----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:30:49]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.742338026618535 0.000000000000000 0.000000000000000 b 0.000000000000000 6.427677789999999 0.000000000000000 c -7.930968449645986 0.000000000000000 13.885070057895183 Atomic positions (fractional): *1 Rb 0.84919144027208 0.66378583359651 0.03310530803585 85.468 *2 Rb 0.91997699960899 0.12308952799498 0.16795429461058 85.468 *3 Rb 0.68284516954130 0.92118310790858 0.26452326584866 85.468 *4 Rb 0.57238240849972 0.43741401863777 0.12334051516681 85.468 5 Rb 0.84919144027208 0.83621416640349 0.53310530803585 85.468 6 Rb 0.91997699960899 0.37691047200502 0.66795429461058 85.468 7 Rb 0.42761759150028 0.93741401863777 0.37665948483319 85.468 8 Rb 0.31715483045870 0.42118310790858 0.23547673415134 85.468 9 Rb 0.68284516954130 0.57881689209142 0.76452326584866 85.468 10 Rb 0.57238240849972 0.06258598136223 0.62334051516681 85.468 11 Rb 0.08002300039101 0.62308952799498 0.33204570538942 85.468 12 Rb 0.15080855972792 0.16378583359651 0.46689469196415 85.468 13 Rb 0.42761759150028 0.56258598136223 0.87665948483319 85.468 14 Rb 0.31715483045870 0.07881689209142 0.73547673415134 85.468 15 Rb 0.08002300039101 0.87691047200502 0.83204570538942 85.468 16 Rb 0.15080855972792 0.33621416640349 0.96689469196415 85.468 *17 Mg 0.75872211204906 0.37728618079086 0.37577106951694 24.305 *18 Mg 0.41299102306541 0.95232476545161 0.04012032930141 24.305 19 Mg 0.58700897693459 0.45232476545161 0.45987967069859 24.305 20 Mg 0.24127788795094 0.87728618079086 0.12422893048306 24.305 21 Mg 0.75872211204906 0.12271381920914 0.87577106951694 24.305 22 Mg 0.41299102306541 0.54767523454839 0.54012032930141 24.305 23 Mg 0.58700897693459 0.04767523454839 0.95987967069859 24.305 24 Mg 0.24127788795094 0.62271381920914 0.62422893048306 24.305 *25 O 0.85959696208312 0.30996710570171 0.30462671474108 15.999 *26 O 0.63147586370471 0.87290932411666 0.07376260275190 15.999 *27 O 0.73937671689995 0.22773468127988 0.47494126659247 15.999 *28 O 0.61654158303281 0.60379821988957 0.35916620185381 15.999 29 O 0.38345841696719 0.10379821988957 0.14083379814618 15.999 30 O 0.26062328310005 0.72773468127988 0.02505873340752 15.999 31 O 0.85959696208312 0.19003289429829 0.80462671474108 15.999 32 O 0.63147586370471 0.62709067588334 0.57376260275190 15.999 33 O 0.36852413629529 0.37290932411666 0.42623739724810 15.999 34 O 0.14040303791688 0.80996710570171 0.19537328525892 15.999 35 O 0.73937671689995 0.27226531872012 0.97494126659248 15.999 36 O 0.61654158303281 0.89620178011043 0.85916620185381 15.999 37 O 0.38345841696719 0.39620178011043 0.64083379814619 15.999 38 O 0.26062328310005 0.77226531872012 0.52505873340752 15.999 39 O 0.36852413629529 0.12709067588334 0.92623739724810 15.999 40 O 0.14040303791688 0.69003289429829 0.69537328525892 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.742338026618535 0.000000000000000 0.000000000000000 b 0.000000000000000 6.427677789999999 0.000000000000000 c -7.930968449645986 0.000000000000000 13.885070057895183 Atomic positions (fractional): *1 Rb 0.84919144027208 0.66378583359651 0.03310530803585 85.468 > 1 *2 Rb 0.91997699960899 0.12308952799498 0.16795429461058 85.468 > 2 *3 Rb 0.68284516954130 0.92118310790858 0.26452326584866 85.468 > 3 *4 Rb 0.57238240849972 0.43741401863777 0.12334051516681 85.468 > 4 5 Rb 0.84919144027208 0.83621416640349 0.53310530803585 85.468 > 5 6 Rb 0.91997699960899 0.37691047200502 0.66795429461058 85.468 > 6 7 Rb 0.42761759150028 0.93741401863777 0.37665948483319 85.468 > 7 8 Rb 0.31715483045870 0.42118310790858 0.23547673415134 85.468 > 8 9 Rb 0.68284516954130 0.57881689209142 0.76452326584866 85.468 > 9 10 Rb 0.57238240849972 0.06258598136223 0.62334051516681 85.468 > 10 11 Rb 0.08002300039101 0.62308952799498 0.33204570538942 85.468 > 11 12 Rb 0.15080855972792 0.16378583359651 0.46689469196415 85.468 > 12 13 Rb 0.42761759150028 0.56258598136223 0.87665948483319 85.468 > 13 14 Rb 0.31715483045870 0.07881689209142 0.73547673415134 85.468 > 14 15 Rb 0.08002300039101 0.87691047200502 0.83204570538942 85.468 > 15 16 Rb 0.15080855972792 0.33621416640349 0.96689469196415 85.468 > 16 *17 Mg 0.75872211204906 0.37728618079086 0.37577106951694 24.305 > 17 *18 Mg 0.41299102306541 0.95232476545161 0.04012032930141 24.305 > 18 19 Mg 0.58700897693459 0.45232476545161 0.45987967069859 24.305 > 19 20 Mg 0.24127788795094 0.87728618079086 0.12422893048306 24.305 > 20 21 Mg 0.75872211204906 0.12271381920914 0.87577106951694 24.305 > 21 22 Mg 0.41299102306541 0.54767523454839 0.54012032930141 24.305 > 22 23 Mg 0.58700897693459 0.04767523454839 0.95987967069859 24.305 > 23 24 Mg 0.24127788795094 0.62271381920914 0.62422893048306 24.305 > 24 *25 O 0.85959696208312 0.30996710570171 0.30462671474108 15.999 > 25 *26 O 0.63147586370471 0.87290932411666 0.07376260275190 15.999 > 26 *27 O 0.73937671689995 0.22773468127988 0.47494126659247 15.999 > 27 *28 O 0.61654158303281 0.60379821988957 0.35916620185381 15.999 > 28 29 O 0.38345841696719 0.10379821988957 0.14083379814618 15.999 > 29 30 O 0.26062328310005 0.72773468127988 0.02505873340752 15.999 > 30 31 O 0.85959696208312 0.19003289429829 0.80462671474108 15.999 > 31 32 O 0.63147586370471 0.62709067588334 0.57376260275190 15.999 > 32 33 O 0.36852413629529 0.37290932411666 0.42623739724810 15.999 > 33 34 O 0.14040303791688 0.80996710570171 0.19537328525892 15.999 > 34 35 O 0.73937671689995 0.27226531872012 0.97494126659248 15.999 > 35 36 O 0.61654158303281 0.89620178011043 0.85916620185381 15.999 > 36 37 O 0.38345841696719 0.39620178011043 0.64083379814619 15.999 > 37 38 O 0.26062328310005 0.77226531872012 0.52505873340752 15.999 > 38 39 O 0.36852413629529 0.12709067588334 0.92623739724810 15.999 > 39 40 O 0.14040303791688 0.69003289429829 0.69537328525892 15.999 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.742338026618535 0.000000000000000 0.000000000000000 b 0.000000000000000 12.855355579999998 0.000000000000000 c -7.930968449645986 0.000000000000000 13.885070057895183 Atomic positions (fractional): *1 Rb 0.84919144027208 0.33189291679826 0.03310530803585 85.468 > 1 2 Rb 0.84919144027208 0.83189291679826 0.03310530803585 85.468 > 1 *3 Rb 0.91997699960899 0.06154476399749 0.16795429461058 85.468 > 2 4 Rb 0.91997699960899 0.56154476399749 0.16795429461058 85.468 > 2 *5 Rb 0.68284516954130 0.46059155395429 0.26452326584866 85.468 > 3 6 Rb 0.68284516954130 0.96059155395429 0.26452326584866 85.468 > 3 *7 Rb 0.57238240849972 0.21870700931889 0.12334051516681 85.468 > 4 8 Rb 0.57238240849972 0.71870700931889 0.12334051516681 85.468 > 4 9 Rb 0.84919144027208 0.41810708320174 0.53310530803585 85.468 > 5 10 Rb 0.84919144027208 0.91810708320174 0.53310530803585 85.468 > 5 11 Rb 0.91997699960899 0.18845523600251 0.66795429461058 85.468 > 6 12 Rb 0.91997699960899 0.68845523600251 0.66795429461058 85.468 > 6 13 Rb 0.42761759150028 0.46870700931889 0.37665948483319 85.468 > 7 14 Rb 0.42761759150028 0.96870700931889 0.37665948483319 85.468 > 7 15 Rb 0.31715483045870 0.21059155395429 0.23547673415134 85.468 > 8 16 Rb 0.31715483045870 0.71059155395429 0.23547673415134 85.468 > 8 17 Rb 0.68284516954130 0.28940844604571 0.76452326584866 85.468 > 9 18 Rb 0.68284516954130 0.78940844604571 0.76452326584866 85.468 > 9 19 Rb 0.57238240849972 0.03129299068111 0.62334051516681 85.468 > 10 20 Rb 0.57238240849972 0.53129299068111 0.62334051516681 85.468 > 10 21 Rb 0.08002300039101 0.31154476399749 0.33204570538942 85.468 > 11 22 Rb 0.08002300039101 0.81154476399749 0.33204570538942 85.468 > 11 23 Rb 0.15080855972792 0.08189291679826 0.46689469196415 85.468 > 12 24 Rb 0.15080855972792 0.58189291679826 0.46689469196415 85.468 > 12 25 Rb 0.42761759150028 0.28129299068111 0.87665948483319 85.468 > 13 26 Rb 0.42761759150028 0.78129299068111 0.87665948483319 85.468 > 13 27 Rb 0.31715483045870 0.03940844604571 0.73547673415134 85.468 > 14 28 Rb 0.31715483045870 0.53940844604571 0.73547673415134 85.468 > 14 29 Rb 0.08002300039101 0.43845523600251 0.83204570538942 85.468 > 15 30 Rb 0.08002300039101 0.93845523600251 0.83204570538942 85.468 > 15 31 Rb 0.15080855972792 0.16810708320174 0.96689469196415 85.468 > 16 32 Rb 0.15080855972792 0.66810708320174 0.96689469196415 85.468 > 16 *33 Mg 0.75872211204906 0.18864309039543 0.37577106951694 24.305 > 17 34 Mg 0.75872211204906 0.68864309039543 0.37577106951694 24.305 > 17 *35 Mg 0.41299102306541 0.47616238272580 0.04012032930141 24.305 > 18 36 Mg 0.41299102306541 0.97616238272580 0.04012032930141 24.305 > 18 37 Mg 0.58700897693459 0.22616238272580 0.45987967069859 24.305 > 19 38 Mg 0.58700897693459 0.72616238272580 0.45987967069859 24.305 > 19 39 Mg 0.24127788795094 0.43864309039543 0.12422893048306 24.305 > 20 40 Mg 0.24127788795094 0.93864309039543 0.12422893048306 24.305 > 20 41 Mg 0.75872211204906 0.06135690960457 0.87577106951694 24.305 > 21 42 Mg 0.75872211204906 0.56135690960457 0.87577106951694 24.305 > 21 43 Mg 0.41299102306541 0.27383761727420 0.54012032930141 24.305 > 22 44 Mg 0.41299102306541 0.77383761727420 0.54012032930141 24.305 > 22 45 Mg 0.58700897693459 0.02383761727420 0.95987967069859 24.305 > 23 46 Mg 0.58700897693459 0.52383761727420 0.95987967069859 24.305 > 23 47 Mg 0.24127788795094 0.31135690960457 0.62422893048306 24.305 > 24 48 Mg 0.24127788795094 0.81135690960457 0.62422893048306 24.305 > 24 *49 O 0.85959696208312 0.15498355285085 0.30462671474108 15.999 > 25 50 O 0.85959696208312 0.65498355285085 0.30462671474108 15.999 > 25 *51 O 0.63147586370471 0.43645466205833 0.07376260275190 15.999 > 26 52 O 0.63147586370471 0.93645466205833 0.07376260275190 15.999 > 26 *53 O 0.73937671689995 0.11386734063994 0.47494126659247 15.999 > 27 54 O 0.73937671689995 0.61386734063994 0.47494126659247 15.999 > 27 *55 O 0.61654158303281 0.30189910994479 0.35916620185381 15.999 > 28 56 O 0.61654158303281 0.80189910994479 0.35916620185381 15.999 > 28 57 O 0.38345841696719 0.05189910994479 0.14083379814618 15.999 > 29 58 O 0.38345841696719 0.55189910994479 0.14083379814618 15.999 > 29 59 O 0.26062328310005 0.36386734063994 0.02505873340752 15.999 > 30 60 O 0.26062328310005 0.86386734063994 0.02505873340752 15.999 > 30 61 O 0.85959696208312 0.09501644714915 0.80462671474108 15.999 > 31 62 O 0.85959696208312 0.59501644714915 0.80462671474108 15.999 > 31 63 O 0.63147586370471 0.31354533794167 0.57376260275190 15.999 > 32 64 O 0.63147586370471 0.81354533794167 0.57376260275190 15.999 > 32 65 O 0.36852413629529 0.18645466205833 0.42623739724810 15.999 > 33 66 O 0.36852413629529 0.68645466205833 0.42623739724810 15.999 > 33 67 O 0.14040303791688 0.40498355285085 0.19537328525892 15.999 > 34 68 O 0.14040303791688 0.90498355285085 0.19537328525892 15.999 > 34 69 O 0.73937671689995 0.13613265936006 0.97494126659248 15.999 > 35 70 O 0.73937671689995 0.63613265936006 0.97494126659248 15.999 > 35 71 O 0.61654158303281 0.44810089005521 0.85916620185381 15.999 > 36 72 O 0.61654158303281 0.94810089005521 0.85916620185381 15.999 > 36 73 O 0.38345841696719 0.19810089005521 0.64083379814619 15.999 > 37 74 O 0.38345841696719 0.69810089005521 0.64083379814619 15.999 > 37 75 O 0.26062328310005 0.38613265936006 0.52505873340752 15.999 > 38 76 O 0.26062328310005 0.88613265936006 0.52505873340752 15.999 > 38 77 O 0.36852413629529 0.06354533794167 0.92623739724810 15.999 > 39 78 O 0.36852413629529 0.56354533794167 0.92623739724810 15.999 > 39 79 O 0.14040303791688 0.34501644714915 0.69537328525892 15.999 > 40 80 O 0.14040303791688 0.84501644714915 0.69537328525892 15.999 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1378193 0.0000000 0.0431456 0.0000000 3.1326539 0.0000000 0.0431492 0.0000000 3.1956849 -------------------------- Born effective charges -------------------------- 1 Rb 1.1062458 -0.0643207 0.1167897 -0.0414999 1.2265155 0.1305161 0.1125164 0.1006129 1.0953870 2 Rb 1.1845918 -0.1118688 0.0494453 -0.0881724 1.0318072 0.1069913 0.0461439 0.0992172 1.1898305 3 Rb 1.0411606 0.0828099 -0.0524636 0.0809428 1.1621499 -0.1004424 -0.0544458 -0.0648868 1.1990172 4 Rb 1.0901070 0.0337866 0.0189700 0.0331426 1.3414572 -0.0528898 0.0145767 -0.0636558 1.1634565 5 Rb 1.1062458 0.0643207 0.1167897 0.0414999 1.2265155 -0.1305161 0.1125164 -0.1006129 1.0953870 6 Rb 1.1845918 0.1118688 0.0494453 0.0881724 1.0318072 -0.1069913 0.0461439 -0.0992172 1.1898305 7 Rb 1.0901070 -0.0337866 0.0189700 -0.0331426 1.3414572 0.0528898 0.0145767 0.0636558 1.1634565 8 Rb 1.0411606 -0.0828099 -0.0524636 -0.0809428 1.1621499 0.1004424 -0.0544458 0.0648868 1.1990172 9 Rb 1.0411606 -0.0828099 -0.0524636 -0.0809428 1.1621499 0.1004424 -0.0544458 0.0648868 1.1990172 10 Rb 1.0901070 -0.0337866 0.0189700 -0.0331426 1.3414572 0.0528898 0.0145767 0.0636558 1.1634565 11 Rb 1.1845918 0.1118688 0.0494453 0.0881724 1.0318072 -0.1069913 0.0461439 -0.0992172 1.1898305 12 Rb 1.1062458 0.0643207 0.1167897 0.0414999 1.2265155 -0.1305161 0.1125164 -0.1006129 1.0953870 13 Rb 1.0901070 0.0337866 0.0189700 0.0331426 1.3414572 -0.0528898 0.0145767 -0.0636558 1.1634565 14 Rb 1.0411606 0.0828099 -0.0524636 0.0809428 1.1621499 -0.1004424 -0.0544458 -0.0648868 1.1990172 15 Rb 1.1845918 -0.1118688 0.0494453 -0.0881724 1.0318072 0.1069913 0.0461439 0.0992172 1.1898305 16 Rb 1.1062458 -0.0643207 0.1167897 -0.0414999 1.2265155 0.1305161 0.1125164 0.1006129 1.0953870 17 Mg 1.5253718 -0.2023491 -0.3091330 -0.1924086 1.2611843 -0.0734829 -0.2762478 -0.1158730 1.3001437 18 Mg 1.7293106 0.1022934 -0.1893696 0.0642576 1.3296271 -0.0773752 -0.2059915 -0.0655387 1.4743998 19 Mg 1.7293106 -0.1022934 -0.1893696 -0.0642576 1.3296271 0.0773752 -0.2059915 0.0655387 1.4743998 20 Mg 1.5253718 0.2023491 -0.3091330 0.1924086 1.2611843 0.0734829 -0.2762478 0.1158730 1.3001437 21 Mg 1.5253718 0.2023491 -0.3091330 0.1924086 1.2611843 0.0734829 -0.2762478 0.1158730 1.3001437 22 Mg 1.7293106 -0.1022934 -0.1893696 -0.0642576 1.3296271 0.0773752 -0.2059915 0.0655387 1.4743998 23 Mg 1.7293106 0.1022934 -0.1893696 0.0642576 1.3296271 -0.0773752 -0.2059915 -0.0655387 1.4743998 24 Mg 1.5253718 -0.2023491 -0.3091330 -0.1924086 1.2611843 -0.0734829 -0.2762478 -0.1158730 1.3001437 25 O -2.0555077 -0.0183233 0.0072974 -0.0058500 -1.7437754 -0.1098186 -0.0083727 -0.0813027 -1.8756274 26 O -2.0577349 -0.0038478 0.1023685 0.0388192 -1.7370622 0.1233928 0.0975443 0.1088577 -1.9094981 27 O -1.7347763 0.1716917 0.1279286 0.1231487 -1.9819305 0.1359972 0.1327305 0.1266186 -1.8114666 28 O -1.8287689 0.0087407 0.1281668 0.0800984 -1.8899730 0.1664405 0.1415461 0.1581636 -1.8256424 29 O -1.8287689 -0.0087407 0.1281668 -0.0800984 -1.8899730 -0.1664405 0.1415461 -0.1581636 -1.8256424 30 O -1.7347763 -0.1716917 0.1279286 -0.1231487 -1.9819305 -0.1359972 0.1327305 -0.1266186 -1.8114666 31 O -2.0555077 0.0183233 0.0072974 0.0058500 -1.7437754 0.1098186 -0.0083727 0.0813027 -1.8756274 32 O -2.0577349 0.0038478 0.1023685 -0.0388192 -1.7370622 -0.1233928 0.0975443 -0.1088577 -1.9094981 33 O -2.0577349 0.0038478 0.1023685 -0.0388192 -1.7370622 -0.1233928 0.0975443 -0.1088577 -1.9094981 34 O -2.0555077 0.0183233 0.0072974 0.0058500 -1.7437754 0.1098186 -0.0083727 0.0813027 -1.8756274 35 O -1.7347763 -0.1716917 0.1279286 -0.1231487 -1.9819305 -0.1359972 0.1327305 -0.1266186 -1.8114666 36 O -1.8287689 -0.0087407 0.1281668 -0.0800984 -1.8899730 -0.1664405 0.1415461 -0.1581636 -1.8256424 37 O -1.8287689 0.0087407 0.1281668 0.0800984 -1.8899730 0.1664405 0.1415461 0.1581636 -1.8256424 38 O -1.7347763 0.1716917 0.1279286 0.1231487 -1.9819305 0.1359972 0.1327305 0.1266186 -1.8114666 39 O -2.0577349 -0.0038478 0.1023685 0.0388192 -1.7370622 0.1233928 0.0975443 0.1088577 -1.9094981 40 O -2.0555077 -0.0183233 0.0072974 -0.0058500 -1.7437754 -0.1098186 -0.0083727 -0.0813027 -1.8756274 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3690 Number of blocks in projector: 3690 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (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: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (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: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 430 Use standard eigh solver. Tree of FC basis block matrices: - (3690, 3601), data: False |-- (430, 420), data: True |-- (430, 420), data: True |-- (430, 420), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.790 Solver_block: 200 / 1200 - Time: 0.643 Solver_block: 300 / 1200 - Time: 0.642 Solver_block: 400 / 1200 - Time: 0.641 Solver_block: 500 / 1200 - Time: 0.634 Solver_block: 600 / 1200 - Time: 0.638 Solver_block: 700 / 1200 - Time: 0.644 Solver_block: 800 / 1200 - Time: 0.636 Solver_block: 900 / 1200 - Time: 0.635 Solver_block: 1000 / 1200 - Time: 0.634 Solver_block: 1100 / 1200 - Time: 0.633 Solver_block: 1200 / 1200 - Time: 0.636 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.982 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3690 Number of blocks in projector: 3690 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (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: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (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: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 430 Use standard eigh solver. Tree of FC basis block matrices: - (3690, 3601), data: False |-- (430, 420), data: True |-- (430, 420), data: True |-- (430, 420), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:31:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:31:34]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.742338026618535 0.000000000000000 0.000000000000000 b 0.000000000000000 6.427677789999999 0.000000000000000 c -7.930968449645986 0.000000000000000 13.885070057895183 Atomic positions (fractional): 1 Rb 0.84919144027208 0.66378583359651 0.03310530803585 85.468 2 Rb 0.91997699960899 0.12308952799498 0.16795429461058 85.468 3 Rb 0.68284516954130 0.92118310790858 0.26452326584866 85.468 4 Rb 0.57238240849972 0.43741401863777 0.12334051516681 85.468 5 Rb 0.84919144027208 0.83621416640349 0.53310530803585 85.468 6 Rb 0.91997699960899 0.37691047200502 0.66795429461058 85.468 7 Rb 0.42761759150028 0.93741401863777 0.37665948483319 85.468 8 Rb 0.31715483045870 0.42118310790858 0.23547673415134 85.468 9 Rb 0.68284516954130 0.57881689209142 0.76452326584866 85.468 10 Rb 0.57238240849972 0.06258598136223 0.62334051516681 85.468 11 Rb 0.08002300039101 0.62308952799498 0.33204570538942 85.468 12 Rb 0.15080855972792 0.16378583359651 0.46689469196415 85.468 13 Rb 0.42761759150028 0.56258598136223 0.87665948483319 85.468 14 Rb 0.31715483045870 0.07881689209142 0.73547673415134 85.468 15 Rb 0.08002300039101 0.87691047200502 0.83204570538942 85.468 16 Rb 0.15080855972792 0.33621416640349 0.96689469196415 85.468 17 Mg 0.75872211204906 0.37728618079086 0.37577106951694 24.305 18 Mg 0.41299102306541 0.95232476545161 0.04012032930141 24.305 19 Mg 0.58700897693459 0.45232476545161 0.45987967069859 24.305 20 Mg 0.24127788795094 0.87728618079086 0.12422893048306 24.305 21 Mg 0.75872211204906 0.12271381920914 0.87577106951694 24.305 22 Mg 0.41299102306541 0.54767523454839 0.54012032930141 24.305 23 Mg 0.58700897693459 0.04767523454839 0.95987967069859 24.305 24 Mg 0.24127788795094 0.62271381920914 0.62422893048306 24.305 25 O 0.85959696208312 0.30996710570171 0.30462671474108 15.999 26 O 0.63147586370471 0.87290932411666 0.07376260275190 15.999 27 O 0.73937671689995 0.22773468127988 0.47494126659247 15.999 28 O 0.61654158303281 0.60379821988957 0.35916620185381 15.999 29 O 0.38345841696719 0.10379821988957 0.14083379814618 15.999 30 O 0.26062328310005 0.72773468127988 0.02505873340752 15.999 31 O 0.85959696208312 0.19003289429829 0.80462671474108 15.999 32 O 0.63147586370471 0.62709067588334 0.57376260275190 15.999 33 O 0.36852413629529 0.37290932411666 0.42623739724810 15.999 34 O 0.14040303791688 0.80996710570171 0.19537328525892 15.999 35 O 0.73937671689995 0.27226531872012 0.97494126659248 15.999 36 O 0.61654158303281 0.89620178011043 0.85916620185381 15.999 37 O 0.38345841696719 0.39620178011043 0.64083379814619 15.999 38 O 0.26062328310005 0.77226531872012 0.52505873340752 15.999 39 O 0.36852413629529 0.12709067588334 0.92623739724810 15.999 40 O 0.14040303791688 0.69003289429829 0.69537328525892 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.742338026618535 0.000000000000000 0.000000000000000 b 0.000000000000000 12.855355579999998 0.000000000000000 c -7.930968449645986 0.000000000000000 13.885070057895183 Atomic positions (fractional): 1 Rb 0.84919144027208 0.33189291679826 0.03310530803585 85.468 > 1 2 Rb 0.84919144027208 0.83189291679826 0.03310530803585 85.468 > 1 3 Rb 0.91997699960899 0.06154476399749 0.16795429461058 85.468 > 3 4 Rb 0.91997699960899 0.56154476399749 0.16795429461058 85.468 > 3 5 Rb 0.68284516954130 0.46059155395429 0.26452326584866 85.468 > 5 6 Rb 0.68284516954130 0.96059155395429 0.26452326584866 85.468 > 5 7 Rb 0.57238240849972 0.21870700931889 0.12334051516681 85.468 > 7 8 Rb 0.57238240849972 0.71870700931889 0.12334051516681 85.468 > 7 9 Rb 0.84919144027208 0.41810708320174 0.53310530803585 85.468 > 9 10 Rb 0.84919144027208 0.91810708320174 0.53310530803585 85.468 > 9 11 Rb 0.91997699960899 0.18845523600251 0.66795429461058 85.468 > 11 12 Rb 0.91997699960899 0.68845523600251 0.66795429461058 85.468 > 11 13 Rb 0.42761759150028 0.46870700931889 0.37665948483319 85.468 > 13 14 Rb 0.42761759150028 0.96870700931889 0.37665948483319 85.468 > 13 15 Rb 0.31715483045870 0.21059155395429 0.23547673415134 85.468 > 15 16 Rb 0.31715483045870 0.71059155395429 0.23547673415134 85.468 > 15 17 Rb 0.68284516954130 0.28940844604571 0.76452326584866 85.468 > 17 18 Rb 0.68284516954130 0.78940844604571 0.76452326584866 85.468 > 17 19 Rb 0.57238240849972 0.03129299068111 0.62334051516681 85.468 > 19 20 Rb 0.57238240849972 0.53129299068111 0.62334051516681 85.468 > 19 21 Rb 0.08002300039101 0.31154476399749 0.33204570538942 85.468 > 21 22 Rb 0.08002300039101 0.81154476399749 0.33204570538942 85.468 > 21 23 Rb 0.15080855972792 0.08189291679826 0.46689469196415 85.468 > 23 24 Rb 0.15080855972792 0.58189291679826 0.46689469196415 85.468 > 23 25 Rb 0.42761759150028 0.28129299068111 0.87665948483319 85.468 > 25 26 Rb 0.42761759150028 0.78129299068111 0.87665948483319 85.468 > 25 27 Rb 0.31715483045870 0.03940844604571 0.73547673415134 85.468 > 27 28 Rb 0.31715483045870 0.53940844604571 0.73547673415134 85.468 > 27 29 Rb 0.08002300039101 0.43845523600251 0.83204570538942 85.468 > 29 30 Rb 0.08002300039101 0.93845523600251 0.83204570538942 85.468 > 29 31 Rb 0.15080855972792 0.16810708320174 0.96689469196415 85.468 > 31 32 Rb 0.15080855972792 0.66810708320174 0.96689469196415 85.468 > 31 33 Mg 0.75872211204906 0.18864309039543 0.37577106951694 24.305 > 33 34 Mg 0.75872211204906 0.68864309039543 0.37577106951694 24.305 > 33 35 Mg 0.41299102306541 0.47616238272580 0.04012032930141 24.305 > 35 36 Mg 0.41299102306541 0.97616238272580 0.04012032930141 24.305 > 35 37 Mg 0.58700897693459 0.22616238272580 0.45987967069859 24.305 > 37 38 Mg 0.58700897693459 0.72616238272580 0.45987967069859 24.305 > 37 39 Mg 0.24127788795094 0.43864309039543 0.12422893048306 24.305 > 39 40 Mg 0.24127788795094 0.93864309039543 0.12422893048306 24.305 > 39 41 Mg 0.75872211204906 0.06135690960457 0.87577106951694 24.305 > 41 42 Mg 0.75872211204906 0.56135690960457 0.87577106951694 24.305 > 41 43 Mg 0.41299102306541 0.27383761727420 0.54012032930141 24.305 > 43 44 Mg 0.41299102306541 0.77383761727420 0.54012032930141 24.305 > 43 45 Mg 0.58700897693459 0.02383761727420 0.95987967069859 24.305 > 45 46 Mg 0.58700897693459 0.52383761727420 0.95987967069859 24.305 > 45 47 Mg 0.24127788795094 0.31135690960457 0.62422893048306 24.305 > 47 48 Mg 0.24127788795094 0.81135690960457 0.62422893048306 24.305 > 47 49 O 0.85959696208312 0.15498355285085 0.30462671474108 15.999 > 49 50 O 0.85959696208312 0.65498355285085 0.30462671474108 15.999 > 49 51 O 0.63147586370471 0.43645466205833 0.07376260275190 15.999 > 51 52 O 0.63147586370471 0.93645466205833 0.07376260275190 15.999 > 51 53 O 0.73937671689995 0.11386734063994 0.47494126659247 15.999 > 53 54 O 0.73937671689995 0.61386734063994 0.47494126659247 15.999 > 53 55 O 0.61654158303281 0.30189910994479 0.35916620185381 15.999 > 55 56 O 0.61654158303281 0.80189910994479 0.35916620185381 15.999 > 55 57 O 0.38345841696719 0.05189910994479 0.14083379814618 15.999 > 57 58 O 0.38345841696719 0.55189910994479 0.14083379814618 15.999 > 57 59 O 0.26062328310005 0.36386734063994 0.02505873340752 15.999 > 59 60 O 0.26062328310005 0.86386734063994 0.02505873340752 15.999 > 59 61 O 0.85959696208312 0.09501644714915 0.80462671474108 15.999 > 61 62 O 0.85959696208312 0.59501644714915 0.80462671474108 15.999 > 61 63 O 0.63147586370471 0.31354533794167 0.57376260275190 15.999 > 63 64 O 0.63147586370471 0.81354533794167 0.57376260275190 15.999 > 63 65 O 0.36852413629529 0.18645466205833 0.42623739724810 15.999 > 65 66 O 0.36852413629529 0.68645466205833 0.42623739724810 15.999 > 65 67 O 0.14040303791688 0.40498355285085 0.19537328525892 15.999 > 67 68 O 0.14040303791688 0.90498355285085 0.19537328525892 15.999 > 67 69 O 0.73937671689995 0.13613265936006 0.97494126659248 15.999 > 69 70 O 0.73937671689995 0.63613265936006 0.97494126659248 15.999 > 69 71 O 0.61654158303281 0.44810089005521 0.85916620185381 15.999 > 71 72 O 0.61654158303281 0.94810089005521 0.85916620185381 15.999 > 71 73 O 0.38345841696719 0.19810089005521 0.64083379814619 15.999 > 73 74 O 0.38345841696719 0.69810089005521 0.64083379814619 15.999 > 73 75 O 0.26062328310005 0.38613265936006 0.52505873340752 15.999 > 75 76 O 0.26062328310005 0.88613265936006 0.52505873340752 15.999 > 75 77 O 0.36852413629529 0.06354533794167 0.92623739724810 15.999 > 77 78 O 0.36852413629529 0.56354533794167 0.92623739724810 15.999 > 77 79 O 0.14040303791688 0.34501644714915 0.69537328525892 15.999 > 79 80 O 0.14040303791688 0.84501644714915 0.69537328525892 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1378193 0.0000000 0.0431456 0.0000000 3.1326539 0.0000000 0.0431492 0.0000000 3.1956849 -------------------------- Born effective charges -------------------------- 1 Rb 1.1062458 -0.0643207 0.1167897 -0.0414999 1.2265155 0.1305161 0.1125164 0.1006129 1.0953870 2 Rb 1.1845918 -0.1118688 0.0494453 -0.0881724 1.0318072 0.1069913 0.0461439 0.0992172 1.1898305 3 Rb 1.0411606 0.0828099 -0.0524636 0.0809428 1.1621499 -0.1004424 -0.0544458 -0.0648868 1.1990172 4 Rb 1.0901070 0.0337866 0.0189700 0.0331426 1.3414572 -0.0528898 0.0145767 -0.0636558 1.1634565 5 Rb 1.1062458 0.0643207 0.1167897 0.0414999 1.2265155 -0.1305161 0.1125164 -0.1006129 1.0953870 6 Rb 1.1845918 0.1118688 0.0494453 0.0881724 1.0318072 -0.1069913 0.0461439 -0.0992172 1.1898305 7 Rb 1.0901070 -0.0337866 0.0189700 -0.0331426 1.3414572 0.0528898 0.0145767 0.0636558 1.1634565 8 Rb 1.0411606 -0.0828099 -0.0524636 -0.0809428 1.1621499 0.1004424 -0.0544458 0.0648868 1.1990172 9 Rb 1.0411606 -0.0828099 -0.0524636 -0.0809428 1.1621499 0.1004424 -0.0544458 0.0648868 1.1990172 10 Rb 1.0901070 -0.0337866 0.0189700 -0.0331426 1.3414572 0.0528898 0.0145767 0.0636558 1.1634565 11 Rb 1.1845918 0.1118688 0.0494453 0.0881724 1.0318072 -0.1069913 0.0461439 -0.0992172 1.1898305 12 Rb 1.1062458 0.0643207 0.1167897 0.0414999 1.2265155 -0.1305161 0.1125164 -0.1006129 1.0953870 13 Rb 1.0901070 0.0337866 0.0189700 0.0331426 1.3414572 -0.0528898 0.0145767 -0.0636558 1.1634565 14 Rb 1.0411606 0.0828099 -0.0524636 0.0809428 1.1621499 -0.1004424 -0.0544458 -0.0648868 1.1990172 15 Rb 1.1845918 -0.1118688 0.0494453 -0.0881724 1.0318072 0.1069913 0.0461439 0.0992172 1.1898305 16 Rb 1.1062458 -0.0643207 0.1167897 -0.0414999 1.2265155 0.1305161 0.1125164 0.1006129 1.0953870 17 Mg 1.5253718 -0.2023491 -0.3091330 -0.1924086 1.2611843 -0.0734829 -0.2762478 -0.1158730 1.3001437 18 Mg 1.7293106 0.1022934 -0.1893696 0.0642576 1.3296271 -0.0773752 -0.2059915 -0.0655387 1.4743998 19 Mg 1.7293106 -0.1022934 -0.1893696 -0.0642576 1.3296271 0.0773752 -0.2059915 0.0655387 1.4743998 20 Mg 1.5253718 0.2023491 -0.3091330 0.1924086 1.2611843 0.0734829 -0.2762478 0.1158730 1.3001437 21 Mg 1.5253718 0.2023491 -0.3091330 0.1924086 1.2611843 0.0734829 -0.2762478 0.1158730 1.3001437 22 Mg 1.7293106 -0.1022934 -0.1893696 -0.0642576 1.3296271 0.0773752 -0.2059915 0.0655387 1.4743998 23 Mg 1.7293106 0.1022934 -0.1893696 0.0642576 1.3296271 -0.0773752 -0.2059915 -0.0655387 1.4743998 24 Mg 1.5253718 -0.2023491 -0.3091330 -0.1924086 1.2611843 -0.0734829 -0.2762478 -0.1158730 1.3001437 25 O -2.0555077 -0.0183233 0.0072974 -0.0058500 -1.7437754 -0.1098186 -0.0083727 -0.0813027 -1.8756274 26 O -2.0577349 -0.0038478 0.1023685 0.0388192 -1.7370622 0.1233928 0.0975443 0.1088577 -1.9094981 27 O -1.7347763 0.1716917 0.1279286 0.1231487 -1.9819305 0.1359972 0.1327305 0.1266186 -1.8114666 28 O -1.8287689 0.0087407 0.1281668 0.0800984 -1.8899730 0.1664405 0.1415461 0.1581636 -1.8256424 29 O -1.8287689 -0.0087407 0.1281668 -0.0800984 -1.8899730 -0.1664405 0.1415461 -0.1581636 -1.8256424 30 O -1.7347763 -0.1716917 0.1279286 -0.1231487 -1.9819305 -0.1359972 0.1327305 -0.1266186 -1.8114666 31 O -2.0555077 0.0183233 0.0072974 0.0058500 -1.7437754 0.1098186 -0.0083727 0.0813027 -1.8756274 32 O -2.0577349 0.0038478 0.1023685 -0.0388192 -1.7370622 -0.1233928 0.0975443 -0.1088577 -1.9094981 33 O -2.0577349 0.0038478 0.1023685 -0.0388192 -1.7370622 -0.1233928 0.0975443 -0.1088577 -1.9094981 34 O -2.0555077 0.0183233 0.0072974 0.0058500 -1.7437754 0.1098186 -0.0083727 0.0813027 -1.8756274 35 O -1.7347763 -0.1716917 0.1279286 -0.1231487 -1.9819305 -0.1359972 0.1327305 -0.1266186 -1.8114666 36 O -1.8287689 -0.0087407 0.1281668 -0.0800984 -1.8899730 -0.1664405 0.1415461 -0.1581636 -1.8256424 37 O -1.8287689 0.0087407 0.1281668 0.0800984 -1.8899730 0.1664405 0.1415461 0.1581636 -1.8256424 38 O -1.7347763 0.1716917 0.1279286 0.1231487 -1.9819305 0.1359972 0.1327305 0.1266186 -1.8114666 39 O -2.0577349 -0.0038478 0.1023685 0.0388192 -1.7370622 0.1233928 0.0975443 0.1088577 -1.9094981 40 O -2.0555077 -0.0183233 0.0072974 -0.0058500 -1.7437754 -0.1098186 -0.0083727 -0.0813027 -1.8756274 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 2026-01-09 03:32:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:32:02]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.742338026618535 0.000000000000000 0.000000000000000 b 0.000000000000000 6.427677789999999 0.000000000000000 c -7.930968449645986 0.000000000000000 13.885070057895183 Atomic positions (fractional): 1 Rb 0.84919144027208 0.66378583359651 0.03310530803585 85.468 2 Rb 0.91997699960899 0.12308952799498 0.16795429461058 85.468 3 Rb 0.68284516954130 0.92118310790858 0.26452326584866 85.468 4 Rb 0.57238240849972 0.43741401863777 0.12334051516681 85.468 5 Rb 0.84919144027208 0.83621416640349 0.53310530803585 85.468 6 Rb 0.91997699960899 0.37691047200502 0.66795429461058 85.468 7 Rb 0.42761759150028 0.93741401863777 0.37665948483319 85.468 8 Rb 0.31715483045870 0.42118310790858 0.23547673415134 85.468 9 Rb 0.68284516954130 0.57881689209142 0.76452326584866 85.468 10 Rb 0.57238240849972 0.06258598136223 0.62334051516681 85.468 11 Rb 0.08002300039101 0.62308952799498 0.33204570538942 85.468 12 Rb 0.15080855972792 0.16378583359651 0.46689469196415 85.468 13 Rb 0.42761759150028 0.56258598136223 0.87665948483319 85.468 14 Rb 0.31715483045870 0.07881689209142 0.73547673415134 85.468 15 Rb 0.08002300039101 0.87691047200502 0.83204570538942 85.468 16 Rb 0.15080855972792 0.33621416640349 0.96689469196415 85.468 17 Mg 0.75872211204906 0.37728618079086 0.37577106951694 24.305 18 Mg 0.41299102306541 0.95232476545161 0.04012032930141 24.305 19 Mg 0.58700897693459 0.45232476545161 0.45987967069859 24.305 20 Mg 0.24127788795094 0.87728618079086 0.12422893048306 24.305 21 Mg 0.75872211204906 0.12271381920914 0.87577106951694 24.305 22 Mg 0.41299102306541 0.54767523454839 0.54012032930141 24.305 23 Mg 0.58700897693459 0.04767523454839 0.95987967069859 24.305 24 Mg 0.24127788795094 0.62271381920914 0.62422893048306 24.305 25 O 0.85959696208312 0.30996710570171 0.30462671474108 15.999 26 O 0.63147586370471 0.87290932411666 0.07376260275190 15.999 27 O 0.73937671689995 0.22773468127988 0.47494126659247 15.999 28 O 0.61654158303281 0.60379821988957 0.35916620185381 15.999 29 O 0.38345841696719 0.10379821988957 0.14083379814618 15.999 30 O 0.26062328310005 0.72773468127988 0.02505873340752 15.999 31 O 0.85959696208312 0.19003289429829 0.80462671474108 15.999 32 O 0.63147586370471 0.62709067588334 0.57376260275190 15.999 33 O 0.36852413629529 0.37290932411666 0.42623739724810 15.999 34 O 0.14040303791688 0.80996710570171 0.19537328525892 15.999 35 O 0.73937671689995 0.27226531872012 0.97494126659248 15.999 36 O 0.61654158303281 0.89620178011043 0.85916620185381 15.999 37 O 0.38345841696719 0.39620178011043 0.64083379814619 15.999 38 O 0.26062328310005 0.77226531872012 0.52505873340752 15.999 39 O 0.36852413629529 0.12709067588334 0.92623739724810 15.999 40 O 0.14040303791688 0.69003289429829 0.69537328525892 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.742338026618535 0.000000000000000 0.000000000000000 b 0.000000000000000 12.855355579999998 0.000000000000000 c -7.930968449645986 0.000000000000000 13.885070057895183 Atomic positions (fractional): 1 Rb 0.84919144027208 0.33189291679826 0.03310530803585 85.468 > 1 2 Rb 0.84919144027208 0.83189291679826 0.03310530803585 85.468 > 1 3 Rb 0.91997699960899 0.06154476399749 0.16795429461058 85.468 > 3 4 Rb 0.91997699960899 0.56154476399749 0.16795429461058 85.468 > 3 5 Rb 0.68284516954130 0.46059155395429 0.26452326584866 85.468 > 5 6 Rb 0.68284516954130 0.96059155395429 0.26452326584866 85.468 > 5 7 Rb 0.57238240849972 0.21870700931889 0.12334051516681 85.468 > 7 8 Rb 0.57238240849972 0.71870700931889 0.12334051516681 85.468 > 7 9 Rb 0.84919144027208 0.41810708320174 0.53310530803585 85.468 > 9 10 Rb 0.84919144027208 0.91810708320174 0.53310530803585 85.468 > 9 11 Rb 0.91997699960899 0.18845523600251 0.66795429461058 85.468 > 11 12 Rb 0.91997699960899 0.68845523600251 0.66795429461058 85.468 > 11 13 Rb 0.42761759150028 0.46870700931889 0.37665948483319 85.468 > 13 14 Rb 0.42761759150028 0.96870700931889 0.37665948483319 85.468 > 13 15 Rb 0.31715483045870 0.21059155395429 0.23547673415134 85.468 > 15 16 Rb 0.31715483045870 0.71059155395429 0.23547673415134 85.468 > 15 17 Rb 0.68284516954130 0.28940844604571 0.76452326584866 85.468 > 17 18 Rb 0.68284516954130 0.78940844604571 0.76452326584866 85.468 > 17 19 Rb 0.57238240849972 0.03129299068111 0.62334051516681 85.468 > 19 20 Rb 0.57238240849972 0.53129299068111 0.62334051516681 85.468 > 19 21 Rb 0.08002300039101 0.31154476399749 0.33204570538942 85.468 > 21 22 Rb 0.08002300039101 0.81154476399749 0.33204570538942 85.468 > 21 23 Rb 0.15080855972792 0.08189291679826 0.46689469196415 85.468 > 23 24 Rb 0.15080855972792 0.58189291679826 0.46689469196415 85.468 > 23 25 Rb 0.42761759150028 0.28129299068111 0.87665948483319 85.468 > 25 26 Rb 0.42761759150028 0.78129299068111 0.87665948483319 85.468 > 25 27 Rb 0.31715483045870 0.03940844604571 0.73547673415134 85.468 > 27 28 Rb 0.31715483045870 0.53940844604571 0.73547673415134 85.468 > 27 29 Rb 0.08002300039101 0.43845523600251 0.83204570538942 85.468 > 29 30 Rb 0.08002300039101 0.93845523600251 0.83204570538942 85.468 > 29 31 Rb 0.15080855972792 0.16810708320174 0.96689469196415 85.468 > 31 32 Rb 0.15080855972792 0.66810708320174 0.96689469196415 85.468 > 31 33 Mg 0.75872211204906 0.18864309039543 0.37577106951694 24.305 > 33 34 Mg 0.75872211204906 0.68864309039543 0.37577106951694 24.305 > 33 35 Mg 0.41299102306541 0.47616238272580 0.04012032930141 24.305 > 35 36 Mg 0.41299102306541 0.97616238272580 0.04012032930141 24.305 > 35 37 Mg 0.58700897693459 0.22616238272580 0.45987967069859 24.305 > 37 38 Mg 0.58700897693459 0.72616238272580 0.45987967069859 24.305 > 37 39 Mg 0.24127788795094 0.43864309039543 0.12422893048306 24.305 > 39 40 Mg 0.24127788795094 0.93864309039543 0.12422893048306 24.305 > 39 41 Mg 0.75872211204906 0.06135690960457 0.87577106951694 24.305 > 41 42 Mg 0.75872211204906 0.56135690960457 0.87577106951694 24.305 > 41 43 Mg 0.41299102306541 0.27383761727420 0.54012032930141 24.305 > 43 44 Mg 0.41299102306541 0.77383761727420 0.54012032930141 24.305 > 43 45 Mg 0.58700897693459 0.02383761727420 0.95987967069859 24.305 > 45 46 Mg 0.58700897693459 0.52383761727420 0.95987967069859 24.305 > 45 47 Mg 0.24127788795094 0.31135690960457 0.62422893048306 24.305 > 47 48 Mg 0.24127788795094 0.81135690960457 0.62422893048306 24.305 > 47 49 O 0.85959696208312 0.15498355285085 0.30462671474108 15.999 > 49 50 O 0.85959696208312 0.65498355285085 0.30462671474108 15.999 > 49 51 O 0.63147586370471 0.43645466205833 0.07376260275190 15.999 > 51 52 O 0.63147586370471 0.93645466205833 0.07376260275190 15.999 > 51 53 O 0.73937671689995 0.11386734063994 0.47494126659247 15.999 > 53 54 O 0.73937671689995 0.61386734063994 0.47494126659247 15.999 > 53 55 O 0.61654158303281 0.30189910994479 0.35916620185381 15.999 > 55 56 O 0.61654158303281 0.80189910994479 0.35916620185381 15.999 > 55 57 O 0.38345841696719 0.05189910994479 0.14083379814618 15.999 > 57 58 O 0.38345841696719 0.55189910994479 0.14083379814618 15.999 > 57 59 O 0.26062328310005 0.36386734063994 0.02505873340752 15.999 > 59 60 O 0.26062328310005 0.86386734063994 0.02505873340752 15.999 > 59 61 O 0.85959696208312 0.09501644714915 0.80462671474108 15.999 > 61 62 O 0.85959696208312 0.59501644714915 0.80462671474108 15.999 > 61 63 O 0.63147586370471 0.31354533794167 0.57376260275190 15.999 > 63 64 O 0.63147586370471 0.81354533794167 0.57376260275190 15.999 > 63 65 O 0.36852413629529 0.18645466205833 0.42623739724810 15.999 > 65 66 O 0.36852413629529 0.68645466205833 0.42623739724810 15.999 > 65 67 O 0.14040303791688 0.40498355285085 0.19537328525892 15.999 > 67 68 O 0.14040303791688 0.90498355285085 0.19537328525892 15.999 > 67 69 O 0.73937671689995 0.13613265936006 0.97494126659248 15.999 > 69 70 O 0.73937671689995 0.63613265936006 0.97494126659248 15.999 > 69 71 O 0.61654158303281 0.44810089005521 0.85916620185381 15.999 > 71 72 O 0.61654158303281 0.94810089005521 0.85916620185381 15.999 > 71 73 O 0.38345841696719 0.19810089005521 0.64083379814619 15.999 > 73 74 O 0.38345841696719 0.69810089005521 0.64083379814619 15.999 > 73 75 O 0.26062328310005 0.38613265936006 0.52505873340752 15.999 > 75 76 O 0.26062328310005 0.88613265936006 0.52505873340752 15.999 > 75 77 O 0.36852413629529 0.06354533794167 0.92623739724810 15.999 > 77 78 O 0.36852413629529 0.56354533794167 0.92623739724810 15.999 > 77 79 O 0.14040303791688 0.34501644714915 0.69537328525892 15.999 > 79 80 O 0.14040303791688 0.84501644714915 0.69537328525892 15.999 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1378193 0.0000000 0.0431456 0.0000000 3.1326539 0.0000000 0.0431492 0.0000000 3.1956849 -------------------------- Born effective charges -------------------------- 1 Rb 1.1062458 -0.0643207 0.1167897 -0.0414999 1.2265155 0.1305161 0.1125164 0.1006129 1.0953870 2 Rb 1.1845918 -0.1118688 0.0494453 -0.0881724 1.0318072 0.1069913 0.0461439 0.0992172 1.1898305 3 Rb 1.0411606 0.0828099 -0.0524636 0.0809428 1.1621499 -0.1004424 -0.0544458 -0.0648868 1.1990172 4 Rb 1.0901070 0.0337866 0.0189700 0.0331426 1.3414572 -0.0528898 0.0145767 -0.0636558 1.1634565 5 Rb 1.1062458 0.0643207 0.1167897 0.0414999 1.2265155 -0.1305161 0.1125164 -0.1006129 1.0953870 6 Rb 1.1845918 0.1118688 0.0494453 0.0881724 1.0318072 -0.1069913 0.0461439 -0.0992172 1.1898305 7 Rb 1.0901070 -0.0337866 0.0189700 -0.0331426 1.3414572 0.0528898 0.0145767 0.0636558 1.1634565 8 Rb 1.0411606 -0.0828099 -0.0524636 -0.0809428 1.1621499 0.1004424 -0.0544458 0.0648868 1.1990172 9 Rb 1.0411606 -0.0828099 -0.0524636 -0.0809428 1.1621499 0.1004424 -0.0544458 0.0648868 1.1990172 10 Rb 1.0901070 -0.0337866 0.0189700 -0.0331426 1.3414572 0.0528898 0.0145767 0.0636558 1.1634565 11 Rb 1.1845918 0.1118688 0.0494453 0.0881724 1.0318072 -0.1069913 0.0461439 -0.0992172 1.1898305 12 Rb 1.1062458 0.0643207 0.1167897 0.0414999 1.2265155 -0.1305161 0.1125164 -0.1006129 1.0953870 13 Rb 1.0901070 0.0337866 0.0189700 0.0331426 1.3414572 -0.0528898 0.0145767 -0.0636558 1.1634565 14 Rb 1.0411606 0.0828099 -0.0524636 0.0809428 1.1621499 -0.1004424 -0.0544458 -0.0648868 1.1990172 15 Rb 1.1845918 -0.1118688 0.0494453 -0.0881724 1.0318072 0.1069913 0.0461439 0.0992172 1.1898305 16 Rb 1.1062458 -0.0643207 0.1167897 -0.0414999 1.2265155 0.1305161 0.1125164 0.1006129 1.0953870 17 Mg 1.5253718 -0.2023491 -0.3091330 -0.1924086 1.2611843 -0.0734829 -0.2762478 -0.1158730 1.3001437 18 Mg 1.7293106 0.1022934 -0.1893696 0.0642576 1.3296271 -0.0773752 -0.2059915 -0.0655387 1.4743998 19 Mg 1.7293106 -0.1022934 -0.1893696 -0.0642576 1.3296271 0.0773752 -0.2059915 0.0655387 1.4743998 20 Mg 1.5253718 0.2023491 -0.3091330 0.1924086 1.2611843 0.0734829 -0.2762478 0.1158730 1.3001437 21 Mg 1.5253718 0.2023491 -0.3091330 0.1924086 1.2611843 0.0734829 -0.2762478 0.1158730 1.3001437 22 Mg 1.7293106 -0.1022934 -0.1893696 -0.0642576 1.3296271 0.0773752 -0.2059915 0.0655387 1.4743998 23 Mg 1.7293106 0.1022934 -0.1893696 0.0642576 1.3296271 -0.0773752 -0.2059915 -0.0655387 1.4743998 24 Mg 1.5253718 -0.2023491 -0.3091330 -0.1924086 1.2611843 -0.0734829 -0.2762478 -0.1158730 1.3001437 25 O -2.0555077 -0.0183233 0.0072974 -0.0058500 -1.7437754 -0.1098186 -0.0083727 -0.0813027 -1.8756274 26 O -2.0577349 -0.0038478 0.1023685 0.0388192 -1.7370622 0.1233928 0.0975443 0.1088577 -1.9094981 27 O -1.7347763 0.1716917 0.1279286 0.1231487 -1.9819305 0.1359972 0.1327305 0.1266186 -1.8114666 28 O -1.8287689 0.0087407 0.1281668 0.0800984 -1.8899730 0.1664405 0.1415461 0.1581636 -1.8256424 29 O -1.8287689 -0.0087407 0.1281668 -0.0800984 -1.8899730 -0.1664405 0.1415461 -0.1581636 -1.8256424 30 O -1.7347763 -0.1716917 0.1279286 -0.1231487 -1.9819305 -0.1359972 0.1327305 -0.1266186 -1.8114666 31 O -2.0555077 0.0183233 0.0072974 0.0058500 -1.7437754 0.1098186 -0.0083727 0.0813027 -1.8756274 32 O -2.0577349 0.0038478 0.1023685 -0.0388192 -1.7370622 -0.1233928 0.0975443 -0.1088577 -1.9094981 33 O -2.0577349 0.0038478 0.1023685 -0.0388192 -1.7370622 -0.1233928 0.0975443 -0.1088577 -1.9094981 34 O -2.0555077 0.0183233 0.0072974 0.0058500 -1.7437754 0.1098186 -0.0083727 0.0813027 -1.8756274 35 O -1.7347763 -0.1716917 0.1279286 -0.1231487 -1.9819305 -0.1359972 0.1327305 -0.1266186 -1.8114666 36 O -1.8287689 -0.0087407 0.1281668 -0.0800984 -1.8899730 -0.1664405 0.1415461 -0.1581636 -1.8256424 37 O -1.8287689 0.0087407 0.1281668 0.0800984 -1.8899730 0.1664405 0.1415461 0.1581636 -1.8256424 38 O -1.7347763 0.1716917 0.1279286 0.1231487 -1.9819305 0.1359972 0.1327305 0.1266186 -1.8114666 39 O -2.0577349 -0.0038478 0.1023685 0.0388192 -1.7370622 0.1233928 0.0975443 0.1088577 -1.9094981 40 O -2.0555077 -0.0183233 0.0072974 -0.0058500 -1.7437754 -0.1098186 -0.0083727 -0.0813027 -1.8756274 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 8 4 ] 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: 