----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:53:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.838080140029295 0.000000000000000 0.000000000000000 b 0.000000000000000 8.871124000000000 0.000000000000000 c -5.181885682309830 0.000000000000000 9.157609607765124 Atomic positions (fractional): *1 O 0.06629352470279 0.66323386071200 0.57529145154800 15.999 2 O 0.93370647529721 0.16323386071200 0.92470854845200 15.999 3 O 0.93370647529721 0.33676613928800 0.42470854845200 15.999 4 O 0.06629352470279 0.83676613928800 0.07529145154800 15.999 *5 O 0.15934040926161 0.64066532600864 0.35793287872646 15.999 6 O 0.84065959073839 0.14066532600864 0.14206712127354 15.999 7 O 0.84065959073839 0.35933467399136 0.64206712127354 15.999 8 O 0.15934040926161 0.85933467399136 0.85793287872646 15.999 *9 O 0.02642865079331 0.89756397333101 0.40129123703354 15.999 10 O 0.97357134920669 0.39756397333101 0.09870876296646 15.999 11 O 0.97357134920669 0.10243602666899 0.59870876296646 15.999 12 O 0.02642865079331 0.60243602666899 0.90129123703354 15.999 *13 O 0.78928748880317 0.65209548913934 0.29675824778679 15.999 14 O 0.21071251119683 0.15209548913934 0.20324175221321 15.999 15 O 0.21071251119683 0.34790451086066 0.70324175221321 15.999 16 O 0.78928748880317 0.84790451086066 0.79675824778679 15.999 *17 O 0.44834565880918 0.60037976909611 0.08782338024524 15.999 18 O 0.55165434119082 0.10037976909611 0.41217661975476 15.999 19 O 0.55165434119082 0.39962023090389 0.91217661975476 15.999 20 O 0.44834565880918 0.89962023090389 0.58782338024524 15.999 *21 O 0.57838565044991 0.60062212568523 0.64246861793779 15.999 22 O 0.42161434955009 0.10062212568523 0.85753138206221 15.999 23 O 0.42161434955009 0.39937787431477 0.35753138206221 15.999 24 O 0.57838565044991 0.89937787431477 0.14246861793779 15.999 *25 O 0.49076907696701 0.76095309579510 0.82277139037759 15.999 26 O 0.50923092303299 0.26095309579510 0.67722860962241 15.999 27 O 0.50923092303299 0.23904690420490 0.17722860962241 15.999 28 O 0.49076907696701 0.73904690420490 0.32277139037759 15.999 *29 Si 0.01653730628835 0.71516492690399 0.41113105820646 28.085 30 Si 0.98346269371165 0.21516492690399 0.08886894179354 28.085 31 Si 0.98346269371165 0.28483507309601 0.58886894179354 28.085 32 Si 0.01653730628835 0.78483507309601 0.91113105820646 28.085 *33 Si 0.56586196666973 0.73390721778194 0.20346839294179 28.085 34 Si 0.43413803333027 0.23390721778194 0.29653160705821 28.085 35 Si 0.43413803333027 0.26609278221806 0.79653160705821 28.085 36 Si 0.56586196666973 0.76609278221806 0.70346839294179 28.085 *37 Ca 0.71565917293826 0.40694889862214 0.15898765320753 40.078 38 Ca 0.28434082706174 0.90694889862214 0.34101234679247 40.078 39 Ca 0.28434082706174 0.59305110137786 0.84101234679246 40.078 40 Ca 0.71565917293826 0.09305110137786 0.65898765320754 40.078 *41 Ca 0.79106271992139 0.07499162869742 0.33140381956097 40.078 42 Ca 0.20893728007861 0.57499162869742 0.16859618043903 40.078 43 Ca 0.20893728007861 0.92500837130258 0.66859618043903 40.078 44 Ca 0.79106271992139 0.42500837130258 0.83140381956097 40.078 *45 Ca 0.70935308071410 0.55924469728009 0.49106342330845 40.078 46 Ca 0.29064691928590 0.05924469728009 0.00893657669155 40.078 47 Ca 0.29064691928590 0.44075530271991 0.50893657669155 40.078 48 Ca 0.70935308071410 0.94075530271991 0.99106342330845 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.838080140029295 0.000000000000000 0.000000000000000 b 0.000000000000000 8.871124000000000 0.000000000000000 c -5.181885682309830 0.000000000000000 9.157609607765124 Atomic positions (fractional): *1 O 0.06629352470279 0.66323386071200 0.57529145154800 15.999 > 1 2 O 0.93370647529721 0.16323386071200 0.92470854845200 15.999 > 2 3 O 0.93370647529721 0.33676613928800 0.42470854845200 15.999 > 3 4 O 0.06629352470279 0.83676613928800 0.07529145154800 15.999 > 4 *5 O 0.15934040926161 0.64066532600864 0.35793287872646 15.999 > 5 6 O 0.84065959073839 0.14066532600864 0.14206712127354 15.999 > 6 7 O 0.84065959073839 0.35933467399136 0.64206712127354 15.999 > 7 8 O 0.15934040926161 0.85933467399136 0.85793287872646 15.999 > 8 *9 O 0.02642865079331 0.89756397333101 0.40129123703354 15.999 > 9 10 O 0.97357134920669 0.39756397333101 0.09870876296646 15.999 > 10 11 O 0.97357134920669 0.10243602666899 0.59870876296646 15.999 > 11 12 O 0.02642865079331 0.60243602666899 0.90129123703354 15.999 > 12 *13 O 0.78928748880317 0.65209548913934 0.29675824778679 15.999 > 13 14 O 0.21071251119683 0.15209548913934 0.20324175221321 15.999 > 14 15 O 0.21071251119683 0.34790451086066 0.70324175221321 15.999 > 15 16 O 0.78928748880317 0.84790451086066 0.79675824778679 15.999 > 16 *17 O 0.44834565880918 0.60037976909611 0.08782338024524 15.999 > 17 18 O 0.55165434119082 0.10037976909611 0.41217661975476 15.999 > 18 19 O 0.55165434119082 0.39962023090389 0.91217661975476 15.999 > 19 20 O 0.44834565880918 0.89962023090389 0.58782338024524 15.999 > 20 *21 O 0.57838565044991 0.60062212568523 0.64246861793779 15.999 > 21 22 O 0.42161434955009 0.10062212568523 0.85753138206221 15.999 > 22 23 O 0.42161434955009 0.39937787431477 0.35753138206221 15.999 > 23 24 O 0.57838565044991 0.89937787431477 0.14246861793779 15.999 > 24 *25 O 0.49076907696701 0.76095309579510 0.82277139037759 15.999 > 25 26 O 0.50923092303299 0.26095309579510 0.67722860962241 15.999 > 26 27 O 0.50923092303299 0.23904690420490 0.17722860962241 15.999 > 27 28 O 0.49076907696701 0.73904690420490 0.32277139037759 15.999 > 28 *29 Si 0.01653730628835 0.71516492690399 0.41113105820646 28.085 > 29 30 Si 0.98346269371165 0.21516492690399 0.08886894179354 28.085 > 30 31 Si 0.98346269371165 0.28483507309601 0.58886894179354 28.085 > 31 32 Si 0.01653730628835 0.78483507309601 0.91113105820646 28.085 > 32 *33 Si 0.56586196666973 0.73390721778194 0.20346839294179 28.085 > 33 34 Si 0.43413803333027 0.23390721778194 0.29653160705821 28.085 > 34 35 Si 0.43413803333027 0.26609278221806 0.79653160705821 28.085 > 35 36 Si 0.56586196666973 0.76609278221806 0.70346839294179 28.085 > 36 *37 Ca 0.71565917293826 0.40694889862214 0.15898765320753 40.078 > 37 38 Ca 0.28434082706174 0.90694889862214 0.34101234679247 40.078 > 38 39 Ca 0.28434082706174 0.59305110137786 0.84101234679246 40.078 > 39 40 Ca 0.71565917293826 0.09305110137786 0.65898765320754 40.078 > 40 *41 Ca 0.79106271992139 0.07499162869742 0.33140381956097 40.078 > 41 42 Ca 0.20893728007861 0.57499162869742 0.16859618043903 40.078 > 42 43 Ca 0.20893728007861 0.92500837130258 0.66859618043903 40.078 > 43 44 Ca 0.79106271992139 0.42500837130258 0.83140381956097 40.078 > 44 *45 Ca 0.70935308071410 0.55924469728009 0.49106342330845 40.078 > 45 46 Ca 0.29064691928590 0.05924469728009 0.00893657669155 40.078 > 46 47 Ca 0.29064691928590 0.44075530271991 0.50893657669155 40.078 > 47 48 Ca 0.70935308071410 0.94075530271991 0.99106342330845 40.078 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.676160280058591 0.000000000000000 0.000000000000000 b 0.000000000000000 8.871124000000000 0.000000000000000 c -5.181885682309830 0.000000000000000 9.157609607765124 Atomic positions (fractional): *1 O 0.03314676235140 0.66323386071200 0.57529145154800 15.999 > 1 2 O 0.53314676235140 0.66323386071200 0.57529145154800 15.999 > 1 3 O 0.46685323764860 0.16323386071200 0.92470854845200 15.999 > 2 4 O 0.96685323764860 0.16323386071200 0.92470854845200 15.999 > 2 5 O 0.46685323764860 0.33676613928800 0.42470854845200 15.999 > 3 6 O 0.96685323764860 0.33676613928800 0.42470854845200 15.999 > 3 7 O 0.03314676235140 0.83676613928800 0.07529145154800 15.999 > 4 8 O 0.53314676235140 0.83676613928800 0.07529145154800 15.999 > 4 *9 O 0.07967020463081 0.64066532600864 0.35793287872646 15.999 > 5 10 O 0.57967020463081 0.64066532600864 0.35793287872646 15.999 > 5 11 O 0.42032979536919 0.14066532600864 0.14206712127354 15.999 > 6 12 O 0.92032979536919 0.14066532600864 0.14206712127354 15.999 > 6 13 O 0.42032979536919 0.35933467399136 0.64206712127354 15.999 > 7 14 O 0.92032979536919 0.35933467399136 0.64206712127354 15.999 > 7 15 O 0.07967020463081 0.85933467399136 0.85793287872646 15.999 > 8 16 O 0.57967020463081 0.85933467399136 0.85793287872646 15.999 > 8 *17 O 0.01321432539665 0.89756397333101 0.40129123703354 15.999 > 9 18 O 0.51321432539665 0.89756397333101 0.40129123703354 15.999 > 9 19 O 0.48678567460335 0.39756397333101 0.09870876296646 15.999 > 10 20 O 0.98678567460335 0.39756397333101 0.09870876296646 15.999 > 10 21 O 0.48678567460335 0.10243602666899 0.59870876296646 15.999 > 11 22 O 0.98678567460335 0.10243602666899 0.59870876296646 15.999 > 11 23 O 0.01321432539665 0.60243602666899 0.90129123703354 15.999 > 12 24 O 0.51321432539665 0.60243602666899 0.90129123703354 15.999 > 12 *25 O 0.39464374440159 0.65209548913934 0.29675824778679 15.999 > 13 26 O 0.89464374440159 0.65209548913934 0.29675824778679 15.999 > 13 27 O 0.10535625559841 0.15209548913934 0.20324175221321 15.999 > 14 28 O 0.60535625559841 0.15209548913934 0.20324175221321 15.999 > 14 29 O 0.10535625559841 0.34790451086066 0.70324175221321 15.999 > 15 30 O 0.60535625559841 0.34790451086066 0.70324175221321 15.999 > 15 31 O 0.39464374440159 0.84790451086066 0.79675824778679 15.999 > 16 32 O 0.89464374440159 0.84790451086066 0.79675824778679 15.999 > 16 *33 O 0.22417282940459 0.60037976909611 0.08782338024524 15.999 > 17 34 O 0.72417282940459 0.60037976909611 0.08782338024524 15.999 > 17 35 O 0.27582717059541 0.10037976909611 0.41217661975476 15.999 > 18 36 O 0.77582717059541 0.10037976909611 0.41217661975476 15.999 > 18 37 O 0.27582717059541 0.39962023090389 0.91217661975476 15.999 > 19 38 O 0.77582717059541 0.39962023090389 0.91217661975476 15.999 > 19 39 O 0.22417282940459 0.89962023090389 0.58782338024524 15.999 > 20 40 O 0.72417282940459 0.89962023090389 0.58782338024524 15.999 > 20 *41 O 0.28919282522495 0.60062212568523 0.64246861793779 15.999 > 21 42 O 0.78919282522495 0.60062212568523 0.64246861793779 15.999 > 21 43 O 0.21080717477505 0.10062212568523 0.85753138206221 15.999 > 22 44 O 0.71080717477505 0.10062212568523 0.85753138206221 15.999 > 22 45 O 0.21080717477505 0.39937787431477 0.35753138206221 15.999 > 23 46 O 0.71080717477505 0.39937787431477 0.35753138206221 15.999 > 23 47 O 0.28919282522495 0.89937787431477 0.14246861793779 15.999 > 24 48 O 0.78919282522495 0.89937787431477 0.14246861793779 15.999 > 24 *49 O 0.24538453848351 0.76095309579510 0.82277139037759 15.999 > 25 50 O 0.74538453848351 0.76095309579510 0.82277139037759 15.999 > 25 51 O 0.25461546151649 0.26095309579510 0.67722860962241 15.999 > 26 52 O 0.75461546151649 0.26095309579510 0.67722860962241 15.999 > 26 53 O 0.25461546151649 0.23904690420490 0.17722860962241 15.999 > 27 54 O 0.75461546151649 0.23904690420490 0.17722860962241 15.999 > 27 55 O 0.24538453848351 0.73904690420490 0.32277139037759 15.999 > 28 56 O 0.74538453848351 0.73904690420490 0.32277139037759 15.999 > 28 *57 Si 0.00826865314417 0.71516492690399 0.41113105820646 28.085 > 29 58 Si 0.50826865314417 0.71516492690399 0.41113105820646 28.085 > 29 59 Si 0.49173134685583 0.21516492690399 0.08886894179354 28.085 > 30 60 Si 0.99173134685583 0.21516492690399 0.08886894179354 28.085 > 30 61 Si 0.49173134685583 0.28483507309601 0.58886894179354 28.085 > 31 62 Si 0.99173134685583 0.28483507309601 0.58886894179354 28.085 > 31 63 Si 0.00826865314417 0.78483507309601 0.91113105820646 28.085 > 32 64 Si 0.50826865314417 0.78483507309601 0.91113105820646 28.085 > 32 *65 Si 0.28293098333487 0.73390721778194 0.20346839294179 28.085 > 33 66 Si 0.78293098333487 0.73390721778194 0.20346839294179 28.085 > 33 67 Si 0.21706901666513 0.23390721778194 0.29653160705821 28.085 > 34 68 Si 0.71706901666513 0.23390721778194 0.29653160705821 28.085 > 34 69 Si 0.21706901666513 0.26609278221806 0.79653160705821 28.085 > 35 70 Si 0.71706901666513 0.26609278221806 0.79653160705821 28.085 > 35 71 Si 0.28293098333487 0.76609278221806 0.70346839294179 28.085 > 36 72 Si 0.78293098333487 0.76609278221806 0.70346839294179 28.085 > 36 *73 Ca 0.35782958646913 0.40694889862214 0.15898765320753 40.078 > 37 74 Ca 0.85782958646913 0.40694889862214 0.15898765320753 40.078 > 37 75 Ca 0.14217041353087 0.90694889862214 0.34101234679247 40.078 > 38 76 Ca 0.64217041353087 0.90694889862214 0.34101234679247 40.078 > 38 77 Ca 0.14217041353087 0.59305110137786 0.84101234679246 40.078 > 39 78 Ca 0.64217041353087 0.59305110137786 0.84101234679246 40.078 > 39 79 Ca 0.35782958646913 0.09305110137786 0.65898765320754 40.078 > 40 80 Ca 0.85782958646913 0.09305110137786 0.65898765320754 40.078 > 40 *81 Ca 0.39553135996069 0.07499162869742 0.33140381956097 40.078 > 41 82 Ca 0.89553135996069 0.07499162869742 0.33140381956097 40.078 > 41 83 Ca 0.10446864003931 0.57499162869742 0.16859618043903 40.078 > 42 84 Ca 0.60446864003931 0.57499162869742 0.16859618043903 40.078 > 42 85 Ca 0.10446864003931 0.92500837130258 0.66859618043903 40.078 > 43 86 Ca 0.60446864003931 0.92500837130258 0.66859618043903 40.078 > 43 87 Ca 0.39553135996069 0.42500837130258 0.83140381956097 40.078 > 44 88 Ca 0.89553135996069 0.42500837130258 0.83140381956097 40.078 > 44 *89 Ca 0.35467654035705 0.55924469728009 0.49106342330845 40.078 > 45 90 Ca 0.85467654035705 0.55924469728009 0.49106342330845 40.078 > 45 91 Ca 0.14532345964295 0.05924469728009 0.00893657669155 40.078 > 46 92 Ca 0.64532345964295 0.05924469728009 0.00893657669155 40.078 > 46 93 Ca 0.14532345964295 0.44075530271991 0.50893657669155 40.078 > 47 94 Ca 0.64532345964295 0.44075530271991 0.50893657669155 40.078 > 47 95 Ca 0.35467654035705 0.94075530271991 0.99106342330845 40.078 > 48 96 Ca 0.85467654035705 0.94075530271991 0.99106342330845 40.078 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0301121 0.0000000 0.0015829 0.0000000 2.9959794 0.0000000 0.0015812 0.0000000 2.9993917 -------------------------- Born effective charges -------------------------- 1 O -1.6008995 -0.1487517 0.0291469 -0.2019733 -1.6539782 0.0784720 0.0771294 0.1349870 -2.2199269 2 O -1.6008995 0.1487517 0.0291469 0.2019733 -1.6539782 -0.0784720 0.0771294 -0.1349870 -2.2199269 3 O -1.6008995 -0.1487517 