.000 3/31752 380.0 0.292 0.292 0.461 0.000 -0.000 -0.000 3/31752 390.0 0.286 0.286 0.451 0.000 -0.000 -0.000 3/31752 400.0 0.281 0.281 0.442 0.000 -0.000 -0.000 3/31752 410.0 0.276 0.276 0.433 0.000 -0.000 -0.000 3/31752 420.0 0.271 0.271 0.424 0.000 -0.000 -0.000 3/31752 430.0 0.266 0.266 0.416 0.000 -0.000 -0.000 3/31752 440.0 0.261 0.261 0.408 0.000 -0.000 -0.000 3/31752 450.0 0.256 0.256 0.400 0.000 -0.000 -0.000 3/31752 460.0 0.252 0.252 0.393 0.000 -0.000 -0.000 3/31752 470.0 0.248 0.248 0.385 0.000 -0.000 -0.000 3/31752 480.0 0.244 0.244 0.378 0.000 -0.000 -0.000 3/31752 490.0 0.240 0.240 0.372 0.000 -0.000 -0.000 3/31752 500.0 0.236 0.236 0.365 0.000 -0.000 -0.000 3/31752 510.0 0.232 0.232 0.359 0.000 -0.000 -0.000 3/31752 520.0 0.228 0.228 0.353 0.000 -0.000 -0.000 3/31752 530.0 0.225 0.225 0.347 0.000 -0.000 -0.000 3/31752 540.0 0.221 0.221 0.342 0.000 -0.000 -0.000 3/31752 550.0 0.218 0.218 0.336 0.000 -0.000 -0.000 3/31752 560.0 0.215 0.215 0.331 0.000 -0.000 -0.000 3/31752 570.0 0.212 0.212 0.326 0.000 -0.000 -0.000 3/31752 580.0 0.208 0.208 0.321 0.000 -0.000 -0.000 3/31752 590.0 0.205 0.205 0.316 0.000 -0.000 -0.000 3/31752 600.0 0.203 0.203 0.311 0.000 -0.000 -0.000 3/31752 610.0 0.200 0.200 0.307 0.000 -0.000 -0.000 3/31752 620.0 0.197 0.197 0.302 0.000 -0.000 -0.000 3/31752 630.0 0.194 0.194 0.298 0.000 -0.000 -0.000 3/31752 640.0 0.192 0.192 0.294 0.000 -0.000 -0.000 3/31752 650.0 0.189 0.189 0.290 0.000 -0.000 -0.000 3/31752 660.0 0.187 0.187 0.286 0.000 -0.000 -0.000 3/31752 670.0 0.184 0.184 0.282 0.000 -0.000 -0.000 3/31752 680.0 0.182 0.182 0.278 0.000 -0.000 -0.000 3/31752 690.0 0.180 0.180 0.275 0.000 -0.000 -0.000 3/31752 700.0 0.177 0.177 0.271 0.000 -0.000 -0.000 3/31752 710.0 0.175 0.175 0.268 0.000 -0.000 -0.000 3/31752 720.0 0.173 0.173 0.264 0.000 -0.000 -0.000 3/31752 730.0 0.171 0.171 0.261 0.000 -0.000 -0.000 3/31752 740.0 0.169 0.169 0.258 0.000 -0.000 -0.000 3/31752 750.0 0.167 0.167 0.254 0.000 -0.000 -0.000 3/31752 760.0 0.165 0.165 0.251 0.000 -0.000 -0.000 3/31752 770.0 0.163 0.163 0.248 0.000 -0.000 -0.000 3/31752 780.0 0.161 0.161 0.245 0.000 -0.000 -0.000 3/31752 790.0 0.159 0.159 0.243 0.000 -0.000 -0.000 3/31752 800.0 0.157 0.157 0.240 0.000 -0.000 -0.000 3/31752 810.0 0.156 0.156 0.237 0.000 -0.000 -0.000 3/31752 820.0 0.154 0.154 0.234 0.000 -0.000 -0.000 3/31752 830.0 0.152 0.152 0.232 0.000 -0.000 -0.000 3/31752 840.0 0.151 0.151 0.229 0.000 -0.000 -0.000 3/31752 850.0 0.149 0.149 0.227 0.000 -0.000 -0.000 3/31752 860.0 0.147 0.147 0.224 0.000 -0.000 -0.000 3/31752 870.0 0.146 0.146 0.222 0.000 -0.000 -0.000 3/31752 880.0 0.144 0.144 0.219 0.000 -0.000 -0.000 3/31752 890.0 0.143 0.143 0.217 0.000 -0.000 -0.000 3/31752 900.0 0.141 0.141 0.215 0.000 -0.000 -0.000 3/31752 910.0 0.140 0.140 0.213 0.000 -0.000 -0.000 3/31752 920.0 0.139 0.139 0.210 0.000 -0.000 -0.000 3/31752 930.0 0.137 0.137 0.208 0.000 -0.000 -0.000 3/31752 940.0 0.136 0.136 0.206 0.000 -0.000 -0.000 3/31752 950.0 0.135 0.135 0.204 0.000 -0.000 -0.000 3/31752 960.0 0.133 0.133 0.202 0.000 -0.000 -0.000 3/31752 970.0 0.132 0.132 0.200 0.000 -0.000 -0.000 3/31752 980.0 0.131 0.131 0.198 0.000 -0.000 -0.000 3/31752 990.0 0.129 0.129 0.196 0.000 -0.000 -0.000 3/31752 1000.0 0.128 0.128 0.195 0.000 -0.000 -0.000 3/31752 Thermal conductivity related properties were written into "kappa-m667.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:10:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|