0.44, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 70 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 0.971 ( 0.000 0.000 0.000) 0.000 1.061 ( 0.000 0.000 0.000) 0.000 1.061 ( 0.000 0.000 0.000) 0.000 1.216 ( 0.000 0.000 0.000) 0.000 1.256 ( 0.000 0.000 0.000) 0.000 1.291 ( 0.000 0.000 0.000) 0.000 1.421 ( 0.000 0.000 0.000) 0.000 1.428 ( 0.000 0.000 0.000) 0.000 1.540 ( 0.000 0.000 0.000) 0.000 1.594 ( 0.000 0.000 0.000) 0.000 1.610 ( 0.000 0.000 0.000) 0.000 1.630 ( 0.000 0.000 0.000) 0.000 1.747 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 1.891 ( 0.000 0.000 0.000) 0.000 1.910 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.065 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.308 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.768 ( 0.000 0.000 0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 2.960 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 4.101 ( 0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.490 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 4.955 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.318 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.839 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 0.000) 0.000 6.609 ( 0.000 0.000 0.000) 0.000 6.882 ( 0.000 0.000 0.000) 0.000 6.961 ( 0.000 0.000 0.000) 0.000 7.136 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.331 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 0.000 0.000) 0.000 7.867 ( 0.000 0.000 0.000) 0.000 8.037 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.734 ( 0.000 0.000 0.000) 0.000 8.784 ( 0.000 0.000 0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 9.249 ( 0.000 0.000 0.000) 0.000 9.322 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 11.343 ( 0.000 0.000 0.000) 0.000 11.499 ( 0.000 0.000 0.000) 0.000 12.516 ( 0.000 0.000 0.000) 0.000 12.576 ( 0.000 0.000 0.000) 0.000 12.627 ( 0.000 0.000 0.000) 0.000 12.692 ( 0.000 0.000 0.000) 0.000 13.017 ( 0.000 0.000 0.000) 0.000 13.018 ( 0.000 0.000 0.000) 0.000 13.251 ( 0.000 0.000 0.000) 0.000 13.533 ( 0.000 0.000 0.000) 0.000 14.255 ( 0.000 0.000 0.000) 0.000 14.324 ( 0.000 0.000 0.000) 0.000 14.605 ( 0.000 0.000 0.000) 0.000 14.892 ( 0.000 0.000 0.000) 0.000 15.172 ( 0.000 0.000 0.000) 0.000 15.247 ( 0.000 0.000 0.000) 0.000 15.474 ( 0.000 0.000 0.000) 0.000 15.500 ( 0.000 0.000 0.000) 0.000 15.513 ( 0.000 0.000 0.000) 0.000 15.519 ( 0.000 0.000 0.000) 0.000 15.894 ( 0.000 0.000 0.000) 0.000 15.914 ( 0.000 0.000 0.000) 0.000 16.012 ( 0.000 0.000 0.000) 0.000 16.376 ( 0.000 0.000 0.000) 0.000 16.495 ( 0.000 0.000 0.000) 0.000 16.571 ( 0.000 0.000 0.000) 0.000 19.650 ( 0.000 0.000 0.000) 0.000 19.683 ( 0.000 0.000 0.000) 0.000 19.692 ( 0.000 0.000 0.000) 0.000 20.063 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 20.252 0.000 -5.287) 20.931 0.327 ( 14.854 0.000 6.795) 16.335 0.571 ( 21.862 0.000 17.284) 27.869 0.968 ( 3.726 0.000 -5.166) 6.369 0.971 ( -9.809 0.000 -2.085) 10.028 1.089 ( 1.080 0.000 -1.221) 1.630 1.193 ( -3.773 0.000 -2.926) 4.775 1.219 ( -2.830 0.000 -0.130) 2.833 1.322 ( 4.574 0.000 -2.736) 5.330 1.417 ( -0.858 0.000 -3.038) 3.157 1.423 ( -1.930 0.000 2.625) 3.258 1.535 ( 1.454 0.000 -3.259) 3.569 1.590 ( -1.960 0.000 -0.069) 1.961 1.617 ( 2.447 0.000 -0.138) 2.451 1.676 ( 0.975 0.000 -0.300) 1.020 1.757 ( -3.999 0.000 -0.191) 4.004 1.768 ( 2.986 0.000 2.555) 3.930 1.843 ( -3.051 0.000 -0.541) 3.099 1.898 ( -0.466 0.000 -0.644) 0.795 1.904 ( -1.646 0.000 -0.816) 1.837 1.962 ( -5.083 0.000 -2.036) 5.475 2.044 ( -0.237 0.000 3.429) 3.437 2.070 ( 0.306 0.000 1.070) 1.113 2.203 ( -5.365 0.000 -1.490) 5.568 2.220 ( 1.943 0.000 -0.264) 1.961 2.259 ( 1.750 0.000 -1.190) 2.116 2.265 ( 1.110 0.000 1.294) 1.704 2.354 ( 2.623 0.000 -0.564) 2.683 2.359 ( 0.123 0.000 4.655) 4.656 2.452 ( -0.322 0.000 -2.282) 2.305 2.512 ( 5.873 0.000 4.435) 7.359 2.570 ( -1.142 0.000 -5.510) 5.627 2.581 ( 0.889 0.000 3.781) 3.884 2.661 ( 0.019 0.000 -2.398) 2.398 2.682 ( -1.719 0.000 3.108) 3.552 2.709 ( -0.977 0.000 -1.324) 1.646 2.782 ( 1.876 0.000 0.338) 1.907 2.783 ( -2.131 0.000 -0.771) 2.267 2.849 ( 4.607 0.000 -8.833) 9.963 2.850 ( 0.498 0.000 -0.579) 0.763 2.886 ( 3.869 0.000 0.412) 3.891 2.896 ( 1.215 0.000 -4.925) 5.073 2.941 ( 0.670 0.000 -0.490) 0.830 2.952 ( 5.959 0.000 -4.101) 7.234 3.104 ( 3.053 0.000 -0.113) 3.055 3.164 ( 1.359 0.000 3.951) 4.178 3.311 ( -1.318 0.000 2.358) 2.701 3.402 ( -2.320 0.000 1.478) 2.751 3.475 ( 6.551 0.000 -2.484) 7.006 3.693 ( 0.125 0.000 0.907) 0.916 3.711 ( -1.180 0.000 1.545) 1.944 3.820 ( -0.019 0.000 -5.587) 5.587 4.106 ( 0.918 0.000 -0.696) 1.152 4.192 ( 4.292 0.000 -4.788) 6.430 4.201 ( 3.127 0.000 -1.772) 3.594 4.258 ( 1.735 0.000 1.185) 2.101 4.363 ( -1.641 0.000 0.835) 1.841 4.404 ( 0.953 0.000 -2.407) 2.589 4.561 ( -1.686 0.000 -0.026) 1.686 4.680 ( -1.949 0.000 -1.491) 2.454 4.889 ( -7.577 0.000 0.575) 7.598 4.904 ( -25.144 0.000 21.183) 32.877 5.267 ( -5.320 0.000 1.275) 5.471 5.345 ( 5.092 0.000 0.192) 5.096 5.357 ( 3.101 0.000 -1.098) 3.289 5.519 ( -3.746 0.000 -0.342) 3.761 5.646 ( -1.690 0.000 -1.706) 2.401 5.798 ( 12.427 0.000 -4.910) 13.362 5.937 ( -3.861 0.000 4.512) 5.939 6.088 ( -11.843 0.000 6.885) 13.699 6.189 ( 11.239 0.000 -0.286) 11.243 6.236 ( -1.822 0.000 3.994) 4.390 6.509 ( 10.871 0.000 -8.973) 14.096 6.676 ( 11.539 0.000 -9.910) 15.211 6.827 ( -8.349 0.000 8.262) 11.746 7.030 ( 10.649 0.000 -9.533) 14.293 7.121 ( -23.251 0.000 14.598) 27.453 7.352 ( -2.509 0.000 8.801) 9.152 7.494 ( -1.034 0.000 -0.630) 1.211 7.710 ( 18.132 0.000 -5.926) 19.075 7.756 ( -11.649 0.000 0.518) 11.660 7.866 ( -17.248 0.000 0.685) 17.261 8.718 ( -5.819 0.000 2.920) 6.510 8.861 ( 15.833 0.000 -7.058) 17.335 9.010 ( -3.589 0.000 -0.504) 3.625 9.076 ( -19.990 0.000 32.124) 37.836 9.288 ( 3.277 0.000 1.923) 3.799 9.367 ( 4.627 0.000 0.196) 4.631 9.747 ( -8.129 0.000 -0.792) 8.168 9.959 ( -0.240 0.000 -0.219) 0.324 11.309 ( -3.456 0.000 -0.389) 3.478 11.461 ( -4.348 0.000 0.495) 4.376 12.500 ( -1.861 0.000 0.669) 1.978 12.549 ( -2.733 0.000 0.409) 2.764 12.645 ( -0.149 0.000 2.062) 2.068 12.698 ( 0.689 0.000 -0.357) 0.776 13.009 ( -0.847 0.000 0.113) 0.855 13.019 ( -0.053 0.000 0.184) 0.192 13.284 ( 3.335 0.000 -0.150) 3.339 13.568 ( 3.733 0.000 -2.467) 4.474 14.272 ( 1.434 0.000 0.670) 1.583 14.330 ( 1.029 0.000 -0.540) 1.162 14.616 ( -2.564 0.000 4.822) 5.461 14.865 ( -2.244 0.000 -1.099) 2.499 15.285 ( 2.094 0.000 1.990) 2.888 15.429 ( 3.989 0.000 -8.166) 9.088 15.452 ( 1.910 0.000 -6.474) 6.749 15.495 ( -0.790 0.000 -0.399) 0.886 15.595 ( 5.719 0.000 -6.016) 8.301 15.610 ( 6.545 0.000 4.998) 8.235 15.903 ( 0.978 0.000 -0.109) 0.984 15.942 ( 2.777 0.000 0.546) 2.830 16.375 ( -0.081 0.000 -0.041) 0.091 16.414 ( -6.776 0.000 -0.218) 6.779 16.622 ( 4.306 0.000 -1.159) 4.459 16.710 ( -0.968 0.000 -2.551) 2.729 19.686 ( -0.167 0.000 0.897) 0.913 19.711 ( 0.816 0.000 2.028) 2.186 19.796 ( 13.130 0.000 -24.416) 27.723 20.112 ( 4.442 0.000 1.689) 4.752 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 13.127 0.000 -2.503) 13.363 0.599 ( 1.443 0.000 1.904) 2.389 0.724 ( 0.933 0.000 -7.791) 7.847 0.985 ( 4.374 0.000 4.695) 6.417 1.039 ( 6.344 0.000 3.965) 7.481 1.092 ( -4.017 0.000 5.204) 6.573 1.146 ( 6.025 0.000 2.837) 6.659 1.211 ( -0.481 0.000 -1.216) 1.308 1.332 ( -3.051 0.000 -4.134) 5.138 1.349 ( -0.426 0.000 1.224) 1.296 1.461 ( 3.170 0.000 2.416) 3.985 1.513 ( -0.037 0.000 -4.902) 4.903 1.561 ( -2.066 0.000 1.743) 2.703 1.621 ( -3.511 0.000 -3.870) 5.225 1.661 ( 1.737 0.000 1.105) 2.059 1.694 ( -1.670 0.000 -1.419) 2.191 1.777 ( -4.938 0.000 1.301) 5.107 1.788 ( -3.001 0.000 -2.691) 4.031 1.897 ( 3.313 0.000 -3.921) 5.133 1.918 ( -1.232 0.000 2.118) 2.450 1.929 ( 1.106 0.000 7.660) 7.740 2.018 ( -0.436 0.000 -2.098) 2.143 2.110 ( 1.768 0.000 1.944) 2.627 2.163 ( 1.554 0.000 0.049) 1.555 2.213 ( -1.131 0.000 -2.392) 2.646 2.245 ( 1.829 0.000 -0.560) 1.913 2.317 ( -0.342 0.000 2.499) 2.522 2.360 ( -3.371 0.000 1.971) 3.905 2.425 ( -0.013 0.000 -0.052) 0.053 2.468 ( 5.484 0.000 3.094) 6.297 2.485 ( -1.330 0.000 -5.651) 5.805 2.591 ( -2.025 0.000 -5.674) 6.025 2.623 ( 1.286 0.000 1.932) 2.320 2.636 ( -4.549 0.000 -2.412) 5.149 2.640 ( 3.202 0.000 3.470) 4.722 2.669 ( -5.085 0.000 -5.185) 7.262 2.691 ( -0.416 0.000 1.698) 1.748 2.825 ( 1.587 0.000 1.321) 2.065 2.852 ( -0.190 0.000 -1.034) 1.051 2.885 ( 3.617 0.000 -0.660) 3.677 2.922 ( -1.263 0.000 0.574) 1.387 2.930 ( 3.165 0.000 -0.392) 3.189 2.975 ( 3.668 0.000 0.392) 3.689 3.038 ( 11.933 0.000 -8.813) 14.835 3.170 ( 4.837 0.000 -1.154) 4.972 3.210 ( -2.149 0.000 5.573) 5.973 3.306 ( -2.798 0.000 3.772) 4.697 3.361 ( -3.700 0.000 2.127) 4.268 3.548 ( 4.602 0.000 -4.389) 6.360 3.690 ( -5.324 0.000 3.216) 6.220 3.748 ( 3.536 0.000 3.983) 5.326 3.766 ( 0.927 0.000 -3.980) 4.087 4.129 ( 3.667 0.000 -2.113) 4.232 4.219 ( 2.103 0.000 -2.164) 3.017 4.255 ( 2.669 0.000 -1.478) 3.051 4.267 ( 0.547 0.000 -1.293) 1.404 4.351 ( -0.811 0.000 1.697) 1.881 4.394 ( -0.115 0.000 -0.894) 0.902 4.526 ( -2.550 0.000 1.005) 2.741 4.620 ( -2.662 0.000 -1.875) 3.256 4.660 ( -18.137 0.000 8.770) 20.146 4.737 ( -9.377 0.000 0.892) 9.419 5.194 ( -2.621 0.000 -0.468) 2.662 5.397 ( -0.016 0.000 3.464) 3.464 5.477 ( 1.462 0.000 -4.914) 5.126 5.486 ( 10.395 0.000 0.954) 10.439 5.590 ( -2.835 0.000 -1.352) 3.141 5.859 ( 0.902 0.000 -1.068) 1.398 5.930 ( -12.983 0.000 4.515) 13.746 6.048 ( 11.228 0.000 -1.904) 11.389 6.175 ( -5.704 0.000 1.503) 5.899 6.426 ( 14.722 0.000 0.866) 14.748 6.677 ( 15.492 0.000 -8.319) 17.584 6.747 ( -0.901 0.000 4.534) 4.623 6.789 ( 1.538 0.000 -3.738) 4.042 6.890 ( -16.968 0.000 10.379) 19.891 7.091 ( 6.514 0.000 -11.320) 13.061 7.299 ( -11.915 0.000 8.650) 14.724 7.533 ( 3.658 0.000 0.883) 3.763 7.552 ( -10.896 0.000 -2.649) 11.214 7.575 ( -13.159 0.000 2.693) 13.432 7.945 ( 15.310 0.000 -6.185) 16.512 8.624 ( -7.668 0.000 2.650) 8.113 8.901 ( -3.860 0.000 -3.122) 4.964 9.043 ( -8.362 0.000 11.325) 14.077 9.097 ( 15.006 0.000 -3.834) 15.488 9.370 ( 2.239 0.000 3.148) 3.863 9.459 ( 4.962 0.000 0.083) 4.963 9.565 ( -10.785 0.000 -1.507) 10.890 9.952 ( -0.253 0.000 -0.216) 0.333 11.238 ( -3.580 0.000 -0.375) 3.600 11.383 ( -4.438 0.000 0.446) 4.460 12.477 ( -1.298 0.000 0.475) 1.383 12.510 ( -1.864 0.000 0.225) 1.877 12.660 ( 0.362 0.000 0.460) 0.585 12.705 ( 0.351 0.000 -0.186) 0.397 12.997 ( -0.578 0.000 0.038) 0.579 13.020 ( -0.037 0.000 0.174) 0.178 13.338 ( 2.684 0.000 -0.087) 2.686 13.610 ( 2.583 0.000 -0.670) 2.668 14.308 ( 1.545 0.000 0.721) 1.705 14.345 ( 1.137 0.000 -0.531) 1.255 14.619 ( -0.971 0.000 1.879) 2.115 14.809 ( -2.512 0.000 -0.955) 2.687 15.331 ( 1.241 0.000 1.328) 1.818 15.412 ( -0.792 0.000 -0.509) 0.941 15.430 ( 2.470 0.000 -5.656) 6.172 15.476 ( -0.816 0.000 -0.607) 1.017 15.631 ( 2.175 0.000 -0.952) 2.374 15.796 ( 6.803 0.000 6.168) 9.182 15.921 ( 1.083 0.000 -0.127) 1.090 16.005 ( 2.509 0.000 1.432) 2.889 16.295 ( -5.168 0.000 -1.621) 5.417 16.373 ( -0.112 0.000 0.076) 0.135 16.663 ( -1.548 0.000 -1.801) 2.375 16.675 ( 2.739 0.000 -0.755) 2.842 19.694 ( -0.270 0.000 1.352) 1.379 19.746 ( 0.663 0.000 1.990) 2.098 19.780 ( 4.408 0.000 -9.431) 10.410 20.219 ( 4.414 0.000 2.625) 5.136 ======================= Grid point 3 (4/70) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 0.000 0.000 -0.000) 0.000 0.671 ( 0.000 0.000 0.000) 0.000 0.915 ( 0.000 0.000 -0.000) 0.000 0.984 ( 0.000 0.000 0.000) 0.000 0.995 ( 0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 0.000) 0.000 1.200 ( 0.000 0.000 0.000) 0.000 1.288 ( 0.000 0.000 -0.000) 0.000 1.320 ( 0.000 0.000 0.000) 0.000 1.344 ( 0.000 0.000 -0.000) 0.000 1.466 ( 0.000 0.000 -0.000) 0.000 1.506 ( 0.000 0.000 0.000) 0.000 1.551 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.731 ( 0.000 0.000 -0.000) 0.000 1.744 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 -0.000) 0.000 1.920 ( -0.000 0.000 0.000) 0.000 1.952 ( 0.000 0.000 0.000) 0.000 2.050 ( 0.000 0.000 -0.000) 0.000 2.147 ( 0.000 0.000 -0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.190 ( 0.000 0.000 -0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.296 ( -0.000 0.000 -0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.426 ( 0.000 0.000 0.000) 0.000 2.472 ( 0.000 0.000 -0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.557 ( -0.000 0.000 -0.000) 0.000 2.564 ( 0.000 0.000 -0.000) 0.000 2.583 ( -0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 -0.000) 0.000 2.705 ( -0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 -0.000) 0.000 2.889 ( -0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 -0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.165 ( 0.000 0.000 -0.000) 0.000 3.172 ( -0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.298 ( 0.000 0.000 0.000) 0.000 3.340 ( -0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.821 ( 0.000 0.000 -0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.355 ( 0.000 0.000 0.000) 0.000 4.388 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 -0.000) 0.000 4.577 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.417 ( 0.000 0.000 -0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.552 ( 0.000 0.000 0.000) 0.000 5.664 ( -0.000 0.000 -0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 6.125 ( 0.000 0.000 0.000) 0.000 6.156 ( 0.000 0.000 0.000) 0.000 6.598 ( 0.000 0.000 0.000) 0.000 6.751 ( 0.000 0.000 0.000) 0.000 6.756 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 -0.000) 0.000 6.824 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.214 ( 0.000 0.000 0.000) 0.000 7.432 ( 0.000 0.000 -0.000) 0.000 7.497 ( 0.000 0.000 0.000) 0.000 7.574 ( 0.000 0.000 -0.000) 0.000 8.062 ( 0.000 0.000 -0.000) 0.000 8.555 ( 0.000 0.000 0.000) 0.000 8.843 ( 0.000 0.000 0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.270 ( 0.000 0.000 0.000) 0.000 9.373 ( 0.000 0.000 0.000) 0.000 9.436 ( 0.000 0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 9.949 ( 0.000 0.000 0.000) 0.000 11.202 ( 0.000 0.000 0.000) 0.000 11.344 ( 0.000 0.000 0.000) 0.000 12.468 ( 0.000 0.000 -0.000) 0.000 12.495 ( 0.000 0.000 0.000) 0.000 12.665 ( 0.000 0.000 0.000) 0.000 12.707 ( 0.000 0.000 0.000) 0.000 12.992 ( 0.000 0.000 0.000) 0.000 13.020 ( 0.000 0.000 0.000) 0.000 13.362 ( 0.000 0.000 0.000) 0.000 13.631 ( 0.000 0.000 0.000) 0.000 14.326 ( 0.000 0.000 -0.000) 0.000 14.353 ( 0.000 0.000 0.000) 0.000 14.619 ( 0.000 0.000 0.000) 0.000 14.780 ( 0.000 0.000 0.000) 0.000 15.349 ( 0.000 0.000 0.000) 0.000 15.402 ( 0.000 0.000 0.000) 0.000 15.424 ( 0.000 0.000 -0.000) 0.000 15.464 ( 0.000 0.000 -0.000) 0.000 15.646 ( 0.000 0.000 0.000) 0.000 15.904 ( 0.000 0.000 -0.000) 0.000 15.931 ( 0.000 0.000 -0.000) 0.000 16.025 ( 0.000 0.000 0.000) 0.000 16.240 ( 0.000 0.000 0.000) 0.000 16.373 ( 0.000 0.000 0.000) 0.000 16.638 ( 0.000 0.000 0.000) 0.000 16.696 ( 0.000 0.000 0.000) 0.000 19.699 ( 0.000 0.000 0.000) 0.000 19.763 ( 0.000 0.000 -0.000) 0.000 19.770 ( 0.000 0.000 -0.000) 0.000 20.276 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/70) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( 0.000 14.688 0.000) 14.688 0.349 ( 0.000 16.922 0.000) 16.922 0.735 ( 0.000 35.554 0.000) 35.554 0.987 ( 0.000 1.626 0.000) 1.626 1.057 ( 0.000 -0.296 0.000) 0.296 1.106 ( 0.000 3.113 0.000) 3.113 1.243 ( 0.000 -2.620 0.000) 2.620 1.261 ( 0.000 4.206 0.000) 4.206 1.328 ( 0.000 3.636 0.000) 3.636 1.358 ( 0.000 -2.159 0.000) 2.159 1.488 ( 0.000 2.965 0.000) 2.965 1.527 ( 0.000 0.444 0.000) 0.444 1.537 ( 0.000 -4.127 0.000) 4.127 1.656 ( 0.000 3.790 0.000) 3.790 1.670 ( 0.000 1.221 0.000) 1.221 1.757 ( 0.000 -1.061 0.000) 1.061 1.797 ( 0.000 -0.188 0.000) 0.188 1.828 ( 0.000 -3.419 0.000) 3.419 1.919 ( 0.000 0.764 0.000) 0.764 1.955 ( 0.000 1.291 0.000) 1.291 2.016 ( 0.000 -0.665 0.000) 0.665 2.054 ( 0.000 -7.102 0.000) 7.102 2.113 ( 0.000 3.058 0.000) 3.058 2.142 ( 0.000 2.329 0.000) 2.329 2.178 ( 0.000 -1.384 0.000) 1.384 2.232 ( 0.000 -0.715 0.000) 0.715 2.313 ( 0.000 -0.140 0.000) 0.140 2.334 ( 0.000 -1.454 0.000) 1.454 2.371 ( 0.000 1.922 0.000) 1.922 2.440 ( 0.000 -0.094 0.000) 0.094 2.475 ( 0.000 -7.568 0.000) 7.568 2.521 ( 0.000 2.780 0.000) 2.780 2.593 ( 0.000 -2.001 0.000) 2.001 2.616 ( 0.000 0.805 0.000) 0.805 2.617 ( 0.000 -5.737 0.000) 5.737 2.642 ( 0.000 -0.850 0.000) 0.850 2.743 ( 0.000 1.267 0.000) 1.267 2.778 ( 0.000 -1.568 0.000) 1.568 2.837 ( 0.000 -1.822 0.000) 1.822 2.844 ( 0.000 -0.664 0.000) 0.664 2.924 ( 0.000 4.211 0.000) 4.211 2.950 ( 0.000 3.329 0.000) 3.329 2.978 ( 0.000 5.856 0.000) 5.856 3.022 ( 0.000 2.267 0.000) 2.267 3.054 ( 0.000 -1.397 0.000) 1.397 3.115 ( 0.000 2.734 0.000) 2.734 3.280 ( 0.000 -2.642 0.000) 2.642 3.362 ( 0.000 -3.170 0.000) 3.170 3.404 ( 0.000 -2.817 0.000) 2.817 3.695 ( 0.000 0.231 0.000) 0.231 3.707 ( 0.000 -0.772 0.000) 0.772 3.802 ( 0.000 -3.030 0.000) 3.030 4.097 ( 0.000 -3.141 0.000) 3.141 4.124 ( 0.000 0.901 0.000) 0.901 4.177 ( 0.000 -0.127 0.000) 0.127 4.215 ( 0.000 -0.494 0.000) 0.494 4.317 ( 0.000 2.958 0.000) 2.958 4.507 ( 0.000 1.885 0.000) 1.885 4.563 ( 0.000 -1.282 0.000) 1.282 4.689 ( 0.000 -1.658 0.000) 1.658 4.895 ( 0.000 -0.949 0.000) 0.949 4.967 ( 0.000 -9.685 0.000) 9.685 5.294 ( 0.000 -0.177 0.000) 0.177 5.392 ( 0.000 1.786 0.000) 1.786 5.502 ( 0.000 1.447 0.000) 1.447 5.637 ( 0.000 0.245 0.000) 0.245 5.637 ( 0.000 2.367 0.000) 2.367 5.784 ( 0.000 -5.487 0.000) 5.487 5.972 ( 0.000 -6.547 0.000) 6.547 6.086 ( 0.000 0.469 0.000) 0.469 6.139 ( 0.000 -3.279 0.000) 3.279 6.199 ( 0.000 0.564 0.000) 0.564 6.328 ( 0.000 -10.287 0.000) 10.287 6.775 ( 0.000 4.388 0.000) 4.388 6.806 ( 0.000 -6.908 0.000) 6.908 7.126 ( 0.000 4.153 0.000) 4.153 7.134 ( 0.000 -0.959 0.000) 0.959 7.310 ( 0.000 -0.166 0.000) 0.166 7.344 ( 0.000 0.829 0.000) 0.829 7.591 ( 0.000 4.573 0.000) 4.573 7.825 ( 0.000 -3.389 0.000) 3.389 7.934 ( 0.000 -8.788 0.000) 8.788 8.437 ( 0.000 6.225 0.000) 6.225 8.798 ( 0.000 1.112 0.000) 1.112 8.938 ( 0.000 -0.885 0.000) 0.885 9.110 ( 0.000 1.974 0.000) 1.974 9.279 ( 0.000 -3.988 0.000) 3.988 9.362 ( 0.000 4.031 0.000) 4.031 9.861 ( 0.000 3.283 0.000) 3.283 10.019 ( 0.000 4.480 0.000) 4.480 11.350 ( 0.000 0.606 0.000) 0.606 11.478 ( 0.000 -1.917 0.000) 1.917 12.519 ( 0.000 0.357 0.000) 0.357 12.553 ( 0.000 -1.460 0.000) 1.460 12.654 ( 0.000 2.064 0.000) 2.064 12.861 ( 0.000 -0.569 0.000) 0.569 13.014 ( 0.000 -0.312 0.000) 0.312 13.023 ( 0.000 0.546 0.000) 0.546 13.273 ( 0.000 1.979 0.000) 1.979 13.539 ( 0.000 0.318 0.000) 0.318 14.253 ( 0.000 -0.237 0.000) 0.237 14.305 ( 0.000 -1.602 0.000) 1.602 14.634 ( 0.000 2.485 0.000) 2.485 15.106 ( 0.000 -2.225 0.000) 2.225 15.146 ( 0.000 -2.455 0.000) 2.455 15.373 ( 0.000 -3.702 0.000) 3.702 15.464 ( 0.000 -0.687 0.000) 0.687 15.491 ( 0.000 0.562 0.000) 0.562 15.568 ( 0.000 3.222 0.000) 3.222 15.630 ( 0.000 -3.659 0.000) 3.659 15.905 ( 0.000 -0.046 0.000) 0.046 15.952 ( 0.000 3.581 0.000) 3.581 16.098 ( 0.000 7.946 0.000) 7.946 16.387 ( 0.000 1.035 0.000) 1.035 16.552 ( 0.000 -1.828 0.000) 1.828 17.133 ( 0.000 -4.770 0.000) 4.770 19.646 ( 0.000 -0.326 0.000) 0.326 19.682 ( 0.000 -0.157 0.000) 0.157 19.686 ( 0.000 -0.525 0.000) 0.525 20.052 ( 0.000 -3.754 0.000) 3.754 ======================= Grid point 8 (6/70) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 11.580 9.030 3.142) 15.017 0.457 ( 11.144 12.117 -0.293) 16.465 0.889 ( 10.733 22.518 6.147) 25.692 0.978 ( 2.543 1.759 -4.441) 5.411 1.003 ( -9.330 3.326 -0.607) 9.924 1.100 ( 1.858 3.391 0.649) 3.921 1.176 ( -1.850 -1.647 -2.819) 3.753 1.277 ( -4.392 3.055 0.118) 5.351 1.335 ( 5.430 3.559 -2.370) 6.912 1.367 ( -0.492 -1.521 1.747) 2.368 1.479 ( -2.691 1.312 -0.028) 2.994 1.512 ( 1.985 1.355 -2.416) 3.408 1.609 ( 3.400 -0.989 1.526) 3.855 1.641 ( -1.542 -1.001 -0.269) 1.858 1.683 ( 0.043 3.752 1.819) 4.170 1.754 ( -1.518 -1.846 2.239) 3.275 1.791 ( 0.025 1.288 -2.459) 2.776 1.832 ( 1.323 -1.560 -0.138) 2.050 1.852 ( -1.719 0.402 -1.802) 2.523 1.919 ( -5.744 -1.688 -1.471) 6.165 1.977 ( -1.198 3.314 -0.666) 3.587 2.039 ( 0.314 -1.802 2.443) 3.052 2.083 ( -2.744 1.316 -0.208) 3.050 2.174 ( -1.202 -1.676 0.742) 2.192 2.221 ( 3.746 -1.494 1.182) 4.203 2.258 ( -0.579 0.998 -1.023) 1.542 2.285 ( 0.089 0.255 -1.616) 1.638 2.337 ( 2.718 -0.941 2.905) 4.088 2.360 ( -2.202 1.092 -0.027) 2.458 2.427 ( -0.070 -2.910 -2.293) 3.705 2.486 ( 3.777 -4.337 2.970) 6.473 2.544 ( -0.495 -1.931 -2.924) 3.539 2.578 ( 0.929 -0.896 -1.699) 2.134 2.634 ( 1.888 1.706 3.890) 4.649 2.639 ( -2.009 -3.199 0.810) 3.863 2.700 ( 5.158 -2.476 -3.003) 6.461 2.739 ( -0.912 -3.135 -1.864) 3.759 2.778 ( 1.150 1.125 1.074) 1.934 2.844 ( 1.599 0.625 -2.817) 3.299 2.863 ( -0.319 1.389 1.214) 1.872 2.879 ( 1.415 0.180 -3.748) 4.010 2.922 ( -0.012 0.780 -4.947) 5.008 2.992 ( 1.124 2.514 0.323) 2.773 3.036 ( 3.205 6.720 1.630) 7.621 3.097 ( 2.511 -1.592 -3.015) 4.235 3.154 ( 1.230 1.258 5.434) 5.712 3.275 ( -0.909 -3.297 1.546) 3.754 3.370 ( -1.684 -2.715 1.930) 3.733 3.455 ( 7.239 -1.624 -3.387) 8.155 3.673 ( -2.168 -1.187 2.324) 3.393 3.732 ( 0.989 0.937 1.193) 1.811 3.799 ( 0.957 -1.768 -3.074) 3.673 4.118 ( 0.256 0.197 -0.182) 0.370 4.156 ( 4.352 -3.273 -1.130) 5.561 4.187 ( 2.522 -0.913 -2.198) 3.467 4.243 ( 1.384 -0.567 1.757) 2.307 4.340 ( 1.159 1.222 0.759) 1.847 4.462 ( -1.597 2.194 -3.093) 4.115 4.560 ( -1.050 -0.919 -0.007) 1.395 4.665 ( -2.909 -1.288 0.041) 3.182 4.850 ( -5.308 -0.889 -0.895) 5.456 4.886 ( -14.873 -4.998 10.736) 19.012 5.296 ( -1.681 -1.276 -0.979) 2.326 5.358 ( -4.977 1.763 2.296) 5.757 5.454 ( -0.758 7.513 -3.387) 8.276 5.501 ( -2.138 -0.718 -1.642) 2.790 5.692 ( -2.626 1.505 -3.188) 4.396 5.782 ( 3.110 -2.957 -3.621) 5.615 5.869 ( 2.449 -4.581 3.382) 6.199 6.056 ( -11.806 -3.262 6.818) 14.018 6.196 ( 8.449 -0.041 -0.595) 8.470 6.229 ( -1.832 -0.199 1.494) 2.372 6.373 ( 13.615 -9.739 -6.900) 18.106 6.747 ( 0.757 0.484 -2.427) 2.588 6.789 ( -1.756 -1.545 0.497) 2.391 7.051 ( -14.026 -2.228 10.743) 17.807 7.146 ( 3.310 4.927 -7.097) 9.252 7.346 ( -1.309 -0.354 6.953) 7.084 7.534 ( 1.582 3.651 -0.156) 3.982 7.619 ( 14.759 -5.837 -1.950) 15.991 7.722 ( -10.300 -2.651 -0.453) 10.646 7.812 ( -13.056 -5.172 1.639) 14.138 8.602 ( 4.990 -3.920 7.431) 9.772 8.804 ( 2.565 0.114 0.692) 2.659 9.002 ( -0.642 -1.052 2.478) 2.767 9.117 ( 2.277 0.385 -0.195) 2.318 9.287 ( 2.555 -0.692 -0.332) 2.668 9.402 ( 4.037 3.756 -0.040) 5.514 9.786 ( -9.423 3.959 1.260) 10.298 9.992 ( -1.889 3.387 1.011) 4.008 11.314 ( -3.340 0.704 -0.400) 3.437 11.454 ( -3.849 -1.194 1.462) 4.287 12.502 ( -1.083 0.345 -0.346) 1.188 12.555 ( -0.838 0.050 0.277) 0.884 12.654 ( 0.393 1.407 -0.279) 1.487 12.781 ( -4.726 3.706 -0.041) 6.006 13.014 ( -0.100 -0.217 0.095) 0.257 13.016 ( -0.683 0.531 0.133) 0.875 13.296 ( 2.890 1.366 -0.467) 3.230 13.564 ( 2.577 -0.274 -0.468) 2.634 14.268 ( 1.384 -0.281 0.584) 1.528 14.311 ( 0.949 -1.643 -0.567) 1.980 14.639 ( -1.021 2.192 2.387) 3.398 14.973 ( -7.665 5.186 -0.539) 9.271 15.241 ( 4.586 -4.647 1.190) 6.636 15.345 ( 3.549 -6.215 -8.412) 11.044 15.470 ( -0.140 2.700 -1.821) 3.260 15.510 ( 1.508 -1.611 2.535) 3.361 15.548 ( 2.596 2.006 0.646) 3.343 15.696 ( 4.972 0.774 -4.967) 7.070 15.931 ( 0.392 3.316 0.372) 3.360 15.952 ( 4.566 0.354 -1.245) 4.746 16.217 ( -1.564 -4.779 11.546) 12.593 16.398 ( 0.400 2.093 1.787) 2.781 16.600 ( 4.140 -2.041 -0.667) 4.664 16.892 ( -10.662 5.173 -10.356) 15.738 19.677 ( 1.285 -0.976 -1.952) 2.532 19.700 ( 0.721 -1.159 2.085) 2.492 19.724 ( 7.440 -3.396 -7.191) 10.890 20.077 ( 3.102 -4.006 0.507) 5.092 ======================= Grid point 9 (7/70) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 11.282 7.187 -2.405) 13.591 0.684 ( 6.182 5.755 4.669) 9.651 0.744 ( -4.847 3.173 -9.856) 11.433 1.012 ( 4.795 1.842 -0.846) 5.206 1.094 ( -0.641 0.257 5.732) 5.773 1.137 ( -2.887 6.543 0.388) 7.162 1.183 ( 4.997 2.768 0.341) 5.723 1.255 ( 0.744 6.599 4.309) 7.917 1.350 ( -2.856 2.403 -0.973) 3.858 1.364 ( -0.685 1.497 1.571) 2.276 1.442 ( 1.719 -1.104 0.577) 2.123 1.517 ( 1.571 2.415 -1.587) 3.289 1.613 ( -1.940 0.719 -1.211) 2.397 1.646 ( -1.237 3.060 0.595) 3.354 1.685 ( -0.724 1.028 2.157) 2.497 1.732 ( -1.065 5.258 -2.724) 6.016 1.755 ( -2.770 -1.259 -0.380) 3.066 1.789 ( -0.753 -0.655 -4.325) 4.439 1.879 ( 3.259 -0.366 -1.957) 3.819 1.915 ( 2.547 -1.354 6.729) 7.321 1.954 ( -2.310 2.865 2.010) 4.194 2.017 ( -2.471 0.239 -1.405) 2.852 2.080 ( 3.065 -2.125 0.630) 3.783 2.166 ( 0.241 -0.017 0.190) 0.307 2.220 ( 0.074 0.125 -2.921) 2.925 2.255 ( -0.541 0.181 2.467) 2.532 2.304 ( -0.790 -1.368 1.146) 1.952 2.338 ( -0.055 -0.548 -0.592) 0.809 2.432 ( 0.038 1.116 2.098) 2.377 2.443 ( -0.494 -3.830 -2.363) 4.527 2.473 ( 4.765 -0.625 0.088) 4.807 2.560 ( -0.003 -3.126 -0.288) 3.139 2.585 ( -2.170 -1.076 -2.891) 3.771 2.607 ( 1.497 -3.600 2.880) 4.848 2.666 ( -1.533 -0.102 -0.815) 1.740 2.684 ( -0.247 2.447 0.300) 2.478 2.705 ( -1.767 0.758 -5.395) 5.728 2.800 ( -0.445 -0.983 0.785) 1.334 2.807 ( 2.064 -1.760 -5.184) 5.850 2.882 ( 1.105 -0.776 -2.137) 2.528 2.896 ( 5.365 -1.498 1.248) 5.709 2.968 ( 2.878 -0.575 -0.046) 2.935 3.015 ( 1.919 2.861 -0.536) 3.486 3.073 ( -1.461 0.558 2.491) 2.941 3.157 ( 7.632 2.869 -3.771) 8.983 3.210 ( 0.038 0.694 3.511) 3.580 3.283 ( -0.740 -2.649 2.839) 3.952 3.349 ( -2.356 -1.042 1.670) 3.071 3.516 ( 3.809 -2.686 -4.108) 6.213 3.644 ( -6.173 -3.660 3.748) 8.096 3.782 ( 3.724 2.225 2.191) 4.860 3.803 ( 2.596 3.176 -1.628) 4.413 4.126 ( 1.618 -0.922 -1.630) 2.475 4.182 ( 0.417 -2.456 -2.433) 3.482 4.233 ( 3.003 -2.450 0.326) 3.889 4.275 ( 2.434 0.315 -1.263) 2.761 4.353 ( 0.067 1.168 0.167) 1.182 4.424 ( -0.341 1.695 -0.589) 1.826 4.537 ( -0.880 0.196 -0.584) 1.074 4.593 ( -7.229 -0.980 3.415) 8.055 4.689 ( -11.038 2.264 0.888) 11.303 4.733 ( -9.289 -1.126 2.572) 9.704 5.199 ( -3.908 0.377 -0.150) 3.929 5.383 ( -0.657 -1.101 2.128) 2.484 5.459 ( 3.501 -1.103 -1.895) 4.131 5.504 ( 5.751 1.883 -1.206) 6.171 5.632 ( -1.590 2.676 -2.313) 3.878 5.769 ( -1.493 -8.086 0.844) 8.266 5.892 ( -11.246 -3.717 3.575) 12.372 6.038 ( 9.877 -1.246 -1.108) 10.017 6.122 ( -4.862 -4.639 -0.918) 6.782 6.423 ( 13.270 -0.950 0.251) 13.306 6.585 ( 14.911 -6.211 -5.206) 16.971 6.710 ( -6.063 -5.040 9.235) 12.143 6.809 ( 6.303 1.264 -8.111) 10.350 6.863 ( -15.137 -2.747 9.086) 17.867 7.132 ( 0.340 2.170 -11.648) 11.853 7.311 ( -10.612 0.059 6.646) 12.522 7.525 ( -2.809 1.405 1.374) 3.428 7.550 ( -9.193 -1.915 1.538) 9.516 7.604 ( -2.558 4.741 -0.076) 5.387 7.881 ( 13.605 -6.116 -4.113) 15.473 8.621 ( -4.579 0.394 2.156) 5.077 8.910 ( -1.132 0.549 -1.109) 1.677 8.964 ( 3.252 -3.856 3.897) 6.375 9.180 ( 4.596 3.035 -0.644) 5.545 9.350 ( 3.819 -0.359 -0.357) 3.852 9.449 ( -1.101 1.236 -0.456) 1.717 9.632 ( -6.772 6.400 1.333) 9.413 9.979 ( -0.845 1.188 0.661) 1.601 11.252 ( -2.781 1.329 -0.487) 3.120 11.388 ( -4.486 0.046 0.974) 4.590 12.487 ( -0.084 1.107 -0.522) 1.227 12.528 ( -2.168 1.636 0.545) 2.771 12.663 ( 0.691 0.487 -0.123) 0.854 12.734 ( -1.462 2.104 0.244) 2.573 13.004 ( -0.514 0.720 -0.010) 0.885 13.016 ( -0.043 -0.313 0.214) 0.381 13.345 ( 2.741 0.693 -0.401) 2.855 13.603 ( 1.993 -0.777 -0.074) 2.141 14.302 ( 1.468 -0.474 0.696) 1.692 14.323 ( 1.031 -1.748 -0.627) 2.124 14.643 ( -0.733 2.066 1.454) 2.630 14.861 ( -4.166 3.596 -1.188) 5.630 15.308 ( 2.328 -3.379 0.206) 4.108 15.335 ( 1.397 -4.702 -2.644) 5.572 15.442 ( -0.864 2.687 -0.824) 2.940 15.547 ( 0.596 2.167 0.605) 2.328 15.636 ( 3.230 -0.856 2.458) 4.148 15.724 ( 3.492 -3.355 -2.516) 5.457 15.949 ( 1.415 5.407 0.224) 5.593 16.037 ( 5.022 0.357 -0.683) 5.081 16.244 ( -2.959 -4.424 5.438) 7.609 16.420 ( -2.334 1.203 5.065) 5.705 16.562 ( -2.814 -0.434 -8.115) 8.600 16.765 ( 1.443 2.122 -1.347) 2.898 19.680 ( 0.346 -1.226 -0.202) 1.290 19.730 ( 0.341 -1.523 1.976) 2.518 19.751 ( 3.429 -2.350 -5.411) 6.823 20.154 ( 3.508 -6.221 1.797) 7.365 ======================= Grid point 10 (8/70) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 0.000 8.361 -0.000) 8.361 0.737 ( 0.000 6.211 0.000) 6.211 0.862 ( 0.000 -2.835 0.000) 2.835 1.050 ( 0.000 7.559 0.000) 7.559 1.087 ( 0.000 4.233 0.000) 4.233 1.127 ( 0.000 1.278 0.000) 1.278 1.214 ( 0.000 3.707 -0.000) 3.707 1.230 ( 0.000 -2.663 0.000) 2.663 1.325 ( 0.000 -1.337 -0.000) 1.337 1.426 ( 0.000 2.919 0.000) 2.919 1.498 ( 0.000 0.985 0.000) 0.985 1.513 ( 0.000 5.043 -0.000) 5.043 1.543 ( 0.000 3.830 0.000) 3.830 1.623 ( 0.000 2.913 0.000) 2.913 1.683 ( 0.000 0.812 0.000) 0.812 1.715 ( 0.000 -1.331 0.000) 1.331 1.721 ( 0.000 3.503 -0.000) 3.503 1.784 ( 0.000 1.723 0.000) 1.723 1.908 ( 0.000 -0.540 -0.000) 0.540 1.929 ( -0.000 2.643 0.000) 2.643 1.984 ( 0.000 2.980 0.000) 2.980 2.005 ( 0.000 -3.723 0.000) 3.723 2.133 ( 0.000 -1.478 -0.000) 1.478 2.191 ( -0.000 0.104 -0.000) 0.104 2.195 ( 0.000 0.356 0.000) 0.356 2.245 ( 0.000 -2.669 -0.000) 2.669 2.291 ( 0.000 -0.482 0.000) 0.482 2.326 ( 0.000 2.994 0.000) 2.994 2.394 ( 0.000 -3.590 0.000) 3.590 2.463 ( 0.000 -0.647 -0.000) 0.647 2.525 ( 0.000 -2.407 -0.000) 2.407 2.556 ( 0.000 1.245 0.000) 1.245 2.582 ( -0.000 -2.647 -0.000) 2.647 2.587 ( 0.000 1.317 0.000) 1.317 2.630 ( 0.000 3.577 0.000) 3.577 2.676 ( 0.000 -3.066 -0.000) 3.066 2.687 ( 0.000 0.130 0.000) 0.130 2.796 ( 0.000 -1.182 0.000) 1.182 2.816 ( 0.000 -3.494 0.000) 3.494 2.872 ( 0.000 -0.081 0.000) 0.081 2.978 ( 0.000 0.729 -0.000) 0.729 2.988 ( 0.000 -3.591 0.000) 3.591 3.039 ( 0.000 6.809 0.000) 6.809 3.051 ( -0.000 -7.422 0.000) 7.422 3.220 ( -0.000 5.611 0.000) 5.611 3.220 ( 0.000 -0.855 -0.000) 0.855 3.296 ( 0.000 -0.599 -0.000) 0.599 3.335 ( -0.000 -1.024 0.000) 1.024 3.527 ( 0.000 -2.883 -0.000) 2.883 3.589 ( 0.000 -3.998 0.000) 3.998 3.821 ( 0.000 4.621 0.000) 4.621 3.850 ( 0.000 2.217 -0.000) 2.217 4.122 ( 0.000 -5.082 0.000) 5.082 4.163 ( 0.000 -0.565 0.000) 0.565 4.273 ( 0.000 1.846 -0.000) 1.846 4.288 ( 0.000 -4.091 0.000) 4.091 4.371 ( 0.000 5.127 -0.000) 5.127 4.414 ( 0.000 -0.058 0.000) 0.058 4.526 ( -0.000 1.239 0.000) 1.239 4.540 ( 0.000 1.900 -0.000) 1.900 4.571 ( 0.000 -0.339 0.000) 0.339 4.661 ( 0.000 0.126 0.000) 0.126 5.169 ( 0.000 -0.253 0.000) 0.253 5.377 ( 0.000 -2.161 -0.000) 2.161 5.477 ( 0.000 0.946 0.000) 0.946 5.600 ( 0.000 2.661 -0.000) 2.661 5.663 ( -0.000 -0.010 0.000) 0.010 5.684 ( 0.000 -6.040 -0.000) 6.040 5.793 ( 0.000 -7.019 0.000) 7.019 6.071 ( 0.000 -5.201 0.000) 5.201 6.139 ( 0.000 -1.806 -0.000) 1.806 6.544 ( 0.000 -4.932 -0.000) 4.932 6.693 ( 0.000 -6.263 0.000) 6.263 6.757 ( 0.000 -0.124 0.000) 0.124 6.765 ( 0.000 0.140 0.000) 0.140 6.885 ( 0.000 2.426 -0.000) 2.426 6.955 ( 0.000 -6.816 0.000) 6.816 7.215 ( 0.000 -1.397 0.000) 1.397 7.465 ( 0.000 0.523 0.000) 0.523 7.528 ( 0.000 6.580 0.000) 6.580 7.609 ( 0.000 3.389 -0.000) 3.389 7.988 ( 0.000 -6.896 -0.000) 6.896 8.581 ( 0.000 2.300 0.000) 2.300 8.859 ( 0.000 0.457 0.000) 0.457 9.046 ( 0.000 1.501 0.000) 1.501 9.253 ( 0.000 -3.669 -0.000) 3.669 9.364 ( -0.000 1.715 0.000) 1.715 9.387 ( 0.000 1.119 -0.000) 1.119 9.606 ( 0.000 7.497 0.000) 7.497 9.975 ( 0.000 0.292 0.000) 0.292 11.225 ( 0.000 2.017 -0.000) 2.017 11.349 ( 0.000 0.289 0.000) 0.289 12.487 ( 0.000 1.965 0.000) 1.965 12.508 ( 0.000 1.348 -0.000) 1.348 12.669 ( 0.000 0.401 0.000) 0.401 12.723 ( 0.000 1.280 -0.000) 1.280 13.000 ( 0.000 0.748 0.000) 0.748 13.017 ( 0.000 -0.303 0.000) 0.303 13.368 ( 0.000 0.591 0.000) 0.591 13.621 ( 0.000 -1.044 0.000) 1.044 14.321 ( 0.000 -0.444 0.000) 0.444 14.329 ( 0.000 -1.972 -0.000) 1.972 14.644 ( 0.000 2.020 0.000) 2.020 14.818 ( 0.000 2.751 0.000) 2.751 15.323 ( 0.000 -5.322 -0.000) 5.322 15.340 ( 0.000 -1.599 0.000) 1.599 15.430 ( 0.000 2.595 -0.000) 2.595 15.554 ( 0.000 3.464 0.000) 3.464 15.669 ( 0.000 2.664 0.000) 2.664 15.753 ( 0.000 -10.376 0.000) 10.376 15.969 ( 0.000 6.559 0.000) 6.559 16.075 ( 0.000 1.177 0.000) 1.177 16.253 ( 0.000 1.898 0.000) 1.898 16.414 ( 0.000 -14.545 -0.000) 14.545 16.490 ( 0.000 8.517 0.000) 8.517 16.780 ( 0.000 1.636 0.000) 1.636 19.683 ( 0.000 -1.457 0.000) 1.457 19.743 ( 0.000 -1.790 -0.000) 1.790 19.752 ( 0.000 -1.661 -0.000) 1.661 20.198 ( 0.000 -7.346 0.000) 7.346 ======================= Grid point 14 (9/70) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.000 11.993 0.000) 11.993 0.639 ( 0.000 12.429 0.000) 12.429 1.016 ( 0.000 0.204 0.000) 0.204 1.066 ( 0.000 1.891 0.000) 1.891 1.123 ( 0.000 0.947 0.000) 0.947 1.203 ( 0.000 0.076 0.000) 0.076 1.299 ( 0.000 8.812 0.000) 8.812 1.345 ( 0.000 0.779 0.000) 0.779 1.360 ( 0.000 4.981 0.000) 4.981 1.370 ( 0.000 6.038 0.000) 6.038 1.504 ( 0.000 -1.265 0.000) 1.265 1.521 ( 0.000 0.308 0.000) 0.308 1.568 ( 0.000 2.438 0.000) 2.438 1.700 ( 0.000 2.204 0.000) 2.204 1.728 ( 0.000 4.373 0.000) 4.373 1.758 ( 0.000 8.890 0.000) 8.890 1.792 ( 0.000 0.079 0.000) 0.079 1.835 ( 0.000 1.271 0.000) 1.271 1.912 ( 0.000 -4.171 0.000) 4.171 1.941 ( 0.000 -1.565 0.000) 1.565 1.965 ( 0.000 1.321 0.000) 1.321 1.999 ( 0.000 -0.951 0.000) 0.951 2.123 ( 0.000 -3.008 0.000) 3.008 2.130 ( 0.000 -2.447 0.000) 2.447 2.199 ( 0.000 2.398 0.000) 2.398 2.238 ( 0.000 0.094 0.000) 0.094 2.304 ( 0.000 2.141 0.000) 2.141 2.338 ( 0.000 -5.165 0.000) 5.165 2.357 ( 0.000 2.021 0.000) 2.021 2.369 ( 0.000 -2.258 0.000) 2.258 2.432 ( 0.000 -0.508 0.000) 0.508 2.523 ( 0.000 -2.794 0.000) 2.794 2.529 ( 0.000 -0.710 0.000) 0.710 2.576 ( 0.000 -0.005 0.000) 0.005 2.623 ( 0.000 -2.101 0.000) 2.101 2.660 ( 0.000 2.925 0.000) 2.925 2.742 ( 0.000 -1.033 0.000) 1.033 2.758 ( 0.000 -2.002 0.000) 2.002 2.805 ( 0.000 -3.036 0.000) 3.036 2.838 ( 0.000 2.458 0.000) 2.458 2.944 ( 0.000 -2.022 0.000) 2.022 2.970 ( 0.000 -1.027 0.000) 1.027 3.048 ( 0.000 2.049 0.000) 2.049 3.063 ( 0.000 1.667 0.000) 1.667 3.095 ( 0.000 4.124 0.000) 4.124 3.135 ( 0.000 -2.158 0.000) 2.158 3.256 ( 0.000 -0.399 0.000) 0.399 3.320 ( 0.000 0.505 0.000) 0.505 3.395 ( 0.000 3.709 0.000) 3.709 3.684 ( 0.000 -1.577 0.000) 1.577 3.693 ( 0.000 -0.923 0.000) 0.923 3.710 ( 0.000 -6.472 0.000) 6.472 4.047 ( 0.000 -1.627 0.000) 1.627 4.098 ( 0.000 -2.312 0.000) 2.312 4.208 ( 0.000 0.014 0.000) 0.014 4.214 ( 0.000 2.551 0.000) 2.551 4.367 ( 0.000 2.238 0.000) 2.238 4.534 ( 0.000 -1.422 0.000) 1.422 4.563 ( 0.000 3.607 0.000) 3.607 4.646 ( 0.000 -2.491 0.000) 2.491 4.775 ( 0.000 -8.671 0.000) 8.671 4.879 ( 0.000 -1.612 0.000) 1.612 5.286 ( 0.000 -0.787 0.000) 0.787 5.371 ( 0.000 -2.627 0.000) 2.627 5.522 ( 0.000 -0.833 0.000) 0.833 5.625 ( 0.000 -5.986 0.000) 5.986 5.657 ( 0.000 -2.376 0.000) 2.376 5.678 ( 0.000 -0.031 0.000) 0.031 5.802 ( 0.000 -8.603 0.000) 8.603 6.002 ( 0.000 -7.814 0.000) 7.814 6.100 ( 0.000 -5.659 0.000) 5.659 6.134 ( 0.000 1.320 0.000) 1.320 6.291 ( 0.000 2.682 0.000) 2.682 6.645 ( 0.000 -8.908 0.000) 8.908 6.842 ( 0.000 2.682 0.000) 2.682 7.087 ( 0.000 -3.574 0.000) 3.574 7.216 ( 0.000 4.570 0.000) 4.570 7.311 ( 0.000 0.239 0.000) 0.239 7.355 ( 0.000 0.596 0.000) 0.596 7.699 ( 0.000 5.636 0.000) 5.636 7.744 ( 0.000 -8.495 0.000) 8.495 7.783 ( 0.000 -1.844 0.000) 1.844 8.564 ( 0.000 6.474 0.000) 6.474 8.819 ( 0.000 1.006 0.000) 1.006 8.913 ( 0.000 -1.498 0.000) 1.498 9.065 ( 0.000 -6.313 0.000) 6.313 9.310 ( 0.000 6.977 0.000) 6.977 9.465 ( 0.000 5.940 0.000) 5.940 9.933 ( 0.000 3.589 0.000) 3.589 10.088 ( 0.000 1.878 0.000) 1.878 11.362 ( 0.000 0.577 0.000) 0.577 11.437 ( 0.000 -2.083 0.000) 2.083 12.530 ( 0.000 0.721 0.000) 0.721 12.534 ( 0.000 -0.351 0.000) 0.351 12.696 ( 0.000 2.199 0.000) 2.199 12.845 ( 0.000 -1.147 0.000) 1.147 13.010 ( 0.000 -0.080 0.000) 0.080 13.035 ( 0.000 0.499 0.000) 0.499 13.325 ( 0.000 3.305 0.000) 3.305 13.536 ( 0.000 -0.727 0.000) 0.727 14.248 ( 0.000 -0.218 0.000) 0.218 14.274 ( 0.000 -1.346 0.000) 1.346 14.683 ( 0.000 2.382 0.000) 2.382 15.053 ( 0.000 -2.982 0.000) 2.982 15.089 ( 0.000 -3.128 0.000) 3.128 15.215 ( 0.000 -10.672 0.000) 10.672 15.478 ( 0.000 1.682 0.000) 1.682 15.511 ( 0.000 1.156 0.000) 1.156 15.606 ( 0.000 0.047 0.000) 0.047 15.611 ( 0.000 1.027 0.000) 1.027 15.924 ( 0.000 1.956 0.000) 1.956 16.002 ( 0.000 1.571 0.000) 1.571 16.296 ( 0.000 11.682 0.000) 11.682 16.410 ( 0.000 1.258 0.000) 1.258 16.511 ( 0.000 -2.109 0.000) 2.109 17.017 ( 0.000 -6.783 0.000) 6.783 19.639 ( 0.000 -0.312 0.000) 0.312 19.674 ( 0.000 -0.605 0.000) 0.605 19.679 ( 0.000 0.052 0.000) 0.052 19.957 ( 0.000 -5.719 0.000) 5.719 ======================= Grid point 15 (10/70) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 5.595 9.514 2.717) 11.367 0.697 ( 6.302 11.320 0.348) 12.960 1.006 ( 0.086 0.452 -2.874) 2.910 1.054 ( 2.289 1.182 -2.485) 3.580 1.075 ( -7.359 4.039 -5.593) 10.087 1.147 ( 0.617 0.551 0.342) 0.895 1.280 ( -3.695 -1.783 0.410) 4.123 1.357 ( -0.107 1.638 2.455) 2.953 1.391 ( 5.324 9.148 -1.015) 10.633 1.444 ( 1.481 4.522 4.697) 6.687 1.509 ( 0.189 3.907 -0.189) 3.917 1.561 ( 1.413 -0.407 1.260) 1.936 1.591 ( 2.038 0.346 3.564) 4.120 1.657 ( -2.860 3.018 -1.989) 4.609 1.710 ( -2.012 1.208 -1.431) 2.748 1.735 ( 0.353 6.917 -3.379) 7.706 1.801 ( 0.671 0.854 2.527) 2.750 1.846 ( 0.311 1.371 0.371) 1.454 1.886 ( -0.618 0.562 -0.777) 1.141 1.920 ( -2.463 2.156 2.011) 3.842 1.992 ( -0.780 -3.695 -1.837) 4.200 2.001 ( 1.641 0.094 1.449) 2.192 2.100 ( 1.618 -0.764 1.909) 2.617 2.146 ( -1.421 0.499 -0.560) 1.607 2.196 ( -1.263 -0.486 -0.983) 1.672 2.266 ( -1.260 -1.349 -0.254) 1.863 2.281 ( 1.180 -2.954 0.656) 3.248 2.337 ( 0.509 2.610 -1.715) 3.165 2.366 ( 3.803 0.012 -0.004) 3.803 2.396 ( -1.340 0.341 0.665) 1.534 2.414 ( 1.335 -1.355 2.461) 3.110 2.500 ( -0.295 -1.730 -1.883) 2.574 2.549 ( 1.567 -2.800 -4.001) 5.129 2.569 ( 0.067 -1.398 1.967) 2.414 2.639 ( 1.009 -2.962 -2.620) 4.081 2.683 ( 1.160 1.104 2.083) 2.627 2.739 ( -1.563 1.184 0.859) 2.141 2.801 ( 1.631 0.487 3.008) 3.456 2.830 ( 2.177 -1.922 -1.742) 3.387 2.843 ( 1.522 -0.118 0.054) 1.528 2.905 ( -2.188 -1.136 -1.648) 2.966 2.963 ( 0.384 1.131 -2.313) 2.603 2.995 ( 1.933 1.803 -7.430) 7.886 3.078 ( 0.579 -1.090 -0.625) 1.384 3.122 ( 1.492 1.874 1.085) 2.630 3.153 ( 1.518 -3.302 1.581) 3.963 3.273 ( 0.033 3.013 3.517) 4.631 3.327 ( -0.752 0.308 3.072) 3.177 3.441 ( 4.626 0.733 -3.010) 5.568 3.625 ( -5.068 -4.816 2.829) 7.542 3.733 ( 4.116 -0.042 0.098) 4.117 3.777 ( 4.897 -0.403 -0.171) 4.916 4.076 ( 1.926 -2.834 -0.993) 3.568 4.102 ( 1.877 -2.688 0.572) 3.329 4.199 ( 0.328 1.466 -1.936) 2.450 4.247 ( 1.726 0.882 1.777) 2.630 4.369 ( 0.384 1.568 -0.412) 1.666 4.498 ( -2.606 1.241 -4.452) 5.306 4.530 ( -0.833 -1.700 0.249) 1.909 4.632 ( -1.323 -2.015 -0.379) 2.440 4.771 ( -5.468 -4.523 6.150) 9.391 4.847 ( -3.758 -0.760 -0.837) 3.925 5.261 ( -2.173 -2.131 -0.461) 3.078 5.365 ( -2.084 -0.485 1.648) 2.701 5.490 ( -3.991 -0.475 -0.558) 4.058 5.547 ( -2.152 -1.485 -1.200) 2.877 5.605 ( -2.947 -7.767 0.814) 8.347 5.703 ( -4.412 -3.390 -2.715) 6.191 5.832 ( 10.585 -0.306 -2.278) 10.831 5.976 ( -9.083 -4.343 6.537) 12.004 6.139 ( 4.589 -7.221 -6.328) 10.641 6.199 ( 5.328 0.289 -1.317) 5.496 6.284 ( 5.793 -0.136 1.766) 6.058 6.617 ( -7.017 -9.424 5.952) 13.171 6.816 ( 2.480 1.015 -7.525) 7.988 6.977 ( -15.526 -3.875 9.617) 18.670 7.236 ( 4.280 3.435 -4.051) 6.822 7.346 ( -0.703 0.402 3.047) 3.153 7.516 ( 12.217 -3.773 -0.440) 12.794 7.629 ( -1.232 2.789 -2.965) 4.253 7.674 ( -9.156 -1.772 0.763) 9.357 7.743 ( -4.216 0.159 1.393) 4.443 8.623 ( 4.386 3.905 1.159) 5.986 8.818 ( 1.084 0.931 0.424) 1.490 8.951 ( -1.381 -3.556 2.040) 4.326 9.072 ( 7.107 -4.483 -5.099) 9.829 9.348 ( 3.801 6.939 0.119) 7.912 9.505 ( 3.798 6.197 -0.252) 7.273 9.874 ( -8.045 4.402 2.661) 9.549 10.043 ( -4.577 1.102 0.522) 4.736 11.331 ( -2.812 0.879 -0.431) 2.977 11.422 ( -2.589 -1.850 1.253) 3.420 12.516 ( 0.265 1.034 -1.206) 1.611 12.556 ( 0.651 0.206 0.936) 1.158 12.689 ( -0.738 2.007 0.030) 2.139 12.812 ( -2.974 0.083 -0.246) 2.986 13.010 ( -0.080 -0.084 0.196) 0.228 13.029 ( -0.496 0.587 -0.094) 0.774 13.337 ( 1.777 2.710 -0.728) 3.322 13.551 ( 1.212 -1.144 0.546) 1.754 14.263 ( 1.325 -0.240 0.450) 1.420 14.281 ( 1.066 -1.217 -0.612) 1.730 14.683 ( -0.705 2.134 1.226) 2.560 15.004 ( -5.482 -1.468 -0.852) 5.739 15.137 ( 4.261 -5.073 0.936) 6.691 15.211 ( 3.455 -7.467 -4.073) 9.180 15.495 ( 0.649 0.465 2.092) 2.239 15.519 ( -0.216 1.374 -1.139) 1.798 15.596 ( 1.838 2.237 0.360) 2.917 15.656 ( 3.298 -2.913 -1.276) 4.582 15.949 ( 2.748 1.627 0.389) 3.218 16.020 ( 2.108 2.560 -0.156) 3.320 16.262 ( -4.947 6.958 2.908) 9.020 16.446 ( 0.055 2.936 4.805) 5.632 16.556 ( 4.124 -2.267 -0.277) 4.714 16.899 ( -7.061 -2.824 -7.015) 10.346 19.651 ( 2.782 -1.223 -3.836) 4.893 19.677 ( -0.830 -0.930 2.801) 3.066 19.693 ( 1.237 -0.635 0.016) 1.391 19.970 ( 1.550 -6.358 0.145) 6.546 ======================= Grid point 16 (11/70) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 7.095 5.509 1.502) 9.107 0.830 ( 6.693 9.102 0.692) 11.319 0.840 ( -6.885 5.271 -7.934) 11.753 1.038 ( 2.833 0.768 -0.745) 3.028 1.104 ( 3.091 0.427 1.884) 3.645 1.153 ( 0.221 -0.644 -0.736) 1.002 1.226 ( -1.997 0.724 -0.253) 2.139 1.369 ( -2.170 0.474 2.702) 3.498 1.424 ( -3.496 3.162 -0.211) 4.719 1.448 ( -0.937 5.569 -1.433) 5.826 1.520 ( 0.879 11.210 4.520) 12.119 1.601 ( 1.327 0.965 -2.342) 2.860 1.639 ( 2.947 4.772 3.190) 6.452 1.647 ( -0.776 -2.493 4.841) 5.501 1.671 ( 0.760 -0.061 -4.285) 4.353 1.726 ( 0.052 -1.427 -0.916) 1.697 1.806 ( -3.873 1.997 -2.054) 4.817 1.847 ( 0.675 3.986 -2.093) 4.553 1.884 ( 2.051 -0.042 2.115) 2.946 1.919 ( 0.680 3.057 0.812) 3.236 1.981 ( -2.104 -0.723 0.596) 2.303 2.039 ( 1.791 -0.091 1.845) 2.573 2.077 ( 0.130 4.100 1.030) 4.229 2.142 ( -1.501 -1.877 1.554) 2.862 2.230 ( 4.981 1.092 -1.967) 5.466 2.250 ( -2.794 -4.702 -0.781) 5.525 2.260 ( 0.337 1.406 1.528) 2.104 2.355 ( 0.550 -0.020 -3.158) 3.205 2.386 ( -0.271 0.097 0.962) 1.005 2.436 ( 2.580 -0.945 -2.762) 3.896 2.461 ( 1.721 -1.493 3.655) 4.307 2.508 ( 0.611 -1.185 0.809) 1.560 2.517 ( 0.778 -2.230 0.254) 2.375 2.590 ( 0.383 -0.228 2.110) 2.157 2.660 ( -0.162 -0.513 -1.209) 1.323 2.680 ( 2.105 -0.870 -2.786) 3.599 2.717 ( -0.575 1.176 -1.191) 1.770 2.782 ( -1.228 0.295 -4.067) 4.259 2.839 ( 0.687 -2.346 -0.058) 2.445 2.865 ( -0.573 -0.290 -1.917) 2.022 2.885 ( -0.792 -1.048 0.900) 1.592 2.938 ( 0.704 4.078 -2.170) 4.673 2.995 ( 1.554 -2.093 -1.213) 2.875 3.087 ( 2.502 -2.268 -1.254) 3.603 3.168 ( 1.033 -1.439 1.993) 2.666 3.205 ( 3.405 -3.585 0.052) 4.945 3.311 ( -0.581 0.539 2.159) 2.300 3.342 ( 0.085 5.174 1.692) 5.444 3.464 ( 1.631 -2.593 -1.711) 3.509 3.571 ( -4.370 -2.558 2.858) 5.815 3.820 ( 4.679 1.424 0.817) 4.959 3.859 ( 3.655 2.105 1.109) 4.361 4.070 ( -0.012 -3.444 -2.682) 4.365 4.164 ( 1.908 -1.832 1.445) 3.014 4.185 ( 0.967 -0.267 -1.819) 2.077 4.285 ( 2.370 0.615 -1.361) 2.801 4.373 ( 0.756 0.967 -0.071) 1.229 4.449 ( 0.327 0.500 -0.459) 0.754 4.520 ( -0.562 -1.288 0.428) 1.469 4.595 ( -2.658 0.273 0.393) 2.700 4.696 ( -7.833 -1.738 2.857) 8.517 4.730 ( -8.256 1.228 -0.362) 8.354 5.197 ( -3.365 -0.682 -0.585) 3.483 5.368 ( -0.225 -0.506 1.265) 1.381 5.442 ( 0.577 -0.764 0.102) 0.963 5.537 ( 2.175 0.296 -2.328) 3.200 5.572 ( -1.896 -11.365 2.146) 11.720 5.655 ( 1.063 -0.651 -3.874) 4.070 5.826 ( -11.527 -1.914 5.187) 12.784 5.995 ( 4.555 -3.419 -1.356) 5.855 6.034 ( -1.758 -2.810 -3.611) 4.902 6.377 ( 12.138 -3.087 -0.741) 12.546 6.478 ( 8.314 -5.137 -0.368) 9.780 6.566 ( -0.855 -9.944 7.415) 12.433 6.784 ( -2.224 -2.565 -2.048) 3.965 6.834 ( -5.115 -0.037 2.172) 5.557 7.144 ( -8.544 0.118 -8.180) 11.829 7.294 ( -10.561 -1.449 3.766) 11.306 7.506 ( -6.432 -2.282 0.813) 6.874 7.600 ( 2.235 3.577 2.266) 4.789 7.715 ( 0.156 4.903 -0.359) 4.919 7.759 ( 10.401 -3.485 -1.566) 11.081 8.651 ( -1.283 2.445 -0.090) 2.762 8.874 ( -3.398 -4.523 -1.120) 5.767 8.937 ( 8.190 1.793 2.211) 8.671 9.188 ( 6.479 -1.693 -1.718) 6.913 9.414 ( 3.857 6.425 -1.236) 7.595 9.534 ( -1.461 6.641 -0.303) 6.807 9.766 ( -5.260 6.404 2.810) 8.751 9.967 ( -4.600 -2.449 0.672) 5.255 11.282 ( -1.758 1.538 -0.601) 2.412 11.377 ( -3.583 -1.117 1.174) 3.932 12.519 ( 1.461 2.067 -1.157) 2.783 12.563 ( -1.118 1.671 0.913) 2.208 12.680 ( -0.154 1.170 -0.032) 1.180 12.762 ( -2.346 0.615 0.048) 2.425 13.011 ( -0.027 -0.118 0.182) 0.219 13.020 ( -0.418 0.697 -0.064) 0.816 13.367 ( 2.215 1.590 -0.712) 2.818 13.577 ( 0.929 -1.939 0.525) 2.213 14.288 ( 0.930 -0.866 0.071) 1.273 14.299 ( 1.483 -0.530 -0.237) 1.593 14.682 ( -0.683 1.760 0.976) 2.126 14.895 ( -4.507 -0.472 -1.410) 4.746 15.216 ( 3.194 -5.036 0.029) 5.964 15.240 ( 2.422 -5.300 -1.090) 5.928 15.489 ( -0.960 1.296 -0.542) 1.701 15.545 ( 1.136 -0.483 3.174) 3.406 15.628 ( 1.415 0.321 -1.220) 1.896 15.699 ( 3.517 -1.437 -2.131) 4.356 16.030 ( 6.664 -0.214 -0.949) 6.735 16.069 ( 3.165 3.703 1.159) 5.008 16.202 ( -5.557 3.555 3.610) 7.520 16.428 ( -8.192 1.273 2.469) 8.650 16.603 ( 2.988 1.611 -2.444) 4.183 16.764 ( -1.034 -1.587 -2.600) 3.217 19.653 ( 1.040 -1.365 -1.984) 2.623 19.694 ( -0.227 -2.072 1.849) 2.786 19.713 ( 1.299 -1.225 -0.809) 1.961 20.006 ( 1.751 -8.208 0.633) 8.417 ======================= Grid point 17 (12/70) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.000 6.987 -0.000) 6.987 0.848 ( 0.000 3.603 0.000) 3.603 0.904 ( 0.000 8.017 0.000) 8.017 1.065 ( 0.000 -1.922 0.000) 1.922 1.155 ( 0.000 1.812 0.000) 1.812 1.163 ( 0.000 -4.284 0.000) 4.284 1.202 ( 0.000 3.210 -0.000) 3.210 1.330 ( 0.000 3.327 -0.000) 3.327 1.388 ( 0.000 10.641 -0.000) 10.641 1.434 ( 0.000 2.437 0.000) 2.437 1.587 ( 0.000 1.618 0.000) 1.618 1.593 ( 0.000 4.049 -0.000) 4.049 1.642 ( 0.000 -0.618 -0.000) 0.618 1.653 ( 0.000 2.510 0.000) 2.510 1.686 ( 0.000 0.130 -0.000) 0.130 1.721 ( 0.000 5.299 0.000) 5.299 1.771 ( 0.000 -2.214 0.000) 2.214 1.819 ( 0.000 5.520 0.000) 5.520 1.901 ( 0.000 0.128 0.000) 0.128 1.947 ( 0.000 -1.050 -0.000) 1.050 1.963 ( -0.000 0.778 0.000) 0.778 2.081 ( -0.000 0.668 -0.000) 0.668 2.102 ( 0.000 0.919 0.000) 0.919 2.166 ( 0.000 -3.723 -0.000) 3.723 2.190 ( 0.000 0.089 0.000) 0.089 2.257 ( 0.000 5.088 -0.000) 5.088 2.285 ( 0.000 -2.782 0.000) 2.782 2.321 ( 0.000 0.376 -0.000) 0.376 2.405 ( 0.000 4.054 0.000) 4.054 2.433 ( 0.000 -2.960 0.000) 2.960 2.461 ( 0.000 -4.226 -0.000) 4.226 2.529 ( 0.000 0.093 -0.000) 0.093 2.598 ( 0.000 -0.453 0.000) 0.453 2.599 ( -0.000 -3.628 -0.000) 3.628 2.628 ( 0.000 4.528 0.000) 4.528 2.656 ( 0.000 -0.796 0.000) 0.796 2.728 ( 0.000 2.227 0.000) 2.227 2.753 ( 0.000 -2.523 0.000) 2.523 2.810 ( 0.000 1.335 -0.000) 1.335 2.861 ( 0.000 -3.406 -0.000) 3.406 2.903 ( 0.000 -4.204 0.000) 4.204 2.916 ( -0.000 1.986 -0.000) 1.986 3.001 ( 0.000 -0.984 -0.000) 0.984 3.113 ( 0.000 -0.361 0.000) 0.361 3.188 ( 0.000 -2.187 0.000) 2.187 3.260 ( -0.000 -3.484 0.000) 3.484 3.277 ( 0.000 -5.113 -0.000) 5.113 3.356 ( 0.000 6.416 0.000) 6.416 3.481 ( 0.000 -0.988 -0.000) 0.988 3.543 ( 0.000 1.022 0.000) 1.022 3.881 ( -0.000 0.578 0.000) 0.578 3.894 ( 0.000 1.588 -0.000) 1.588 4.041 ( 0.000 -2.156 -0.000) 2.156 4.166 ( 0.000 1.138 0.000) 1.138 4.211 ( 0.000 -3.881 0.000) 3.881 4.298 ( 0.000 0.810 -0.000) 0.810 4.407 ( 0.000 0.067 -0.000) 0.067 4.440 ( -0.000 1.470 0.000) 1.470 4.562 ( -0.000 1.109 0.000) 1.109 4.571 ( -0.000 1.342 -0.000) 1.342 4.571 ( 0.000 0.461 0.000) 0.461 4.649 ( 0.000 -1.089 0.000) 1.089 5.166 ( 0.000 -0.075 0.000) 0.075 5.362 ( 0.000 0.302 0.000) 0.302 5.476 ( 0.000 -1.704 0.000) 1.704 5.533 ( 0.000 -6.566 -0.000) 6.566 5.596 ( -0.000 -8.500 0.000) 8.500 5.663 ( 0.000 -0.128 0.000) 0.128 5.697 ( 0.000 1.825 -0.000) 1.825 5.954 ( 0.000 -5.582 0.000) 5.582 6.084 ( 0.000 -3.734 -0.000) 3.734 6.432 ( 0.000 -6.411 -0.000) 6.411 6.578 ( 0.000 -5.137 0.000) 5.137 6.673 ( 0.000 -9.673 0.000) 9.673 6.772 ( 0.000 0.594 0.000) 0.594 6.841 ( 0.000 -2.311 0.000) 2.311 6.922 ( 0.000 1.830 0.000) 1.830 7.172 ( 0.000 -2.595 0.000) 2.595 7.456 ( 0.000 -0.590 0.000) 0.590 7.673 ( 0.000 1.313 0.000) 1.313 7.697 ( 0.000 8.525 -0.000) 8.525 7.846 ( 0.000 -5.486 -0.000) 5.486 8.633 ( 0.000 2.896 0.000) 2.896 8.824 ( 0.000 -3.446 0.000) 3.446 9.076 ( 0.000 1.866 0.000) 1.866 9.202 ( 0.000 -0.604 0.000) 0.604 9.446 ( -0.000 5.631 0.000) 5.631 9.498 ( 0.000 8.447 -0.000) 8.447 9.749 ( 0.000 6.597 0.000) 6.597 9.924 ( 0.000 -5.096 0.000) 5.096 11.266 ( 0.000 1.901 -0.000) 1.901 11.346 ( 0.000 -0.667 0.000) 0.667 12.538 ( -0.000 2.983 0.000) 2.983 12.544 ( 0.000 2.199 -0.000) 2.199 12.680 ( 0.000 0.711 0.000) 0.711 12.741 ( 0.000 0.318 0.000) 0.318 13.012 ( 0.000 -0.143 0.000) 0.143 13.016 ( 0.000 0.733 -0.000) 0.733 13.385 ( 0.000 1.131 0.000) 1.131 13.588 ( 0.000 -2.348 0.000) 2.348 14.296 ( 0.000 -1.083 0.000) 1.083 14.313 ( 0.000 -0.344 -0.000) 0.344 14.681 ( 0.000 1.600 0.000) 1.600 14.847 ( 0.000 -0.115 0.000) 0.115 15.236 ( 0.000 -3.628 -0.000) 3.628 15.263 ( 0.000 -5.785 0.000) 5.785 15.478 ( 0.000 1.539 -0.000) 1.539 15.577 ( 0.000 -0.701 0.000) 0.701 15.629 ( 0.000 -2.116 0.000) 2.116 15.720 ( 0.000 1.264 -0.000) 1.264 16.096 ( 0.000 1.383 -0.000) 1.383 16.138 ( -0.000 8.176 0.000) 8.176 16.167 ( 0.000 -7.139 0.000) 7.139 16.309 ( 0.000 3.732 -0.000) 3.732 16.620 ( 0.000 4.151 -0.000) 4.151 16.757 ( 0.000 -3.348 0.000) 3.348 19.652 ( 0.000 -1.489 0.000) 1.489 19.701 ( 0.000 -2.414 -0.000) 2.414 19.720 ( 0.000 -1.262 -0.000) 1.262 20.027 ( 0.000 -9.293 0.000) 9.293 ======================= Grid point 21 (13/70) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 7.375 0.000) 7.375 0.833 ( 0.000 8.242 0.000) 8.242 0.961 ( 0.000 -4.599 0.000) 4.599 1.108 ( 0.000 -5.066 0.000) 5.066 1.143 ( 0.000 5.267 0.000) 5.267 1.213 ( 0.000 2.415 0.000) 2.415 1.290 ( 0.000 0.977 0.000) 0.977 1.357 ( 0.000 0.330 0.000) 0.330 1.419 ( 0.000 -4.270 0.000) 4.270 1.433 ( 0.000 -1.929 0.000) 1.929 1.522 ( 0.000 1.481 0.000) 1.481 1.526 ( 0.000 4.964 0.000) 4.964 1.625 ( 0.000 4.075 0.000) 4.075 1.726 ( 0.000 0.907 0.000) 0.907 1.786 ( 0.000 2.080 0.000) 2.080 1.806 ( 0.000 -3.765 0.000) 3.765 1.850 ( 0.000 -1.086 0.000) 1.086 1.861 ( 0.000 4.809 0.000) 4.809 1.903 ( 0.000 -1.008 0.000) 1.008 1.944 ( 0.000 1.644 0.000) 1.644 2.013 ( 0.000 3.141 0.000) 3.141 2.049 ( 0.000 -4.526 0.000) 4.526 2.100 ( 0.000 1.100 0.000) 1.100 2.132 ( 0.000 6.794 0.000) 6.794 2.165 ( 0.000 -6.909 0.000) 6.909 2.212 ( 0.000 5.955 0.000) 5.955 2.267 ( 0.000 -2.643 0.000) 2.643 2.359 ( 0.000 1.370 0.000) 1.370 2.379 ( 0.000 0.430 0.000) 0.430 2.413 ( 0.000 -1.209 0.000) 1.209 2.417 ( 0.000 7.004 0.000) 7.004 2.499 ( 0.000 -0.556 0.000) 0.556 2.504 ( 0.000 -3.047 0.000) 3.047 2.594 ( 0.000 0.493 0.000) 0.493 2.594 ( 0.000 1.025 0.000) 1.025 2.683 ( 0.000 0.159 0.000) 0.159 2.729 ( 0.000 -0.341 0.000) 0.341 2.733 ( 0.000 -1.822 0.000) 1.822 2.778 ( 0.000 3.447 0.000) 3.447 2.835 ( 0.000 -2.843 0.000) 2.843 2.909 ( 0.000 -4.834 0.000) 4.834 2.921 ( 0.000 0.092 0.000) 0.092 3.042 ( 0.000 -1.767 0.000) 1.767 3.070 ( 0.000 0.263 0.000) 0.263 3.147 ( 0.000 3.729 0.000) 3.729 3.175 ( 0.000 2.662 0.000) 2.662 3.240 ( 0.000 -0.568 0.000) 0.568 3.365 ( 0.000 2.245 0.000) 2.245 3.496 ( 0.000 4.181 0.000) 4.181 3.552 ( 0.000 -8.503 0.000) 8.503 3.649 ( 0.000 -1.717 0.000) 1.717 3.666 ( 0.000 -1.534 0.000) 1.534 4.037 ( 0.000 0.297 0.000) 0.297 4.060 ( 0.000 -1.347 0.000) 1.347 4.226 ( 0.000 1.683 0.000) 1.683 4.252 ( 0.000 1.168 0.000) 1.168 4.411 ( 0.000 2.392 0.000) 2.392 4.509 ( 0.000 -1.454 0.000) 1.454 4.589 ( 0.000 -1.512 0.000) 1.512 4.634 ( 0.000 -5.501 0.000) 5.501 4.655 ( 0.000 4.318 0.000) 4.318 4.834 ( 0.000 -3.215 0.000) 3.215 5.263 ( 0.000 -1.321 0.000) 1.321 5.328 ( 0.000 -1.008 0.000) 1.008 5.410 ( 0.000 -9.561 0.000) 9.561 5.464 ( 0.000 -7.617 0.000) 7.617 5.635 ( 0.000 -0.291 0.000) 0.291 5.663 ( 0.000 0.754 0.000) 0.754 5.738 ( 0.000 -0.937 0.000) 0.937 5.837 ( 0.000 -8.108 0.000) 8.108 6.064 ( 0.000 1.320 0.000) 1.320 6.145 ( 0.000 -0.495 0.000) 0.495 6.342 ( 0.000 2.298 0.000) 2.298 6.487 ( 0.000 -6.774 0.000) 6.774 6.889 ( 0.000 2.370 0.000) 2.370 7.011 ( 0.000 -3.959 0.000) 3.959 7.283 ( 0.000 2.070 0.000) 2.070 7.315 ( 0.000 0.013 0.000) 0.013 7.388 ( 0.000 3.131 0.000) 3.131 7.585 ( 0.000 -7.120 0.000) 7.120 7.785 ( 0.000 2.924 0.000) 2.924 7.787 ( 0.000 1.338 0.000) 1.338 8.685 ( 0.000 6.022 0.000) 6.022 8.838 ( 0.000 0.965 0.000) 0.965 8.883 ( 0.000 -1.524 0.000) 1.524 8.931 ( 0.000 -6.837 0.000) 6.837 9.467 ( 0.000 7.824 0.000) 7.824 9.565 ( 0.000 3.564 0.000) 3.564 9.992 ( 0.000 2.568 0.000) 2.568 10.088 ( 0.000 -1.636 0.000) 1.636 11.371 ( 0.000 0.360 0.000) 0.360 11.402 ( 0.000 -1.485 0.000) 1.485 12.537 ( 0.000 0.475 0.000) 0.475 12.543 ( 0.000 0.489 0.000) 0.489 12.739 ( 0.000 2.190 0.000) 2.190 12.817 ( 0.000 -1.676 0.000) 1.676 13.013 ( 0.000 0.459 0.000) 0.459 13.037 ( 0.000 -0.291 0.000) 0.291 13.395 ( 0.000 3.703 0.000) 3.703 13.510 ( 0.000 -1.888 0.000) 1.888 14.246 ( 0.000 0.063 0.000) 0.063 14.256 ( 0.000 -0.544 0.000) 0.544 14.734 ( 0.000 3.305 0.000) 3.305 14.976 ( 0.000 -7.037 0.000) 7.037 15.035 ( 0.000 -2.251 0.000) 2.251 15.037 ( 0.000 -4.651 0.000) 4.651 15.511 ( 0.000 1.456 0.000) 1.456 15.528 ( 0.000 0.512 0.000) 0.512 15.607 ( 0.000 -0.030 0.000) 0.030 15.615 ( 0.000 -0.354 0.000) 0.354 15.970 ( 0.000 2.360 0.000) 2.360 16.017 ( 0.000 0.113 0.000) 0.113 16.434 ( 0.000 1.129 0.000) 1.129 16.476 ( 0.000 -1.352 0.000) 1.352 16.523 ( 0.000 11.059 0.000) 11.059 16.877 ( 0.000 -7.573 0.000) 7.573 19.637 ( 0.000 0.101 0.000) 0.101 19.659 ( 0.000 -0.871 0.000) 0.871 19.695 ( 0.000 1.776 0.000) 1.776 19.844 ( 0.000 -5.538 0.000) 5.538 ======================= Grid point 22 (14/70) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 2.699 6.585 2.416) 7.515 0.877 ( 4.470 7.446 0.535) 8.701 0.970 ( 1.050 -3.565 -1.951) 4.197 1.066 ( 2.075 -1.152 -5.751) 6.221 1.134 ( -5.807 2.022 1.369) 6.300 1.194 ( 0.949 3.365 -1.638) 3.861 1.273 ( -1.657 2.928 0.545) 3.408 1.364 ( -0.037 -1.028 0.823) 1.317 1.431 ( 2.635 -5.015 0.211) 5.668 1.446 ( -0.887 -1.014 3.376) 3.635 1.538 ( 3.672 3.695 -2.635) 5.838 1.579 ( 2.309 2.679 3.521) 4.990 1.620 ( -0.961 2.181 0.962) 2.570 1.696 ( -0.065 0.366 -1.667) 1.708 1.771 ( -1.992 -0.721 -3.234) 3.866 1.818 ( -3.376 0.779 1.461) 3.760 1.837 ( 0.135 1.158 0.034) 1.166 1.873 ( 1.740 3.401 1.917) 4.275 1.932 ( -4.830 -0.977 1.823) 5.255 1.941 ( 1.403 1.939 -1.648) 2.906 1.990 ( 1.835 1.258 0.787) 2.360 2.027 ( 1.781 -1.123 1.445) 2.553 2.080 ( -3.486 4.614 1.331) 5.934 2.148 ( 2.955 -2.052 -3.395) 4.947 2.163 ( -0.757 -4.187 0.560) 4.292 2.211 ( -2.967 -1.631 0.070) 3.387 2.266 ( 3.352 2.479 -0.783) 4.242 2.343 ( 0.382 -0.717 -1.760) 1.939 2.383 ( -0.664 1.359 1.640) 2.231 2.436 ( 1.161 1.964 -1.280) 2.616 2.448 ( 1.085 2.176 1.475) 2.844 2.489 ( 1.561 2.295 -1.697) 3.254 2.512 ( -0.931 -2.770 2.625) 3.928 2.574 ( -0.161 3.564 -0.510) 3.604 2.606 ( 1.134 -0.210 -1.719) 2.070 2.710 ( 2.365 0.563 1.288) 2.751 2.737 ( 1.458 -0.493 2.279) 2.750 2.787 ( 2.722 0.417 -0.025) 2.754 2.824 ( 2.037 0.335 0.829) 2.225 2.838 ( 0.075 -1.059 -0.760) 1.306 2.900 ( -1.930 0.758 -0.910) 2.264 2.908 ( 0.389 -2.239 -1.336) 2.637 2.967 ( -0.250 -5.577 -4.534) 7.192 3.100 ( 0.643 -0.750 0.282) 1.027 3.130 ( -1.775 0.030 1.182) 2.133 3.159 ( 0.950 5.919 -3.978) 7.194 3.270 ( 1.081 -1.245 1.800) 2.441 3.388 ( 2.112 2.125 0.798) 3.101 3.451 ( -5.703 -3.441 1.512) 6.831 3.521 ( 0.326 -1.623 2.288) 2.824 3.746 ( 7.499 0.863 -0.001) 7.549 3.763 ( 6.717 -0.970 1.425) 6.934 4.038 ( 0.910 -1.038 -2.524) 2.876 4.057 ( 1.389 -1.792 -0.451) 2.311 4.232 ( -0.338 1.934 0.225) 1.976 4.266 ( 1.286 0.666 1.109) 1.823 4.403 ( 0.096 1.945 -1.344) 2.366 4.488 ( -1.941 -2.031 -4.104) 4.973 4.517 ( -2.508 0.516 -0.953) 2.732 4.588 ( -0.537 -2.420 -0.628) 2.558 4.732 ( -1.659 0.446 5.826) 6.074 4.818 ( -1.884 -2.162 -1.029) 3.047 5.223 ( -2.170 -1.357 -1.125) 2.796 5.352 ( -1.277 -2.681 1.939) 3.547 5.361 ( -3.024 -7.746 1.576) 8.463 5.454 ( -1.577 -4.812 -1.756) 5.360 5.552 ( -2.364 -0.156 -0.019) 2.369 5.643 ( -3.171 -3.041 -0.919) 4.488 5.835 ( 9.665 0.450 -2.729) 10.053 5.900 ( 0.450 -3.429 2.725) 4.403 6.069 ( 1.977 0.406 -1.615) 2.585 6.189 ( 4.621 -1.985 1.026) 5.132 6.288 ( -3.155 0.841 0.149) 3.269 6.441 ( -6.591 -7.712 2.522) 10.453 6.831 ( -2.658 1.029 -3.866) 4.803 6.915 ( -10.152 -2.700 4.529) 11.439 7.287 ( -1.096 2.114 3.267) 4.043 7.358 ( -2.786 0.208 2.061) 3.472 7.462 ( 6.270 -1.222 -1.256) 6.510 7.563 ( 0.754 -4.599 -5.169) 6.960 7.742 ( -2.890 4.020 0.525) 4.979 7.779 ( -0.199 2.005 0.624) 2.109 8.710 ( 2.610 4.573 -1.730) 5.542 8.831 ( 0.976 -0.125 -1.562) 1.846 8.891 ( -1.394 -1.852 2.288) 3.257 8.978 ( 8.759 -4.678 -2.753) 10.304 9.504 ( 3.386 7.934 0.508) 8.641 9.611 ( 4.523 3.800 -0.245) 5.912 9.942 ( -6.942 2.579 2.653) 7.866 10.033 ( -6.103 -1.860 0.123) 6.381 11.346 ( -2.285 0.669 -0.279) 2.397 11.387 ( -2.021 -1.610 0.557) 2.643 12.539 ( 1.095 1.208 -0.755) 1.797 12.561 ( 1.179 0.150 0.691) 1.375 12.729 ( -1.204 2.064 0.168) 2.395 12.798 ( -1.860 -1.269 -0.209) 2.261 13.013 ( -0.080 0.417 0.094) 0.434 13.034 ( -0.291 -0.192 -0.146) 0.378 13.398 ( 0.655 3.439 -0.488) 3.534 13.518 ( 0.449 -2.267 0.468) 2.358 14.261 ( 1.320 0.016 0.169) 1.331 14.266 ( 1.343 -0.347 -0.358) 1.433 14.728 ( -0.940 2.814 0.487) 3.007 14.926 ( -4.049 -6.112 -1.067) 7.409 15.061 ( 3.533 -2.417 0.348) 4.295 15.094 ( 5.040 -4.030 -1.207) 6.565 15.506 ( -1.547 0.470 1.483) 2.194 15.525 ( -0.883 -0.539 1.067) 1.486 15.622 ( 2.206 0.002 -0.697) 2.313 15.625 ( 1.963 0.230 -1.401) 2.423 15.992 ( 2.502 2.409 0.001) 3.473 16.042 ( 2.264 0.163 0.623) 2.353 16.393 ( -2.798 4.916 -1.113) 5.765 16.499 ( -0.078 -0.972 2.111) 2.325 16.550 ( 1.461 5.529 2.132) 6.103 16.815 ( -4.410 -5.510 -3.283) 7.784 19.637 ( 0.896 -0.239 -1.623) 1.869 19.658 ( -0.941 -1.042 1.416) 1.994 19.700 ( 0.410 1.494 0.173) 1.559 19.848 ( 0.473 -5.851 0.005) 5.870 ======================= Grid point 23 (15/70) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 3.602 4.157 1.088) 5.607 0.910 ( -3.178 2.136 -3.520) 5.201 0.974 ( 4.328 4.567 2.139) 6.645 1.069 ( 0.256 0.787 -2.713) 2.837 1.077 ( 1.993 0.554 -1.819) 2.755 1.198 ( 1.505 2.709 -0.404) 3.125 1.252 ( -1.560 4.001 0.442) 4.317 1.385 ( 0.498 -0.059 2.130) 2.188 1.458 ( 0.095 0.139 3.322) 3.326 1.515 ( 4.904 -4.204 -0.702) 6.497 1.553 ( -1.254 3.788 0.747) 4.060 1.613 ( -0.137 0.534 0.428) 0.699 1.639 ( 1.244 0.685 -0.310) 1.454 1.674 ( -0.490 0.175 -2.562) 2.614 1.742 ( 1.094 1.002 -3.221) 3.546 1.772 ( -3.159 -2.125 -1.186) 3.988 1.792 ( -2.440 5.574 1.998) 6.404 1.878 ( -0.207 1.291 1.396) 1.913 1.919 ( -0.249 -1.010 3.426) 3.581 1.961 ( -1.961 -1.241 5.699) 6.154 1.984 ( 1.512 5.421 -1.874) 5.932 2.053 ( -0.506 -0.630 -0.789) 1.129 2.113 ( -1.663 0.252 0.115) 1.686 2.124 ( 1.721 -1.015 -0.655) 2.103 2.165 ( -1.170 -1.720 -0.837) 2.243 2.233 ( 2.906 -2.268 2.506) 4.457 2.312 ( 3.273 3.042 1.723) 4.789 2.337 ( 0.571 -0.447 -2.895) 2.985 2.369 ( -0.338 -2.025 -1.231) 2.394 2.406 ( -0.209 -0.759 -3.779) 3.860 2.455 ( -1.022 0.480 2.315) 2.576 2.508 ( 2.394 0.413 1.494) 2.852 2.560 ( 0.952 2.996 2.240) 3.860 2.589 ( 1.229 3.546 1.800) 4.163 2.650 ( 2.799 -0.687 -1.753) 3.373 2.730 ( -0.294 4.710 -1.596) 4.982 2.767 ( -1.505 2.545 -3.327) 4.451 2.780 ( 1.422 -3.057 -0.195) 3.377 2.795 ( -0.375 2.140 -3.134) 3.814 2.822 ( -3.389 -1.416 -0.208) 3.679 2.849 ( -0.718 -1.558 0.606) 1.820 2.942 ( 1.715 -3.037 0.979) 3.623 2.998 ( 5.347 -4.848 -1.612) 7.395 3.111 ( 0.810 -1.573 -0.050) 1.770 3.123 ( -0.141 -0.874 -1.355) 1.618 3.137 ( 0.002 5.811 -0.453) 5.828 3.246 ( -4.546 -5.896 -0.780) 7.485 3.410 ( -0.510 -0.781 2.910) 3.056 3.462 ( 4.078 3.396 0.509) 5.331 3.574 ( 2.133 1.429 2.395) 3.511 3.834 ( 2.926 0.308 0.264) 2.954 3.871 ( 2.494 -0.902 1.659) 3.128 4.030 ( 1.981 -0.499 -2.689) 3.377 4.102 ( 3.222 -3.382 -0.383) 4.686 4.220 ( -0.433 2.669 -0.810) 2.822 4.290 ( 1.855 -0.314 -1.792) 2.598 4.397 ( 0.412 1.419 -0.186) 1.489 4.445 ( 0.155 -0.669 0.904) 1.135 4.504 ( 0.272 0.055 0.776) 0.824 4.575 ( -0.243 -2.164 -0.196) 2.186 4.689 ( -7.306 0.778 2.148) 7.655 4.732 ( -6.506 -0.766 -1.428) 6.705 5.180 ( -1.253 -0.715 -1.138) 1.837 5.331 ( -0.980 -8.164 0.972) 8.280 5.372 ( 0.826 -2.235 1.197) 2.666 5.414 ( -0.905 -2.713 0.180) 2.865 5.535 ( 0.059 0.356 -0.694) 0.782 5.618 ( 1.789 -2.619 -2.022) 3.762 5.827 ( -7.665 1.651 3.091) 8.428 5.931 ( -0.538 -2.885 -1.448) 3.273 6.032 ( -1.812 2.592 -2.082) 3.786 6.331 ( -0.258 -5.436 0.100) 5.443 6.334 ( 5.682 -7.147 3.607) 9.817 6.391 ( 9.325 -4.807 1.469) 10.593 6.773 ( -0.483 1.084 -0.921) 1.503 6.827 ( -3.106 -0.729 1.138) 3.388 7.164 ( -11.929 1.919 -4.309) 12.828 7.257 ( -11.000 -2.319 1.125) 11.298 7.473 ( -2.641 -0.769 0.485) 2.793 7.563 ( 3.284 -4.818 0.314) 5.839 7.775 ( 4.819 4.156 -0.565) 6.388 7.815 ( 1.921 2.900 1.453) 3.770 8.702 ( -0.687 2.578 -1.581) 3.101 8.798 ( -2.132 -3.072 -1.968) 4.226 8.988 ( 9.053 3.239 1.887) 9.798 9.132 ( 9.241 -3.647 -1.163) 10.002 9.557 ( 1.812 7.441 -0.759) 7.696 9.665 ( 1.421 5.508 -0.854) 5.752 9.851 ( -5.474 1.758 3.880) 6.936 9.904 ( -8.015 -2.952 -0.070) 8.541 11.306 ( -1.488 0.960 -0.429) 1.822 11.350 ( -2.673 -1.491 0.656) 3.131 12.560 ( 2.059 1.932 -0.675) 2.903 12.587 ( 0.754 0.704 0.638) 1.213 12.707 ( -1.250 1.572 0.117) 2.012 12.759 ( -2.180 -0.757 -0.138) 2.312 13.013 ( -0.055 0.306 0.079) 0.320 13.027 ( -0.267 -0.025 -0.138) 0.302 13.408 ( 1.007 2.656 -0.495) 2.883 13.529 ( 0.192 -2.935 0.463) 2.978 14.281 ( 1.073 0.122 -0.271) 1.113 14.293 ( 1.507 -0.243 -0.008) 1.526 14.715 ( -0.934 1.971 0.473) 2.232 14.849 ( -3.179 -3.883 -0.974) 5.112 15.131 ( 3.532 -2.791 0.335) 4.515 15.158 ( 3.160 -3.157 -0.909) 4.558 15.489 ( -1.359 -0.572 0.681) 1.624 15.527 ( -0.284 -2.196 1.223) 2.530 15.633 ( 1.538 1.029 -1.846) 2.614 15.677 ( 2.950 -0.682 0.612) 3.090 16.046 ( 3.664 1.758 -0.517) 4.097 16.093 ( 2.243 0.173 0.862) 2.409 16.340 ( -1.640 7.448 -0.926) 7.683 16.466 ( -6.721 1.670 2.548) 7.380 16.607 ( 3.615 -0.092 -0.044) 3.616 16.718 ( -2.844 -3.131 -1.799) 4.597 19.634 ( 0.546 -0.509 -1.409) 1.595 19.657 ( -0.667 -1.579 1.258) 2.126 19.709 ( 0.427 1.015 0.070) 1.103 19.858 ( 0.485 -6.641 0.125) 6.660 ======================= Grid point 24 (16/70) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 0.000 5.345 -0.000) 5.345 0.926 ( 0.000 2.998 0.000) 2.998 1.039 ( -0.000 4.584 -0.000) 4.584 1.043 ( 0.000 -0.122 0.000) 0.122 1.095 ( 0.000 -1.487 0.000) 1.487 1.217 ( 0.000 -1.025 -0.000) 1.025 1.239 ( 0.000 7.459 0.000) 7.459 1.400 ( 0.000 2.674 0.000) 2.674 1.503 ( 0.000 2.934 -0.000) 2.934 1.526 ( -0.000 2.951 -0.000) 2.951 1.555 ( 0.000 -3.035 0.000) 3.035 1.615 ( 0.000 -1.296 0.000) 1.296 1.623 ( 0.000 -0.495 -0.000) 0.495 1.662 ( 0.000 -0.196 -0.000) 0.196 1.712 ( 0.000 -3.186 -0.000) 3.186 1.729 ( 0.000 1.028 0.000) 1.028 1.819 ( 0.000 4.380 0.000) 4.380 1.917 ( -0.000 2.888 -0.000) 2.888 1.921 ( 0.000 4.752 0.000) 4.752 1.966 ( 0.000 -0.387 -0.000) 0.387 2.015 ( 0.000 5.983 -0.000) 5.983 2.042 ( -0.000 -2.370 -0.000) 2.370 2.055 ( 0.000 -5.618 0.000) 5.618 2.145 ( 0.000 -1.719 -0.000) 1.719 2.167 ( 0.000 0.826 0.000) 0.826 2.229 ( 0.000 -2.605 0.000) 2.605 2.323 ( 0.000 -3.553 0.000) 3.553 2.357 ( 0.000 -4.121 0.000) 4.121 2.372 ( 0.000 4.200 0.000) 4.200 2.418 ( 0.000 2.107 -0.000) 2.107 2.459 ( 0.000 2.173 -0.000) 2.173 2.560 ( 0.000 2.419 0.000) 2.419 2.571 ( 0.000 -2.718 0.000) 2.718 2.615 ( -0.000 4.771 -0.000) 4.771 2.634 ( 0.000 -0.588 0.000) 0.588 2.698 ( 0.000 2.422 0.000) 2.422 2.750 ( 0.000 0.482 0.000) 0.482 2.776 ( 0.000 -2.713 0.000) 2.713 2.777 ( -0.000 4.783 -0.000) 4.783 2.799 ( 0.000 -2.031 0.000) 2.031 2.849 ( 0.000 -0.824 -0.000) 0.824 2.961 ( 0.000 -2.909 -0.000) 2.909 3.051 ( 0.000 -3.905 0.000) 3.905 3.100 ( 0.000 8.496 0.000) 8.496 3.134 ( 0.000 -2.240 0.000) 2.240 3.150 ( -0.000 -6.670 -0.000) 6.670 3.166 ( 0.000 -3.018 0.000) 3.018 3.426 ( 0.000 0.223 0.000) 0.223 3.511 ( 0.000 3.880 -0.000) 3.880 3.607 ( 0.000 3.056 0.000) 3.056 3.871 ( -0.000 -1.244 0.000) 1.244 3.877 ( 0.000 -1.886 -0.000) 1.886 4.043 ( 0.000 1.051 -0.000) 1.051 4.130 ( 0.000 -4.110 0.000) 4.110 4.211 ( 0.000 3.026 0.000) 3.026 4.303 ( 0.000 -0.517 -0.000) 0.517 4.419 ( 0.000 0.977 -0.000) 0.977 4.447 ( -0.000 -0.294 0.000) 0.294 4.560 ( -0.000 -0.879 0.000) 0.879 4.563 ( 0.000 -0.004 -0.000) 0.004 4.603 ( -0.000 0.682 0.000) 0.682 4.626 ( 0.000 -1.158 -0.000) 1.158 5.165 ( 0.000 0.064 0.000) 0.064 5.329 ( 0.000 -7.634 0.000) 7.634 5.387 ( 0.000 -2.765 0.000) 2.765 5.415 ( 0.000 -3.505 -0.000) 3.505 5.535 ( 0.000 1.612 0.000) 1.612 5.646 ( 0.000 -1.877 0.000) 1.877 5.748 ( 0.000 2.987 -0.000) 2.987 5.884 ( 0.000 -2.513 0.000) 2.513 6.022 ( 0.000 -0.864 -0.000) 0.864 6.277 ( 0.000 -9.816 -0.000) 9.816 6.500 ( 0.000 -2.939 0.000) 2.939 6.504 ( -0.000 -5.227 0.000) 5.227 6.788 ( 0.000 0.978 0.000) 0.978 6.822 ( 0.000 -0.620 0.000) 0.620 6.969 ( -0.000 3.154 0.000) 3.154 7.115 ( 0.000 -3.390 0.000) 3.390 7.455 ( 0.000 0.791 0.000) 0.791 7.602 ( 0.000 -6.211 -0.000) 6.211 7.823 ( 0.000 4.218 -0.000) 4.218 7.837 ( -0.000 2.218 0.000) 2.218 8.687 ( 0.000 2.466 -0.000) 2.466 8.764 ( 0.000 -2.375 0.000) 2.375 9.121 ( 0.000 2.615 -0.000) 2.615 9.196 ( 0.000 -0.680 0.000) 0.680 9.556 ( 0.000 5.516 0.000) 5.516 9.668 ( 0.000 7.556 -0.000) 7.556 9.809 ( 0.000 -5.476 0.000) 5.476 9.840 ( 0.000 2.162 0.000) 2.162 11.293 ( 0.000 0.893 -0.000) 0.893 11.326 ( 0.000 -1.200 0.000) 1.200 12.586 ( -0.000 1.868 0.000) 1.868 12.589 ( 0.000 1.974 -0.000) 1.974 12.697 ( 0.000 0.979 0.000) 0.979 12.736 ( 0.000 -0.718 0.000) 0.718 13.013 ( 0.000 0.240 -0.000) 0.240 13.024 ( 0.000 0.040 0.000) 0.040 13.416 ( 0.000 2.154 -0.000) 2.154 13.533 ( 0.000 -3.229 0.000) 3.229 14.289 ( 0.000 0.259 0.000) 0.259 14.307 ( 0.000 -0.319 -0.000) 0.319 14.709 ( 0.000 1.602 -0.000) 1.602 14.815 ( 0.000 -2.934 0.000) 2.934 15.167 ( 0.000 -3.127 0.000) 3.127 15.179 ( 0.000 -2.353 0.000) 2.353 15.480 ( 0.000 -0.704 -0.000) 0.704 15.532 ( 0.000 -3.392 0.000) 3.392 15.638 ( 0.000 1.993 0.000) 1.993 15.710 ( 0.000 -1.484 0.000) 1.484 16.084 ( -0.000 0.084 0.000) 0.084 16.118 ( 0.000 0.445 -0.000) 0.445 16.332 ( -0.000 8.307 0.000) 8.307 16.387 ( 0.000 3.834 -0.000) 3.834 16.652 ( 0.000 -0.437 -0.000) 0.437 16.679 ( -0.000 -3.965 0.000) 3.965 19.631 ( 0.000 -0.556 0.000) 0.556 19.658 ( 0.000 -1.863 -0.000) 1.863 19.714 ( 0.000 0.824 -0.000) 0.824 19.863 ( 0.000 -7.109 0.000) 7.109 ======================= Grid point 28 (17/70) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 0.000 -5.220 0.000) 5.220 0.866 ( 0.000 5.220 0.000) 5.220 0.979 ( 0.000 -7.019 0.000) 7.019 0.979 ( 0.000 7.019 0.000) 7.019 1.227 ( 0.000 -2.558 0.000) 2.558 1.227 ( 0.000 2.558 0.000) 2.558 1.342 ( 0.000 -3.462 0.000) 3.462 1.342 ( 0.000 3.462 0.000) 3.462 1.372 ( 0.000 -0.422 0.000) 0.422 1.372 ( 0.000 0.422 0.000) 0.422 1.572 ( 0.000 -1.034 0.000) 1.034 1.572 ( 0.000 1.034 0.000) 1.034 1.685 ( 0.000 -3.731 0.000) 3.731 1.685 ( 0.000 3.731 0.000) 3.731 1.799 ( 0.000 -3.130 0.000) 3.130 1.799 ( 0.000 3.130 0.000) 3.130 1.858 ( 0.000 -3.700 0.000) 3.700 1.858 ( 0.000 3.700 0.000) 3.700 1.952 ( 0.000 -3.526 0.000) 3.526 1.952 ( 0.000 3.526 0.000) 3.526 2.020 ( 0.000 -4.392 0.000) 4.392 2.020 ( 0.000 4.392 0.000) 4.392 2.091 ( 0.000 -3.914 0.000) 3.914 2.091 ( 0.000 3.914 0.000) 3.914 2.184 ( 0.000 -5.165 0.000) 5.165 2.184 ( 0.000 5.165 0.000) 5.165 2.367 ( 0.000 -2.988 0.000) 2.988 2.367 ( 0.000 2.988 0.000) 2.988 2.386 ( 0.000 -0.611 0.000) 0.611 2.386 ( 0.000 0.611 0.000) 0.611 2.460 ( 0.000 -0.397 0.000) 0.397 2.460 ( 0.000 0.397 0.000) 0.397 2.592 ( 0.000 -3.373 0.000) 3.373 2.592 ( 0.000 3.373 0.000) 3.373 2.611 ( 0.000 -5.126 0.000) 5.126 2.611 ( 0.000 5.126 0.000) 5.126 2.725 ( 0.000 -0.568 0.000) 0.568 2.725 ( 0.000 0.568 0.000) 0.568 2.816 ( 0.000 -2.546 0.000) 2.546 2.816 ( 0.000 2.546 0.000) 2.546 2.916 ( 0.000 -4.076 0.000) 4.076 2.916 ( 0.000 4.076 0.000) 4.076 3.027 ( 0.000 -2.634 0.000) 2.634 3.027 ( 0.000 2.634 0.000) 2.634 3.204 ( 0.000 -1.064 0.000) 1.064 3.204 ( 0.000 1.064 0.000) 1.064 3.292 ( 0.000 -8.115 0.000) 8.115 3.292 ( 0.000 8.115 0.000) 8.115 3.505 ( 0.000 -2.397 0.000) 2.397 3.505 ( 0.000 2.397 0.000) 2.397 3.643 ( 0.000 -0.917 0.000) 0.917 3.643 ( 0.000 0.917 0.000) 0.917 4.045 ( 0.000 -0.442 0.000) 0.442 4.045 ( 0.000 0.442 0.000) 0.442 4.255 ( 0.000 -0.851 0.000) 0.851 4.255 ( 0.000 0.851 0.000) 0.851 4.464 ( 0.000 -2.958 0.000) 2.958 4.464 ( 0.000 2.958 0.000) 2.958 4.576 ( 0.000 -0.654 0.000) 0.654 4.576 ( 0.000 0.654 0.000) 0.654 4.751 ( 0.000 -5.088 0.000) 5.088 4.751 ( 0.000 5.088 0.000) 5.088 5.269 ( 0.000 -3.277 0.000) 3.277 5.269 ( 0.000 3.277 0.000) 3.277 5.354 ( 0.000 -3.491 0.000) 3.491 5.354 ( 0.000 3.491 0.000) 3.491 5.662 ( 0.000 -1.689 0.000) 1.689 5.662 ( 0.000 1.689 0.000) 1.689 5.733 ( 0.000 -1.570 0.000) 1.570 5.733 ( 0.000 1.570 0.000) 1.570 6.112 ( 0.000 -2.667 0.000) 2.667 6.112 ( 0.000 2.667 0.000) 2.667 6.391 ( 0.000 -3.294 0.000) 3.294 6.391 ( 0.000 3.294 0.000) 3.294 6.941 ( 0.000 -3.118 0.000) 3.118 6.941 ( 0.000 3.118 0.000) 3.118 7.308 ( 0.000 -0.743 0.000) 0.743 7.308 ( 0.000 0.743 0.000) 0.743 7.468 ( 0.000 -4.983 0.000) 4.983 7.468 ( 0.000 4.983 0.000) 4.983 7.809 ( 0.000 -0.322 0.000) 0.322 7.809 ( 0.000 0.322 0.000) 0.322 8.803 ( 0.000 -6.170 0.000) 6.170 8.803 ( 0.000 6.170 0.000) 6.170 8.859 ( 0.000 -1.205 0.000) 1.205 8.859 ( 0.000 1.205 0.000) 1.205 9.576 ( 0.000 -2.729 0.000) 2.729 9.576 ( 0.000 2.729 0.000) 2.729 10.042 ( 0.000 -2.652 0.000) 2.652 10.042 ( 0.000 2.652 0.000) 2.652 11.380 ( 0.000 -0.719 0.000) 0.719 11.380 ( 0.000 0.719 0.000) 0.719 12.546 ( 0.000 -0.240 0.000) 0.240 12.546 ( 0.000 0.240 0.000) 0.240 12.781 ( 0.000 -2.040 0.000) 2.040 12.781 ( 0.000 2.040 0.000) 2.040 13.026 ( 0.000 -0.742 0.000) 0.742 13.026 ( 0.000 0.742 0.000) 0.742 13.462 ( 0.000 -3.053 0.000) 3.053 13.462 ( 0.000 3.053 0.000) 3.053 14.249 ( 0.000 -0.259 0.000) 0.259 14.249 ( 0.000 0.259 0.000) 0.259 14.827 ( 0.000 -6.489 0.000) 6.489 14.827 ( 0.000 6.489 0.000) 6.489 15.009 ( 0.000 -0.275 0.000) 0.275 15.009 ( 0.000 0.275 0.000) 0.275 15.530 ( 0.000 -0.398 0.000) 0.398 15.530 ( 0.000 0.398 0.000) 0.398 15.608 ( 0.000 -0.220 0.000) 0.220 15.608 ( 0.000 0.220 0.000) 0.220 16.006 ( 0.000 -1.272 0.000) 1.272 16.006 ( 0.000 1.272 0.000) 1.272 16.454 ( 0.000 -1.000 0.000) 1.000 16.454 ( 0.000 1.000 0.000) 1.000 16.718 ( 0.000 -8.995 0.000) 8.995 16.718 ( 0.000 8.995 0.000) 8.995 19.644 ( 0.000 -0.639 0.000) 0.639 19.644 ( 0.000 0.639 0.000) 0.639 19.751 ( 0.000 -3.908 0.000) 3.908 19.751 ( 0.000 3.908 0.000) 3.908 ======================= Grid point 30 (18/70) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 1.847 -4.656 0.606) 5.046 0.888 ( 1.847 4.656 0.606) 5.046 0.998 ( 2.798 -4.981 -1.497) 5.906 0.998 ( 2.798 4.981 -1.497) 5.906 1.197 ( -2.904 -3.396 1.192) 4.625 1.197 ( -2.904 3.396 1.192) 4.625 1.334 ( 1.276 -1.188 -2.344) 2.921 1.334 ( 1.276 1.188 -2.344) 2.921 1.402 ( 0.860 -2.431 2.351) 3.490 1.402 ( 0.860 2.431 2.351) 3.490 1.600 ( 3.503 -2.074 -1.391) 4.301 1.600 ( 3.503 2.074 -1.391) 4.301 1.680 ( -1.449 -2.602 2.517) 3.899 1.680 ( -1.449 2.602 2.517) 3.899 1.752 ( -1.700 -2.534 -1.856) 3.571 1.752 ( -1.700 2.534 -1.856) 3.571 1.902 ( -2.702 -0.911 2.400) 3.727 1.902 ( -2.702 0.911 2.400) 3.727 1.965 ( -3.672 -1.770 0.102) 4.078 1.965 ( -3.672 1.770 0.102) 4.078 1.996 ( 6.324 -3.003 -1.246) 7.111 1.996 ( 6.324 3.003 -1.246) 7.111 2.079 ( -0.288 -3.220 0.542) 3.278 2.079 ( -0.288 3.220 0.542) 3.278 2.174 ( -1.487 -2.412 -0.341) 2.854 2.174 ( -1.487 2.412 -0.341) 2.854 2.322 ( 1.070 -1.625 -1.182) 2.276 2.322 ( 1.070 1.625 -1.182) 2.276 2.433 ( -1.239 -2.209 -0.573) 2.597 2.433 ( -1.239 2.209 -0.573) 2.597 2.459 ( 0.885 -1.843 0.373) 2.079 2.459 ( 0.885 1.843 0.373) 2.079 2.583 ( 1.650 -2.920 -1.350) 3.616 2.583 ( 1.650 2.920 -1.350) 3.616 2.669 ( -0.186 -4.943 3.468) 6.041 2.669 ( -0.186 4.943 3.468) 6.041 2.742 ( 4.463 -2.561 1.748) 5.434 2.742 ( 4.463 2.561 1.748) 5.434 2.842 ( 3.237 -3.401 -3.649) 5.946 2.842 ( 3.237 3.401 -3.649) 5.946 2.895 ( -2.632 -0.268 -1.885) 3.248 2.895 ( -2.632 0.268 -1.885) 3.248 2.997 ( -2.110 -7.896 2.053) 8.427 2.997 ( -2.110 7.896 2.053) 8.427 3.204 ( -1.426 -5.397 -3.246) 6.458 3.204 ( -1.426 5.397 -3.246) 6.458 3.282 ( 0.131 -6.918 2.751) 7.446 3.282 ( 0.131 6.918 2.751) 7.446 3.490 ( 0.877 -3.908 0.706) 4.067 3.490 ( 0.877 3.908 0.706) 4.067 3.754 ( 7.607 -0.130 1.216) 7.705 3.754 ( 7.607 0.130 1.216) 7.705 4.034 ( 0.428 -0.574 -1.873) 2.005 4.034 ( 0.428 0.574 -1.873) 2.005 4.263 ( 0.233 -0.990 0.806) 1.298 4.263 ( 0.233 0.990 0.806) 1.298 4.444 ( -0.524 -2.239 -2.589) 3.463 4.444 ( -0.524 2.239 -2.589) 3.463 4.544 ( -1.770 -2.035 -0.653) 2.775 4.544 ( -1.770 2.035 -0.653) 2.775 4.768 ( -1.035 -2.725 1.879) 3.468 4.768 ( -1.035 2.725 1.879) 3.468 5.229 ( -2.858 -2.833 -0.160) 4.027 5.229 ( -2.858 2.833 -0.160) 4.027 5.371 ( 0.327 -2.559 0.334) 2.601 5.371 ( 0.327 2.559 0.334) 2.601 5.583 ( -3.548 -2.713 0.116) 4.468 5.583 ( -3.548 2.713 0.116) 4.468 5.852 ( 7.654 -1.504 -1.368) 7.919 5.852 ( 7.654 1.504 -1.368) 7.919 6.123 ( 0.806 -4.042 2.081) 4.617 6.123 ( 0.806 4.042 2.081) 4.617 6.331 ( -5.625 -3.739 -0.230) 6.759 6.331 ( -5.625 3.739 -0.230) 6.759 6.865 ( -5.917 -2.382 0.114) 6.379 6.865 ( -5.917 2.382 0.114) 6.379 7.330 ( -3.296 -2.390 5.213) 6.614 7.330 ( -3.296 2.390 5.213) 6.614 7.487 ( 3.203 -3.135 -5.000) 6.715 7.487 ( 3.203 3.135 -5.000) 6.715 7.792 ( -0.360 -0.942 0.309) 1.055 7.792 ( -0.360 0.942 0.309) 1.055 8.791 ( -0.323 -3.518 -2.814) 4.517 8.791 ( -0.323 3.518 -2.814) 4.517 8.904 ( 5.777 -2.668 0.781) 6.411 8.904 ( 5.777 2.668 0.781) 6.411 9.620 ( 4.111 -3.186 0.281) 5.209 9.620 ( 4.111 3.186 0.281) 5.209 9.987 ( -6.643 -2.429 1.203) 7.174 9.987 ( -6.643 2.429 1.203) 7.174 11.361 ( -2.005 -1.016 0.025) 2.248 11.361 ( -2.005 1.016 0.025) 2.248 12.558 ( 1.327 -0.585 0.034) 1.451 12.558 ( 1.327 0.585 0.034) 1.451 12.767 ( -1.432 -1.847 -0.020) 2.337 12.767 ( -1.432 1.847 -0.020) 2.337 13.024 ( -0.135 -0.650 -0.067) 0.668 13.024 ( -0.135 0.650 -0.067) 0.668 13.464 ( 0.172 -3.210 0.011) 3.214 13.464 ( 0.172 3.210 0.011) 3.214 14.263 ( 1.403 -0.136 -0.079) 1.412 14.263 ( 1.403 0.136 -0.079) 1.412 14.806 ( -1.918 -5.385 -0.328) 5.725 14.806 ( -1.918 5.385 -0.328) 5.725 15.047 ( 4.054 -0.900 -0.224) 4.159 15.047 ( 4.054 0.900 -0.224) 4.159 15.513 ( -2.265 -0.449 1.332) 2.666 15.513 ( -2.265 0.449 1.332) 2.666 15.626 ( 2.493 -0.300 -1.219) 2.791 15.626 ( 2.493 0.300 -1.219) 2.791 16.031 ( 2.394 -1.355 0.345) 2.772 16.031 ( 2.394 1.355 0.345) 2.772 16.459 ( 0.167 -2.533 0.130) 2.542 16.459 ( 0.167 2.533 0.130) 2.542 16.690 ( -2.733 -7.244 -0.164) 7.744 16.690 ( -2.733 7.244 -0.164) 7.744 19.641 ( -0.304 -0.597 -0.027) 0.671 19.641 ( -0.304 0.597 -0.027) 0.671 19.752 ( 0.153 -3.876 0.054) 3.879 19.752 ( 0.153 3.876 0.054) 3.879 ======================= Grid point 32 (19/70) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.590 -1.133 0.498) 1.371 0.918 ( 0.590 1.133 0.498) 1.371 1.034 ( 2.831 -2.155 -1.547) 3.880 1.034 ( 2.831 2.155 -1.547) 3.880 1.169 ( -1.277 -4.800 0.234) 4.973 1.169 ( -1.277 4.800 0.234) 4.973 1.357 ( 2.261 -3.151 0.280) 3.888 1.357 ( 2.261 3.151 0.280) 3.888 1.453 ( 3.629 -1.701 1.056) 4.145 1.453 ( 3.629 1.701 1.056) 4.145 1.606 ( -1.275 -1.418 -0.638) 2.011 1.606 ( -1.275 1.418 -0.638) 2.011 1.688 ( 0.763 -3.029 -3.515) 4.702 1.688 ( 0.763 3.029 -3.515) 4.702 1.707 ( -2.481 -2.332 -0.672) 3.470 1.707 ( -2.481 2.332 -0.672) 3.470 1.890 ( -1.506 -1.325 3.892) 4.378 1.890 ( -1.506 1.325 3.892) 4.378 1.922 ( -0.562 -0.645 5.163) 5.234 1.922 ( -0.562 0.645 5.163) 5.234 2.040 ( 0.803 -2.096 -0.860) 2.404 2.040 ( 0.803 2.096 -0.860) 2.404 2.103 ( -0.726 -2.645 -2.705) 3.852 2.103 ( -0.726 2.645 -2.705) 3.852 2.179 ( 1.485 -2.603 1.444) 3.327 2.179 ( 1.485 2.603 1.444) 3.327 2.341 ( 0.407 -0.670 -0.563) 0.965 2.341 ( 0.407 0.670 -0.563) 0.965 2.374 ( 0.004 -1.300 -2.256) 2.603 2.374 ( 0.004 1.300 -2.256) 2.603 2.483 ( 0.512 -1.664 3.217) 3.658 2.483 ( 0.512 1.664 3.217) 3.658 2.624 ( 2.175 -2.309 -1.433) 3.481 2.624 ( 2.175 2.309 -1.433) 3.481 2.694 ( 0.862 -5.695 1.465) 5.943 2.694 ( 0.862 5.695 1.465) 5.943 2.780 ( -2.029 -0.656 -3.968) 4.504 2.780 ( -2.029 0.656 -3.968) 4.504 2.832 ( 1.031 -0.692 -4.019) 4.206 2.832 ( 1.031 0.692 -4.019) 4.206 2.865 ( 0.896 -4.296 3.146) 5.400 2.865 ( 0.896 4.296 3.146) 5.400 3.010 ( 0.715 -5.993 1.442) 6.206 3.010 ( 0.715 5.993 1.442) 6.206 3.126 ( -3.161 -4.700 -1.721) 5.920 3.126 ( -3.161 4.700 -1.721) 5.920 3.327 ( 1.652 -7.637 1.050) 7.884 3.327 ( 1.652 7.637 1.050) 7.884 3.550 ( 3.883 -4.276 1.249) 5.910 3.550 ( 3.883 4.276 1.249) 5.910 3.846 ( 1.614 -1.059 0.796) 2.088 3.846 ( 1.614 1.059 0.796) 2.088 4.046 ( 2.884 -2.052 -1.670) 3.914 4.046 ( 2.884 2.052 -1.670) 3.914 4.268 ( 0.672 -1.925 -1.225) 2.378 4.268 ( 0.672 1.925 -1.225) 2.378 4.425 ( 0.024 -1.371 0.534) 1.471 4.425 ( 0.024 1.371 0.534) 1.471 4.529 ( 0.003 -2.238 0.862) 2.399 4.529 ( 0.003 2.238 0.862) 2.399 4.711 ( -6.194 -1.264 -0.596) 6.350 4.711 ( -6.194 1.264 -0.596) 6.350 5.198 ( -0.425 -3.600 -0.413) 3.648 5.198 ( -0.425 3.600 -0.413) 3.648 5.372 ( -0.145 -1.092 0.657) 1.282 5.372 ( -0.145 1.092 0.657) 1.282 5.566 ( 1.281 -2.451 -0.191) 2.773 5.566 ( 1.281 2.451 -0.191) 2.773 5.874 ( -3.657 -2.884 -0.048) 4.657 5.874 ( -3.657 2.884 -0.048) 4.657 6.137 ( -4.117 -8.048 0.988) 9.093 6.137 ( -4.117 8.048 0.988) 9.093 6.332 ( 8.983 -1.387 0.874) 9.132 6.332 ( 8.983 1.387 0.874) 9.132 6.804 ( -1.131 -1.645 -0.013) 1.996 6.804 ( -1.131 1.645 -0.013) 1.996 7.209 ( -12.306 -2.493 -1.310) 12.624 7.209 ( -12.306 2.493 -1.310) 12.624 7.487 ( 0.849 -2.432 0.059) 2.577 7.487 ( 0.849 2.432 0.059) 2.577 7.832 ( 2.808 -1.230 0.886) 3.191 7.832 ( 2.808 1.230 0.886) 3.191 8.749 ( -1.131 -2.278 -2.098) 3.297 8.749 ( -1.131 2.278 -2.098) 3.297 9.057 ( 9.901 -3.831 0.492) 10.628 9.057 ( 9.901 3.831 0.492) 10.628 9.680 ( 1.838 -4.246 -1.132) 4.763 9.680 ( 1.838 4.246 -1.132) 4.763 9.869 ( -7.439 -1.673 2.180) 7.931 9.869 ( -7.439 1.673 2.180) 7.931 11.325 ( -1.936 -1.055 0.019) 2.205 11.325 ( -1.936 1.055 0.018) 2.205 12.587 ( 1.835 -0.724 0.068) 1.974 12.587 ( 1.835 0.724 0.068) 1.974 12.737 ( -1.819 -1.426 -0.052) 2.312 12.737 ( -1.819 1.426 -0.052) 2.312 13.021 ( -0.125 -0.468 -0.080) 0.491 13.021 ( -0.125 0.468 -0.080) 0.491 13.467 ( 0.144 -3.270 0.019) 3.273 13.467 ( 0.144 3.270 0.019) 3.273 14.287 ( 1.341 -0.362 -0.146) 1.397 14.287 ( 1.341 0.362 -0.146) 1.397 14.769 ( -1.714 -3.672 -0.200) 4.057 14.769 ( -1.714 3.672 -0.200) 4.057 15.116 ( 3.524 -0.980 -0.233) 3.666 15.116 ( 3.524 0.980 -0.233) 3.666 15.490 ( -1.495 -1.001 0.785) 1.963 15.490 ( -1.495 1.001 0.785) 1.963 15.660 ( 2.163 -1.237 -0.476) 2.537 15.660 ( 2.163 1.237 -0.476) 2.537 16.081 ( 2.708 -1.407 0.083) 3.053 16.081 ( 2.708 1.407 0.083) 3.053 16.448 ( -1.466 -3.553 -0.149) 3.847 16.448 ( -1.466 3.553 -0.149) 3.847 16.646 ( -1.721 -3.766 0.147) 4.143 16.646 ( -1.721 3.766 0.147) 4.143 19.635 ( -0.273 -0.621 -0.028) 0.679 19.635 ( -0.273 0.621 -0.028) 0.679 19.756 ( 0.136 -3.815 0.066) 3.818 19.756 ( 0.136 3.815 0.066) 3.818 ======================= Grid point 34 (20/70) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.000 -2.875 -0.000) 2.875 0.922 ( 0.000 2.875 0.000) 2.875 1.054 ( 0.000 -0.927 -0.000) 0.927 1.054 ( -0.000 0.927 0.000) 0.927 1.157 ( 0.000 -4.948 0.000) 4.948 1.157 ( 0.000 4.948 -0.000) 4.948 1.383 ( 0.000 -5.042 0.000) 5.042 1.383 ( 0.000 5.042 0.000) 5.042 1.518 ( -0.000 -0.032 -0.000) 0.032 1.518 ( 0.000 0.032 0.000) 0.032 1.578 ( 0.000 -2.801 -0.000) 2.801 1.578 ( 0.000 2.801 0.000) 2.801 1.652 ( 0.000 -4.785 -0.000) 4.785 1.652 ( 0.000 4.785 0.000) 4.785 1.675 ( 0.000 -0.986 0.000) 0.986 1.675 ( 0.000 0.986 0.000) 0.986 1.925 ( 0.000 -4.256 0.000) 4.256 1.925 ( 0.000 4.256 -0.000) 4.256 1.990 ( 0.000 -1.688 0.000) 1.688 1.990 ( 0.000 1.688 0.000) 1.688 1.998 ( -0.000 -0.208 -0.000) 0.208 1.998 ( 0.000 0.208 -0.000) 0.208 2.082 ( 0.000 -1.477 0.000) 1.477 2.082 ( 0.000 1.477 0.000) 1.477 2.186 ( 0.000 -0.519 -0.000) 0.519 2.186 ( 0.000 0.519 0.000) 0.519 2.296 ( 0.000 -1.395 -0.000) 1.395 2.296 ( 0.000 1.395 -0.000) 1.395 2.430 ( 0.000 -1.780 0.000) 1.780 2.430 ( 0.000 1.780 0.000) 1.780 2.511 ( 0.000 -2.908 0.000) 2.908 2.511 ( 0.000 2.908 -0.000) 2.908 2.617 ( 0.000 -2.411 0.000) 2.411 2.617 ( 0.000 2.411 0.000) 2.411 2.702 ( 0.000 -4.040 0.000) 4.040 2.702 ( 0.000 4.040 -0.000) 4.040 2.742 ( 0.000 -0.981 0.000) 0.981 2.742 ( -0.000 0.981 0.000) 0.981 2.811 ( 0.000 -0.960 -0.000) 0.960 2.811 ( 0.000 0.960 -0.000) 0.960 2.895 ( 0.000 -4.056 -0.000) 4.056 2.895 ( 0.000 4.056 0.000) 4.056 3.030 ( 0.000 -2.006 0.000) 2.006 3.030 ( 0.000 2.006 -0.000) 2.006 3.085 ( 0.000 -1.632 0.000) 1.632 3.085 ( 0.000 1.632 0.000) 1.632 3.347 ( 0.000 -8.615 -0.000) 8.615 3.347 ( 0.000 8.615 0.000) 8.615 3.599 ( 0.000 -3.787 -0.000) 3.787 3.599 ( 0.000 3.787 0.000) 3.787 3.856 ( 0.000 -0.098 0.000) 0.098 3.856 ( 0.000 0.098 -0.000) 0.098 4.067 ( 0.000 -1.965 0.000) 1.965 4.067 ( 0.000 1.965 -0.000) 1.965 4.271 ( 0.000 -2.691 0.000) 2.691 4.271 ( 0.000 2.691 0.000) 2.691 4.437 ( 0.000 -0.700 0.000) 0.700 4.437 ( 0.000 0.700 0.000) 0.700 4.558 ( -0.000 -0.542 -0.000) 0.542 4.558 ( 0.000 0.542 0.000) 0.542 4.609 ( 0.000 -0.512 0.000) 0.512 4.609 ( -0.000 0.512 -0.000) 0.512 5.194 ( 0.000 -4.077 0.000) 4.077 5.194 ( 0.000 4.077 0.000) 4.077 5.376 ( 0.000 -0.525 0.000) 0.525 5.376 ( 0.000 0.525 -0.000) 0.525 5.593 ( 0.000 -3.360 0.000) 3.360 5.593 ( 0.000 3.360 0.000) 3.360 5.816 ( 0.000 -3.952 0.000) 3.952 5.816 ( 0.000 3.952 -0.000) 3.952 6.094 ( 0.000 -7.601 0.000) 7.601 6.094 ( 0.000 7.601 -0.000) 7.601 6.466 ( 0.000 -0.360 0.000) 0.360 6.466 ( 0.000 0.360 0.000) 0.360 6.807 ( 0.000 -0.908 -0.000) 0.908 6.807 ( 0.000 0.908 0.000) 0.908 7.041 ( -0.000 -4.007 0.000) 4.007 7.041 ( 0.000 4.007 0.000) 4.007 7.499 ( 0.000 -3.905 0.000) 3.905 7.499 ( 0.000 3.905 -0.000) 3.905 7.863 ( 0.000 -0.077 0.000) 0.077 7.863 ( 0.000 0.077 -0.000) 0.077 8.727 ( 0.000 -1.761 0.000) 1.761 8.727 ( 0.000 1.761 0.000) 1.761 9.169 ( 0.000 -2.079 -0.000) 2.079 9.169 ( 0.000 2.079 0.000) 2.079 9.663 ( 0.000 -5.388 0.000) 5.388 9.663 ( 0.000 5.388 0.000) 5.388 9.823 ( 0.000 -3.672 -0.000) 3.672 9.823 ( -0.000 3.672 0.000) 3.672 11.306 ( 0.000 -0.731 -0.000) 0.731 11.306 ( 0.000 0.731 0.000) 0.731 12.607 ( 0.000 -0.155 -0.000) 0.155 12.607 ( 0.000 0.155 -0.000) 0.155 12.717 ( 0.000 -1.084 0.000) 1.084 12.717 ( 0.000 1.084 0.000) 1.084 13.019 ( 0.000 -0.379 0.000) 0.379 13.019 ( 0.000 0.379 -0.000) 0.379 13.469 ( 0.000 -3.169 -0.000) 3.169 13.469 ( 0.000 3.169 0.000) 3.169 14.299 ( 0.000 -0.525 0.000) 0.525 14.299 ( 0.000 0.525 0.000) 0.525 14.753 ( 0.000 -2.942 -0.000) 2.942 14.753 ( 0.000 2.942 0.000) 2.942 15.147 ( 0.000 -0.670 0.000) 0.670 15.147 ( 0.000 0.670 -0.000) 0.670 15.481 ( 0.000 -1.281 -0.000) 1.281 15.481 ( 0.000 1.281 0.000) 1.281 15.678 ( 0.000 -1.852 0.000) 1.852 15.678 ( 0.000 1.852 0.000) 1.852 16.108 ( 0.000 -1.339 0.000) 1.339 16.108 ( 0.000 1.339 -0.000) 1.339 16.428 ( 0.000 -0.837 0.000) 0.837 16.428 ( 0.000 0.837 0.000) 0.837 16.635 ( 0.000 -0.029 0.000) 0.029 16.635 ( 0.000 0.029 -0.000) 0.029 19.632 ( 0.000 -0.696 -0.000) 0.696 19.632 ( 0.000 0.696 0.000) 0.696 19.757 ( 0.000 -3.788 0.000) 3.788 19.757 ( 0.000 3.788 0.000) 3.788 ======================= Grid point 63 (21/70) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( -3.114 0.000 17.137) 17.418 0.322 ( -2.849 0.000 17.188) 17.422 0.608 ( -9.652 0.000 31.699) 33.136 0.874 ( 0.701 0.000 -9.563) 9.589 0.880 ( 8.096 0.000 -11.405) 13.986 1.205 ( -5.111 0.000 4.311) 6.686 1.239 ( 0.075 0.000 -1.584) 1.585 1.267 ( -1.391 0.000 0.154) 1.399 1.277 ( -10.251 0.000 3.082) 10.704 1.426 ( -2.443 0.000 -2.238) 3.313 1.442 ( 2.591 0.000 1.283) 2.892 1.541 ( -3.130 0.000 -0.115) 3.132 1.582 ( -0.717 0.000 0.093) 0.723 1.592 ( 1.609 0.000 -2.441) 2.923 1.635 ( 4.133 0.000 -0.398) 4.153 1.711 ( 4.362 0.000 -7.268) 8.477 1.726 ( 0.290 0.000 -3.031) 3.045 1.769 ( -0.087 0.000 -11.757) 11.757 1.898 ( 1.211 0.000 -0.162) 1.222 2.018 ( -2.791 0.000 -3.903) 4.799 2.041 ( -3.372 0.000 9.471) 10.053 2.062 ( 1.919 0.000 4.731) 5.106 2.170 ( 3.935 0.000 2.154) 4.486 2.173 ( -1.970 0.000 6.604) 6.892 2.208 ( 2.766 0.000 2.303) 3.599 2.274 ( -5.484 0.000 -1.607) 5.714 2.316 ( -0.830 0.000 -0.974) 1.279 2.328 ( -1.572 0.000 2.140) 2.655 2.393 ( 0.784 0.000 1.438) 1.638 2.437 ( -1.804 0.000 -2.258) 2.890 2.465 ( 1.402 0.000 0.643) 1.542 2.530 ( 4.012 0.000 -6.100) 7.301 2.590 ( 4.285 0.000 6.734) 7.982 2.592 ( -7.616 0.000 -6.085) 9.748 2.631 ( 6.938 0.000 -10.177) 12.317 2.671 ( 0.317 0.000 1.753) 1.781 2.719 ( 0.925 0.000 1.236) 1.544 2.776 ( 1.973 0.000 -4.150) 4.595 2.781 ( -2.032 0.000 -0.693) 2.147 2.818 ( -2.477 0.000 2.066) 3.226 2.861 ( -3.208 0.000 -6.588) 7.327 2.879 ( -1.099 0.000 1.923) 2.215 2.911 ( 1.391 0.000 1.313) 1.913 2.917 ( 0.870 0.000 -1.035) 1.352 3.169 ( 2.199 0.000 5.376) 5.808 3.177 ( -4.719 0.000 5.314) 7.106 3.310 ( 1.249 0.000 0.517) 1.352 3.376 ( 0.835 0.000 -1.559) 1.769 3.496 ( -3.600 0.000 5.042) 6.195 3.668 ( 1.584 0.000 -4.237) 4.523 3.711 ( -0.412 0.000 2.536) 2.569 3.853 ( -3.246 0.000 -0.979) 3.390 4.084 ( 0.576 0.000 -0.719) 0.922 4.152 ( -0.132 0.000 -3.030) 3.033 4.159 ( -2.006 0.000 1.755) 2.665 4.225 ( 2.154 0.000 -0.805) 2.300 4.375 ( 0.495 0.000 0.069) 0.500 4.380 ( 0.961 0.000 0.054) 0.963 4.581 ( -0.366 0.000 0.614) 0.714 4.657 ( 1.185 0.000 -3.663) 3.850 5.065 ( -5.367 0.000 9.669) 11.059 5.297 ( -9.039 0.000 -2.655) 9.421 5.302 ( 0.756 0.000 1.612) 1.780 5.340 ( 3.671 0.000 0.603) 3.720 5.373 ( -1.871 0.000 4.941) 5.283 5.594 ( 3.892 0.000 -2.224) 4.482 5.674 ( -2.570 0.000 0.051) 2.571 5.702 ( -9.546 0.000 5.067) 10.807 5.852 ( 15.094 0.000 -10.642) 18.468 6.011 ( 8.741 0.000 -8.814) 12.414 6.141 ( 1.746 0.000 0.573) 1.837 6.198 ( 1.880 0.000 0.379) 1.918 6.505 ( -8.892 0.000 2.467) 9.228 6.731 ( -0.966 0.000 -0.198) 0.986 6.749 ( -6.130 0.000 2.624) 6.668 7.098 ( -11.234 0.000 8.694) 14.205 7.165 ( 26.813 0.000 -10.546) 28.812 7.319 ( 9.026 0.000 -2.599) 9.392 7.533 ( -4.419 0.000 7.407) 8.625 7.645 ( -9.564 0.000 9.582) 13.538 7.814 ( 3.392 0.000 -5.592) 6.540 7.977 ( 7.231 0.000 -6.336) 9.614 8.761 ( -11.379 0.000 2.744) 11.705 8.776 ( 5.197 0.000 4.335) 6.768 8.881 ( 43.592 0.000 -2.571) 43.668 9.003 ( 1.354 0.000 -4.849) 5.034 9.236 ( 1.503 0.000 0.006) 1.503 9.318 ( 2.341 0.000 -2.377) 3.336 9.880 ( -3.264 0.000 4.731) 5.748 9.969 ( 0.048 0.000 0.243) 0.248 11.355 ( -1.262 0.000 1.388) 1.876 11.464 ( 2.566 0.000 -3.468) 4.314 12.521 ( -0.797 0.000 0.593) 0.993 12.560 ( 1.361 0.000 -1.349) 1.916 12.708 ( -1.289 0.000 1.388) 1.894 12.747 ( 0.455 0.000 -0.561) 0.723 13.012 ( 0.331 0.000 -0.349) 0.481 13.015 ( 0.177 0.000 -0.299) 0.348 13.309 ( -3.384 0.000 5.839) 6.748 13.544 ( -1.288 0.000 -4.671) 4.846 14.266 ( 0.002 0.000 1.160) 1.160 14.315 ( -0.081 0.000 -0.974) 0.977 14.905 ( -2.574 0.000 1.397) 2.928 14.970 ( 13.497 0.000 -1.452) 13.575 15.259 ( 3.367 0.000 1.282) 3.603 15.332 ( -39.489 