0.0291469 -0.2019733 -1.6539782 0.0784720 0.0771294 0.1349870 -2.2199269 4 O -1.6008995 0.1487517 0.0291469 0.2019733 -1.6539782 -0.0784720 0.0771294 -0.1349870 -2.2199269 5 O -2.0579293 0.3017916 0.4444710 0.3181841 -1.8510508 0.0010899 0.4059314 0.0766209 -1.7168444 6 O -2.0579293 -0.3017916 0.4444710 -0.3181841 -1.8510508 -0.0010899 0.4059314 -0.0766209 -1.7168444 7 O -2.0579293 0.3017916 0.4444710 0.3181841 -1.8510508 0.0010899 0.4059314 0.0766209 -1.7168444 8 O -2.0579293 -0.3017916 0.4444710 -0.3181841 -1.8510508 -0.0010899 0.4059314 -0.0766209 -1.7168444 9 O -1.7318358 0.1637865 -0.0537305 0.2203759 -2.2155386 0.1332056 -0.0834956 0.1296279 -1.5690582 10 O -1.7318358 -0.1637865 -0.0537305 -0.2203759 -2.2155386 -0.1332056 -0.0834956 -0.1296279 -1.5690582 11 O -1.7318358 0.1637865 -0.0537305 0.2203759 -2.2155386 0.1332056 -0.0834956 0.1296279 -1.5690582 12 O -1.7318358 -0.1637865 -0.0537305 -0.2203759 -2.2155386 -0.1332056 -0.0834956 -0.1296279 -1.5690582 13 O -2.2560269 0.0081259 -0.8430633 0.0131835 -1.5027570 0.0092381 -0.7900183 0.0030355 -1.8785497 14 O -2.2560269 -0.0081259 -0.8430633 -0.0131835 -1.5027570 -0.0092381 -0.7900183 -0.0030355 -1.8785497 15 O -2.2560269 0.0081259 -0.8430633 0.0131835 -1.5027570 0.0092381 -0.7900183 0.0030355 -1.8785497 16 O -2.2560269 -0.0081259 -0.8430633 -0.0131835 -1.5027570 -0.0092381 -0.7900183 -0.0030355 -1.8785497 17 O -1.6588756 0.0414525 -0.0708637 0.0514334 -1.7303739 -0.2248018 -0.0655921 -0.3303642 -2.0847123 18 O -1.6588756 -0.0414525 -0.0708637 -0.0514334 -1.7303739 0.2248018 -0.0655921 0.3303642 -2.0847123 19 O -1.6588756 0.0414525 -0.0708637 0.0514334 -1.7303739 -0.2248018 -0.0655921 -0.3303642 -2.0847123 20 O -1.6588756 -0.0414525 -0.0708637 -0.0514334 -1.7303739 0.2248018 -0.0655921 0.3303642 -2.0847123 21 O -1.6672857 0.1980272 0.0994119 0.2762259 -2.1568691 -0.2846491 0.1008561 -0.3085729 -1.6655692 22 O -1.6672857 -0.1980272 0.0994119 -0.2762259 -2.1568691 0.2846491 0.1008561 0.3085729 -1.6655692 23 O -1.6672857 0.1980272 0.0994119 0.2762259 -2.1568691 -0.2846491 0.1008561 -0.3085729 -1.6655692 24 O -1.6672857 -0.1980272 0.0994119 -0.2762259 -2.1568691 0.2846491 0.1008561 0.3085729 -1.6655692 25 O -2.0750702 -0.1796166 0.2489493 -0.1559438 -1.6466507 -0.0730923 0.2067037 -0.0822141 -1.7955595 26 O -2.0750702 0.1796166 0.2489493 0.1559438 -1.6466507 0.0730923 0.2067037 0.0822141 -1.7955595 27 O -2.0750702 -0.1796166 0.2489493 -0.1559438 -1.6466507 -0.0730923 0.2067037 -0.0822141 -1.7955595 28 O -2.0750702 0.1796166 0.2489493 0.1559438 -1.6466507 0.0730923 0.2067037 0.0822141 -1.7955595 29 Si 3.0233743 0.1445078 0.2218264 0.0259130 2.7942772 0.0032859 0.1081153 -0.0098882 2.7768250 30 Si 3.0233743 -0.1445078 0.2218264 -0.0259130 2.7942772 -0.0032859 0.1081153 0.0098882 2.7768250 31 Si 3.0233743 0.1445078 0.2218264 0.0259130 2.7942772 0.0032859 0.1081153 -0.0098882 2.7768250 32 Si 3.0233743 -0.1445078 0.2218264 -0.0259130 2.7942772 -0.0032859 0.1081153 0.0098882 2.7768250 33 Si 2.8377994 0.0594056 0.1028814 0.2017064 2.9675091 -0.1535593 0.2254986 -0.1764953 2.7987724 34 Si 2.8377994 -0.0594056 0.1028814 -0.2017064 2.9675091 0.1535593 0.2254986 0.1764953 2.7987724 35 Si 2.8377994 0.0594056 0.1028814 0.2017064 2.9675091 -0.1535593 0.2254986 -0.1764953 2.7987724 36 Si 2.8377994 -0.0594056 0.1028814 -0.2017064 2.9675091 0.1535593 0.2254986 0.1764953 2.7987724 37 Ca 2.3992361 -0.1137493 -0.1107513 -0.1628955 2.3363484 0.0869249 -0.1389574 0.0495671 2.5505303 38 Ca 2.3992361 0.1137493 -0.1107513 0.1628955 2.3363484 -0.0869249 -0.1389574 -0.0495671 2.5505303 39 Ca 2.3992361 -0.1137493 -0.1107513 -0.1628955 2.3363484 0.0869249 -0.1389574 0.0495671 2.5505303 40 Ca 2.3992361 0.1137493 -0.1107513 0.1628955 2.3363484 -0.0869249 -0.1389574 -0.0495671 2.5505303 41 Ca 2.2977694 -0.2137359 -0.0380339 -0.2718941 2.3275472 0.1357282 -0.0110622 0.0946809 2.4116308 42 Ca 2.2977694 0.2137359 -0.0380339 0.2718941 2.3275472 -0.1357282 -0.0110622 -0.0946809 2.4116308 43 Ca 2.2977694 -0.2137359 -0.0380339 -0.2718941 2.3275472 0.1357282 -0.0110622 0.0946809 2.4116308 44 Ca 2.2977694 0.2137359 -0.0380339 0.2718941 2.3275472 -0.1357282 -0.0110622 -0.0946809 2.4116308 45 Ca 2.4897439 -0.0415334 -0.0302441 -0.0384292 2.3315365 -0.2423786 -0.0351088 -0.3082043 2.3924616 46 Ca 2.4897439 0.0415334 -0.0302441 0.0384292 2.3315365 0.2423786 -0.0351088 0.3082043 2.3924616 47 Ca 2.4897439 -0.0415334 -0.0302441 -0.0384292 2.3315365 -0.2423786 -0.0351088 -0.3082043 2.3924616 48 Ca 2.4897439 0.0415334 -0.0302441 0.0384292 2.3315365 0.2423786 -0.0351088 0.3082043 2.3924616 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5328 Number of blocks in projector: 5328 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5328, 5221), data: False |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 241), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 241), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 2.237 Solver_block: 200 / 1440 - Time: 1.109 Solver_block: 300 / 1440 - Time: 1.914 Solver_block: 400 / 1440 - Time: 1.536 Solver_block: 500 / 1440 - Time: 2.158 Solver_block: 600 / 1440 - Time: 1.168 Solver_block: 700 / 1440 - Time: 2.009 Solver_block: 800 / 1440 - Time: 1.711 Solver_block: 900 / 1440 - Time: 2.296 Solver_block: 1000 / 1440 - Time: 1.919 Solver_block: 1100 / 1440 - Time: 2.145 Solver_block: 1200 / 1440 - Time: 1.913 Solver_block: 1300 / 1440 - Time: 1.068 Solver_block: 1400 / 1440 - Time: 1.158 Solver_block: 1440 / 1440 - Time: 0.669 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 25.782 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5328 Number of blocks in projector: 5328 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1152 / 1152 (1) 128 eigenvectors found. (1) Complementary block size: 66 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5328, 5221), data: False |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 241), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 9), data: (500, 21) @ (21, 9) |-- (250, 241), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 42), data: (1152, 66) @ (66, 42) |-- (152, 128), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:54:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:54:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.838080140029295 0.000000000000000 0.000000000000000 b 0.000000000000000 8.871124000000000 0.000000000000000 c -5.181885682309830 0.000000000000000 9.157609607765124 Atomic positions (fractional): 1 O 0.06629352470279 0.66323386071200 0.57529145154800 15.999 2 O 0.93370647529721 0.16323386071200 0.92470854845200 15.999 3 O 0.93370647529721 0.33676613928800 0.42470854845200 15.999 4 O 0.06629352470279 0.83676613928800 0.07529145154800 15.999 5 O 0.15934040926161 0.64066532600864 0.35793287872646 15.999 6 O 0.84065959073839 0.14066532600864 0.14206712127354 15.999 7 O 0.84065959073839 0.35933467399136 0.64206712127354 15.999 8 O 0.15934040926161 0.85933467399136 0.85793287872646 15.999 9 O 0.02642865079331 0.89756397333101 0.40129123703354 15.999 10 O 0.97357134920669 0.39756397333101 0.09870876296646 15.999 11 O 0.97357134920669 0.10243602666899 0.59870876296646 15.999 12 O 0.02642865079331 0.60243602666899 0.90129123703354 15.999 13 O 0.78928748880317 0.65209548913934 0.29675824778679 15.999 14 O 0.21071251119683 0.15209548913934 0.20324175221321 15.999 15 O 0.21071251119683 0.34790451086066 0.70324175221321 15.999 16 O 0.78928748880317 0.84790451086066 0.79675824778679 15.999 17 O 0.44834565880918 0.60037976909611 0.08782338024524 15.999 18 O 0.55165434119082 0.10037976909611 0.41217661975476 15.999 19 O 0.55165434119082 0.39962023090389 0.91217661975476 15.999 20 O 0.44834565880918 0.89962023090389 0.58782338024524 15.999 21 O 0.57838565044991 0.60062212568523 0.64246861793779 15.999 22 O 0.42161434955009 0.10062212568523 0.85753138206221 15.999 23 O 0.42161434955009 0.39937787431477 0.35753138206221 15.999 24 O 0.57838565044991 0.89937787431477 0.14246861793779 15.999 25 O 0.49076907696701 0.76095309579510 0.82277139037759 15.999 26 O 0.50923092303299 0.26095309579510 0.67722860962241 15.999 27 O 0.50923092303299 0.23904690420490 0.17722860962241 15.999 28 O 0.49076907696701 0.73904690420490 0.32277139037759 15.999 29 Si 0.01653730628835 0.71516492690399 0.41113105820646 28.085 30 Si 0.98346269371165 0.21516492690399 0.08886894179354 28.085 31 Si 0.98346269371165 0.28483507309601 0.58886894179354 28.085 32 Si 0.01653730628835 0.78483507309601 0.91113105820646 28.085 33 Si 0.56586196666973 0.73390721778194 0.20346839294179 28.085 34 Si 0.43413803333027 0.23390721778194 0.29653160705821 28.085 35 Si 0.43413803333027 0.26609278221806 0.79653160705821 28.085 36 Si 0.56586196666973 0.76609278221806 0.70346839294179 28.085 37 Ca 0.71565917293826 0.40694889862214 0.15898765320753 40.078 38 Ca 0.28434082706174 0.90694889862214 0.34101234679247 40.078 39 Ca 0.28434082706174 0.59305110137786 0.84101234679246 40.078 40 Ca 0.71565917293826 0.09305110137786 0.65898765320754 40.078 41 Ca 0.79106271992139 0.07499162869742 0.33140381956097 40.078 42 Ca 0.20893728007861 0.57499162869742 0.16859618043903 40.078 43 Ca 0.20893728007861 0.92500837130258 0.66859618043903 40.078 44 Ca 0.79106271992139 0.42500837130258 0.83140381956097 40.078 45 Ca 0.70935308071410 0.55924469728009 0.49106342330845 40.078 46 Ca 0.29064691928590 0.05924469728009 0.00893657669155 40.078 47 Ca 0.29064691928590 0.44075530271991 0.50893657669155 40.078 48 Ca 0.70935308071410 0.94075530271991 0.99106342330845 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.676160280058591 0.000000000000000 0.000000000000000 b 0.000000000000000 8.871124000000000 0.000000000000000 c -5.181885682309830 0.000000000000000 9.157609607765124 Atomic positions (fractional): 1 O 0.03314676235140 0.66323386071200 0.57529145154800 15.999 > 1 2 O 0.53314676235140 0.66323386071200 0.57529145154800 15.999 > 1 3 O 0.46685323764860 0.16323386071200 0.92470854845200 15.999 > 3 4 O 0.96685323764860 0.16323386071200 0.92470854845200 15.999 > 3 5 O 0.46685323764860 0.33676613928800 0.42470854845200 15.999 > 5 6 O 0.96685323764860 0.33676613928800 0.42470854845200 15.999 > 5 7 O 0.03314676235140 0.83676613928800 0.07529145154800 15.999 > 7 8 O 0.53314676235140 0.83676613928800 0.07529145154800 15.999 > 7 9 O 0.07967020463081 0.64066532600864 0.35793287872646 15.999 > 9 10 O 0.57967020463081 0.64066532600864 0.35793287872646 15.999 > 9 11 O 0.42032979536919 0.14066532600864 0.14206712127354 15.999 > 11 12 O 0.92032979536919 0.14066532600864 0.14206712127354 15.999 > 11 13 O 0.42032979536919 0.35933467399136 0.64206712127354 15.999 > 13 14 O 0.92032979536919 0.35933467399136 0.64206712127354 15.999 > 13 15 O 0.07967020463081 0.85933467399136 0.85793287872646 15.999 > 15 16 O 0.57967020463081 0.85933467399136 0.85793287872646 15.999 > 15 17 O 0.01321432539665 0.89756397333101 0.40129123703354 15.999 > 17 18 O 0.51321432539665 0.89756397333101 0.40129123703354 15.999 > 17 19 O 0.48678567460335 0.39756397333101 0.09870876296646 15.999 > 19 20 O 0.98678567460335 0.39756397333101 0.09870876296646 15.999 > 19 21 O 0.48678567460335 0.10243602666899 0.59870876296646 15.999 > 21 22 O 0.98678567460335 0.10243602666899 0.59870876296646 15.999 > 21 23 O 0.01321432539665 0.60243602666899 0.90129123703354 15.999 > 23 24 O 0.51321432539665 0.60243602666899 0.90129123703354 15.999 > 23 25 O 0.39464374440159 0.65209548913934 0.29675824778679 15.999 > 25 26 O 0.89464374440159 0.65209548913934 0.29675824778679 15.999 > 25 27 O 0.10535625559841 0.15209548913934 0.20324175221321 15.999 > 27 28 O 0.60535625559841 0.15209548913934 0.20324175221321 15.999 > 27 29 O 0.10535625559841 0.34790451086066 0.70324175221321 15.999 > 29 30 O 0.60535625559841 0.34790451086066 0.70324175221321 15.999 > 29 31 O 0.39464374440159 0.84790451086066 0.79675824778679 15.999 > 31 32 O 0.89464374440159 0.84790451086066 0.79675824778679 15.999 > 31 33 O 0.22417282940459 0.60037976909611 0.08782338024524 15.999 > 33 34 O 0.72417282940459 0.60037976909611 0.08782338024524 15.999 > 33 35 O 0.27582717059541 0.10037976909611 0.41217661975476 15.999 > 35 36 O 0.77582717059541 0.10037976909611 0.41217661975476 15.999 > 35 37 O 0.27582717059541 0.39962023090389 0.91217661975476 15.999 > 37 38 O 0.77582717059541 0.39962023090389 0.91217661975476 15.999 > 37 39 O 0.22417282940459 0.89962023090389 0.58782338024524 15.999 > 39 40 O 0.72417282940459 0.89962023090389 0.58782338024524 15.999 > 39 41 O 0.28919282522495 0.60062212568523 0.64246861793779 15.999 > 41 42 O 0.78919282522495 0.60062212568523 0.64246861793779 15.999 > 41 43 O 0.21080717477505 0.10062212568523 0.85753138206221 15.999 > 43 44 O 0.71080717477505 0.10062212568523 0.85753138206221 15.999 > 43 45 O 0.21080717477505 0.39937787431477 0.35753138206221 15.999 > 45 46 O 0.71080717477505 0.39937787431477 0.35753138206221 15.999 > 45 47 O 0.28919282522495 0.89937787431477 0.14246861793779 15.999 > 47 48 O 0.78919282522495 0.89937787431477 0.14246861793779 15.999 > 47 49 O 0.24538453848351 0.76095309579510 0.82277139037759 15.999 > 49 50 O 0.74538453848351 0.76095309579510 0.82277139037759 15.999 > 49 51 O 0.25461546151649 0.26095309579510 0.67722860962241 15.999 > 51 52 O 0.75461546151649 0.26095309579510 0.67722860962241 15.999 > 51 53 O 0.25461546151649 0.23904690420490 0.17722860962241 15.999 > 53 54 O 0.75461546151649 0.23904690420490 0.17722860962241 15.999 > 53 55 O 0.24538453848351 0.73904690420490 0.32277139037759 15.999 > 55 56 O 0.74538453848351 0.73904690420490 0.32277139037759 15.999 > 55 57 Si 0.00826865314417 0.71516492690399 0.41113105820646 28.085 > 57 58 Si 0.50826865314417 0.71516492690399 0.41113105820646 28.085 > 57 59 Si 0.49173134685583 0.21516492690399 0.08886894179354 28.085 > 59 60 Si 0.99173134685583 0.21516492690399 0.08886894179354 28.085 > 59 61 Si 0.49173134685583 0.28483507309601 0.58886894179354 28.085 > 61 62 Si 0.99173134685583 0.28483507309601 0.58886894179354 28.085 > 61 63 Si 0.00826865314417 0.78483507309601 0.91113105820646 28.085 > 63 64 Si 0.50826865314417 0.78483507309601 0.91113105820646 28.085 > 63 65 Si 0.28293098333487 0.73390721778194 