0.000 -2.085) 39.544 15.487 ( -14.134 0.000 1.003) 14.170 15.504 ( 1.347 0.000 -0.543) 1.453 15.518 ( 0.694 0.000 -0.232) 0.732 15.525 ( 3.495 0.000 0.159) 3.499 15.900 ( -1.211 0.000 0.507) 1.313 15.913 ( 0.515 0.000 -0.144) 0.535 16.400 ( -3.687 0.000 2.537) 4.476 16.487 ( 2.949 0.000 -0.938) 3.094 16.489 ( 18.089 0.000 0.640) 18.100 16.549 ( -2.778 0.000 -2.261) 3.582 19.679 ( -5.541 0.000 -0.223) 5.545 19.687 ( 2.835 0.000 -0.432) 2.868 19.873 ( -27.387 0.000 3.841) 27.655 20.032 ( 3.845 0.000 -3.257) 5.039 ======================= Grid point 64 (22/70) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( 3.498 0.000 13.130) 13.588 0.534 ( 7.861 0.000 13.169) 15.337 0.742 ( -8.631 0.000 -16.155) 18.316 0.805 ( 7.800 0.000 -9.761) 12.495 0.999 ( 9.682 0.000 21.956) 23.996 1.182 ( -5.488 0.000 2.880) 6.198 1.188 ( 0.227 0.000 3.250) 3.258 1.234 ( -2.237 0.000 4.243) 4.796 1.301 ( 4.000 0.000 0.035) 4.000 1.369 ( -2.493 0.000 -2.559) 3.573 1.491 ( -1.709 0.000 -1.333) 2.168 1.496 ( 0.354 0.000 4.071) 4.086 1.531 ( 1.152 0.000 -6.567) 6.667 1.617 ( 2.802 0.000 -0.649) 2.876 1.652 ( -2.029 0.000 -1.436) 2.486 1.697 ( -0.903 0.000 -2.559) 2.714 1.744 ( 4.589 0.000 -3.593) 5.828 1.751 ( 8.317 0.000 -7.955) 11.509 1.888 ( -6.401 0.000 -3.611) 7.350 1.947 ( 1.649 0.000 4.615) 4.901 2.025 ( -7.010 0.000 7.825) 10.506 2.061 ( -6.215 0.000 -1.373) 6.364 2.150 ( -1.131 0.000 4.982) 5.109 2.184 ( -0.220 0.000 -5.582) 5.587 2.225 ( -7.843 0.000 2.890) 8.359 2.255 ( -1.070 0.000 3.564) 3.721 2.312 ( 4.305 0.000 3.219) 5.375 2.372 ( 4.789 0.000 2.481) 5.394 2.404 ( -0.141 0.000 -2.574) 2.577 2.442 ( 1.635 0.000 3.862) 4.194 2.461 ( -1.656 0.000 -5.081) 5.344 2.540 ( 5.673 0.000 -1.305) 5.821 2.543 ( 2.230 0.000 -8.359) 8.652 2.681 ( 0.795 0.000 5.934) 5.987 2.684 ( 3.765 0.000 -3.652) 5.245 2.688 ( -3.783 0.000 -2.981) 4.816 2.719 ( -3.362 0.000 -2.405) 4.134 2.753 ( 4.835 0.000 -4.816) 6.825 2.772 ( 1.861 0.000 1.893) 2.654 2.802 ( 4.607 0.000 -4.574) 6.492 2.856 ( 1.558 0.000 2.783) 3.189 2.903 ( 2.548 0.000 1.997) 3.237 2.936 ( 2.813 0.000 1.335) 3.114 2.939 ( 1.272 0.000 -0.672) 1.439 3.143 ( -1.992 0.000 1.733) 2.641 3.253 ( 1.371 0.000 3.872) 4.108 3.340 ( 0.931 0.000 1.183) 1.505 3.395 ( 3.348 0.000 -3.268) 4.679 3.482 ( -3.807 0.000 3.549) 5.204 3.680 ( 3.842 0.000 -3.132) 4.957 3.750 ( 0.771 0.000 5.362) 5.417 3.791 ( -3.061 0.000 -1.290) 3.322 4.104 ( -0.097 0.000 1.035) 1.039 4.158 ( 1.751 0.000 0.073) 1.753 4.158 ( 3.935 0.000 -2.804) 4.832 4.250 ( 1.627 0.000 -1.832) 2.450 4.371 ( -0.708 0.000 -0.017) 0.708 4.382 ( 0.061 0.000 -0.999) 1.001 4.569 ( -1.893 0.000 1.048) 2.164 4.625 ( -0.723 0.000 -3.142) 3.224 4.960 ( -14.189 0.000 4.770) 14.969 5.039 ( -16.437 0.000 0.654) 16.450 5.318 ( -8.214 0.000 4.306) 9.275 5.384 ( 3.321 0.000 3.715) 4.983 5.393 ( -0.629 0.000 2.106) 2.198 5.550 ( -5.324 0.000 2.409) 5.844 5.618 ( -1.074 0.000 -0.862) 1.377 5.694 ( 6.914 0.000 -6.247) 9.318 5.913 ( 5.292 0.000 -4.494) 6.943 6.112 ( 5.120 0.000 -4.749) 6.983 6.221 ( 6.994 0.000 3.398) 7.776 6.325 ( 8.896 0.000 0.887) 8.940 6.373 ( -5.377 0.000 -0.959) 5.462 6.599 ( -3.862 0.000 2.076) 4.385 6.839 ( 10.263 0.000 -8.217) 13.147 6.998 ( -9.446 0.000 7.261) 11.914 7.331 ( -20.948 0.000 9.319) 22.927 7.411 ( 11.125 0.000 -3.579) 11.687 7.520 ( 19.633 0.000 -11.352) 22.679 7.577 ( -9.865 0.000 9.455) 13.665 7.696 ( -8.234 0.000 -5.777) 10.058 7.860 ( -15.054 0.000 -2.665) 15.288 8.730 ( 9.681 0.000 -7.507) 12.250 8.750 ( -5.405 0.000 2.679) 6.032 8.966 ( 0.870 0.000 -4.453) 4.537 9.256 ( 6.437 0.000 -3.130) 7.158 9.299 ( 5.194 0.000 0.017) 5.194 9.352 ( 4.052 0.000 -2.439) 4.729 9.790 ( -11.542 0.000 4.533) 12.400 9.913 ( -2.522 0.000 -2.391) 3.475 11.315 ( -4.467 0.000 1.144) 4.611 11.436 ( -1.925 0.000 -2.965) 3.536 12.498 ( -1.705 0.000 -0.037) 1.706 12.540 ( -1.873 0.000 -1.171) 2.209 12.706 ( -0.272 0.000 0.929) 0.968 12.711 ( -3.279 0.000 2.487) 4.116 13.006 ( -0.553 0.000 -0.336) 0.647 13.013 ( 0.263 0.000 -0.559) 0.618 13.341 ( -0.258 0.000 6.042) 6.048 13.538 ( 3.919 0.000 -2.685) 4.750 14.291 ( 1.213 0.000 1.431) 1.876 14.314 ( 1.270 0.000 -1.198) 1.746 14.797 ( -15.144 0.000 9.761) 18.017 14.849 ( -3.525 0.000 -0.941) 3.649 15.269 ( 10.696 0.000 -4.174) 11.481 15.336 ( 1.280 0.000 3.664) 3.881 15.425 ( -1.290 0.000 -0.500) 1.383 15.491 ( -1.295 0.000 -0.159) 1.305 15.561 ( 3.140 0.000 -1.382) 3.431 15.705 ( 10.760 0.000 5.871) 12.258 15.907 ( 0.931 0.000 0.602) 1.108 15.956 ( 4.175 0.000 1.186) 4.340 16.368 ( -1.532 0.000 -0.031) 1.532 16.382 ( -7.903 0.000 -3.747) 8.747 16.590 ( 5.837 0.000 -2.189) 6.234 16.636 ( 3.736 0.000 -2.837) 4.691 19.609 ( 0.920 0.000 -1.002) 1.360 19.736 ( 1.934 0.000 0.593) 2.022 19.798 ( -2.327 0.000 7.483) 7.837 20.134 ( 8.307 0.000 1.633) 8.466 ======================= Grid point 65 (23/70) ======================= q-point: ( 0.33 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -3.622 0.000 -11.207) 11.778 0.620 ( 7.990 0.000 6.764) 10.469 0.805 ( 8.992 0.000 10.138) 13.551 0.870 ( 9.810 0.000 -8.251) 12.818 1.134 ( -9.150 0.000 -1.404) 9.257 1.140 ( -4.224 0.000 3.091) 5.234 1.230 ( -2.427 0.000 2.013) 3.153 1.251 ( 5.227 0.000 -1.589) 5.463 1.310 ( -1.750 0.000 2.325) 2.910 1.369 ( 1.291 0.000 2.292) 2.630 1.499 ( 0.143 0.000 7.937) 7.939 1.532 ( 3.544 0.000 -5.770) 6.772 1.534 ( -1.586 0.000 2.869) 3.278 1.579 ( -3.198 0.000 -0.110) 3.200 1.648 ( -2.338 0.000 -1.494) 2.775 1.681 ( 4.008 0.000 0.827) 4.092 1.751 ( -0.025 0.000 -0.316) 0.317 1.755 ( -1.088 0.000 -4.683) 4.808 1.827 ( 3.015 0.000 -2.062) 3.653 1.948 ( -1.323 0.000 -3.723) 3.951 1.998 ( -3.766 0.000 5.987) 7.073 2.046 ( 1.388 0.000 3.462) 3.730 2.162 ( -1.562 0.000 -1.039) 1.876 2.166 ( 4.695 0.000 -3.915) 6.113 2.182 ( 0.682 0.000 5.119) 5.165 2.257 ( -1.740 0.000 2.805) 3.301 2.309 ( -3.140 0.000 -2.712) 4.149 2.361 ( -3.575 0.000 -2.451) 4.334 2.399 ( 1.584 0.000 -2.011) 2.560 2.482 ( 3.436 0.000 0.714) 3.510 2.490 ( -0.664 0.000 -0.533) 0.852 2.546 ( 3.059 0.000 4.155) 5.160 2.589 ( -2.483 0.000 -1.127) 2.726 2.631 ( 4.448 0.000 -2.387) 5.048 2.634 ( -3.894 0.000 0.276) 3.904 2.660 ( -2.403 0.000 1.610) 2.892 2.729 ( 0.960 0.000 -6.164) 6.238 2.758 ( -2.534 0.000 2.592) 3.625 2.836 ( 3.329 0.000 1.014) 3.480 2.852 ( 11.115 0.000 -5.542) 12.420 2.918 ( 2.277 0.000 1.698) 2.840 2.947 ( 1.172 0.000 -1.806) 2.153 2.975 ( 2.901 0.000 -0.966) 3.058 2.992 ( -2.719 0.000 4.512) 5.268 3.195 ( 4.282 0.000 3.024) 5.242 3.280 ( -1.203 0.000 1.632) 2.028 3.361 ( -0.556 0.000 2.333) 2.399 3.405 ( -5.111 0.000 2.996) 5.925 3.455 ( 6.297 0.000 -5.239) 8.191 3.698 ( -3.130 0.000 -2.375) 3.928 3.739 ( 1.257 0.000 0.415) 1.324 3.817 ( 0.831 0.000 2.379) 2.520 4.110 ( 1.179 0.000 0.567) 1.308 4.204 ( 1.983 0.000 0.647) 2.086 4.209 ( 3.454 0.000 -2.637) 4.346 4.238 ( 1.227 0.000 -1.942) 2.298 4.363 ( 0.092 0.000 -0.347) 0.359 4.373 ( 0.714 0.000 -1.544) 1.701 4.542 ( -2.377 0.000 1.275) 2.698 4.584 ( -1.053 0.000 -1.834) 2.115 4.727 ( -10.500 0.000 -3.429) 11.046 4.750 ( -17.669 0.000 2.139) 17.798 5.239 ( -5.286 0.000 5.670) 7.752 5.405 ( 1.737 0.000 -2.259) 2.850 5.466 ( 4.001 0.000 -2.865) 4.920 5.496 ( -4.641 0.000 5.159) 6.939 5.648 ( 1.427 0.000 7.534) 7.667 5.762 ( 8.531 0.000 -8.094) 11.760 5.993 ( 8.732 0.000 -4.292) 9.730 5.999 ( -13.404 0.000 2.233) 13.589 6.251 ( -8.526 0.000 5.741) 10.279 6.435 ( 12.037 0.000 -0.758) 12.061 6.540 ( 15.311 0.000 -5.684) 16.332 6.658 ( 9.312 0.000 -3.650) 10.001 6.885 ( -3.749 0.000 -5.392) 6.567 6.953 ( 3.284 0.000 5.741) 6.614 7.052 ( -19.499 0.000 7.161) 20.772 7.436 ( -12.923 0.000 5.178) 13.922 7.500 ( -7.806 0.000 -2.694) 8.258 7.521 ( 3.654 0.000 -1.577) 3.980 7.600 ( -9.586 0.000 0.537) 9.601 7.768 ( 20.332 0.000 -11.781) 23.498 8.663 ( -7.401 0.000 2.782) 7.907 8.779 ( 3.948 0.000 -8.825) 9.667 9.042 ( 12.828 0.000 -3.508) 13.299 9.205 ( -10.268 0.000 5.806) 11.796 9.387 ( 4.472 0.000 -0.453) 4.495 9.438 ( 6.424 0.000 -2.245) 6.805 9.618 ( -13.627 0.000 6.416) 15.062 9.869 ( 3.007 0.000 -7.597) 8.170 11.246 ( -4.242 0.000 1.279) 4.431 11.361 ( -2.750 0.000 -2.630) 3.805 12.470 ( -1.045 0.000 -0.555) 1.183 12.497 ( -1.193 0.000 -1.430) 1.862 12.694 ( -1.688 0.000 2.250) 2.812 12.712 ( -0.084 0.000 0.662) 0.667 12.994 ( -0.376 0.000 -0.237) 0.444 13.012 ( 0.372 0.000 -0.830) 0.910 13.394 ( -0.792 0.000 5.815) 5.868 13.586 ( 4.087 0.000 -2.653) 4.873 14.324 ( 0.775 0.000 1.081) 1.330 14.332 ( 1.798 0.000 -0.939) 2.029 14.704 ( -6.720 0.000 6.143) 9.105 14.787 ( -1.646 0.000 -1.642) 2.325 15.372 ( -0.842 0.000 3.100) 3.212 15.373 ( 4.107 0.000 -1.455) 4.357 15.421 ( 0.821 0.000 2.315) 2.456 15.469 ( -0.714 0.000 -0.127) 0.725 15.593 ( 3.323 0.000 -3.244) 4.644 15.882 ( 3.699 0.000 3.050) 4.794 15.934 ( 0.790 0.000 1.471) 1.670 16.047 ( -0.079 0.000 3.104) 3.105 16.224 ( -1.858 0.000 -6.132) 6.408 16.342 ( 0.080 0.000 -2.675) 2.676 16.646 ( 0.132 0.000 0.233) 0.268 16.664 ( 3.774 0.000 -0.198) 3.779 19.630 ( 2.552 0.000 -1.974) 3.227 19.753 ( 0.491 0.000 -1.384) 1.469 19.849 ( -1.203 0.000 9.012) 9.092 20.271 ( 2.503 0.000 3.254) 4.106 ======================= Grid point 66 (24/70) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 10.298 0.000 7.539) 12.763 0.754 ( -0.906 0.000 7.613) 7.667 0.905 ( -11.618 0.000 -0.820) 11.647 0.966 ( 6.749 0.000 -2.167) 7.089 0.979 ( -6.827 0.000 -12.764) 14.475 0.998 ( 3.193 0.000 0.009) 3.193 1.226 ( 0.514 0.000 3.852) 3.886 1.287 ( -3.717 0.000 1.091) 3.873 1.343 ( 0.710 0.000 4.557) 4.612 1.362 ( -2.641 0.000 0.040) 2.641 1.465 ( -0.705 0.000 -2.315) 2.420 1.497 ( 0.993 0.000 -6.282) 6.360 1.577 ( -0.913 0.000 2.825) 2.969 1.611 ( 2.170 0.000 7.155) 7.477 1.615 ( 0.310 0.000 -2.842) 2.858 1.705 ( -1.409 0.000 -0.996) 1.725 1.759 ( 2.074 0.000 3.941) 4.453 1.760 ( 0.708 0.000 1.379) 1.550 1.845 ( 2.425 0.000 -3.565) 4.312 1.894 ( -1.358 0.000 -3.975) 4.201 1.990 ( -3.024 0.000 3.852) 4.897 2.041 ( -2.167 0.000 -0.929) 2.358 2.135 ( -1.134 0.000 0.587) 1.277 2.237 ( 0.472 0.000 2.318) 2.366 2.240 ( -3.934 0.000 2.167) 4.491 2.255 ( 1.140 0.000 -3.514) 3.695 2.282 ( 2.111 0.000 0.880) 2.287 2.289 ( 0.700 0.000 0.057) 0.702 2.394 ( 1.520 0.000 -2.362) 2.809 2.488 ( 2.523 0.000 2.483) 3.540 2.521 ( -3.354 0.000 -6.113) 6.972 2.577 ( 4.349 0.000 2.631) 5.082 2.609 ( 0.730 0.000 4.245) 4.307 2.612 ( -0.865 0.000 -1.693) 1.901 2.649 ( 2.694 0.000 6.988) 7.490 2.658 ( -0.517 0.000 -5.464) 5.488 2.702 ( -1.787 0.000 3.969) 4.353 2.757 ( 1.514 0.000 -1.347) 2.026 2.910 ( 1.614 0.000 2.504) 2.979 2.920 ( -4.229 0.000 -1.252) 4.411 2.939 ( -0.399 0.000 -0.550) 0.679 2.944 ( -0.558 0.000 0.673) 0.875 2.990 ( -1.078 0.000 -2.021) 2.291 3.008 ( 12.618 0.000 -7.626) 14.743 3.253 ( -1.900 0.000 -0.829) 2.073 3.275 ( 1.933 0.000 3.374) 3.889 3.317 ( -5.732 0.000 0.538) 5.758 3.347 ( -7.438 0.000 6.487) 9.870 3.559 ( 5.994 0.000 -0.338) 6.004 3.605 ( -1.219 0.000 -3.327) 3.544 3.782 ( 2.036 0.000 1.118) 2.323 3.787 ( -3.363 0.000 -2.439) 4.154 4.172 ( 5.863 0.000 -0.693) 5.904 4.216 ( -2.228 0.000 1.595) 2.741 4.226 ( 1.998 0.000 -0.251) 2.014 4.291 ( 4.020 0.000 -1.859) 4.429 4.345 ( -2.561 0.000 -0.468) 2.603 4.381 ( 1.693 0.000 -1.116) 2.028 4.479 ( -7.105 0.000 -0.810) 7.151 4.560 ( 2.861 0.000 -2.157) 3.583 4.562 ( -3.567 0.000 1.983) 4.081 4.629 ( 1.919 0.000 -2.194) 2.914 5.237 ( -3.199 0.000 7.108) 7.795 5.388 ( -1.412 0.000 -0.774) 1.611 5.481 ( 3.831 0.000 -4.642) 6.019 5.510 ( 2.287 0.000 0.646) 2.376 5.770 ( -12.437 0.000 1.719) 12.555 5.780 ( 1.112 0.000 8.454) 8.527 5.809 ( 3.461 0.000 -4.055) 5.331 6.096 ( 7.412 0.000 -5.389) 9.164 6.198 ( -4.614 0.000 6.260) 7.777 6.547 ( 7.201 0.000 -8.556) 11.183 6.669 ( -13.047 0.000 -2.672) 13.318 6.695 ( 4.878 0.000 -3.097) 5.778 6.820 ( 8.851 0.000 2.169) 9.113 6.855 ( -5.434 0.000 1.131) 5.551 7.167 ( 9.829 0.000 9.877) 13.935 7.243 ( -12.220 0.000 2.658) 12.506 7.415 ( 0.344 0.000 -1.432) 1.473 7.530 ( -4.212 0.000 4.622) 6.254 7.532 ( 1.041 0.000 -4.504) 4.623 7.941 ( 12.129 0.000 -12.403) 17.348 8.575 ( -4.898 0.000 2.552) 5.523 8.779 ( 6.165 0.000 -6.331) 8.837 9.069 ( -11.189 0.000 4.398) 12.022 9.231 ( 10.053 0.000 -3.209) 10.553 9.392 ( -6.120 0.000 1.652) 6.339 9.485 ( 1.130 0.000 -2.254) 2.521 9.515 ( -3.439 0.000 7.665) 8.401 9.862 ( 5.289 0.000 -8.737) 10.213 11.216 ( -0.492 0.000 1.611) 1.684 11.317 ( 1.087 0.000 -2.742) 2.950 12.455 ( 0.073 0.000 -0.778) 0.781 12.479 ( 0.726 0.000 -1.477) 1.646 12.690 ( -1.336 0.000 1.999) 2.405 12.715 ( -0.225 0.000 0.602) 0.643 12.990 ( 0.080 0.000 -0.093) 0.122 13.009 ( 0.387 0.000 -0.991) 1.064 13.417 ( -3.173 0.000 5.527) 6.373 13.614 ( 1.916 0.000 -2.479) 3.133 14.329 ( -1.082 0.000 0.404) 1.155 14.350 ( 0.865 0.000 -0.381) 0.945 14.664 ( -3.933 0.000 4.271) 5.806 14.773 ( 1.627 0.000 -0.945) 1.881 15.365 ( -2.453 0.000 1.506) 2.879 15.398 ( 1.239 0.000 -0.168) 1.250 15.473 ( 0.390 0.000 1.152) 1.217 15.488 ( 0.591 0.000 5.889) 5.919 15.618 ( 3.091 0.000 -1.832) 3.593 15.855 ( -5.807 0.000 -5.692) 8.132 15.951 ( -1.086 0.000 1.925) 2.210 16.018 ( -0.225 0.000 -0.970) 0.996 16.227 ( 3.099 0.000 -0.535) 3.145 16.324 ( 2.068 0.000 -4.414) 4.875 16.662 ( 0.371 0.000 2.028) 2.061 16.700 ( 0.225 0.000 0.184) 0.290 19.652 ( 1.631 0.000 -0.891) 1.859 19.732 ( -0.205 0.000 -3.077) 3.084 19.937 ( -0.848 0.000 12.961) 12.989 20.261 ( -3.257 0.000 -2.406) 4.049 ======================= Grid point 67 (25/70) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -16.785 0.000 -10.195) 19.639 0.581 ( -13.363 0.000 2.485) 13.592 0.843 ( 2.507 0.000 1.415) 2.879 0.849 ( -4.806 0.000 6.273) 7.902 1.039 ( 6.950 0.000 0.688) 6.984 1.071 ( 2.161 0.000 0.614) 2.246 1.166 ( -6.668 0.000 3.379) 7.475 1.261 ( -3.356 0.000 4.094) 5.294 1.329 ( -0.285 0.000 -0.598) 0.663 1.410 ( -1.562 0.000 -3.179) 3.543 1.421 ( 2.412 0.000 3.104) 3.931 1.486 ( 5.302 0.000 -4.326) 6.843 1.603 ( -1.385 0.000 3.843) 4.085 1.604 ( 2.632 0.000 -4.152) 4.916 1.687 ( 0.042 0.000 0.319) 0.321 1.688 ( 0.515 0.000 1.821) 1.892 1.766 ( -0.959 0.000 -4.590) 4.689 1.826 ( 0.608 0.000 3.235) 3.292 1.859 ( 2.166 0.000 -0.065) 2.167 1.861 ( 3.784 0.000 -2.379) 4.470 1.982 ( -1.873 0.000 4.877) 5.225 2.022 ( -0.710 0.000 0.121) 0.721 2.139 ( -1.198 0.000 5.017) 5.158 2.180 ( -1.905 0.000 -0.385) 1.943 2.218 ( 1.562 0.000 -1.878) 2.443 2.276 ( -0.911 0.000 0.505) 1.042 2.284 ( -0.174 0.000 2.457) 2.463 2.304 ( -0.046 0.000 -4.012) 4.013 2.416 ( -2.775 0.000 -3.394) 4.385 2.439 ( 3.071 0.000 1.247) 3.314 2.561 ( -2.612 0.000 -3.187) 4.120 2.578 ( -1.520 0.000 -5.154) 5.374 2.581 ( 2.620 0.000 4.352) 5.080 2.654 ( 2.013 0.000 0.507) 2.075 2.661 ( -4.080 0.000 -0.067) 4.080 2.691 ( 3.218 0.000 4.663) 5.665 2.753 ( 1.252 0.000 -4.573) 4.741 2.771 ( 1.301 0.000 4.098) 4.299 2.852 ( -1.569 0.000 -3.781) 4.094 2.901 ( -1.405 0.000 -2.362) 2.748 2.908 ( -0.439 0.000 -2.757) 2.792 2.944 ( -1.392 0.000 5.128) 5.313 2.957 ( -1.273 0.000 0.592) 1.404 3.076 ( 1.137 0.000 -5.367) 5.486 3.229 ( -1.241 0.000 -2.867) 3.124 3.236 ( -5.903 0.000 4.188) 7.238 3.253 ( -6.392 0.000 9.619) 11.549 3.343 ( 3.183 0.000 0.854) 3.295 3.607 ( -2.384 0.000 2.371) 3.363 3.619 ( 5.593 0.000 -4.441) 7.142 3.711 ( -2.807 0.000 0.036) 2.808 3.849 ( 3.654 0.000 3.516) 5.070 4.165 ( -4.581 0.000 1.459) 4.808 4.235 ( 0.446 0.000 -3.481) 3.510 4.266 ( 3.838 0.000 0.789) 3.918 4.285 ( -2.923 0.000 -0.836) 3.041 4.316 ( 1.595 0.000 -0.508) 1.674 4.375 ( 4.855 0.000 -12.611) 13.513 4.429 ( 1.149 0.000 3.492) 3.676 4.563 ( 0.731 0.000 0.393) 0.830 4.620 ( 3.906 0.000 -2.076) 4.424 4.744 ( 11.181 0.000 1.669) 11.305 5.254 ( -1.800 0.000 5.818) 6.090 5.370 ( 0.198 0.000 0.351) 0.403 5.485 ( -5.803 0.000 1.620) 6.025 5.563 ( 3.339 0.000 0.104) 3.341 5.623 ( -0.913 0.000 0.999) 1.353 5.794 ( -1.039 0.000 -3.558) 3.707 5.874 ( 4.222 0.000 -0.732) 4.285 6.069 ( -7.678 0.000 -1.064) 7.751 6.219 ( -0.422 0.000 6.199) 6.214 6.412 ( -12.857 0.000 -1.061) 12.900 6.587 ( 7.137 0.000 -8.257) 10.914 6.710 ( 8.092 0.000 -7.847) 11.272 6.793 ( -9.923 0.000 3.297) 10.457 6.977 ( -1.410 0.000 11.591) 11.677 7.161 ( 5.475 0.000 -5.920) 8.064 7.281 ( -7.814 0.000 9.264) 12.120 7.492 ( -0.087 0.000 -3.012) 3.013 7.510 ( 6.998 0.000 -3.068) 7.641 7.590 ( 14.477 0.000 0.942) 14.508 7.898 ( -2.992 0.000 -12.791) 13.136 8.555 ( 0.456 0.000 -1.807) 1.864 8.863 ( 9.595 0.000 -6.073) 11.355 8.909 ( -9.092 0.000 -0.980) 9.145 9.198 ( -12.824 0.000 5.912) 14.121 9.330 ( -3.125 0.000 0.182) 3.130 9.437 ( -3.641 0.000 -2.120) 4.213 9.630 ( 7.905 0.000 4.669) 9.181 9.877 ( 5.486 0.000 -7.031) 8.918 11.258 ( 2.917 0.000 1.847) 3.453 11.347 ( 5.521 0.000 -3.210) 6.386 12.460 ( 1.310 0.000 -0.485) 1.397 12.492 ( 2.431 0.000 -1.419) 2.815 12.686 ( -1.537 0.000 2.358) 2.815 12.716 ( -0.399 0.000 0.760) 0.858 12.994 ( 0.500 0.000 -0.097) 0.509 13.007 ( 0.476 0.000 -0.976) 1.086 13.394 ( -5.642 0.000 5.446) 7.842 13.606 ( 0.164 0.000 -2.147) 2.153 14.301 ( -2.207 0.000 0.166) 2.214 14.350 ( -0.614 0.000 -0.063) 0.617 14.655 ( -2.180 0.000 4.938) 5.398 14.819 ( 3.981 0.000 -0.070) 3.982 15.325 ( -3.399 0.000 0.662) 3.463 15.425 ( 1.581 0.000 0.648) 1.709 15.493 ( 0.264 0.000 1.449) 1.473 15.520 ( -0.556 0.000 0.322) 0.643 15.665 ( -6.567 0.000 -8.238) 10.535 15.704 ( 2.755 0.000 10.855) 11.199 15.935 ( -2.299 0.000 1.283) 2.633 15.985 ( -2.562 0.000 -1.006) 2.752 16.300 ( 5.796 0.000 -0.314) 5.805 16.323 ( 2.965 0.000 -5.520) 6.266 16.680 ( -2.101 0.000 -0.348) 2.129 16.684 ( 0.078 0.000 -0.045) 0.090 19.670 ( 0.730 0.000 0.618) 0.957 19.694 ( -0.213 0.000 -3.384) 3.391 20.088 ( 0.961 0.000 19.043) 19.067 20.153 ( -3.841 0.000 -5.317) 6.560 ======================= Grid point 68 (26/70) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.190 ( -13.065 0.000 -3.747) 13.591 0.365 ( -16.025 0.000 9.726) 18.746 0.739 ( -25.287 0.000 22.995) 34.179 0.842 ( 6.155 0.000 -9.949) 11.699 0.983 ( -4.127 0.000 -4.433) 6.057 1.201 ( 5.734 0.000 1.455) 5.916 1.228 ( -3.818 0.000 4.289) 5.742 1.233 ( 4.019 0.000 1.650) 4.344 1.362 ( 4.297 0.000 0.049) 4.297 1.397 ( 1.940 0.000 -0.463) 1.995 1.456 ( 2.105 0.000 -2.345) 3.151 1.559 ( 2.408 0.000 0.632) 2.489 1.595 ( -2.785 0.000 1.246) 3.051 1.602 ( 0.744 0.000 -2.219) 2.341 1.642 ( -2.598 0.000 -2.860) 3.864 1.708 ( 2.477 0.000 -2.290) 3.373 1.738 ( 0.644 0.000 -1.328) 1.476 1.849 ( 2.209 0.000 -3.745) 4.348 1.887 ( 2.161 0.000 -2.220) 3.098 1.939 ( 5.436 0.000 2.310) 5.906 2.007 ( 0.137 0.000 0.416) 0.438 2.034 ( -0.120 0.000 6.205) 6.206 2.141 ( -1.708 0.000 4.140) 4.478 2.188 ( -4.872 0.000 -6.600) 8.203 2.218 ( 2.124 0.000 3.475) 4.073 2.224 ( -2.461 0.000 -3.606) 4.366 2.273 ( 2.595 0.000 0.808) 2.718 2.317 ( 2.204 0.000 3.474) 4.114 2.386 ( 0.046 0.000 -0.241) 0.246 2.478 ( -0.176 0.000 2.228) 2.235 2.481 ( -0.944 0.000 1.284) 1.593 2.547 ( -4.901 0.000 -1.092) 5.021 2.615 ( -2.211 0.000 -1.936) 2.939 2.618 ( 3.842 0.000 -4.702) 6.073 2.668 ( 0.308 0.000 -0.115) 0.329 2.711 ( -3.176 0.000 0.016) 3.176 2.718 ( 0.425 0.000 -4.245) 4.266 2.799 ( 2.006 0.000 -6.683) 6.977 2.811 ( 2.734 0.000 1.409) 3.076 2.877 ( -0.388 0.000 -2.481) 2.511 2.877 ( -1.225 0.000 1.809) 2.185 2.931 ( -1.517 0.000 -0.444) 1.581 2.965 ( -1.729 0.000 -2.817) 3.306 3.013 ( -4.849 0.000 0.492) 4.874 3.154 ( -3.577 0.000 -2.680) 4.469 3.196 ( -5.124 0.000 6.637) 8.385 3.303 ( 0.706 0.000 0.766) 1.042 3.384 ( 1.142 0.000 -0.896) 1.452 3.539 ( -7.213 0.000 4.513) 8.509 3.674 ( 3.981 0.000 -2.553) 4.729 3.700 ( -0.298 0.000 1.308) 1.341 3.931 ( 1.267 0.000 -2.446) 2.754 4.119 ( -1.764 0.000 0.015) 1.764 4.211 ( 0.340 0.000 -1.401) 1.441 4.214 ( -2.904 0.000 -2.919) 4.117 4.254 ( -3.425 0.000 -14.947) 15.335 4.343 ( 4.295 0.000 -2.398) 4.920 4.350 ( 2.194 0.000 -0.119) 2.198 4.565 ( 2.257 0.000 1.913) 2.958 4.654 ( 3.003 0.000 -3.159) 4.359 4.683 ( 21.916 0.000 25.895) 33.924 4.955 ( 7.780 0.000 5.457) 9.503 5.298 ( -0.297 0.000 5.359) 5.367 5.371 ( -6.497 0.000 2.754) 7.057 5.424 ( 5.708 0.000 2.614) 6.278 5.616 ( -8.510 0.000 8.751) 12.206 5.670 ( 1.860 0.000 0.853) 2.046 5.686 ( 4.527 0.000 -16.775) 17.375 5.882 ( -13.736 0.000 3.239) 14.113 5.943 ( 9.169 0.000 -7.805) 12.041 6.213 ( -10.686 0.000 2.179) 10.906 6.233 ( -4.041 0.000 2.486) 4.744 6.637 ( -10.959 0.000 4.612) 11.890 6.646 ( 9.872 0.000 -9.334) 13.586 6.816 ( 15.392 0.000 -11.668) 19.315 6.934 ( -17.811 0.000 15.405) 23.549 7.202 ( -10.815 0.000 9.165) 14.176 7.223 ( 7.278 0.000 -5.837) 9.330 7.522 ( 3.730 0.000 3.385) 5.037 7.622 ( -14.055 0.000 -4.471) 14.749 7.674 ( 16.848 0.000 -7.357) 18.384 7.841 ( 13.499 0.000 -3.090) 13.848 8.446 ( -9.218 0.000 -1.785) 9.389 8.803 ( -2.388 0.000 1.679) 2.920 8.927 ( -0.982 0.000 -2.978) 3.136 9.031 ( -9.296 0.000 5.095) 10.600 9.259 ( -3.922 0.000 0.089) 3.923 9.350 ( -3.352 0.000 -1.685) 3.751 9.806 ( 5.904 0.000 4.491) 7.418 9.915 ( 4.763 0.000 -2.633) 5.443 11.328 ( 2.390 0.000 1.765) 2.971 11.420 ( 6.135 0.000 -3.600) 7.113 12.494 ( 2.349 0.000 0.852) 2.499 12.529 ( 3.296 0.000 -1.458) 3.604 12.694 ( 0.034 0.000 3.407) 3.407 12.715 ( -0.883 0.000 1.168) 1.464 13.004 ( 0.802 0.000 -0.260) 0.843 13.008 ( 0.664 0.000 -0.573) 0.877 13.341 ( -6.304 0.000 5.564) 8.409 13.590 ( 1.075 0.000 -3.264) 3.436 14.270 ( -1.507 0.000 0.652) 1.641 14.332 ( -0.992 0.000 -0.379) 1.062 14.717 ( 3.286 0.000 9.246) 9.812 14.889 ( 2.640 0.000 1.285) 2.936 15.261 ( -3.276 0.000 -0.814) 3.376 15.461 ( 1.576 0.000 0.352) 1.615 15.495 ( -0.508 0.000 -2.128) 2.188 15.500 ( -0.359 0.000 -1.176) 1.229 15.527 ( -1.405 0.000 -2.852) 3.179 15.893 ( 0.055 0.000 0.446) 0.449 15.933 ( -2.157 0.000 -0.545) 2.225 15.974 ( 7.788 0.000 20.463) 21.895 16.279 ( -0.131 0.000 -14.774) 14.774 16.402 ( 6.564 0.000 -1.218) 6.676 16.589 ( -10.028 0.000 -8.172) 12.936 16.627 ( -3.594 0.000 -0.473) 3.625 19.669 ( 0.980 0.000 -2.521) 2.704 19.689 ( 0.061 0.000 1.745) 1.746 20.054 ( -1.285 0.000 -4.878) 5.044 20.325 ( 4.281 0.000 6.160) 7.502 ======================= Grid point 69 (27/70) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 2.116 10.166 11.150) 15.236 0.481 ( -9.169 11.921 11.505) 18.936 0.849 ( 1.526 9.135 0.842) 9.300 0.897 ( -0.054 4.713 -6.939) 8.388 0.980 ( 2.463 14.382 1.947) 14.721 1.180 ( -2.554 -2.261 -3.144) 4.639 1.228 ( -3.896 1.163 8.144) 9.102 1.266 ( -1.510 2.125 0.869) 2.748 1.339 ( -1.492 3.662 1.495) 4.228 1.409 ( -0.892 -1.781 3.367) 3.912 1.454 ( -0.236 2.667 -2.885) 3.935 1.530 ( 0.789 0.467 -0.878) 1.270 1.551 ( 2.283 -3.206 0.353) 3.951 1.637 ( 1.690 1.378 -1.726) 2.781 1.648 ( 0.788 2.842 -1.967) 3.545 1.715 ( -0.402 1.629 -0.764) 1.843 1.768 ( 1.573 3.087 -4.533) 5.705 1.823 ( -1.418 3.193 -8.529) 9.216 1.906 ( 2.095 1.343 -0.150) 2.493 1.941 ( -2.140 -5.127 4.632) 7.233 2.014 ( -4.597 -3.516 -3.728) 6.884 2.069 ( 4.521 -1.580 2.735) 5.516 2.146 ( 1.887 -0.701 4.679) 5.094 2.184 ( 0.788 1.582 3.036) 3.513 2.203 ( -5.201 -3.093 2.502) 6.548 2.226 ( 2.614 -1.050 1.138) 3.038 2.302 ( -3.640 0.198 -0.846) 3.742 2.347 ( 1.707 -2.129 1.172) 2.969 2.373 ( 0.627 0.575 -0.403) 0.941 2.435 ( -1.745 -1.080 -0.961) 2.266 2.449 ( 0.530 -2.455 -0.308) 2.531 2.527 ( -2.467 -2.484 -3.745) 5.127 2.562 ( 2.720 1.149 -0.918) 3.092 2.579 ( 0.965 0.158 -1.571) 1.850 2.621 ( 2.648 -0.960 1.072) 3.013 2.704 ( -3.396 -1.629 2.236) 4.380 2.746 ( -2.447 0.933 -2.267) 3.464 2.779 ( 1.639 3.376 0.470) 3.782 2.794 ( 1.438 0.548 -5.622) 5.828 2.836 ( 0.524 -1.175 -1.974) 2.357 2.856 ( 4.585 1.971 -2.071) 5.404 2.888 ( -0.380 0.099 1.913) 1.953 2.914 ( -3.778 2.941 -4.915) 6.861 2.965 ( 0.825 2.447 -2.954) 3.924 3.153 ( 1.304 -1.347 4.896) 5.243 3.200 ( -3.530 0.679 4.241) 5.559 3.295 ( -0.037 -1.139 0.889) 1.445 3.339 ( 1.852 -3.589 -1.004) 4.161 3.474 ( -5.490 -1.080 5.957) 8.172 3.662 ( 4.315 -0.158 -4.152) 5.990 3.709 ( -0.425 -0.297 1.824) 1.896 3.804 ( -1.734 -3.726 -0.652) 4.161 4.093 ( 0.782 -1.460 -0.265) 1.677 4.131 ( 0.176 1.480 -1.291) 1.972 4.158 ( -1.792 -1.457 1.197) 2.601 4.242 ( 1.072 0.946 -0.001) 1.430 4.326 ( 0.487 -0.055 1.848) 1.911 4.440 ( 0.739 2.233 -4.088) 4.717 4.575 ( -0.417 -1.239 0.387) 1.363 4.637 ( 1.831 -1.141 -3.662) 4.250 4.992 ( -6.859 -4.836 7.633) 11.344 5.055 ( 6.409 -11.113 5.587) 13.992 5.326 ( -0.187 -0.089 3.015) 3.022 5.403 ( -0.701 2.010 0.747) 2.257 5.459 ( -5.686 1.864 -2.803) 6.607 5.609 ( 4.811 0.093 -2.894) 5.615 5.663 ( -0.269 -1.282 -2.463) 2.790 5.725 ( -7.426 1.400 4.571) 8.832 5.843 ( 3.623 -2.780 -9.421) 10.469 6.062 ( 8.271 1.889 -7.913) 11.601 6.113 ( 0.059 -3.349 0.356) 3.368 6.195 ( 1.319 -1.423 -1.409) 2.399 6.423 ( -10.983 -5.134 7.796) 14.414 6.735 ( 11.001 -2.249 -6.383) 12.916 6.806 ( -12.004 4.424 3.697) 13.317 7.068 ( 5.971 -2.208 2.276) 6.761 7.169 ( 7.690 0.841 -2.981) 8.290 7.309 ( 6.784 -0.681 -0.866) 6.873 7.510 ( -14.798 -3.914 11.989) 19.443 7.604 ( 0.760 2.072 2.857) 3.610 7.815 ( 0.777 -1.173 -2.597) 2.953 7.887 ( 6.593 -7.718 -5.077) 11.349 8.582 ( 5.081 -3.445 11.646) 13.165 8.802 ( -1.488 0.714 1.348) 2.131 8.892 ( 6.656 -0.505 -4.784) 8.213 9.042 ( 2.288 -0.592 -9.063) 9.366 9.235 ( 0.088 1.612 1.153) 1.984 9.345 ( 1.094 3.594 -2.130) 4.319 9.941 ( -2.074 3.473 5.577) 6.890 10.027 ( -0.080 4.498 0.435) 4.520 11.360 ( -1.296 0.613 1.404) 2.007 11.463 ( 2.802 -0.777 -2.424) 3.786 12.510 ( -0.273 -0.071 -0.138) 0.314 12.541 ( 1.112 -0.979 -1.239) 1.931 12.695 ( -2.439 0.674 3.343) 4.193 12.809 ( 1.629 1.859 -3.542) 4.319 13.012 ( 0.228 -0.208 -0.128) 0.334 13.018 ( 0.236 0.465 -0.473) 0.704 13.325 ( -3.428 1.463 5.301) 6.480 13.526 ( 0.899 -0.778 -2.885) 3.121 14.259 ( 0.144 -0.512 0.908) 1.052 14.301 ( -0.263 -1.345 -0.729) 1.552 14.772 ( -3.593 -3.239 10.325) 11.402 15.049 ( 7.823 0.580 -5.184) 9.403 15.180 ( -4.425 -4.967 2.721) 7.187 15.321 ( -13.042 -4.004 -4.855) 14.480 15.463 ( -2.098 -0.405 0.289) 2.156 15.498 ( 0.879 0.011 -0.193) 0.900 15.537 ( -0.338 2.362 -1.453) 2.794 15.581 ( 3.943 1.954 -2.020) 4.843 15.902 ( 0.538 0.602 0.400) 0.901 15.929 ( -0.341 2.434 -0.799) 2.584 16.313 ( 4.726 1.451 14.827) 15.629 16.411 ( -0.200 0.930 2.657) 2.822 16.527 ( 0.669 -1.440 -2.579) 3.028 16.864 ( -0.813 8.802 -19.091) 21.038 19.649 ( -4.722 -1.891 0.549) 5.116 19.679 ( 2.372 -0.722 -0.710) 2.579 19.799 ( -9.783 -3.474 7.973) 13.090 20.012 ( 2.202 -3.018 -3.953) 5.439 ======================= Grid point 70 (28/70) ======================= q-point: ( 0.17 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 3.061 8.907 9.055) 13.065 0.609 ( 5.990 6.734 9.795) 13.310 0.759 ( -4.672 3.180 -14.781) 15.824 0.882 ( 4.539 5.046 -6.804) 9.611 1.072 ( 4.416 2.472 7.100) 8.720 1.179 ( -0.848 2.990 4.258) 5.272 1.258 ( 0.575 4.190 5.361) 6.828 1.277 ( -2.689 3.313 0.139) 4.270 1.319 ( 0.713 5.344 4.914) 7.294 1.408 ( -2.392 3.065 1.289) 4.096 1.466 ( 2.380 0.482 -0.329) 2.450 1.486 ( -2.464 -0.371 0.422) 2.527 1.606 ( 0.835 0.603 -3.505) 3.654 1.631 ( 3.102 1.778 1.197) 3.770 1.669 ( 1.313 4.589 -2.977) 5.625 1.710 ( 2.216 0.724 -2.822) 3.660 1.736 ( -0.627 2.187 -4.258) 4.828 1.796 ( 5.312 1.821 -4.085) 6.945 1.866 ( -5.757 -2.279 -1.946) 6.490 1.932 ( -1.228 -1.181 2.542) 3.060 1.980 ( -0.688 -2.066 4.243) 4.769 2.091 ( -5.930 1.699 0.498) 6.188 2.116 ( -2.046 -3.102 2.861) 4.689 2.161 ( -0.841 -1.729 -3.245) 3.772 2.206 ( -1.570 -0.798 1.408) 2.255 2.284 ( -0.939 1.652 1.568) 2.464 2.309 ( 2.749 -1.803 4.385) 5.481 2.372 ( -3.061 -1.991 -0.618) 3.704 2.380 ( 5.274 -0.906 2.695) 5.992 2.421 ( 1.127 0.871 -2.615) 2.978 2.438 ( -0.765 -1.994 -0.663) 2.236 2.512 ( 4.344 -2.020 -0.623) 4.831 2.585 ( 1.144 -1.145 -1.908) 2.502 2.596 ( 1.417 -1.387 -3.891) 4.367 2.657 ( 0.128 -3.197 -0.254) 3.210 2.687 ( -0.692 -1.063 -3.246) 3.485 2.697 ( -0.200 -0.364 1.281) 1.347 2.755 ( -2.073 3.211 -1.517) 4.112 2.822 ( 0.131 2.796 -1.572) 3.210 2.845 ( 1.399 0.064 -0.433) 1.466 2.854 ( 1.349 -0.122 2.908) 3.207 2.925 ( 4.862 -1.220 0.788) 5.074 2.941 ( 4.555 0.338 -2.400) 5.160 2.984 ( 6.445 6.020 -2.263) 9.105 3.146 ( -4.213 0.320 1.444) 4.465 3.226 ( 0.982 -1.739 3.292) 3.851 3.309 ( 0.429 -2.482 1.551) 2.959 3.379 ( 3.211 -2.281 -1.990) 4.413 3.449 ( -3.353 -2.102 2.829) 4.865 3.710 ( 5.074 2.690 -2.113) 6.119 3.745 ( 0.449 -1.016 3.580) 3.748 3.761 ( -1.276 -2.309 -0.890) 2.784 4.125 ( -1.203 0.748 0.457) 1.488 4.128 ( 3.022 -1.071 -1.218) 3.430 4.156 ( 2.565 -1.270 -0.483) 2.903 4.261 ( 0.732 0.950 -0.907) 1.504 4.348 ( 0.256 -0.191 0.728) 0.795 4.412 ( 0.160 0.976 -2.512) 2.700 4.558 ( -1.552 -1.220 0.230) 1.988 4.619 ( 0.115 -0.354 -2.920) 2.943 4.893 ( -10.432 -3.245 3.028) 11.337 5.033 ( -15.114 -6.016 4.592) 16.903 5.294 ( -3.776 -0.125 1.342) 4.010 5.398 ( 0.028 0.466 -0.207) 0.511 5.413 ( -0.002 1.965 2.359) 3.070 5.520 ( -6.281 0.486 0.728) 6.342 5.659 ( 0.670 -1.754 -2.396) 3.044 5.691 ( 0.461 1.113 -1.996) 2.331 5.862 ( 6.413 -3.957 -3.283) 8.219 6.105 ( -0.323 -2.063 -3.046) 3.693 6.201 ( 7.797 -1.544 2.018) 8.201 6.279 ( 4.764 -7.328 -2.139) 8.998 6.324 ( -1.651 -0.367 6.172) 6.399 6.649 ( -2.859 3.544 -1.263) 4.726 6.837 ( 4.928 -3.515 -5.164) 7.957 7.017 ( -4.621 4.385 2.553) 6.863 7.279 ( -19.336 -6.076 7.720) 21.689 7.428 ( 7.828 0.082 -1.150) 7.913 7.475 ( 19.322 -2.294 -6.253) 20.438 7.577 ( -7.976 0.540 3.522) 8.736 7.697 ( -6.998 0.139 -3.254) 7.718 7.812 ( -11.325 -3.682 -1.390) 11.990 8.681 ( 2.924 -2.617 1.424) 4.174 8.787 ( 1.257 2.046 -1.321) 2.741 8.962 ( -0.301 -1.331 -5.834) 5.992 9.107 ( 11.455 -9.185 -2.514) 14.897 9.288 ( 3.582 0.752 2.176) 4.258 9.384 ( 5.123 3.813 -1.989) 6.689 9.846 ( -12.452 4.526 3.920) 13.816 9.995 ( -2.934 5.317 -0.584) 6.101 11.319 ( -4.349 0.552 0.985) 4.493 11.448 ( -1.795 0.250 -2.245) 2.885 12.487 ( -1.119 -0.234 -0.665) 1.323 12.552 ( 0.276 0.636 -0.745) 1.017 12.682 ( -2.191 0.545 2.725) 3.539 12.771 ( -2.033 2.323 -0.938) 3.226 13.009 ( -0.286 0.260 -0.445) 0.589 13.014 ( -0.005 0.128 -0.336) 0.360 13.342 ( -0.596 0.376 5.116) 5.164 13.544 ( 3.743 0.277 -2.487) 4.502 14.283 ( 1.332 -0.624 1.160) 1.873 14.299 ( 0.953 -1.382 -0.899) 1.904 14.756 ( -7.305 -0.758 8.226) 11.028 14.937 ( -7.701 3.434 -3.519) 9.137 15.213 ( 7.508 -4.162 -2.300) 8.888 15.312 ( 2.239 -3.477 3.564) 5.459 15.448 ( -0.580 2.356 -0.534) 2.484 15.541 ( 0.590 2.287 0.794) 2.492 15.566 ( 4.621 0.257 0.176) 4.631 15.631 ( 5.826 -3.884 -1.407) 7.142 15.923 ( 1.556 2.424 -0.405) 2.909 15.949 ( 3.341 0.144 0.095) 3.346 16.366 ( -6.070 -1.877 3.400) 7.206 16.454 ( 0.730 5.323 3.870) 6.622 16.563 ( -1.677 -0.255 -4.875) 5.161 16.691 ( 3.606 3.459 -5.940) 7.762 19.609 ( 0.655 -0.004 -0.819) 1.049 19.718 ( 1.854 -1.582 0.130) 2.440 19.788 ( -2.368 -1.119 6.745) 7.236 20.075 ( 6.765 -5.450 -0.378) 8.695 ======================= Grid point 71 (29/70) ======================= q-point: ( 0.33 0.12 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( -1.065 7.504 -9.159) 11.888 0.684 ( 7.442 5.711 5.744) 11.000 0.820 ( 5.807 1.264 7.260) 9.383 0.943 ( 8.177 6.610 -4.453) 11.418 1.151 ( -5.844 3.549 0.238) 6.841 1.175 ( 2.121 -2.201 1.190) 3.280 1.206 ( -5.775 1.159 3.546) 6.876 1.290 ( -3.213 4.655 0.905) 5.728 1.343 ( 1.222 -0.185 -0.086) 1.239 1.390 ( 2.645 5.343 -4.875) 7.701 1.487 ( -1.793 -2.029 5.562) 6.186 1.547 ( 2.060 2.344 5.653) 6.457 1.575 ( -4.906 2.018 -2.510) 5.869 1.627 ( 3.770 5.490 -6.906) 9.594 1.675 ( -3.465 2.570 -1.781) 4.667 1.693 ( 0.684 1.406 3.576) 3.903 1.726 ( 0.318 -0.779 -2.543) 2.679 1.777 ( 2.001 0.051 1.178) 2.323 1.850 ( 1.861 2.449 -0.924) 3.212 1.935 ( 0.324 -1.812 -2.130) 2.815 2.000 ( -1.097 0.452 1.650) 2.033 2.046 ( -1.988 0.875 4.474) 4.973 2.147 ( 0.660 -1.082 -0.438) 1.341 2.163 ( 0.335 -0.965 4.350) 4.468 2.175 ( 3.974 0.321 -1.564) 4.283 2.264 ( -2.325 -2.135 -2.772) 4.201 2.302 ( -3.281 1.696 0.961) 3.817 2.340 ( -0.636 -1.453 -2.162) 2.681 2.388 ( 0.421 -1.610 1.649) 2.343 2.480 ( -0.670 -0.220 -3.337) 3.410 2.491 ( 2.378 0.164 0.870) 2.537 2.539 ( 3.138 -1.748 -0.596) 3.642 2.563 ( 0.352 -0.188 2.584) 2.615 2.621 ( 3.405 -3.144 -1.505) 4.873 2.629 ( -3.788 -2.612 -0.952) 4.699 2.661 ( -2.142 2.754 1.175) 3.681 2.673 ( 2.664 -2.173 -3.329) 4.785 2.744 ( -0.408 -0.019 2.565) 2.598 2.815 ( 1.676 0.427 -1.265) 2.143 2.889 ( 2.420 -0.411 2.120) 3.243 2.895 ( 1.084 -2.090 -0.410) 2.390 2.971 ( 1.428 2.050 0.347) 2.522 3.039 ( 4.206 1.855 1.155) 4.739 3.071 ( 0.837 7.223 -2.708) 7.759 3.130 ( 3.471 -3.863 2.352) 5.701 3.250 ( -0.898 -2.319 1.563) 2.937 3.337 ( 1.047 -2.509 1.699) 3.206 3.376 ( -4.330 -2.090 1.666) 5.088 3.437 ( 4.914 -2.064 -4.356) 6.884 3.681 ( -5.663 -2.462 -0.378) 6.187 3.780 ( 3.929 4.155 -0.721) 5.764 3.824 ( 2.471 0.896 1.491) 3.022 4.111 ( -0.483 -0.991 0.438) 1.186 4.149 ( 1.071 -2.212 -0.822) 2.591 4.228 ( 5.297 -0.165 -0.413) 5.315 4.253 ( 0.728 0.671 -1.240) 1.587 4.349 ( -0.090 0.779 -0.184) 0.806 4.409 ( 1.592 1.539 -1.265) 2.550 4.536 ( -1.380 -0.696 0.430) 1.604 4.593 ( -0.824 0.724 -1.135) 1.579 4.709 ( -10.819 -0.409 -1.177) 10.891 4.762 ( -16.151 -0.359 0.625) 16.167 5.233 ( -4.991 -0.703 4.371) 6.672 5.413 ( 2.479 0.575 -2.850) 3.821 5.441 ( -4.126 -2.542 3.084) 5.744 5.480 ( 5.135 0.285 -0.852) 5.213 5.662 ( 1.144 -0.983 0.626) 1.633 5.705 ( 2.389 -4.798 -1.848) 5.670 5.921 ( -2.429 -4.053 -0.928) 4.815 6.011 ( -1.198 -0.907 -1.510) 2.130 6.194 ( -6.893 -5.053 7.134) 11.132 6.413 ( 10.151 -2.579 -1.720) 10.614 6.514 ( 13.776 -1.588 -2.074) 14.021 6.685 ( 8.532 1.393 -5.061) 10.018 6.869 ( 3.464 -8.143 3.930) 9.683 6.932 ( -7.163 3.795 -4.615) 9.328 7.019 ( -17.366 -3.237 6.183) 18.716 7.391 ( -12.199 -4.177 1.946) 13.040 7.500 ( -0.674 -0.540 -3.194) 3.309 7.580 ( -4.561 6.441 2.020) 8.147 7.623 ( -3.470 1.411 0.589) 3.792 7.754 ( 16.699 -0.559 -7.781) 18.432 8.659 ( -5.616 -0.246 2.560) 6.177 8.811 ( 2.245 2.375 -7.938) 8.585 8.994 ( 10.514 -5.046 -1.243) 11.728 9.197 ( 0.171 -0.103 1.501) 1.514 9.356 ( 0.731 -0.722 1.651) 1.944 9.444 ( 2.328 2.446 -0.770) 3.464 9.685 ( -8.857 5.815 4.113) 11.365 9.933 ( -0.300 3.638 -5.074) 6.251 11.256 ( -3.413 1.061 1.005) 3.713 11.377 ( -3.224 1.018 -2.051) 3.954 12.471 ( 0.101 0.842 -0.682) 1.088 12.531 ( -1.514 2.467 -0.586) 2.953 12.680 ( -0.800 -0.251 1.812) 1.996 12.739 ( -1.246 1.418 0.015) 1.888 12.999 ( -0.201 0.512 -0.404) 0.683 13.012 ( 0.168 -0.025 -0.559) 0.584 13.390 ( -0.172 -0.244 4.984) 4.993 13.584 ( 3.354 -0.395 -2.477) 4.188 14.314 ( 1.430 -1.524 -0.556) 2.162 14.316 ( 0.926 -0.679 0.861) 1.435 14.713 ( -5.400 1.003 5.473) 7.754 14.825 ( -2.200 2.457 -2.827) 4.344 15.298 ( 3.696 -4.984 0.460) 6.222 15.363 ( -0.466 -1.765 3.552) 3.994 15.435 ( -0.687 2.183 0.192) 2.297 15.552 ( 0.219 3.087 0.186) 3.100 15.605 ( 3.816 2.112 -4.340) 6.153 15.753 ( 3.315 -10.729 4.033) 11.932 15.948 ( 1.823 4.436 -0.385) 4.811 16.025 ( 4.623 -1.036 -0.685) 4.787 16.259 ( -3.728 3.356 -4.454) 6.709 16.418 ( -3.743 -2.683 -6.074) 7.622 16.528 ( 0.483 1.476 6.546) 6.727 16.758 ( 2.541 2.431 0.622) 3.571 19.626 ( 2.127 -0.404 -1.476) 2.620 19.733 ( 0.554 -1.729 -1.244) 2.201 19.826 ( -1.556 -2.226 7.831) 8.289 20.177 ( 3.173 -8.451 0.778) 9.061 ======================= Grid point 72 (30/70) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 9.781 6.995 5.468) 13.210 0.801 ( -0.911 3.665 4.616) 5.964 0.862 ( -7.606 -0.497 0.166) 7.624 1.035 ( -1.170 2.624 -4.216) 5.102 1.043 ( 5.418 6.864 -0.870) 8.788 1.085 ( -5.682 7.274 -3.853) 10.002 1.246 ( 2.339 3.274 3.707) 5.470 1.274 ( -1.629 -3.155 2.966) 4.626 1.346 ( -1.983 1.010 1.857) 2.899 1.384 ( -2.577 4.058 -1.203) 4.956 1.429 ( 0.034 -1.098 -2.698) 2.913 1.534 ( -1.388 0.544 -4.706) 4.937 1.573 ( 1.626 1.179 -0.807) 2.164 1.625 ( 1.608 2.656 1.050) 3.278 1.660 ( -0.182 2.094 1.076) 2.362 1.725 ( 2.025 0.214 1.075) 2.302 1.753 ( 1.134 2.468 3.169) 4.174 1.806 ( -0.188 2.272 1.136) 2.547 1.877 ( 2.995 2.638 -2.543) 4.732 1.896 ( -1.944 0.345 -4.154) 4.599 1.968 ( -3.878 -1.873 2.196) 4.834 2.044 ( -2.126 1.185 2.121) 3.228 2.114 ( -0.614 -2.277 -0.024) 2.358 2.184 ( -1.658 -4.217 -1.388) 4.739 2.234 ( 1.805 -0.234 2.376) 2.993 2.249 ( -2.276 -0.053 -2.545) 3.415 2.303 ( 0.311 1.151 1.652) 2.037 2.327 ( 0.726 3.266 2.155) 3.979 2.382 ( 2.468 -0.558 -2.832) 3.798 2.452 ( -0.113 -4.021 -0.908) 4.124 2.519 ( -0.775 1.039 -3.028) 3.293 2.546 ( 2.897 -2.324 2.118) 4.276 2.581 ( -0.663 -1.333 -0.960) 1.772 2.609 ( -0.696 -4.023 4.095) 5.782 2.645 ( 1.090 -0.253 -0.157) 1.130 2.678 ( 0.327 1.950 -0.534) 2.048 2.721 ( 2.203 2.704 5.601) 6.598 2.765 ( 1.335 1.507 0.774) 2.157 2.867 ( -1.350 -3.353 1.630) 3.965 2.869 ( 3.377 -2.642 -2.029) 4.743 2.923 ( -0.468 -0.707 -2.252) 2.406 3.006 ( 1.699 1.505 1.122) 2.532 3.040 ( -1.506 4.411 0.713) 4.715 3.076 ( 1.647 4.026 -4.764) 6.451 3.183 ( -1.866 -4.759 4.474) 6.793 3.224 ( -2.451 -2.293 -0.809) 3.453 3.316 ( -1.244 -0.417 -1.814) 2.238 3.369 ( -2.426 -0.241 4.475) 5.096 3.494 ( 3.190 -4.776 -2.228) 6.160 3.587 ( -1.189 -2.347 -1.234) 2.906 3.813 ( -0.643 2.428 -1.377) 2.864 3.826 ( -0.105 3.760 -1.011) 3.895 4.143 ( 2.437 -2.909 2.294) 4.434 4.177 ( 1.646 -0.966 1.120) 2.212 4.252 ( -0.367 -0.573 -1.535) 1.679 4.296 ( 1.349 -0.756 0.511) 1.629 4.362 ( 2.657 4.032 -1.011) 4.933 4.424 ( -0.036 2.407 -0.942) 2.585 4.481 ( -6.466 0.355 -1.644) 6.682 4.558 ( 1.423 0.247 -1.074) 1.800 4.564 ( -1.821 0.221 1.069) 2.123 4.634 ( 1.985 0.148 -2.548) 3.233 5.223 ( -2.899 -1.334 6.068) 6.856 5.384 ( -2.218 -0.360 1.184) 2.540 5.462 ( 4.479 -0.493 -3.366) 5.625 5.543 ( 4.031 1.770 -3.249) 5.471 5.670 ( -6.447 -8.123 -0.774) 10.400 5.729 ( 6.163 -6.058 -1.341) 8.745 5.802 ( -8.023 0.141 7.195) 10.778 6.070 ( 6.262 -2.853 -4.004) 7.961 6.178 ( -3.726 -2.222 7.067) 8.292 6.494 ( 5.518 -4.724 -6.274) 9.598 6.661 ( -6.418 -2.212 -1.054) 6.869 6.691 ( -2.087 -0.426 -4.085) 4.607 6.806 ( 0.190 -1.139 2.397) 2.661 6.851 ( 0.317 -0.750 -0.885) 1.203 7.083 ( 10.682 -6.488 8.079) 14.882 7.209 ( -6.246 -4.203 -0.692) 7.561 7.453 ( -0.478 1.557 -0.431) 1.685 7.541 ( -3.014 5.637 -0.190) 6.395 7.616 ( -1.363 5.141 2.216) 5.762 7.903 ( 8.356 -3.166 -8.602) 12.403 8.598 ( -3.376 1.960 2.206) 4.484 8.791 ( 5.342 0.228 -6.554) 8.458 9.078 ( -8.697 0.308 3.374) 9.333 9.227 ( 7.636 -2.487 -2.952) 8.556 9.359 ( -0.073 2.115 1.893) 2.839 9.440 ( -2.371 0.844 1.575) 2.969 9.630 ( -3.669 6.773 3.758) 8.571 9.903 ( 3.892 1.616 -7.280) 8.412 11.237 ( -0.165 1.869 1.433) 2.361 11.326 ( 0.410 0.712 -2.344) 2.484 12.476 ( 0.865 2.164 -0.373) 2.361 12.505 ( -0.207 2.360 -0.892) 2.531 12.684 ( -0.761 -0.268 1.610) 1.801 12.727 ( -0.246 0.744 0.008) 0.784 12.996 ( 0.204 0.595 -0.243) 0.674 13.008 ( 0.218 -0.076 -0.757) 0.791 13.418 ( -2.549 0.099 5.009) 5.621 13.602 ( 1.479 -1.230 -2.575) 3.215 14.320 ( -0.849 -0.855 0.227) 1.227 14.332 ( 0.603 -1.320 0.064) 1.453 14.681 ( -3.482 1.452 3.727) 5.303 14.803 ( 2.258 2.191 -1.687) 3.570 15.358 ( -0.055 -4.151 3.167) 5.221 15.364 ( -1.361 -2.410 2.542) 3.758 15.434 ( 0.437 2.285 0.507) 2.381 15.543 ( -0.120 -0.340 -2.484) 2.510 15.636 ( 1.707 1.704 0.168) 2.418 15.781 ( -1.840 -5.292 0.302) 5.611 15.965 ( -0.188 5.704 -0.100) 5.708 16.052 ( 1.645 0.551 -3.316) 3.743 16.211 ( -0.676 -0.968 -1.964) 2.292 16.319 ( 0.914 -3.406 -5.606) 6.623 16.608 ( 0.495 1.480 7.544) 7.704 16.773 ( 0.062 1.880 -1.254) 2.261 19.647 ( 1.518 -0.508 -0.694) 1.745 19.717 ( -0.110 -1.372 -2.636) 2.974 19.888 ( -1.869 -4.417 10.758) 11.779 20.177 ( -1.554 -7.824 -2.862) 8.475 ======================= Grid point 73 (31/70) ======================= q-point: (-0.33 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -13.043 4.473 -6.458) 15.226 0.734 ( -12.363 7.772 5.117) 15.474 0.851 ( 6.031 2.462 0.394) 6.526 0.967 ( -2.429 7.648 -2.026) 8.276 1.058 ( 5.076 2.324 2.901) 6.292 1.145 ( 1.894 8.131 1.532) 8.488 1.214 ( -8.587 5.170 4.353) 10.928 1.247 ( -1.202 -1.257 1.880) 2.561 1.352 ( 1.736 1.783 0.957) 2.666 1.370 ( -0.659 0.035 -0.508) 0.833 1.462 ( 0.058 0.752 -3.421) 3.503 1.494 ( 4.833 1.880 1.435) 5.380 1.572 ( 1.778 -2.474 -3.710) 4.801 1.625 ( -0.077 0.892 -1.563) 1.801 1.693 ( -1.075 1.671 2.122) 2.907 1.711 ( -1.171 0.614 -3.295) 3.550 1.791 ( 0.341 2.978 0.996) 3.158 1.826 ( 0.505 -0.022 -0.031) 0.506 1.857 ( 1.519 0.527 -0.307) 1.637 1.898 ( 2.373 0.205 -3.192) 3.983 1.963 ( -1.107 1.046 8.127) 8.268 2.033 ( -1.484 1.162 0.859) 2.071 2.115 ( -0.995 -2.720 3.057) 4.211 2.166 ( -1.759 -0.925 -0.827) 2.152 2.189 ( 3.659 -2.848 -3.063) 5.557 2.280 ( -2.621 0.181 -0.528) 2.680 2.295 ( 1.558 0.952 4.089) 4.478 2.342 ( -0.428 3.611 -0.628) 3.690 2.364 ( -2.414 -4.139 -5.078) 6.982 2.433 ( 2.382 0.016 0.779) 2.506 2.528 ( -2.000 -3.595 -0.779) 4.187 2.558 ( -1.179 -4.253 0.193) 4.418 2.582 ( -0.377 -1.149 -1.395) 1.846 2.628 ( 0.705 -0.031 4.180) 4.239 2.635 ( -1.828 1.531 -3.678) 4.383 2.700 ( 2.593 -0.617 2.160) 3.431 2.741 ( 0.859 0.107 -0.177) 0.884 2.827 ( -1.562 -0.307 -1.738) 2.357 2.861 ( -0.359 2.548 1.471) 2.964 2.881 ( 0.541 0.116 1.669) 1.758 2.913 ( -0.047 -0.847 -0.145) 0.860 2.986 ( -1.134 3.396 -4.560) 5.798 3.014 ( -3.899 1.508 3.703) 5.584 3.045 ( -1.592 -0.468 -1.146) 2.017 3.138 ( -3.644 -2.227 -1.574) 4.552 3.209 ( -1.132 -2.887 4.277) 5.283 3.293 ( -3.400 1.163 0.860) 3.695 3.330 ( -0.924 -2.319 1.682) 3.010 3.543 ( 6.198 -5.645 -3.754) 9.185 3.602 ( -0.608 -1.097 1.440) 1.910 3.758 ( -3.065 3.360 -0.180) 4.551 3.832 ( 0.116 -0.378 0.765) 0.861 4.165 ( -3.307 -0.331 2.685) 4.273 4.188 ( -0.396 -3.437 -2.373) 4.195 4.239 ( -0.089 -1.384 0.749) 1.576 4.275 ( -2.255 -0.421 -1.888) 2.972 4.351 ( -2.708 1.854 -0.383) 3.304 4.435 ( 3.742 1.873 -2.402) 4.825 4.463 ( 8.812 3.570 -3.067) 9.990 4.554 ( -0.044 0.182 1.173) 1.188 4.660 ( 5.113 1.973 -3.020) 6.258 4.736 ( 11.975 -0.292 2.464) 12.230 5.243 ( -0.407 -0.858 4.872) 4.964 5.376 ( -0.638 -0.026 1.154) 1.319 5.479 ( -6.631 -0.905 0.728) 6.732 5.524 ( 2.864 -1.855 -0.393) 3.435 5.623 ( 6.981 -2.747 -8.197) 11.112 5.761 ( -3.416 -0.745 5.513) 6.528 5.827 ( 5.607 -5.079 -1.858) 7.790 6.055 ( -6.956 -1.594 -0.864) 7.188 6.214 ( 0.069 -0.694 7.987) 8.017 6.412 ( -13.015 -0.445 -1.342) 13.091 6.544 ( 7.626 -4.244 -6.987) 11.180 6.666 ( -4.862 -7.899 -1.042) 9.334 6.728 ( -1.917 -1.646 -1.489) 2.933 6.975 ( 1.381 -1.186 8.826) 9.012 7.170 ( 8.161 1.157 -6.628) 10.577 7.329 ( 0.290 -1.032 7.291) 7.370 7.481 ( -0.270 1.775 -1.694) 2.469 7.508 ( 8.943 -0.667 -2.590) 9.335 7.617 ( 2.609 4.642 0.388) 5.339 7.848 ( -5.018 -3.806 -7.489) 9.785 8.589 ( -0.566 3.262 0.131) 3.313 8.857 ( 6.380 -1.159 -5.563) 8.544 8.905 ( -8.035 -0.251 -0.936) 8.093 9.226 ( -6.399 1.510 2.590) 7.067 9.350 ( -4.371 2.551 0.346) 5.072 9.452 ( -0.183 2.304 -0.890) 2.477 9.658 ( 5.250 3.329 4.372) 7.600 9.917 ( 4.775 2.645 -5.054) 7.439 11.272 ( 2.255 1.336 1.718) 3.134 11.351 ( 4.881 0.246 -2.676) 5.572 12.480 ( 0.591 2.055 -0.685) 2.245 12.520 ( 2.335 2.106 -0.624) 3.206 12.685 ( -1.108 0.001 2.182) 2.447 12.732 ( 1.098 1.284 -0.264) 1.710 13.001 ( 0.594 0.631 -0.204) 0.890 13.005 ( 0.340 -0.091 -0.747) 0.826 13.399 ( -5.166 0.536 5.063) 7.253 13.586 ( -0.168 -1.742 -2.506) 3.057 14.294 ( -1.998 -0.516 0.005) 2.063 14.333 ( -0.707 -1.387 0.290) 1.583 14.671 ( -2.022 1.446 4.021) 4.727 14.862 ( 5.872 2.877 -1.308) 6.668 15.309 ( -4.790 -2.500 0.647) 5.442 15.421 ( 0.548 -5.888 5.127) 7.827 15.460 ( 1.746 3.035 0.964) 3.632 15.502 ( -0.644 -2.248 -4.180) 4.790 15.620 ( -4.661 -0.507 1.053) 4.806 15.771 ( 0.833 1.184 2.080) 2.534 15.943 ( -1.676 2.444 -0.491) 3.004 16.032 ( -1.747 2.577 -2.314) 3.879 16.133 ( -2.618 -6.641 -3.583) 7.987 16.354 ( 4.490 0.554 -2.019) 4.954 16.661 ( -2.222 -0.897 2.139) 3.212 16.787 ( 4.883 4.866 0.412) 6.906 19.664 ( 0.733 -0.564 0.407) 1.010 19.685 ( -0.123 -0.816 -2.955) 3.068 19.963 ( -4.067 -9.559 13.238) 16.827 20.102 ( -1.930 -5.336 -3.950) 6.914 ======================= Grid point 74 (32/70) ======================= q-point: (-0.17 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -5.739 12.212 -0.807) 13.517 0.574 ( -12.071 12.417 7.324) 18.802 0.862 ( 2.922 3.774 -8.008) 9.322 0.946 ( -4.434 14.762 6.558) 16.751 1.006 ( -9.440 6.175 1.844) 11.431 1.195 ( 2.015 -0.024 3.141) 3.732 1.219 ( -1.301 -0.475 2.739) 3.069 1.289 ( 2.975 1.346 1.735) 3.697 1.336 ( -2.014 2.981 -1.973) 4.103 1.389 ( 0.514 0.921 2.333) 2.560 1.456 ( 3.387 -0.458 -2.726) 4.372 1.519 ( -0.505 -2.823 -2.799) 4.008 1.578 ( -1.651 -2.238 -0.052) 2.782 1.630 ( -0.187 2.226 0.692) 2.338 1.650 ( 1.374 2.544 -1.068) 3.082 1.723 ( 0.389 0.970 -0.273) 1.080 1.789 ( 0.807 3.537 -2.896) 4.642 1.858 ( 2.447 -0.919 -1.545) 3.036 1.865 ( 2.313 -2.031 -0.117) 3.080 1.954 ( 5.280 -1.107 0.174) 5.398 1.965 ( -3.317 0.772 2.193) 4.050 2.067 ( 0.303 0.424 5.957) 5.980 2.123 ( -0.855 -4.145 -3.667) 5.600 2.141 ( 0.473 -0.044 0.670) 0.821 2.228 ( -3.416 1.035 2.948) 4.630 2.240 ( -0.831 -0.049 -1.151) 1.420 2.279 ( 1.931 0.975 -1.417) 2.586 2.322 ( 0.434 -0.071 -0.880) 0.983 2.378 ( 0.943 -0.063 0.837) 1.262 2.431 ( 0.049 -1.245 0.012) 1.246 2.484 ( -1.840 -4.790 1.697) 5.405 2.531 ( -1.300 0.623 -1.165) 1.853 2.586 ( 0.559 -2.609 -1.316) 2.975 2.593 ( 0.640 -0.618 -1.580) 1.813 2.640 ( -1.331 1.061 -1.008) 1.978 2.732 ( 0.270 1.109 -0.445) 1.225 2.760 ( -5.457 -4.182 1.212) 6.981 2.793 ( 0.967 -0.509 2.348) 2.590 2.809 ( -0.057 -0.612 -2.289) 2.370 2.861 ( -0.985 0.879 -5.436) 5.594 2.882 ( -0.353 1.017 -2.794) 2.995 2.924 ( -3.192 -0.398 -1.920) 3.746 2.981 ( -2.185 3.372 1.083) 4.161 3.042 ( -2.874 3.719 -4.702) 6.648 3.083 ( 0.033 -1.430 5.731) 5.907 3.216 ( -4.306 -3.214 5.307) 7.552 3.278 ( 0.405 -0.986 1.447) 1.797 3.342 ( 0.799 -3.764 -1.368) 4.084 3.541 ( -8.033 0.142 5.594) 9.790 3.621 ( 5.641 -3.159 -4.220) 7.721 3.718 ( -1.517 1.181 0.085) 1.924 3.832 ( -1.106 -4.319 0.095) 4.460 4.127 ( -3.386 -1.637 -0.734) 3.832 4.142 ( -1.192 -0.461 -0.174) 1.290 4.195 ( -2.341 -1.235 -1.635) 3.111 4.247 ( -1.163 -0.758 -0.115) 1.393 4.315 ( -0.842 2.042 -0.130) 2.213 4.458 ( 3.016 2.995 -5.546) 6.988 4.563 ( 0.547 -1.588 1.444) 2.215 4.613 ( 5.601 0.158 -2.186) 6.015 4.793 ( 13.945 -0.190 3.392) 14.353 4.949 ( 4.342 -1.459 7.660) 8.925 5.323 ( 0.341 -2.229 1.910) 2.955 5.344 ( 2.142 1.383 1.172) 2.806 5.464 ( 5.279 1.335 0.027) 5.446 5.583 ( -0.465 0.149 2.925) 2.965 5.632 ( 6.522 -5.154 -11.475) 14.170 5.801 ( 3.462 1.828 2.452) 4.620 5.885 ( -12.562 0.223 3.613) 13.074 5.935 ( 12.407 -0.823 -5.635) 13.652 6.207 ( -10.384 -1.116 0.841) 10.477 6.249 ( -3.790 1.251 1.556) 4.284 6.520 ( -10.950 -9.097 8.710) 16.689 6.608 ( 9.073 -4.175 -8.523) 13.130 6.813 ( 14.713 -0.169 -10.348) 17.988 6.981 ( -12.195 1.630 12.117) 17.268 7.226 ( 2.832 0.535 -3.438) 4.486 7.294 ( -6.345 4.070 1.969) 7.791 7.526 ( 4.854 1.772 -0.278) 5.175 7.587 ( -4.791 -1.298 2.309) 5.474 7.698 ( 9.300 -0.294 -6.070) 11.109 7.778 ( 8.890 -3.497 -0.512) 9.567 8.506 ( -7.395 5.446 1.260) 9.270 8.801 ( -1.120 0.021 1.355) 1.758 8.926 ( 2.628 -0.782 -4.900) 5.615 9.114 ( -5.124 2.668 -2.643) 6.353 9.269 ( -4.695 2.004 0.771) 5.163 9.388 ( -3.511 3.728 -1.507) 5.338 9.835 ( 7.032 2.354 5.130) 9.017 9.972 ( 4.876 4.762 -0.702) 6.852 11.333 ( 2.254 0.632 1.718) 2.903 11.415 ( 5.099 -0.464 -2.572) 5.729 12.493 ( 1.659 1.048 -0.697) 2.082 12.546 ( 0.817 0.152 -0.812) 1.161 12.693 ( -1.221 0.351 3.253) 3.492 12.768 ( 4.288 2.888 -1.478) 5.377 13.007 ( 0.523 -0.146 -0.421) 0.687 13.011 ( 0.841 0.659 -0.324) 1.117 13.353 ( -5.603 1.162 5.186) 7.722 13.555 ( -0.424 -2.190 -2.650) 3.464 14.264 ( -1.425 -0.414 0.338) 1.522 14.318 ( -1.053 -1.350 -0.083) 1.714 14.701 ( -0.580 0.130 7.368) 7.392 14.959 ( 6.784 3.401 -2.091) 7.872 15.222 ( -4.276 -4.018 -0.750) 5.915 15.449 ( -1.018 -2.544 -2.129) 3.470 15.472 ( 0.141 -2.417 3.216) 4.025 15.517 ( 3.595 2.634 0.296) 4.466 15.548 ( -3.872 1.143 0.875) 4.131 15.761 ( -9.046 -17.800 -2.944) 20.183 15.902 ( -1.123 1.065 -0.589) 1.657 15.966 ( -2.430 2.466 -1.484) 3.767 16.106 ( 1.577 7.224 5.733) 9.356 16.392 ( 0.647 -0.005 1.061) 1.242 16.592 ( -4.278 -2.060 -1.656) 5.028 16.915 ( 10.315 8.128 -7.548) 15.147 19.664 ( 0.842 -0.486 -2.212) 2.416 19.678 ( -0.170 -1.021 1.023) 1.455 19.943 ( -9.489 -12.640 6.276) 17.006 20.065 ( -3.130 -8.217 0.541) 8.809 ======================= Grid point 75 (33/70) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.063 10.457 6.525) 12.326 0.716 ( -4.870 10.879 7.039) 13.843 0.923 ( 3.995 2.991 -7.705) 9.180 0.969 ( -0.324 1.706 -6.369) 6.601 1.135 ( -4.415 -0.444 -2.168) 4.939 1.224 ( -0.764 4.715 0.857) 4.853 1.267 ( 3.986 3.393 -2.640) 5.863 1.319 ( -0.393 -3.722 -1.641) 4.087 1.388 ( -2.150 1.658 3.367) 4.325 1.470 ( -0.827 7.608 6.749) 10.204 1.503 ( 4.328 0.321 3.100) 5.334 1.554 ( 0.064 4.204 0.563) 4.242 1.575 ( 0.192 3.011 1.714) 3.470 1.659 ( -0.649 1.466 -2.431) 2.912 1.691 ( 1.642 3.229 -2.355) 4.321 1.760 ( -2.661 1.394 -0.918) 3.141 1.816 ( 0.365 2.581 -1.521) 3.019 1.844 ( -0.768 -0.213 0.325) 0.861 1.897 ( -0.035 2.542 -3.546) 4.363 1.927 ( 0.149 1.843 6.231) 6.500 1.967 ( 0.203 -0.586 -2.373) 2.453 2.068 ( -0.657 0.272 1.479) 1.641 2.104 ( -1.301 -2.914 3.568) 4.787 2.141 ( 2.214 -2.056 0.265) 3.033 2.197 ( 0.543 -0.605 -1.445) 1.658 2.213 ( -1.091 -1.270 -2.135) 2.713 2.313 ( -0.414 0.539 0.091) 0.686 2.334 ( 0.591 2.252 0.764) 2.451 2.346 ( 0.158 -2.387 0.943) 2.571 2.411 ( -1.064 -0.356 0.314) 1.165 2.423 ( 0.753 -1.071 1.741) 2.178 2.481 ( -1.486 -1.826 -1.590) 2.841 2.553 ( -2.416 -0.610 -0.379) 2.521 2.590 ( -0.038 -0.796 2.215) 2.354 2.607 ( 0.408 0.020 -2.743) 2.773 2.680 ( 0.474 -1.723 2.422) 3.010 2.761 ( 0.396 0.946 -0.742) 1.266 2.770 ( 1.699 -3.075 1.780) 3.938 2.808 ( 0.074 -0.395 0.447) 0.601 2.838 ( 1.259 2.622 -2.886) 4.097 2.903 ( 0.115 -0.442 -2.815) 2.852 2.921 ( -0.554 2.143 -1.521) 2.686 2.948 ( -1.874 2.882 -4.131) 5.374 3.022 ( 0.836 3.094 -4.841) 5.806 3.133 ( 0.247 -0.521 0.688) 0.898 3.167 ( -0.696 -2.981 2.425) 3.905 3.271 ( 2.132 -2.542 0.679) 3.387 3.278 ( 1.320 -0.142 -0.956) 1.636 3.496 ( -5.834 3.015 6.507) 9.244 3.653 ( 7.229 -1.403 -2.724) 7.852 3.694 ( -0.483 -1.407 0.336) 1.525 3.720 ( -2.814 -4.687 0.404) 5.482 4.050 ( 0.207 -2.111 0.595) 2.203 4.106 ( -1.321 -3.027 -0.435) 3.331 4.193 ( -0.670 3.212 0.997) 3.429 4.253 ( 0.785 0.524 1.962) 2.177 4.349 ( 0.593 1.824 -0.899) 2.118 4.484 ( -0.814 2.304 -5.758) 6.255 4.540 ( -0.331 -1.830 0.383) 1.899 4.613 ( 1.466 -1.573 -3.004) 3.695 4.862 ( 1.667 -7.379 6.309) 9.851 4.915 ( -2.961 -4.261 2.949) 5.968 5.316 ( -1.405 -1.327 2.981) 3.552 5.380 ( 1.066 -2.775 1.045) 3.151 5.470 ( -0.726 -2.176 -4.661) 5.195 5.549 ( 4.600 -4.618 -5.645) 8.623 5.644 ( 3.865 -0.136 -0.063) 3.868 5.750 ( -4.268 -4.670 0.314) 6.334 5.760 ( -5.281 -1.288 0.751) 5.487 5.965 ( 4.071 -8.744 -3.095) 10.129 6.075 ( 1.624 -1.448 0.541) 2.242 6.158 ( -1.197 -0.534 -1.488) 1.983 6.391 ( -8.884 0.891 8.576) 12.380 6.642 ( 8.258 -6.496 -1.015) 10.556 6.854 ( -8.496 0.788 0.621) 8.555 7.017 ( 14.064 -3.373 -4.588) 15.173 7.213 ( -2.287 3.318 0.554) 4.068 7.302 ( 5.118 -0.053 0.033) 5.119 7.457 ( -11.153 -1.363 6.957) 13.215 7.639 ( 1.703 -2.033 -4.452) 5.182 7.770 ( 4.285 -0.786 1.238) 4.529 7.798 ( -2.923 -0.058 1.055) 3.108 8.603 ( 0.227 3.504 4.519) 5.723 8.816 ( -0.250 0.721 0.605) 0.974 8.872 ( 2.217 -1.453 -5.123) 5.768 8.979 ( 1.201 -4.431 -7.828) 9.074 9.332 ( -1.125 7.452 2.853) 8.058 9.446 ( 1.124 6.085 -2.020) 6.510 9.995 ( -1.042 2.115 5.200) 5.710 10.093 ( -0.005 1.662 0.093) 1.664 11.374 ( -1.284 0.661 1.410) 2.018 11.439 ( 1.459 -1.468 -0.463) 2.121 12.517 ( -1.313 0.703 -0.232) 1.508 12.542 ( 1.458 0.871 -0.419) 1.749 12.714 ( -1.178 1.089 2.151) 2.684 12.818 ( 1.091 -0.457 -2.507) 2.772 13.009 ( 0.191 -0.029 0.062) 0.203 13.027 ( 0.245 0.390 -0.714) 0.850 13.363 ( -2.940 2.330 3.824) 5.357 13.514 ( 2.105 -0.713 -2.585) 3.409 14.250 ( 0.231 -0.313 0.417) 0.570 14.273 ( -0.413 -1.305 -0.311) 1.404 14.751 ( -2.352 -0.007 6.870) 7.261 15.021 ( 3.233 -2.868 -4.351) 6.132 15.091 ( -0.520 -4.021 0.764) 4.126 15.174 ( -3.658 -8.987 -3.587) 10.345 15.483 ( 1.382 1.978 0.706) 2.514 15.519 ( -0.433 1.437 0.358) 1.543 15.575 ( 0.558 1.417 -1.528) 2.158 15.607 ( 0.811 0.564 -1.129) 1.500 15.927 ( -0.436 1.943 0.726) 2.119 15.985 ( 1.080 2.334 -1.598) 3.028 16.385 ( -3.554 3.862 5.511) 7.610 16.449 ( 2.874 2.952 4.701) 6.251 16.505 ( 2.121 0.164 1.235) 2.460 16.905 ( -1.949 -2.026 -10.946) 11.302 19.628 ( -1.908 -0.269 0.230) 1.940 19.669 ( 1.587 -0.073 -1.054) 1.907 19.746 ( -3.408 -2.401 5.713) 7.072 19.927 ( 1.771 -5.252 -3.174) 6.387 ======================= Grid point 76 (34/70) ======================= q-point: ( 0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 2.004 8.600 4.875) 10.087 0.778 ( 2.686 9.912 5.241) 11.529 0.851 ( -2.990 5.133 -11.029) 12.527 0.963 ( 4.727 2.862 -1.384) 5.696 1.064 ( -0.276 -1.233 1.408) 1.891 1.228 ( -2.857 1.990 4.937) 6.042 1.264 ( -1.992 -1.362 -2.274) 3.316 1.336 ( 6.996 4.320 -4.754) 9.498 1.409 ( -0.399 -1.341 3.559) 3.824 1.505 ( -3.312 2.668 -0.679) 4.307 1.534 ( 1.468 4.352 1.927) 4.981 1.570 ( 2.382 -0.826 1.036) 2.726 1.588 ( -3.142 7.680 -2.329) 8.619 1.677 ( 1.649 -0.542 1.572) 2.342 1.696 ( -1.751 1.645 2.438) 3.422 1.713 ( 0.864 1.198 -0.292) 1.506 1.807 ( 1.408 3.319 -2.456) 4.362 1.841 ( 0.183 1.525 0.817) 1.739 1.888 ( 2.573 5.343 -3.644) 6.960 1.920 ( -4.653 2.065 2.438) 5.644 1.977 ( 1.969 0.540 -0.805) 2.195 2.049 ( -1.790 -2.650 3.662) 4.862 2.119 ( -1.591 2.104 0.737) 2.739 2.158 ( -0.261 0.344 -1.165) 1.242 2.174 ( 0.444 -2.296 -0.494) 2.391 2.251 ( 3.238 -3.110 1.814) 4.842 2.307 ( -1.927 -3.043 1.371) 3.854 2.322 ( -1.817 0.798 -2.380) 3.099 2.350 ( 3.924 -0.270 -0.507) 3.966 2.418 ( -3.111 0.420 -1.036) 3.306 2.470 ( 4.266 -0.003 2.754) 5.078 2.479 ( 0.957 -1.212 4.418) 4.680 2.510 ( -0.499 -0.917 -0.473) 1.146 2.587 ( 1.312 -1.929 -2.420) 3.361 2.638 ( -0.407 0.069 3.087) 3.115 2.680 ( -1.354 0.767 -1.356) 2.064 2.708 ( -0.927 1.835 -4.704) 5.133 2.796 ( -1.018 -2.323 0.732) 2.640 2.826 ( 2.373 -3.374 -1.614) 4.430 2.868 ( 2.069 6.173 -2.952) 7.148 2.872 ( -1.586 1.552 -1.766) 2.836 2.900 ( 0.284 0.226 2.118) 2.148 2.936 ( 3.419 -0.463 0.056) 3.451 3.038 ( 2.935 -2.556 -1.139) 4.055 3.144 ( 1.486 0.707 0.761) 1.813 3.190 ( 0.930 -3.273 1.047) 3.560 3.299 ( 2.593 2.753 -1.301) 4.000 3.316 ( 3.098 -3.608 -1.439) 4.968 3.452 ( -4.517 2.235 1.744) 5.332 3.665 ( -2.697 -5.443 0.691) 6.113 3.748 ( 4.794 0.244 1.895) 5.161 3.767 ( 6.614 2.006 -0.807) 6.958 4.064 ( -0.200 -3.752 -0.214) 3.763 4.111 ( 3.068 -2.944 -0.067) 4.253 4.180 ( -1.406 2.854 0.500) 3.221 4.279 ( -0.385 0.908 0.632) 1.172 4.361 ( 0.714 1.232 0.447) 1.493 4.424 ( 0.313 0.519 -3.097) 3.155 4.528 ( -0.907 -1.496 -0.113) 1.753 4.606 ( 0.552 -1.206 -2.002) 2.401 4.847 ( -5.929 -1.899 0.918) 6.293 4.886 ( -7.229 -6.793 4.530) 10.905 5.266 ( -4.953 -2.935 1.046) 5.851 5.392 ( -0.786 -0.645 0.421) 1.100 5.431 ( 0.232 -0.999 -2.506) 2.708 5.537 ( 0.982 -3.044 -4.676) 5.665 5.584 ( -6.122 -2.761 0.432) 6.730 5.681 ( -3.664 -2.259 1.341) 4.508 5.808 ( 6.678 -1.239 -0.985) 6.863 6.012 ( 1.722 -6.890 -1.869) 7.344 6.134 ( -1.977 -4.065 4.508) 6.384 6.195 ( 6.847 -0.313 -0.439) 6.868 6.329 ( 0.321 0.163 3.691) 3.708 6.673 ( -3.015 -6.388 -0.367) 7.073 6.721 ( -3.026 -1.461 -3.511) 4.860 7.100 ( -5.874 -6.967 1.563) 9.246 7.157 ( -5.351 4.466 -0.185) 6.972 7.400 ( 1.581 -1.626 -0.722) 2.381 7.466 ( 12.011 -0.003 -1.654) 12.124 7.575 ( -4.342 -1.803 -2.098) 5.148 7.712 ( -5.819 1.908 1.832) 6.392 7.786 ( -3.873 1.643 2.875) 5.096 8.661 ( 1.430 0.595 2.732) 3.140 8.816 ( 1.707 0.487 -0.138) 1.781 8.907 ( -0.942 -2.979 -7.347) 7.983 8.989 ( 13.019 -3.909 -1.942) 13.731 9.371 ( 2.023 7.071 2.315) 7.711 9.488 ( 4.789 6.275 -1.516) 8.038 9.934 ( -9.351 3.995 2.783) 10.542 10.057 ( -4.532 0.812 0.490) 4.631 11.334 ( -3.911 0.887 0.765) 4.083 11.435 ( -1.668 -1.366 -0.311) 2.178 12.501 ( -0.259 1.550 -0.218) 1.586 12.565 ( 1.424 0.739 -0.297) 1.631 12.705 ( -2.121 1.390 1.956) 3.202 12.792 ( -1.258 0.033 -1.757) 2.161 13.011 ( -0.034 0.035 0.044) 0.066 13.020 ( -0.096 0.398 -0.775) 0.877 13.362 ( -0.962 1.747 3.339) 3.889 13.539 ( 3.041 -0.903 -2.106) 3.808 14.272 ( 1.379 -0.660 0.315) 1.561 14.272 ( 0.852 -0.924 -0.110) 1.262 14.755 ( -4.401 0.173 6.182) 7.591 14.944 ( -4.121 -2.139 -5.509) 7.204 15.137 ( 5.366 -3.550 -0.764) 6.479 15.191 ( 3.792 -7.518 1.996) 8.654 15.497 ( -0.776 2.031 -1.166) 2.467 15.532 ( 2.563 0.291 1.794) 3.142 15.591 ( 0.906 0.098 -1.966) 2.167 15.617 ( 3.269 0.779 -1.124) 3.543 15.945 ( 2.166 1.351 0.029) 2.553 16.008 ( 3.187 3.348 -1.248) 4.788 16.339 ( -5.679 0.421 3.891) 6.896 16.523 ( 4.147 1.283 0.578) 4.380 16.577 ( -4.984 1.762 2.905) 6.033 16.743 ( -0.697 1.464 -6.281) 6.487 19.611 ( 0.095 0.343 -0.363) 0.509 19.690 ( 1.524 -0.916 -0.592) 1.873 19.753 ( -2.230 -2.340 5.152) 6.082 19.951 ( 3.897 -6.729 -2.198) 8.081 ======================= Grid point 77 (35/70) ======================= q-point: ( 0.33 0.25 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -0.827 8.002 -6.557) 10.378 0.796 ( 5.335 4.954 2.708) 7.768 0.886 ( 3.182 5.953 4.302) 8.004 1.053 ( 4.685 3.754 1.832) 6.277 1.114 ( 2.094 -2.802 0.908) 3.614 1.197 ( -2.907 -0.456 1.933) 3.521 1.235 ( -2.408 3.302 1.777) 4.456 1.386 ( -3.180 3.608 -2.672) 5.501 1.409 ( 1.467 -0.174 -1.178) 1.890 1.434 ( -1.234 6.151 1.329) 6.413 1.526 ( 0.628 4.447 -2.622) 5.200 1.592 ( 1.376 1.131 -0.025) 1.781 1.613 ( 1.506 0.677 0.067) 1.653 1.666 ( -0.618 -0.690 -3.286) 3.414 1.702 ( -1.699 -1.480 0.639) 2.342 1.729 ( 1.654 2.643 2.506) 4.000 1.762 ( -1.936 4.131 -4.195) 6.198 1.833 ( -1.493 5.317 0.491) 5.545 1.875 ( 1.330 2.316 1.245) 2.946 1.914 ( 1.081 -0.621 -0.126) 1.253 1.987 ( -0.045 -1.493 -1.108) 1.860 2.098 ( -1.366 2.321 1.594) 3.130 2.123 ( -3.582 -1.556 -3.050) 4.955 2.159 ( 3.644 -1.252 2.979) 4.871 2.185 ( 2.275 1.639 2.284) 3.617 2.236 ( -1.124 1.293 -1.945) 2.592 2.303 ( 1.250 -0.165 0.609) 1.400 2.319 ( -0.588 -2.137 3.366) 4.030 2.383 ( 2.217 2.564 -1.048) 3.548 2.439 ( 2.412 -2.385 0.190) 3.397 2.465 ( -1.519 -6.850 -0.460) 7.031 2.518 ( -2.380 1.759 -2.623) 3.955 2.564 ( 3.340 0.010 0.995) 3.485 2.576 ( 0.695 0.559 1.001) 1.341 2.622 ( -1.209 1.314 -2.570) 3.130 2.674 ( 2.597 1.664 1.295) 3.345 2.700 ( -0.251 0.591 2.734) 2.809 2.768 ( -0.887 0.644 0.632) 1.265 2.817 ( -0.391 -0.847 -1.428) 1.705 2.853 ( 0.271 -1.602 -0.123) 1.629 2.900 ( 0.865 3.590 2.042) 4.219 2.955 ( 0.753 -4.796 2.997) 5.705 2.991 ( 2.666 -1.382 0.172) 3.008 3.066 ( 2.662 -2.426 -0.686) 3.666 3.190 ( 1.040 -1.635 0.704) 2.062 3.214 ( 1.543 -2.104 0.187) 2.616 3.327 ( 1.317 4.896 -2.910) 5.846 3.334 ( -1.228 -2.751 0.679) 3.088 3.404 ( 2.962 -0.506 -3.867) 4.898 3.619 ( -4.380 -2.912 1.035) 5.360 3.835 ( 3.212 1.092 0.193) 3.398 3.873 ( 4.910 3.402 0.016) 5.974 4.047 ( -1.190 -3.622 1.127) 3.975 4.159 ( 1.662 1.127 -0.715) 2.132 4.189 ( 1.919 -2.716 1.027) 3.481 4.267 ( 0.711 0.497 -0.451) 0.977 4.378 ( 0.954 1.478 0.555) 1.844 4.440 ( 2.725 2.226 -0.423) 3.544 4.517 ( -0.178 -1.176 -0.281) 1.222 4.595 ( -0.378 -0.676 -0.276) 0.822 4.714 ( -8.693 0.307 -2.002) 8.926 4.731 ( -12.032 -2.359 0.773) 12.285 5.203 ( -3.358 -2.276 1.832) 4.451 5.401 ( 0.917 -1.718 0.197) 1.958 5.418 ( 0.162 -0.523 -0.922) 1.072 5.504 ( 1.277 1.752 -1.472) 2.620 5.536 ( 1.784 -8.406 -4.396) 9.652 5.648 ( -3.991 -3.308 2.469) 5.742 5.863 ( -1.134 -2.044 0.124) 2.341 5.961 ( -1.947 -4.055 -1.443) 4.724 6.104 ( -5.481 -2.834 8.052) 10.144 6.354 ( 9.156 -2.851 -1.632) 9.727 6.469 ( 8.766 -3.650 -0.736) 9.524 6.659 ( 4.766 -11.483 0.390) 12.439 6.700 ( 5.159 -0.338 -3.540) 6.266 6.927 ( -13.073 -4.558 4.449) 14.542 7.017 ( -10.329 3.727 -3.116) 11.414 7.305 ( -10.242 -4.162 -1.677) 11.182 7.495 ( -2.809 -0.741 -0.956) 3.058 7.614 ( 7.013 -2.576 -4.548) 8.747 7.700 ( 0.282 6.266 3.601) 7.232 7.808 ( 3.174 5.435 3.804) 7.354 8.659 ( -2.790 0.346 1.154) 3.039 8.805 ( -1.911 -3.746 -5.539) 6.955 8.944 ( 11.635 1.641 -0.860) 11.781 9.173 ( 6.736 -2.617 -0.185) 7.229 9.418 ( 0.970 6.475 1.417) 6.698 9.543 ( 1.305 6.820 1.013) 7.018 9.802 ( -6.274 5.542 0.984) 8.428 9.955 ( -5.591 -1.271 -1.892) 6.037 11.282 ( -2.321 1.419 0.603) 2.786 11.383 ( -3.269 -0.540 -0.694) 3.385 12.506 ( 1.040 2.591 -0.029) 2.792 12.575 ( -0.321 1.876 -0.005) 1.903 12.688 ( -1.420 0.914 1.280) 2.119 12.754 ( -1.350 0.124 -0.987) 1.677 13.009 ( 0.010 0.275 -0.326) 0.427 13.013 ( 0.000 0.306 -0.518) 0.601 13.393 ( 0.313 0.658 3.322) 3.401 13.564 ( 2.105 -1.686 -2.078) 3.405 14.287 ( 1.061 -0.950 0.001) 1.424 14.303 ( 1.221 -0.540 0.427) 1.401 14.732 ( -4.043 0.735 4.300) 5.947 14.846 ( -1.509 -0.445 -3.785) 4.099 15.212 ( 3.350 -3.752 0.334) 5.041 15.268 ( 1.276 -7.198 3.179) 7.972 15.478 ( -0.316 1.502 -0.724) 1.697 15.555 ( 0.266 -1.269 -3.147) 3.403 15.617 ( 2.525 -1.094 1.522) 3.145 15.676 ( 4.161 1.427 -0.746) 4.462 15.999 ( 4.213 0.456 -1.016) 4.358 16.066 ( 5.035 4.132 -1.525) 6.690 16.280 ( -5.562 -0.974 3.612) 6.703 16.391 ( -8.841 4.740 -5.719) 11.547 16.600 ( 3.343 2.007 1.638) 4.229 16.762 ( -0.099 -1.410 2.450) 2.829 19.619 ( 1.128 -0.162 -0.530) 1.257 19.700 ( 0.526 -1.347 -1.133) 1.837 19.770 ( -1.870 -3.236 5.507) 6.656 19.995 ( 2.885 -9.225 -1.833) 9.837 ======================= Grid point 78 (36/70) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 7.563 5.514 2.281) 9.634 0.841 ( -2.135 2.237 -1.219) 3.324 0.952 ( -2.342 6.898 4.921) 8.791 1.072 ( -1.963 1.208 -0.556) 2.371 1.148 ( -4.354 2.812 0.154) 5.185 1.186 ( 3.822 1.952 1.688) 4.612 1.216 ( -1.208 0.289 2.049) 2.396 1.315 ( -0.338 2.010 -1.190) 2.360 1.416 ( 1.574 1.908 1.008) 2.671 1.426 ( -2.612 3.537 -1.164) 4.549 1.496 ( 0.354 7.219 -2.506) 7.650 1.589 ( -0.273 1.706 -3.842) 4.213 1.600 ( 0.318 2.810 -3.457) 4.466 1.670 ( 0.027 -0.067 2.434) 2.435 1.693 ( -0.055 4.190 -2.292) 4.776 1.718 ( 1.893 0.343 1.923) 2.720 1.794 ( 1.926 -1.923 1.637) 3.176 1.845 ( 1.227 2.858 0.545) 3.158 1.904 ( -1.710 0.817 -1.730) 2.566 1.917 ( 0.541 1.606 -1.753) 2.438 1.953 ( -1.357 1.634 1.241) 2.460 2.052 ( -0.685 -3.283 -1.285) 3.591 2.075 ( -0.650 -2.668 -1.428) 3.095 2.134 ( -0.701 2.258 -1.141) 2.625 2.233 ( 0.494 -2.228 1.212) 2.584 2.267 ( -1.319 3.714 0.471) 3.969 2.315 ( -3.074 0.186 1.237) 3.319 2.372 ( -0.319 0.684 -0.852) 1.138 2.376 ( 3.014 0.154 1.599) 3.416 2.416 ( -0.334 0.723 -1.542) 1.736 2.482 ( 2.422 -2.757 0.521) 3.706 2.497 ( 0.895 -5.147 -1.718) 5.499 2.545 ( -3.157 0.808 1.804) 3.725 2.588 ( -1.030 0.312 -1.099) 1.538 2.638 ( 2.815 1.333 0.496) 3.154 2.705 ( 1.546 -0.027 2.181) 2.674 2.747 ( -2.153 0.327 -0.832) 2.332 2.797 ( 1.943 -0.545 4.886) 5.286 2.820 ( 2.008 -1.152 -1.049) 2.541 2.868 ( 1.081 1.509 2.375) 3.014 2.908 ( -1.829 -1.407 1.498) 2.751 2.992 ( -1.781 -1.416 6.796) 7.166 3.009 ( -0.002 -1.236 1.517) 1.957 3.111 ( 1.463 -0.201 -0.609) 1.597 3.172 ( -2.452 -2.712 -1.124) 3.825 3.242 ( 1.447 2.695 -3.313) 4.509 3.275 ( -0.444 -3.476 -0.872) 3.611 3.336 ( 1.443 -1.034 -1.801) 2.528 3.437 ( -0.976 -0.153 -1.657) 1.929 3.544 ( -0.680 -1.005 -1.668) 2.062 3.860 ( -0.009 1.909 -0.847) 2.089 3.889 ( -1.457 1.838 -0.916) 2.518 4.088 ( 1.545 -2.173 4.586) 5.305 4.171 ( -0.510 -0.167 -0.156) 0.559 4.218 ( 0.820 -1.444 1.193) 2.045 4.299 ( 1.073 0.468 0.678) 1.353 4.414 ( 2.807 1.377 0.019) 3.126 4.466 ( -6.347 1.420 1.966) 6.794 4.494 ( -0.422 0.736 -5.474) 5.540 4.558 ( 3.902 -0.258 -1.011) 4.039 4.581 ( -2.842 1.025 0.259) 3.032 4.629 ( 2.261 -0.483 -2.220) 3.205 5.193 ( -1.195 -1.443 3.569) 4.031 5.381 ( -2.450 -0.368 1.588) 2.943 5.445 ( 4.966 -2.583 -5.218) 7.652 5.507 ( -1.516 -6.716 -1.568) 7.061 5.574 ( 0.601 0.801 -2.653) 2.836 5.597 ( 4.563 -5.691 -0.845) 7.343 5.799 ( -7.711 -0.946 6.552) 10.163 5.983 ( 4.294 -5.612 -0.673) 7.099 6.118 ( -1.835 -3.394 5.930) 7.075 6.384 ( 2.877 -6.487 -5.218) 8.808 6.582 ( -1.604 -4.691 0.883) 5.036 6.645 ( -9.280 -5.278 -1.648) 10.802 6.784 ( -0.127 -0.809 0.280) 0.866 6.814 ( 1.043 -2.598 -2.283) 3.612 6.985 ( 11.804 -2.101 5.182) 13.061 7.133 ( -2.564 -3.123 -3.448) 5.312 7.464 ( -1.029 -0.059 1.189) 1.574 7.617 ( 0.024 -0.377 -5.396) 5.410 7.748 ( -1.197 7.830 5.034) 9.385 7.870 ( -0.671 1.081 1.332) 1.842 8.638 ( -0.189 1.906 0.659) 2.026 8.759 ( 3.884 -3.037 -5.816) 7.624 9.089 ( -4.142 1.385 1.496) 4.616 9.183 ( 4.148 -0.863 -2.214) 4.780 9.474 ( 3.528 7.173 2.927) 8.513 9.532 ( -5.132 7.463 2.367) 9.362 9.745 ( -2.637 4.930 0.305) 5.599 9.882 ( 2.291 -3.425 -4.299) 5.955 11.275 ( 0.328 1.743 1.060) 2.066 11.334 ( -0.550 -0.064 -1.331) 1.442 12.531 ( 1.427 3.165 0.177) 3.477 12.557 ( -1.411 2.755 0.148) 3.098 12.684 ( -0.397 0.264 0.812) 0.942 12.735 ( 0.299 0.016 -0.783) 0.839 13.007 ( 0.067 0.157 -0.392) 0.428 13.010 ( 0.344 0.539 -0.488) 0.804 13.421 ( -1.404 0.323 3.726) 3.995 13.567 ( 0.824 -2.284 -2.471) 3.464 14.300 ( -0.086 -0.816 0.495) 0.959 14.315 ( -0.096 -0.517 0.064) 0.529 14.708 ( -2.705 1.088 2.838) 4.069 14.827 ( 2.736 -0.132 -2.277) 3.562 15.259 ( 0.558 -4.636 2.428) 5.263 15.284 ( -2.259 -6.101 1.861) 6.767 15.476 ( 0.711 0.827 -0.350) 1.146 15.522 ( 0.124 -0.361 -3.557) 3.577 15.653 ( -0.178 0.553 1.277) 1.403 15.726 ( 1.758 -2.116 -0.594) 2.814 16.046 ( 2.159 -0.394 -2.701) 3.480 16.109 ( 0.425 5.516 -2.889) 6.241 16.196 ( -6.207 2.114 2.479) 7.010 16.294 ( 3.387 2.955 -1.987) 4.914 16.663 ( 0.163 2.017 4.041) 4.519 16.759 ( -0.366 -2.815 -0.231) 2.848 19.636 ( 1.143 -0.504 -0.175) 1.262 19.689 ( -0.038 -1.205 -1.773) 2.144 19.793 ( -2.596 -4.723 6.636) 8.549 20.001 ( 0.606 -9.265 -3.020) 9.764 ======================= Grid point 79 (37/70) ======================= q-point: (-0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -7.461 6.102 -4.956) 10.838 0.884 ( -8.941 7.265 4.692) 12.439 0.909 ( 6.588 3.384 -0.857) 7.455 1.036 ( -2.377 1.396 0.372) 2.781 1.141 ( 1.763 5.302 4.476) 7.159 1.215 ( -1.454 0.017 4.034) 4.288 1.238 ( -0.083 1.323 1.594) 2.074 1.319 ( 1.101 -2.092 -2.668) 3.565 1.409 ( 2.945 0.842 -2.204) 3.773 1.436 ( -0.618 5.811 -1.229) 5.971 1.510 ( 0.780 8.091 3.471) 8.839 1.539 ( -0.718 1.724 -4.373) 4.755 1.592 ( -0.447 2.834 -1.675) 3.322 1.616 ( 0.977 0.995 -0.561) 1.503 1.702 ( -1.877 -0.907 -2.840) 3.523 1.770 ( 2.504 5.083 1.962) 5.997 1.820 ( -1.708 -0.323 -2.317) 2.897 1.840 ( 0.652 0.995 1.594) 1.989 1.867 ( -1.110 1.171 -0.567) 1.710 1.887 ( 1.300 1.654 0.109) 2.107 1.991 ( 0.870 -3.024 1.605) 3.532 2.055 ( -2.970 0.173 0.588) 3.032 2.081 ( 0.944 1.650 1.785) 2.608 2.131 ( 3.980 -0.780 -0.144) 4.058 2.163 ( -2.449 -0.208 -4.013) 4.706 2.287 ( -2.740 -0.178 1.239) 3.013 2.291 ( -0.054 -0.978 1.580) 1.859 2.345 ( 1.504 3.230 0.673) 3.626 2.395 ( -1.481 0.097 -1.330) 1.993 2.420 ( -0.582 -2.552 0.104) 2.620 2.476 ( -3.813 -0.998 0.019) 3.941 2.491 ( -0.404 -0.059 -0.693) 0.805 2.523 ( 0.731 -3.688 0.095) 3.761 2.623 ( 0.605 -0.963 6.310) 6.412 2.667 ( -1.479 -0.454 -3.342) 3.683 2.676 ( 1.077 0.027 -0.533) 1.201 2.741 ( -0.761 -0.109 1.732) 1.895 2.806 ( -1.218 0.201 -2.919) 3.170 2.870 ( 0.749 -1.538 1.732) 2.435 2.878 ( -0.558 -1.521 1.152) 1.988 2.889 ( -3.527 -2.356 1.476) 4.491 3.010 ( -2.482 -1.172 2.166) 3.497 3.053 ( 0.423 5.759 5.913) 8.264 3.085 ( -1.370 2.991 -3.948) 5.140 3.125 ( -0.859 -2.697 -0.705) 2.916 3.210 ( 0.814 1.080 -1.760) 2.220 3.261 ( -5.704 -1.574 0.751) 5.965 3.300 ( -2.288 0.542 -1.943) 3.050 3.422 ( 7.496 -6.095 -4.870) 10.819 3.573 ( 0.779 -1.794 1.839) 2.684 3.821 ( -4.187 2.803 0.890) 5.116 3.840 ( -3.277 0.713 -0.794) 3.446 4.127 ( -1.875 -2.598 1.952) 3.752 4.137 ( -2.449 -2.304 0.156) 3.366 4.223 ( -0.944 -0.087 1.354) 1.653 4.287 ( -2.687 1.195 -1.456) 3.282 4.385 ( -2.735 1.819 0.340) 3.302 4.463 ( 4.051 0.877 1.614) 4.448 4.484 ( 3.911 -0.319 -2.676) 4.749 4.583 ( 2.166 1.856 -0.599) 2.915 4.647 ( 3.705 -2.442 -1.858) 4.811 4.744 ( 11.358 0.285 0.740) 11.386 5.225 ( 1.240 -0.975 3.110) 3.488 5.356 ( -1.539 -2.019 -0.816) 2.666 5.446 ( -2.262 -1.543 0.750) 2.839 5.467 ( 4.118 -6.801 -6.398) 10.206 5.569 ( 2.180 -0.081 -0.333) 2.206 5.718 ( 8.755 -4.548 -4.097) 10.683 5.759 ( -2.671 -1.030 5.812) 6.479 6.005 ( -3.787 -3.415 -0.726) 5.151 6.184 ( 2.716 -2.151 9.996) 10.579 6.375 ( -12.186 -3.458 -1.994) 12.823 6.430 ( 5.664 -7.157 -4.897) 10.358 6.495 ( -11.886 -7.401 1.376) 14.069 6.713 ( 1.867 -0.278 -4.191) 4.596 6.918 ( 2.944 -4.137 5.357) 7.381 7.191 ( 10.164 0.122 -6.768) 12.212 7.241 ( 10.014 -3.688 2.291) 10.915 7.485 ( 3.368 -0.742 -0.008) 3.449 7.553 ( -0.408 1.576 -3.511) 3.870 7.744 ( -3.738 6.975 3.507) 8.656 7.805 ( -7.246 0.317 1.814) 7.476 8.661 ( 0.897 3.576 1.138) 3.858 8.812 ( 7.585 -2.929 -6.325) 10.302 8.913 ( -10.380 1.502 0.042) 10.488 9.216 ( -3.990 -2.586 0.102) 4.756 9.439 ( -5.984 6.314 0.772) 8.733 9.553 ( -0.084 7.334 1.214) 7.435 9.735 ( 4.298 3.970 0.826) 5.909 9.941 ( 6.634 -0.465 -1.695) 6.863 11.300 ( 1.450 1.303 1.167) 2.271 11.352 ( 3.573 -0.179 -1.191) 3.771 12.531 ( -0.734 2.799 -0.119) 2.896 12.557 ( 0.273 1.627 0.121) 1.654 12.689 ( -0.125 0.418 1.328) 1.397 12.752 ( 2.733 0.586 -1.084) 2.998 13.004 ( 0.135 0.073 -0.406) 0.434 13.015 ( 0.733 0.672 -0.419) 1.079 13.413 ( -3.755 0.823 3.920) 5.490 13.548 ( 0.072 -2.087 -2.706) 3.418 14.286 ( -1.632 -0.233 0.003) 1.649 14.308 ( -1.014 -1.031 0.428) 1.508 14.700 ( -1.378 1.349 2.757) 3.365 14.888 ( 6.506 -0.593 -2.319) 6.932 15.220 ( -5.425 -5.427 0.673) 7.703 15.291 ( -1.219 -6.845 3.533) 7.799 15.478 ( 0.120 -0.320 -1.948) 1.978 15.511 ( 1.430 1.049 -0.169) 1.781 15.636 ( -2.627 1.717 0.293) 3.152 15.709 ( -2.115 -4.607 -2.419) 5.617 15.992 ( -3.401 2.603 -1.401) 4.506 16.064 ( -2.997 0.916 -1.187) 3.351 16.197 ( 2.345 9.422 2.924) 10.140 16.363 ( 5.260 1.130 -3.298) 6.310 16.640 ( -4.941 -1.326 0.872) 5.190 16.818 ( 5.979 -1.342 2.089) 6.473 19.652 ( 0.668 -0.636 0.092) 0.927 19.670 ( 0.084 -0.559 -1.898) 1.980 19.801 ( -4.756 -6.427 7.155) 10.730 19.971 ( -0.035 -7.408 -3.237) 8.085 ======================= Grid point 80 (38/70) ======================= q-point: (-0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -1.701 10.804 0.389) 10.944 0.779 ( -9.210 8.778 6.819) 14.435 0.937 ( 3.933 4.466 -8.335) 10.242 1.016 ( -0.125 0.345 -1.798) 1.836 1.201 ( -3.827 -0.085 2.520) 4.583 1.224 ( -0.392 2.491 4.495) 5.154 1.240 ( 2.070 3.903 -3.060) 5.374 1.319 ( 1.905 -3.289 -2.312) 4.448 1.409 ( -0.356 8.148 2.476) 8.523 1.429 ( -2.373 0.416 1.562) 2.871 1.477 ( -3.366 1.227 0.242) 3.591 1.548 ( 1.330 7.450 -0.126) 7.569 1.568 ( 0.150 0.518 -0.560) 0.777 1.661 ( 2.095 1.024 -1.837) 2.969 1.685 ( 1.985 1.505 0.155) 2.496 1.774 ( 0.645 -0.131 -1.518) 1.654 1.833 ( 0.065 7.851 3.326) 8.527 1.848 ( -1.063 1.493 -1.106) 2.141 1.861 ( 2.334 0.884 -1.384) 2.854 1.931 ( 0.894 -0.072 4.522) 4.610 1.959 ( -3.377 -1.928 -2.681) 4.723 2.021 ( 2.367 -3.186 0.615) 4.017 2.095 ( -0.613 -0.004 1.849) 1.948 2.152 ( 0.229 0.607 -0.108) 0.658 2.230 ( 1.753 0.458 2.652) 3.212 2.250 ( -1.555 -1.232 -0.510) 2.049 2.287 ( 0.564 0.963 0.998) 1.498 2.326 ( -2.959 0.511 -5.512) 6.277 2.356 ( -2.272 -2.487 -0.237) 3.377 2.415 ( 1.285 1.011 1.183) 2.018 2.421 ( -2.229 -2.193 4.083) 5.143 2.506 ( 0.711 -2.450 -1.481) 2.950 2.530 ( 0.416 -1.380 0.894) 1.696 2.627 ( -2.251 0.752 -2.106) 3.172 2.644 ( -1.114 -2.476 0.698) 2.803 2.674 ( -0.511 -0.580 0.769) 1.090 2.739 ( -2.405 -0.170 0.459) 2.455 2.765 ( -0.551 -1.444 0.131) 1.551 2.801 ( -1.318 -0.111 0.598) 1.452 2.885 ( 0.948 -0.187 -4.743) 4.840 2.905 ( 0.813 0.848 0.587) 1.313 2.956 ( -2.775 2.013 -1.431) 3.715 3.017 ( -0.633 1.234 -4.604) 4.808 3.084 ( -1.789 1.401 -0.823) 2.416 3.129 ( -0.255 -0.262 -0.529) 0.643 3.159 ( -3.903 1.591 4.228) 5.970 3.234 ( 0.943 -0.776 1.883) 2.244 3.276 ( 0.315 -2.848 -1.886) 3.431 3.505 ( 2.636 -3.712 0.906) 4.642 3.586 ( 0.665 -1.653 0.466) 1.842 3.738 ( -5.192 0.986 0.625) 5.322 3.777 ( -3.639 -1.653 0.080) 3.998 4.073 ( -2.642 -1.924 -0.780) 3.360 4.127 ( -1.651 -2.721 2.347) 3.954 4.213 ( -2.380 2.344 -1.721) 3.758 4.232 ( 0.178 -0.263 1.060) 1.107 4.359 ( -0.379 2.348 -1.202) 2.665 4.515 ( 2.220 1.157 -2.146) 3.298 4.536 ( 1.624 0.870 -0.893) 2.048 4.612 ( 2.003 -0.545 -2.227) 3.045 4.730 ( 5.995 -5.053 3.594) 8.625 4.897 ( 2.483 -3.353 3.662) 5.551 5.284 ( 1.109 -1.856 2.211) 3.092 5.342 ( 2.597 -1.296 -0.893) 3.036 5.468 ( 6.137 -2.585 -2.449) 7.095 5.496 ( 4.193 -6.057 -4.807) 8.796 5.605 ( 0.909 0.745 0.648) 1.342 5.749 ( 2.029 -4.999 -0.576) 5.426 5.876 ( 2.473 -3.834 0.185) 4.566 5.893 ( -2.914 -0.816 1.298) 3.293 6.162 ( -10.142 -3.244 -0.597) 10.665 6.251 ( -7.047 -1.720 -1.755) 7.463 6.376 ( -2.255 -3.893 13.269) 14.011 6.508 ( 8.152 -5.538 -5.259) 11.170 6.800 ( 14.473 -1.038 -9.045) 17.098 6.964 ( -5.628 -3.010 7.760) 10.048 7.230 ( 0.178 -0.135 -1.584) 1.600 7.312 ( -0.640 -0.441 -2.166) 2.301 7.542 ( -1.751 -2.773 1.890) 3.785 7.591 ( 8.662 2.094 -5.237) 10.336 7.694 ( -1.659 2.434 2.590) 3.923 7.777 ( 0.921 2.077 3.199) 3.924 8.624 ( -5.856 6.131 1.465) 8.604 8.805 ( 0.528 0.405 -0.378) 0.765 8.893 ( 3.708 -2.264 -3.711) 5.714 9.081 ( -6.573 -4.613 -4.590) 9.249 9.361 ( -4.610 6.896 1.924) 8.515 9.494 ( -3.938 6.497 -1.423) 7.729 9.886 ( 7.306 2.703 3.822) 8.677 10.043 ( 5.172 1.764 0.331) 5.474 11.347 ( 2.205 0.687 1.218) 2.611 11.404 ( 3.061 -0.642 -0.610) 3.187 12.526 ( 0.471 1.979 -0.333) 2.062 12.546 ( -1.263 0.255 -0.176) 1.301 12.704 ( -0.176 0.783 1.959) 2.117 12.797 ( 3.592 0.288 -1.829) 4.041 13.005 ( 0.310 0.038 -0.194) 0.368 13.024 ( 0.748 0.554 -0.521) 1.067 13.383 ( -3.864 1.843 3.948) 5.824 13.522 ( 0.247 -1.362 -2.749) 3.078 14.258 ( -1.305 -0.147 0.029) 1.314 14.290 ( -1.299 -1.305 0.168) 1.849 14.717 ( -0.826 1.085 4.564) 4.763 14.976 ( 6.418 -1.508 -3.710) 7.565 15.130 ( -4.686 -4.525 0.164) 6.516 15.276 ( -4.236 -11.290 1.637) 12.169 15.467 ( 0.502 1.098 -0.608) 1.352 15.531 ( -0.600 -1.278 -0.018) 1.411 15.587 ( -0.928 2.816 -0.900) 3.099 15.634 ( -2.532 -0.039 -2.467) 3.535 15.943 ( -2.183 2.556 0.805) 3.456 16.006 ( -1.498 1.482 -1.896) 2.834 16.297 ( 3.453 10.708 6.659) 13.074 16.395 ( 1.799 0.683 -1.211) 2.274 16.551 ( -4.737 -1.846 -0.860) 5.156 16.937 ( 6.069 -3.277 -3.025) 7.531 19.651 ( -0.297 -0.752 -0.569) 0.988 19.664 ( 0.470 -0.086 -0.934) 1.049 19.769 ( -6.050 -5.271 6.425) 10.279 19.943 ( 0.165 -6.066 -2.802) 6.684 ======================= Grid point 81 (39/70) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 0.244 5.960 3.955) 7.157 0.869 ( -1.695 5.023 3.000) 6.091 0.950 ( -0.138 -2.479 -1.808) 3.071 0.991 ( 0.779 2.622 -5.698) 6.320 1.161 ( -1.828 2.992 -0.867) 3.612 1.242 ( -2.095 0.007 0.442) 2.142 1.319 ( -0.836 2.489 0.999) 2.809 1.343 ( 6.099 2.467 -4.547) 7.997 1.380 ( -0.715 -2.111 2.497) 3.347 1.468 ( -0.460 0.356 2.304) 2.377 1.511 ( -4.012 -4.706 2.749) 6.767 1.589 ( 2.490 0.091 1.835) 3.094 1.633 ( -1.500 5.466 2.873) 6.355 1.697 ( 0.399 0.405 -2.933) 2.988 1.715 ( 6.544 0.996 -6.301) 9.139 1.786 ( 1.802 1.168 -3.753) 4.323 1.813 ( -0.744 -1.316 -0.127) 1.517 1.866 ( 0.120 1.240 1.373) 1.854 1.954 ( -0.914 -0.106 -1.683) 1.918 1.976 ( 2.237 3.647 0.751) 4.344 2.010 ( -3.943 -1.947 1.999) 4.830 2.046 ( -3.150 -1.156 3.004) 4.503 2.093 ( 0.819 -2.173 -0.320) 2.344 2.167 ( 1.365 -0.757 1.045) 1.879 2.182 ( -2.522 9.670 -0.403) 10.002 2.202 ( 0.716 -0.348 2.830) 2.940 2.282 ( -4.064 -2.707 0.748) 4.940 2.328 ( -1.042 -0.672 -3.476) 3.690 2.403 ( 2.858 1.519 1.848) 3.727 2.407 ( 0.919 2.177 -0.127) 2.367 2.431 ( 0.397 2.071 0.463) 2.159 2.477 ( 0.080 2.016 -0.173) 2.025 2.536 ( -1.957 -3.541 0.009) 4.045 2.582 ( 2.415 2.050 2.915) 4.305 2.586 ( -0.353 -0.914 -1.532) 1.818 2.679 ( 1.200 0.491 -0.053) 1.298 2.725 ( 1.093 -1.404 2.354) 2.950 2.757 ( -0.452 1.738 -1.147) 2.131 2.825 ( 0.063 -1.243 3.886) 4.081 2.835 ( 0.903 -1.558 -3.333) 3.789 2.871 ( -2.917 -1.854 -0.388) 3.478 2.909 ( -0.645 -1.507 -1.249) 2.061 3.020 ( -4.073 1.318 -0.997) 4.395 3.083 ( 1.502 1.243 0.429) 1.997 3.106 ( 1.946 2.033 -2.851) 4.006 3.179 ( -1.884 1.788 -0.550) 2.655 3.242 ( 1.258 0.666 -0.253) 1.446 3.319 ( 2.935 3.859 -2.879) 5.639 3.546 ( -0.727 0.786 3.234) 3.407 3.572 ( 1.102 -6.380 1.758) 6.709 3.653 ( -0.216 -1.629 0.387) 1.688 3.662 ( 0.603 -1.792 -0.270) 1.910 4.017 ( -0.640 -1.219 -1.113) 1.771 4.048 ( -0.591 -2.609 -1.504) 3.068 4.246 ( -0.498 2.026 1.029) 2.326 4.267 ( 1.163 0.727 1.727) 2.205 4.390 ( -0.195 2.366 -1.187) 2.654 4.489 ( -2.020 -2.084 -3.520) 4.562 4.540 ( -1.556 1.714 -1.778) 2.919 4.580 ( 0.895 -1.442 -1.618) 2.345 4.766 ( 2.759 -2.219 5.484) 6.528 4.839 ( -1.275 -3.680 0.359) 3.911 5.274 ( -2.695 -2.212 1.167) 3.677 5.330 ( 3.632 -2.357 -0.560) 4.366 5.376 ( 2.050 -4.835 -1.018) 5.349 5.460 ( -1.923 -6.034 -1.953) 6.627 5.643 ( 7.792 -0.772 0.275) 7.835 5.657 ( -5.235 -0.849 -0.168) 5.306 5.729 ( -4.703 -2.063 -0.391) 5.150 5.802 ( 2.118 -7.538 -2.732) 8.293 6.086 ( 0.526 2.488 2.489) 3.558 6.159 ( -0.490 -0.129 -0.094) 0.516 6.414 ( -6.034 1.174 6.913) 9.251 6.520 ( 1.621 -5.407 3.490) 6.637 6.857 ( -2.472 0.167 -3.759) 4.503 6.943 ( 9.439 -3.873 -6.262) 11.971 7.273 ( 2.176 2.415 0.273) 3.262 7.305 ( 4.615 0.224 0.426) 4.640 7.452 ( -7.085 0.803 3.834) 8.096 7.554 ( -0.514 -4.423 -3.185) 5.474 7.813 ( 0.580 2.529 2.397) 3.532 7.818 ( -3.474 1.617 2.928) 4.822 8.680 ( -0.619 4.099 -0.243) 4.153 8.820 ( -0.267 -1.498 -3.626) 3.932 8.843 ( 1.421 -0.405 -2.300) 2.733 8.900 ( 0.767 -3.223 -2.067) 3.905 9.484 ( -0.253 7.170 1.769) 7.389 9.553 ( 0.723 4.097 -1.283) 4.354 10.026 ( 0.207 1.248 3.046) 3.298 10.091 ( -0.112 -1.480 0.026) 1.484 11.384 ( -1.070 0.418 1.353) 1.775 11.412 ( 0.170 -1.207 0.647) 1.380 12.538 ( -0.982 1.218 0.589) 1.672 12.558 ( 0.156 0.520 0.732) 0.911 12.738 ( 0.064 1.416 0.256) 1.440 12.799 ( 0.786 -1.383 -1.822) 2.419 13.013 ( 0.119 0.389 0.034) 0.408 13.030 ( 0.217 -0.140 -0.687) 0.734 13.412 ( -1.575 2.636 1.800) 3.560 13.494 ( 1.531 -1.361 -1.727) 2.679 14.248 ( 0.143 0.024 0.178) 0.230 14.256 ( -0.290 -0.498 -0.121) 0.588 14.762 ( -1.069 1.416 3.077) 3.552 14.932 ( 1.505 -6.325 -4.440) 7.873 15.028 ( 0.443 -2.270 0.113) 2.316 15.043 ( -1.440 -3.662 -0.126) 3.937 15.521 ( 1.410 1.617 1.062) 2.394 15.539 ( 0.914 0.584 1.077) 1.529 15.593 ( -0.697 0.463 -1.283) 1.532 15.606 ( -1.182 -0.398 -1.000) 1.598 15.968 ( -0.125 1.972 0.163) 1.982 16.008 ( 1.292 0.211 -1.130) 1.730 16.433 ( -0.741 1.625 0.494) 1.853 16.470 ( 0.091 -0.225 -0.793) 0.830 16.591 ( 0.811 6.940 6.529) 9.563 16.834 ( -1.208 -4.848 -4.650) 6.825 19.634 ( -0.974 0.830 0.521) 1.382 19.681 ( 0.984 1.157 -0.929) 1.780 19.702 ( -1.576 -1.778 3.160) 3.953 19.823 ( 1.225 -5.127 -2.256) 5.734 ======================= Grid point 82 (40/70) ======================= q-point: ( 0.17 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.966 5.446 1.621) 5.763 0.889 ( 0.332 1.059 -2.141) 2.411 0.973 ( 2.192 4.680 1.496) 5.380 0.993 ( 4.229 1.249 -0.540) 4.442 1.077 ( -3.241 4.352 -1.379) 5.598 1.226 ( -1.705 0.713 1.627) 2.462 1.316 ( -1.183 4.024 2.589) 4.929 1.377 ( -1.471 -1.760 1.723) 2.869 1.412 ( 5.599 -1.148 -3.927) 6.934 1.466 ( 2.683 -2.428 -1.137) 3.793 1.522 ( -1.636 0.034 3.663) 4.012 1.601 ( 0.323 1.990 -3.164) 3.752 1.648 ( -1.785 -1.981 -2.286) 3.512 1.668 ( -0.438 -0.632 1.135) 1.371 1.706 ( 1.040 1.806 -1.822) 2.768 1.775 ( 1.737 2.954 -2.916) 4.499 1.840 ( -0.975 -0.490 -0.039) 1.092 1.905 ( -0.133 1.025 -0.027) 1.034 1.922 ( 2.742 4.182 0.955) 5.091 1.966 ( -1.284 -0.056 -0.669) 1.449 2.025 ( 0.593 2.079 -0.642) 2.255 2.065 ( -2.181 2.195 3.775) 4.882 2.085 ( -1.291 -3.878 2.165) 4.625 2.143 ( 2.088 0.209 1.962) 2.873 2.173 ( -0.135 -0.214 -0.072) 0.264 2.235 ( -1.773 -3.849 2.313) 4.828 2.275 ( 2.662 3.098 2.160) 4.620 2.317 ( 0.430 -0.273 -1.097) 1.209 2.370 ( -1.673 1.565 -3.997) 4.607 2.392 ( -2.127 -2.465 -1.362) 3.529 2.471 ( 2.542 3.408 1.218) 4.423 2.492 ( -0.130 0.806 2.442) 2.575 2.551 ( 2.165 1.714 1.793) 3.292 2.571 ( 1.523 1.388 -1.710) 2.678 2.624 ( -0.421 -0.742 2.459) 2.603 2.710 ( -0.051 1.239 -1.953) 2.313 2.738 ( 1.342 2.352 -1.725) 3.211 2.759 ( 0.617 -2.897 -1.993) 3.570 2.797 ( -0.983 0.813 -2.633) 2.925 2.860 ( 1.182 -2.374 1.637) 3.116 2.881 ( -2.036 -1.271 0.030) 2.400 2.904 ( 3.046 -0.558 1.444) 3.417 2.952 ( -1.792 -1.254 2.946) 3.669 3.088 ( 1.204 8.261 -2.023) 8.590 3.117 ( 0.126 -2.040 0.137) 2.049 3.154 ( -1.190 0.491 0.679) 1.455 3.261 ( 2.260 -2.061 -2.168) 3.749 3.366 ( 4.802 3.134 -1.952) 6.057 3.475 ( -5.909 -1.564 0.149) 6.114 3.562 ( 0.122 -4.504 1.161) 4.653 3.757 ( 7.838 0.966 1.005) 7.961 3.789 ( 8.119 0.193 0.904) 8.172 4.000 ( -0.504 -2.323 -0.821) 2.515 4.042 ( 1.927 -3.755 -0.680) 4.275 4.232 ( -1.414 2.414 -0.222) 2.807 4.289 ( -0.889 -0.120 0.107) 0.904 4.390 ( 0.103 1.644 0.737) 1.804 4.433 ( 0.821 0.130 -0.409) 0.926 4.514 ( -1.068 0.389 0.012) 1.136 4.575 ( -0.083 -1.722 -0.834) 1.916 4.783 ( -3.304 -2.829 -1.278) 4.534 4.820 ( -3.128 -2.042 1.915) 4.197 5.211 ( -3.763 -1.670 -0.039) 4.118 5.346 ( -1.122 -5.879 -2.156) 6.362 5.389 ( -0.244 -1.558 1.814) 2.404 5.425 ( -0.132 -4.714 -1.840) 5.062 5.568 ( -4.027 -0.163 1.303) 4.236 5.625 ( -3.367 -2.921 -0.815) 4.532 5.797 ( 7.093 -0.043 -0.961) 7.158 5.885 ( 5.927 -5.375 -2.075) 8.266 6.122 ( -0.149 2.099 4.380) 4.860 6.200 ( 4.682 0.277 0.009) 4.691 6.323 ( -6.297 -0.316 3.448) 7.186 6.496 ( -7.681 -8.740 2.874) 11.985 6.749 ( -2.575 2.584 -4.960) 6.157 6.943 ( -4.150 -7.219 -1.888) 8.538 7.266 ( -2.883 4.790 -2.298) 6.045 7.373 ( -1.425 -1.365 -2.889) 3.498 7.462 ( 5.051 -0.134 1.693) 5.329 7.521 ( -1.732 -2.898 0.438) 3.404 7.775 ( -2.393 3.779 3.191) 5.494 7.829 ( -0.566 1.709 3.795) 4.200 8.691 ( 0.637 2.161 -0.105) 2.256 8.790 ( -0.667 -2.603 -2.476) 3.654 8.885 ( 3.585 0.355 -2.643) 4.468 8.931 ( 9.526 -2.193 -1.074) 9.834 9.519 ( 2.274 7.224 0.964) 7.634 9.598 ( 4.833 4.160 -1.011) 6.457 9.991 ( -6.470 1.782 1.625) 6.905 10.041 ( -5.890 -1.737 0.591) 6.169 11.351 ( -3.338 0.915 0.789) 3.550 11.403 ( -2.146 -1.732 0.756) 2.860 12.538 ( 0.335 1.986 0.609) 2.104 12.576 ( 1.087 0.204 0.579) 1.248 12.731 ( -1.227 1.311 0.412) 1.842 12.781 ( -0.814 -1.051 -1.651) 2.119 13.014 ( -0.069 0.263 0.091) 0.286 13.024 ( 0.020 -0.018 -0.754) 0.754 13.407 ( -0.711 2.723 1.469) 3.174 13.510 ( 1.764 -2.027 -1.367) 3.014 14.260 ( 0.945 -0.139 -0.153) 0.967 14.266 ( 1.514 -0.204 0.265) 1.550 14.762 ( -2.550 0.776 3.208) 4.171 14.876 ( -1.973 -4.400 -4.016) 6.275 15.074 ( 3.721 -3.332 0.848) 5.067 15.078 ( 4.600 -2.917 -0.275) 5.454 15.518 ( -1.977 0.446 -0.637) 2.124 15.539 ( -0.838 -0.588 -0.037) 1.024 15.596 ( 1.620 1.089 -0.472) 2.009 15.626 ( 3.320 -0.004 0.724) 3.398 15.983 ( 2.018 2.238 -0.446) 3.046 16.038 ( 3.352 -0.006 -1.249) 3.577 16.391 ( -3.381 4.044 0.734) 5.323 16.511 ( 3.196 -1.769 -0.180) 3.657 16.632 ( -4.357 3.333 4.485) 7.086 16.743 ( -2.166 -1.422 -3.212) 4.127 19.625 ( -0.572 1.098 0.383) 1.296 19.688 ( 0.359 0.105 -0.421) 0.563 19.707 ( -1.093 -1.553 2.654) 3.263 19.829 ( 1.866 -5.584 -2.100) 6.251 ======================= Grid point 83 (41/70) ======================= q-point: ( 0.33 0.38 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -0.599 4.566 -5.120) 6.886 0.868 ( 2.393 2.156 0.020) 3.221 1.022 ( 3.346 6.815 0.812) 7.635 1.082 ( 0.678 0.117 4.239) 4.295 1.095 ( 2.199 0.976 4.107) 4.759 1.217 ( -0.981 2.032 1.902) 2.951 1.298 ( -4.148 3.626 3.160) 6.351 1.404 ( 2.111 -1.279 0.107) 2.470 1.445 ( 1.435 1.623 -3.830) 4.400 1.507 ( 2.877 1.504 -1.590) 3.615 1.518 ( 3.375 -1.127 -3.333) 4.875 1.581 ( -0.715 -3.014 -2.601) 4.045 1.611 ( 1.935 -1.608 -1.244) 2.807 1.664 ( -1.540 0.179 1.057) 1.877 1.714 ( 1.232 0.091 -1.534) 1.970 1.750 ( -2.744 -0.449 -0.169) 2.786 1.826 ( -0.886 5.369 0.854) 5.508 1.888 ( 0.658 1.682 -2.349) 2.963 1.929 ( -0.502 2.601 -0.939) 2.811 1.954 ( 0.594 1.363 -0.363) 1.531 2.010 ( 0.094 2.886 -0.217) 2.896 2.079 ( 0.105 -3.196 4.907) 5.857 2.100 ( -7.234 0.170 -2.763) 7.746 2.135 ( 0.072 0.800 -2.943) 3.050 2.176 ( -0.525 -2.791 3.985) 4.894 2.235 ( -0.230 -2.710 -0.722) 2.814 2.310 ( 2.438 -0.771 1.514) 2.971 2.352 ( 1.177 -1.372 0.794) 1.974 2.369 ( 1.691 2.906 3.071) 4.553 2.393 ( 3.083 0.263 0.850) 3.209 2.483 ( -1.132 4.780 -0.065) 4.912 2.549 ( -1.260 2.344 -2.487) 3.643 2.561 ( 2.991 1.156 2.789) 4.249 2.594 ( 0.383 -0.072 -2.020) 2.057 2.630 ( 2.247 -1.397 -3.185) 4.141 2.684 ( -0.465 -0.834 1.465) 1.748 2.735 ( 1.293 2.772 0.252) 3.069 2.763 ( 0.270 -0.890 -0.497) 1.054 2.787 ( 1.202 -1.019 0.653) 1.706 2.820 ( -3.133 -1.524 2.077) 4.056 2.868 ( -0.851 -0.445 0.295) 1.005 2.966 ( -0.153 -0.464 1.458) 1.538 3.010 ( 4.098 -2.573 1.851) 5.181 3.102 ( 0.720 8.799 0.806) 8.865 3.124 ( 0.960 -3.946 0.259) 4.069 3.147 ( -0.643 -0.030 1.019) 1.206 3.244 ( -3.383 -6.406 0.417) 7.257 3.412 ( 1.096 1.238 -2.764) 3.221 3.432 ( 4.226 3.564 -2.716) 6.159 3.586 ( 1.642 -1.261 -1.433) 2.518 3.853 ( 1.949 0.841 0.628) 2.214 3.898 ( 1.936 -0.860 1.036) 2.358 4.006 ( 2.455 -0.290 1.040) 2.682 4.096 ( 3.977 -4.782 -0.203) 6.223 4.211 ( -0.373 2.352 -0.130) 2.385 4.270 ( 0.411 -0.325 -0.079) 0.530 4.410 ( 0.989 2.104 1.428) 2.728 4.484 ( 1.245 0.202 2.335) 2.654 4.506 ( 0.768 1.734 -0.133) 1.901 4.570 ( 0.536 -1.694 -0.154) 1.784 4.681 ( -5.480 -2.264 -3.028) 6.658 4.704 ( -10.128 -1.690 -1.445) 10.369 5.170 ( -1.056 -0.482 0.443) 1.242 5.320 ( 0.483 -6.850 -1.880) 7.120 5.397 ( -0.491 -1.300 1.762) 2.244 5.408 ( 0.622 -3.819 -1.534) 4.162 5.538 ( -0.947 1.330 0.922) 1.875 5.587 ( -0.599 -1.966 -1.088) 2.326 5.835 ( -1.399 -0.820 -0.685) 1.760 5.887 ( -1.691 -3.109 -2.607) 4.395 6.101 ( -7.375 2.494 6.925) 10.419 6.307 ( 2.229 -2.767 -2.067) 4.110 6.378 ( 5.989 -4.777 0.513) 7.678 6.442 ( 7.691 -8.773 3.111) 12.075 6.719 ( 3.950 1.885 -4.080) 5.983 6.842 ( -4.599 -4.059 -0.883) 6.197 7.092 ( -12.749 3.857 -1.448) 13.398 7.233 ( -10.686 -3.452 -2.322) 11.467 7.479 ( -1.605 -0.338 0.204) 1.653 7.549 ( 3.729 -3.493 -2.207) 5.565 7.825 ( 1.658 5.810 5.161) 7.946 7.895 ( 1.138 2.769 5.540) 6.297 8.672 ( -0.956 0.866 -1.400) 1.904 8.733 ( -1.346 -2.901 -3.867) 5.018 9.000 ( 10.580 3.220 -0.615) 11.076 9.116 ( 9.595 -2.955 -0.330) 10.045 9.556 ( 0.747 6.854 0.531) 6.915 9.666 ( 2.817 4.342 0.805) 5.238 9.878 ( -6.112 1.686 -1.497) 6.515 9.914 ( -8.519 -1.629 1.107) 8.744 11.307 ( -2.044 1.162 0.466) 2.397 11.360 ( -2.988 -1.552 0.284) 3.379 12.560 ( 1.395 2.585 0.602) 2.999 12.601 ( 0.863 0.654 0.512) 1.197 12.708 ( -1.616 1.072 0.331) 1.967 12.747 ( -1.244 -0.772 -1.231) 1.913 13.013 ( -0.102 0.219 0.006) 0.241 13.019 ( 0.163 0.135 -0.644) 0.678 13.418 ( 0.165 1.944 1.502) 2.462 13.521 ( 0.970 -2.685 -1.348) 3.157 14.280 ( 1.126 0.165 0.189) 1.153 14.295 ( 1.366 -0.342 0.203) 1.423 14.743 ( -2.708 0.614 2.483) 3.725 14.814 ( -1.025 -2.478 -2.569) 3.714 15.150 ( 3.012 -3.695 1.352) 4.955 15.151 ( 3.304 -2.842 0.210) 4.363 15.484 ( -0.949 -0.467 -1.110) 1.533 15.515 ( 0.017 -2.421 -2.191) 3.265 15.635 ( 1.534 1.985 1.639) 2.996 15.685 ( 2.529 -0.298 0.175) 2.553 16.022 ( 3.097 1.932 -0.982) 3.780 16.090 ( 3.958 -0.843 -1.626) 4.361 16.346 ( -2.840 6.127 1.364) 6.889 16.483 ( -6.560 2.695 -0.833) 7.141 16.608 ( 2.864 0.292 -0.124) 2.881 16.719 ( -2.240 -2.891 2.036) 4.186 19.624 ( -0.025 0.708 0.396) 0.812 19.683 ( -0.618 -1.032 0.085) 1.206 19.717 ( -0.520 -1.226 2.024) 2.423 19.840 ( 1.658 -6.543 -2.059) 7.057 ======================= Grid point 84 (42/70) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 4.928 3.217 -0.677) 5.924 0.884 ( -0.152 1.066 -3.013) 3.199 1.067 ( -1.951 4.961 3.668) 6.471 1.096 ( -2.140 1.595 2.041) 3.360 1.152 ( -0.766 -0.856 5.256) 5.381 1.238 ( -0.699 -0.919 1.701) 2.055 1.261 ( -1.007 6.909 2.596) 7.449 1.360 ( -1.962 2.519 -2.903) 4.316 1.463 ( 1.345 2.706 -4.608) 5.511 1.490 ( -0.874 2.589 -4.229) 5.035 1.542 ( 0.348 -0.305 1.341) 1.419 1.591 ( 5.516 -0.357 -1.276) 5.673 1.633 ( -0.216 -1.787 -0.783) 1.963 1.688 ( 1.107 -0.559 2.620) 2.899 1.716 ( 1.702 -0.815 1.327) 2.307 1.733 ( 0.414 2.222 -2.514) 3.381 1.806 ( -1.168 1.527 -0.152) 1.928 1.850 ( -0.558 -0.801 -4.556) 4.660 1.896 ( -0.812 0.429 -2.278) 2.456 1.948 ( -4.064 -3.947 -4.278) 7.099 1.997 ( 2.212 3.768 2.113) 4.854 2.056 ( 0.216 4.378 2.042) 4.835 2.066 ( 0.158 1.526 -2.896) 3.277 2.134 ( 1.548 -1.495 1.614) 2.690 2.184 ( -1.037 -1.389 1.754) 2.466 2.241 ( 0.269 -5.602 -0.698) 5.652 2.342 ( -1.946 1.849 -1.066) 2.888 2.373 ( 0.028 -2.965 0.139) 2.968 2.383 ( -0.347 -0.833 2.021) 2.214 2.431 ( -1.127 1.748 -2.299) 3.101 2.443 ( -1.370 2.083 3.388) 4.207 2.531 ( 1.012 1.823 0.729) 2.209 2.544 ( -0.204 2.985 -1.987) 3.592 2.619 ( -2.081 3.510 0.775) 4.154 2.677 ( 2.326 -1.124 0.936) 2.748 2.695 ( 2.375 1.779 -0.592) 3.026 2.769 ( 0.947 1.411 1.011) 1.977 2.795 ( 2.736 -0.742 2.008) 3.474 2.801 ( -1.297 1.433 1.151) 2.250 2.816 ( -1.904 -4.315 2.730) 5.450 2.869 ( -0.007 0.002 2.303) 2.303 2.950 ( -1.081 -3.634 -1.145) 3.961 3.068 ( -0.112 -2.632 1.730) 3.151 3.116 ( -0.841 -2.680 -1.429) 3.151 3.136 ( 1.404 3.990 3.326) 5.381 3.175 ( -0.750 -5.149 2.085) 5.606 3.202 ( -0.558 0.901 3.570) 3.724 3.384 ( -0.665 1.938 -4.321) 4.782 3.472 ( 1.436 3.297 -2.871) 4.602 3.559 ( 0.162 1.479 -5.097) 5.310 3.875 ( 0.451 -0.264 0.506) 0.727 3.890 ( -2.594 -1.175 0.666) 2.925 4.067 ( 0.883 -0.135 2.718) 2.861 4.133 ( 0.092 -3.157 -0.281) 3.171 4.235 ( 1.325 2.475 2.749) 3.929 4.305 ( 1.722 -0.030 0.911) 1.949 4.433 ( 0.022 0.746 0.663) 0.999 4.476 ( -7.738 -0.347 2.816) 8.242 4.500 ( -1.177 0.129 -5.215) 5.347 4.542 ( 1.675 -1.272 -1.621) 2.655 4.590 ( 1.256 0.133 -1.590) 2.030 4.623 ( 4.441 -0.285 -0.918) 4.544 5.176 ( 0.288 -0.074 1.684) 1.710 5.306 ( 0.304 -5.881 -2.845) 6.540 5.396 ( -1.640 -2.054 0.999) 2.812 5.411 ( 0.138 -3.989 -0.206) 3.997 5.541 ( -0.100 0.701 0.450) 0.839 5.601 ( 5.405 0.829 -3.561) 6.526 5.764 ( -5.567 -1.552 2.092) 6.146 5.878 ( 3.778 -5.151 -1.817) 6.642 6.075 ( -2.267 -0.180 5.342) 5.806 6.246 ( 0.409 -7.312 -3.155) 7.974 6.510 ( -2.403 -2.460 1.651) 3.814 6.533 ( -5.819 -4.483 2.613) 7.796 6.774 ( 4.843 -0.504 -2.136) 5.317 6.778 ( -0.880 -0.937 -4.122) 4.318 6.987 ( 5.795 1.617 2.025) 6.348 7.081 ( 0.994 -2.455 -2.710) 3.789 7.463 ( -0.824 0.338 0.863) 1.240 7.558 ( 0.992 -4.152 -3.884) 5.771 7.876 ( -2.637 4.968 5.808) 8.085 7.921 ( -5.318 2.540 6.081) 8.468 8.668 ( 2.684 1.153 -1.947) 3.511 8.707 ( 4.090 -1.872 -5.129) 6.822 9.128 ( -3.174 2.248 0.742) 3.960 9.179 ( 3.002 -0.149 -1.653) 3.430 9.590 ( 1.133 4.867 3.483) 6.091 9.692 ( -2.967 7.792 1.745) 8.519 9.777 ( 1.107 -3.984 -2.336) 4.750 9.830 ( -1.394 0.789 -1.497) 2.193 11.299 ( 0.350 0.762 0.676) 1.077 11.324 ( -0.740 -0.775 -0.281) 1.108 12.587 ( 0.714 2.379 0.566) 2.548 12.603 ( -1.438 1.714 0.733) 2.354 12.693 ( -0.092 0.687 -0.061) 0.696 12.727 ( 0.676 -0.716 -0.939) 1.361 13.011 ( -0.037 0.311 -0.132) 0.340 13.018 ( 0.435 0.195 -0.477) 0.675 13.434 ( -0.511 1.099 1.887) 2.242 13.517 ( 0.434 -2.728 -1.705) 3.246 14.295 ( 0.012 0.203 0.562) 0.598 14.308 ( -0.101 -0.257 0.051) 0.281 14.725 ( -1.562 0.915 1.676) 2.467 14.800 ( 1.830 -2.320 -1.563) 3.342 15.179 ( -1.093 -3.197 1.225) 3.594 15.190 ( 0.358 -3.028 0.968) 3.199 15.465 ( 0.244 -1.017 -1.220) 1.607 15.500 ( 0.834 -2.456 -2.624) 3.689 15.667 ( -0.040 1.170 2.014) 2.329 15.702 ( -0.375 -0.249 -0.675) 0.812 16.054 ( 1.221 1.254 -1.143) 2.091 16.116 ( 0.178 -1.323 -1.718) 2.176 16.341 ( 0.960 8.207 1.339) 8.371 16.389 ( -2.087 5.419 -0.184) 5.809 16.665 ( 1.069 -1.564 1.235) 2.261 16.686 ( -1.292 -4.067 0.493) 4.296 19.631 ( 0.360 0.173 0.546) 0.676 19.672 ( -0.582 -0.906 -0.060) 1.078 19.725 ( -1.154 -1.629 2.187) 2.961 19.842 ( 1.111 -6.726 -2.319) 7.201 ======================= Grid point 85 (43/70) ======================= q-point: (-0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -2.988 4.320 -4.311) 6.795 0.926 ( 5.427 -1.406 -1.160) 5.725 1.021 ( -7.344 6.044 4.150) 10.377 1.079 ( -1.633 3.305 0.824) 3.777 1.180 ( -2.850 -2.502 6.695) 7.694 1.232 ( -0.060 0.777 2.130) 2.268 1.292 ( -2.211 5.155 3.644) 6.689 1.319 ( 2.031 2.376 -4.351) 5.358 1.397 ( -1.505 -1.073 -1.961) 2.695 1.495 ( 3.519 1.690 -4.043) 5.620 1.535 ( -4.162 -1.343 1.160) 4.525 1.585 ( -0.581 -0.013 -1.811) 1.902 1.621 ( -1.559 2.691 -2.613) 4.062 1.683 ( 2.918 1.805 -1.282) 3.663 1.730 ( 0.334 2.828 -2.323) 3.675 1.816 ( 0.094 0.382 -2.872) 2.899 1.823 ( 4.361 0.354 2.389) 4.985 1.830 ( 3.531 -1.236 0.041) 3.741 1.852 ( -1.324 -4.042 -0.232) 4.259 1.926 ( 4.304 -0.700 1.949) 4.776 2.000 ( -1.289 2.496 -0.368) 2.833 2.037 ( -1.632 2.813 -1.300) 3.503 2.118 ( -0.482 0.526 0.165) 0.732 2.148 ( -1.629 -1.366 -0.868) 2.296 2.156 ( 1.931 1.982 0.596) 2.830 2.235 ( -1.579 -4.540 2.629) 5.478 2.310 ( -1.460 1.511 1.228) 2.434 2.361 ( 0.381 -0.159 -0.662) 0.780 2.375 ( -0.666 -1.232 2.020) 2.458 2.421 ( 1.123 0.363 -0.879) 1.471 2.471 ( -0.323 2.637 -0.864) 2.794 2.515 ( -2.700 2.671 1.045) 3.939 2.532 ( -3.706 1.871 -0.189) 4.156 2.595 ( 0.664 -0.575 3.601) 3.706 2.656 ( -2.816 0.218 -1.447) 3.173 2.727 ( 0.296 4.293 -2.141) 4.807 2.754 ( -2.910 1.219 -0.599) 3.211 2.797 ( -0.373 -3.525 0.280) 3.556 2.837 ( -1.866 -0.154 -2.064) 2.787 2.840 ( 3.754 0.228 2.143) 4.328 2.872 ( -0.127 0.070 3.196) 3.199 2.933 ( -0.916 -4.845 0.384) 4.945 3.055 ( -2.530 -3.804 2.387) 5.155 3.091 ( -1.153 -3.614 -1.103) 3.950 3.153 ( -2.100 -1.481 3.288) 4.173 3.204 ( 0.021 4.619 4.779) 6.647 3.252 ( 0.785 -0.546 -2.080) 2.289 3.339 ( 2.642 0.229 -2.678) 3.769 3.397 ( -2.564 5.302 -5.530) 8.079 3.538 ( -0.361 -1.667 -0.949) 1.952 3.839 ( -3.470 -0.046 0.003) 3.470 3.860 ( -4.304 0.331 1.012) 4.434 4.075 ( -1.857 -2.162 1.918) 3.435 4.101 ( -2.873 -1.795 -0.702) 3.459 4.241 ( -1.576 1.831 0.744) 2.527 4.300 ( -2.578 -0.089 -0.810) 2.704 4.419 ( -0.846 1.533 1.826) 2.530 4.470 ( 3.744 0.844 1.562) 4.143 4.480 ( 1.523 -0.525 0.853) 1.823 4.575 ( 1.687 -2.923 -0.054) 3.375 4.631 ( 4.228 1.732 -3.718) 5.891 4.732 ( 8.497 -1.591 -1.563) 8.785 5.208 ( 1.111 -0.586 2.374) 2.686 5.284 ( 1.487 -5.037 -4.054) 6.635 5.357 ( -2.758 -2.573 -0.089) 3.773 5.418 ( 1.415 -2.284 0.503) 2.734 5.552 ( 0.582 -1.326 0.864) 1.686 5.640 ( 0.783 -4.252 -1.056) 4.451 5.762 ( 5.035 2.600 -1.125) 5.777 5.928 ( 1.705 -4.394 -1.760) 5.031 6.153 ( 3.867 -0.469 8.499) 9.349 6.273 ( 2.019 -6.357 -2.392) 7.086 6.331 ( -11.675 -2.163 0.267) 11.877 6.382 ( -9.711 -4.521 0.875) 10.748 6.727 ( 1.681 1.790 -4.259) 4.916 6.841 ( 3.128 -3.576 0.802) 4.818 7.173 ( 10.647 -0.360 -3.122) 11.101 7.214 ( 10.735 -0.936 -1.708) 10.911 7.477 ( 2.062 0.152 1.075) 2.330 7.538 ( 2.030 -2.166 -2.610) 3.953 7.846 ( -9.136 3.077 5.622) 11.160 7.852 ( -5.542 3.403 4.821) 8.096 8.716 ( 3.776 1.968 -0.473) 4.284 8.766 ( 7.576 -1.636 -5.068) 9.260 8.966 ( -11.409 3.699 0.071) 11.994 9.141 ( -7.612 -4.664 -0.512) 8.942 9.573 ( -4.207 6.939 0.500) 8.130 9.691 ( -3.361 5.347 1.338) 6.456 9.791 ( 6.496 1.775 -1.289) 6.856 9.907 ( 8.171 -2.565 0.407) 8.574 11.319 ( 1.363 0.627 0.613) 1.621 11.344 ( 2.575 -0.638 0.145) 2.657 12.577 ( -2.053 1.709 0.772) 2.780 12.585 ( -1.416 1.161 0.395) 1.873 12.704 ( 1.161 1.132 0.050) 1.623 12.751 ( 2.762 -0.660 -1.005) 3.013 13.009 ( 0.083 0.456 -0.212) 0.509 13.023 ( 0.626 0.099 -0.423) 0.762 13.433 ( -1.729 1.310 2.014) 2.961 13.507 ( 0.430 -2.181 -1.871) 2.906 14.286 ( -1.485 0.206 0.193) 1.511 14.295 ( -1.335 -0.333 0.200) 1.390 14.726 ( -0.216 1.589 1.518) 2.208 14.843 ( 4.626 -3.590 -1.633) 6.079 15.139 ( -4.484 -2.559 0.928) 5.245 15.177 ( -3.067 -4.415 0.854) 5.443 15.468 ( 1.245 -0.641 -1.057) 1.754 15.494 ( 1.275 -1.999 -1.918) 3.050 15.668 ( -2.279 0.318 0.298) 2.321 15.671 ( -1.773 1.141 0.954) 2.314 16.032 ( -2.352 1.589 -0.637) 2.909 16.074 ( -2.258 -0.110 -1.878) 2.939 16.370 ( 1.332 6.769 1.736) 7.114 16.425 ( 4.408 5.023 -0.970) 6.753 16.610 ( -4.377 -1.186 0.059) 4.536 16.755 ( 4.620 -4.719 1.574) 6.789 19.643 ( 0.263 -0.174 0.372) 0.488 19.666 ( -0.046 -0.254 0.118) 0.283 19.719 ( -2.019 -1.683 2.197) 3.425 19.836 ( 0.850 -6.112 -2.234) 6.563 ======================= Grid point 86 (44/70) ======================= q-point: (-0.17 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 0.070 6.734 0.218) 6.738 0.916 ( -6.652 5.360 3.432) 9.206 0.970 ( 1.266 -2.991 -3.086) 4.481 1.048 ( -0.707 4.945 -3.706) 6.220 1.170 ( -3.623 -3.842 4.053) 6.657 1.266 ( -0.626 1.542 3.484) 3.861 1.291 ( 0.707 2.952 1.162) 3.250 1.323 ( 2.101 2.285 -3.405) 4.608 1.370 ( 0.143 -2.033 -1.135) 2.333 1.470 ( -3.182 -2.076 2.430) 4.509 1.527 ( 1.680 2.233 -1.192) 3.038 1.577 ( 0.150 -0.336 -1.334) 1.383 1.606 ( 0.636 1.586 2.001) 2.631 1.692 ( 0.807 -2.129 -4.990) 5.485 1.712 ( 1.633 4.521 -1.941) 5.184 1.785 ( 1.451 1.176 -3.350) 3.836 1.857 ( -0.560 0.151 1.442) 1.555 1.873 ( -1.755 -1.833 -1.345) 2.872 1.893 ( 4.131 0.701 -0.114) 4.192 1.972 ( -1.618 2.135 0.962) 2.846 1.996 ( 1.800 2.231 2.564) 3.846 2.073 ( -1.261 -2.004 2.087) 3.157 2.082 ( 3.872 5.935 3.412) 7.865 2.150 ( -1.385 -0.700 0.105) 1.556 2.191 ( -2.107 -3.733 1.013) 4.404 2.241 ( 2.857 -2.417 2.472) 4.484 2.283 ( -5.217 4.041 -0.364) 6.609 2.344 ( 0.025 0.281 -1.592) 1.616 2.397 ( -0.846 -0.186 3.686) 3.787 2.410 ( -1.249 6.849 -2.292) 7.330 2.422 ( -0.657 -0.077 -1.431) 1.577 2.481 ( 0.792 0.452 -1.281) 1.572 2.508 ( -1.149 -1.695 2.031) 2.884 2.598 ( -0.472 -0.782 -0.493) 1.038 2.618 ( -1.964 -0.040 -1.526) 2.488 2.693 ( -2.893 -1.468 0.334) 3.261 2.730 ( 0.053 -0.560 -1.471) 1.575 2.756 ( -0.523 1.173 0.293) 1.317 2.794 ( -0.848 0.428 -0.296) 0.995 2.880 ( -3.057 0.733 1.418) 3.449 2.912 ( 1.518 -2.449 -0.696) 2.964 2.918 ( -0.499 -0.642 0.856) 1.181 3.037 ( -1.653 -4.987 2.605) 5.864 3.069 ( 0.862 -2.757 -1.813) 3.411 3.140 ( -2.453 7.742 -1.258) 8.218 3.213 ( 1.684 -1.784 -0.853) 2.597 3.222 ( -2.640 1.704 0.956) 3.285 3.325 ( 0.453 6.001 -4.034) 7.245 3.436 ( 7.526 -3.137 0.217) 8.157 3.529 ( -0.693 -3.373 2.181) 4.076 3.740 ( -7.672 -0.676 -0.002) 7.702 3.764 ( -7.384 -0.188 1.033) 7.458 4.048 ( -1.849 -1.074 -1.072) 2.392 4.067 ( -0.594 -2.822 0.147) 2.888 4.239 ( 0.221 1.142 0.717) 1.366 4.252 ( -1.102 1.106 -0.430) 1.619 4.410 ( -0.630 2.952 -0.784) 3.119 4.501 ( 1.363 -0.736 0.028) 1.549 4.572 ( 1.087 -0.747 -0.104) 1.324 4.616 ( -0.026 -1.643 -4.920) 5.187 4.635 ( 4.377 0.620 5.033) 6.699 4.829 ( 2.781 -3.931 0.166) 4.818 5.249 ( 1.423 -1.621 1.510) 2.633 5.297 ( 3.988 -4.331 -3.196) 6.699 5.344 ( 1.169 -2.828 0.324) 3.078 5.467 ( 3.241 -2.909 -0.762) 4.421 5.566 ( 0.300 -2.940 1.009) 3.123 5.653 ( 2.207 -4.432 -0.186) 4.955 5.816 ( 0.167 -0.501 -3.322) 3.363 5.878 ( -5.529 -1.590 0.523) 5.777 6.113 ( -8.148 -0.678 1.703) 8.352 6.200 ( -5.382 -3.033 1.208) 6.295 6.349 ( 4.948 -0.085 7.531) 9.012 6.414 ( 6.810 -3.812 -0.337) 7.812 6.789 ( 12.143 0.323 -7.759) 14.414 6.890 ( 1.110 -4.058 1.097) 4.348 7.232 ( 0.976 0.673 -0.904) 1.491 7.295 ( 1.873 -1.520 -2.351) 3.368 7.518 ( -1.684 0.443 2.001) 2.653 7.584 ( 2.801 -1.681 -3.031) 4.456 7.774 ( -2.483 4.155 4.099) 6.343 7.820 ( -2.275 1.741 3.911) 4.848 8.735 ( -3.823 5.225 -0.012) 6.475 8.815 ( 2.129 0.469 -2.742) 3.503 8.856 ( 1.738 -1.146 -0.716) 2.202 8.975 ( -7.695 -5.731 -3.022) 10.059 9.506 ( -3.668 7.249 0.795) 8.163 9.604 ( -4.734 3.813 -0.923) 6.148 9.934 ( 6.979 2.323 1.964) 7.613 10.039 ( 5.642 -1.890 0.623) 5.982 11.359 ( 2.042 0.546 0.913) 2.302 11.389 ( 1.823 -0.895 0.646) 2.131 12.556 ( -1.442 0.888 0.670) 1.821 12.560 ( -1.403 0.993 0.555) 1.807 12.726 ( 1.063 1.419 0.152) 1.779 12.787 ( 2.447 -1.161 -1.425) 3.060 13.010 ( 0.202 0.494 -0.132) 0.550 13.029 ( 0.547 -0.086 -0.530) 0.766 13.422 ( -1.716 2.097 1.970) 3.351 13.495 ( 0.527 -1.483 -1.884) 2.455 14.259 ( -1.411 0.189 -0.025) 1.423 14.272 ( -1.444 -0.568 0.136) 1.558 14.744 ( 0.054 1.982 2.138) 2.916 14.907 ( 4.889 -5.222 -2.973) 7.747 15.064 ( -4.330 -2.130 0.561) 4.858 15.108 ( -4.901 -5.465 0.075) 7.341 15.487 ( 1.843 0.703 -0.327) 2.000 15.508 ( 1.652 -0.938 -0.429) 1.947 15.629 ( -2.012 1.383 -0.040) 2.442 15.642 ( -2.416 0.442 0.245) 2.468 15.986 ( -2.144 1.817 0.054) 2.811 16.022 ( -1.259 0.167 -1.684) 2.109 16.411 ( 1.874 2.398 0.091) 3.044 16.487 ( 1.682 2.847 1.841) 3.785 16.543 ( -2.680 5.062 0.801) 5.783 16.839 ( 3.648 -6.302 -0.891) 7.336 19.644 ( -0.480 0.108 0.303) 0.578 19.673 ( 0.654 0.494 -0.114) 0.828 19.704 ( -2.026 -1.348 2.449) 3.453 19.828 ( 0.761 -5.484 -2.113) 5.926 ======================= Grid point 87 (45/70) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 0.402 -3.232 0.416) 3.283 0.869 ( 0.402 3.232 0.416) 3.283 0.974 ( -0.995 -3.298 -0.256) 3.454 0.974 ( -0.995 3.298 -0.256) 3.454 1.248 ( 0.528 -4.364 1.078) 4.526 1.248 ( 0.528 4.364 1.078) 4.526 1.311 ( -0.887 -2.659 -1.636) 3.245 1.311 ( -0.887 2.659 -1.636) 3.245 1.419 ( -0.234 -4.045 2.990) 5.036 1.419 ( -0.234 4.045 2.990) 5.036 1.540 ( -0.300 -4.660 0.596) 4.707 1.540 ( -0.300 4.660 0.596) 4.707 1.701 ( 2.817 -0.599 -4.326) 5.197 1.701 ( 2.817 0.599 -4.326) 5.197 1.748 ( 1.480 -2.497 -2.015) 3.534 1.748 ( 1.480 2.497 -2.015) 3.534 1.848 ( 1.535 -2.593 0.550) 3.063 1.848 ( 1.535 2.593 0.550) 3.063 1.969 ( -2.800 -1.848 0.432) 3.382 1.969 ( -2.800 1.848 0.432) 3.382 2.038 ( -2.099 -2.206 1.035) 3.216 2.038 ( -2.099 2.206 1.035) 3.216 2.085 ( 0.632 -4.007 1.404) 4.293 2.085 ( 0.632 4.007 1.404) 4.293 2.229 ( -0.370 -2.721 2.923) 4.010 2.229 ( -0.370 2.721 2.923) 4.010 2.305 ( -3.537 -1.954 -4.051) 5.722 2.305 ( -3.537 1.954 -4.051) 5.722 2.433 ( 3.561 -0.466 2.071) 4.146 2.433 ( 3.561 0.466 2.071) 4.146 2.457 ( -1.255 -2.248 -0.203) 2.583 2.457 ( -1.255 2.248 -0.203) 2.583 2.557 ( 0.225 -2.727 -1.102) 2.949 2.557 ( 0.225 2.727 -1.102) 2.949 2.651 ( 3.812 -3.770 3.120) 6.203 2.651 ( 3.812 3.770 3.120) 6.203 2.739 ( -0.595 -3.720 -0.245) 3.775 2.739 ( -0.595 3.720 -0.245) 3.775 2.810 ( -3.632 -0.583 -0.131) 3.681 2.810 ( -3.632 0.583 -0.131) 3.681 2.886 ( 0.950 -2.591 -2.905) 4.007 2.886 ( 0.950 2.591 -2.905) 4.007 3.045 ( 0.143 -2.703 2.205) 3.491 3.045 ( 0.143 2.703 2.205) 3.491 3.166 ( 0.398 -3.349 -2.643) 4.285 3.166 ( 0.398 3.349 -2.643) 4.285 3.333 ( -0.766 -5.832 2.194) 6.278 3.333 ( -0.766 5.832 2.194) 6.278 3.508 ( -0.574 -2.666 0.648) 2.803 3.508 ( -0.574 2.666 0.648) 2.803 3.644 ( 1.669 -0.297 0.033) 1.695 3.644 ( 1.669 0.297 0.033) 1.695 4.012 ( -0.140 -0.909 -2.714) 2.866 4.012 ( -0.140 0.909 -2.714) 2.866 4.270 ( 0.536 -0.544 0.922) 1.197 4.270 ( 0.536 0.544 0.922) 1.197 4.440 ( -1.375 -2.678 -1.892) 3.556 4.440 ( -1.375 2.678 -1.892) 3.556 4.563 ( -0.723 -0.624 -0.804) 1.249 4.563 ( -0.723 0.624 -0.804) 1.249 4.774 ( 1.221 -2.599 1.685) 3.330 4.774 ( 1.221 2.599 1.685) 3.330 5.270 ( 0.048 -2.368 -0.007) 2.368 5.270 ( 0.048 2.368 -0.007) 2.368 5.361 ( -0.231 -2.905 0.602) 2.976 5.361 ( -0.231 2.905 0.602) 2.976 5.654 ( 2.865 -1.212 -0.615) 3.171 5.654 ( 2.865 1.212 -0.615) 3.171 5.708 ( -2.408 -1.024 -2.017) 3.304 5.708 ( -2.408 1.024 -2.017) 3.304 6.138 ( 0.224 -2.173 1.740) 2.793 6.138 ( 0.224 2.173 1.740) 2.793 6.444 ( -3.388 -2.413 5.783) 7.124 6.444 ( -3.388 2.413 5.783) 7.124 6.880 ( 3.933 -2.319 -6.462) 7.913 6.880 ( 3.933 2.319 -6.462) 7.913 7.302 ( 4.671 -0.690 0.536) 4.752 7.302 ( 4.671 0.690 0.536) 4.752 7.486 ( -4.363 -2.633 0.603) 5.131 7.486 ( -4.363 2.633 0.603) 5.131 7.838 ( -1.860 -0.139 2.841) 3.399 7.838 ( -1.860 0.139 2.841) 3.399 8.758 ( -0.412 -3.907 -4.246) 5.785 8.758 ( -0.412 3.907 -4.246) 5.785 8.858 ( 0.843 -1.370 0.250) 1.628 8.858 ( 0.843 1.370 0.250) 1.628 9.578 ( 0.396 -1.926 0.155) 1.972 9.578 ( 0.396 1.926 0.155) 1.972 10.054 ( 0.218 -1.835 1.050) 2.126 10.054 ( 0.218 1.835 1.050) 2.126 11.394 ( -0.634 -0.671 1.159) 1.482 11.394 ( -0.634 0.671 1.159) 1.482 12.557 ( -0.602 -0.630 1.098) 1.402 12.557 ( -0.602 0.630 1.098) 1.402 12.769 ( 0.626 -1.671 -1.125) 2.110 12.769 ( 0.626 1.671 -1.125) 2.110 13.023 ( 0.110 -0.545 -0.275) 0.621 13.023 ( 0.110 0.545 -0.275) 0.621 13.460 ( 0.120 -2.179 -0.199) 2.191 13.460 ( 0.120 2.179 -0.199) 2.191 14.250 ( -0.060 -0.184 0.042) 0.198 14.250 ( -0.060 0.184 0.042) 0.198 14.818 ( 0.114 -4.544 -0.763) 4.609 14.818 ( 0.114 4.544 -0.763) 4.609 15.009 ( -0.191 -0.295 0.019) 0.352 15.009 ( -0.191 0.295 0.019) 0.352 15.541 ( 1.594 -0.445 1.178) 2.031 15.541 ( 1.594 0.445 1.178) 2.031 15.599 ( -1.692 -0.278 -0.972) 1.971 15.599 ( -1.692 0.278 -0.972) 1.971 15.998 ( 0.759 -1.113 -0.675) 1.507 15.998 ( 0.759 1.113 -0.675) 1.507 16.459 ( -0.024 -0.979 0.372) 1.047 16.459 ( -0.024 0.979 0.372) 1.047 16.724 ( -0.520 -6.357 0.532) 6.401 16.724 ( -0.520 6.357 0.532) 6.401 19.659 ( -0.939 -1.677 1.584) 2.491 19.659 ( -0.939 1.677 1.584) 2.491 19.736 ( 0.895 -3.608 -1.476) 4.000 19.736 ( 0.895 3.608 -1.476) 4.000 ======================= Grid point 89 (46/70) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.938 -1.570 -1.208) 2.192 0.880 ( 0.938 1.570 -1.208) 2.192 1.002 ( 2.917 -0.722 1.859) 3.533 1.002 ( 2.917 0.722 1.859) 3.533 1.214 ( -2.874 -6.420 -0.018) 7.034 1.214 ( -2.874 6.420 -0.018) 7.034 1.324 ( 1.704 -3.124 1.184) 3.751 1.324 ( 1.704 3.124 1.184) 3.751 1.425 ( -0.024 -3.149 1.108) 3.338 1.425 ( -0.024 3.149 1.108) 3.338 1.588 ( 1.899 -4.665 1.009) 5.137 1.588 ( 1.899 4.665 1.009) 5.137 1.625 ( -0.359 -1.406 -7.018) 7.166 1.625 ( -0.359 1.406 -7.018) 7.166 1.759 ( -2.020 -3.501 -0.624) 4.090 1.759 ( -2.020 3.501 -0.624) 4.090 1.891 ( 3.154 -3.652 -0.528) 4.855 1.891 ( 3.154 3.652 -0.528) 4.855 1.976 ( 0.804 -0.625 1.845) 2.108 1.976 ( 0.804 0.625 1.845) 2.108 2.033 ( -0.979 -2.633 2.385) 3.685 2.033 ( -0.979 2.633 2.385) 3.685 2.105 ( -0.228 -4.631 -0.353) 4.650 2.105 ( -0.228 4.631 -0.353) 4.650 2.175 ( -1.471 -2.238 2.518) 3.676 2.175 ( -1.471 2.238 2.518) 3.676 2.318 ( 2.453 -1.153 0.741) 2.810 2.318 ( 2.453 1.153 0.741) 2.810 2.386 ( -4.098 -1.237 -2.964) 5.206 2.386 ( -4.098 1.237 -2.964) 5.206 2.493 ( 2.079 -1.771 2.315) 3.580 2.493 ( 2.079 1.771 2.315) 3.580 2.576 ( 1.520 -1.532 -0.699) 2.269 2.576 ( 1.520 1.532 -0.699) 2.269 2.693 ( -0.089 -4.114 -0.692) 4.173 2.693 ( -0.089 4.114 -0.692) 4.173 2.755 ( 0.848 -3.199 -2.564) 4.186 2.755 ( 0.848 3.199 -2.564) 4.186 2.798 ( 1.102 -2.725 1.079) 3.131 2.798 ( 1.102 2.725 1.079) 3.131 2.868 ( 0.718 -0.797 -0.031) 1.073 2.868 ( 0.718 0.797 -0.031) 1.073 3.035 ( -1.960 -5.982 1.929) 6.585 3.035 ( -1.960 5.982 1.929) 6.585 3.163 ( -0.351 -4.556 -1.148) 4.712 3.163 ( -0.351 4.556 -1.148) 4.712 3.339 ( -1.401 -8.888 2.558) 9.354 3.339 ( -1.401 8.888 2.558) 9.354 3.475 ( 1.751 -5.309 -1.871) 5.895 3.475 ( 1.751 5.309 -1.871) 5.895 3.780 ( 8.593 -1.045 0.984) 8.713 3.780 ( 8.593 1.045 0.984) 8.713 3.989 ( 0.689 -1.258 -1.890) 2.373 3.989 ( 0.689 1.258 -1.890) 2.373 4.272 ( -1.006 -1.586 -0.477) 1.938 4.272 ( -1.006 1.586 -0.477) 1.938 4.420 ( 0.647 -1.331 0.684) 1.630 4.420 ( 0.647 1.331 0.684) 1.630 4.541 ( -1.178 -1.860 0.214) 2.212 4.541 ( -1.178 1.860 0.214) 2.212 4.776 ( -2.294 -1.816 -0.912) 3.065 4.776 ( -2.294 1.816 -0.912) 3.065 5.231 ( -3.070 -4.056 0.279) 5.094 5.231 ( -3.070 4.056 0.279) 5.094 5.377 ( 0.334 -0.709 0.307) 0.842 5.377 ( 0.334 0.709 0.307) 0.842 5.580 ( -3.012 -1.505 -0.339) 3.384 5.580 ( -3.012 1.505 -0.339) 3.384 5.814 ( 7.633 -2.010 -1.822) 8.101 5.814 ( 7.633 2.010 -1.822) 8.101 6.177 ( 3.418 -2.680 2.002) 4.782 6.177 ( 3.418 2.680 2.002) 4.782 6.361 ( -10.735 -4.783 3.894) 12.380 6.361 ( -10.735 4.783 3.894) 12.380 6.824 ( -2.093 -5.042 -4.618) 7.150 6.824 ( -2.093 5.042 -4.618) 7.150 7.337 ( -2.425 -2.583 -3.543) 5.011 7.337 ( -2.425 2.583 -3.543) 5.011 7.475 ( 0.337 -1.650 2.915) 3.366 7.475 ( 0.337 1.650 2.915) 3.366 7.832 ( -0.350 -1.582 3.583) 3.932 7.832 ( -0.350 1.582 3.583) 3.932 8.738 ( -0.150 -2.616 -2.433) 3.576 8.738 ( -0.150 2.616 -2.433) 3.576 8.900 ( 6.348 -1.122 -0.616) 6.476 8.900 ( 6.348 1.122 -0.616) 6.476 9.619 ( 3.679 -2.324 -0.325) 4.363 9.619 ( 3.679 2.324 -0.325) 4.363 10.013 ( -5.903 -0.971 0.944) 6.056 10.013 ( -5.903 0.971 0.944) 6.056 11.372 ( -2.783 -1.329 0.943) 3.225 11.372 ( -2.783 1.329 0.942) 3.225 12.569 ( 0.700 -1.039 0.999) 1.602 12.569 ( 0.700 1.039 0.999) 1.602 12.757 ( -0.751 -1.319 -0.983) 1.808 12.757 ( -0.751 1.319 -0.983) 1.808 13.020 ( -0.039 -0.347 -0.272) 0.443 13.020 ( -0.039 0.347 -0.272) 0.443 13.462 ( 0.310 -2.768 -0.178) 2.791 13.462 ( 0.310 2.768 -0.178) 2.791 14.262 ( 1.289 -0.187 0.048) 1.303 14.262 ( 1.289 0.187 0.048) 1.303 14.798 ( -1.567 -3.094 -0.409) 3.493 14.798 ( -1.567 3.094 -0.409) 3.493 15.046 ( 3.919 -0.397 0.118) 3.941 15.046 ( 3.919 0.397 0.118) 3.941 15.525 ( -2.545 -0.484 -0.498) 2.638 15.525 ( -2.545 0.484 -0.498) 2.638 15.618 ( 2.806 -0.828 0.699) 3.008 15.618 ( 2.806 0.828 0.699) 3.008 16.022 ( 2.748 -1.536 -1.105) 3.336 16.022 ( 2.748 1.536 -1.105) 3.336 16.464 ( -0.012 -3.096 0.269) 3.108 16.464 ( -0.012 3.096 0.269) 3.108 16.696 ( -3.007 -3.080 0.733) 4.367 16.696 ( -3.007 3.080 0.733) 4.367 19.655 ( -1.239 -1.961 1.451) 2.736 19.655 ( -1.239 1.961 1.451) 2.736 19.740 ( 1.050 -3.457 -1.352) 3.858 19.740 ( 1.050 3.457 -1.352) 3.858 ======================= Grid point 91 (47/70) ======================= q-point: ( 0.33 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 1.260 -1.384 -3.171) 3.682 0.875 ( 1.260 1.384 -3.171) 3.682 1.081 ( 1.629 -1.105 4.486) 4.898 1.081 ( 1.629 1.105 4.486) 4.898 1.184 ( -1.569 -6.071 1.372) 6.418 1.184 ( -1.569 6.071 1.372) 6.418 1.370 ( 1.432 -2.563 0.839) 3.054 1.370 ( 1.432 2.563 0.839) 3.054 1.468 ( 3.572 -2.243 1.244) 4.398 1.468 ( 3.572 2.243 1.244) 4.398 1.543 ( 1.136 -0.672 -5.857) 6.003 1.543 ( 1.136 0.672 -5.857) 6.003 1.626 ( 1.633 -4.544 -1.852) 5.171 1.626 ( 1.633 4.544 -1.852) 5.171 1.714 ( -3.063 -1.854 0.511) 3.617 1.714 ( -3.063 1.854 0.511) 3.617 1.915 ( 0.874 -2.612 -1.462) 3.118 1.915 ( 0.874 2.612 -1.462) 3.118 1.984 ( -2.677 -2.599 -4.075) 5.525 1.984 ( -2.677 2.599 -4.075) 5.525 2.016 ( 0.827 -3.635 4.324) 5.709 2.016 ( 0.827 3.635 4.324) 5.709 2.098 ( -2.107 -1.688 0.697) 2.788 2.098 ( -2.107 1.688 0.697) 2.788 2.193 ( -0.533 -2.873 -0.190) 2.928 2.193 ( -0.533 2.873 -0.190) 2.928 2.311 ( -0.475 -1.707 1.401) 2.259 2.311 ( -0.475 1.707 1.401) 2.259 2.412 ( 3.719 -0.971 3.210) 5.008 2.412 ( 3.719 0.971 3.210) 5.008 2.536 ( -1.735 -2.581 -1.229) 3.344 2.536 ( -1.735 2.581 -1.229) 3.344 2.585 ( 3.573 -0.732 0.200) 3.653 2.585 ( 3.573 0.732 0.200) 3.653 2.686 ( 0.292 -5.000 -3.833) 6.307 2.686 ( 0.292 5.000 -3.833) 6.307 2.719 ( 0.300 -3.391 0.576) 3.453 2.719 ( 0.300 3.391 0.576) 3.453 2.806 ( 0.019 -1.587 0.959) 1.855 2.806 ( 0.019 1.587 0.959) 1.855 2.911 ( 0.298 -4.026 1.663) 4.366 2.911 ( 0.298 4.026 1.663) 4.366 3.040 ( 0.705 -4.423 1.378) 4.686 3.040 ( 0.705 4.423 1.378) 4.686 3.122 ( -3.509 -4.275 1.123) 5.644 3.122 ( -3.509 4.275 1.123) 5.644 3.344 ( 0.155 -8.681 0.858) 8.725 3.344 ( 0.155 8.681 0.858) 8.725 3.525 ( 5.366 -5.281 -3.542) 8.321 3.525 ( 5.366 5.281 -3.542) 8.321 3.872 ( 0.591 -1.278 1.256) 1.887 3.872 ( 0.591 1.278 1.256) 1.887 4.024 ( 4.223 -2.142 -0.099) 4.736 4.024 ( 4.223 2.142 -0.099) 4.736 4.251 ( 0.212 -1.622 -0.373) 1.677 4.251 ( 0.212 1.622 -0.373) 1.677 4.457 ( 0.568 -2.356 2.298) 3.340 4.457 ( 0.568 2.356 2.298) 3.340 4.543 ( 1.457 -1.185 0.838) 2.056 4.543 ( 1.457 1.185 0.838) 2.056 4.667 ( -7.355 -1.291 -3.616) 8.296 4.667 ( -7.355 1.291 -3.616) 8.296 5.202 ( -0.793 -4.120 0.681) 4.250 5.202 ( -0.793 4.120 0.681) 4.250 5.377 ( 0.012 -0.328 -0.216) 0.392 5.377 ( 0.012 0.328 -0.216) 0.392 5.562 ( 0.672 -1.180 -0.181) 1.370 5.562 ( 0.672 1.180 -0.181) 1.370 5.840 ( -1.556 -1.527 -2.631) 3.417 5.840 ( -1.556 1.527 -2.631) 3.417 6.196 ( -9.544 -6.791 3.632) 12.264 6.196 ( -9.544 6.791 3.632) 12.264 6.349 ( 12.100 -1.630 1.173) 12.266 6.349 ( 12.100 1.630 1.173) 12.266 6.770 ( 0.750 -3.257 -3.571) 4.891 6.770 ( 0.750 3.257 -3.571) 4.891 7.165 ( -12.181 -3.588 -1.666) 12.807 7.165 ( -12.181 3.588 -1.666) 12.807 7.494 ( 0.352 -1.918 -0.126) 1.954 7.494 ( 0.352 1.918 -0.126) 1.954 7.904 ( 1.279 -1.929 5.717) 6.168 7.904 ( 1.279 1.929 5.717) 6.168 8.693 ( -0.689 -1.405 -3.152) 3.520 8.693 ( -0.689 1.405 -3.152) 3.520 9.060 ( 10.529 -2.926 -0.169) 10.929 9.060 ( 10.529 2.926 -0.169) 10.929 9.666 ( 1.335 -3.893 -0.154) 4.119 9.666 ( 1.335 3.893 -0.154) 4.119 9.897 ( -7.129 -1.205 0.380) 7.240 9.897 ( -7.129 1.205 0.380) 7.240 11.331 ( -2.481 -1.375 0.525) 2.885 11.331 ( -2.481 1.375 0.525) 2.885 12.597 ( 1.333 -1.098 0.847) 1.923 12.597 ( 1.333 1.098 0.847) 1.923 12.729 ( -1.327 -1.012 -0.754) 1.831 12.729 ( -1.327 1.012 -0.754) 1.831 13.017 ( 0.026 -0.217 -0.227) 0.315 13.017 ( 0.026 0.217 -0.227) 0.315 13.466 ( 0.245 -2.818 -0.158) 2.833 13.466 ( 0.245 2.818 -0.158) 2.833 14.288 ( 1.301 -0.459 0.181) 1.392 14.288 ( 1.301 0.459 0.181) 1.392 14.767 ( -1.528 -1.985 -0.025) 2.505 14.767 ( -1.528 1.985 -0.025) 2.505 15.119 ( 3.461 -0.430 0.460) 3.517 15.119 ( 3.461 0.430 0.460) 3.517 15.482 ( -1.147 -0.717 -1.404) 1.950 15.482 ( -1.147 0.717 -1.404) 1.950 15.669 ( 1.707 -1.332 1.269) 2.510 15.669 ( 1.707 1.332 1.269) 2.510 16.062 ( 3.256 -1.877 -1.701) 4.126 16.062 ( 3.256 1.877 -1.701) 4.126 16.456 ( -1.424 -4.456 0.763) 4.740 16.456 ( -1.424 4.456 0.763) 4.740 16.654 ( -2.227 -3.555 0.535) 4.229 16.654 ( -2.227 3.555 0.535) 4.229 19.648 ( -1.068 -1.794 1.316) 2.468 19.648 ( -1.068 1.794 1.316) 2.468 19.744 ( 0.878 -3.338 -1.254) 3.672 19.744 ( 0.878 3.338 -1.254) 3.672 ======================= Grid point 93 (48/70) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 1.995 -1.811 -3.120) 4.123 0.872 ( 1.995 1.811 -3.120) 4.123 1.124 ( -1.726 -1.461 4.644) 5.165 1.124 ( -1.726 1.461 4.644) 5.165 1.177 ( -1.445 -4.694 1.941) 5.281 1.177 ( -1.445 4.694 1.941) 5.281 1.372 ( -0.812 -2.585 -0.215) 2.718 1.372 ( -0.812 2.585 -0.215) 2.718 1.503 ( -0.294 -1.281 -3.396) 3.641 1.503 ( -0.294 1.281 -3.396) 3.641 1.559 ( 2.533 -2.704 0.278) 3.715 1.559 ( 2.533 2.704 0.278) 3.715 1.664 ( 3.420 -5.384 0.673) 6.414 1.664 ( 3.420 5.384 0.673) 6.414 1.691 ( 1.122 -1.337 1.628) 2.386 1.691 ( 1.122 1.337 1.628) 2.386 1.853 ( -2.743 -3.223 -5.959) 7.309 1.853 ( -2.743 3.223 -5.959) 7.309 1.899 ( -2.182 -1.916 -5.026) 5.805 1.899 ( -2.182 1.916 -5.026) 5.805 2.053 ( 0.390 -1.192 1.049) 1.635 2.053 ( 0.390 1.192 1.049) 1.635 2.107 ( 1.563 -1.302 3.009) 3.632 2.107 ( 1.563 1.302 3.009) 3.632 2.185 ( -0.343 -0.842 0.158) 0.923 2.185 ( -0.343 0.842 0.158) 0.923 2.348 ( 0.566 -1.305 2.149) 2.578 2.348 ( 0.566 1.305 2.149) 2.578 2.403 ( -2.986 -3.139 -2.346) 4.927 2.403 ( -2.986 3.139 -2.346) 4.927 2.495 ( -1.290 -2.350 1.137) 2.912 2.495 ( -1.290 2.350 1.137) 2.912 2.649 ( 0.700 -2.266 1.159) 2.640 2.649 ( 0.700 2.266 1.159) 2.640 2.692 ( 0.838 -3.339 -0.176) 3.447 2.692 ( 0.838 3.339 -0.176) 3.447 2.755 ( 3.100 -1.958 1.005) 3.802 2.755 ( 3.100 1.958 1.005) 3.802 2.830 ( 1.303 -2.108 1.893) 3.118 2.830 ( 1.303 2.108 1.893) 3.118 2.893 ( -2.359 -3.693 -0.599) 4.423 2.893 ( -2.358 3.693 -0.599) 4.423 3.052 ( -2.885 -1.265 2.051) 3.759 3.052 ( -2.885 1.265 2.051) 3.759 3.103 ( 1.245 -0.587 1.464) 2.009 3.103 ( 1.245 0.587 1.464) 2.009 3.351 ( -0.823 -5.785 0.889) 5.911 3.351 ( -0.823 5.785 0.889) 5.911 3.546 ( 1.381 -3.192 -4.899) 6.008 3.546 ( 1.381 3.192 -4.899) 6.008 3.870 ( -1.168 -0.364 1.001) 1.581 3.870 ( -1.168 0.364 1.001) 1.581 4.080 ( 0.803 -1.719 1.091) 2.189 4.080 ( 0.803 1.719 1.091) 2.189 4.285 ( 1.901 -2.142 1.915) 3.445 4.285 ( 1.901 2.142 1.915) 3.445 4.454 ( -4.244 -1.416 1.195) 4.631 4.454 ( -4.244 1.416 1.195) 4.631 4.514 ( -1.697 -1.385 -3.562) 4.181 4.514 ( -1.697 1.385 -3.562) 4.181 4.607 ( 4.801 -1.324 -0.815) 5.047 4.607 ( 4.801 1.324 -0.815) 5.047 5.207 ( -0.100 -3.697 1.327) 3.929 5.207 ( -0.100 3.697 1.327) 3.929 5.370 ( -0.432 -0.698 -0.731) 1.099 5.370 ( -0.432 0.698 -0.731) 1.099 5.583 ( 0.926 -2.451 -0.821) 2.746 5.583 ( 0.926 2.451 -0.821) 2.746 5.786 ( 0.915 -3.710 -2.434) 4.531 5.786 ( 0.915 3.710 -2.434) 4.531 6.122 ( -1.661 -4.813 2.153) 5.528 6.122 ( -1.661 4.813 2.153) 5.528 6.489 ( -3.687 -0.346 2.634) 4.544 6.489 ( -3.687 0.346 2.634) 4.544 6.769 ( 2.972 -0.160 -4.120) 5.083 6.769 ( 2.972 0.160 -4.120) 5.083 7.031 ( 2.758 -2.629 -0.387) 3.830 7.031 ( 2.758 2.629 -0.387) 3.830 7.489 ( -0.034 -2.563 -0.977) 2.743 7.489 ( -0.034 2.563 -0.977) 2.743 7.936 ( -4.833 -1.136 6.656) 8.304 7.936 ( -4.833 1.136 6.656) 8.304 8.684 ( 4.146 -0.746 -4.145) 5.910 8.684 ( 4.146 0.746 -4.145) 5.910 9.165 ( -0.478 -1.390 -0.226) 1.487 9.165 ( -0.478 1.390 -0.226) 1.487 9.680 ( 1.382 -4.719 1.599) 5.170 9.680 ( 1.382 4.719 1.599) 5.170 9.812 ( -2.218 -3.496 -1.095) 4.283 9.812 ( -2.218 3.496 -1.095) 4.283 11.310 ( -0.200 -0.560 0.326) 0.679 11.310 ( -0.200 0.560 0.326) 0.679 12.616 ( -0.574 -0.464 0.825) 1.107 12.616 ( -0.574 0.464 0.825) 1.107 12.710 ( 0.488 -0.964 -0.698) 1.287 12.710 ( 0.488 0.964 -0.698) 1.287 13.017 ( 0.177 -0.270 -0.187) 0.373 13.017 ( 0.177 0.270 -0.187) 0.373 13.467 ( 0.072 -2.247 -0.158) 2.253 13.467 ( 0.072 2.247 -0.158) 2.253 14.302 ( -0.029 -0.387 0.305) 0.493 14.302 ( -0.029 0.387 0.305) 0.493 14.753 ( 0.087 -2.085 0.047) 2.088 14.753 ( 0.087 2.085 0.047) 2.088 15.155 ( -0.198 -0.535 0.736) 0.931 15.155 ( -0.198 0.535 0.736) 0.931 15.461 ( 0.463 -0.903 -1.727) 2.003 15.461 ( 0.463 0.903 -1.727) 2.003 15.692 ( -0.506 -1.007 1.179) 1.631 15.692 ( -0.506 1.007 1.179) 1.631 16.086 ( 1.113 -1.735 -1.885) 2.794 16.086 ( 1.113 1.735 -1.885) 2.794 16.445 ( -0.594 -1.322 1.487) 2.076 16.445 ( -0.594 1.322 1.487) 2.076 16.635 ( -0.289 -0.345 0.032) 0.451 16.635 ( -0.289 0.345 0.032) 0.451 19.646 ( -0.704 -1.294 1.295) 1.961 19.646 ( -0.704 1.294 1.295) 1.961 19.745 ( 0.650 -3.246 -1.260) 3.543 19.745 ( 0.650 3.246 -1.260) 3.543 ======================= Grid point 95 (49/70) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 1.306 -3.292 -2.843) 4.541 0.872 ( 1.306 3.292 -2.843) 4.541 1.115 ( -5.518 -3.699 5.188) 8.429 1.115 ( -5.518 3.699 5.188) 8.429 1.173 ( -0.105 -5.544 0.600) 5.577 1.173 ( -0.105 5.544 0.600) 5.577 1.358 ( -0.607 -0.627 0.394) 0.957 1.358 ( -0.607 0.627 0.394) 0.957 1.436 ( -3.776 -4.937 -0.655) 6.250 1.436 ( -3.776 4.937 -0.655) 6.250 1.567 ( 1.633 -2.211 -3.126) 4.163 1.567 ( 1.633 2.211 -3.126) 4.163 1.690 ( -1.841 -4.047 -4.540) 6.354 1.690 ( -1.841 4.047 -4.540) 6.354 1.748 ( 2.244 -4.845 3.127) 6.188 1.748 ( 2.244 4.845 3.127) 6.188 1.835 ( 2.722 -0.821 -3.574) 4.567 1.835 ( 2.722 0.821 -3.574) 4.567 1.859 ( 5.071 -3.289 1.604) 6.253 1.859 ( 5.071 3.289 1.604) 6.253 2.053 ( -0.743 -3.350 0.965) 3.564 2.053 ( -0.743 3.350 0.965) 3.564 2.127 ( -2.982 -1.706 -1.297) 3.672 2.127 ( -2.982 1.706 -1.297) 3.672 2.178 ( -0.131 -1.759 1.850) 2.556 2.178 ( -0.131 1.759 1.850) 2.556 2.340 ( -0.253 -2.017 1.043) 2.285 2.340 ( -0.253 2.017 1.043) 2.285 2.396 ( 1.776 -2.187 -0.879) 2.951 2.396 ( 1.776 2.187 -0.879) 2.951 2.506 ( -1.473 -1.398 4.078) 4.556 2.506 ( -1.473 1.398 4.078) 4.556 2.623 ( -2.435 -2.173 -1.863) 3.758 2.623 ( -2.435 2.173 -1.863) 3.758 2.664 ( -2.421 -7.151 -0.787) 7.591 2.664 ( -2.421 7.151 -0.787) 7.591 2.788 ( -2.026 -2.462 -3.532) 4.758 2.788 ( -2.026 2.462 -3.532) 4.758 2.845 ( 1.835 -1.248 2.037) 3.012 2.845 ( 1.835 1.248 2.037) 3.012 2.902 ( 2.062 -2.767 2.072) 4.025 2.902 ( 2.062 2.767 2.072) 4.025 3.004 ( -4.390 -1.439 1.127) 4.755 3.004 ( -4.390 1.439 1.127) 4.755 3.164 ( 3.612 -2.836 1.149) 4.734 3.164 ( 3.612 2.836 1.149) 4.734 3.326 ( -3.304 -3.095 1.805) 4.873 3.326 ( -3.304 3.095 1.805) 4.873 3.492 ( -1.313 -3.837 -4.180) 5.824 3.492 ( -1.313 3.837 -4.180) 5.824 3.848 ( -3.356 -1.002 0.792) 3.591 3.848 ( -3.356 1.002 0.792) 3.591 4.065 ( -2.472 -1.245 0.138) 2.772 4.065 ( -2.472 1.245 0.138) 2.772 4.280 ( -2.257 -1.831 -0.300) 2.922 4.280 ( -2.257 1.831 -0.300) 2.922 4.449 ( 1.462 -1.758 2.812) 3.624 4.449 ( 1.462 1.758 2.812) 3.624 4.517 ( 2.041 -2.973 -0.040) 3.606 4.517 ( 2.041 2.973 -0.040) 3.606 4.682 ( 5.824 -3.147 -3.304) 7.399 4.682 ( 5.824 3.147 -3.304) 7.399 5.216 ( -0.260 -1.831 1.097) 2.150 5.216 ( -0.260 1.831 1.097) 2.150 5.357 ( 0.362 -2.456 -0.639) 2.563 5.357 ( 0.362 2.456 -0.639) 2.563 5.567 ( -0.848 -2.703 -0.112) 2.835 5.567 ( -0.848 2.703 -0.112) 2.835 5.839 ( 5.748 -4.614 -2.770) 7.875 5.839 ( 5.748 4.614 -2.770) 7.875 6.178 ( 3.089 -3.143 4.108) 6.025 6.178 ( 3.089 3.143 4.108) 6.025 6.323 ( -11.188 -1.377 0.452) 11.282 6.323 ( -11.188 1.377 0.452) 11.282 6.777 ( 2.516 -3.061 -2.905) 4.913 6.777 ( 2.516 3.061 -2.905) 4.913 7.188 ( 10.437 -1.473 -2.224) 10.772 7.188 ( 10.437 1.473 -2.224) 10.772 7.496 ( 2.484 -1.754 0.068) 3.042 7.496 ( 2.484 1.754 0.068) 3.042 7.882 ( -7.683 -0.376 5.590) 9.508 7.882 ( -7.683 0.376 5.590) 9.508 8.743 ( 6.104 -1.031 -2.993) 6.876 8.743 ( 6.104 1.031 -2.993) 6.876 9.048 ( -10.483 -4.643 -0.137) 11.466 9.048 ( -10.483 4.643 -0.137) 11.466 9.691 ( -3.399 -4.512 -0.316) 5.658 9.691 ( -3.399 4.512 -0.316) 5.658 9.849 ( 7.452 -3.628 0.577) 8.309 9.849 ( 7.452 3.628 0.577) 8.309 11.330 ( 1.857 -0.670 0.520) 2.041 11.330 ( 1.857 0.670 0.520) 2.041 12.595 ( -2.277 -0.191 0.819) 2.427 12.595 ( -2.277 0.191 0.819) 2.427 12.730 ( 2.153 -1.397 -0.725) 2.667 12.730 ( 2.153 1.397 -0.725) 2.667 13.019 ( 0.282 -0.464 -0.228) 0.589 13.019 ( 0.282 0.464 -0.228) 0.589 13.465 ( -0.071 -1.982 -0.156) 1.989 13.465 ( -0.071 1.982 -0.156) 1.989 14.291 ( -1.469 -0.211 0.180) 1.495 14.291 ( -1.469 0.211 0.180) 1.495 14.771 ( 1.863 -3.221 -0.026) 3.721 14.771 ( 1.863 3.221 -0.026) 3.721 15.124 ( -3.850 -1.028 0.495) 4.016 15.124 ( -3.850 1.028 0.495) 4.016 15.465 ( 1.827 -0.657 -1.328) 2.353 15.465 ( 1.827 0.657 -1.328) 2.353 15.679 ( -2.192 -0.357 1.191) 2.520 15.679 ( -2.192 0.357 1.191) 2.520 16.059 ( -1.717 -1.195 -1.758) 2.732 16.059 ( -1.717 1.195 -1.758) 2.732 16.460 ( 0.290 -2.511 0.803) 2.652 16.460 ( 0.290 2.511 0.803) 2.652 16.650 ( 1.936 -5.275 0.518) 5.643 16.650 ( 1.936 5.275 0.518) 5.643 19.649 ( -0.426 -0.844 1.359) 1.656 19.649 ( -0.426 0.844 1.359) 1.656 19.742 ( 0.527 -3.393 -1.297) 3.671 19.742 ( 0.527 3.393 -1.297) 3.671 ======================= Grid point 97 (50/70) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 0.495 -5.360 -1.256) 5.527 0.866 ( 0.495 5.360 -1.256) 5.527 1.036 ( -6.418 -5.181 1.795) 8.441 1.036 ( -6.418 5.181 1.795) 8.442 1.197 ( 2.116 -5.853 1.300) 6.358 1.197 ( 2.116 5.853 1.300) 6.358 1.350 ( -0.709 -1.497 -1.168) 2.027 1.350 ( -0.709 1.497 -1.168) 2.027 1.399 ( -1.408 -4.927 2.250) 5.597 1.399 ( -1.408 4.927 2.250) 5.597 1.562 ( -0.029 -1.878 -1.776) 2.585 1.562 ( -0.029 1.878 -1.776) 2.585 1.643 ( 3.153 -2.650 -3.962) 5.715 1.643 ( 3.153 2.650 -3.962) 5.715 1.796 ( 1.404 -2.290 -0.996) 2.865 1.796 ( 1.404 2.290 -0.996) 2.865 1.822 ( -1.202 -1.039 -0.244) 1.608 1.822 ( -1.202 1.039 -0.244) 1.608 1.971 ( 3.970 -5.254 1.143) 6.684 1.971 ( 3.970 5.254 1.143) 6.684 2.036 ( -3.698 -2.616 0.894) 4.617 2.036 ( -3.698 2.616 0.894) 4.617 2.131 ( 2.485 -1.899 5.404) 6.244 2.131 ( 2.485 1.899 5.404) 6.244 2.166 ( -1.901 -2.902 -1.247) 3.686 2.166 ( -1.901 2.902 -1.247) 3.686 2.342 ( 0.732 -1.568 0.350) 1.766 2.342 ( 0.732 1.568 0.350) 1.766 2.408 ( -0.719 -1.047 -1.363) 1.863 2.408 ( -0.719 1.047 -1.363) 1.863 2.488 ( -2.946 -0.657 1.886) 3.560 2.488 ( -2.946 0.657 1.886) 3.560 2.574 ( 0.174 -4.900 -3.142) 5.824 2.574 ( 0.174 4.900 -3.142) 5.824 2.625 ( -2.080 -2.486 -0.253) 3.251 2.625 ( -2.080 2.486 -0.253) 3.251 2.730 ( -0.380 -1.225 0.347) 1.329 2.730 ( -0.380 1.225 0.347) 1.329 2.875 ( -0.065 -0.917 -0.744) 1.183 2.875 ( -0.065 0.917 -0.744) 1.183 2.920 ( -5.155 -1.965 0.254) 5.523 2.920 ( -5.155 1.965 0.254) 5.523 2.978 ( 4.214 -3.038 1.405) 5.382 2.978 ( 4.214 3.038 1.405) 5.382 3.203 ( 0.074 -1.971 -2.364) 3.079 3.203 ( 0.074 1.971 -2.364) 3.079 3.313 ( -0.759 -7.522 4.230) 8.664 3.313 ( -0.759 7.522 4.230) 8.664 3.460 ( 2.028 -4.759 -1.845) 5.492 3.460 ( 2.028 4.759 -1.845) 5.492 3.747 ( -8.672 -1.251 0.538) 8.778 3.747 ( -8.672 1.251 0.538) 8.778 4.035 ( -0.223 -0.352 -1.534) 1.590 4.035 ( -0.223 0.352 -1.534) 1.590 4.258 ( -0.043 -0.475 -0.049) 0.480 4.258 ( -0.043 0.475 -0.049) 0.480 4.471 ( -0.610 -2.899 -0.067) 2.963 4.471 ( -0.610 2.899 -0.067) 2.963 4.561 ( 1.624 -1.125 0.513) 2.041 4.561 ( 1.624 1.125 0.513) 2.041 4.732 ( 2.790 -5.804 -0.876) 6.500 4.732 ( 2.790 5.804 -0.876) 6.500 5.236 ( 2.080 -1.008 0.328) 2.335 5.236 ( 2.080 1.008 0.328) 2.335 5.368 ( 0.191 -4.440 0.213) 4.450 5.368 ( 0.192 4.440 0.213) 4.450 5.577 ( 2.815 -2.944 -0.377) 4.091 5.577 ( 2.815 2.944 -0.377) 4.091 5.838 ( -4.475 -2.038 -2.230) 5.399 5.838 ( -4.475 2.038 -2.230) 5.399 6.140 ( -4.636 -2.810 2.879) 6.138 6.140 ( -4.636 2.810 2.879) 6.138 6.362 ( 6.455 -1.563 3.411) 7.467 6.362 ( 6.455 1.563 3.411) 7.467 6.820 ( 7.038 -2.805 -4.668) 8.899 6.820 ( 7.038 2.805 -4.668) 8.899 7.259 ( 1.751 -1.883 -1.225) 2.848 7.259 ( 1.751 1.883 -1.225) 2.848 7.546 ( -0.420 -2.015 0.390) 2.094 7.546 ( -0.420 2.015 0.390) 2.094 7.828 ( -2.604 -1.199 3.822) 4.778 7.828 ( -2.604 1.199 3.822) 4.778 8.810 ( 3.680 -1.644 -2.574) 4.782 8.810 ( 3.680 1.644 -2.574) 4.782 8.875 ( -7.515 -3.874 -0.478) 8.469 8.875 ( -7.515 3.874 -0.478) 8.469 9.613 ( -3.980 -3.011 -0.314) 5.001 9.613 ( -3.980 3.011 -0.314) 5.001 9.986 ( 6.173 -3.030 1.035) 6.954 9.986 ( 6.173 3.030 1.035) 6.954 11.372 ( 1.725 -0.824 0.934) 2.128 11.372 ( 1.725 0.824 0.934) 2.128 12.568 ( -1.767 -0.224 0.982) 2.033 12.568 ( -1.767 0.224 0.982) 2.033 12.757 ( 1.812 -1.728 -0.962) 2.683 12.757 ( 1.812 1.728 -0.962) 2.683 13.022 ( 0.280 -0.608 -0.273) 0.723 13.022 ( 0.280 0.608 -0.273) 0.723 13.462 ( -0.090 -1.948 -0.177) 1.958 13.462 ( -0.090 1.948 -0.177) 1.958 14.264 ( -1.491 -0.306 0.048) 1.523 14.264 ( -1.491 0.306 0.048) 1.523 14.805 ( 1.937 -4.482 -0.414) 4.900 14.805 ( 1.937 4.482 -0.414) 4.900 15.051 ( -4.256 -0.907 0.126) 4.353 15.051 ( -4.256 0.907 0.126) 4.353 15.496 ( 2.596 -0.374 -0.314) 2.642 15.496 ( 2.596 0.374 -0.314) 2.642 15.644 ( -2.799 -0.331 0.532) 2.869 15.644 ( -2.799 0.331 0.532) 2.869 16.014 ( -1.442 -0.976 -1.133) 2.078 16.014 ( -1.442 0.976 -1.133) 2.078 16.461 ( -0.515 -2.486 0.290) 2.555 16.461 ( -0.515 2.486 0.290) 2.555 16.700 ( 2.358 -7.962 0.718) 8.335 16.700 ( 2.358 7.962 0.718) 8.335 19.656 ( -0.481 -1.121 1.499) 1.933 19.656 ( -0.481 1.121 1.499) 1.933 19.738 ( 0.593 -3.635 -1.399) 3.940 19.738 ( 0.593 3.635 -1.399) 3.940 ======================= Grid point 117 (51/70) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 0.302 0.000 -0.347) 0.460 0.563 ( -0.302 0.000 0.347) 0.460 0.688 ( -4.313 0.000 0.107) 4.314 0.688 ( 4.313 0.000 -0.107) 4.314 1.085 ( 1.804 0.000 -16.302) 16.402 1.085 ( -1.804 0.000 16.302) 16.402 1.275 ( -0.038 0.000 -1.183) 1.183 1.275 ( 0.038 0.000 1.183) 1.183 1.388 ( 3.795 0.000 -7.130) 8.077 1.388 ( -3.795 0.000 7.130) 8.077 1.436 ( 1.344 0.000 -2.193) 2.572 1.436 ( -1.344 0.000 2.193) 2.572 1.560 ( 1.684 0.000 -2.650) 3.140 1.560 ( -1.684 0.000 2.650) 3.140 1.619 ( -2.469 0.000 0.652) 2.554 1.619 ( 2.469 0.000 -0.652) 2.554 1.692 ( 0.211 0.000 -0.326) 0.388 1.692 ( -0.211 0.000 0.326) 0.388 1.946 ( -3.233 0.000 -3.990) 5.135 1.946 ( 3.233 0.000 3.990) 5.135 2.140 ( 1.918 0.000 -1.222) 2.274 2.140 ( -1.918 0.000 1.222) 2.274 2.207 ( 6.314 0.000 -2.405) 6.757 2.207 ( -6.314 0.000 2.405) 6.757 2.252 ( -5.603 0.000 -1.030) 5.697 2.252 ( 5.603 0.000 1.030) 5.697 2.350 ( -0.933 0.000 -3.652) 3.769 2.350 ( 0.933 0.000 3.652) 3.769 2.403 ( -2.465 0.000 -0.800) 2.591 2.403 ( 2.465 0.000 0.800) 2.591 2.456 ( 1.161 0.000 -2.566) 2.816 2.456 ( -1.161 0.000 2.566) 2.816 2.511 ( -8.597 0.000 -1.266) 8.690 2.511 ( 8.597 0.000 1.266) 8.690 2.708 ( 2.137 0.000 -0.766) 2.270 2.708 ( -2.137 0.000 0.766) 2.270 2.712 ( -1.802 0.000 -4.111) 4.488 2.712 ( 1.802 0.000 4.111) 4.488 2.763 ( -3.250 0.000 -3.271) 4.611 2.763 ( 3.250 0.000 3.271) 4.611 2.884 ( 1.389 0.000 -2.879) 3.197 2.884 ( -1.389 0.000 2.879) 3.197 2.913 ( 0.985 0.000 -1.181) 1.538 2.913 ( -0.985 0.000 1.181) 1.538 3.217 ( -4.266 0.000 -0.208) 4.271 3.217 ( 4.266 0.000 0.208) 4.271 3.342 ( 0.073 0.000 -2.348) 2.349 3.342 ( -0.073 0.000 2.348) 2.349 3.586 ( 3.400 0.000 -4.631) 5.745 3.586 ( -3.400 0.000 4.631) 5.745 3.790 ( -0.612 0.000 -5.284) 5.319 3.790 ( 0.612 0.000 5.284) 5.319 4.100 ( -0.058 0.000 -2.308) 2.308 4.100 ( 0.058 0.000 2.308) 2.308 4.195 ( 2.541 0.000 -2.141) 3.323 4.195 ( -2.541 0.000 2.141) 3.323 4.378 ( 0.101 0.000 -0.235) 0.256 4.378 ( -0.101 0.000 0.235) 0.256 4.604 ( 0.646 0.000 -2.069) 2.167 4.604 ( -0.646 0.000 2.069) 2.167 5.221 ( 0.388 0.000 -6.346) 6.358 5.221 ( -0.388 0.000 6.346) 6.358 5.337 ( 1.320 0.000 -1.291) 1.846 5.337 ( -1.320 0.000 1.291) 1.846 5.497 ( 3.349 0.000 -8.343) 8.990 5.497 ( -3.349 0.000 8.343) 8.990 5.700 ( 7.589 0.000 -3.903) 8.533 5.700 ( -7.589 0.000 3.903) 8.533 5.836 ( 10.464 0.000 -9.063) 13.843 5.836 ( -10.464 0.000 9.063) 13.843 6.177 ( 1.282 0.000 -2.324) 2.654 6.177 ( -1.282 0.000 2.324) 2.654 6.590 ( 10.821 0.000 -6.836) 12.799 6.590 ( -10.821 0.000 6.836) 12.799 6.962 ( 23.357 0.000 -12.036) 26.276 6.962 ( -23.357 0.000 12.036) 26.276 7.237 ( 11.113 0.000 -6.364) 12.806 7.237 ( -11.113 0.000 6.364) 12.806 7.682 ( 5.020 0.000 -8.482) 9.856 7.682 ( -5.020 0.000 8.482) 9.856 7.827 ( 11.200 0.000 -9.775) 14.865 7.827 ( -11.200 0.000 9.775) 14.865 8.821 ( -18.780 0.000 3.424) 19.089 8.821 ( 18.780 0.000 -3.424) 19.089 8.886 ( -1.728 0.000 -6.953) 7.165 8.886 ( 1.728 0.000 6.953) 7.165 9.267 ( 1.010 0.000 -2.857) 3.030 9.267 ( -1.010 0.000 2.857) 3.030 9.952 ( 1.923 0.000 -2.562) 3.204 9.952 ( -1.923 0.000 2.562) 3.204 11.397 ( 2.670 0.000 -3.344) 4.279 11.397 ( -2.670 0.000 3.344) 4.279 12.537 ( 1.348 0.000 -1.138) 1.764 12.537 ( -1.348 0.000 1.138) 1.764 12.732 ( 1.131 0.000 -1.119) 1.591 12.732 ( -1.131 0.000 1.119) 1.591 13.010 ( 0.020 0.000 -0.138) 0.139 13.010 ( -0.020 0.000 0.138) 0.139 13.433 ( 3.232 0.000 -7.166) 7.861 13.433 ( -3.232 0.000 7.166) 7.861 14.292 ( -0.072 0.000 -1.483) 1.485 14.292 ( 0.072 0.000 1.483) 1.485 14.937 ( 5.943 0.000 -2.005) 6.273 14.937 ( -5.943 0.000 2.005) 6.273 15.291 ( -10.938 0.000 -2.192) 11.156 15.291 ( 10.938 0.000 2.192) 11.156 15.497 ( -8.798 0.000 0.233) 8.801 15.497 ( 8.798 0.000 -0.233) 8.801 15.522 ( 0.906 0.000 -0.453) 1.013 15.522 ( -0.906 0.000 0.453) 1.013 15.908 ( 1.132 0.000 -0.390) 1.197 15.908 ( -1.132 0.000 0.390) 1.197 16.454 ( 6.297 0.000 -2.845) 6.910 16.454 ( -6.297 0.000 2.845) 6.910 16.508 ( -9.033 0.000 -1.670) 9.186 16.508 ( 9.033 0.000 1.670) 9.186 19.680 ( -5.174 0.000 0.327) 5.185 19.680 ( 5.174 0.000 -0.327) 5.185 19.956 ( 9.722 0.000 -4.838) 10.859 19.956 ( -9.722 0.000 4.838) 10.859 ======================= Grid point 119 (52/70) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -5.403 0.000 -18.131) 18.919 0.586 ( 10.737 0.000 -13.195) 17.011 0.640 ( -3.578 