0.20346839294179 28.085 > 65 66 Si 0.78293098333487 0.73390721778194 0.20346839294179 28.085 > 65 67 Si 0.21706901666513 0.23390721778194 0.29653160705821 28.085 > 67 68 Si 0.71706901666513 0.23390721778194 0.29653160705821 28.085 > 67 69 Si 0.21706901666513 0.26609278221806 0.79653160705821 28.085 > 69 70 Si 0.71706901666513 0.26609278221806 0.79653160705821 28.085 > 69 71 Si 0.28293098333487 0.76609278221806 0.70346839294179 28.085 > 71 72 Si 0.78293098333487 0.76609278221806 0.70346839294179 28.085 > 71 73 Ca 0.35782958646913 0.40694889862214 0.15898765320753 40.078 > 73 74 Ca 0.85782958646913 0.40694889862214 0.15898765320753 40.078 > 73 75 Ca 0.14217041353087 0.90694889862214 0.34101234679247 40.078 > 75 76 Ca 0.64217041353087 0.90694889862214 0.34101234679247 40.078 > 75 77 Ca 0.14217041353087 0.59305110137786 0.84101234679246 40.078 > 77 78 Ca 0.64217041353087 0.59305110137786 0.84101234679246 40.078 > 77 79 Ca 0.35782958646913 0.09305110137786 0.65898765320754 40.078 > 79 80 Ca 0.85782958646913 0.09305110137786 0.65898765320754 40.078 > 79 81 Ca 0.39553135996069 0.07499162869742 0.33140381956097 40.078 > 81 82 Ca 0.89553135996069 0.07499162869742 0.33140381956097 40.078 > 81 83 Ca 0.10446864003931 0.57499162869742 0.16859618043903 40.078 > 83 84 Ca 0.60446864003931 0.57499162869742 0.16859618043903 40.078 > 83 85 Ca 0.10446864003931 0.92500837130258 0.66859618043903 40.078 > 85 86 Ca 0.60446864003931 0.92500837130258 0.66859618043903 40.078 > 85 87 Ca 0.39553135996069 0.42500837130258 0.83140381956097 40.078 > 87 88 Ca 0.89553135996069 0.42500837130258 0.83140381956097 40.078 > 87 89 Ca 0.35467654035705 0.55924469728009 0.49106342330845 40.078 > 89 90 Ca 0.85467654035705 0.55924469728009 0.49106342330845 40.078 > 89 91 Ca 0.14532345964295 0.05924469728009 0.00893657669155 40.078 > 91 92 Ca 0.64532345964295 0.05924469728009 0.00893657669155 40.078 > 91 93 Ca 0.14532345964295 0.44075530271991 0.50893657669155 40.078 > 93 94 Ca 0.64532345964295 0.44075530271991 0.50893657669155 40.078 > 93 95 Ca 0.35467654035705 0.94075530271991 0.99106342330845 40.078 > 95 96 Ca 0.85467654035705 0.94075530271991 0.99106342330845 40.078 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0301121 0.0000000 0.0015829 0.0000000 2.9959794 0.0000000 0.0015812 0.0000000 2.9993917 -------------------------- Born effective charges -------------------------- 1 O -1.6008995 -0.1487517 0.0291469 -0.2019733 -1.6539782 0.0784720 0.0771294 0.1349870 -2.2199269 2 O -1.6008995 0.1487517 0.0291469 0.2019733 -1.6539782 -0.0784720 0.0771294 -0.1349870 -2.2199269 3 O -1.6008995 -0.1487517 0.0291469 -0.2019733 -1.6539782 0.0784720 0.0771294 0.1349870 -2.2199269 4 O -1.6008995 0.1487517 0.0291469 0.2019733 -1.6539782 -0.0784720 0.0771294 -0.1349870 -2.2199269 5 O -2.0579293 0.3017916 0.4444710 0.3181841 -1.8510508 0.0010899 0.4059314 0.0766209 -1.7168444 6 O -2.0579293 -0.3017916 0.4444710 -0.3181841 -1.8510508 -0.0010899 0.4059314 -0.0766209 -1.7168444 7 O -2.0579293 0.3017916 0.4444710 0.3181841 -1.8510508 0.0010899 0.4059314 0.0766209 -1.7168444 8 O -2.0579293 -0.3017916 0.4444710 -0.3181841 -1.8510508 -0.0010899 0.4059314 -0.0766209 -1.7168444 9 O -1.7318358 0.1637865 -0.0537305 0.2203759 -2.2155386 0.1332056 -0.0834956 0.1296279 -1.5690582 10 O -1.7318358 -0.1637865 -0.0537305 -0.2203759 -2.2155386 -0.1332056 -0.0834956 -0.1296279 -1.5690582 11 O -1.7318358 0.1637865 -0.0537305 0.2203759 -2.2155386 0.1332056 -0.0834956 0.1296279 -1.5690582 12 O -1.7318358 -0.1637865 -0.0537305 -0.2203759 -2.2155386 -0.1332056 -0.0834956 -0.1296279 -1.5690582 13 O -2.2560269 0.0081259 -0.8430633 0.0131835 -1.5027570 0.0092381 -0.7900183 0.0030355 -1.8785497 14 O -2.2560269 -0.0081259 -0.8430633 -0.0131835 -1.5027570 -0.0092381 -0.7900183 -0.0030355 -1.8785497 15 O -2.2560269 0.0081259 -0.8430633 0.0131835 -1.5027570 0.0092381 -0.7900183 0.0030355 -1.8785497 16 O -2.2560269 -0.0081259 -0.8430633 -0.0131835 -1.5027570 -0.0092381 -0.7900183 -0.0030355 -1.8785497 17 O -1.6588756 0.0414525 -0.0708637 0.0514334 -1.7303739 -0.2248018 -0.0655921 -0.3303642 -2.0847123 18 O -1.6588756 -0.0414525 -0.0708637 -0.0514334 -1.7303739 0.2248018 -0.0655921 0.3303642 -2.0847123 19 O -1.6588756 0.0414525 -0.0708637 0.0514334 -1.7303739 -0.2248018 -0.0655921 -0.3303642 -2.0847123 20 O -1.6588756 -0.0414525 -0.0708637 -0.0514334 -1.7303739 0.2248018 -0.0655921 0.3303642 -2.0847123 21 O -1.6672857 0.1980272 0.0994119 0.2762259 -2.1568691 -0.2846491 0.1008561 -0.3085729 -1.6655692 22 O -1.6672857 -0.1980272 0.0994119 -0.2762259 -2.1568691 0.2846491 0.1008561 0.3085729 -1.6655692 23 O -1.6672857 0.1980272 0.0994119 0.2762259 -2.1568691 -0.2846491 0.1008561 -0.3085729 -1.6655692 24 O -1.6672857 -0.1980272 0.0994119 -0.2762259 -2.1568691 0.2846491 0.1008561 0.3085729 -1.6655692 25 O -2.0750702 -0.1796166 0.2489493 -0.1559438 -1.6466507 -0.0730923 0.2067037 -0.0822141 -1.7955595 26 O -2.0750702 0.1796166 0.2489493 0.1559438 -1.6466507 0.0730923 0.2067037 0.0822141 -1.7955595 27 O -2.0750702 -0.1796166 0.2489493 -0.1559438 -1.6466507 -0.0730923 0.2067037 -0.0822141 -1.7955595 28 O -2.0750702 0.1796166 0.2489493 0.1559438 -1.6466507 0.0730923 0.2067037 0.0822141 -1.7955595 29 Si 3.0233743 0.1445078 0.2218264 0.0259130 2.7942772 0.0032859 0.1081153 -0.0098882 2.7768250 30 Si 3.0233743 -0.1445078 0.2218264 -0.0259130 2.7942772 -0.0032859 0.1081153 0.0098882 2.7768250 31 Si 3.0233743 0.1445078 0.2218264 0.0259130 2.7942772 0.0032859 0.1081153 -0.0098882 2.7768250 32 Si 3.0233743 -0.1445078 0.2218264 -0.0259130 2.7942772 -0.0032859 0.1081153 0.0098882 2.7768250 33 Si 2.8377994 0.0594056 0.1028814 0.2017064 2.9675091 -0.1535593 0.2254986 -0.1764953 2.7987724 34 Si 2.8377994 -0.0594056 0.1028814 -0.2017064 2.9675091 0.1535593 0.2254986 0.1764953 2.7987724 35 Si 2.8377994 0.0594056 0.1028814 0.2017064 2.9675091 -0.1535593 0.2254986 -0.1764953 2.7987724 36 Si 2.8377994 -0.0594056 0.1028814 -0.2017064 2.9675091 0.1535593 0.2254986 0.1764953 2.7987724 37 Ca 2.3992361 -0.1137493 -0.1107513 -0.1628955 2.3363484 0.0869249 -0.1389574 0.0495671 2.5505303 38 Ca 2.3992361 0.1137493 -0.1107513 0.1628955 2.3363484 -0.0869249 -0.1389574 -0.0495671 2.5505303 39 Ca 2.3992361 -0.1137493 -0.1107513 -0.1628955 2.3363484 0.0869249 -0.1389574 0.0495671 2.5505303 40 Ca 2.3992361 0.1137493 -0.1107513 0.1628955 2.3363484 -0.0869249 -0.1389574 -0.0495671 2.5505303 41 Ca 2.2977694 -0.2137359 -0.0380339 -0.2718941 2.3275472 0.1357282 -0.0110622 0.0946809 2.4116308 42 Ca 2.2977694 0.2137359 -0.0380339 0.2718941 2.3275472 -0.1357282 -0.0110622 -0.0946809 2.4116308 43 Ca 2.2977694 -0.2137359 -0.0380339 -0.2718941 2.3275472 0.1357282 -0.0110622 0.0946809 2.4116308 44 Ca 2.2977694 0.2137359 -0.0380339 0.2718941 2.3275472 -0.1357282 -0.0110622 -0.0946809 2.4116308 45 Ca 2.4897439 -0.0415334 -0.0302441 -0.0384292 2.3315365 -0.2423786 -0.0351088 -0.3082043 2.3924616 46 Ca 2.4897439 0.0415334 -0.0302441 0.0384292 2.3315365 0.2423786 -0.0351088 0.3082043 2.3924616 47 Ca 2.4897439 -0.0415334 -0.0302441 -0.0384292 2.3315365 -0.2423786 -0.0351088 -0.3082043 2.3924616 48 Ca 2.4897439 0.0415334 -0.0302441 0.0384292 2.3315365 0.2423786 -0.0351088 0.3082043 2.3924616 ---------------------------------------------------------------------------- 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087] Computing fc3[ 89, 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] [-0.0049 0.0000 0.0087] [ 0.0049 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:55:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:55:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.838080140029295 0.000000000000000 0.000000000000000 b 0.000000000000000 8.871124000000000 0.000000000000000 c -5.181885682309830 0.000000000000000 9.157609607765124 Atomic positions (fractional): 1 O 0.06629352470279 0.66323386071200 0.57529145154800 15.999 2 O 0.93370647529721 0.16323386071200 0.92470854845200 15.999 3 O 0.93370647529721 0.33676613928800 0.42470854845200 15.999 4 O 0.06629352470279 0.83676613928800 0.07529145154800 15.999 5 O 0.15934040926161 0.64066532600864 0.35793287872646 15.999 6 O 0.84065959073839 0.14066532600864 0.14206712127354 15.999 7 O 0.84065959073839 0.35933467399136 0.64206712127354 15.999 8 O 0.15934040926161 0.85933467399136 0.85793287872646 15.999 9 O 0.02642865079331 0.89756397333101 0.40129123703354 15.999 10 O 0.97357134920669 0.39756397333101 0.09870876296646 15.999 11 O 0.97357134920669 0.10243602666899 0.59870876296646 15.999 12 O 0.02642865079331 0.60243602666899 0.90129123703354 15.999 13 O 0.78928748880317 0.65209548913934 0.29675824778679 15.999 14 O 0.21071251119683 0.15209548913934 0.20324175221321 15.999 15 O 0.21071251119683 0.34790451086066 0.70324175221321 15.999 16 O 0.78928748880317 0.84790451086066 0.79675824778679 15.999 17 O 0.44834565880918 0.60037976909611 0.08782338024524 15.999 18 O 0.55165434119082 0.10037976909611 0.41217661975476 15.999 19 O 0.55165434119082 0.39962023090389 0.91217661975476 15.999 20 O 0.44834565880918 0.89962023090389 0.58782338024524 15.999 21 O 0.57838565044991 0.60062212568523 0.64246861793779 15.999 22 O 0.42161434955009 0.10062212568523 0.85753138206221 15.999 23 O 0.42161434955009 0.39937787431477 0.35753138206221 15.999 24 O 0.57838565044991 0.89937787431477 0.14246861793779 15.999 25 O 0.49076907696701 0.76095309579510 0.82277139037759 15.999 26 O 0.50923092303299 0.26095309579510 0.67722860962241 15.999 27 O 0.50923092303299 0.23904690420490 0.17722860962241 15.999 28 O 0.49076907696701 0.73904690420490 0.32277139037759 15.999 29 Si 0.01653730628835 0.71516492690399 0.41113105820646 28.085 30 Si 0.98346269371165 0.21516492690399 0.08886894179354 28.085 31 Si 0.98346269371165 0.28483507309601 0.58886894179354 28.085 32 Si 0.01653730628835 0.78483507309601 0.91113105820646 28.085 33 Si 0.56586196666973 0.73390721778194 0.20346839294179 28.085 34 Si 0.43413803333027 0.23390721778194 0.29653160705821 28.085 35 Si 0.43413803333027 0.26609278221806 0.79653160705821 28.085 36 Si 0.56586196666973 0.76609278221806 0.70346839294179 28.085 37 Ca 0.71565917293826 0.40694889862214 0.15898765320753 40.078 38 Ca 0.28434082706174 0.90694889862214 0.34101234679247 40.078 39 Ca 0.28434082706174 0.59305110137786 0.84101234679246 40.078 40 Ca 0.71565917293826 0.09305110137786 0.65898765320754 40.078 41 Ca 0.79106271992139 0.07499162869742 0.33140381956097 40.078 42 Ca 0.20893728007861 0.57499162869742 0.16859618043903 40.078 43 Ca 0.20893728007861 0.92500837130258 0.66859618043903 40.078 44 Ca 0.79106271992139 0.42500837130258 0.83140381956097 40.078 45 Ca 0.70935308071410 0.55924469728009 0.49106342330845 40.078 46 Ca 0.29064691928590 0.05924469728009 0.00893657669155 40.078 47 Ca 0.29064691928590 0.44075530271991 0.50893657669155 40.078 48 Ca 0.70935308071410 0.94075530271991 0.99106342330845 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.676160280058591 0.000000000000000 0.000000000000000 b 0.000000000000000 8.871124000000000 0.000000000000000 c -5.181885682309830 0.000000000000000 9.157609607765124 Atomic positions (fractional): 1 O 0.03314676235140 0.66323386071200 0.57529145154800 15.999 > 1 2 O 0.53314676235140 0.66323386071200 0.57529145154800 15.999 > 1 3 O 0.46685323764860 0.16323386071200 0.92470854845200 15.999 > 3 4 O 0.96685323764860 0.16323386071200 0.92470854845200 15.999 > 3 5 O 0.46685323764860 0.33676613928800 0.42470854845200 15.999 > 5 6 O 0.96685323764860 0.33676613928800 0.42470854845200 15.999 > 5 7 O 0.03314676235140 0.83676613928800 0.07529145154800 15.999 > 7 8 O 0.53314676235140 0.83676613928800 0.07529145154800 15.999 > 7 9 O 0.07967020463081 0.64066532600864 0.35793287872646 15.999 > 9 10 O 0.57967020463081 0.64066532600864 0.35793287872646 15.999 > 9 11 O 0.42032979536919 0.14066532600864 0.14206712127354 15.999 > 11 12 O 0.92032979536919 0.14066532600864 0.14206712127354 15.999 > 11 13 O 0.42032979536919 0.35933467399136 0.64206712127354 15.999 > 13 14 O 0.92032979536919 0.35933467399136 0.64206712127354 15.999 > 13 15 O 0.07967020463081 0.85933467399136 0.85793287872646 15.999 > 15 16 O 0.57967020463081 0.85933467399136 0.85793287872646 15.999 > 15 17 O 0.01321432539665 0.89756397333101 0.40129123703354 15.999 > 17 18 O 0.51321432539665 0.89756397333101 0.40129123703354 15.999 > 17 19 O 0.48678567460335 0.39756397333101 0.09870876296646 15.999 > 19 20 O 0.98678567460335 0.39756397333101 0.09870876296646 15.999 > 19 21 O 0.48678567460335 0.10243602666899 0.59870876296646 15.999 > 21 22 O 0.98678567460335 0.10243602666899 0.59870876296646 15.999 > 21 23 O 0.01321432539665 0.60243602666899 0.90129123703354 15.999 > 23 24 O 0.51321432539665 0.60243602666899 0.90129123703354 15.999 > 23 25 O 0.39464374440159 0.65209548913934 0.29675824778679 15.999 > 25 26 O 0.89464374440159 0.65209548913934 0.29675824778679 15.999 > 25 27 O 0.10535625559841 0.15209548913934 0.20324175221321 15.999 > 27 28 O 0.60535625559841 0.15209548913934 0.20324175221321 15.999 > 27 29 O 0.10535625559841 0.34790451086066 0.70324175221321 15.999 > 29 30 O 0.60535625559841 0.34790451086066 0.70324175221321 15.999 > 29 31 O 0.39464374440159 0.84790451086066 0.79675824778679 15.999 > 31 32 O 0.89464374440159 0.84790451086066 0.79675824778679 15.999 > 31 33 O 0.22417282940459 0.60037976909611 0.08782338024524 15.999 > 33 34 O 0.72417282940459 0.60037976909611 0.08782338024524 15.999 > 33 35 O 0.27582717059541 0.10037976909611 0.41217661975476 15.999 > 35 36 O 0.77582717059541 0.10037976909611 0.41217661975476 15.999 > 35 37 O 0.27582717059541 0.39962023090389 0.91217661975476 15.999 > 37 38 O 0.77582717059541 0.39962023090389 0.91217661975476 15.999 > 37 39 O 0.22417282940459 0.89962023090389 0.58782338024524 15.999 > 39 40 O 0.72417282940459 0.89962023090389 0.58782338024524 15.999 > 39 41 O 0.28919282522495 0.60062212568523 0.64246861793779 15.999 > 41 42 O 0.78919282522495 0.60062212568523 0.64246861793779 15.999 > 41 43 O 0.21080717477505 0.10062212568523 0.85753138206221 15.999 > 43 44 O 0.71080717477505 0.10062212568523 0.85753138206221 15.999 > 43 45 O 0.21080717477505 0.39937787431477 0.35753138206221 15.999 > 45 46 O 