0.000 12.719) 13.212 0.801 ( 3.274 0.000 12.485) 12.907 1.130 ( 15.391 0.000 -13.845) 20.702 1.193 ( 0.493 0.000 1.748) 1.816 1.257 ( -2.242 0.000 -1.377) 2.631 1.269 ( -2.581 0.000 1.889) 3.199 1.378 ( -3.421 0.000 2.233) 4.086 1.383 ( -4.464 0.000 3.772) 5.845 1.385 ( -0.743 0.000 -4.615) 4.674 1.527 ( 4.845 0.000 7.494) 8.924 1.593 ( -0.581 0.000 7.372) 7.395 1.605 ( 4.200 0.000 0.077) 4.201 1.625 ( -1.417 0.000 -0.962) 1.713 1.635 ( 4.832 0.000 -3.739) 6.109 1.701 ( -0.870 0.000 2.052) 2.229 1.730 ( 2.272 0.000 3.074) 3.823 1.850 ( -3.889 0.000 0.233) 3.896 1.974 ( -4.142 0.000 -1.223) 4.319 2.064 ( -0.873 0.000 1.809) 2.009 2.074 ( -0.138 0.000 -5.825) 5.827 2.132 ( -5.839 0.000 3.393) 6.753 2.177 ( -1.677 0.000 -1.907) 2.540 2.225 ( -0.476 0.000 -3.600) 3.632 2.316 ( -0.406 0.000 1.118) 1.190 2.321 ( -1.504 0.000 -4.124) 4.390 2.351 ( -0.864 0.000 -5.253) 5.324 2.368 ( -1.215 0.000 1.248) 1.742 2.476 ( 1.928 0.000 3.927) 4.374 2.480 ( 0.477 0.000 4.268) 4.295 2.494 ( 5.173 0.000 0.400) 5.188 2.540 ( 6.514 0.000 4.097) 7.696 2.596 ( -1.469 0.000 -4.789) 5.009 2.657 ( 2.139 0.000 0.948) 2.340 2.697 ( -2.197 0.000 -0.725) 2.313 2.718 ( 1.733 0.000 -1.286) 2.158 2.726 ( -0.281 0.000 1.140) 1.174 2.789 ( 1.907 0.000 2.908) 3.477 2.827 ( -1.491 0.000 3.712) 4.000 2.904 ( 1.103 0.000 1.136) 1.583 2.917 ( 1.173 0.000 -0.870) 1.461 2.923 ( 2.758 0.000 0.376) 2.783 2.964 ( 9.695 0.000 1.916) 9.883 3.166 ( -0.667 0.000 0.503) 0.836 3.275 ( 2.755 0.000 -1.598) 3.185 3.321 ( 1.614 0.000 -3.673) 4.011 3.363 ( 0.262 0.000 1.343) 1.369 3.572 ( -5.469 0.000 6.395) 8.414 3.620 ( 5.422 0.000 -3.854) 6.652 3.741 ( -0.222 0.000 -3.293) 3.300 3.848 ( -0.512 0.000 4.511) 4.540 4.114 ( 3.593 0.000 -1.393) 3.854 4.148 ( 0.270 0.000 3.462) 3.472 4.179 ( 0.002 0.000 1.989) 1.989 4.208 ( 1.355 0.000 -2.293) 2.664 4.362 ( -0.947 0.000 -1.124) 1.470 4.362 ( -1.093 0.000 -0.926) 1.432 4.585 ( -0.702 0.000 -1.404) 1.570 4.600 ( -2.320 0.000 2.453) 3.376 4.972 ( -23.268 0.000 -5.464) 23.901 5.024 ( -13.097 0.000 -2.112) 13.266 5.394 ( -1.415 0.000 -2.137) 2.563 5.425 ( -9.122 0.000 4.314) 10.091 5.457 ( -0.266 0.000 6.801) 6.806 5.478 ( 11.433 0.000 -9.583) 14.918 5.641 ( 3.347 0.000 3.347) 4.734 5.663 ( -6.930 0.000 1.848) 7.172 5.857 ( 3.258 0.000 0.348) 3.277 5.986 ( 12.512 0.000 -7.685) 14.683 6.262 ( 10.098 0.000 -3.260) 10.612 6.262 ( 7.760 0.000 0.327) 7.767 6.485 ( -9.452 0.000 8.266) 12.557 6.682 ( -8.951 0.000 3.120) 9.479 6.722 ( 3.297 0.000 -2.130) 3.925 7.120 ( -9.120 0.000 5.937) 10.882 7.213 ( 18.734 0.000 -14.592) 23.746 7.353 ( 9.720 0.000 -7.739) 12.425 7.520 ( -17.166 0.000 9.353) 19.549 7.591 ( -4.534 0.000 -4.983) 6.737 7.742 ( -10.857 0.000 7.751) 13.340 7.745 ( -8.919 0.000 -9.978) 13.383 8.578 ( 4.622 0.000 -9.590) 10.646 8.828 ( -7.077 0.000 5.841) 9.177 8.870 ( 3.532 0.000 -5.222) 6.304 9.150 ( 16.120 0.000 -7.033) 17.588 9.295 ( 5.512 0.000 -3.219) 6.383 9.315 ( 3.548 0.000 1.744) 3.953 9.867 ( -9.539 0.000 3.393) 10.125 9.874 ( -6.622 0.000 -2.723) 7.160 11.354 ( -5.716 0.000 3.214) 6.558 11.374 ( -1.363 0.000 -3.336) 3.604 12.506 ( -2.839 0.000 0.936) 2.990 12.516 ( -2.053 0.000 -1.393) 2.481 12.719 ( -0.648 0.000 0.125) 0.660 12.729 ( -0.502 0.000 -0.116) 0.516 13.003 ( -0.754 0.000 0.062) 0.757 13.004 ( -0.250 0.000 -0.310) 0.398 13.454 ( 6.334 0.000 -6.179) 8.848 13.474 ( -1.456 0.000 7.974) 8.106 14.290 ( 1.516 0.000 -1.360) 2.036 14.317 ( 1.073 0.000 1.241) 1.640 14.820 ( -5.059 0.000 -2.841) 5.802 14.895 ( -7.733 0.000 1.475) 7.872 15.248 ( 5.926 0.000 0.562) 5.953 15.412 ( 0.377 0.000 4.460) 4.476 15.441 ( -1.053 0.000 2.627) 2.830 15.487 ( -1.552 0.000 -0.380) 1.598 15.534 ( 1.123 0.000 -1.380) 1.780 15.830 ( 8.469 0.000 7.059) 11.025 15.921 ( 1.508 0.000 0.784) 1.700 16.007 ( 10.776 0.000 6.371) 12.518 16.265 ( -11.853 0.000 -9.463) 15.167 16.379 ( -5.010 0.000 1.144) 5.139 16.556 ( 8.212 0.000 -1.214) 8.301 16.617 ( 3.559 0.000 0.245) 3.568 19.626 ( -1.844 0.000 2.042) 2.752 19.726 ( 1.087 0.000 -1.698) 2.016 19.939 ( -1.583 0.000 7.594) 7.757 20.210 ( 11.938 0.000 7.654) 14.181 ======================= Grid point 120 (53/70) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 13.063 0.000 5.887) 14.329 0.668 ( 10.070 0.000 -4.854) 11.179 0.801 ( 8.822 0.000 3.232) 9.395 0.951 ( 1.807 0.000 2.845) 3.370 1.091 ( -7.910 0.000 -2.787) 8.387 1.103 ( -10.201 0.000 -5.350) 11.518 1.234 ( 2.905 0.000 -2.039) 3.549 1.280 ( 2.263 0.000 4.823) 5.327 1.354 ( 2.412 0.000 -0.466) 2.457 1.375 ( 0.250 0.000 -0.308) 0.397 1.381 ( 2.706 0.000 -5.492) 6.122 1.517 ( -6.188 0.000 -1.511) 6.370 1.582 ( 0.033 0.000 -1.579) 1.580 1.632 ( -1.569 0.000 -0.024) 1.570 1.662 ( -1.075 0.000 4.804) 4.923 1.685 ( 3.861 0.000 0.244) 3.868 1.722 ( 1.650 0.000 0.610) 1.759 1.788 ( -1.017 0.000 3.825) 3.958 1.835 ( -1.083 0.000 2.354) 2.591 1.894 ( -1.682 0.000 -2.805) 3.271 2.054 ( 0.191 0.000 -2.198) 2.207 2.066 ( -1.907 0.000 -2.646) 3.262 2.132 ( 3.737 0.000 2.863) 4.708 2.164 ( -0.590 0.000 3.666) 3.714 2.248 ( 3.004 0.000 1.203) 3.236 2.259 ( -2.414 0.000 -6.398) 6.839 2.283 ( 1.182 0.000 1.019) 1.561 2.306 ( -0.279 0.000 -0.661) 0.718 2.371 ( -0.039 0.000 0.809) 0.810 2.489 ( -0.285 0.000 3.071) 3.084 2.496 ( -1.737 0.000 -5.747) 6.003 2.534 ( 1.146 0.000 0.731) 1.359 2.630 ( 2.192 0.000 4.554) 5.054 2.635 ( -0.407 0.000 -1.749) 1.795 2.637 ( -1.303 0.000 1.635) 2.091 2.683 ( 0.073 0.000 4.942) 4.943 2.750 ( 0.632 0.000 1.752) 1.863 2.770 ( 6.240 0.000 -1.731) 6.475 2.779 ( -2.122 0.000 1.023) 2.356 2.870 ( 2.018 0.000 0.819) 2.178 2.917 ( 1.436 0.000 -1.695) 2.222 2.952 ( 1.339 0.000 1.308) 1.873 2.963 ( 0.086 0.000 1.654) 1.656 3.039 ( -3.553 0.000 0.366) 3.572 3.215 ( 3.165 0.000 -1.502) 3.504 3.281 ( -0.496 0.000 -1.104) 1.210 3.374 ( 1.522 0.000 -1.154) 1.910 3.380 ( 9.145 0.000 -3.273) 9.713 3.509 ( -8.982 0.000 7.876) 11.945 3.650 ( -0.701 0.000 -2.671) 2.761 3.729 ( 2.500 0.000 -1.276) 2.807 3.836 ( -4.015 0.000 1.654) 4.342 4.156 ( -1.533 0.000 4.266) 4.534 4.181 ( 5.554 0.000 -0.816) 5.613 4.206 ( 0.091 0.000 -0.345) 0.357 4.238 ( 1.493 0.000 2.804) 3.177 4.341 ( 0.784 0.000 -1.946) 2.097 4.344 ( 1.028 0.000 -1.604) 1.905 4.540 ( -3.272 0.000 -4.761) 5.778 4.575 ( -3.387 0.000 2.341) 4.117 4.611 ( -4.107 0.000 -6.582) 7.759 4.765 ( -14.860 0.000 -0.243) 14.862 5.356 ( 2.166 0.000 -4.077) 4.617 5.375 ( -1.689 0.000 4.314) 4.633 5.438 ( -5.595 0.000 4.566) 7.222 5.544 ( -5.085 0.000 -2.363) 5.607 5.631 ( 10.712 0.000 -2.809) 11.074 5.782 ( 3.782 0.000 3.993) 5.500 5.910 ( 5.196 0.000 -4.120) 6.632 6.017 ( -4.480 0.000 1.748) 4.809 6.357 ( -2.872 0.000 5.385) 6.103 6.359 ( 6.141 0.000 -7.547) 9.730 6.496 ( 7.677 0.000 1.023) 7.745 6.637 ( 4.331 0.000 0.988) 4.442 6.812 ( 2.018 0.000 -0.850) 2.190 7.073 ( 0.601 0.000 5.251) 5.285 7.117 ( -15.107 0.000 -1.632) 15.195 7.415 ( 5.336 0.000 -5.668) 7.784 7.464 ( -4.574 0.000 -0.674) 4.623 7.514 ( -1.359 0.000 -2.218) 2.602 7.602 ( 0.422 0.000 -3.112) 3.140 7.661 ( -1.372 0.000 8.503) 8.613 8.622 ( 5.963 0.000 -7.629) 9.683 8.743 ( -9.239 0.000 6.084) 11.062 8.961 ( 13.363 0.000 -4.855) 14.218 9.253 ( -0.029 0.000 -0.142) 0.145 9.381 ( 7.612 0.000 -4.002) 8.600 9.397 ( 3.263 0.000 1.747) 3.701 9.731 ( -2.943 0.000 -6.866) 7.470 9.745 ( -10.065 0.000 7.277) 12.420 11.286 ( -5.127 0.000 3.116) 6.000 11.305 ( -2.250 0.000 -3.200) 3.911 12.470 ( -1.169 0.000 -1.321) 1.764 12.471 ( -2.020 0.000 0.692) 2.135 12.715 ( 0.350 0.000 -0.596) 0.691 12.720 ( -0.677 0.000 0.540) 0.866 12.994 ( -0.437 0.000 0.345) 0.557 12.998 ( 0.002 0.000 -0.562) 0.562 13.505 ( 6.039 0.000 -6.037) 8.539 13.518 ( -2.153 0.000 6.939) 7.265 14.313 ( 2.325 0.000 -1.015) 2.537 14.342 ( 0.397 0.000 0.781) 0.876 14.741 ( -0.151 0.000 -3.750) 3.753 14.794 ( -6.487 0.000 3.192) 7.230 15.348 ( 4.430 0.000 -1.522) 4.684 15.423 ( -2.356 0.000 1.514) 2.801 15.481 ( 0.215 0.000 2.152) 2.163 15.514 ( 3.006 0.000 7.323) 7.916 15.533 ( 2.398 0.000 -2.633) 3.561 15.892 ( -2.620 0.000 -3.528) 4.395 15.963 ( 1.716 0.000 1.504) 2.282 16.004 ( -2.901 0.000 -8.644) 9.117 16.201 ( 1.713 0.000 6.154) 6.388 16.304 ( -3.493 0.000 -1.121) 3.668 16.664 ( 1.460 0.000 1.282) 1.943 16.671 ( 3.686 0.000 0.846) 3.781 19.639 ( 0.393 0.000 2.291) 2.325 19.708 ( -0.083 0.000 -2.958) 2.959 20.021 ( 1.272 0.000 9.142) 9.230 20.296 ( -3.410 0.000 -2.980) 4.529 ======================= Grid point 121 (54/70) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -7.286 0.000 -13.210) 15.087 0.719 ( 7.286 0.000 13.210) 15.087 0.881 ( -1.978 0.000 -2.996) 3.590 0.881 ( 1.978 0.000 2.996) 3.590 0.961 ( -4.635 0.000 -2.486) 5.259 0.961 ( 4.635 0.000 2.486) 5.259 1.318 ( -2.938 0.000 -4.529) 5.399 1.318 ( 2.938 0.000 4.529) 5.399 1.364 ( 2.281 0.000 -6.579) 6.963 1.364 ( -2.281 0.000 6.579) 6.963 1.415 ( -2.518 0.000 -3.138) 4.023 1.415 ( 2.518 0.000 3.138) 4.023 1.593 ( -2.833 0.000 0.072) 2.834 1.593 ( 2.833 0.000 -0.072) 2.834 1.691 ( -0.832 0.000 -1.481) 1.698 1.691 ( 0.832 0.000 1.481) 1.698 1.782 ( 2.938 0.000 -1.143) 3.153 1.782 ( -2.938 0.000 1.143) 3.153 1.842 ( -0.719 0.000 -2.359) 2.466 1.842 ( 0.719 0.000 2.359) 2.466 2.033 ( 0.906 0.000 -0.688) 1.138 2.033 ( -0.906 0.000 0.688) 1.138 2.181 ( -0.077 0.000 -3.780) 3.781 2.181 ( 0.077 0.000 3.780) 3.781 2.241 ( -4.891 0.000 0.012) 4.891 2.241 ( 4.891 0.000 -0.012) 4.891 2.308 ( 1.043 0.000 -0.472) 1.145 2.308 ( -1.043 0.000 0.472) 1.145 2.397 ( -2.410 0.000 -4.218) 4.858 2.397 ( 2.410 0.000 4.218) 4.858 2.559 ( -3.017 0.000 -3.283) 4.459 2.559 ( 3.017 0.000 3.283) 4.459 2.606 ( -3.870 0.000 -2.150) 4.428 2.606 ( 3.870 0.000 2.150) 4.428 2.695 ( -0.959 0.000 -4.664) 4.762 2.695 ( 0.959 0.000 4.664) 4.762 2.780 ( -3.521 0.000 -2.356) 4.236 2.780 ( 3.521 0.000 2.356) 4.236 2.857 ( 3.508 0.000 -1.201) 3.708 2.857 ( -3.508 0.000 1.201) 3.708 2.944 ( -4.893 0.000 1.376) 5.083 2.944 ( 4.893 0.000 -1.376) 5.083 2.974 ( -0.406 0.000 -0.625) 0.745 2.974 ( 0.406 0.000 0.625) 0.745 3.245 ( 3.039 0.000 -1.221) 3.275 3.245 ( -3.039 0.000 1.221) 3.275 3.408 ( 4.353 0.000 -2.384) 4.963 3.408 ( -4.353 0.000 2.384) 4.963 3.551 ( -7.435 0.000 -0.686) 7.467 3.551 ( 7.435 0.000 0.686) 7.467 3.777 ( -3.899 0.000 1.188) 4.076 3.777 ( 3.899 0.000 -1.188) 4.076 4.187 ( -0.396 0.000 -2.923) 2.949 4.187 ( 0.396 0.000 2.923) 2.949 4.255 ( 2.802 0.000 -2.067) 3.482 4.255 ( -2.802 0.000 2.067) 3.482 4.352 ( 1.514 0.000 -1.374) 2.044 4.352 ( -1.514 0.000 1.374) 2.044 4.504 ( 7.085 0.000 -3.060) 7.718 4.504 ( -7.085 0.000 3.060) 7.718 4.595 ( 3.804 0.000 -1.673) 4.155 4.595 ( -3.804 0.000 1.673) 4.155 5.384 ( 5.132 0.000 -3.873) 6.430 5.384 ( -5.132 0.000 3.873) 6.430 5.434 ( -3.585 0.000 -3.420) 4.954 5.434 ( 3.585 0.000 3.420) 4.954 5.778 ( -6.227 0.000 0.074) 6.228 5.778 ( 6.227 0.000 -0.074) 6.228 5.956 ( 8.105 0.000 -9.476) 12.470 5.956 ( -8.105 0.000 9.476) 12.470 6.354 ( 5.386 0.000 -10.605) 11.894 6.354 ( -5.386 0.000 10.605) 11.894 6.666 ( -8.908 0.000 0.618) 8.930 6.666 ( 8.908 0.000 -0.618) 8.930 6.853 ( -11.680 0.000 -1.145) 11.736 6.853 ( 11.680 0.000 1.145) 11.736 7.276 ( -15.750 0.000 -0.667) 15.764 7.276 ( 15.750 0.000 0.667) 15.764 7.432 ( 2.905 0.000 -4.851) 5.654 7.432 ( -2.905 0.000 4.851) 5.654 7.690 ( 10.040 0.000 -12.963) 16.396 7.690 ( -10.040 0.000 12.963) 16.396 8.656 ( 7.182 0.000 -6.272) 9.535 8.656 ( -7.182 0.000 6.272) 9.535 9.158 ( 12.926 0.000 -4.882) 13.817 9.158 ( -12.926 0.000 4.882) 13.817 9.435 ( 2.084 0.000 -2.930) 3.595 9.435 ( -2.084 0.000 2.930) 3.595 9.681 ( 6.916 0.000 -10.265) 12.377 9.681 ( -6.916 0.000 10.265) 12.377 11.260 ( 1.133 0.000 -3.106) 3.307 11.260 ( -1.133 0.000 3.106) 3.307 12.455 ( 0.610 0.000 -0.828) 1.028 12.455 ( -0.610 0.000 0.828) 1.028 12.716 ( 0.522 0.000 -0.685) 0.861 12.716 ( -0.522 0.000 0.685) 0.861 12.994 ( 0.177 0.000 -0.589) 0.615 12.994 ( -0.177 0.000 0.589) 0.615 13.532 ( 3.959 0.000 -6.262) 7.408 13.532 ( -3.959 0.000 6.262) 7.408 14.340 ( 1.438 0.000 -0.662) 1.583 14.340 ( -1.438 0.000 0.662) 1.583 14.738 ( 3.526 0.000 -3.176) 4.745 14.738 ( -3.526 0.000 3.176) 4.745 15.390 ( 2.609 0.000 -0.942) 2.773 15.390 ( -2.609 0.000 0.942) 2.773 15.510 ( 0.008 0.000 -2.694) 2.694 15.510 ( -0.008 0.000 2.694) 2.694 15.704 ( -6.434 0.000 -9.885) 11.795 15.704 ( 6.434 0.000 9.885) 11.795 15.989 ( 1.210 0.000 -2.057) 2.386 15.989 ( -1.210 0.000 2.057) 2.386 16.249 ( -0.402 0.000 -3.142) 3.168 16.249 ( 0.402 0.000 3.142) 3.168 16.693 ( -0.220 0.000 -1.102) 1.124 16.693 ( 0.220 0.000 1.102) 1.124 19.674 ( -0.548 0.000 -2.778) 2.832 19.674 ( 0.548 0.000 2.778) 2.832 20.156 ( -3.454 0.000 -9.719) 10.315 20.156 ( 3.454 0.000 9.719) 10.315 ======================= Grid point 125 (55/70) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -1.194 5.927 -6.347) 8.766 0.625 ( 1.194 5.927 6.347) 8.766 0.740 ( -1.864 5.124 -2.629) 6.054 0.740 ( 1.864 5.124 2.629) 6.054 1.120 ( 0.085 1.688 -4.643) 4.941 1.120 ( -0.085 1.688 4.643) 4.941 1.320 ( 1.371 0.542 -2.684) 3.063 1.320 ( -1.371 0.542 2.684) 3.063 1.388 ( -0.562 4.351 -2.802) 5.205 1.388 ( 0.562 4.351 2.802) 5.205 1.496 ( 3.484 3.854 -5.888) 7.852 1.496 ( -3.484 3.854 5.888) 7.852 1.563 ( -3.408 2.426 -5.274) 6.732 1.563 ( 3.408 2.426 5.274) 6.732 1.637 ( 0.093 2.124 -1.962) 2.893 1.637 ( -0.093 2.124 1.962) 2.893 1.727 ( -0.261 3.099 -2.020) 3.708 1.727 ( 0.261 3.099 2.020) 3.708 1.934 ( -2.923 -1.760 -2.569) 4.271 1.934 ( 2.923 -1.760 2.569) 4.271 2.060 ( 2.906 -4.564 -3.979) 6.715 2.060 ( -2.906 -4.564 3.979) 6.715 2.201 ( -3.700 -2.123 -1.064) 4.397 2.201 ( 3.700 -2.123 1.064) 4.397 2.249 ( 1.307 -0.795 -2.107) 2.604 2.249 ( -1.307 -0.795 2.107) 2.604 2.325 ( -0.253 -1.483 -3.309) 3.635 2.325 ( 0.253 -1.483 3.309) 3.635 2.400 ( -1.374 -1.537 -2.780) 3.461 2.400 ( 1.374 -1.537 2.780) 3.461 2.477 ( 0.884 2.521 -4.144) 4.930 2.477 ( -0.884 2.521 4.144) 4.930 2.524 ( 1.324 0.054 -3.781) 4.006 2.524 ( -1.324 0.054 3.781) 4.006 2.674 ( -2.959 0.713 -4.214) 5.198 2.674 ( 2.959 0.713 4.214) 5.198 2.724 ( -3.293 -1.345 0.847) 3.656 2.724 ( 3.293 -1.345 -0.847) 3.656 2.819 ( 0.305 3.786 -2.391) 4.488 2.819 ( -0.305 3.786 2.391) 4.488 2.869 ( -1.333 -1.108 -3.525) 3.928 2.869 ( 1.333 -1.108 3.525) 3.928 2.911 ( 1.095 0.460 -1.439) 1.865 2.911 ( -1.095 0.460 1.439) 1.865 3.215 ( -3.420 -1.191 -2.246) 4.262 3.215 ( 3.420 -1.191 2.246) 4.262 3.320 ( 0.742 -2.028 -1.734) 2.769 3.320 ( -0.742 -2.028 1.734) 2.769 3.577 ( 5.914 -0.108 -5.149) 7.842 3.577 ( -5.914 -0.108 5.149) 7.842 3.764 ( -0.942 -2.311 -3.552) 4.341 3.764 ( 0.942 -2.311 3.552) 4.341 4.099 ( 0.108 -0.410 -1.161) 1.236 4.099 ( -0.108 -0.410 1.161) 1.236 4.207 ( 2.623 1.282 -2.996) 4.183 4.207 ( -2.623 1.282 2.996) 4.183 4.376 ( 0.950 0.002 -3.191) 3.330 4.376 ( -0.950 0.002 3.191) 3.330 4.589 ( 1.062 -1.280 -1.549) 2.272 4.589 ( -1.062 -1.280 1.549) 2.272 5.092 ( -5.697 -8.628 0.301) 10.343 5.092 ( 5.697 -8.628 -0.301) 10.343 5.379 ( -3.464 1.612 -2.457) 4.542 5.379 ( 3.464 1.612 2.457) 4.542 5.498 ( 3.093 -1.360 -6.357) 7.199 5.498 ( -3.093 -1.360 6.357) 7.199 5.701 ( -2.709 -0.759 -4.784) 5.550 5.701 ( 2.709 -0.759 4.784) 5.550 5.874 ( 11.737 3.181 -10.185) 15.862 5.874 ( -11.737 3.181 10.185) 15.862 6.150 ( 1.173 -2.765 -2.782) 4.094 6.150 ( -1.173 -2.765 2.782) 4.094 6.575 ( 12.023 -1.256 -8.885) 15.002 6.575 ( -12.023 -1.256 8.885) 15.002 6.959 ( 12.761 -0.651 -7.596) 14.865 6.959 ( -12.761 -0.651 7.596) 14.865 7.243 ( 10.768 0.707 -5.966) 12.330 7.243 ( -10.768 0.707 5.966) 12.330 7.657 ( -4.545 -3.529 -0.056) 5.755 7.657 ( 4.545 -3.529 0.056) 5.755 7.783 ( -2.115 -2.134 -2.090) 3.660 7.783 ( 2.115 -2.134 2.090) 3.660 8.774 ( -7.373 -3.383 -7.190) 10.840 8.774 ( 7.373 -3.383 7.190) 10.840 8.874 ( 3.098 -0.779 -7.257) 7.929 8.874 ( -3.098 -0.779 7.257) 7.929 9.291 ( 1.246 3.382 -3.612) 5.103 9.291 ( -1.246 3.382 3.612) 5.103 10.015 ( -0.065 4.348 -2.039) 4.803 10.015 ( 0.065 4.348 2.039) 4.803 11.404 ( 2.724 0.500 -3.297) 4.306 11.404 ( -2.724 0.500 3.297) 4.306 12.519 ( -0.719 -0.772 -0.669) 1.249 12.519 ( 0.719 -0.772 0.669) 1.249 12.753 ( 2.097 1.286 -2.976) 3.861 12.753 ( -2.097 1.286 2.976) 3.861 13.012 ( -0.087 0.138 -0.146) 0.219 13.012 ( 0.087 0.138 0.146) 0.219 13.437 ( 3.451 0.361 -6.293) 7.186 13.437 ( -3.451 0.361 6.293) 7.186 14.281 ( -0.141 -0.938 -1.366) 1.664 14.281 ( 0.141 -0.938 1.366) 1.664 14.933 ( 3.260 -0.829 -7.455) 8.179 14.933 ( -3.260 -0.829 7.455) 8.179 15.239 ( -8.182 -5.397 -3.306) 10.344 15.239 ( 8.182 -5.397 3.306) 10.344 15.477 ( -1.863 -0.128 -0.219) 1.880 15.477 ( 1.863 -0.128 0.219) 1.880 15.550 ( 0.477 2.066 -1.564) 2.635 15.550 ( -0.477 2.066 1.564) 2.635 15.915 ( 0.187 1.214 -0.813) 1.473 15.915 ( -0.187 1.214 0.813) 1.473 16.467 ( -0.688 -1.086 -3.600) 3.822 16.467 ( 0.688 -1.086 3.600) 3.822 16.572 ( -4.118 6.563 -13.943) 15.951 16.572 ( 4.118 6.563 13.943) 15.951 19.663 ( -4.037 -1.292 0.854) 4.324 19.663 ( 4.037 -1.292 -0.854) 4.324 19.922 ( 4.804 -3.091 -5.611) 8.007 19.922 ( -4.804 -3.091 5.611) 8.007 ======================= Grid point 127 (56/70) ======================= q-point: ( 0.17 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( -2.491 8.002 -12.861) 15.351 0.686 ( 0.171 4.953 8.425) 9.774 0.711 ( 5.295 8.584 -4.126) 10.897 0.862 ( 2.566 5.498 8.586) 10.513 1.136 ( 5.329 -0.153 -0.930) 5.411 1.209 ( 3.800 0.566 -1.110) 3.999 1.283 ( -3.911 -0.032 -0.741) 3.981 1.305 ( -1.212 1.233 1.602) 2.357 1.363 ( -0.649 2.020 0.925) 2.315 1.382 ( -0.993 6.638 -5.664) 8.782 1.442 ( -0.843 3.833 -5.176) 6.496 1.511 ( 3.768 -0.649 -0.525) 3.860 1.567 ( 1.390 -1.142 2.796) 3.325 1.635 ( -0.554 0.772 0.680) 1.168 1.656 ( 1.995 1.700 -1.372) 2.958 1.709 ( 0.163 2.778 3.944) 4.827 1.723 ( 1.168 6.584 2.279) 7.064 1.779 ( 1.299 2.973 4.494) 5.543 1.842 ( -3.550 0.164 0.165) 3.557 1.949 ( -3.718 -1.904 0.682) 4.232 2.023 ( 0.597 -3.667 0.326) 3.730 2.053 ( 2.379 -1.579 -4.001) 4.915 2.136 ( -3.323 0.347 2.468) 4.154 2.166 ( -2.008 -1.292 -1.216) 2.679 2.221 ( -1.909 -1.046 -0.906) 2.358 2.282 ( 0.631 -1.548 0.134) 1.677 2.313 ( -2.286 -0.406 -3.949) 4.581 2.339 ( 0.117 -1.627 -4.623) 4.903 2.394 ( 1.159 -0.034 -1.261) 1.714 2.416 ( 1.169 -3.240 4.224) 5.450 2.468 ( 1.899 1.042 1.468) 2.616 2.534 ( -1.244 0.935 -0.832) 1.764 2.546 ( 4.272 1.089 3.596) 5.689 2.578 ( 0.733 -2.886 0.676) 3.053 2.610 ( 1.582 0.643 -0.974) 1.966 2.689 ( -2.317 -1.248 2.871) 3.895 2.722 ( -1.544 1.291 0.776) 2.157 2.782 ( 0.029 0.424 4.404) 4.425 2.805 ( -0.105 0.400 -0.905) 0.995 2.841 ( 1.736 0.953 -0.189) 1.990 2.866 ( 5.717 -5.171 -2.808) 8.204 2.925 ( 1.137 0.917 0.612) 1.583 2.955 ( 3.885 1.949 2.324) 4.928 2.974 ( 7.313 5.150 1.512) 9.072 3.144 ( -2.336 -1.849 -1.025) 3.150 3.275 ( 1.032 -1.426 1.282) 2.177 3.309 ( 1.488 -1.592 -3.419) 4.054 3.330 ( 1.453 -2.821 -0.812) 3.276 3.524 ( -6.914 -3.372 5.368) 9.380 3.640 ( 6.506 1.730 -4.918) 8.337 3.733 ( 0.600 -0.524 -1.410) 1.619 3.816 ( 1.092 -2.271 2.243) 3.374 4.116 ( 2.172 -2.389 -0.181) 3.234 4.133 ( 2.075 0.589 1.253) 2.495 4.180 ( -1.792 1.357 1.762) 2.856 4.220 ( 1.335 0.464 -1.643) 2.168 4.359 ( 0.622 -0.105 -2.455) 2.535 4.384 ( -1.225 1.919 2.143) 3.127 4.576 ( -2.204 -1.916 1.643) 3.351 4.584 ( -0.062 -0.140 -1.052) 1.063 4.891 ( -13.058 -3.799 -3.849) 14.133 5.052 ( -12.312 -3.070 -2.548) 12.942 5.338 ( 0.476 -2.083 1.518) 2.621 5.389 ( -2.087 -2.180 -1.549) 3.392 5.459 ( -2.559 0.427 1.375) 2.936 5.491 ( -1.590 -0.868 0.316) 1.839 5.602 ( -2.861 -1.363 -0.706) 3.247 5.788 ( -4.177 5.545 7.424) 10.164 5.813 ( 3.156 -3.902 0.298) 5.027 5.998 ( 8.738 0.152 -7.168) 11.303 6.232 ( 9.587 -3.016 -1.589) 10.175 6.247 ( 7.286 -1.565 1.332) 7.571 6.458 ( -8.383 -2.327 7.736) 11.642 6.686 ( 9.940 -2.847 -8.991) 13.702 6.694 ( -13.777 0.014 4.544) 14.507 7.123 ( -8.391 0.848 6.125) 10.424 7.201 ( 11.848 -2.229 -10.938) 16.279 7.364 ( 9.449 -0.180 -5.840) 11.109 7.503 ( -9.890 -0.537 5.826) 11.491 7.594 ( -10.879 -1.925 -0.821) 11.079 7.701 ( -1.115 -0.605 0.225) 1.289 7.753 ( -8.227 1.135 -2.322) 8.623 8.614 ( 5.249 3.141 -7.573) 9.735 8.829 ( -6.388 -0.259 4.764) 7.973 8.856 ( 2.184 -1.465 -4.266) 5.011 9.074 ( 13.298 -5.073 0.057) 14.232 9.314 ( 4.851 2.608 -1.944) 5.840 9.355 ( 4.606 3.696 1.130) 6.013 9.892 ( -10.326 3.080 0.130) 10.777 9.975 ( -5.515 6.182 -1.203) 8.371 11.349 ( -5.166 -0.039 1.756) 5.457 11.395 ( -1.227 1.346 -2.391) 3.006 12.484 ( -1.793 0.040 0.273) 1.814 12.540 ( 0.123 0.591 -0.320) 0.684 12.731 ( -3.045 1.342 2.458) 4.137 12.744 ( 0.138 0.822 -2.136) 2.292 13.003 ( -0.559 0.144 -0.087) 0.584 13.009 ( -0.339 0.346 -0.107) 0.496 13.439 ( 1.494 -0.836 0.815) 1.896 13.482 ( 2.848 0.341 0.059) 2.869 14.279 ( 1.368 -0.894 -1.138) 1.992 14.306 ( 1.107 -1.011 1.115) 1.868 14.829 ( -3.376 0.511 -5.193) 6.215 14.898 ( -7.624 -0.070 3.945) 8.584 15.208 ( 4.908 -3.566 0.822) 6.122 15.396 ( 0.907 -1.977 4.302) 4.821 15.465 ( -1.017 1.128 3.233) 3.572 15.530 ( 0.488 1.794 -2.757) 3.325 15.551 ( 0.008 2.907 0.293) 2.922 15.659 ( 12.647 -14.206 3.810) 19.398 15.919 ( 0.990 1.577 -0.460) 1.918 15.949 ( 3.322 0.367 0.191) 3.348 16.297 ( -7.577 5.888 -10.701) 14.373 16.433 ( -1.581 -0.834 -3.521) 3.949 16.543 ( 2.835 -0.581 3.360) 4.435 16.745 ( 1.275 7.783 8.457) 11.564 19.624 ( -1.571 -0.103 1.898) 2.466 19.705 ( 1.433 -1.838 -1.452) 2.746 19.910 ( -1.258 -2.904 5.917) 6.710 20.075 ( 10.119 -10.154 0.348) 14.339 ======================= Grid point 128 (57/70) ======================= q-point: ( 0.33 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 10.021 8.119 3.224) 13.294 0.781 ( 4.506 6.244 2.582) 8.122 0.836 ( 9.589 4.712 -2.028) 10.875 0.953 ( 0.779 2.941 2.197) 3.753 1.122 ( -8.674 1.989 -2.744) 9.313 1.187 ( -2.291 6.135 -2.013) 6.851 1.241 ( -1.908 0.260 1.069) 2.202 1.307 ( 2.647 3.138 0.988) 4.223 1.354 ( -0.859 -1.625 2.020) 2.730 1.370 ( 0.783 2.916 2.014) 3.630 1.402 ( 3.783 2.700 -9.496) 10.573 1.545 ( -5.417 1.411 -2.144) 5.995 1.563 ( 1.055 0.448 -1.024) 1.537 1.601 ( -0.573 -1.585 0.431) 1.740 1.667 ( 1.760 0.454 0.722) 1.956 1.712 ( -0.155 0.238 0.921) 0.964 1.758 ( 0.538 3.994 2.608) 4.800 1.814 ( -0.156 -0.834 3.223) 3.332 1.849 ( 0.466 3.773 0.608) 3.850 1.895 ( -1.931 0.230 -3.244) 3.782 2.048 ( -0.956 -1.893 1.597) 2.655 2.079 ( -1.304 0.846 -0.991) 1.843 2.108 ( 1.494 -2.660 -1.479) 3.391 2.143 ( 2.890 -0.556 0.322) 2.961 2.209 ( -2.990 -2.842 -2.621) 4.888 2.282 ( 1.754 2.671 3.226) 4.541 2.303 ( 1.815 -0.608 -0.272) 1.934 2.314 ( 1.227 0.463 -0.508) 1.406 2.365 ( -1.643 1.960 -1.852) 3.158 2.431 ( -0.219 -2.635 -0.904) 2.794 2.508 ( -0.948 -1.342 1.159) 2.011 2.550 ( -0.501 1.999 0.792) 2.208 2.574 ( 2.523 -5.188 -2.168) 6.163 2.585 ( 2.577 -2.538 1.854) 4.065 2.652 ( 0.789 0.742 1.956) 2.236 2.699 ( -1.130 -1.817 3.878) 4.429 2.734 ( -0.273 2.755 3.481) 4.448 2.772 ( -1.517 0.696 -0.770) 1.838 2.824 ( 0.979 0.622 5.163) 5.291 2.879 ( 1.356 -1.171 -0.470) 1.852 2.931 ( -0.459 -0.741 0.687) 1.109 2.950 ( 4.891 4.120 -3.114) 7.113 3.017 ( 1.413 3.413 0.505) 3.728 3.063 ( -0.979 1.942 -0.358) 2.204 3.159 ( 5.885 -4.805 -1.380) 7.722 3.276 ( -2.242 -0.828 1.384) 2.762 3.309 ( 3.074 -3.223 -4.763) 6.521 3.382 ( 7.029 -2.301 -2.036) 7.671 3.439 ( -8.693 -5.360 5.826) 11.758 3.646 ( -2.126 -0.867 -2.733) 3.569 3.767 ( 3.579 3.529 -0.805) 5.090 3.828 ( -0.697 -0.110 0.037) 0.706 4.152 ( 1.654 -2.136 1.037) 2.893 4.170 ( -1.357 -0.021 5.822) 5.978 4.214 ( 4.918 2.204 -1.895) 5.713 4.241 ( 1.299 -1.192 0.787) 1.931 4.353 ( 0.254 1.330 -0.224) 1.373 4.383 ( 0.349 2.955 -0.405) 3.003 4.531 ( -3.671 -0.840 -2.738) 4.656 4.575 ( 0.415 0.261 -0.960) 1.078 4.641 ( -7.851 1.888 -3.052) 8.632 4.766 ( -16.037 -0.232 -0.552) 16.048 5.338 ( 1.138 -1.090 -1.718) 2.331 5.366 ( -2.107 -2.951 4.453) 5.743 5.438 ( -1.790 1.194 -0.684) 2.258 5.523 ( -5.743 -2.730 3.219) 7.127 5.552 ( 9.547 -4.303 -5.174) 11.680 5.786 ( -3.899 -3.066 2.662) 5.629 5.876 ( 6.097 -1.616 -3.605) 7.265 6.008 ( -2.997 -1.090 2.068) 3.801 6.319 ( -1.320 -2.772 3.518) 4.669 6.365 ( 3.668 -1.235 -1.930) 4.324 6.486 ( 8.160 -1.208 -0.697) 8.278 6.638 ( 4.000 -0.397 -0.320) 4.032 6.772 ( 7.472 -5.152 -4.684) 10.213 7.042 ( -6.646 -0.677 6.856) 9.573 7.077 ( -13.614 -4.163 -0.323) 14.239 7.413 ( -6.877 -7.592 -1.008) 10.293 7.457 ( 0.042 2.930 -0.236) 2.939 7.508 ( 1.639 1.014 -4.285) 4.698 7.653 ( 5.443 7.638 -3.864) 10.143 7.706 ( -1.202 2.983 6.602) 7.344 8.654 ( 3.910 2.636 -6.093) 7.704 8.747 ( -8.192 -0.098 4.919) 9.556 8.942 ( 13.113 -2.063 -3.589) 13.751 9.227 ( 2.872 -1.210 1.653) 3.528 9.379 ( 3.275 0.047 -1.084) 3.450 9.427 ( 1.332 4.477 0.604) 4.710 9.737 ( -4.369 2.408 -1.152) 5.120 9.853 ( -6.726 6.012 -0.581) 9.040 11.286 ( -3.571 0.432 1.727) 3.990 11.331 ( -2.997 1.820 -2.126) 4.100 12.470 ( -0.280 1.486 0.467) 1.582 12.517 ( -1.813 2.728 -0.532) 3.318 12.713 ( -1.049 0.204 1.178) 1.591 12.726 ( -0.212 0.205 -1.209) 1.244 12.996 ( -0.278 0.235 0.165) 0.400 13.002 ( -0.182 0.360 -0.356) 0.538 13.486 ( 2.336 -1.389 0.982) 2.890 13.520 ( 1.591 -0.143 -0.457) 1.661 14.302 ( 2.109 -0.907 -0.680) 2.394 14.330 ( 0.473 -1.034 0.599) 1.286 14.755 ( 0.404 1.052 -4.441) 4.582 14.811 ( -6.907 1.185 4.241) 8.191 15.315 ( 5.612 -3.862 0.535) 6.834 15.428 ( -0.707 -0.926 3.399) 3.593 15.455 ( -2.569 0.891 1.428) 3.071 15.507 ( 0.543 -1.902 -4.231) 4.670 15.597 ( 3.787 4.492 3.041) 6.616 15.803 ( -0.385 -13.008 0.294) 13.017 15.937 ( 2.509 2.571 -0.492) 3.626 16.007 ( 1.661 1.903 -0.910) 2.685 16.150 ( 1.973 2.752 -4.623) 5.730 16.353 ( -5.039 -1.015 -1.781) 5.440 16.635 ( 2.902 0.131 4.522) 5.375 16.777 ( -2.238 5.022 1.134) 5.614 19.636 ( 0.283 -0.267 2.105) 2.140 19.695 ( 0.034 -1.186 -2.486) 2.755 19.974 ( 0.699 -4.432 7.706) 8.917 20.155 ( 1.088 -11.675 -4.637) 12.609 ======================= Grid point 129 (58/70) ======================= q-point: (-0.50 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( -9.573 2.159 -7.596) 12.409 0.745 ( 9.573 2.159 7.596) 12.409 0.944 ( -2.042 4.225 -5.094) 6.926 0.944 ( 2.042 4.225 5.094) 6.926 1.039 ( -7.934 8.185 -0.820) 11.428 1.039 ( 7.934 8.185 0.820) 11.428 1.307 ( -2.519 -1.595 -0.862) 3.104 1.307 ( 2.519 -1.595 0.862) 3.104 1.371 ( 2.252 2.031 -3.237) 4.435 1.371 ( -2.252 2.031 3.237) 4.435 1.430 ( -2.370 1.906 -3.967) 4.999 1.430 ( 2.370 1.906 3.967) 4.999 1.587 ( 1.828 -0.297 -2.423) 3.050 1.587 ( -1.828 -0.297 2.423) 3.050 1.715 ( 0.373 1.549 -2.597) 3.047 1.715 ( -0.373 1.549 2.597) 3.047 1.805 ( -3.361 1.277 -1.730) 3.990 1.805 ( 3.361 1.277 1.730) 3.990 1.848 ( -0.257 1.287 -1.728) 2.170 1.848 ( 0.257 1.287 1.728) 2.170 2.039 ( 1.724 0.372 -3.883) 4.265 2.039 ( -1.724 0.372 3.883) 4.265 2.141 ( -1.048 -3.376 -2.612) 4.396 2.141 ( 1.048 -3.376 2.612) 4.396 2.238 ( -3.809 -0.044 -0.228) 3.816 2.238 ( 3.809 -0.044 0.228) 3.816 2.328 ( -0.308 -0.049 -1.260) 1.298 2.328 ( 0.308 -0.049 1.260) 1.298 2.379 ( -3.284 0.569 -2.094) 3.936 2.379 ( 3.284 0.569 2.094) 3.936 2.535 ( -1.618 -2.485 -1.695) 3.416 2.535 ( 1.618 -2.485 1.695) 3.416 2.622 ( -1.515 1.138 -4.288) 4.688 2.622 ( 1.515 1.138 4.288) 4.688 2.680 ( -1.845 -2.012 -1.367) 3.053 2.680 ( 1.845 -2.012 1.367) 3.053 2.762 ( 1.964 -0.852 -3.730) 4.300 2.762 ( -1.964 -0.852 3.730) 4.300 2.885 ( -0.978 0.972 -2.038) 2.460 2.885 ( 0.978 0.972 2.038) 2.460 2.932 ( -0.590 2.661 -6.866) 7.388 2.932 ( 0.590 2.661 6.866) 7.388 3.038 ( -0.382 3.065 -1.591) 3.474 3.038 ( 0.382 3.065 1.591) 3.474 3.231 ( 4.060 -1.828 -1.362) 4.656 3.231 ( -4.060 -1.828 1.362) 4.656 3.347 ( 7.216 -4.916 -5.615) 10.381 3.347 ( -7.216 -4.916 5.615) 10.381 3.528 ( -3.537 -2.272 -3.737) 5.625 3.528 ( 3.537 -2.272 3.737) 5.625 3.808 ( 0.476 2.910 -0.715) 3.034 3.808 ( -0.476 2.910 0.715) 3.034 4.185 ( 1.296 -0.695 -1.131) 1.855 4.185 ( -1.296 -0.695 1.131) 1.855 4.260 ( 1.956 0.578 -3.689) 4.216 4.260 ( -1.956 0.578 3.689) 4.216 4.370 ( -0.333 1.752 -2.611) 3.162 4.370 ( 0.333 1.752 2.611) 3.162 4.512 ( -1.786 0.730 -1.330) 2.343 4.512 ( 1.786 0.730 1.330) 2.343 4.594 ( 2.938 -0.091 -1.760) 3.426 4.594 ( -2.938 -0.091 1.760) 3.426 5.363 ( 5.446 -2.205 -7.586) 9.595 5.363 ( -5.446 -2.205 7.586) 9.595 5.440 ( 2.516 0.494 -5.306) 5.893 5.440 ( -2.516 0.494 5.306) 5.893 5.693 ( -4.880 -6.775 -0.588) 8.370 5.693 ( 4.880 -6.775 0.588) 8.371 5.953 ( 7.301 -0.758 -8.010) 10.865 5.953 ( -7.301 -0.758 8.010) 10.865 6.339 ( 4.170 -2.255 -9.679) 10.777 6.339 ( -4.170 -2.255 9.679) 10.777 6.658 ( -8.616 -1.000 0.143) 8.675 6.658 ( 8.616 -1.000 -0.143) 8.675 6.835 ( -10.226 -1.906 -0.871) 10.439 6.835 ( 10.226 -1.906 0.871) 10.439 7.184 ( -13.105 -7.195 -2.491) 15.156 7.184 ( 13.105 -7.195 2.491) 15.156 7.484 ( 1.086 3.385 -3.998) 5.350 7.484 ( -1.086 3.385 3.998) 5.350 7.730 ( 7.092 4.139 -9.160) 12.302 7.730 ( -7.092 4.139 9.160) 12.302 8.670 ( 5.466 0.874 -5.803) 8.020 8.670 ( -5.466 0.874 5.803) 8.020 9.155 ( -2.722 -1.300 -1.748) 3.487 9.155 ( 2.722 -1.300 1.748) 3.487 9.415 ( 0.251 2.050 -3.264) 3.862 9.415 ( -0.251 2.050 3.264) 3.862 9.750 ( 4.563 4.112 -8.384) 10.393 9.750 ( -4.563 4.112 8.384) 10.393 11.276 ( 0.339 1.420 -2.741) 3.105 11.276 ( -0.339 1.420 2.741) 3.105 12.483 ( -0.636 2.657 -1.043) 2.924 12.483 ( 0.636 2.657 1.043) 2.924 12.715 ( 0.450 -0.152 -1.366) 1.447 12.715 ( -0.450 -0.152 1.366) 1.447 12.997 ( 0.009 0.293 -0.383) 0.482 12.997 ( -0.009 0.293 0.383) 0.482 13.523 ( 3.069 -0.859 -5.800) 6.618 13.523 ( -3.069 -0.859 5.800) 6.618 14.328 ( -0.053 -0.985 -0.218) 1.010 14.328 ( 0.053 -0.985 0.218) 1.010 14.754 ( 3.889 1.257 -3.727) 5.531 14.754 ( -3.889 1.257 3.727) 5.531 15.397 ( -3.629 -1.331 0.325) 3.880 15.397 ( 3.629 -1.331 -0.325) 3.880 15.470 ( 0.029 -1.888 -4.027) 4.448 15.470 ( -0.029 -1.888 4.027) 4.448 15.714 ( -2.647 -0.421 -6.416) 6.953 15.714 ( 2.647 -0.421 6.416) 6.953 15.985 ( 0.090 1.566 -2.493) 2.946 15.985 ( -0.090 1.566 2.493) 2.946 16.233 ( -3.504 -1.139 -2.953) 4.722 16.233 ( 3.504 -1.139 2.953) 4.722 16.721 ( -1.061 1.875 -4.560) 5.043 16.721 ( 1.061 1.875 4.560) 5.043 19.666 ( -0.456 -0.675 -2.441) 2.573 19.666 ( 0.456 -0.675 2.441) 2.573 20.075 ( -1.128 -7.373 -8.647) 11.420 20.075 ( 1.128 -7.373 8.647) 11.420 ======================= Grid point 133 (59/70) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 1.332 7.411 -7.562) 10.672 0.764 ( -1.332 7.411 7.562) 10.672 0.854 ( -0.453 5.340 -4.931) 7.283 0.854 ( 0.453 5.340 4.931) 7.283 1.152 ( 6.366 2.151 -4.420) 8.043 1.152 ( -6.366 2.151 4.420) 8.043 1.284 ( -0.580 -1.705 -2.125) 2.786 1.284 ( 0.580 -1.705 2.125) 2.786 1.463 ( 2.059 1.138 -4.040) 4.675 1.463 ( -2.059 1.138 4.040) 4.675 1.560 ( -1.634 3.427 -2.104) 4.341 1.560 ( 1.634 3.427 2.104) 4.341 1.638 ( -1.849 1.868 -0.998) 2.811 1.638 ( 1.849 1.868 0.998) 2.811 1.714 ( -2.966 2.289 -7.638) 8.507 1.714 ( 2.966 2.289 7.638) 8.507 1.803 ( 2.994 4.975 -1.800) 6.080 1.803 ( -2.994 4.975 1.800) 6.080 1.888 ( 0.022 -0.762 -3.182) 3.272 1.888 ( -0.022 -0.762 3.182) 3.272 2.048 ( 3.826 3.859 -4.531) 7.075 2.048 ( -3.826 3.859 4.531) 7.075 2.154 ( -1.821 -2.370 -1.495) 3.342 2.154 ( 1.821 -2.370 1.495) 3.342 2.182 ( -4.477 -3.849 -2.746) 6.512 2.182 ( 4.477 -3.849 2.746) 6.512 2.320 ( -0.610 -0.284 -2.108) 2.213 2.320 ( 0.610 -0.284 2.108) 2.213 2.385 ( -3.263 0.067 -1.620) 3.644 2.385 ( 3.263 0.067 1.620) 3.644 2.490 ( -1.601 -1.553 -1.667) 2.785 2.490 ( 1.601 -1.553 1.667) 2.785 2.530 ( -0.637 1.172 -0.564) 1.448 2.530 ( 0.637 1.172 0.564) 1.448 2.680 ( -1.485 -0.095 -5.320) 5.524 2.680 ( 1.485 -0.095 5.320) 5.524 2.715 ( -0.080 -0.241 -2.981) 2.992 2.715 ( 0.080 -0.241 2.981) 2.992 2.848 ( -0.717 -0.174 -3.792) 3.863 2.848 ( 0.717 -0.174 3.792) 3.863 2.885 ( -2.475 2.258 -3.375) 4.756 2.885 ( 2.475 2.258 3.375) 4.756 2.944 ( 0.501 3.189 -2.824) 4.289 2.944 ( -0.501 3.189 2.824) 4.289 3.161 ( -1.052 -3.523 -1.872) 4.125 3.161 ( 1.052 -3.523 1.872) 4.125 3.277 ( 0.849 -1.921 -0.389) 2.136 3.277 ( -0.849 -1.921 0.389) 2.136 3.591 ( 3.579 0.994 -3.462) 5.078 3.591 ( -3.579 0.994 3.462) 5.078 3.712 ( -1.916 -2.914 -1.170) 3.678 3.712 ( 1.916 -2.914 1.170) 3.678 4.074 ( -0.267 -2.223 -2.038) 3.027 4.074 ( 0.267 -2.223 2.038) 3.027 4.240 ( 2.890 1.812 -2.943) 4.505 4.240 ( -2.890 1.812 2.943) 4.505 4.387 ( -0.115 1.221 -4.633) 4.793 4.387 ( 0.115 1.221 4.633) 4.793 4.562 ( 0.767 -1.345 -2.080) 2.593 4.562 ( -0.767 -1.345 2.080) 2.593 4.938 ( -3.240 -6.923 -1.335) 7.759 4.938 ( 3.240 -6.923 1.335) 7.759 5.374 ( 2.129 -2.722 -2.997) 4.574 5.374 ( -2.129 -2.722 2.997) 4.574 5.449 ( 1.869 -2.440 -4.310) 5.294 5.449 ( -1.869 -2.440 4.310) 5.294 5.672 ( -3.066 -1.762 -2.898) 4.572 5.672 ( 3.066 -1.762 2.898) 4.572 5.878 ( 8.866 -4.369 -6.534) 11.848 5.878 ( -8.866 -4.369 6.534) 11.848 6.107 ( -1.678 -0.106 -2.924) 3.373 6.107 ( 1.678 -0.106 2.924) 3.373 6.550 ( 8.993 -1.204 -7.940) 12.057 6.550 ( -8.993 -1.204 7.940) 12.057 6.920 ( -3.279 -3.557 -2.566) 5.477 6.920 ( 3.279 -3.557 2.566) 5.477 7.267 ( 4.717 1.726 -3.588) 6.173 7.267 ( -4.717 1.726 3.588) 6.173 7.561 ( 6.897 -4.694 -4.655) 9.554 7.561 ( -6.897 -4.694 4.655) 9.554 7.794 ( -3.019 2.416 -1.368) 4.102 7.794 ( 3.019 2.416 1.368) 4.102 8.729 ( -1.861 -1.267 -8.459) 8.753 8.729 ( 1.861 -1.267 8.459) 8.753 8.863 ( 2.468 -0.297 -4.509) 5.149 8.863 ( -2.468 -0.297 4.509) 5.149 9.395 ( 1.134 6.688 -3.413) 7.594 9.395 ( -1.134 6.688 3.413) 7.594 10.072 ( -0.472 1.352 -2.518) 2.897 10.072 ( 0.472 1.352 2.518) 2.897 11.411 ( 1.544 0.112 -2.154) 2.653 11.411 ( -1.544 0.112 2.154) 2.653 12.525 ( 1.727 1.242 -0.925) 2.320 12.525 ( -1.727 1.242 0.925) 2.320 12.766 ( 1.651 0.077 -3.163) 3.569 12.766 ( -1.651 0.077 3.163) 3.569 13.015 ( 0.022 0.149 -0.551) 0.571 13.015 ( -0.022 0.149 0.551) 0.571 13.445 ( 3.322 0.456 -4.684) 5.760 13.445 ( -3.322 0.456 4.684) 5.760 14.262 ( -0.273 -0.837 -0.777) 1.174 14.262 ( 0.273 -0.837 0.777) 1.174 14.898 ( 3.033 -2.719 -8.473) 9.401 14.898 ( -3.033 -2.719 8.473) 9.401 15.119 ( -2.624 -5.771 -2.000) 6.648 15.119 ( 2.624 -5.771 2.000) 6.648 15.505 ( -1.451 2.238 -1.473) 3.047 15.505 ( 1.451 2.238 1.473) 3.047 15.580 ( -1.126 0.820 -1.482) 2.034 15.580 ( 1.126 0.820 1.482) 2.034 15.952 ( 1.497 2.106 -1.805) 3.152 15.952 ( -1.497 2.106 1.805) 3.152 16.445 ( -1.637 -0.543 -1.978) 2.624 16.445 ( 1.637 -0.543 1.978) 2.624 16.679 ( -3.768 3.776 -12.997) 14.049 16.679 ( 3.768 3.776 12.997) 14.049 19.645 ( 1.963 -0.288 -1.253) 2.346 19.645 ( -1.963 -0.288 1.253) 2.346 19.849 ( 2.930 -4.179 -5.195) 7.283 19.849 ( -2.930 -4.179 5.195) 7.283 ======================= Grid point 135 (60/70) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -2.087 9.702 -7.797) 12.621 0.793 ( -1.619 5.947 7.305) 9.558 0.859 ( 4.181 5.902 0.281) 7.238 0.969 ( 4.813 4.153 2.007) 6.666 1.135 ( -1.396 0.383 5.937) 6.110 1.226 ( 3.550 1.480 -1.259) 4.047 1.263 ( 1.944 0.760 -1.494) 2.567 1.290 ( -1.850 -0.587 1.438) 2.416 1.450 ( -2.366 -1.175 -1.363) 2.973 1.484 ( 4.083 3.655 -3.871) 6.710 1.504 ( -3.304 2.878 2.453) 5.022 1.573 ( -0.472 4.713 -1.894) 5.101 1.595 ( 1.868 3.244 -7.001) 7.939 1.629 ( -1.504 -1.381 3.258) 3.845 1.687 ( 1.841 0.895 -0.839) 2.212 1.754 ( -1.932 0.775 0.289) 2.101 1.793 ( -1.976 2.166 2.084) 3.597 1.856 ( 2.647 4.940 0.338) 5.615 1.871 ( -2.423 2.715 0.159) 3.642 1.947 ( 1.428 -3.045 -1.008) 3.511 1.964 ( -4.961 2.989 2.056) 6.146 2.057 ( 5.245 2.706 -4.125) 7.201 2.131 ( 0.889 -0.408 1.348) 1.665 2.153 ( -1.850 -0.151 -1.657) 2.488 2.189 ( 1.034 -0.333 5.323) 5.433 2.266 ( 0.666 -1.219 -2.392) 2.766 2.291 ( 0.895 -2.382 -0.695) 2.638 2.308 ( -1.114 -0.268 -1.216) 1.670 2.347 ( 0.298 -0.847 1.244) 1.534 2.419 ( 0.156 0.125 0.510) 0.548 2.473 ( 0.279 -1.596 -1.677) 2.332 2.502 ( 2.998 -2.173 -0.785) 3.785 2.563 ( -2.158 1.603 -0.047) 2.689 2.594 ( 1.123 -0.973 2.281) 2.722 2.606 ( 1.297 0.315 -0.118) 1.340 2.672 ( -1.688 -0.609 2.093) 2.757 2.735 ( -0.359 -0.012 2.386) 2.412 2.772 ( 1.911 -0.853 0.528) 2.159 2.798 ( 0.689 -2.131 -1.997) 3.000 2.834 ( 2.952 4.348 -0.361) 5.268 2.865 ( -1.521 3.142 1.511) 3.804 2.942 ( 0.477 1.527 1.759) 2.378 2.963 ( 2.159 -1.053 1.707) 2.947 3.054 ( 4.276 -1.014 2.019) 4.836 3.132 ( 2.160 2.022 -1.605) 3.367 3.202 ( 1.679 -4.625 0.536) 4.949 3.268 ( 0.659 -2.504 -1.037) 2.789 3.286 ( 1.611 -0.607 -2.771) 3.263 3.478 ( -7.990 -1.403 1.665) 8.281 3.637 ( 1.496 -2.697 -3.117) 4.385 3.750 ( 6.753 2.137 -0.635) 7.112 3.781 ( 3.938 -1.282 0.358) 4.157 4.067 ( 0.726 -2.385 0.119) 2.496 4.120 ( 2.073 -2.472 1.945) 3.767 4.213 ( -2.168 1.214 2.301) 3.387 4.237 ( 0.914 1.781 -3.596) 4.116 4.364 ( 1.239 0.855 -1.545) 2.157 4.437 ( -0.615 3.532 4.675) 5.891 4.533 ( -1.603 -2.075 0.211) 2.630 4.582 ( 0.579 -0.430 0.136) 0.734 4.821 ( -6.842 -4.013 -4.093) 8.926 4.934 ( -6.009 -6.737 0.272) 9.032 5.305 ( -5.653 -3.882 3.184) 7.560 5.343 ( 0.001 -1.402 -3.945) 4.186 5.437 ( -1.724 -2.499 -0.709) 3.118 5.464 ( -0.205 -1.856 -0.003) 1.867 5.589 ( -4.207 -0.160 1.085) 4.347 5.727 ( -0.442 -4.627 1.092) 4.774 5.828 ( -2.605 -1.124 4.081) 4.970 5.961 ( 5.079 -3.955 -3.933) 7.543 6.161 ( 9.098 -3.137 -0.492) 9.636 6.218 ( 5.461 -0.888 2.252) 5.973 6.414 ( -6.997 -1.864 5.047) 8.826 6.594 ( 2.088 -5.564 -9.196) 10.949 6.693 ( -10.275 -0.472 2.258) 10.531 7.069 ( 3.101 -8.232 -4.033) 9.677 7.193 ( -6.328 3.076 2.969) 7.637 7.332 ( 3.674 -2.111 -4.467) 6.157 7.499 ( -2.410 0.095 4.116) 4.770 7.552 ( -4.771 -1.459 -0.421) 5.006 7.740 ( -0.088 3.788 0.035) 3.790 7.806 ( -1.042 3.598 -0.635) 3.800 8.674 ( 4.292 2.481 -2.739) 5.664 8.812 ( -2.872 -1.389 -1.447) 3.503 8.834 ( -1.925 -0.193 2.301) 3.006 8.987 ( 12.641 -3.860 2.921) 13.537 9.398 ( 2.395 5.999 -0.689) 6.496 9.468 ( 5.441 7.021 0.430) 8.893 9.950 ( -8.987 2.419 -1.599) 9.444 10.052 ( -4.882 1.484 -0.689) 5.149 11.354 ( -4.441 0.459 0.950) 4.564 11.411 ( -1.012 0.202 -1.618) 1.919 12.510 ( -0.874 2.201 1.076) 2.601 12.552 ( 1.887 0.912 -0.801) 2.244 12.749 ( -1.095 0.095 -0.506) 1.210 12.755 ( -2.008 0.401 0.654) 2.150 13.007 ( -0.209 0.221 -0.458) 0.549 13.015 ( -0.417 0.271 0.372) 0.621 13.432 ( -0.764 0.080 2.394) 2.514 13.484 ( 3.528 -0.136 -2.245) 4.184 14.264 ( 1.148 -0.568 -0.486) 1.370 14.285 ( 1.310 -1.012 0.639) 1.775 14.825 ( -0.941 -1.006 -6.560) 6.703 14.881 ( -6.663 -1.768 6.357) 9.377 15.133 ( 4.641 -3.705 0.006) 5.939 15.247 ( 5.340 -10.451 3.664) 12.295 15.476 ( -0.420 1.115 -1.155) 1.660 15.537 ( -0.066 -0.871 -1.355) 1.612 15.567 ( 2.656 2.029 0.783) 3.433 15.615 ( 2.113 2.325 0.214) 3.149 15.963 ( 0.981 1.976 1.368) 2.596 15.978 ( 3.259 2.105 -1.517) 4.166 16.380 ( -3.748 0.039 0.840) 3.842 16.462 ( -6.692 6.827 -10.135) 13.932 16.532 ( 5.189 -0.576 0.702) 5.268 16.819 ( -1.017 0.235 8.673) 8.735 19.626 ( -1.208 0.403 1.586) 2.034 19.672 ( 1.561 -1.166 -1.202) 2.289 19.837 ( -0.407 -4.304 2.050) 4.784 19.904 ( 4.327 -7.166 -1.437) 8.493 ======================= Grid point 136 (61/70) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 5.066 7.813 0.614) 9.332 0.855 ( 0.467 3.144 3.457) 4.696 0.945 ( 4.755 5.285 0.229) 7.113 1.056 ( 5.902 5.003 -1.361) 7.856 1.156 ( -4.496 1.356 2.782) 5.458 1.230 ( 0.145 1.050 2.072) 2.327 1.259 ( -3.321 0.695 0.471) 3.425 1.327 ( 5.716 1.257 -4.052) 7.118 1.367 ( -5.004 1.428 0.148) 5.206 1.479 ( -1.773 3.195 -3.482) 5.047 1.492 ( -0.489 4.285 1.650) 4.618 1.557 ( 0.855 -1.340 -0.271) 1.612 1.603 ( 1.549 2.977 -2.676) 4.293 1.630 ( -0.409 5.675 -0.717) 5.735 1.655 ( 0.844 -0.084 -2.875) 2.997 1.739 ( -0.898 1.435 3.319) 3.725 1.791 ( -1.149 0.614 2.692) 2.991 1.835 ( 0.197 2.199 0.528) 2.270 1.892 ( 1.303 1.907 -2.066) 3.099 1.921 ( -1.771 1.266 -1.290) 2.530 1.982 ( 1.335 -2.375 3.439) 4.387 2.054 ( -1.117 -2.606 -2.688) 3.907 2.114 ( -4.777 -1.860 -0.766) 5.183 2.116 ( 1.663 1.876 -1.855) 3.118 2.191 ( 1.385 0.931 -2.409) 2.931 2.294 ( 0.295 1.691 0.403) 1.763 2.324 ( 1.496 1.451 -2.297) 3.101 2.336 ( 3.359 0.177 3.511) 4.862 2.380 ( -0.179 -1.837 0.784) 2.006 2.423 ( 0.312 1.168 -0.446) 1.288 2.458 ( 0.318 -3.934 0.068) 3.947 2.486 ( -2.110 -1.141 -0.616) 2.477 2.554 ( 3.197 -0.811 -1.631) 3.679 2.610 ( -0.762 2.347 1.397) 2.836 2.625 ( -0.859 -0.898 4.440) 4.611 2.689 ( 1.006 -0.276 -0.575) 1.191 2.764 ( 1.107 0.612 2.395) 2.708 2.776 ( -0.296 -0.645 -2.093) 2.210 2.828 ( -0.196 -1.007 3.995) 4.125 2.877 ( 1.074 0.163 2.483) 2.711 2.950 ( 1.406 0.494 -0.572) 1.596 2.964 ( 6.053 2.347 2.075) 6.816 3.017 ( 3.050 -3.283 1.927) 4.878 3.068 ( -0.951 -0.785 1.304) 1.794 3.176 ( 1.248 2.391 -3.047) 4.069 3.229 ( -0.176 -0.775 0.374) 0.879 3.267 ( 0.133 -1.685 -1.898) 2.541 3.321 ( 8.389 -2.800 -3.066) 9.361 3.358 ( -6.916 -2.477 0.801) 7.390 3.607 ( -3.240 -2.801 -1.770) 4.634 3.829 ( 2.467 1.372 -0.233) 2.833 3.852 ( 4.775 2.965 -1.761) 5.890 4.102 ( 1.603 -2.283 2.608) 3.819 4.172 ( 3.049 -2.431 1.230) 4.089 4.198 ( -2.053 -0.056 1.222) 2.390 4.265 ( 3.928 1.856 0.264) 4.352 4.384 ( 1.866 1.913 -0.205) 2.680 4.445 ( -1.369 3.579 1.376) 4.072 4.506 ( -2.074 -1.426 -1.575) 2.969 4.585 ( 0.226 0.326 -0.603) 0.722 4.654 ( -6.296 -0.900 -3.148) 7.096 4.743 ( -14.621 -2.052 0.657) 14.779 5.276 ( -2.818 -4.803 5.543) 7.857 5.317 ( 2.189 -1.816 -5.615) 6.294 5.443 ( 1.777 -2.803 -3.007) 4.478 5.457 ( 2.134 -2.492 0.706) 3.356 5.522 ( -4.669 1.576 2.772) 5.654 5.684 ( -5.668 -5.722 0.873) 8.101 5.847 ( 4.123 -2.168 -2.906) 5.491 5.966 ( -2.588 -3.467 2.480) 4.986 6.250 ( -4.655 -3.585 6.910) 9.070 6.320 ( 2.623 -2.805 -2.119) 4.386 6.438 ( 8.569 -3.862 -2.702) 9.780 6.575 ( 9.452 -7.286 -6.802) 13.736 6.670 ( 5.266 -1.912 0.113) 5.604 6.962 ( -10.671 -7.008 0.370) 12.772 7.071 ( -12.032 2.514 6.209) 13.771 7.273 ( -8.147 -5.373 -1.815) 9.926 7.496 ( -0.791 0.435 1.572) 1.813 7.516 ( 2.793 -0.059 -3.832) 4.742 7.786 ( 2.518 5.535 3.611) 7.073 7.820 ( 4.374 7.862 -2.686) 9.389 8.688 ( -2.258 0.156 0.055) 2.264 8.729 ( -5.073 -1.362 0.128) 5.254 8.924 ( 11.967 1.255 -1.069) 12.080 9.188 ( 4.880 -3.066 1.981) 6.094 9.441 ( 2.940 6.007 0.626) 6.717 9.558 ( 3.195 7.941 0.468) 8.573 9.788 ( -4.945 2.335 -3.000) 6.238 9.924 ( -8.301 1.209 -0.435) 8.400 11.301 ( -2.434 0.928 1.158) 2.851 11.357 ( -2.862 0.659 -1.664) 3.376 12.518 ( 0.555 3.080 1.065) 3.306 12.564 ( 0.240 2.067 -0.788) 2.225 12.722 ( -2.411 0.512 1.396) 2.833 12.725 ( -0.431 -0.251 -1.458) 1.541 13.002 ( 0.033 0.336 -0.226) 0.406 13.010 ( -0.469 0.383 0.125) 0.618 13.462 ( 1.111 -0.970 2.430) 2.843 13.510 ( 1.888 -0.865 -2.275) 3.080 14.287 ( 1.686 -0.452 -0.043) 1.746 14.310 ( 0.840 -0.921 0.212) 1.264 14.768 ( 0.896 0.184 -4.407) 4.501 14.820 ( -6.372 -0.424 4.764) 7.967 15.224 ( 4.968 -4.631 0.498) 6.810 15.322 ( 0.434 -9.061 1.323) 9.167 15.462 ( 0.111 0.735 -0.583) 0.945 15.511 ( -1.409 -0.165 -0.741) 1.601 15.644 ( 3.891 -2.062 0.810) 4.477 15.659 ( 2.622 1.886 0.065) 3.230 16.002 ( 2.724 3.112 -0.054) 4.136 16.035 ( 3.933 1.008 -0.266) 4.069 16.280 ( -4.224 8.729 -5.808) 11.303 16.322 ( -5.132 0.112 1.617) 5.382 16.632 ( 5.066 -0.851 1.522) 5.357 16.816 ( -4.768 -0.973 2.254) 5.363 19.633 ( -0.045 0.051 1.729) 1.730 19.672 ( 0.206 -0.956 -1.687) 1.949 19.868 ( 0.432 -5.895 3.868) 7.064 19.940 ( 2.218 -9.333 -3.499) 10.211 ======================= Grid point 137 (62/70) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -7.277 2.824 -3.411) 8.519 0.796 ( 7.277 2.824 3.411) 8.519 1.035 ( -2.531 4.725 -2.738) 6.019 1.035 ( 2.531 4.725 2.738) 6.019 1.175 ( -3.544 4.831 0.722) 6.035 1.175 ( 3.544 4.831 -0.722) 6.035 1.284 ( -0.439 0.101 -3.135) 3.167 1.284 ( 0.439 0.101 3.135) 3.167 1.391 ( -4.285 0.100 -0.227) 4.292 1.391 ( 4.285 0.100 0.227) 4.292 1.539 ( -2.299 6.521 -2.111) 7.230 1.539 ( 2.299 6.521 2.111) 7.230 1.598 ( 0.066 1.901 -4.602) 4.980 1.598 ( -0.066 1.901 4.602) 4.980 1.728 ( -2.340 0.335 -1.787) 2.963 1.728 ( 2.340 0.335 1.787) 2.963 1.819 ( -2.017 -1.271 -2.000) 3.112 1.819 ( 2.017 -1.271 2.000) 3.112 1.884 ( -0.735 3.518 -0.612) 3.646 1.884 ( 0.735 3.518 0.612) 3.646 2.027 ( 1.969 -2.325 -3.184) 4.407 2.027 ( -1.969 -2.325 3.184) 4.407 2.085 ( -1.508 -1.206 -3.544) 4.036 2.085 ( 1.508 -1.206 3.544) 4.036 2.259 ( -4.454 1.264 -0.402) 4.647 2.259 ( 4.454 1.264 0.402) 4.647 2.322 ( -0.472 1.564 -1.067) 1.951 2.322 ( 0.472 1.564 1.067) 1.951 2.409 ( -1.453 0.343 -1.399) 2.046 2.409 ( 1.454 0.343 1.399) 2.046 2.471 ( 0.050 -3.253 -0.694) 3.327 2.471 ( -0.050 -3.253 0.694) 3.327 2.617 ( 3.760 -0.305 -2.438) 4.492 2.617 ( -3.760 -0.305 2.438) 4.492 2.656 ( -1.772 -0.246 -5.939) 6.203 2.656 ( 1.772 -0.246 5.939) 6.203 2.769 ( 0.813 0.953 -3.029) 3.278 2.769 ( -0.813 0.953 3.029) 3.278 2.866 ( -1.529 -1.729 -2.247) 3.221 2.866 ( 1.529 -1.729 2.247) 3.221 3.011 ( 1.754 -0.888 -5.422) 5.768 3.011 ( -1.754 -0.888 5.422) 5.768 3.075 ( 0.158 3.451 -4.134) 5.387 3.075 ( -0.158 3.451 4.134) 5.387 3.177 ( -0.049 -0.812 -3.760) 3.847 3.177 ( 0.049 -0.812 3.760) 3.847 3.276 ( -0.065 -2.838 -2.858) 4.029 3.276 ( 0.065 -2.838 2.858) 4.029 3.479 ( -4.498 -2.067 -3.420) 6.017 3.479 ( 4.498 -2.067 3.420) 6.017 3.867 ( -0.786 2.429 -1.227) 2.833 3.867 ( 0.786 2.429 1.227) 2.833 4.156 ( -1.787 -2.051 -1.770) 3.245 4.156 ( 1.787 -2.051 1.770) 3.245 4.276 ( -2.023 0.966 -4.731) 5.236 4.276 ( 2.023 0.966 4.731) 5.236 4.409 ( -1.304 1.882 -1.234) 2.601 4.409 ( 1.304 1.882 1.234) 2.601 4.525 ( -6.215 0.413 -0.716) 6.270 4.525 ( 6.215 0.413 0.716) 6.270 4.591 ( 1.707 -0.226 -1.185) 2.090 4.591 ( -1.707 -0.226 1.185) 2.090 5.299 ( 2.846 -4.108 -7.592) 9.090 5.299 ( -2.846 -4.108 7.592) 9.090 5.448 ( 3.638 -0.040 -3.866) 5.308 5.448 ( -3.638 -0.040 3.866) 5.308 5.578 ( -5.045 -4.143 -0.604) 6.557 5.578 ( 5.045 -4.143 0.604) 6.557 5.914 ( 5.757 -3.494 -5.573) 8.741 5.914 ( -5.757 -3.494 5.573) 8.741 6.260 ( 2.088 -5.228 -8.032) 9.808 6.260 ( -2.088 -5.228 8.032) 9.808 6.615 ( -5.491 -3.338 -1.902) 6.702 6.615 ( 5.491 -3.338 1.902) 6.702 6.783 ( -8.734 -3.044 0.213) 9.252 6.783 ( 8.734 -3.044 -0.213) 9.252 7.070 ( -8.394 -3.708 -3.875) 9.961 7.070 ( 8.394 -3.708 3.875) 9.961 7.515 ( 1.733 -0.268 -4.782) 5.094 7.515 ( -1.733 -0.268 4.782) 5.094 7.846 ( 1.432 7.041 -4.334) 8.391 7.846 ( -1.432 7.041 4.334) 8.391 8.669 ( 1.731 -1.006 -3.290) 3.851 8.669 ( -1.731 -1.006 3.290) 3.851 9.131 ( -7.260 -0.105 -0.953) 7.323 9.131 ( 7.260 -0.105 0.953) 7.323 9.532 ( -4.200 8.021 -2.533) 9.402 9.532 ( 4.200 8.021 2.533) 9.402 9.792 ( 0.694 0.326 -4.122) 4.193 9.792 ( -0.694 0.326 4.122) 4.193 11.303 ( -0.694 1.059 -1.827) 2.223 11.303 ( 0.694 1.059 1.827) 2.223 12.545 ( -0.997 3.330 -1.099) 3.645 12.545 ( 0.997 3.330 1.099) 3.645 12.711 ( 0.853 -0.239 -1.745) 1.957 12.711 ( -0.853 -0.239 1.745) 1.957 13.004 ( -0.079 0.389 -0.068) 0.403 13.004 ( 0.079 0.389 0.068) 0.403 13.501 ( 1.550 -1.308 -4.506) 4.941 13.501 ( -1.550 -1.308 4.506) 4.941 14.311 ( -0.287 -0.629 -0.443) 0.821 14.311 ( 0.287 -0.629 0.443) 0.821 14.770 ( 3.829 0.216 -3.682) 5.316 14.770 ( -3.829 0.216 3.682) 5.316 15.299 ( -2.690 -6.332 -0.974) 6.948 15.299 ( 2.690 -6.332 0.974) 6.948 15.478 ( -0.741 0.447 -1.216) 1.492 15.478 ( 0.741 0.447 1.216) 1.492 15.685 ( 1.434 -1.152 -2.691) 3.260 15.685 ( -1.434 -1.152 2.691) 3.260 16.052 ( 0.419 2.956 -2.633) 3.981 16.052 ( -0.419 2.956 2.633) 3.981 16.246 ( 2.327 3.890 -2.585) 5.218 16.246 ( -2.327 3.890 2.585) 5.218 16.732 ( -3.023 -1.040 -2.593) 4.116 16.732 ( 3.023 -1.040 2.593) 4.116 19.653 ( -0.223 -0.503 -1.832) 1.913 19.653 ( 0.223 -0.503 1.832) 1.913 19.916 ( 1.500 -7.983 -6.222) 10.232 19.916 ( -1.500 -7.983 6.222) 10.232 ======================= Grid point 141 (63/70) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -0.539 2.104 -4.018) 4.567 0.870 ( 0.539 2.104 4.018) 4.567 0.929 ( -1.222 3.387 -1.583) 3.934 0.929 ( 1.222 3.387 1.583) 3.934 1.196 ( 4.714 2.599 -4.117) 6.777 1.196 ( -4.714 2.599 4.117) 6.777 1.299 ( 0.116 2.091 -1.059) 2.347 1.299 ( -0.116 2.091 1.059) 2.347 1.461 ( 1.129 -0.329 -3.904) 4.077 1.461 ( -1.129 -0.329 3.904) 4.077 1.590 ( 4.224 -2.106 -4.731) 6.683 1.590 ( -4.224 -2.106 4.731) 6.683 1.650 ( -1.698 0.675 -1.138) 2.152 1.650 ( 1.698 0.675 1.138) 2.152 1.699 ( -3.539 -0.438 -5.473) 6.532 1.699 ( 3.539 -0.438 5.473) 6.532 1.851 ( -1.579 0.570 -3.462) 3.848 1.851 ( 1.579 0.570 3.462) 3.848 1.938 ( -0.093 3.730 -2.578) 4.536 1.938 ( 0.093 3.730 2.578) 4.536 2.065 ( -0.747 -2.513 -1.580) 3.061 2.065 ( 0.747 -2.513 1.580) 3.061 2.139 ( 0.153 -1.242 -3.973) 4.165 2.139 ( -0.153 -1.242 3.973) 4.165 2.208 ( -4.224 5.378 -1.751) 7.059 2.208 ( 4.224 5.378 1.751) 7.059 2.288 ( -0.046 -2.481 -1.255) 2.781 2.288 ( 0.046 -2.481 1.255) 2.781 2.400 ( -1.379 1.745 -0.545) 2.290 2.400 ( 1.379 1.745 0.545) 2.290 2.475 ( 0.343 0.163 -2.042) 2.077 2.475 ( -0.343 0.163 2.042) 2.077 2.544 ( -0.810 0.637 -2.491) 2.695 2.544 ( 0.810 0.637 2.491) 2.695 2.675 ( -2.353 0.360 -4.882) 5.432 2.675 ( 2.353 0.360 4.882) 5.432 2.723 ( -0.861 0.380 -3.902) 4.014 2.723 ( 0.861 0.380 3.902) 4.014 2.823 ( -3.788 -1.577 -3.320) 5.278 2.823 ( 3.788 -1.577 3.320) 5.278 2.893 ( -0.809 -2.098 -1.245) 2.570 2.893 ( 0.809 -2.098 1.245) 2.570 3.040 ( 3.040 4.613 -2.746) 6.169 3.040 ( -3.040 4.613 2.746) 6.169 3.126 ( -0.316 0.548 -2.915) 2.982 3.126 ( 0.316 0.548 2.915) 2.982 3.270 ( 0.658 2.433 -2.260) 3.386 3.270 ( -0.658 2.433 2.260) 3.386 3.584 ( -2.166 -2.611 -0.209) 3.398 3.584 ( 2.166 -2.611 0.209) 3.398 3.660 ( -2.787 -1.895 0.227) 3.378 3.660 ( 2.787 -1.895 -0.227) 3.378 4.018 ( 0.229 -3.093 -1.233) 3.338 4.018 ( -0.229 -3.093 1.233) 3.338 4.268 ( 1.520 0.918 -1.381) 2.249 4.268 ( -1.520 0.918 1.381) 2.249 4.415 ( -1.230 1.048 -3.596) 3.943 4.415 ( 1.230 1.048 3.596) 3.943 4.547 ( 0.853 0.154 -1.484) 1.718 4.547 ( -0.853 0.154 1.484) 1.718 4.831 ( -2.128 -3.936 -1.702) 4.787 4.831 ( 2.128 -3.936 1.702) 4.787 5.301 ( 4.000 -3.355 -1.644) 5.474 5.301 ( -4.000 -3.355 1.644) 5.474 5.405 ( -1.084 -2.665 -3.199) 4.302 5.405 ( 1.084 -2.665 3.199) 4.302 5.647 ( -4.883 -0.563 -0.562) 4.947 5.647 ( 4.883 -0.563 0.562) 4.947 5.754 ( -0.515 -6.177 -1.725) 6.434 5.754 ( 0.515 -6.177 1.725) 6.434 6.134 ( -1.586 1.768 -2.267) 3.284 6.134 ( 1.586 1.768 2.267) 3.284 6.535 ( 2.740 -0.290 -4.028) 4.880 6.535 ( -2.740 -0.290 4.028) 4.880 6.834 ( -1.640 -4.457 -2.552) 5.391 6.834 ( 1.640 -4.457 2.552) 5.391 7.301 ( -0.314 1.521 -1.270) 2.006 7.301 ( 0.314 1.521 1.270) 2.006 7.500 ( 1.912 -1.716 -2.063) 3.295 7.500 ( -1.912 -1.716 2.063) 3.295 7.847 ( -1.616 2.512 -0.446) 3.020 7.847 ( 1.616 2.512 0.446) 3.020 8.713 ( -0.248 -0.553 -4.541) 4.582 8.713 ( 0.248 -0.553 4.541) 4.582 8.861 ( 1.144 0.044 -2.166) 2.449 8.861 ( -1.144 0.044 2.166) 2.449 9.521 ( 0.076 5.502 -2.009) 5.858 9.521 ( -0.076 5.502 2.009) 5.858 10.075 ( -0.489 -0.618 -1.855) 2.015 10.075 ( 0.489 -0.618 1.855) 2.015 11.409 ( 0.316 -0.180 -0.877) 0.950 11.409 ( -0.316 -0.180 0.877) 0.950 12.555 ( 1.080 1.471 -0.978) 2.070 12.555 ( -1.080 1.471 0.978) 2.070 12.760 ( 0.894 -0.470 -2.117) 2.346 12.760 ( -0.894 -0.470 2.117) 2.346 13.018 ( 0.073 0.155 -0.548) 0.574 13.018 ( -0.073 0.155 0.548) 0.574 13.454 ( 1.987 0.384 -2.521) 3.233 13.454 ( -1.987 0.384 2.521) 3.233 14.252 ( -0.242 -0.233 -0.264) 0.427 14.252 ( 0.242 -0.233 0.264) 0.427 14.839 ( 1.635 -2.748 -5.189) 6.095 14.839 ( -1.635 -2.748 5.189) 6.095 15.035 ( -0.413 -2.772 -0.530) 2.852 15.035 ( 0.413 -2.772 0.530) 2.852 15.544 ( -1.517 1.573 -1.114) 2.453 15.544 ( 1.517 1.573 1.114) 2.453 15.584 ( -1.763 -0.143 -0.946) 2.006 15.584 ( 1.763 -0.143 0.946) 2.006 15.983 ( 1.332 0.935 -1.391) 2.141 15.983 ( -1.332 0.935 1.391) 2.141 16.451 ( -1.943 0.886 -0.863) 2.304 16.451 ( 1.943 0.886 0.863) 2.304 16.722 ( -1.618 1.008 -7.242) 7.489 16.722 ( 1.618 1.008 7.242) 7.489 19.655 ( 1.357 1.305 -1.532) 2.427 19.655 ( -1.357 1.305 1.532) 2.427 19.768 ( 1.784 -3.942 -3.607) 5.633 19.768 ( -1.784 -3.942 3.607) 5.633 ======================= Grid point 143 (64/70) ======================= q-point: ( 0.17 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( -1.809 4.362 -3.877) 6.110 0.887 ( -2.032 1.074 3.316) 4.035 0.960 ( 4.219 6.142 0.124) 7.452 1.015 ( 6.406 2.075 0.288) 6.740 1.148 ( -3.275 0.874 6.345) 7.193 1.257 ( 1.428 1.409 0.334) 2.034 1.313 ( 2.665 2.810 -1.364) 4.106 1.332 ( 3.729 3.520 -1.544) 5.355 1.401 ( -2.365 -3.239 -1.784) 4.389 1.489 ( -0.107 0.340 -1.579) 1.619 1.548 ( -5.722 1.339 0.578) 5.905 1.572 ( -0.593 -2.194 -2.157) 3.134 1.582 ( -1.469 -3.671 3.646) 5.378 1.650 ( 3.475 -3.023 -3.150) 5.580 1.702 ( 0.283 2.637 0.960) 2.820 1.758 ( 0.410 2.916 -0.320) 2.962 1.840 ( 0.866 -0.840 0.514) 1.312 1.881 ( -0.531 2.281 -2.152) 3.181 1.920 ( -1.766 1.931 -1.577) 3.055 1.962 ( 0.464 2.097 2.416) 3.233 2.025 ( -2.687 2.341 -0.741) 3.640 2.106 ( 0.273 -0.570 0.210) 0.666 2.117 ( 0.334 -2.180 -0.954) 2.403 2.154 ( 3.542 1.828 0.166) 3.989 2.202 ( 2.834 -1.228 3.350) 4.557 2.243 ( -4.237 -0.541 -2.214) 4.812 2.293 ( -1.816 1.578 -0.539) 2.465 2.325 ( 1.263 0.918 -0.054) 1.562 2.360 ( 2.681 3.351 4.054) 5.903 2.384 ( -0.782 -2.515 1.351) 2.960 2.475 ( 0.407 3.577 -0.347) 3.617 2.490 ( 3.290 0.601 -4.488) 5.597 2.558 ( -0.484 -1.654 -1.570) 2.331 2.570 ( 0.995 -0.764 1.773) 2.172 2.595 ( 0.341 -1.191 -1.778) 2.167 2.675 ( 0.815 1.536 0.147) 1.745 2.739 ( 0.208 -1.901 -1.334) 2.332 2.757 ( 0.073 2.147 0.693) 2.258 2.780 ( -0.454 -1.718 2.288) 2.897 2.883 ( -0.092 -0.619 0.865) 1.068 2.896 ( -1.607 -1.492 0.870) 2.359 2.928 ( 4.789 0.532 0.230) 4.824 3.017 ( -2.554 -0.869 3.214) 4.196 3.078 ( 2.980 6.323 0.901) 7.048 3.103 ( 0.909 -2.457 -1.517) 3.027 3.178 ( 0.546 3.464 3.084) 4.670 3.230 ( 0.192 -0.504 -1.012) 1.147 3.324 ( 3.877 3.068 -2.445) 5.515 3.458 ( -6.871 -0.946 -1.621) 7.122 3.561 ( -0.391 -4.949 -1.067) 5.078 3.755 ( 8.523 -0.517 -1.133) 8.613 3.786 ( 8.389 0.507 -1.149) 8.482 4.021 ( 0.045 -2.323 2.141) 3.159 4.047 ( 1.595 -4.220 1.397) 4.723 4.236 ( -2.120 1.235 0.616) 2.530 4.264 ( 0.076 0.555 -1.595) 1.690 4.397 ( 1.019 2.484 0.190) 2.692 4.486 ( 1.002 -0.460 3.538) 3.706 4.526 ( -1.422 2.310 2.066) 3.410 4.564 ( 0.543 -1.063 0.092) 1.197 4.737 ( -4.885 -3.270 -4.151) 7.196 4.831 ( -3.852 -4.310 -0.178) 5.783 5.230 ( -4.588 -2.371 2.167) 5.601 5.302 ( -0.773 -3.224 -2.450) 4.122 5.375 ( 0.299 -2.348 -2.713) 3.600 5.434 ( -1.637 -2.209 2.446) 3.680 5.575 ( -1.446 -1.149 -0.176) 1.856 5.634 ( -3.652 -4.493 1.432) 5.965 5.793 ( 3.301 -0.976 0.116) 3.445 5.869 ( 4.989 -4.543 0.461) 6.763 6.143 ( 6.823 1.032 -1.211) 7.007 6.209 ( 4.763 -0.658 0.265) 4.815 6.392 ( -10.336 -0.102 2.577) 10.653 6.492 ( -5.999 -4.595 -4.562) 8.827 6.694 ( -6.271 1.154 0.688) 6.413 6.893 ( -0.384 -8.665 -1.250) 8.763 7.248 ( -3.442 2.153 -0.925) 4.164 7.303 ( -0.563 -1.052 -3.146) 3.365 7.508 ( -0.393 0.671 2.683) 2.793 7.532 ( -1.868 -0.688 1.240) 2.345 7.822 ( 1.081 3.975 0.422) 4.141 7.866 ( 2.278 2.091 -0.509) 3.134 8.707 ( 0.363 1.272 1.561) 2.046 8.777 ( -2.725 -2.130 1.821) 3.908 8.852 ( 2.262 1.733 -0.828) 2.967 8.927 ( 9.822 -2.384 1.015) 10.158 9.525 ( 2.347 6.258 -0.702) 6.720 9.589 ( 5.232 4.421 0.351) 6.859 9.983 ( -6.803 1.196 -2.309) 7.283 10.047 ( -5.216 -1.534 -0.094) 5.438 11.365 ( -3.477 0.729 0.404) 3.576 11.403 ( -1.564 -0.896 -0.668) 1.923 12.555 ( 0.092 2.093 0.929) 2.292 12.573 ( 1.868 0.996 -0.827) 2.272 12.745 ( -0.435 -0.262 -1.608) 1.686 12.754 ( -2.023 -0.431 1.614) 2.624 13.012 ( -0.055 0.321 -0.447) 0.553 13.019 ( -0.377 0.086 0.500) 0.632 13.441 ( -0.934 0.822 1.513) 1.959 13.477 ( 2.081 -0.646 -1.508) 2.650 14.259 ( 1.182 0.067 -0.031) 1.185 14.270 ( 1.469 -0.457 0.220) 1.554 14.800 ( -0.346 -1.101 -3.967) 4.132 14.835 ( -4.186 -2.591 4.517) 6.681 15.073 ( 4.491 -2.347 -0.286) 5.075 15.095 ( 4.498 -4.820 1.212) 6.703 15.497 ( -1.859 0.674 -1.218) 2.322 15.518 ( -1.908 -0.938 -1.378) 2.534 15.613 ( 2.230 2.044 1.470) 3.364 15.640 ( 2.928 0.515 0.544) 3.023 15.991 ( 0.812 1.027 1.299) 1.844 16.006 ( 3.154 0.553 -1.857) 3.702 16.405 ( -2.544 2.751 0.590) 3.793 16.508 ( 2.563 -1.450 -0.160) 2.949 16.602 ( -3.594 6.187 -4.982) 8.719 16.784 ( -1.814 -3.227 4.720) 5.998 19.643 ( -1.114 1.435 1.235) 2.196 19.667 ( 0.963 0.700 -1.051) 1.588 19.755 ( -0.054 -3.780 -0.152) 3.783 19.789 ( 1.017 -4.863 0.007) 4.968 ======================= Grid point 144 (65/70) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 1.470 5.010 -0.425) 5.239 0.888 ( -1.612 -0.512 2.108) 2.702 1.047 ( 4.406 5.803 0.984) 7.352 1.124 ( 5.519 2.233 -1.991) 6.278 1.177 ( -1.025 0.531 5.812) 5.925 1.251 ( -2.033 1.215 0.583) 2.440 1.312 ( -0.527 3.821 -2.170) 4.426 1.378 ( 4.088 2.736 -5.282) 7.218 1.391 ( 0.708 0.193 0.247) 0.774 1.437 ( -1.306 -2.078 -1.033) 2.663 1.528 ( 0.428 1.075 3.980) 4.145 1.577 ( -1.100 -0.556 0.058) 1.234 1.584 ( 3.229 -2.897 -1.615) 4.629 1.670 ( -0.744 0.403 -0.025) 0.847 1.712 ( 1.592 2.111 0.688) 2.732 1.743 ( -1.052 0.031 1.163) 1.569 1.819 ( -2.403 0.991 -0.598) 2.667 1.855 ( -1.780 -0.784 -0.483) 2.004 1.899 ( -0.418 0.170 -2.186) 2.232 1.976 ( 0.198 3.681 0.944) 3.805 1.994 ( -3.330 -3.052 -3.025) 5.436 2.031 ( -0.282 5.344 -1.861) 5.666 2.113 ( -3.888 0.889 0.935) 4.097 2.126 ( 1.009 -1.280 0.365) 1.670 2.191 ( 0.008 -0.591 -1.129) 1.274 2.259 ( -1.541 -5.577 0.703) 5.828 2.330 ( 3.367 -1.015 -0.870) 3.623 2.356 ( 0.645 1.113 0.151) 1.295 2.407 ( -0.450 2.212 1.153) 2.534 2.429 ( 0.107 1.724 -0.341) 1.760 2.459 ( 3.512 7.356 -1.062) 8.220 2.489 ( -0.228 -0.852 -0.325) 0.940 2.548 ( 1.929 0.484 -1.204) 2.325 2.603 ( 2.110 -1.740 1.302) 3.029 2.644 ( 2.911 0.488 2.881) 4.125 2.698 ( -2.429 0.644 -0.501) 2.562 2.753 ( 3.019 -1.209 0.771) 3.342 2.774 ( 1.095 2.306 2.260) 3.409 2.803 ( 1.933 -3.148 0.473) 3.724 2.865 ( -2.008 -2.253 0.162) 3.022 2.884 ( -0.680 -1.302 2.213) 2.656 2.963 ( -0.479 0.660 -2.200) 2.346 3.038 ( 2.530 -1.862 1.491) 3.477 3.113 ( 1.325 -4.032 -1.015) 4.364 3.159 ( 0.944 1.830 5.072) 5.474 3.180 ( -0.208 3.982 1.568) 4.285 3.255 ( -0.340 -3.470 0.437) 3.514 3.352 ( 2.782 2.685 -2.454) 4.579 3.365 ( 0.995 5.262 -4.085) 6.735 3.548 ( -0.822 -3.519 -1.870) 4.069 3.844 ( 3.168 0.666 -0.780) 3.330 3.890 ( 4.212 0.331 -1.718) 4.561 4.064 ( 1.572 -1.765 3.443) 4.176 4.096 ( 3.184 -3.898 -0.063) 5.034 4.224 ( 0.160 1.799 1.642) 2.440 4.281 ( 2.503 -0.180 1.067) 2.727 4.431 ( 2.140 2.971 0.613) 3.712 4.479 ( -1.275 -0.149 -1.678) 2.113 4.531 ( -3.219 3.764 0.900) 5.034 4.577 ( 0.000 -0.841 1.226) 1.487 4.603 ( -3.632 -3.802 -4.448) 6.887 4.697 ( -11.209 -2.828 1.308) 11.634 5.206 ( -1.516 -1.670 3.553) 4.209 5.269 ( 0.204 -2.697 -3.608) 4.509 5.372 ( 2.700 -2.986 -1.708) 4.373 5.422 ( -0.717 -2.368 0.461) 2.516 5.555 ( -1.668 0.445 0.735) 1.876 5.593 ( -3.533 -2.709 1.988) 4.876 5.801 ( 1.196 -1.592 -3.457) 3.989 5.881 ( -4.046 -4.519 2.424) 6.532 6.210 ( -6.868 -0.350 4.124) 8.019 6.266 ( -4.444 -2.629 -2.518) 5.744 6.362 ( 12.736 -2.768 -2.321) 13.239 6.436 ( 12.105 -5.993 -3.871) 14.051 6.673 ( 2.292 1.618 0.421) 2.837 6.829 ( -5.919 -6.215 0.901) 8.629 7.118 ( -12.012 2.273 2.852) 12.553 7.205 ( -9.533 -2.345 -0.692) 9.841 7.490 ( -1.464 -0.476 1.135) 1.913 7.506 ( -0.238 -0.929 -1.497) 1.778 7.898 ( 5.284 5.100 1.050) 7.419 7.935 ( 5.659 3.741 -2.184) 7.126 8.675 ( -4.966 -0.588 2.467) 5.576 8.702 ( -5.613 -1.459 0.819) 5.857 8.980 ( 11.728 3.759 -1.206) 12.374 9.122 ( 8.470 -3.452 0.981) 9.199 9.569 ( 2.810 6.428 0.731) 7.053 9.687 ( 4.852 3.735 1.265) 6.252 9.826 ( -7.286 2.032 -3.665) 8.405 9.917 ( -8.455 -1.329 -0.518) 8.574 11.318 ( -2.103 0.868 0.552) 2.341 11.355 ( -2.706 -0.721 -0.770) 2.904 12.576 ( 1.208 2.545 0.841) 2.940 12.597 ( 1.657 1.246 -0.750) 2.205 12.719 ( -0.634 -0.248 -1.472) 1.621 12.727 ( -2.672 -0.129 1.436) 3.036 13.009 ( 0.133 0.409 -0.284) 0.515 13.016 ( -0.465 0.193 0.346) 0.611 13.452 ( 0.389 0.048 1.518) 1.568 13.488 ( 0.856 -1.334 -1.497) 2.180 14.285 ( 1.480 0.190 0.275) 1.517 14.297 ( 1.253 -0.378 0.005) 1.309 14.765 ( 0.273 -0.281 -2.669) 2.697 14.797 ( -4.294 -1.689 3.140) 5.582 15.152 ( 4.318 -2.665 -0.256) 5.080 15.176 ( 2.859 -5.030 1.051) 5.880 15.464 ( -0.818 -0.502 -0.601) 1.133 15.481 ( -1.076 -1.875 -0.930) 2.354 15.661 ( 1.911 1.964 0.923) 2.891 15.684 ( 1.820 0.835 -0.301) 2.025 16.032 ( 1.734 0.547 1.977) 2.686 16.049 ( 3.794 -0.007 -2.223) 4.398 16.372 ( -2.230 4.986 1.148) 5.581 16.449 ( -4.595 6.389 -2.526) 8.265 16.608 ( 4.095 -0.834 0.186) 4.183 16.758 ( -4.236 -4.465 1.365) 6.304 19.642 ( -0.475 1.003 1.332) 1.734 19.665 ( 0.097 0.287 -1.232) 1.269 19.764 ( 0.806 -4.346 0.493) 4.447 19.797 ( 0.224 -5.549 -0.631) 5.589 ======================= Grid point 145 (66/70) ======================= q-point: (-0.50 0.38 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -4.375 1.016 -2.000) 4.917 0.837 ( 4.375 1.016 2.000) 4.917 1.113 ( -2.716 3.506 0.231) 4.441 1.113 ( 2.716 3.506 -0.231) 4.441 1.225 ( 2.003 -0.157 -3.513) 4.047 1.225 ( -2.003 -0.157 3.513) 4.047 1.335 ( -1.754 5.058 -3.429) 6.357 1.335 ( 1.754 5.058 3.429) 6.357 1.406 ( -0.700 1.427 -2.185) 2.702 1.406 ( 0.700 1.427 2.185) 2.702 1.588 ( 1.152 0.654 -2.408) 2.749 1.588 ( -1.152 0.654 2.408) 2.749 1.633 ( -1.538 -0.030 -5.127) 5.353 1.633 ( 1.538 -0.030 5.127) 5.353 1.736 ( -2.453 0.292 -1.264) 2.774 1.736 ( 2.453 0.292 1.264) 2.774 1.802 ( -0.151 0.034 -1.209) 1.219 1.802 ( 0.151 0.034 1.209) 1.219 1.888 ( -1.479 -4.549 -2.152) 5.245 1.888 ( 1.479 -4.549 2.152) 5.245 2.027 ( -2.222 3.240 -1.263) 4.127 2.027 ( 2.222 3.240 1.263) 4.127 2.114 ( -1.563 3.284 -3.145) 4.808 2.114 ( 1.563 3.284 3.145) 4.808 2.217 ( -1.193 -3.865 -1.487) 4.310 2.217 ( 1.193 -3.865 1.487) 4.310 2.347 ( 0.595 -0.852 -1.596) 1.904 2.347 ( -0.595 -0.852 1.596) 1.904 2.396 ( 0.192 -0.819 -0.927) 1.252 2.396 ( -0.192 -0.819 0.927) 1.252 2.508 ( 0.234 6.419 -2.416) 6.863 2.508 ( -0.234 6.419 2.416) 6.863 2.600 ( -1.860 -1.682 -4.084) 4.793 2.600 ( 1.860 -1.682 4.084) 4.793 2.678 ( -1.378 2.095 0.418) 2.542 2.678 ( 1.378 2.095 -0.418) 2.542 2.790 ( -2.195 1.699 -1.207) 3.026 2.790 ( 2.195 1.699 1.207) 3.026 2.838 ( -2.100 -1.970 -1.789) 3.390 2.838 ( 2.100 -1.970 1.789) 3.390 2.920 ( -0.715 -4.089 -2.472) 4.832 2.920 ( 0.715 -4.089 2.472) 4.832 3.092 ( -2.077 -1.249 -0.845) 2.566 3.092 ( 2.077 -1.249 0.845) 2.566 3.191 ( -1.529 -5.087 -1.345) 5.479 3.191 ( 1.529 -5.087 1.345) 5.479 3.288 ( -1.647 7.553 -5.665) 9.584 3.288 ( 1.647 7.553 5.665) 9.584 3.466 ( -3.889 0.607 -2.699) 4.773 3.466 ( 3.889 0.607 2.699) 4.773 3.887 ( -1.921 -0.220 -0.713) 2.060 3.887 ( 1.921 -0.220 0.713) 2.060 4.115 ( -0.256 -1.976 -1.817) 2.697 4.115 ( 0.256 -1.976 1.817) 2.697 4.299 ( -2.930 1.456 -3.224) 4.594 4.299 ( 2.930 1.456 3.224) 4.594 4.436 ( -1.270 0.861 -0.811) 1.736 4.436 ( 1.270 0.861 0.811) 1.736 4.517 ( -3.881 -1.536 0.107) 4.175 4.517 ( 3.881 -1.536 -0.107) 4.175 4.587 ( 1.904 0.147 -2.167) 2.888 4.587 ( -1.904 0.147 2.167) 2.888 5.234 ( 0.331 -1.804 -4.371) 4.740 5.234 ( -0.331 -1.804 4.371) 4.740 5.410 ( -1.741 -3.676 0.192) 4.072 5.410 ( 1.741 -3.676 -0.192) 4.072 5.553 ( 0.770 1.097 -1.275) 1.850 5.553 ( -0.770 1.097 1.275) 1.850 5.822 ( 5.240 -5.223 -3.775) 8.307 5.822 ( -5.240 -5.223 3.775) 8.307 6.173 ( 1.325 -3.074 -4.856) 5.897 6.173 ( -1.325 -3.074 4.856) 5.897 6.554 ( -2.314 -2.311 -1.366) 3.544 6.554 ( 2.314 -2.311 1.366) 3.544 6.730 ( -5.094 -2.158 0.659) 5.571 6.730 ( 5.094 -2.158 -0.659) 5.571 7.034 ( -3.163 -0.531 -2.585) 4.119 7.034 ( 3.163 -0.531 2.585) 4.119 7.493 ( 1.050 -1.410 -2.780) 3.289 7.493 ( -1.050 -1.410 2.780) 3.289 7.968 ( 0.044 4.859 -2.114) 5.300 7.968 ( -0.044 4.859 2.114) 5.300 8.644 ( -0.407 -1.248 -0.627) 1.454 8.644 ( 0.407 -1.248 0.627) 1.454 9.148 ( -4.943 1.302 -0.144) 5.114 9.148 ( 4.943 1.302 0.144) 5.114 9.665 ( -5.122 4.548 -3.967) 7.916 9.665 ( 5.122 4.548 3.967) 7.916 9.787 ( -3.771 0.032 -2.539) 4.546 9.787 ( 3.771 0.032 2.539) 4.546 11.314 ( -0.777 0.143 -0.789) 1.116 11.314 ( 0.777 0.143 0.789) 1.116 12.602 ( -0.451 2.332 -0.789) 2.503 12.602 ( 0.451 2.332 0.789) 2.503 12.705 ( 0.989 -0.323 -1.273) 1.644 12.705 ( -0.989 -0.323 1.273) 1.644 13.011 ( 0.350 0.352 -0.231) 0.547 13.011 ( -0.350 0.352 0.231) 0.547 13.476 ( 0.544 -1.066 -2.532) 2.801 13.476 ( -0.544 -1.066 2.532) 2.801 14.305 ( -0.132 -0.029 -0.408) 0.429 14.305 ( 0.132 -0.029 0.408) 0.429 14.763 ( 2.402 -0.736 -2.317) 3.418 14.763 ( -2.402 -0.736 2.317) 3.418 15.198 ( -0.170 -3.600 -0.204) 3.610 15.198 ( 0.170 -3.600 0.204) 3.610 15.460 ( 0.237 -1.635 -1.122) 1.997 15.460 ( -0.237 -1.635 1.122) 1.997 15.691 ( -0.407 1.170 -0.699) 1.423 15.691 ( 0.407 1.170 0.699) 1.423 16.069 ( 0.670 -0.266 -2.503) 2.605 16.069 ( -0.670 -0.266 2.503) 2.605 16.372 ( -1.290 7.264 -1.626) 7.555 16.372 ( 1.290 7.264 1.626) 7.555 16.685 ( -4.179 -3.391 -0.510) 5.406 16.685 ( 4.179 -3.391 0.510) 5.406 19.652 ( 0.173 0.465 -1.510) 1.589 19.652 ( -0.173 0.465 1.510) 1.589 19.785 ( 1.730 -5.203 -3.710) 6.621 19.785 ( -1.730 -5.203 3.710) 6.621 ======================= Grid point 149 (67/70) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.000 0.000 -0.000) 0.000 0.876 ( -0.000 0.000 0.000) 0.000 0.972 ( -0.000 0.000 -0.000) 0.000 0.972 ( -0.000 0.000 0.000) 0.000 1.247 ( -0.000 0.000 0.000) 0.000 1.247 ( -0.000 0.000 0.000) 0.000 1.295 ( -0.000 0.000 0.000) 0.000 1.295 ( -0.000 0.000 0.000) 0.000 1.506 ( -0.000 -0.000 0.000) 0.000 1.506 ( -0.000 0.000 0.000) 0.000 1.509 ( 0.000 -0.000 -0.000) 0.000 1.509 ( 0.000 0.000 -0.000) 0.000 1.664 ( -0.000 0.000 -0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.701 ( -0.000 0.000 -0.000) 0.000 1.701 ( -0.000 0.000 0.000) 0.000 1.858 ( -0.000 -0.000 0.000) 0.000 1.858 ( -0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 2.067 ( 0.000 0.000 -0.000) 0.000 2.067 ( 0.000 0.000 0.000) 0.000 2.092 ( -0.000 -0.000 -0.000) 0.000 2.092 ( -0.000 -0.000 0.000) 0.000 2.258 ( -0.000 -0.000 0.000) 0.000 2.258 ( 0.000 0.000 -0.000) 0.000 2.259 ( -0.000 0.000 0.000) 0.000 2.259 ( 0.000 0.000 -0.000) 0.000 2.447 ( -0.000 -0.000 0.000) 0.000 2.447 ( 0.000 -0.000 0.000) 0.000 2.456 ( -0.000 0.000 -0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.558 ( -0.000 0.000 -0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.684 ( -0.000 0.000 -0.000) 0.000 2.684 ( 0.000 0.000 0.000) 0.000 2.742 ( -0.000 0.000 0.000) 0.000 2.742 ( -0.000 0.000 0.000) 0.000 2.794 ( -0.000 0.000 -0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 -0.000) 0.000 2.853 ( -0.000 0.000 0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.092 ( -0.000 0.000 0.000) 0.000 3.123 ( -0.000 0.000 -0.000) 0.000 3.123 ( 0.000 0.000 -0.000) 0.000 3.348 ( -0.000 0.000 0.000) 0.000 3.348 ( -0.000 0.000 0.000) 0.000 3.522 ( -0.000 0.000 0.000) 0.000 3.522 ( 0.000 0.000 0.000) 0.000 3.642 ( -0.000 0.000 0.000) 0.000 3.642 ( -0.000 0.000 0.000) 0.000 3.982 ( -0.000 0.000 0.000) 0.000 3.982 ( -0.000 0.000 0.000) 0.000 4.276 ( -0.000 0.000 0.000) 0.000 4.276 ( -0.000 0.000 0.000) 0.000 4.422 ( -0.000 0.000 0.000) 0.000 4.422 ( -0.000 0.000 0.000) 0.000 4.556 ( -0.000 0.000 0.000) 0.000 4.556 ( -0.000 0.000 0.000) 0.000 4.791 ( -0.000 0.000 0.000) 0.000 4.791 ( -0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 -0.000) 0.000 5.269 ( -0.000 0.000 0.000) 0.000 5.368 ( 0.000 -0.000 -0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.686 ( -0.000 0.000 0.000) 0.000 5.686 ( -0.000 0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 6.153 ( -0.000 0.000 0.000) 0.000 6.534 ( -0.000 0.000 -0.000) 0.000 6.534 ( -0.000 0.000 0.000) 0.000 6.783 ( -0.000 0.000 0.000) 0.000 6.783 ( 0.000 0.000 0.000) 0.000 7.317 ( -0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.484 ( -0.000 0.000 0.000) 0.000 7.484 ( -0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 -0.000) 0.000 7.874 ( -0.000 0.000 0.000) 0.000 8.707 ( -0.000 0.000 0.000) 0.000 8.707 ( 0.000 0.000 0.000) 0.000 8.862 ( -0.000 0.000 0.000) 0.000 8.862 ( 0.000 0.000 0.000) 0.000 9.580 ( 0.000 0.000 0.000) 0.000 9.580 ( -0.000 0.000 0.000) 0.000 10.066 ( -0.000 0.000 0.000) 0.000 10.066 ( 0.000 0.000 0.000) 0.000 11.407 ( -0.000 0.000 0.000) 0.000 11.407 ( -0.000 0.000 0.000) 0.000 12.571 ( -0.000 0.000 0.000) 0.000 12.571 ( -0.000 0.000 0.000) 0.000 12.755 ( -0.000 0.000 0.000) 0.000 12.755 ( -0.000 0.000 0.000) 0.000 13.020 ( -0.000 0.000 0.000) 0.000 13.020 ( -0.000 0.000 0.000) 0.000 13.458 ( 0.000 0.000 0.000) 0.000 13.458 ( -0.000 0.000 0.000) 0.000 14.250 ( -0.000 0.000 0.000) 0.000 14.250 ( 0.000 0.000 0.000) 0.000 14.810 ( 0.000 0.000 0.000) 0.000 14.810 ( -0.000 0.000 0.000) 0.000 15.009 ( 0.000 0.000 0.000) 0.000 15.009 ( -0.000 0.000 0.000) 0.000 15.560 ( -0.000 0.000 -0.000) 0.000 15.560 ( 0.000 0.000 0.000) 0.000 15.582 ( -0.000 0.000 -0.000) 0.000 15.582 ( 0.000 0.000 0.000) 0.000 15.991 ( 0.000 0.000 0.000) 0.000 15.991 ( -0.000 0.000 0.000) 0.000 16.463 ( -0.000 0.000 -0.000) 0.000 16.463 ( 0.000 0.000 0.000) 0.000 16.730 ( -0.000 0.000 0.000) 0.000 16.730 ( -0.000 0.000 0.000) 0.000 19.687 ( -0.000 0.000 0.000) 0.000 19.687 ( -0.000 -0.000 0.000) 0.000 19.710 ( -0.000 0.000 -0.000) 0.000 19.710 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 153 (68/70) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -0.901 -2.494 -0.651) 2.730 0.859 ( -0.901 2.494 -0.651) 2.730 1.040 ( 5.746 -1.498 1.430) 6.107 1.040 ( 5.746 1.498 1.430) 6.107 1.212 ( -2.032 -5.962 0.078) 6.299 1.212 ( -2.032 5.962 0.078) 6.299 1.333 ( 2.668 -1.491 0.333) 3.074 1.333 ( 2.668 1.491 0.333) 3.074 1.461 ( 0.210 -5.988 -3.908) 7.154 1.461 ( 0.210 5.988 -3.908) 7.154 1.533 ( -4.367 -2.145 4.573) 6.678 1.533 ( -4.367 2.145 4.573) 6.678 1.590 ( 0.260 -2.621 -2.295) 3.493 1.590 ( 0.260 2.621 -2.295) 3.493 1.742 ( 0.514 -2.910 1.090) 3.149 1.742 ( 0.514 2.910 1.090) 3.149 1.879 ( 1.293 -3.072 -2.201) 3.994 1.879 ( 1.293 3.072 -2.201) 3.994 1.995 ( -0.358 -3.610 -0.958) 3.752 1.995 ( -0.358 3.610 -0.958) 3.752 2.039 ( -1.261 -4.673 0.022) 4.840 2.039 ( -1.261 4.673 0.022) 4.840 2.124 ( 3.321 -2.229 2.655) 4.800 2.124 ( 3.321 2.229 2.655) 4.800 2.209 ( -2.845 -1.742 -1.288) 3.576 2.209 ( -2.845 1.742 -1.288) 3.576 2.329 ( -0.984 -1.518 0.628) 1.915 2.329 ( -0.984 1.518 0.628) 1.915 2.379 ( 1.305 -1.580 2.434) 3.182 2.379 ( 1.305 1.580 2.434) 3.182 2.505 ( 2.650 -1.683 -1.634) 3.539 2.505 ( 2.650 1.683 -1.634) 3.539 2.556 ( 0.592 -2.018 0.259) 2.119 2.556 ( 0.592 2.018 0.259) 2.119 2.651 ( -0.044 -4.968 -3.626) 6.151 2.651 ( -0.044 4.968 -3.626) 6.151 2.729 ( -0.435 -2.457 0.510) 2.547 2.729 ( -0.435 2.457 0.510) 2.547 2.837 ( -1.621 -3.402 2.550) 4.551 2.837 ( -1.621 3.402 2.550) 4.551 2.894 ( 4.279 -2.929 2.175) 5.623 2.894 ( 4.279 2.929 2.175) 5.623 3.035 ( -1.522 -2.515 -2.665) 3.967 3.035 ( -1.522 2.515 -2.665) 3.967 3.165 ( 0.580 -4.216 1.569) 4.536 3.165 ( 0.580 4.216 1.569) 4.536 3.359 ( 0.490 -6.534 -0.557) 6.576 3.359 ( 0.490 6.534 -0.557) 6.576 3.448 ( -2.119 -5.174 -0.687) 5.633 3.448 ( -2.119 5.174 -0.687) 5.633 3.770 ( 9.853 -1.757 -1.646) 10.143 3.770 ( 9.853 1.757 -1.646) 10.143 3.995 ( 0.427 -0.465 2.210) 2.298 3.995 ( 0.427 0.465 2.210) 2.298 4.259 ( -1.069 -0.940 -0.406) 1.480 4.259 ( -1.069 0.940 -0.406) 1.480 4.451 ( 1.533 -2.713 1.860) 3.629 4.451 ( 1.533 2.713 1.860) 3.629 4.551 ( -0.894 -0.997 0.949) 1.641 4.551 ( -0.894 0.997 0.949) 1.641 4.748 ( -4.055 -3.800 -1.830) 5.851 4.748 ( -4.055 3.800 -1.830) 5.851 5.236 ( -2.477 -2.669 0.208) 3.647 5.236 ( -2.477 2.669 0.208) 3.647 5.377 ( 0.033 -2.480 -0.427) 2.516 5.377 ( 0.033 2.480 -0.427) 2.516 5.575 ( -2.261 -1.501 -0.154) 2.719 5.575 ( -2.261 1.501 -0.154) 2.719 5.805 ( 5.087 -2.016 0.925) 5.550 5.805 ( 5.087 2.016 0.925) 5.550 6.179 ( 5.378 -2.173 -1.210) 5.925 6.179 ( 5.378 2.173 -1.210) 5.925 6.419 ( -11.292 -2.791 -0.223) 11.634 6.419 ( -11.292 2.791 -0.223) 11.634 6.755 ( -2.206 -5.270 -0.147) 5.714 6.755 ( -2.206 5.270 -0.147) 5.714 7.280 ( -2.085 -1.347 -2.670) 3.646 7.280 ( -2.085 1.347 -2.670) 3.646 7.521 ( -1.015 -0.577 2.254) 2.539 7.521 ( -1.015 0.577 2.254) 2.539 7.876 ( 2.391 -1.227 -0.082) 2.688 7.876 ( 2.391 1.227 -0.082) 2.688 8.736 ( -1.856 -1.861 2.882) 3.900 8.736 ( -1.856 1.861 2.882) 3.900 8.888 ( 6.347 -1.823 -0.850) 6.658 8.888 ( 6.347 1.823 -0.850) 6.658 9.613 ( 3.582 -2.100 -0.270) 4.161 9.613 ( 3.582 2.100 -0.270) 4.161 10.010 ( -5.518 -1.826 -1.111) 5.918 10.010 ( -5.518 1.826 -1.111) 5.918 11.383 ( -2.496 -1.063 -0.034) 2.714 11.383 ( -2.496 1.063 -0.034) 2.714 12.580 ( 1.131 -0.398 -0.053) 1.200 12.580 ( 1.131 0.398 -0.053) 1.200 12.745 ( -1.120 -0.350 0.041) 1.174 12.745 ( -1.120 0.350 0.041) 1.174 13.018 ( -0.186 -0.199 0.066) 0.281 13.018 ( -0.186 0.199 0.066) 0.281 13.460 ( 0.228 -1.012 -0.011) 1.037 13.460 ( 0.228 1.012 -0.011) 1.037 14.264 ( 1.378 -0.316 0.079) 1.416 14.264 ( 1.378 0.316 0.079) 1.416 14.797 ( -1.590 -0.973 0.322) 1.892 14.797 ( -1.590 0.973 0.322) 1.892 15.050 ( 4.116 -0.294 0.232) 4.133 15.050 ( 4.116 0.294 0.232) 4.133 15.505 ( -2.698 -0.384 -1.168) 2.965 15.505 ( -2.698 0.384 -1.168) 2.965 15.639 ( 2.932 -0.625 1.073) 3.184 15.639 ( 2.932 0.625 1.073) 3.184 16.005 ( 1.829 -0.466 -0.374) 1.924 16.005 ( 1.829 0.466 -0.374) 1.924 16.465 ( 0.302 -2.898 -0.109) 2.916 16.465 ( 0.302 2.898 -0.109) 2.916 16.706 ( -2.621 -4.661 0.149) 5.349 16.706 ( -2.621 4.661 0.149) 5.349 19.678 ( -0.781 -1.492 0.110) 1.688 19.678 ( -0.781 1.492 0.110) 1.688 19.717 ( 0.632 -1.798 -0.137) 1.911 19.717 ( 0.632 1.798 -0.137) 1.911 ======================= Grid point 155 (69/70) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -0.389 -3.510 0.016) 3.532 0.843 ( -0.389 3.510 0.016) 3.532 1.145 ( 2.816 -1.484 1.956) 3.736 1.145 ( 2.816 1.484 1.956) 3.736 1.198 ( 0.483 -4.396 -0.875) 4.508 1.198 ( 0.483 4.396 -0.875) 4.508 1.381 ( 3.127 -2.298 -0.571) 3.923 1.381 ( 3.127 2.298 -0.571) 3.923 1.426 ( 0.090 -2.102 -2.287) 3.108 1.426 ( 0.090 2.102 -2.287) 3.108 1.534 ( 0.699 -1.420 2.381) 2.859 1.534 ( 0.699 1.420 2.381) 2.859 1.609 ( 2.399 -4.279 1.432) 5.110 1.609 ( 2.399 4.279 1.432) 5.110 1.739 ( -2.731 -0.972 2.482) 3.816 1.739 ( -2.731 0.972 2.482) 3.816 1.853 ( -1.173 -3.120 -4.275) 5.421 1.853 ( -1.173 3.120 -4.275) 5.421 1.916 ( -4.251 -3.669 -3.672) 6.710 1.916 ( -4.251 3.669 -3.672) 6.710 2.063 ( -0.542 -4.153 0.526) 4.222 2.063 ( -0.542 4.153 0.526) 4.222 2.102 ( 0.144 -1.799 0.793) 1.971 2.102 ( 0.144 1.799 0.793) 1.971 2.195 ( -0.064 -0.668 0.152) 0.688 2.195 ( -0.064 0.668 0.152) 0.688 2.354 ( 0.899 -2.415 1.291) 2.882 2.354 ( 0.899 2.415 1.291) 2.882 2.414 ( -0.710 -2.588 -3.450) 4.371 2.414 ( -0.710 2.588 -3.450) 4.371 2.516 ( 0.304 -4.128 2.519) 4.845 2.516 ( 0.304 4.128 2.519) 4.845 2.601 ( 4.546 -1.470 -0.389) 4.794 2.601 ( 4.546 1.470 -0.389) 4.794 2.661 ( 2.173 -5.571 0.418) 5.995 2.661 ( 2.173 5.571 0.418) 5.995 2.736 ( 0.905 -2.434 1.709) 3.109 2.736 ( 0.905 2.434 1.709) 3.109 2.842 ( -0.554 -1.162 2.129) 2.488 2.842 ( -0.554 1.162 2.129) 2.488 2.922 ( -1.991 -4.789 -0.442) 5.206 2.922 ( -1.991 4.789 -0.442) 5.206 3.038 ( 3.940 -2.718 -1.713) 5.083 3.038 ( 3.940 2.718 -1.713) 5.083 3.152 ( -3.495 -3.052 1.765) 4.964 3.152 ( -3.495 3.052 1.765) 4.964 3.360 ( 0.981 -4.937 0.166) 5.036 3.360 ( 0.981 4.937 0.166) 5.036 3.458 ( 3.089 -5.443 -2.161) 6.622 3.458 ( 3.089 5.443 -2.161) 6.622 3.868 ( 2.892 -1.815 -1.237) 3.631 3.868 ( 2.892 1.815 -1.237) 3.631 4.048 ( 3.071 -0.803 1.880) 3.689 4.048 ( 3.071 0.803 1.880) 3.689 4.260 ( 1.477 -1.766 1.299) 2.644 4.260 ( 1.477 1.766 1.299) 2.644 4.481 ( 0.458 -0.908 -0.044) 1.018 4.481 ( 0.458 0.908 -0.044) 1.018 4.545 ( -0.778 -0.751 -1.974) 2.251 4.545 ( -0.778 0.751 -1.974) 2.251 4.627 ( -7.690 -4.157 1.163) 8.819 4.627 ( -7.690 4.157 1.163) 8.819 5.218 ( -0.180 -2.379 0.825) 2.525 5.218 ( -0.180 2.379 0.825) 2.525 5.363 ( -0.110 -2.372 -1.076) 2.607 5.363 ( -0.110 2.372 -1.076) 2.607 5.563 ( 0.281 -1.222 0.261) 1.281 5.563 ( 0.281 1.222 0.261) 1.281 5.811 ( -3.637 -2.426 -0.109) 4.373 5.811 ( -3.637 2.426 -0.109) 4.373 6.225 ( -8.673 -1.550 -0.494) 8.824 6.225 ( -8.673 1.550 -0.494) 8.824 6.355 ( 14.850 -2.088 -1.631) 15.085 6.355 ( 14.850 2.088 -1.631) 15.085 6.729 ( -1.368 -4.060 0.705) 4.342 6.729 ( -1.368 4.060 0.705) 4.342 7.162 ( -10.752 -2.252 0.729) 11.009 7.162 ( -10.752 2.252 0.729) 11.009 7.490 ( -1.849 -0.516 0.175) 1.928 7.490 ( -1.849 0.516 0.175) 1.928 7.961 ( 6.297 -1.068 -1.030) 6.469 7.961 ( 6.297 1.068 -1.030) 6.469 8.678 ( -5.891 -0.829 2.271) 6.368 8.678 ( -5.891 0.829 2.271) 6.368 9.054 ( 10.882 -3.667 -0.465) 11.493 9.054 ( 10.882 3.667 -0.465) 11.493 9.675 ( 2.512 -3.951 0.981) 4.783 9.675 ( 2.512 3.951 0.981) 4.783 9.879 ( -6.847 -2.720 -1.993) 7.632 9.879 ( -6.847 2.720 -1.993) 7.632 11.336 ( -2.398 -1.041 -0.024) 2.615 11.336 ( -2.398 1.041 -0.024) 2.615 12.606 ( 1.812 -0.490 -0.097) 1.880 12.606 ( 1.812 0.490 -0.097) 1.880 12.720 ( -1.695 -0.364 0.082) 1.736 12.720 ( -1.695 0.364 0.082) 1.736 13.016 ( -0.133 -0.194 0.079) 0.248 13.016 ( -0.133 0.194 0.079) 0.248 13.464 ( 0.171 -1.055 -0.017) 1.069 13.464 ( 0.171 1.055 -0.017) 1.069 14.291 ( 1.430 -0.330 0.145) 1.474 14.291 ( 1.430 0.330 0.145) 1.474 14.769 ( -1.676 -0.872 0.200) 1.900 14.769 ( -1.676 0.872 0.200) 1.900 15.127 ( 3.791 -0.373 0.269) 3.819 15.127 ( 3.791 0.373 0.269) 3.819 15.458 ( -1.557 -0.315 -0.705) 1.738 15.458 ( -1.557 0.315 -0.705) 1.738 15.688 ( 1.801 -0.564 0.394) 1.928 15.688 ( 1.801 0.564 0.394) 1.928 16.041 ( 2.330 -0.513 -0.140) 2.390 16.041 ( 2.330 0.513 -0.140) 2.390 16.466 ( -0.327 -3.668 0.189) 3.687 16.466 ( -0.327 3.668 0.189) 3.687 16.658 ( -2.418 -5.250 -0.164) 5.782 16.658 ( -2.418 5.250 -0.164) 5.782 19.668 ( -0.504 -0.996 0.086) 1.119 19.668 ( -0.504 0.996 0.086) 1.119 19.725 ( 0.350 -1.309 -0.125) 1.361 19.725 ( 0.350 1.309 -0.125) 1.361 ======================= Grid point 157 (70/70) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-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 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 0.000 0.000 0.000) 0.000 0.843 ( 0.000 0.000 0.000) 0.000 1.164 ( 0.000 0.000 -0.000) 0.000 1.164 ( 0.000 0.000 0.000) 0.000 1.204 ( 0.000 0.000 -0.000) 0.000 1.204 ( 0.000 0.000 0.000) 0.000 1.412 ( 0.000 0.000 -0.000) 0.000 1.412 ( -0.000 0.000 -0.000) 0.000 1.417 ( 0.000 0.000 0.000) 0.000 1.417 ( -0.000 -0.000 0.000) 0.000 1.580 ( 0.000 0.000 -0.000) 0.000 1.580 ( 0.000 -0.000 -0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 -0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 -0.000) 0.000 1.795 ( 0.000 0.000 -0.000) 0.000 1.834 ( 0.000 -0.000 -0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 2.063 ( 0.000 0.000 -0.000) 0.000 2.063 ( 0.000 0.000 -0.000) 0.000 2.142 ( -0.000 0.000 -0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.186 ( -0.000 0.000 -0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 -0.000 -0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 -0.000) 0.000 2.374 ( 0.000 -0.000 0.000) 0.000 2.539 ( 0.000 -0.000 -0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 -0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 -0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 -0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 -0.000 -0.000) 0.000 2.865 ( 0.000 0.000 -0.000) 0.000 2.871 ( 0.000 -0.000 0.000) 0.000 2.871 ( -0.000 0.000 0.000) 0.000 3.080 ( -0.000 0.000 0.000) 0.000 3.080 ( -0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 -0.000) 0.000 3.114 ( 0.000 0.000 -0.000) 0.000 3.377 ( 0.000 0.000 -0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 -0.000) 0.000 3.477 ( 0.000 0.000 -0.000) 0.000 3.879 ( 0.000 0.000 -0.000) 0.000 3.879 ( 0.000 0.000 -0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 -0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 -0.000 -0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 -0.000) 0.000 4.489 ( 0.000 0.000 -0.000) 0.000 4.592 ( 0.000 0.000 0.000) 0.000 4.592 ( 0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 -0.000) 0.000 5.226 ( 0.000 0.000 -0.000) 0.000 5.358 ( 0.000 0.000 -0.000) 0.000 5.358 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 -0.000 -0.000) 0.000 5.574 ( 0.000 0.000 -0.000) 0.000 5.759 ( 0.000 0.000 0.000) 0.000 5.759 ( 0.000 0.000 0.000) 0.000 6.144 ( 0.000 0.000 -0.000) 0.000 6.144 ( 0.000 0.000 -0.000) 0.000 6.532 ( 0.000 0.000 -0.000) 0.000 6.532 ( 0.000 0.000 0.000) 0.000 6.708 ( 0.000 0.000 -0.000) 0.000 6.708 ( 0.000 0.000 -0.000) 0.000 7.031 ( 0.000 0.000 -0.000) 0.000 7.031 ( 0.000 0.000 -0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 7.477 ( 0.000 0.000 0.000) 0.000 8.018 ( 0.000 0.000 -0.000) 0.000 8.018 ( 0.000 0.000 0.000) 0.000 8.630 ( 0.000 0.000 -0.000) 0.000 8.630 ( 0.000 0.000 -0.000) 0.000 9.163 ( 0.000 0.000 0.000) 0.000 9.163 ( 0.000 0.000 0.000) 0.000 9.701 ( 0.000 0.000 -0.000) 0.000 9.701 ( 0.000 0.000 0.000) 0.000 9.797 ( -0.000 0.000 -0.000) 0.000 9.797 ( 0.000 0.000 0.000) 0.000 11.314 ( 0.000 0.000 -0.000) 0.000 11.314 ( 0.000 0.000 -0.000) 0.000 12.627 ( 0.000 0.000 -0.000) 0.000 12.627 ( 0.000 0.000 0.000) 0.000 12.701 ( 0.000 0.000 -0.000) 0.000 12.701 ( 0.000 0.000 -0.000) 0.000 13.015 ( 0.000 0.000 -0.000) 0.000 13.015 ( 0.000 0.000 -0.000) 0.000 13.465 ( 0.000 0.000 -0.000) 0.000 13.465 ( 0.000 0.000 -0.000) 0.000 14.306 ( 0.000 0.000 -0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 14.754 ( 0.000 0.000 -0.000) 0.000 14.754 ( 0.000 0.000 -0.000) 0.000 15.164 ( 0.000 0.000 -0.000) 0.000 15.164 ( 0.000 0.000 0.000) 0.000 15.441 ( 0.000 0.000 0.000) 0.000 15.441 ( 0.000 0.000 0.000) 0.000 15.706 ( 0.000 0.000 -0.000) 0.000 15.706 ( 0.000 0.000 -0.000) 0.000 16.064 ( 0.000 0.000 -0.000) 0.000 16.064 ( 0.000 0.000 0.000) 0.000 16.462 ( 0.000 0.000 -0.000) 0.000 16.462 ( 0.000 0.000 -0.000) 0.000 16.635 ( -0.000 0.000 -0.000) 0.000 16.635 ( 0.000 0.000 -0.000) 0.000 19.664 ( 0.000 0.000 -0.000) 0.000 19.664 ( 0.000 0.000 0.000) 0.000 19.727 ( 0.000 0.000 -0.000) 0.000 19.727 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/23040 10.0 24.961 18.640 23.319 0.000 -2.999 0.000 3/23040 20.0 5.323 4.403 5.368 0.000 -0.644 0.000 3/23040 30.0 2.624 2.282 2.732 0.000 -0.291 0.000 3/23040 40.0 1.727 1.542 1.818 0.000 -0.180 0.000 3/23040 50.0 1.301 1.171 1.366 0.000 -0.133 0.000 3/23040 60.0 1.057 0.949 1.098 0.000 -0.110 0.000 3/23040 70.0 0.902 0.802 0.923 0.000 -0.097 0.000 3/23040 80.0 0.795 0.697 0.799 0.000 -0.088 0.000 3/23040 90.0 0.715 0.618 0.706 0.000 -0.082 0.000 3/23040 100.0 0.654 0.557 0.635 0.000 -0.078 0.000 3/23040 110.0 0.605 0.508 0.578 0.000 -0.074 0.000 3/23040 120.0 0.563 0.468 0.531 0.000 -0.071 0.000 3/23040 130.0 0.528 0.434 0.492 0.000 -0.068 0.000 3/23040 140.0 0.498 0.405 0.459 0.000 -0.065 0.000 3/23040 150.0 0.471 0.380 0.430 0.000 -0.062 0.000 3/23040 160.0 0.447 0.358 0.405 0.000 -0.060 0.000 3/23040 170.0 0.426 0.339 0.383 0.000 -0.057 0.000 3/23040 180.0 0.406 0.322 0.363 0.000 -0.055 0.000 3/23040 190.0 0.389 0.307 0.346 0.000 -0.053 0.000 3/23040 200.0 0.373 0.293 0.330 0.000 -0.051 0.000 3/23040 210.0 0.358 0.281 0.315 0.000 -0.049 0.000 3/23040 220.0 0.344 0.269 0.302 0.000 -0.048 0.000 3/23040 230.0 0.332 0.259 0.290 0.000 -0.046 0.000 3/23040 240.0 0.320 0.249 0.279 0.000 -0.044 0.000 3/23040 250.0 0.309 0.240 0.269 0.000 -0.043 0.000 3/23040 260.0 0.299 0.232 0.260 0.000 -0.042 0.000 3/23040 270.0 0.289 0.225 0.251 0.000 -0.040 0.000 3/23040 280.0 0.280 0.217 0.243 0.000 -0.039 0.000 3/23040 290.0 0.272 0.211 0.235 0.000 -0.038 0.000 3/23040 300.0 0.264 0.204 0.228 0.000 -0.037 0.000 3/23040 310.0 0.256 0.198 0.221 0.000 -0.036 0.000 3/23040 320.0 0.249 0.193 0.215 0.000 -0.035 0.000 3/23040 330.0 0.242 0.188 0.209 0.000 -0.034 0.000 3/23040 340.0 0.236 0.183 0.203 0.000 -0.033 0.000 3/23040 350.0 0.230 0.178 0.198 0.000 -0.032 0.000 3/23040 360.0 0.224 0.174 0.193 0.000 -0.032 0.000 3/23040 370.0 0.219 0.169 0.188 0.000 -0.031 0.000 3/23040 380.0 0.213 0.165 0.184 0.000 -0.030 0.000 3/23040 390.0 0.209 0.161 0.179 0.000 -0.030 0.000 3/23040 400.0 0.204 0.158 0.175 0.000 -0.029 0.000 3/23040 410.0 0.199 0.154 0.171 0.000 -0.028 0.000 3/23040 420.0 0.195 0.151 0.167 0.000 -0.028 0.000 3/23040 430.0 0.191 0.148 0.164 0.000 -0.027 0.000 3/23040 440.0 0.187 0.145 0.160 0.000 -0.027 0.000 3/23040 450.0 0.183 0.142 0.157 0.000 -0.026 0.000 3/23040 460.0 0.179 0.139 0.154 0.000 -0.026 0.000 3/23040 470.0 0.176 0.136 0.151 0.000 -0.025 0.000 3/23040 480.0 0.172 0.134 0.148 0.000 -0.025 0.000 3/23040 490.0 0.169 0.131 0.145 0.000 -0.024 0.000 3/23040 500.0 0.166 0.129 0.142 0.000 -0.024 0.000 3/23040 510.0 0.163 0.126 0.140 0.000 -0.023 0.000 3/23040 520.0 0.160 0.124 0.137 0.000 -0.023 0.000 3/23040 530.0 0.157 0.122 0.135 0.000 -0.023 0.000 3/23040 540.0 0.154 0.120 0.133 0.000 -0.022 0.000 3/23040 550.0 0.152 0.118 0.130 0.000 -0.022 0.000 3/23040 560.0 0.149 0.116 0.128 0.000 -0.021 0.000 3/23040 570.0 0.147 0.114 0.126 0.000 -0.021 0.000 3/23040 580.0 0.144 0.112 0.124 0.000 -0.021 0.000 3/23040 590.0 0.142 0.110 0.122 0.000 -0.020 0.000 3/23040 600.0 0.140 0.109 0.120 0.000 -0.020 0.000 3/23040 610.0 0.138 0.107 0.118 0.000 -0.020 0.000 3/23040 620.0 0.136 0.105 0.116 0.000 -0.020 0.000 3/23040 630.0 0.133 0.104 0.115 0.000 -0.019 0.000 3/23040 640.0 0.132 0.102 0.113 0.000 -0.019 0.000 3/23040 650.0 0.130 0.101 0.111 0.000 -0.019 0.000 3/23040 660.0 0.128 0.099 0.110 0.000 -0.018 0.000 3/23040 670.0 0.126 0.098 0.108 0.000 -0.018 0.000 3/23040 680.0 0.124 0.097 0.107 0.000 -0.018 0.000 3/23040 690.0 0.122 0.095 0.105 0.000 -0.018 0.000 3/23040 700.0 0.121 0.094 0.104 0.000 -0.017 0.000 3/23040 710.0 0.119 0.093 0.102 0.000 -0.017 0.000 3/23040 720.0 0.118 0.091 0.101 0.000 -0.017 0.000 3/23040 730.0 0.116 0.090 0.100 0.000 -0.017 0.000 3/23040 740.0 0.115 0.089 0.098 0.000 -0.017 0.000 3/23040 750.0 0.113 0.088 0.097 0.000 -0.016 0.000 3/23040 760.0 0.112 0.087 0.096 0.000 -0.016 0.000 3/23040 770.0 0.110 0.086 0.095 0.000 -0.016 0.000 3/23040 780.0 0.109 0.085 0.094 0.000 -0.016 0.000 3/23040 790.0 0.108 0.084 0.092 0.000 -0.016 0.000 3/23040 800.0 0.106 0.083 0.091 0.000 -0.015 0.000 3/23040 810.0 0.105 0.082 0.090 0.000 -0.015 0.000 3/23040 820.0 0.104 0.081 0.089 0.000 -0.015 0.000 3/23040 830.0 0.103 0.080 0.088 0.000 -0.015 0.000 3/23040 840.0 0.101 0.079 0.087 0.000 -0.015 0.000 3/23040 850.0 0.100 0.078 0.086 0.000 -0.015 0.000 3/23040 860.0 0.099 0.077 0.085 0.000 -0.014 0.000 3/23040 870.0 0.098 0.076 0.084 0.000 -0.014 0.000 3/23040 880.0 0.097 0.076 0.083 0.000 -0.014 0.000 3/23040 890.0 0.096 0.075 0.082 0.000 -0.014 0.000 3/23040 900.0 0.095 0.074 0.082 0.000 -0.014 0.000 3/23040 910.0 0.094 0.073 0.081 0.000 -0.014 0.000 3/23040 920.0 0.093 0.073 0.080 0.000 -0.014 0.000 3/23040 930.0 0.092 0.072 0.079 0.000 -0.013 0.000 3/23040 940.0 0.091 0.071 0.078 0.000 -0.013 0.000 3/23040 950.0 0.090 0.070 0.077 0.000 -0.013 0.000 3/23040 960.0 0.089 0.070 0.077 0.000 -0.013 0.000 3/23040 970.0 0.088 0.069 0.076 0.000 -0.013 0.000 3/23040 980.0 0.087 0.068 0.075 0.000 -0.013 0.000 3/23040 990.0 0.087 0.068 0.074 0.000 -0.013 0.000 3/23040 1000.0 0.086 0.067 0.074 0.000 -0.013 0.000 3/23040 Thermal conductivity related properties were written into "kappa-m684.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:50:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|