0.71080717477505 0.39937787431477 0.35753138206221 15.999 > 45 47 O 0.28919282522495 0.89937787431477 0.14246861793779 15.999 > 47 48 O 0.78919282522495 0.89937787431477 0.14246861793779 15.999 > 47 49 O 0.24538453848351 0.76095309579510 0.82277139037759 15.999 > 49 50 O 0.74538453848351 0.76095309579510 0.82277139037759 15.999 > 49 51 O 0.25461546151649 0.26095309579510 0.67722860962241 15.999 > 51 52 O 0.75461546151649 0.26095309579510 0.67722860962241 15.999 > 51 53 O 0.25461546151649 0.23904690420490 0.17722860962241 15.999 > 53 54 O 0.75461546151649 0.23904690420490 0.17722860962241 15.999 > 53 55 O 0.24538453848351 0.73904690420490 0.32277139037759 15.999 > 55 56 O 0.74538453848351 0.73904690420490 0.32277139037759 15.999 > 55 57 Si 0.00826865314417 0.71516492690399 0.41113105820646 28.085 > 57 58 Si 0.50826865314417 0.71516492690399 0.41113105820646 28.085 > 57 59 Si 0.49173134685583 0.21516492690399 0.08886894179354 28.085 > 59 60 Si 0.99173134685583 0.21516492690399 0.08886894179354 28.085 > 59 61 Si 0.49173134685583 0.28483507309601 0.58886894179354 28.085 > 61 62 Si 0.99173134685583 0.28483507309601 0.58886894179354 28.085 > 61 63 Si 0.00826865314417 0.78483507309601 0.91113105820646 28.085 > 63 64 Si 0.50826865314417 0.78483507309601 0.91113105820646 28.085 > 63 65 Si 0.28293098333487 0.73390721778194 0.20346839294179 28.085 > 65 66 Si 0.78293098333487 0.73390721778194 0.20346839294179 28.085 > 65 67 Si 0.21706901666513 0.23390721778194 0.29653160705821 28.085 > 67 68 Si 0.71706901666513 0.23390721778194 0.29653160705821 28.085 > 67 69 Si 0.21706901666513 0.26609278221806 0.79653160705821 28.085 > 69 70 Si 0.71706901666513 0.26609278221806 0.79653160705821 28.085 > 69 71 Si 0.28293098333487 0.76609278221806 0.70346839294179 28.085 > 71 72 Si 0.78293098333487 0.76609278221806 0.70346839294179 28.085 > 71 73 Ca 0.35782958646913 0.40694889862214 0.15898765320753 40.078 > 73 74 Ca 0.85782958646913 0.40694889862214 0.15898765320753 40.078 > 73 75 Ca 0.14217041353087 0.90694889862214 0.34101234679247 40.078 > 75 76 Ca 0.64217041353087 0.90694889862214 0.34101234679247 40.078 > 75 77 Ca 0.14217041353087 0.59305110137786 0.84101234679246 40.078 > 77 78 Ca 0.64217041353087 0.59305110137786 0.84101234679246 40.078 > 77 79 Ca 0.35782958646913 0.09305110137786 0.65898765320754 40.078 > 79 80 Ca 0.85782958646913 0.09305110137786 0.65898765320754 40.078 > 79 81 Ca 0.39553135996069 0.07499162869742 0.33140381956097 40.078 > 81 82 Ca 0.89553135996069 0.07499162869742 0.33140381956097 40.078 > 81 83 Ca 0.10446864003931 0.57499162869742 0.16859618043903 40.078 > 83 84 Ca 0.60446864003931 0.57499162869742 0.16859618043903 40.078 > 83 85 Ca 0.10446864003931 0.92500837130258 0.66859618043903 40.078 > 85 86 Ca 0.60446864003931 0.92500837130258 0.66859618043903 40.078 > 85 87 Ca 0.39553135996069 0.42500837130258 0.83140381956097 40.078 > 87 88 Ca 0.89553135996069 0.42500837130258 0.83140381956097 40.078 > 87 89 Ca 0.35467654035705 0.55924469728009 0.49106342330845 40.078 > 89 90 Ca 0.85467654035705 0.55924469728009 0.49106342330845 40.078 > 89 91 Ca 0.14532345964295 0.05924469728009 0.00893657669155 40.078 > 91 92 Ca 0.64532345964295 0.05924469728009 0.00893657669155 40.078 > 91 93 Ca 0.14532345964295 0.44075530271991 0.50893657669155 40.078 > 93 94 Ca 0.64532345964295 0.44075530271991 0.50893657669155 40.078 > 93 95 Ca 0.35467654035705 0.94075530271991 0.99106342330845 40.078 > 95 96 Ca 0.85467654035705 0.94075530271991 0.99106342330845 40.078 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0301121 0.0000000 0.0015829 0.0000000 2.9959794 0.0000000 0.0015812 0.0000000 2.9993917 -------------------------- Born effective charges -------------------------- 1 O -1.6008995 -0.1487517 0.0291469 -0.2019733 -1.6539782 0.0784720 0.0771294 0.1349870 -2.2199269 2 O -1.6008995 0.1487517 0.0291469 0.2019733 -1.6539782 -0.0784720 0.0771294 -0.1349870 -2.2199269 3 O -1.6008995 -0.1487517 0.0291469 -0.2019733 -1.6539782 0.0784720 0.0771294 0.1349870 -2.2199269 4 O -1.6008995 0.1487517 0.0291469 0.2019733 -1.6539782 -0.0784720 0.0771294 -0.1349870 -2.2199269 5 O -2.0579293 0.3017916 0.4444710 0.3181841 -1.8510508 0.0010899 0.4059314 0.0766209 -1.7168444 6 O -2.0579293 -0.3017916 0.4444710 -0.3181841 -1.8510508 -0.0010899 0.4059314 -0.0766209 -1.7168444 7 O -2.0579293 0.3017916 0.4444710 0.3181841 -1.8510508 0.0010899 0.4059314 0.0766209 -1.7168444 8 O -2.0579293 -0.3017916 0.4444710 -0.3181841 -1.8510508 -0.0010899 0.4059314 -0.0766209 -1.7168444 9 O -1.7318358 0.1637865 -0.0537305 0.2203759 -2.2155386 0.1332056 -0.0834956 0.1296279 -1.5690582 10 O -1.7318358 -0.1637865 -0.0537305 -0.2203759 -2.2155386 -0.1332056 -0.0834956 -0.1296279 -1.5690582 11 O -1.7318358 0.1637865 -0.0537305 0.2203759 -2.2155386 0.1332056 -0.0834956 0.1296279 -1.5690582 12 O -1.7318358 -0.1637865 -0.0537305 -0.2203759 -2.2155386 -0.1332056 -0.0834956 -0.1296279 -1.5690582 13 O -2.2560269 0.0081259 -0.8430633 0.0131835 -1.5027570 0.0092381 -0.7900183 0.0030355 -1.8785497 14 O -2.2560269 -0.0081259 -0.8430633 -0.0131835 -1.5027570 -0.0092381 -0.7900183 -0.0030355 -1.8785497 15 O -2.2560269 0.0081259 -0.8430633 0.0131835 -1.5027570 0.0092381 -0.7900183 0.0030355 -1.8785497 16 O -2.2560269 -0.0081259 -0.8430633 -0.0131835 -1.5027570 -0.0092381 -0.7900183 -0.0030355 -1.8785497 17 O -1.6588756 0.0414525 -0.0708637 0.0514334 -1.7303739 -0.2248018 -0.0655921 -0.3303642 -2.0847123 18 O -1.6588756 -0.0414525 -0.0708637 -0.0514334 -1.7303739 0.2248018 -0.0655921 0.3303642 -2.0847123 19 O -1.6588756 0.0414525 -0.0708637 0.0514334 -1.7303739 -0.2248018 -0.0655921 -0.3303642 -2.0847123 20 O -1.6588756 -0.0414525 -0.0708637 -0.0514334 -1.7303739 0.2248018 -0.0655921 0.3303642 -2.0847123 21 O -1.6672857 0.1980272 0.0994119 0.2762259 -2.1568691 -0.2846491 0.1008561 -0.3085729 -1.6655692 22 O -1.6672857 -0.1980272 0.0994119 -0.2762259 -2.1568691 0.2846491 0.1008561 0.3085729 -1.6655692 23 O -1.6672857 0.1980272 0.0994119 0.2762259 -2.1568691 -0.2846491 0.1008561 -0.3085729 -1.6655692 24 O -1.6672857 -0.1980272 0.0994119 -0.2762259 -2.1568691 0.2846491 0.1008561 0.3085729 -1.6655692 25 O -2.0750702 -0.1796166 0.2489493 -0.1559438 -1.6466507 -0.0730923 0.2067037 -0.0822141 -1.7955595 26 O -2.0750702 0.1796166 0.2489493 0.1559438 -1.6466507 0.0730923 0.2067037 0.0822141 -1.7955595 27 O -2.0750702 -0.1796166 0.2489493 -0.1559438 -1.6466507 -0.0730923 0.2067037 -0.0822141 -1.7955595 28 O -2.0750702 0.1796166 0.2489493 0.1559438 -1.6466507 0.0730923 0.2067037 0.0822141 -1.7955595 29 Si 3.0233743 0.1445078 0.2218264 0.0259130 2.7942772 0.0032859 0.1081153 -0.0098882 2.7768250 30 Si 3.0233743 -0.1445078 0.2218264 -0.0259130 2.7942772 -0.0032859 0.1081153 0.0098882 2.7768250 31 Si 3.0233743 0.1445078 0.2218264 0.0259130 2.7942772 0.0032859 0.1081153 -0.0098882 2.7768250 32 Si 3.0233743 -0.1445078 0.2218264 -0.0259130 2.7942772 -0.0032859 0.1081153 0.0098882 2.7768250 33 Si 2.8377994 0.0594056 0.1028814 0.2017064 2.9675091 -0.1535593 0.2254986 -0.1764953 2.7987724 34 Si 2.8377994 -0.0594056 0.1028814 -0.2017064 2.9675091 0.1535593 0.2254986 0.1764953 2.7987724 35 Si 2.8377994 0.0594056 0.1028814 0.2017064 2.9675091 -0.1535593 0.2254986 -0.1764953 2.7987724 36 Si 2.8377994 -0.0594056 0.1028814 -0.2017064 2.9675091 0.1535593 0.2254986 0.1764953 2.7987724 37 Ca 2.3992361 -0.1137493 -0.1107513 -0.1628955 2.3363484 0.0869249 -0.1389574 0.0495671 2.5505303 38 Ca 2.3992361 0.1137493 -0.1107513 0.1628955 2.3363484 -0.0869249 -0.1389574 -0.0495671 2.5505303 39 Ca 2.3992361 -0.1137493 -0.1107513 -0.1628955 2.3363484 0.0869249 -0.1389574 0.0495671 2.5505303 40 Ca 2.3992361 0.1137493 -0.1107513 0.1628955 2.3363484 -0.0869249 -0.1389574 -0.0495671 2.5505303 41 Ca 2.2977694 -0.2137359 -0.0380339 -0.2718941 2.3275472 0.1357282 -0.0110622 0.0946809 2.4116308 42 Ca 2.2977694 0.2137359 -0.0380339 0.2718941 2.3275472 -0.1357282 -0.0110622 -0.0946809 2.4116308 43 Ca 2.2977694 -0.2137359 -0.0380339 -0.2718941 2.3275472 0.1357282 -0.0110622 0.0946809 2.4116308 44 Ca 2.2977694 0.2137359 -0.0380339 0.2718941 2.3275472 -0.1357282 -0.0110622 -0.0946809 2.4116308 45 Ca 2.4897439 -0.0415334 -0.0302441 -0.0384292 2.3315365 -0.2423786 -0.0351088 -0.3082043 2.3924616 46 Ca 2.4897439 0.0415334 -0.0302441 0.0384292 2.3315365 0.2423786 -0.0351088 0.3082043 2.3924616 47 Ca 2.4897439 -0.0415334 -0.0302441 -0.0384292 2.3315365 -0.2423786 -0.0351088 -0.3082043 2.3924616 48 Ca 2.4897439 0.0415334 -0.0302441 0.0384292 2.3315365 0.2423786 -0.0351088 0.3082043 2.3924616 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 6 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 299, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.868 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 4.250 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.724 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 4.891 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 4.993 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.142 ( 0.000 0.000 0.000) 0.000 5.351 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 5.407 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.206 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 6.493 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.613 ( 0.000 0.000 0.000) 0.000 6.648 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 6.853 ( 0.000 0.000 0.000) 0.000 7.087 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 7.166 ( 0.000 0.000 0.000) 0.000 7.280 ( 0.000 0.000 0.000) 0.000 7.310 ( 0.000 0.000 0.000) 0.000 7.333 ( 0.000 0.000 0.000) 0.000 7.440 ( 0.000 0.000 0.000) 0.000 7.545 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 7.774 ( 0.000 0.000 0.000) 0.000 7.862 ( 0.000 0.000 0.000) 0.000 7.907 ( 0.000 0.000 0.000) 0.000 7.949 ( 0.000 0.000 0.000) 0.000 8.188 ( 0.000 0.000 0.000) 0.000 8.273 ( 0.000 0.000 0.000) 0.000 8.288 ( 0.000 0.000 0.000) 0.000 8.344 ( 0.000 0.000 0.000) 0.000 8.429 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 8.635 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 8.999 ( 0.000 0.000 0.000) 0.000 9.139 ( 0.000 0.000 0.000) 0.000 9.194 ( 0.000 0.000 0.000) 0.000 9.399 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 0.000) 0.000 9.634 ( 0.000 0.000 0.000) 0.000 9.886 ( 0.000 0.000 0.000) 0.000 10.020 ( 0.000 0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.158 ( 0.000 0.000 0.000) 0.000 10.175 ( 0.000 0.000 0.000) 0.000 10.359 ( 0.000 0.000 0.000) 0.000 10.486 ( 0.000 0.000 0.000) 0.000 10.550 ( 0.000 0.000 0.000) 0.000 10.705 ( 0.000 0.000 0.000) 0.000 10.777 ( 0.000 0.000 0.000) 0.000 11.366 ( 0.000 0.000 0.000) 0.000 11.801 ( 0.000 0.000 0.000) 0.000 11.984 ( 0.000 0.000 0.000) 0.000 12.045 ( 0.000 0.000 0.000) 0.000 12.881 ( 0.000 0.000 0.000) 0.000 12.911 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.061 ( 0.000 0.000 0.000) 0.000 13.190 ( 0.000 0.000 0.000) 0.000 13.397 ( 0.000 0.000 0.000) 0.000 13.470 ( 0.000 0.000 0.000) 0.000 13.668 ( 0.000 0.000 0.000) 0.000 13.672 ( 0.000 0.000 0.000) 0.000 13.695 ( 0.000 0.000 0.000) 0.000 14.351 ( 0.000 0.000 0.000) 0.000 14.533 ( 0.000 0.000 0.000) 0.000 14.731 ( 0.000 0.000 0.000) 0.000 15.024 ( 0.000 0.000 0.000) 0.000 15.041 ( 0.000 0.000 0.000) 0.000 15.062 ( 0.000 0.000 0.000) 0.000 15.259 ( 0.000 0.000 0.000) 0.000 15.332 ( 0.000 0.000 0.000) 0.000 15.574 ( 0.000 0.000 0.000) 0.000 15.764 ( 0.000 0.000 0.000) 0.000 15.839 ( 0.000 0.000 0.000) 0.000 15.915 ( 0.000 0.000 0.000) 0.000 15.919 ( 0.000 0.000 0.000) 0.000 15.948 ( 0.000 0.000 0.000) 0.000 19.043 ( 0.000 0.000 0.000) 0.000 19.319 ( 0.000 0.000 0.000) 0.000 19.475 ( 0.000 0.000 0.000) 0.000 19.840 ( 0.000 0.000 0.000) 0.000 24.795 ( 0.000 0.000 0.000) 0.000 24.795 ( 0.000 0.000 0.000) 0.000 24.855 ( 0.000 0.000 0.000) 0.000 24.989 ( 0.000 0.000 0.000) 0.000 26.186 ( 0.000 0.000 0.000) 0.000 26.412 ( 0.000 0.000 0.000) 0.000 26.592 ( 0.000 0.000 0.000) 0.000 26.699 ( 0.000 0.000 0.000) 0.000 27.444 ( 0.000 0.000 0.000) 0.000 27.678 ( 0.000 0.000 0.000) 0.000 27.753 ( 0.000 0.000 0.000) 0.000 27.804 ( 0.000 0.000 0.000) 0.000 27.853 ( 0.000 0.000 0.000) 0.000 27.854 ( 0.000 0.000 0.000) 0.000 28.010 ( 0.000 0.000 0.000) 0.000 28.090 ( 0.000 0.000 0.000) 0.000 28.260 ( 0.000 0.000 0.000) 0.000 28.315 ( 0.000 0.000 0.000) 0.000 28.357 ( 0.000 0.000 0.000) 0.000 28.572 ( 0.000 0.000 0.000) 0.000 28.826 ( 0.000 0.000 0.000) 0.000 28.885 ( 0.000 0.000 0.000) 0.000 29.020 ( 0.000 0.000 0.000) 0.000 29.284 ( 0.000 0.000 0.000) 0.000 29.399 ( 0.000 0.000 0.000) 0.000 29.629 ( 0.000 0.000 0.000) 0.000 29.695 ( 0.000 0.000 0.000) 0.000 30.744 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 30.001 0.000 19.428) 35.743 0.802 ( 37.397 0.000 9.975) 38.705 1.578 ( 59.087 0.000 40.592) 71.687 1.981 ( 19.670 0.000 11.922) 23.001 2.137 ( 10.905 0.000 1.780) 11.049 2.836 ( 8.137 0.000 6.408) 10.357 3.279 ( -5.049 0.000 -10.087) 11.281 3.510 ( 11.208 0.000 -3.478) 11.735 3.516 ( 1.623 0.000 3.133) 3.529 3.577 ( -3.173 0.000 -13.663) 14.026 3.680 ( -1.974 0.000 5.389) 5.739 3.722 ( -7.422 0.000 2.899) 7.968 3.839 ( -1.920 0.000 -9.601) 9.791 3.883 ( 2.062 0.000 -12.980) 13.143 4.041 ( 0.639 0.000 -4.203) 4.251 4.065 ( 6.893 0.000 -6.257) 9.309 4.087 ( -20.066 0.000 -8.674) 21.861 4.121 ( -1.165 0.000 1.816) 2.158 4.303 ( 7.388 0.000 -0.569) 7.410 4.495 ( -0.557 0.000 2.305) 2.372 4.620 ( 1.325 0.000 17.811) 17.860 4.634 ( -3.212 0.000 -2.063) 3.818 4.700 ( -7.517 0.000 0.793) 7.558 4.855 ( 0.945 0.000 5.168) 5.254 4.968 ( 8.706 0.000 1.435) 8.824 5.053 ( 8.726 0.000 8.711) 12.330 5.081 ( 6.393 0.000 -5.115) 8.187 5.091 ( -1.367 0.000 2.288) 2.665 5.145 ( 6.605 0.000 -4.099) 7.773 5.341 ( -2.792 0.000 0.698) 2.877 5.374 ( -5.090 0.000 4.679) 6.914 5.407 ( 9.933 0.000 -9.973) 14.076 5.482 ( 1.795 0.000 1.513) 2.348 5.574 ( -1.018 0.000 -3.668) 3.807 5.610 ( 7.575 0.000 2.438) 7.958 5.799 ( 2.178 0.000 -0.105) 2.180 5.972 ( -6.781 0.000 1.643) 6.977 6.169 ( -3.379 0.000 -3.636) 4.964 6.204 ( -1.114 0.000 1.307) 1.717 6.321 ( -6.911 0.000 -0.390) 6.922 6.364 ( -4.552 0.000 -2.503) 5.194 6.485 ( -5.960 0.000 -0.227) 5.965 6.596 ( 3.657 0.000 -3.127) 4.812 6.655 ( -2.103 0.000 -2.507) 3.272 6.786 ( -1.333 0.000 -5.279) 5.445 6.891 ( 8.273 0.000 -3.020) 8.807 6.940 ( -4.574 0.000 -3.206) 5.586 7.107 ( -4.091 0.000 0.076) 4.092 7.169 ( -5.023 0.000 7.112) 8.707 7.265 ( -0.017 0.000 6.009) 6.009 7.294 ( -1.596 0.000 2.654) 3.096 7.304 ( 4.046 0.000 0.240) 4.053 7.402 ( 1.239 0.000 1.288) 1.787 7.520 ( 5.082 0.000 -11.659) 12.719 7.574 ( -3.478 0.000 9.188) 9.824 7.680 ( 2.652 0.000 5.825) 6.400 7.709 ( -10.666 0.000 -2.184) 10.888 7.712 ( -7.936 0.000 0.781) 7.974 7.895 ( 2.396 0.000 -3.760) 4.459 7.948 ( -7.150 0.000 2.458) 7.561 8.033 ( -7.612 0.000 -1.613) 7.781 8.115 ( -2.319 0.000 -3.204) 3.955 8.351 ( -2.294 0.000 -2.449) 3.355 8.420 ( 3.033 0.000 -2.319) 3.818 8.563 ( -6.344 0.000 -12.291) 13.832 8.579 ( 8.602 0.000 6.260) 10.639 8.588 ( 5.974 0.000 16.683) 17.720 8.732 ( -6.194 0.000 2.057) 6.527 8.990 ( -2.200 0.000 1.071) 2.446 9.242 ( 7.950 0.000 4.012) 8.905 9.287 ( 0.883 0.000 -2.682) 2.824 9.517 ( 0.394 0.000 1.233) 1.294 9.576 ( -1.792 0.000 -5.293) 5.588 9.698 ( -3.573 0.000 -17.113) 17.482 9.879 ( 4.042 0.000 -5.472) 6.804 9.981 ( -3.838 0.000 -3.539) 5.221 10.073 ( -5.835 0.000 1.306) 5.980 10.158 ( 0.666 0.000 -8.594) 8.620 10.255 ( -1.043 0.000 2.278) 2.506 10.326 ( 9.513 0.000 6.905) 11.755 10.442 ( -0.645 0.000 -2.019) 2.120 10.646 ( 10.924 0.000 1.352) 11.007 10.685 ( -8.042 0.000 -2.441) 8.405 11.007 ( 12.194 0.000 9.312) 15.343 11.386 ( 3.441 0.000 2.513) 4.261 11.817 ( -4.190 0.000 3.398) 5.395 11.945 ( -1.181 0.000 -3.134) 3.349 12.205 ( 9.948 0.000 5.716) 11.474 12.833 ( -4.392 0.000 -0.280) 4.401 12.882 ( -5.390 0.000 -4.442) 6.984 13.015 ( 2.484 0.000 4.225) 4.901 13.051 ( -0.056 0.000 -4.861) 4.861 13.322 ( -4.553 0.000 -1.670) 4.850 13.557 ( 0.415 0.000 -1.345) 1.407 13.636 ( -1.689 0.000 -0.424) 1.741 13.681 ( -2.170 0.000 0.939) 2.365 13.885 ( 10.177 0.000 16.206) 19.137 14.290 ( -10.080 0.000 -0.988) 10.129 14.547 ( -5.899 0.000 8.391) 10.257 14.599 ( -15.727 0.000 -3.843) 16.190 14.724 ( -4.534 0.000 16.829) 17.429 14.851 ( -5.446 0.000 -8.112) 9.771 14.964 ( -2.247 0.000 -10.107) 10.354 15.113 ( 2.748 0.000 4.889) 5.608 15.293 ( -1.825 0.000 -0.826) 2.003 15.589 ( 0.205 0.000 3.409) 3.415 15.723 ( -1.423 0.000 -4.100) 4.340 15.747 ( -4.525 0.000 -1.133) 4.665 15.798 ( 10.510 0.000 -11.606) 15.657 15.981 ( 5.924 0.000 -1.480) 6.106 16.069 ( 6.511 0.000 2.877) 7.118 16.449 ( -0.817 0.000 -1.667) 1.856 19.147 ( 7.984 0.000 4.416) 9.123 19.392 ( 4.356 0.000 5.409) 6.945 19.436 ( -2.442 0.000 -3.057) 3.913 19.747 ( -6.896 0.000 -5.023) 8.532 24.819 ( 1.375 0.000 1.945) 2.382 24.895 ( 3.082 0.000 1.732) 3.535 24.995 ( 0.711 0.000 -0.299) 0.772 25.353 ( -10.665 0.000 18.533) 21.383 26.212 ( 1.516 0.000 1.997) 2.507 26.399 ( -0.491 0.000 -1.522) 1.599 26.606 ( 0.929 0.000 -6.573) 6.638 26.698 ( 0.307 0.000 -0.666) 0.733 27.625 ( -3.213 0.000 5.400) 6.283 27.658 ( -1.588 0.000 -1.098) 1.931 27.760 ( 0.261 0.000 0.539) 0.599 27.820 ( -1.542 0.000 -3.348) 3.686 27.902 ( -0.525 0.000 6.794) 6.814 27.987 ( -1.457 0.000 -1.421) 2.035 28.046 ( -3.645 0.000 12.428) 12.952 28.153 ( -5.071 0.000 -3.470) 6.144 28.313 ( 0.455 0.000 -0.894) 1.003 28.466 ( 3.776 0.000 4.954) 6.229 28.575 ( -5.054 0.000 9.196) 10.494 28.634 ( 1.516 0.000 -0.987) 1.809 28.785 ( -6.455 0.000 -3.659) 7.419 29.011 ( 0.511 0.000 -1.808) 1.879 29.329 ( 2.378 0.000 3.897) 4.565 29.347 ( 1.479 0.000 -2.405) 2.823 29.549 ( 0.387 0.000 -12.194) 12.200 29.815 ( 6.791 0.000 7.253) 9.936 29.871 ( 18.415 0.000 -22.464) 29.047 30.663 ( -5.454 0.000 -5.047) 7.431 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 27.469 0.000 19.112) 33.464 1.546 ( 32.148 0.000 9.775) 33.601 2.291 ( 8.789 0.000 0.424) 8.799 2.484 ( 15.395 0.000 14.876) 21.408 2.801 ( 10.875 0.000 17.652) 20.733 3.015 ( 1.938 0.000 4.277) 4.696 3.224 ( 19.294 0.000 2.426) 19.446 3.347 ( -9.838 0.000 -25.380) 27.220 3.405 ( -3.830 0.000 -7.130) 8.093 3.439 ( -12.577 0.000 -14.049) 18.857 3.489 ( -1.055 0.000 -9.063) 9.124 3.649 ( -11.968 0.000 -3.368) 12.433 3.671 ( 4.988 0.000 1.269) 5.147 3.883 ( 10.997 0.000 -5.786) 12.426 3.984 ( 2.578 0.000 -2.418) 3.534 4.082 ( 8.255 0.000 6.865) 10.737 4.122 ( 4.278 0.000 5.649) 7.086 4.215 ( 1.768 0.000 5.887) 6.147 4.457 ( 11.171 0.000 -5.059) 12.263 4.522 ( 1.131 0.000 -0.398) 1.199 4.571 ( -3.118 0.000 3.775) 4.896 4.721 ( 8.229 0.000 8.225) 11.635 4.740 ( -5.225 0.000 11.216) 12.373 4.849 ( -2.254 0.000 -0.724) 2.368 5.045 ( 5.211 0.000 -2.127) 5.629 5.126 ( 0.294 0.000 -2.145) 2.165 5.160 ( 8.524 0.000 -5.163) 9.966 5.258 ( 0.545 0.000 -1.717) 1.802 5.315 ( 1.738 0.000 5.040) 5.332 5.321 ( 10.224 0.000 2.094) 10.436 5.334 ( 5.375 0.000 0.383) 5.389 5.479 ( -1.983 0.000 -3.439) 3.970 5.520 ( 9.171 0.000 -5.752) 10.826 5.588 ( 2.929 0.000 -1.012) 3.099 5.780 ( -1.476 0.000 -0.305) 1.507 5.785 ( 3.389 0.000 6.842) 7.636 5.893 ( -2.270 0.000 2.387) 3.294 5.930 ( -8.067 0.000 -9.538) 12.493 6.183 ( -5.145 0.000 5.062) 7.217 6.267 ( -8.145 0.000 3.876) 9.021 6.322 ( 1.921 0.000 1.493) 2.433 6.391 ( -3.646 0.000 -3.373) 4.967 6.607 ( 2.146 0.000 -0.849) 2.308 6.630 ( 3.151 0.000 -5.619) 6.442 6.715 ( -1.315 0.000 -5.300) 5.461 6.790 ( -8.079 0.000 -3.927) 8.983 6.992 ( 3.796 0.000 2.846) 4.745 7.012 ( -8.501 0.000 4.759) 9.743 7.118 ( 2.121 0.000 -2.854) 3.555 7.185 ( -8.596 0.000 -1.955) 8.816 7.252 ( -10.635 0.000 -7.561) 13.049 7.295 ( -2.839 0.000 -1.890) 3.410 7.476 ( -4.231 0.000 -0.579) 4.271 7.487 ( 3.879 0.000 -0.226) 3.885 7.553 ( -8.408 0.000 5.176) 9.873 7.568 ( 6.482 0.000 -7.820) 10.157 7.663 ( -3.077 0.000 2.949) 4.262 7.708 ( -2.523 0.000 2.845) 3.803 7.745 ( -6.428 0.000 1.310) 6.560 7.906 ( -0.316 0.000 0.137) 0.344 7.974 ( -6.480 0.000 7.424) 9.854 8.063 ( -1.179 0.000 -1.325) 1.773 8.306 ( -0.680 0.000 -2.103) 2.210 8.336 ( -3.755 0.000 -4.868) 6.148 8.396 ( -4.796 0.000 -6.851) 8.363 8.598 ( -8.133 0.000 -0.923) 8.185 8.764 ( 9.936 0.000 6.965) 12.134 8.983 ( 4.825 0.000 21.790) 22.317 9.023 ( -9.188 0.000 -8.625) 12.602 9.101 ( 9.283 0.000 7.795) 12.122 9.393 ( 3.677 0.000 2.067) 4.218 9.462 ( -4.527 0.000 -4.426) 6.331 9.565 ( 7.689 0.000 -2.315) 8.030 9.590 ( -6.144 0.000 -8.358) 10.373 9.766 ( -7.445 0.000 -3.882) 8.396 9.974 ( 5.920 0.000 -3.975) 7.131 10.004 ( 2.676 0.000 -2.844) 3.905 10.067 ( 1.181 0.000 -1.934) 2.266 10.264 ( -11.173 0.000 -6.925) 13.145 10.397 ( 3.400 0.000 9.445) 10.038 10.576 ( 8.889 0.000 4.811) 10.107 10.716 ( 8.642 0.000 5.792) 10.403 10.875 ( 9.244 0.000 3.668) 9.945 11.253 ( 7.503 0.000 3.527) 8.290 11.507 ( 4.136 0.000 3.718) 5.561 11.675 ( -7.925 0.000 -1.592) 8.083 11.940 ( 0.835 0.000 -3.747) 3.839 12.399 ( 4.423 0.000 2.569) 5.116 12.741 ( -4.567 0.000 -0.075) 4.568 12.812 ( 0.073 0.000 0.666) 0.670 12.943 ( -3.592 0.000 -4.727) 5.937 13.188 ( 8.966 0.000 5.889) 10.727 13.274 ( -1.083 0.000 -0.154) 1.094 13.513 ( -2.204 0.000 -1.932) 2.931 13.603 ( -2.003 0.000 1.044) 2.258 13.612 ( -6.621 0.000 -3.538) 7.507 13.897 ( -19.113 0.000 -10.358) 21.739 14.134 ( 0.681 0.000 8.995) 9.021 14.142 ( -21.891 0.000 -10.176) 24.141 14.472 ( -7.610 0.000 5.162) 9.196 14.721 ( -1.527 0.000 -7.282) 7.441 14.870 ( 7.189 0.000 1.767) 7.403 14.882 ( 0.238 0.000 -3.077) 3.086 15.288 ( 4.389 0.000 13.632) 14.321 15.292 ( 1.948 0.000 1.026) 2.202 15.620 ( -0.520 0.000 -5.834) 5.857 15.673 ( -2.925 0.000 -0.819) 3.037 15.680 ( 1.497 0.000 5.361) 5.566 15.882 ( 7.425 0.000 -3.523) 8.218 16.048 ( 3.983 0.000 -3.419) 5.249 16.203 ( 4.665 0.000 2.775) 5.428 16.395 ( -1.761 0.000 -4.265) 4.614 19.333 ( -4.191 0.000 -4.630) 6.245 19.372 ( 9.369 0.000 5.605) 10.917 19.543 ( -7.488 0.000 -5.626) 9.366 19.553 ( 5.246 0.000 6.716) 8.522 24.877 ( 2.006 0.000 2.795) 3.441 24.985 ( 3.973 0.000 2.154) 4.519 25.003 ( 0.567 0.000 -0.702) 0.902 25.347 ( -5.007 0.000 8.064) 9.491 26.275 ( 1.935 0.000 3.675) 4.153 26.367 ( -0.814 0.000 -2.033) 2.190 26.541 ( -0.295 0.000 -6.716) 6.722 26.696 ( 0.395 0.000 -0.965) 1.043 27.600 ( -2.646 0.000 -2.140) 3.403 27.623 ( -1.529 0.000 2.502) 2.932 27.742 ( -2.206 0.000 -4.251) 4.789 27.770 ( 0.015 0.000 0.809) 0.809 27.911 ( -3.648 0.000 4.070) 5.465 27.946 ( -1.181 0.000 -1.028) 1.566 28.041 ( -3.600 0.000 -2.663) 4.478 28.177 ( 4.945 0.000 5.336) 7.275 28.330 ( 3.102 0.000 0.009) 3.102 28.480 ( -5.921 0.000 -0.111) 5.922 28.570 ( -5.282 0.000 7.917) 9.517 28.664 ( 3.887 0.000 -2.843) 4.816 28.719 ( 2.196 0.000 1.625) 2.732 29.007 ( 0.627 0.000 -0.983) 1.166 29.318 ( -0.616 0.000 -6.950) 6.978 29.445 ( 6.169 0.000 3.381) 7.035 29.450 ( -0.693 0.000 -3.728) 3.792 29.969 ( 7.313 0.000 -4.776) 8.734 29.990 ( 0.502 0.000 8.198) 8.213 30.491 ( -4.212 0.000 -6.837) 8.030 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( 20.032 0.000 5.392) 20.745 2.158 ( 23.981 0.000 19.266) 30.761 2.370 ( -0.748 0.000 -0.665) 1.001 2.621 ( -8.541 0.000 1.364) 8.649 2.772 ( -18.616 0.000 -15.872) 24.464 2.791 ( -4.830 0.000 2.991) 5.681 3.109 ( 6.052 0.000 -8.953) 10.807 3.250 ( 0.498 0.000 -2.272) 2.326 3.262 ( -6.247 0.000 -3.012) 6.935 3.334 ( 0.118 0.000 -6.529) 6.530 3.380 ( -0.731 0.000 -3.897) 3.965 3.549 ( -1.079 0.000 1.689) 2.004 3.797 ( 1.525 0.000 -2.515) 2.941 3.915 ( 0.932 0.000 -3.418) 3.543 4.210 ( 4.173 0.000 3.979) 5.766 4.225 ( 2.756 0.000 2.609) 3.795 4.246 ( 0.963 0.000 0.811) 1.259 4.390 ( -7.503 0.000 0.053) 7.503 4.562 ( 3.810 0.000 1.385) 4.054 4.609 ( 18.108 0.000 18.718) 26.043 4.737 ( 2.749 0.000 4.459) 5.238 4.779 ( 5.717 0.000 12.569) 13.808 4.856 ( 4.994 0.000 0.514) 5.020 4.943 ( 10.970 0.000 -7.164) 13.102 5.034 ( 0.694 0.000 -10.383) 10.407 5.121 ( -8.524 0.000 -4.690) 9.729 5.170 ( 5.803 0.000 4.150) 7.134 5.331 ( 9.123 0.000 1.094) 9.189 5.336 ( -2.468 0.000 0.576) 2.535 5.416 ( -0.429 0.000 1.443) 1.505 5.426 ( -0.739 0.000 -2.566) 2.670 5.477 ( -1.346 0.000 -1.279) 1.857 5.650 ( 13.795 0.000 4.382) 14.474 5.651 ( 4.613 0.000 -4.884) 6.718 5.791 ( 11.211 0.000 -7.775) 13.643 5.822 ( -0.704 0.000 1.415) 1.580 5.830 ( -5.475 0.000 7.875) 9.591 5.973 ( 7.153 0.000 0.207) 7.156 6.078 ( -17.169 0.000 3.725) 17.568 6.124 ( -5.398 0.000 6.615) 8.538 6.255 ( -2.220 0.000 -8.929) 9.201 6.391 ( 2.376 0.000 1.590) 2.859 6.465 ( -18.679 0.000 -9.847) 21.116 6.606 ( -1.256 0.000 -3.356) 3.583 6.636 ( -4.715 0.000 -2.215) 5.209 6.713 ( 2.643 0.000 1.050) 2.844 6.907 ( -6.173 0.000 -3.225) 6.965 6.948 ( -3.240 0.000 5.836) 6.675 6.980 ( -6.878 0.000 -1.541) 7.048 7.105 ( 3.586 0.000 2.395) 4.312 7.174 ( -4.132 0.000 -6.648) 7.828 7.194 ( 5.303 0.000 0.025) 5.303 7.422 ( -2.654 0.000 1.681) 3.142 7.435 ( -3.415 0.000 1.065) 3.577 7.461 ( -0.952 0.000 -8.368) 8.422 7.590 ( 1.511 0.000 1.931) 2.452 7.674 ( 0.004 0.000 0.719) 0.719 7.711 ( -0.546 0.000 2.467) 2.526 7.797 ( 0.860 0.000 2.134) 2.301 7.891 ( -0.894 0.000 0.043) 0.895 7.977 ( 0.355 0.000 8.772) 8.779 8.035 ( -0.322 0.000 -1.282) 1.322 8.178 ( -6.884 0.000 -9.099) 11.409 8.278 ( -0.608 0.000 -0.431) 0.745 8.295 ( -0.397 0.000 1.730) 1.775 8.467 ( -3.385 0.000 -3.310) 4.734 8.967 ( 5.707 0.000 3.401) 6.644 9.012 ( 8.157 0.000 3.730) 8.969 9.130 ( -4.399 0.000 6.071) 7.497 9.239 ( -13.079 0.000 -9.107) 15.937 9.273 ( 4.566 0.000 3.312) 5.641 9.413 ( -1.392 0.000 -3.104) 3.402 9.517 ( -2.325 0.000 -1.078) 2.563 9.618 ( 6.756 0.000 4.106) 7.906 9.785 ( 3.968 0.000 5.087) 6.451 9.958 ( -1.201 0.000 -8.575) 8.659 10.073 ( 2.064 0.000 1.990) 2.867 10.096 ( 2.180 0.000 -1.007) 2.401 10.111 ( -0.187 0.000 0.114) 0.218 10.515 ( 1.236 0.000 4.029) 4.215 10.738 ( 4.192 0.000 1.913) 4.608 10.909 ( 4.765 0.000 2.908) 5.582 11.009 ( 2.399 0.000 1.324) 2.740 11.369 ( 3.073 0.000 1.021) 3.239 11.568 ( -2.380 0.000 -0.907) 2.547 11.571 ( 0.403 0.000 1.034) 1.110 11.890 ( -1.115 0.000 -2.584) 2.814 12.419 ( -0.681 0.000 -0.147) 0.697 12.702 ( -0.398 0.000 1.241) 1.304 12.839 ( 0.588 0.000 1.079) 1.229 12.880 ( -3.088 0.000 0.338) 3.106 13.119 ( -8.951 0.000 -6.428) 11.020 13.410 ( -0.086 0.000 -7.667) 7.668 13.419 ( 9.457 0.000 2.291) 9.731 13.465 ( -0.845 0.000 -0.539) 1.002 13.574 ( -3.724 0.000 1.811) 4.141 13.692 ( -3.320 0.000 0.415) 3.346 13.735 ( -10.670 0.000 -3.711) 11.297 14.112 ( -4.463 0.000 0.207) 4.468 14.435 ( -1.457 0.000 2.406) 2.813 14.640 ( -0.793 0.000 -3.216) 3.312 14.867 ( -0.147 0.000 -0.531) 0.551 14.986 ( 3.339 0.000 1.170) 3.538 15.359 ( 2.528 0.000 1.301) 2.843 15.437 ( -0.519 0.000 5.914) 5.936 15.550 ( 0.635 0.000 -4.231) 4.278 15.618 ( -1.914 0.000 -0.672) 2.028 15.776 ( 1.681 0.000 2.536) 3.043 16.015 ( 5.814 0.000 3.804) 6.948 16.066 ( 1.225 0.000 -1.700) 2.095 16.284 ( 1.738 0.000 1.074) 2.043 16.300 ( -2.609 0.000 -5.075) 5.706 19.216 ( -2.924 0.000 -2.688) 3.972 19.411 ( -2.377 0.000 -1.989) 3.099 19.547 ( 4.002 0.000 2.558) 4.749 19.680 ( 2.326 0.000 3.017) 3.810 24.937 ( 1.337 0.000 1.969) 2.380 24.997 ( -0.196 0.000 -1.017) 1.036 25.060 ( 1.930 0.000 0.954) 2.153 25.339 ( -1.813 0.000 2.536) 3.118 26.338 ( -0.429 0.000 -0.962) 1.053 26.347 ( 1.185 0.000 3.826) 4.006 26.468 ( -0.550 0.000 -5.004) 5.034 26.693 ( 0.150 0.000 -0.489) 0.512 27.540 ( -1.360 0.000 -1.201) 1.814 27.622 ( -0.507 0.000 0.855) 0.994 27.674 ( -1.110 0.000 -1.979) 2.269 27.777 ( -0.031 0.000 0.437) 0.439 27.887 ( -1.381 0.000 0.886) 1.640 27.932 ( 0.101 0.000 0.163) 0.191 27.969 ( -1.778 0.000 -1.460) 2.301 28.245 ( 0.460 0.000 0.505) 0.683 28.375 ( -3.197 0.000 -0.619) 3.256 28.447 ( 6.400 0.000 1.240) 6.519 28.541 ( -4.418 0.000 3.047) 5.367 28.710 ( 1.908 0.000 0.493) 1.971 28.787 ( 1.562 0.000 1.444) 2.127 29.013 ( 0.508 0.000 -0.156) 0.531 29.212 ( -1.865 0.000 -5.031) 5.365 29.437 ( 0.152 0.000 -0.068) 0.167 29.611 ( 7.601 0.000 2.269) 7.932 29.937 ( -8.357 0.000 0.644) 8.381 30.028 ( 2.182 0.000 -0.806) 2.326 30.438 ( 1.409 0.000 -1.298) 1.916 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 0.000 34.091 0.000) 34.091 0.757 ( 0.000 40.060 0.000) 40.060 1.277 ( 0.000 66.209 0.000) 66.209 1.787 ( 0.000 7.267 0.000) 7.267 1.998 ( 0.000 -2.156 0.000) 2.156 2.714 ( 0.000 1.479 0.000) 1.479 2.888 ( 0.000 -12.732 0.000) 12.732 3.269 ( 0.000 -15.118 0.000) 15.118 3.492 ( 0.000 7.950 0.000) 7.950 3.589 ( 0.000 -17.973 0.000) 17.973 3.733 ( 0.000 4.554 0.000) 4.554 3.811 ( 0.000 -0.182 0.000) 0.182 3.881 ( 0.000 2.462 0.000) 2.462 3.899 ( 0.000 2.424 0.000) 2.424 4.025 ( 0.000 -1.331 0.000) 1.331 4.050 ( 0.000 -2.709 0.000) 2.709 4.116 ( 0.000 -1.371 0.000) 1.371 4.237 ( 0.000 -0.244 0.000) 0.244 4.304 ( 0.000 2.429 0.000) 2.429 4.370 ( 0.000 -5.663 0.000) 5.663 4.594 ( 0.000 3.153 0.000) 3.153 4.667 ( 0.000 2.425 0.000) 2.425 4.797 ( 0.000 2.962 0.000) 2.962 4.843 ( 0.000 3.813 0.000) 3.813 4.941 ( 0.000 1.515 0.000) 1.515 4.967 ( 0.000 0.185 0.000) 0.185 5.054 ( 0.000 4.622 0.000) 4.622 5.097 ( 0.000 0.942 0.000) 0.942 5.152 ( 0.000 2.238 0.000) 2.238 5.277 ( 0.000 -9.678 0.000) 9.678 5.336 ( 0.000 -0.986 0.000) 0.986 5.408 ( 0.000 0.214 0.000) 0.214 5.545 ( 0.000 2.942 0.000) 2.942 5.558 ( 0.000 0.190 0.000) 0.190 5.754 ( 0.000 -1.098 0.000) 1.098 5.790 ( 0.000 12.524 0.000) 12.524 5.910 ( 0.000 -4.384 0.000) 4.384 6.113 ( 0.000 -5.284 0.000) 5.284 6.195 ( 0.000 -0.149 0.000) 0.149 6.254 ( 0.000 2.563 0.000) 2.563 6.393 ( 0.000 -7.265 0.000) 7.265 6.453 ( 0.000 4.274 0.000) 4.274 6.470 ( 0.000 -2.060 0.000) 2.060 6.582 ( 0.000 -2.462 0.000) 2.462 6.816 ( 0.000 -1.114 0.000) 1.114 6.824 ( 0.000 3.263 0.000) 3.263 6.984 ( 0.000 -0.968 0.000) 0.968 7.013 ( 0.000 3.967 0.000) 3.967 7.140 ( 0.000 -2.738 0.000) 2.738 7.217 ( 0.000 -4.998 0.000) 4.998 7.258 ( 0.000 -0.917 0.000) 0.917 7.335 ( 0.000 -2.130 0.000) 2.130 7.471 ( 0.000 -8.037 0.000) 8.037 7.495 ( 0.000 1.619 0.000) 1.619 7.627 ( 0.000 6.005 0.000) 6.005 7.701 ( 0.000 -3.887 0.000) 3.887 7.746 ( 0.000 -5.529 0.000) 5.529 7.807 ( 0.000 -4.919 0.000) 4.919 7.953 ( 0.000 1.860 0.000) 1.860 7.995 ( 0.000 1.381 0.000) 1.381 8.237 ( 0.000 2.063 0.000) 2.063 8.245 ( 0.000 -2.210 0.000) 2.210 8.343 ( 0.000 3.998 0.000) 3.998 8.350 ( 0.000 -0.239 0.000) 0.239 8.432 ( 0.000 -4.851 0.000) 4.851 8.692 ( 0.000 5.304 0.000) 5.304 8.730 ( 0.000 -2.075 0.000) 2.075 8.936 ( 0.000 -0.080 0.000) 0.080 9.130 ( 0.000 0.190 0.000) 0.190 9.185 ( 0.000 4.487 0.000) 4.487 9.224 ( 0.000 2.956 0.000) 2.956 9.384 ( 0.000 -2.080 0.000) 2.080 9.613 ( 0.000 -0.577 0.000) 0.577 9.853 ( 0.000 -0.235 0.000) 0.235 9.867 ( 0.000 -3.705 0.000) 3.705 10.000 ( 0.000 -4.557 0.000) 4.557 10.040 ( 0.000 -1.506 0.000) 1.506 10.318 ( 0.000 -2.750 0.000) 2.750 10.373 ( 0.000 11.112 0.000) 11.112 10.483 ( 0.000 3.437 0.000) 3.437 10.556 ( 0.000 0.613 0.000) 0.613 10.680 ( 0.000 -2.308 0.000) 2.308 10.761 ( 0.000 -1.738 0.000) 1.738 11.120 ( 0.000 -9.131 0.000) 9.131 11.417 ( 0.000 5.245 0.000) 5.245 11.833 ( 0.000 2.694 0.000) 2.694 11.975 ( 0.000 -0.946 0.000) 0.946 12.087 ( 0.000 -6.186 0.000) 6.186 12.873 ( 0.000 -0.677 0.000) 0.677 12.907 ( 0.000 -0.460 0.000) 0.460 13.001 ( 0.000 1.148 0.000) 1.148 13.187 ( 0.000 -1.215 0.000) 1.215 13.195 ( 0.000 0.388 0.000) 0.388 13.278 ( 0.000 -7.682 0.000) 7.682 13.628 ( 0.000 7.574 0.000) 7.574 13.662 ( 0.000 -0.603 0.000) 0.603 13.665 ( 0.000 -0.652 0.000) 0.652 13.695 ( 0.000 0.119 0.000) 0.119 14.360 ( 0.000 1.001 0.000) 1.001 14.471 ( 0.000 -4.163 0.000) 4.163 14.818 ( 0.000 3.618 0.000) 3.618 14.965 ( 0.000 -3.436 0.000) 3.436 15.094 ( 0.000 3.927 0.000) 3.927 15.122 ( 0.000 4.028 0.000) 4.028 15.311 ( 0.000 4.383 0.000) 4.383 15.487 ( 0.000 -2.704 0.000) 2.704 15.581 ( 0.000 0.832 0.000) 0.832 15.768 ( 0.000 -4.976 0.000) 4.976 15.787 ( 0.000 2.245 0.000) 2.245 15.890 ( 0.000 -2.283 0.000) 2.283 15.984 ( 0.000 4.119 0.000) 4.119 16.085 ( 0.000 -0.323 0.000) 0.323 19.285 ( 0.000 0.279 0.000) 0.279 19.317 ( 0.000 -0.209 0.000) 0.209 19.508 ( 0.000 3.285 0.000) 3.285 19.823 ( 0.000 -1.813 0.000) 1.813 24.796 ( 0.000 0.140 0.000) 0.140 24.826 ( 0.000 -0.272 0.000) 0.272 24.863 ( 0.000 0.864 0.000) 0.864 24.980 ( 0.000 -0.908 0.000) 0.908 26.201 ( 0.000 1.503 0.000) 1.503 26.386 ( 0.000 -2.332 0.000) 2.332 26.620 ( 0.000 2.576 0.000) 2.576 26.819 ( 0.000 -1.250 0.000) 1.250 27.471 ( 0.000 2.718 0.000) 2.718 27.711 ( 0.000 -1.893 0.000) 1.893 27.769 ( 0.000 1.523 0.000) 1.523 27.801 ( 0.000 -0.113 0.000) 0.113 27.865 ( 0.000 1.088 0.000) 1.088 27.866 ( 0.000 0.842 0.000) 0.842 28.075 ( 0.000 -1.406 0.000) 1.406 28.123 ( 0.000 1.809 0.000) 1.809 28.262 ( 0.000 -4.996 0.000) 4.996 28.345 ( 0.000 -1.351 0.000) 1.351 28.458 ( 0.000 1.998 0.000) 1.998 28.614 ( 0.000 4.404 0.000) 4.404 28.786 ( 0.000 -3.807 0.000) 3.807 29.054 ( 0.000 3.101 0.000) 3.101 29.238 ( 0.000 0.822 0.000) 0.822 29.312 ( 0.000 -8.089 0.000) 8.089 29.651 ( 0.000 2.273 0.000) 2.273 29.733 ( 0.000 2.898 0.000) 2.898 30.743 ( 0.000 0.058 0.000) 0.058 30.912 ( 0.000 -2.470 0.000) 2.470 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.14 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 23.392 25.751 11.171) 36.539 1.252 ( 23.831 33.503 12.049) 42.844 1.800 ( 37.591 22.593 23.770) 49.885 2.073 ( 19.892 8.782 13.747) 25.726 2.128 ( 14.145 1.220 4.849) 15.003 2.851 ( 8.358 2.076 6.366) 10.709 3.072 ( 10.509 -17.419 -5.059) 20.963 3.347 ( -1.673 -10.012 3.955) 10.894 3.390 ( -0.576 -12.312 -4.138) 13.002 3.589 ( -1.601 -2.229 -8.468) 8.901 3.700 ( -11.349 -0.964 -1.974) 11.560 3.766 ( 1.974 5.264 8.784) 10.429 3.826 ( 8.892 -5.668 -4.134) 11.326 3.895 ( -3.924 2.537 -11.388) 12.309 3.981 ( -9.466 -3.142 -4.386) 10.896 4.077 ( 7.063 1.059 -6.367) 9.568 4.120 ( 2.093 4.826 -5.832) 7.854 4.165 ( -5.476 3.668 -2.659) 7.107 4.319 ( 4.482 0.283 -2.990) 5.395 4.398 ( 3.391 -4.763 8.137) 10.020 4.492 ( -0.743 0.508 -0.771) 1.185 4.600 ( -4.658 -4.759 1.222) 6.771 4.813 ( -8.688 -1.455 4.491) 9.887 4.859 ( 0.451 0.114 -0.555) 0.724 5.000 ( 1.613 -1.393 -2.437) 3.238 5.050 ( 1.016 -2.911 5.048) 5.915 5.079 ( 5.651 4.396 -0.571) 7.182 5.151 ( 5.189 7.808 -3.016) 9.849 5.240 ( 12.044 7.671 10.826) 17.919 5.270 ( 0.852 -5.088 -2.039) 5.547 5.352 ( 3.435 -4.660 -1.188) 5.910 5.460 ( 1.859 3.868 2.889) 5.174 5.525 ( -0.675 8.884 -0.515) 8.925 5.646 ( 2.660 2.761 0.067) 3.834 5.713 ( 0.852 6.403 -2.276) 6.848 5.791 ( 1.974 1.236 -1.067) 2.562 5.914 ( 1.009 -5.073 -3.347) 6.161 6.169 ( -1.460 -6.131 2.190) 6.672 6.202 ( -1.078 2.177 -0.742) 2.540 6.313 ( -8.223 -2.938 -3.734) 9.497 6.351 ( 2.311 -7.515 0.296) 7.868 6.391 ( -5.528 0.345 6.360) 8.434 6.494 ( 10.075 -7.895 -0.717) 12.820 6.564 ( 0.168 3.513 -6.694) 7.561 6.777 ( -0.894 1.593 -1.656) 2.466 6.892 ( -1.471 0.286 2.517) 2.930 6.934 ( -1.916 1.658 -5.293) 5.868 7.020 ( -1.375 -6.721 8.117) 10.628 7.120 ( -3.367 -1.729 0.253) 3.793 7.210 ( -0.348 -2.348 -1.291) 2.702 7.231 ( -4.464 -2.563 4.088) 6.574 7.317 ( -1.143 -1.342 -1.071) 2.062 7.386 ( 3.303 -1.337 1.611) 3.911 7.537 ( -2.206 -4.912 -3.274) 6.302 7.645 ( 4.041 2.821 -9.920) 11.077 7.693 ( 2.628 3.463 4.365) 6.161 7.707 ( -2.840 -3.362 2.792) 5.213 7.885 ( -4.407 2.579 -3.072) 5.959 7.916 ( -5.115 -0.863 -2.494) 5.756 7.971 ( -9.280 6.571 18.666) 21.856 8.066 ( -8.888 3.125 -0.649) 9.444 8.194 ( 1.156 2.066 -9.343) 9.639 8.380 ( 1.371 -4.823 -1.696) 5.294 8.409 ( -2.954 0.240 -4.140) 5.092 8.499 ( -1.853 0.939 3.408) 3.992 8.561 ( 4.709 -0.303 -0.393) 4.735 8.677 ( -7.108 4.338 -4.520) 9.475 8.754 ( -2.782 4.258 5.832) 7.738 9.044 ( -4.810 4.117 -0.020) 6.331 9.226 ( 7.045 -1.150 4.088) 8.226 9.274 ( -2.961 -1.326 -3.403) 4.702 9.514 ( 1.135 -0.144 -0.047) 1.145 9.584 ( -0.193 -0.808 -0.203) 0.855 9.716 ( -9.886 -1.215 -12.479) 15.967 9.854 ( 7.565 1.274 -8.792) 11.669 9.989 ( -2.381 0.461 -1.399) 2.800 10.046 ( 0.773 -2.003 3.879) 4.433 10.235 ( -0.544 -1.123 6.464) 6.584 10.295 ( -14.020 8.850 -12.969) 21.049 10.384 ( 5.759 4.981 1.478) 7.756 10.482 ( -5.033 3.474 -6.434) 8.877 10.618 ( -4.407 -3.637 -4.433) 7.232 10.723 ( 3.665 4.489 1.413) 5.965 10.949 ( 10.949 -5.132 8.307) 14.671 11.445 ( 3.864 5.683 1.461) 7.025 11.783 ( -2.335 -2.423 3.157) 4.614 11.929 ( -2.665 -1.517 -2.175) 3.760 12.156 ( 8.853 -5.053 4.210) 11.029 12.789 ( -4.732 -2.889 -2.528) 6.093 12.896 ( -2.145 -6.856 0.630) 7.212 12.943 ( -2.091 4.052 -1.991) 4.975 13.130 ( 1.141 3.396 -0.508) 3.618 13.323 ( -1.556 1.000 1.302) 2.262 13.596 ( -2.101 2.463 -3.564) 4.815 13.620 ( -2.031 -1.890 1.134) 2.997 13.666 ( -1.239 -1.480 -0.207) 1.941 13.888 ( 10.451 0.211 16.362) 19.416 14.201 ( -0.649 -13.332 15.059) 20.123 14.415 ( -0.867 -8.353 10.307) 13.295 14.479 ( -4.759 -5.918 -0.233) 7.597 14.724 ( -4.017 1.828 -3.679) 5.745 14.855 ( -1.779 -2.154 -6.126) 6.733 15.027 ( -0.388 4.225 -9.023) 9.971 15.152 ( -0.495 4.276 8.142) 9.210 15.241 ( 0.304 -2.347 -1.074) 2.599 15.561 ( 2.082 -5.923 1.148) 6.382 15.596 ( 3.101 -2.287 -2.674) 4.690 15.737 ( -0.197 1.063 -5.523) 5.628 15.813 ( 4.343 0.670 -1.900) 4.788 15.960 ( 5.962 -2.104 0.249) 6.327 16.079 ( 5.568 1.227 1.841) 5.992 16.283 ( 9.755 -6.917 6.404) 13.565 19.217 ( 0.377 4.667 -0.254) 4.690 19.375 ( 1.901 -0.669 2.562) 3.260 19.468 ( 0.368 2.110 -0.594) 2.223 19.726 ( -6.918 -2.097 -5.153) 8.877 24.830 ( 1.397 1.050 1.886) 2.572 24.888 ( 2.980 -0.652 2.030) 3.664 24.972 ( 1.075 -2.614 0.779) 2.932 25.119 ( 4.978 -11.827 13.863) 18.890 26.217 ( 1.577 1.033 0.663) 1.998 26.388 ( 0.324 -1.946 -1.208) 2.313 26.599 ( -0.336 1.784 -3.296) 3.763 26.759 ( -1.725 1.904 -2.805) 3.804 27.594 ( 1.738 -0.502 6.035) 6.300 27.680 ( -1.604 0.773 -1.425) 2.280 27.771 ( -0.278 1.052 0.429) 1.169 27.824 ( -0.793 0.439 -2.445) 2.608 27.871 ( -0.784 -1.977 2.636) 3.387 27.957 ( 4.403 -4.012 8.452) 10.340 28.029 ( -3.492 1.166 0.980) 3.810 28.152 ( 1.958 0.595 -3.961) 4.459 28.262 ( 0.355 -4.724 -0.417) 4.756 28.373 ( 1.518 -4.412 5.442) 7.169 28.527 ( 5.882 -1.342 -0.422) 6.048 28.631 ( -0.025 4.460 3.119) 5.443 28.815 ( 4.341 -5.170 -2.767) 7.296 28.911 ( -8.964 4.814 -3.857) 10.881 29.265 ( 0.833 -4.992 2.744) 5.757 29.299 ( -0.065 -4.775 -1.884) 5.134 29.727 ( 1.355 4.636 6.789) 8.332 29.844 ( 6.580 2.437 6.570) 9.612 30.341 ( -17.039 24.556 -28.541) 41.327 30.655 ( -5.936 -0.703 -5.414) 8.065 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.29 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 24.329 14.746 14.883) 32.107 1.775 ( 23.076 22.592 8.042) 33.280 2.280 ( 8.484 -0.710 0.777) 8.549 2.487 ( 16.513 0.966 13.905) 21.610 2.715 ( 1.542 -8.111 9.945) 12.925 3.068 ( -1.437 1.649 0.005) 2.187 3.198 ( 9.605 -8.649 -3.200) 13.316 3.269 ( 10.202 3.148 -4.707) 11.669 3.389 ( -3.896 -7.271 -7.033) 10.840 3.482 ( -7.473 4.649 -11.850) 14.761 3.533 ( -8.857 4.306 -3.412) 10.422 3.579 ( 2.150 -0.344 -2.313) 3.176 3.666 ( -0.789 -1.225 -1.873) 2.373 3.908 ( -1.774 -8.068 2.259) 8.564 3.995 ( 9.367 5.623 3.820) 11.574 4.038 ( 4.515 -2.631 -6.944) 8.691 4.154 ( 1.648 4.407 4.859) 6.763 4.222 ( 2.885 2.113 0.777) 3.659 4.399 ( 5.262 -6.160 -6.188) 10.194 4.503 ( 8.085 0.038 5.221) 9.624 4.566 ( 3.182 2.191 1.808) 4.265 4.659 ( 6.802 -4.073 4.582) 9.157 4.744 ( -3.769 -4.426 9.018) 10.729 4.849 ( 1.230 -5.369 -0.845) 5.573 5.005 ( 4.409 -4.395 -2.696) 6.784 5.064 ( -0.021 3.566 -5.923) 6.913 5.164 ( 1.237 -2.990 -4.466) 5.515 5.210 ( 7.458 -3.751 1.975) 8.579 5.317 ( -3.170 2.457 -3.324) 5.210 5.335 ( 7.255 0.795 2.764) 7.804 5.436 ( -5.441 2.226 -1.920) 6.184 5.560 ( 5.769 6.422 -3.027) 9.148 5.589 ( 1.391 5.379 4.751) 7.310 5.639 ( 5.234 7.422 8.610) 12.515 5.731 ( -0.190 -0.945 -5.134) 5.224 5.795 ( 2.313 3.820 -3.037) 5.401 5.959 ( 8.448 4.593 -2.711) 9.991 6.070 ( -6.117 9.166 4.202) 11.794 6.210 ( -3.954 2.023 4.227) 6.132 6.272 ( -1.745 -1.407 4.216) 4.775 6.317 ( -2.509 -0.444 1.021) 2.745 6.399 ( 1.987 -1.505 -2.543) 3.560 6.482 ( 0.827 -0.480 -3.932) 4.046 6.612 ( 2.796 -5.387 -3.337) 6.927 6.699 ( -1.627 0.720 -6.652) 6.886 6.817 ( -4.951 0.096 -2.761) 5.669 6.898 ( -5.305 -5.134 7.272) 10.362 7.004 ( -7.608 -3.328 5.006) 9.696 7.070 ( 2.929 1.160 -2.887) 4.273 7.175 ( -3.460 -4.341 -0.526) 5.576 7.248 ( 1.342 -1.104 -1.440) 2.257 7.312 ( -1.283 0.841 -2.011) 2.529 7.388 ( -3.554 -3.618 -5.870) 7.757 7.461 ( -2.976 -2.179 -2.077) 4.233 7.579 ( -9.721 1.053 3.421) 10.359 7.658 ( 0.398 4.202 -1.187) 4.385 7.706 ( -4.900 -0.046 -3.320) 5.919 7.759 ( -0.267 4.869 -0.692) 4.925 7.795 ( -2.305 3.583 -0.655) 4.310 7.950 ( -2.943 3.595 3.223) 5.654 8.012 ( -5.907 4.410 10.051) 12.465 8.094 ( -3.741 4.298 -3.920) 6.916 8.288 ( -2.005 -1.205 -4.529) 5.097 8.325 ( -2.367 -2.182 -4.132) 5.238 8.397 ( -5.958 0.466 -6.482) 8.817 8.558 ( -6.600 -2.793 0.316) 7.174 8.730 ( 10.660 -3.964 5.915) 12.819 8.960 ( -2.495 -3.220 6.367) 7.559 9.029 ( -2.241 1.202 4.733) 5.373 9.076 ( 5.783 -2.255 3.504) 7.128 9.411 ( 3.166 -8.619 -3.570) 9.852 9.446 ( 2.912 4.780 2.758) 6.240 9.489 ( -4.709 2.781 -2.459) 5.996 9.647 ( -2.205 0.435 -2.975) 3.728 9.832 ( -8.212 5.778 -6.900) 12.183 9.933 ( 4.874 -3.620 -5.643) 8.289 10.018 ( 0.063 -0.964 -4.348) 4.454 10.074 ( 0.626 2.054 2.528) 3.316 10.256 ( -10.989 -0.509 -6.903) 12.987 10.362 ( 2.135 -3.322 9.996) 10.748 10.578 ( 8.350 0.187 3.758) 9.159 10.701 ( 11.544 -2.285 5.689) 13.071 10.865 ( 5.939 0.251 2.497) 6.447 11.180 ( 7.374 -6.562 3.785) 10.572 11.556 ( 4.290 4.109 2.351) 6.388 11.676 ( -6.210 0.255 -1.244) 6.338 11.921 ( 0.556 -1.479 -2.220) 2.725 12.329 ( 3.800 -6.956 2.380) 8.276 12.720 ( -1.447 -1.471 -0.223) 2.076 12.828 ( -3.383 -1.923 1.488) 4.166 12.909 ( -0.258 0.648 -3.819) 3.883 13.179 ( 1.875 -0.804 2.504) 3.230 13.328 ( 0.735 3.948 2.384) 4.670 13.500 ( -3.768 -0.875 -4.037) 5.591 13.588 ( -2.298 -1.267 1.387) 2.968 13.619 ( -3.420 0.120 -3.145) 4.647 13.897 ( -18.684 0.263 -10.861) 21.613 14.075 ( -12.882 -3.494 -3.147) 13.714 14.184 ( -6.630 1.968 2.593) 7.386 14.409 ( -5.578 -5.070 4.956) 9.021 14.737 ( 1.406 1.616 -3.686) 4.264 14.849 ( 3.213 0.148 0.584) 3.269 14.995 ( 3.364 7.365 -1.989) 8.338 15.249 ( 4.101 -2.584 3.764) 6.136 15.332 ( 2.121 2.551 10.061) 10.594 15.587 ( 0.635 -7.175 0.354) 7.212 15.642 ( 0.798 1.825 -3.812) 4.301 15.663 ( -0.079 -0.922 1.046) 1.396 15.904 ( 7.483 2.233 -1.742) 8.001 16.048 ( 4.304 -0.536 -2.245) 4.884 16.187 ( 3.889 -1.003 1.894) 4.441 16.393 ( 0.846 -0.692 -1.769) 2.079 19.265 ( 0.072 -3.482 -1.248) 3.700 19.397 ( 1.596 0.138 0.986) 1.881 19.533 ( -5.012 -0.536 -4.191) 6.556 19.572 ( 4.929 1.083 5.354) 7.358 24.886 ( 1.918 0.898 2.593) 3.348 24.977 ( 3.456 -0.792 2.352) 4.255 24.990 ( 1.034 -1.139 -0.300) 1.567 25.253 ( -0.790 -7.934 7.456) 10.916 26.267 ( 2.054 -0.182 2.027) 2.891 26.369 ( -0.523 -0.757 -1.683) 1.918 26.547 ( -0.496 1.710 -4.841) 5.158 26.719 ( -0.326 1.160 -1.841) 2.201 27.619 ( -2.087 1.940 -1.941) 3.448 27.641 ( -0.972 1.783 2.092) 2.916 27.739 ( -1.899 0.203 -2.952) 3.516 27.797 ( -0.176 2.283 0.148) 2.295 27.865 ( -1.936 -2.669 1.682) 3.702 27.975 ( -2.251 0.354 0.750) 2.399 28.049 ( -0.880 0.894 -1.713) 2.123 28.180 ( 1.939 -0.669 3.268) 3.858 28.293 ( 4.234 -2.104 1.932) 5.108 28.427 ( -1.398 -3.699 2.738) 4.810 28.625 ( 5.154 -2.402 -0.956) 5.766 28.645 ( -4.932 5.198 5.295) 8.910 28.761 ( -1.706 3.900 -0.871) 4.345 28.877 ( 3.985 -6.679 -1.940) 8.016 29.276 ( 1.476 -6.070 -1.959) 6.547 29.342 ( 2.309 -6.620 3.099) 7.666 29.693 ( -7.022 15.022 -3.131) 16.875 30.000 ( 0.799 2.136 3.205) 3.934 30.064 ( 3.878 7.602 -4.388) 9.596 30.471 ( -4.532 -2.073 -7.029) 8.616 ======================= Grid point 10 (8/72) ======================= q-point: ( 0.43 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 15.913 5.054 5.129) 17.466 2.196 ( 11.659 0.855 8.255) 14.311 2.402 ( 4.295 4.779 5.250) 8.297 2.630 ( -3.723 -0.063 1.365) 3.966 2.726 ( -6.424 1.959 0.683) 6.751 2.904 ( -8.794 6.445 -6.206) 12.546 3.066 ( 3.490 -3.724 -11.690) 12.755 3.239 ( 0.399 -2.515 -0.960) 2.721 3.276 ( -1.006 -3.408 -4.671) 5.869 3.296 ( -5.875 -0.142 -4.654) 7.496 3.396 ( -1.714 6.545 -4.488) 8.119 3.558 ( 0.115 1.431 1.105) 1.812 3.744 ( -3.105 -3.160 -0.088) 4.431 4.013 ( 2.419 -0.005 -1.561) 2.879 4.153 ( -0.520 0.983 3.633) 3.799 4.189 ( 6.609 -5.284 4.376) 9.526 4.215 ( 3.388 -2.792 -1.420) 4.614 4.365 ( 1.403 -3.827 -0.092) 4.077 4.455 ( 3.508 -9.076 12.106) 15.532 4.552 ( 0.072 -6.074 -0.324) 6.083 4.694 ( 2.291 1.611 3.394) 4.400 4.727 ( 1.961 -4.086 3.476) 5.712 4.883 ( 4.272 -5.866 -5.305) 8.989 4.964 ( 11.522 0.057 -4.432) 12.345 5.061 ( 5.206 2.706 -2.471) 6.366 5.070 ( 3.385 -4.943 1.452) 6.165 5.175 ( -6.494 2.197 -0.028) 6.855 5.266 ( 7.190 1.761 1.973) 7.661 5.288 ( 4.092 -0.811 3.397) 5.380 5.400 ( 4.537 -2.298 6.352) 8.137 5.496 ( -0.163 -0.204 -0.787) 0.829 5.537 ( -4.715 6.472 -4.846) 9.359 5.641 ( 7.941 -3.616 2.778) 9.157 5.744 ( 7.293 3.025 1.798) 8.097 5.788 ( 3.701 10.008 -6.048) 12.266 5.860 ( 4.308 6.894 0.566) 8.149 6.018 ( -4.620 11.860 5.261) 13.772 6.047 ( -4.310 5.995 -2.173) 7.697 6.175 ( -3.948 4.577 7.567) 9.685 6.196 ( -2.121 9.591 2.759) 10.203 6.302 ( -1.642 3.380 -8.708) 9.484 6.357 ( -0.031 0.971 -1.555) 1.834 6.499 ( -10.268 2.969 -5.614) 12.073 6.532 ( 2.814 -4.079 -1.565) 5.197 6.636 ( -2.770 -2.571 -2.012) 4.282 6.665 ( -4.655 -2.059 -0.880) 5.166 6.879 ( -1.547 -3.907 4.487) 6.148 6.961 ( -2.467 2.534 3.967) 5.315 7.013 ( -10.093 4.815 -3.809) 11.813 7.092 ( -2.343 -3.258 -0.802) 4.092 7.154 ( 6.822 -1.231 -3.841) 7.925 7.261 ( 0.614 0.774 -3.203) 3.352 7.348 ( -0.762 -8.367 -2.909) 8.891 7.387 ( -4.277 -2.446 0.315) 4.937 7.465 ( -2.257 2.943 2.236) 4.331 7.559 ( -3.186 0.419 -0.168) 3.218 7.747 ( 3.961 2.962 -1.583) 5.193 7.761 ( 0.520 3.053 -1.265) 3.345 7.817 ( 0.548 3.270 1.392) 3.596 7.934 ( 1.283 -0.860 -0.673) 1.685 7.988 ( -6.333 5.504 8.285) 11.792 8.058 ( -0.643 0.973 4.193) 4.352 8.158 ( -4.653 -1.617 -9.500) 10.701 8.228 ( -1.570 -3.896 -1.795) 4.568 8.304 ( -1.129 0.725 0.407) 1.403 8.470 ( -1.961 0.559 -1.790) 2.713 8.922 ( 4.040 -4.419 1.790) 6.250 8.964 ( 5.726 -4.531 2.566) 7.739 9.146 ( -3.186 1.903 3.139) 4.861 9.161 ( 1.043 -8.592 3.794) 9.450 9.294 ( -6.173 3.153 -5.710) 8.980 9.434 ( 0.706 0.856 1.437) 1.816 9.561 ( -2.444 3.137 -2.884) 4.913 9.627 ( 5.433 0.848 4.014) 6.808 9.716 ( 1.453 -7.916 1.192) 8.136 9.874 ( -2.752 -3.765 -6.241) 7.791 10.069 ( 2.855 -1.276 -0.242) 3.136 10.097 ( -0.148 -1.468 -0.603) 1.594 10.138 ( 0.875 3.585 1.843) 4.125 10.468 ( 0.383 -5.329 4.457) 6.957 10.735 ( 4.311 -0.129 1.653) 4.619 10.878 ( 1.525 -1.821 1.444) 2.780 11.000 ( 6.002 -1.144 2.478) 6.594 11.301 ( 2.891 -6.604 1.223) 7.312 11.587 ( -0.713 2.346 -0.579) 2.519 11.641 ( 1.124 5.784 1.064) 5.987 11.870 ( -2.111 -1.615 -2.367) 3.559 12.337 ( -1.461 -7.995 -0.262) 8.131 12.712 ( 0.271 0.678 0.746) 1.043 12.814 ( -1.484 -4.289 2.015) 4.966 12.896 ( -0.130 3.518 -0.314) 3.534 13.099 ( -7.787 -1.929 -4.575) 9.235 13.292 ( -1.161 -6.597 -4.934) 8.320 13.434 ( -0.758 -2.353 -2.015) 3.189 13.503 ( -0.375 2.850 -1.291) 3.152 13.586 ( 1.630 1.625 -0.137) 2.306 13.701 ( -1.752 0.534 0.465) 1.890 13.748 ( -8.891 1.010 -1.685) 9.106 14.133 ( -4.511 2.084 0.133) 4.971 14.375 ( -1.577 -4.394 1.324) 4.853 14.704 ( -0.350 5.094 -1.725) 5.389 14.889 ( 0.646 2.019 0.198) 2.129 15.076 ( 3.313 8.096 1.280) 8.840 15.350 ( 2.429 -0.947 0.963) 2.779 15.432 ( 0.230 -0.886 7.354) 7.410 15.536 ( -2.025 -0.184 -7.242) 7.522 15.636 ( 1.574 0.943 2.225) 2.884 15.712 ( 0.445 -4.682 0.774) 4.767 16.046 ( 4.261 0.980 3.244) 5.445 16.085 ( 3.173 2.395 -0.927) 4.082 16.250 ( 1.362 -2.653 0.692) 3.062 16.336 ( -2.229 2.952 -4.001) 5.449 19.200 ( -2.232 -1.473 -2.219) 3.475 19.350 ( -2.046 -5.276 -1.595) 5.879 19.567 ( 2.989 1.803 1.998) 4.022 19.689 ( 2.303 0.481 2.638) 3.534 24.941 ( 1.209 0.452 1.766) 2.188 24.990 ( -0.055 -0.663 -0.720) 0.981 25.050 ( 1.762 -0.805 0.988) 2.175 25.284 ( -0.748 -5.122 2.375) 5.696 26.319 ( 1.124 -1.082 1.442) 2.124 26.346 ( -0.500 -0.828 -0.472) 1.076 26.494 ( -0.344 2.922 -2.983) 4.190 26.703 ( -0.022 0.455 -0.709) 0.843 27.563 ( -1.277 2.292 -1.236) 2.900 27.644 ( -0.366 2.126 0.711) 2.271 27.681 ( -1.049 0.705 -1.756) 2.163 27.801 ( -0.064 2.411 0.533) 2.470 27.847 ( -0.904 -2.562 0.380) 2.743 27.964 ( 0.024 1.669 1.078) 1.987 27.997 ( -1.529 2.488 -2.005) 3.542 28.199 ( -0.348 -4.151 0.196) 4.170 28.376 ( -0.720 0.699 0.638) 1.190 28.459 ( 4.299 -0.272 1.428) 4.538 28.601 ( -3.425 6.224 3.084) 7.744 28.696 ( 2.939 -1.572 0.621) 3.390 28.757 ( -0.559 -2.900 -0.450) 2.988 28.916 ( 1.399 -3.578 -0.276) 3.852 29.297 ( 2.261 -0.766 -1.053) 2.609 29.366 ( -2.318 -5.283 0.075) 5.770 29.613 ( 2.478 3.294 -1.045) 4.252 29.946 ( -6.297 0.875 -0.429) 6.372 30.098 ( 1.378 5.913 -0.193) 6.075 30.421 ( 1.598 -1.709 -0.998) 2.544 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.000 27.909 0.000) 27.909 1.497 ( 0.000 38.191 0.000) 38.191 1.901 ( 0.000 -5.816 0.000) 5.816 1.965 ( 0.000 10.788 0.000) 10.788 2.488 ( 0.000 57.816 0.000) 57.816 2.614 ( 0.000 -15.528 0.000) 15.528 2.769 ( 0.000 4.804 0.000) 4.804 2.892 ( 0.000 -24.966 0.000) 24.966 3.199 ( 0.000 -19.310 0.000) 19.310 3.631 ( 0.000 6.383 0.000) 6.383 3.744 ( 0.000 -5.987 0.000) 5.987 3.779 ( 0.000 -0.821 0.000) 0.821 3.925 ( 0.000 1.445 0.000) 1.445 3.936 ( 0.000 1.529 0.000) 1.529 3.986 ( 0.000 -3.295 0.000) 3.295 4.028 ( 0.000 2.452 0.000) 2.452 4.106 ( 0.000 -0.475 0.000) 0.475 4.255 ( 0.000 -6.567 0.000) 6.567 4.360 ( 0.000 1.645 0.000) 1.645 4.367 ( 0.000 4.051 0.000) 4.051 4.597 ( 0.000 -2.595 0.000) 2.595 4.638 ( 0.000 3.329 0.000) 3.329 4.804 ( 0.000 -3.755 0.000) 3.755 4.894 ( 0.000 -2.288 0.000) 2.288 4.936 ( 0.000 -2.056 0.000) 2.056 4.979 ( 0.000 3.239 0.000) 3.239 5.084 ( 0.000 3.113 0.000) 3.113 5.104 ( 0.000 -5.374 0.000) 5.374 5.142 ( 0.000 4.024 0.000) 4.024 5.256 ( 0.000 4.706 0.000) 4.706 5.402 ( 0.000 -1.815 0.000) 1.815 5.404 ( 0.000 -3.716 0.000) 3.716 5.511 ( 0.000 1.113 0.000) 1.113 5.643 ( 0.000 8.382 0.000) 8.382 5.669 ( 0.000 -3.888 0.000) 3.888 5.904 ( 0.000 1.764 0.000) 1.764 5.936 ( 0.000 -10.152 0.000) 10.152 5.938 ( 0.000 0.348 0.000) 0.348 6.185 ( 0.000 -2.288 0.000) 2.288 6.196 ( 0.000 -0.063 0.000) 0.063 6.398 ( 0.000 -3.791 0.000) 3.791 6.504 ( 0.000 9.675 0.000) 9.675 6.535 ( 0.000 -1.148 0.000) 1.148 6.571 ( 0.000 6.752 0.000) 6.752 6.772 ( 0.000 -1.428 0.000) 1.428 6.914 ( 0.000 -0.000 0.000) 0.000 6.930 ( 0.000 5.963 0.000) 5.963 7.070 ( 0.000 -6.077 0.000) 6.077 7.110 ( 0.000 -0.800 0.000) 0.800 7.157 ( 0.000 -0.291 0.000) 0.291 7.259 ( 0.000 -12.173 0.000) 12.173 7.300 ( 0.000 0.068 0.000) 0.068 7.311 ( 0.000 6.212 0.000) 6.212 7.426 ( 0.000 -4.637 0.000) 4.637 7.581 ( 0.000 -9.942 0.000) 9.942 7.669 ( 0.000 -3.823 0.000) 3.823 7.755 ( 0.000 6.453 0.000) 6.453 7.815 ( 0.000 4.904 0.000) 4.904 7.975 ( 0.000 -2.792 0.000) 2.792 7.981 ( 0.000 0.394 0.000) 0.394 8.203 ( 0.000 -2.197 0.000) 2.197 8.214 ( 0.000 -3.266 0.000) 3.266 8.298 ( 0.000 -4.111 0.000) 4.111 8.328 ( 0.000 -2.112 0.000) 2.112 8.489 ( 0.000 7.012 0.000) 7.012 8.681 ( 0.000 -3.074 0.000) 3.074 8.795 ( 0.000 4.701 0.000) 4.701 8.920 ( 0.000 -1.916 0.000) 1.916 9.149 ( 0.000 2.102 0.000) 2.102 9.274 ( 0.000 -0.314 0.000) 0.314 9.287 ( 0.000 5.527 0.000) 5.527 9.342 ( 0.000 0.110 0.000) 0.110 9.632 ( 0.000 1.906 0.000) 1.906 9.796 ( 0.000 -1.566 0.000) 1.566 9.801 ( 0.000 -5.761 0.000) 5.761 9.909 ( 0.000 -4.326 0.000) 4.326 10.078 ( 0.000 4.264 0.000) 4.264 10.262 ( 0.000 -3.604 0.000) 3.604 10.548 ( 0.000 3.605 0.000) 3.605 10.567 ( 0.000 8.987 0.000) 8.987 10.570 ( 0.000 0.924 0.000) 0.924 10.635 ( 0.000 -2.112 0.000) 2.112 10.716 ( 0.000 -2.629 0.000) 2.629 10.928 ( 0.000 -10.250 0.000) 10.250 11.552 ( 0.000 8.810 0.000) 8.810 11.875 ( 0.000 0.829 0.000) 0.829 11.936 ( 0.000 -8.559 0.000) 8.559 11.950 ( 0.000 -1.655 0.000) 1.655 12.864 ( 0.000 -0.127 0.000) 0.127 12.892 ( 0.000 -1.094 0.000) 1.094 13.032 ( 0.000 2.105 0.000) 2.105 13.148 ( 0.000 -3.943 0.000) 3.943 13.184 ( 0.000 -1.213 0.000) 1.213 13.196 ( 0.000 -0.327 0.000) 0.327 13.647 ( 0.000 -0.819 0.000) 0.819 13.648 ( 0.000 -0.769 0.000) 0.769 13.704 ( 0.000 0.946 0.000) 0.946 13.722 ( 0.000 2.105 0.000) 2.105 14.385 ( 0.000 1.475 0.000) 1.475 14.422 ( 0.000 -1.149 0.000) 1.149 14.867 ( 0.000 1.701 0.000) 1.701 14.915 ( 0.000 -1.823 0.000) 1.823 15.192 ( 0.000 5.991 0.000) 5.991 15.207 ( 0.000 4.976 0.000) 4.976 15.369 ( 0.000 0.423 0.000) 0.423 15.413 ( 0.000 -4.896 0.000) 4.896 15.608 ( 0.000 1.942 0.000) 1.942 15.688 ( 0.000 -3.074 0.000) 3.074 15.830 ( 0.000 1.632 0.000) 1.632 15.847 ( 0.000 -1.722 0.000) 1.722 16.046 ( 0.000 2.305 0.000) 2.305 16.077 ( 0.000 -0.453 0.000) 0.453 19.293 ( 0.000 0.501 0.000) 0.501 19.311 ( 0.000 -0.376 0.000) 0.376 19.589 ( 0.000 5.105 0.000) 5.105 19.772 ( 0.000 -3.687 0.000) 3.687 24.801 ( 0.000 0.332 0.000) 0.332 24.819 ( 0.000 -0.514 0.000) 0.514 24.887 ( 0.000 1.642 0.000) 1.642 24.956 ( 0.000 -1.639 0.000) 1.639 26.239 ( 0.000 2.393 0.000) 2.393 26.337 ( 0.000 -2.697 0.000) 2.697 26.676 ( 0.000 3.145 0.000) 3.145 26.785 ( 0.000 -2.321 0.000) 2.321 27.537 ( 0.000 4.004 0.000) 4.004 27.668 ( 0.000 -2.668 0.000) 2.668 27.803 ( 0.000 1.839 0.000) 1.839 27.805 ( 0.000 0.582 0.000) 0.582 27.874 ( 0.000 0.072 0.000) 0.072 27.885 ( 0.000 0.713 0.000) 0.713 28.048 ( 0.000 -0.925 0.000) 0.925 28.146 ( 0.000 -4.295 0.000) 4.295 28.183 ( 0.000 2.032 0.000) 2.032 28.307 ( 0.000 -2.598 0.000) 2.598 28.512 ( 0.000 3.749 0.000) 3.749 28.697 ( 0.000 -5.339 0.000) 5.339 28.734 ( 0.000 8.207 0.000) 8.207 29.095 ( 0.000 -4.261 0.000) 4.261 29.157 ( 0.000 -2.590 0.000) 2.590 29.239 ( 0.000 -0.907 0.000) 0.907 29.707 ( 0.000 3.357 0.000) 3.357 29.772 ( 0.000 0.887 0.000) 0.887 30.752 ( 0.000 1.120 0.000) 1.120 30.853 ( 0.000 -3.587 0.000) 3.587 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 18.101 25.974 6.260) 32.272 1.799 ( 24.499 26.478 14.612) 38.920 2.063 ( 12.019 -3.459 2.593) 12.773 2.167 ( 15.174 13.328 5.810) 21.015 2.512 ( -1.119 25.191 10.116) 27.170 2.750 ( 12.237 -15.597 -2.235) 19.950 2.962 ( 11.935 -6.495 9.505) 16.582 3.062 ( 13.605 0.856 6.914) 15.285 3.149 ( -6.065 -13.829 2.527) 15.310 3.529 ( -5.593 -3.569 -6.628) 9.378 3.639 ( -11.471 -2.132 -2.515) 11.936 3.735 ( -2.416 -2.117 -1.227) 3.439 3.847 ( 5.237 -1.387 -0.023) 5.417 3.915 ( -3.561 4.780 5.328) 7.994 4.025 ( -2.281 4.012 -9.285) 10.369 4.082 ( 6.480 -0.680 -6.648) 9.309 4.124 ( 5.294 -1.394 -0.286) 5.482 4.256 ( 3.287 -3.776 -4.183) 6.524 4.386 ( -4.447 8.380 -0.744) 9.516 4.406 ( 3.508 0.326 -5.504) 6.535 4.474 ( -5.583 -0.910 2.554) 6.207 4.580 ( 1.838 3.510 -3.060) 5.006 4.755 ( -4.362 -0.984 -2.642) 5.194 4.834 ( -1.394 -1.387 -3.634) 4.132 4.905 ( 0.560 -6.488 -8.668) 10.841 4.974 ( -2.382 -3.817 7.040) 8.355 5.113 ( 1.764 -3.065 0.947) 3.661 5.174 ( 3.254 -2.392 1.322) 4.249 5.272 ( 2.837 2.867 -3.090) 5.081 5.284 ( 3.465 0.076 0.969) 3.599 5.436 ( 12.767 3.004 8.398) 15.574 5.560 ( 5.570 -9.142 0.143) 10.706 5.595 ( 4.375 4.715 7.116) 9.592 5.643 ( 0.534 6.877 -0.675) 6.930 5.713 ( 0.756 4.082 1.589) 4.445 5.891 ( -1.115 1.343 0.598) 1.845 5.915 ( 3.712 4.049 -3.441) 6.482 5.992 ( 1.484 -7.225 2.719) 7.861 6.163 ( 2.781 -3.130 -4.373) 6.055 6.261 ( 1.002 -3.879 3.013) 5.013 6.301 ( -3.407 0.365 -1.549) 3.760 6.460 ( -5.488 6.059 3.198) 8.778 6.500 ( 1.383 3.748 -0.265) 4.004 6.640 ( 4.146 3.259 -3.057) 6.095 6.796 ( 0.605 0.667 -0.990) 1.339 6.846 ( -7.440 -2.561 2.112) 8.147 6.935 ( -0.881 3.426 -2.560) 4.366 6.999 ( -1.490 -1.661 -0.236) 2.244 7.105 ( -3.835 -1.211 -2.707) 4.848 7.151 ( -0.567 -1.676 3.395) 3.828 7.227 ( 0.366 -5.585 0.883) 5.666 7.273 ( -1.665 2.702 0.629) 3.236 7.331 ( 2.203 -5.500 -5.986) 8.422 7.434 ( -0.650 -0.239 1.896) 2.018 7.582 ( 0.456 -7.186 2.052) 7.487 7.755 ( -0.445 6.788 0.560) 6.825 7.784 ( 2.208 -1.792 5.550) 6.236 7.815 ( -1.800 -1.099 -0.872) 2.282 7.928 ( -4.456 1.207 -1.666) 4.908 8.021 ( 4.450 -2.436 1.197) 5.212 8.116 ( -7.473 2.038 2.899) 8.271 8.185 ( -0.143 -1.204 -5.127) 5.268 8.290 ( -2.411 -3.568 0.125) 4.308 8.323 ( 1.603 -5.883 -1.106) 6.197 8.525 ( -0.216 2.095 3.102) 3.749 8.589 ( -3.710 0.936 -7.561) 8.474 8.733 ( -5.035 2.914 -0.986) 5.900 8.836 ( -3.360 1.193 1.905) 4.043 9.115 ( -5.951 2.790 -3.020) 7.233 9.228 ( -5.692 -3.139 -4.751) 8.051 9.265 ( 3.106 6.459 3.339) 7.907 9.512 ( 3.447 -1.088 0.675) 3.678 9.555 ( -1.050 -1.082 -2.028) 2.528 9.653 ( -5.341 -3.905 -2.858) 7.207 9.893 ( 1.369 1.347 -3.776) 4.237 9.966 ( -0.064 -3.027 4.149) 5.136 10.050 ( 1.606 2.866 2.179) 3.942 10.196 ( -1.653 -3.054 4.285) 5.515 10.410 ( -12.871 3.962 -4.222) 14.113 10.470 ( -0.444 3.426 -2.290) 4.145 10.532 ( -5.534 -3.278 -6.233) 8.956 10.558 ( -9.106 2.342 -13.063) 16.095 10.800 ( 3.079 2.580 1.636) 4.337 10.854 ( 9.305 -3.977 6.646) 12.106 11.579 ( 2.486 7.977 -1.153) 8.434 11.755 ( -2.894 -0.858 0.327) 3.036 11.899 ( -2.461 -1.195 -0.440) 2.771 12.031 ( 6.980 -7.544 3.100) 10.735 12.743 ( -4.587 -1.789 -2.421) 5.486 12.780 ( -2.057 -4.642 0.204) 5.081 13.030 ( -2.252 4.794 -0.439) 5.315 13.158 ( -0.139 -0.467 -0.044) 0.489 13.367 ( 1.810 3.373 4.912) 6.228 13.542 ( 1.113 -5.891 7.202) 9.370 13.616 ( -2.706 -0.146 -3.050) 4.080 13.636 ( 0.239 -1.372 -4.097) 4.328 13.891 ( 11.524 0.219 16.073) 19.779 13.968 ( 15.583 -6.950 20.425) 26.614 14.366 ( -6.196 -0.189 -1.037) 6.285 14.398 ( -6.155 -2.562 -1.270) 6.787 14.755 ( -4.594 1.345 -5.106) 6.999 14.809 ( -1.250 -2.029 -5.170) 5.693 15.102 ( -1.024 4.025 -8.927) 9.845 15.204 ( -3.724 -0.203 -4.952) 6.200 15.272 ( 1.032 4.921 7.336) 8.893 15.465 ( -0.205 -4.732 3.867) 6.115 15.618 ( 1.706 3.166 -2.887) 4.612 15.738 ( 2.053 -1.438 -3.987) 4.710 15.842 ( 4.070 2.213 0.318) 4.643 15.915 ( 5.134 -2.119 1.470) 5.746 16.111 ( 4.782 1.987 1.130) 5.301 16.202 ( 8.189 -3.054 4.748) 9.946 19.292 ( -0.079 3.263 0.299) 3.278 19.365 ( 1.868 -0.744 2.651) 3.327 19.516 ( -1.844 3.328 -2.739) 4.688 19.671 ( -6.685 -3.721 -5.393) 9.360 24.848 ( 1.886 0.555 1.896) 2.731 24.872 ( 3.074 -1.086 3.527) 4.803 24.927 ( 2.201 -0.499 1.693) 2.821 25.002 ( 3.474 -3.278 3.931) 6.186 26.248 ( 1.116 2.130 -0.053) 2.405 26.341 ( 0.697 -2.663 -0.822) 2.872 26.652 ( -0.931 3.282 -2.491) 4.224 26.757 ( -1.067 -1.604 -2.322) 3.017 27.618 ( 3.353 2.385 4.505) 6.101 27.682 ( 0.578 -0.452 -0.324) 0.802 27.795 ( -1.045 1.358 0.131) 1.719 27.837 ( 1.444 0.416 0.527) 1.592 27.847 ( -1.680 -0.118 -0.689) 1.819 27.905 ( 0.968 -1.810 3.677) 4.211 28.038 ( 0.625 0.088 -1.606) 1.725 28.140 ( -0.023 -4.634 -1.257) 4.802 28.212 ( 2.021 2.403 1.662) 3.553 28.324 ( -0.407 -2.143 4.401) 4.912 28.540 ( 3.785 2.440 -1.414) 4.720 28.705 ( 2.506 -4.003 -3.569) 5.920 28.752 ( 0.323 6.197 3.802) 7.277 29.021 ( -8.144 5.695 -2.436) 10.232 29.112 ( 0.032 -9.637 0.917) 9.680 29.222 ( -2.278 -4.183 -0.333) 4.775 29.808 ( 5.204 4.040 6.280) 9.102 29.879 ( 6.474 0.855 5.842) 8.762 30.585 ( -14.805 5.212 -15.962) 22.386 30.641 ( -7.432 -0.664 -6.773) 10.077 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 17.718 18.520 7.241) 26.634 2.186 ( 5.974 9.811 -3.050) 11.885 2.340 ( 9.747 15.647 7.365) 19.851 2.529 ( 14.771 1.720 9.652) 17.729 2.589 ( -0.708 -0.680 7.682) 7.745 2.911 ( 6.901 -12.649 -2.768) 14.673 3.056 ( -0.234 -11.147 -1.822) 11.298 3.166 ( 1.983 -15.218 0.032) 15.347 3.409 ( -3.170 4.434 -5.220) 7.547 3.439 ( -1.977 -7.446 11.535) 13.871 3.556 ( -0.040 4.500 1.169) 4.649 3.687 ( 5.962 10.035 5.973) 13.112 3.760 ( -3.512 9.093 -11.163) 14.820 3.847 ( -4.857 0.541 -5.677) 7.491 3.985 ( -2.742 -2.992 -6.204) 7.413 4.057 ( 8.979 4.212 3.056) 10.378 4.204 ( 4.256 -7.087 -3.688) 9.052 4.244 ( -0.449 3.612 -3.252) 4.881 4.371 ( 3.947 6.763 -3.910) 8.753 4.468 ( 6.722 -9.228 3.937) 12.077 4.576 ( 2.103 -0.802 7.263) 7.604 4.613 ( 1.253 -3.903 -1.200) 4.271 4.674 ( 4.247 -0.338 -3.351) 5.420 4.761 ( 5.607 3.238 -0.640) 6.507 4.895 ( 6.430 -7.209 -1.426) 9.765 5.045 ( 1.554 -6.034 -6.129) 8.740 5.137 ( 0.000 -2.889 0.544) 2.939 5.187 ( 0.944 0.579 0.065) 1.110 5.279 ( 1.872 -0.810 -0.724) 2.164 5.352 ( 3.254 2.039 -0.051) 3.841 5.521 ( -4.934 1.855 -0.695) 5.317 5.636 ( -3.232 3.372 -1.813) 5.010 5.667 ( -0.924 -1.053 3.324) 3.607 5.703 ( 6.101 6.648 1.282) 9.114 5.818 ( 9.929 5.029 2.337) 11.373 5.911 ( 2.168 3.072 5.351) 6.540 6.033 ( 7.115 -2.724 0.392) 7.629 6.088 ( 7.256 -0.997 2.630) 7.782 6.250 ( 0.372 4.388 6.456) 7.815 6.277 ( 4.469 3.844 1.135) 6.003 6.327 ( 2.229 0.332 -0.486) 2.305 6.400 ( -3.734 3.288 4.406) 6.646 6.557 ( 0.158 5.996 1.035) 6.087 6.632 ( 4.241 2.996 -6.483) 8.306 6.728 ( -3.625 2.788 -6.772) 8.171 6.739 ( -5.857 -3.252 1.135) 6.794 6.864 ( -2.144 -0.721 -0.416) 2.300 6.977 ( -5.019 0.369 3.764) 6.284 7.062 ( -0.700 -2.273 0.859) 2.528 7.134 ( -2.756 1.681 -2.345) 3.990 7.212 ( -0.866 -3.084 -1.242) 3.435 7.274 ( -1.052 -5.955 -2.919) 6.715 7.301 ( 2.037 -5.239 -3.043) 6.392 7.412 ( -3.200 -2.603 -1.704) 4.463 7.563 ( -4.992 -0.105 1.254) 5.148 7.712 ( -6.377 -1.850 0.813) 6.689 7.762 ( -0.113 5.998 -4.214) 7.331 7.814 ( -0.024 2.093 -3.310) 3.916 7.865 ( -0.091 4.952 3.434) 6.027 8.031 ( -6.734 5.039 3.850) 9.250 8.042 ( -3.533 -1.102 2.165) 4.288 8.144 ( 2.288 -1.425 -6.117) 6.685 8.231 ( -5.189 -4.318 1.156) 6.849 8.283 ( -5.633 -2.917 -5.495) 8.392 8.435 ( -5.000 3.553 -4.189) 7.428 8.558 ( -7.338 3.440 -0.955) 8.161 8.624 ( 9.230 -5.906 3.022) 11.367 8.867 ( -5.582 -6.655 0.142) 8.688 9.030 ( -0.797 -2.164 -2.546) 3.436 9.042 ( 1.220 -1.316 6.499) 6.743 9.325 ( 0.296 1.572 -2.700) 3.138 9.527 ( 1.462 0.253 0.583) 1.594 9.548 ( 0.303 4.635 3.791) 5.996 9.646 ( -4.496 0.483 -1.497) 4.763 9.836 ( -5.046 -4.020 -4.135) 7.663 9.891 ( 2.524 -3.677 0.755) 4.524 10.033 ( -11.250 5.020 -8.586) 15.016 10.121 ( -0.303 2.002 0.830) 2.188 10.245 ( -9.241 -0.818 -4.490) 10.306 10.292 ( -1.153 -3.590 8.469) 9.270 10.585 ( 8.692 0.559 2.149) 8.971 10.644 ( 13.729 -2.815 3.973) 14.567 10.895 ( 2.830 2.379 1.868) 4.142 11.050 ( 6.380 -6.372 3.575) 9.700 11.633 ( 2.807 3.622 0.004) 4.582 11.683 ( -2.420 0.327 -0.563) 2.506 11.915 ( 0.571 1.593 0.620) 1.802 12.166 ( 2.805 -9.553 2.097) 10.174 12.697 ( -0.050 -0.867 0.023) 0.868 12.748 ( -1.966 -4.176 -0.063) 4.616 12.985 ( -1.523 5.309 -0.929) 5.600 13.149 ( -1.880 -2.586 0.895) 3.320 13.387 ( -4.007 2.479 1.491) 4.942 13.481 ( -5.100 -1.671 -3.305) 6.303 13.571 ( 0.594 -0.019 -0.611) 0.853 13.609 ( 0.156 -1.088 -2.197) 2.456 13.915 ( -17.339 1.753 -10.889) 20.549 14.013 ( -14.577 -3.108 -6.678) 16.333 14.219 ( -2.331 1.900 6.643) 7.292 14.321 ( -2.302 -3.925 7.136) 8.463 14.776 ( 4.163 2.396 -0.316) 4.814 14.850 ( 3.847 -0.550 0.952) 4.001 15.106 ( 5.622 3.955 -0.593) 6.899 15.195 ( 5.879 -2.668 1.834) 6.711 15.382 ( 0.798 2.620 8.557) 8.985 15.482 ( -0.048 -3.537 0.930) 3.658 15.653 ( 2.536 0.929 0.744) 2.802 15.686 ( -0.179 1.426 -5.681) 5.860 15.944 ( 5.903 1.638 0.001) 6.126 16.013 ( 4.292 -2.811 -0.142) 5.132 16.203 ( 3.912 3.026 0.535) 4.974 16.358 ( 4.155 -3.106 0.884) 5.263 19.243 ( -2.987 1.211 -2.706) 4.208 19.367 ( -4.249 -3.141 -2.300) 5.763 19.536 ( 0.732 0.920 -0.492) 1.275 19.578 ( 4.762 -0.428 3.997) 6.232 24.906 ( 1.839 0.980 2.178) 3.014 24.952 ( 1.665 -1.715 1.859) 3.028 24.984 ( 2.931 0.917 1.616) 3.470 25.115 ( 2.466 -6.054 4.760) 8.087 26.276 ( 1.496 1.061 0.475) 1.895 26.339 ( 0.222 -1.997 -1.322) 2.406 26.603 ( -0.831 3.677 -3.236) 4.969 26.716 ( -0.574 -1.462 -2.284) 2.772 27.661 ( -1.362 2.190 -1.842) 3.169 27.681 ( 0.127 1.942 1.387) 2.390 27.753 ( -1.996 1.100 -2.382) 3.296 27.816 ( -1.806 -1.873 0.940) 2.766 27.853 ( 0.160 2.926 1.089) 3.126 27.958 ( 0.170 -1.531 2.490) 2.928 28.057 ( 1.947 -0.216 -2.207) 2.951 28.121 ( -0.596 -4.543 -0.419) 4.601 28.301 ( 4.406 2.128 4.976) 6.979 28.375 ( 0.188 -1.820 4.222) 4.602 28.607 ( 4.661 0.803 -1.785) 5.055 28.699 ( -0.177 -0.843 -1.526) 1.752 28.828 ( 2.394 2.928 2.936) 4.788 28.873 ( -4.729 6.936 0.342) 8.401 29.125 ( 0.577 -8.923 0.593) 8.961 29.199 ( -0.274 -8.181 1.954) 8.416 29.908 ( -3.565 7.894 1.475) 8.787 30.029 ( 0.514 0.524 3.578) 3.653 30.219 ( -3.469 7.681 -9.861) 12.972 30.417 ( -5.361 -3.567 -7.740) 10.068 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -1.324 -0.848 -0.010) 1.573 2.249 ( 3.813 0.416 -0.790) 3.916 2.525 ( 7.926 8.048 6.471) 13.018 2.669 ( 0.905 3.930 5.151) 6.542 2.808 ( 1.482 4.338 7.051) 8.410 2.966 ( 2.739 0.347 -2.726) 3.880 2.976 ( 1.386 -5.603 -11.066) 12.481 3.170 ( 1.866 -6.603 -3.045) 7.507 3.259 ( -4.502 6.965 0.341) 8.300 3.356 ( -6.922 2.960 -3.547) 8.322 3.566 ( 1.218 2.488 -0.565) 2.827 3.616 ( -2.644 10.769 1.192) 11.153 3.666 ( -6.450 -1.467 -0.963) 6.684 3.908 ( 3.427 -6.472 2.622) 7.779 4.006 ( 7.024 -11.268 2.799) 13.570 4.177 ( -1.703 -1.236 3.277) 3.894 4.191 ( 3.846 -5.365 -8.344) 10.640 4.256 ( -6.421 -7.774 -4.036) 10.861 4.404 ( 5.783 8.841 3.938) 11.274 4.428 ( -5.618 -5.275 -1.816) 7.917 4.570 ( 0.666 -13.617 -1.984) 13.777 4.704 ( 2.005 -0.951 3.714) 4.327 4.835 ( 7.191 4.148 -2.353) 8.629 4.934 ( 0.987 -0.170 -3.943) 4.068 5.039 ( 9.568 -2.340 -0.955) 9.896 5.110 ( 5.165 -5.669 1.052) 7.741 5.139 ( 4.445 -1.256 7.210) 8.562 5.254 ( -0.432 4.155 -2.825) 5.043 5.271 ( 3.797 -4.081 3.798) 6.745 5.459 ( -1.797 -1.916 -0.428) 2.662 5.512 ( 5.836 8.067 2.211) 10.200 5.602 ( 1.955 1.717 1.396) 2.953 5.684 ( 3.015 7.559 4.047) 9.089 5.794 ( 5.716 4.344 -0.588) 7.203 5.951 ( 4.771 0.723 -3.672) 6.063 5.968 ( -3.196 5.901 0.824) 6.761 6.118 ( -1.810 -1.071 5.008) 5.432 6.203 ( -6.089 6.823 -3.863) 9.928 6.222 ( 1.046 -2.375 3.309) 4.205 6.297 ( -0.282 1.673 4.642) 4.942 6.410 ( 5.715 12.610 4.108) 14.441 6.516 ( 1.054 3.428 3.569) 5.059 6.523 ( 5.603 10.892 -8.374) 14.838 6.576 ( -1.133 4.296 -1.552) 4.706 6.643 ( -3.733 1.339 -1.381) 4.200 6.675 ( -5.392 6.911 -1.285) 8.859 6.837 ( 0.779 -1.653 2.057) 2.751 6.976 ( -1.899 -1.084 8.916) 9.180 7.018 ( -5.507 -2.660 -1.971) 6.426 7.042 ( 2.354 -6.259 -8.925) 11.152 7.124 ( -8.450 2.181 -3.844) 9.536 7.196 ( -4.439 -4.758 -3.557) 7.415 7.246 ( 1.000 -3.676 0.576) 3.853 7.320 ( -1.120 -5.244 -3.726) 6.530 7.529 ( -0.662 3.847 2.462) 4.615 7.602 ( -2.148 3.245 0.690) 3.952 7.763 ( 4.235 -0.481 -5.247) 6.760 7.803 ( -0.751 1.357 3.493) 3.822 7.908 ( -0.244 3.380 -5.232) 6.233 7.922 ( -0.947 -0.791 -2.853) 3.108 8.002 ( -10.677 -3.197 1.391) 11.231 8.039 ( -2.126 -2.122 3.933) 4.949 8.141 ( 1.703 0.344 -2.348) 2.921 8.198 ( -1.812 -0.094 0.166) 1.823 8.348 ( -2.737 4.691 -0.058) 5.432 8.498 ( -0.453 2.016 -0.542) 2.137 8.826 ( 4.313 -5.230 1.020) 6.856 8.856 ( 5.759 -6.315 1.999) 8.777 8.993 ( -2.467 -6.533 1.672) 7.181 9.206 ( 1.558 -5.299 8.972) 10.536 9.267 ( 0.220 -0.638 -4.790) 4.838 9.432 ( -4.703 2.963 -1.603) 5.785 9.527 ( -4.438 -2.312 -3.925) 6.360 9.602 ( -0.925 -4.313 -1.233) 4.580 9.741 ( -1.971 8.152 -0.191) 8.389 9.877 ( 1.323 2.751 -0.158) 3.056 10.015 ( 3.144 -4.262 1.510) 5.508 10.039 ( -1.448 -4.740 -2.500) 5.551 10.207 ( 0.441 3.404 2.837) 4.453 10.348 ( -1.022 -5.871 4.357) 7.382 10.744 ( 4.516 1.368 1.158) 4.859 10.846 ( 1.998 -2.424 1.361) 3.423 10.986 ( 5.896 0.571 2.122) 6.292 11.156 ( 2.217 -7.767 1.164) 8.161 11.650 ( 1.329 4.078 -0.027) 4.289 11.731 ( 5.136 2.240 1.711) 5.858 11.866 ( -5.401 2.542 -1.896) 6.263 12.156 ( -2.853 -10.310 -0.394) 10.705 12.711 ( 1.175 -1.028 -0.127) 1.566 12.730 ( -0.818 -3.491 1.394) 3.847 12.969 ( -0.279 3.282 0.393) 3.317 13.057 ( -6.272 -2.370 -2.382) 7.115 13.214 ( -6.250 -0.648 -5.803) 8.553 13.362 ( -2.761 -4.888 -3.507) 6.619 13.556 ( -1.240 2.710 -2.203) 3.706 13.607 ( 1.220 0.246 -2.343) 2.652 13.716 ( 0.172 1.151 1.209) 1.678 13.755 ( -4.911 -0.364 0.249) 4.931 14.184 ( -4.144 3.157 0.206) 5.213 14.302 ( -2.265 -3.292 0.791) 4.074 14.804 ( 0.520 5.297 -0.207) 5.327 14.919 ( 1.498 0.411 1.112) 1.910 15.225 ( 4.494 6.441 2.124) 8.136 15.327 ( 3.088 -1.373 1.342) 3.636 15.418 ( -1.790 0.226 3.118) 3.602 15.525 ( 1.643 -3.207 0.743) 3.680 15.622 ( -0.196 1.741 -2.347) 2.929 15.702 ( 0.669 1.380 0.168) 1.543 16.034 ( 2.115 -1.490 0.855) 2.725 16.073 ( 2.504 -4.092 0.165) 4.800 16.267 ( 2.503 4.509 0.646) 5.198 16.375 ( -0.530 0.573 -1.870) 2.026 19.175 ( -1.539 -0.739 -1.647) 2.372 19.251 ( -2.707 -4.718 -1.947) 5.777 19.608 ( 2.437 2.468 1.782) 3.900 19.685 ( 2.305 -0.998 2.190) 3.332 24.951 ( 0.921 0.517 1.290) 1.667 24.975 ( 0.288 -0.858 -0.008) 0.905 25.046 ( 1.479 0.773 1.042) 1.968 25.176 ( 0.608 -5.685 1.768) 5.984 26.306 ( 0.925 -0.275 0.730) 1.210 26.325 ( -0.329 -1.102 -1.002) 1.525 26.566 ( -0.311 4.245 -1.574) 4.538 26.692 ( -0.147 -1.717 -0.927) 1.957 27.616 ( -1.002 3.008 -1.233) 3.402 27.680 ( -0.353 0.746 -0.478) 0.954 27.703 ( -0.946 2.039 -0.654) 2.341 27.799 ( -0.932 -2.515 0.668) 2.764 27.864 ( 0.064 3.999 0.378) 4.017 27.987 ( 0.664 0.186 2.132) 2.241 28.032 ( -0.703 1.283 -2.902) 3.250 28.117 ( -0.067 -3.878 0.202) 3.883 28.393 ( -0.236 0.811 1.447) 1.676 28.433 ( 2.954 -1.954 2.473) 4.320 28.649 ( 0.764 -0.956 1.268) 1.762 28.682 ( 0.118 -1.223 -2.476) 2.764 28.805 ( -1.218 10.049 0.967) 10.168 28.917 ( 1.463 2.780 1.394) 3.437 29.161 ( 1.753 -9.277 1.251) 9.524 29.234 ( 0.656 -9.736 1.770) 9.917 29.750 ( -4.314 8.533 -4.535) 10.583 29.946 ( -5.580 -1.450 -2.320) 6.214 30.212 ( 1.618 5.765 0.307) 5.995 30.376 ( 1.950 -3.003 -0.285) 3.592 ======================= Grid point 21 (13/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 0.000 -17.181 0.000) 17.181 1.683 ( 0.000 17.181 0.000) 17.181 2.093 ( 0.000 -12.825 0.000) 12.825 2.093 ( 0.000 12.825 0.000) 12.825 2.417 ( 0.000 -7.126 0.000) 7.126 2.417 ( 0.000 7.126 0.000) 7.126 2.914 ( 0.000 -11.058 0.000) 11.058 2.914 ( 0.000 11.058 0.000) 11.058 3.444 ( 0.000 -35.350 0.000) 35.350 3.444 ( 0.000 35.350 0.000) 35.350 3.730 ( 0.000 -3.571 0.000) 3.571 3.730 ( 0.000 3.571 0.000) 3.571 3.936 ( 0.000 -1.565 0.000) 1.565 3.936 ( 0.000 1.565 0.000) 1.565 3.974 ( 0.000 -4.904 0.000) 4.904 3.974 ( 0.000 4.904 0.000) 4.904 4.099 ( 0.000 -1.061 0.000) 1.061 4.099 ( 0.000 1.061 0.000) 1.061 4.399 ( 0.000 -1.363 0.000) 1.363 4.399 ( 0.000 1.363 0.000) 1.363 4.641 ( 0.000 -5.945 0.000) 5.945 4.641 ( 0.000 5.945 0.000) 5.945 4.816 ( 0.000 -5.652 0.000) 5.652 4.816 ( 0.000 5.652 0.000) 5.652 4.959 ( 0.000 -2.782 0.000) 2.782 4.959 ( 0.000 2.782 0.000) 2.782 5.099 ( 0.000 -3.797 0.000) 3.797 5.099 ( 0.000 3.797 0.000) 3.797 5.241 ( 0.000 -7.088 0.000) 7.088 5.241 ( 0.000 7.088 0.000) 7.088 5.338 ( 0.000 -1.296 0.000) 1.296 5.338 ( 0.000 1.296 0.000) 1.296 5.606 ( 0.000 -6.688 0.000) 6.688 5.606 ( 0.000 6.688 0.000) 6.688 5.789 ( 0.000 -3.781 0.000) 3.781 5.789 ( 0.000 3.781 0.000) 3.781 5.919 ( 0.000 -1.464 0.000) 1.464 5.919 ( 0.000 1.464 0.000) 1.464 6.175 ( 0.000 -0.835 0.000) 0.835 6.175 ( 0.000 0.835 0.000) 0.835 6.424 ( 0.000 -6.131 0.000) 6.131 6.424 ( 0.000 6.131 0.000) 6.131 6.658 ( 0.000 -0.312 0.000) 0.312 6.658 ( 0.000 0.312 0.000) 0.312 6.866 ( 0.000 -12.248 0.000) 12.248 6.866 ( 0.000 12.248 0.000) 12.248 6.964 ( 0.000 -2.669 0.000) 2.669 6.964 ( 0.000 2.669 0.000) 2.669 7.098 ( 0.000 -2.967 0.000) 2.967 7.098 ( 0.000 2.967 0.000) 2.967 7.245 ( 0.000 -7.185 0.000) 7.185 7.245 ( 0.000 7.185 0.000) 7.185 7.387 ( 0.000 -8.808 0.000) 8.808 7.387 ( 0.000 8.808 0.000) 8.808 7.543 ( 0.000 -9.451 0.000) 9.451 7.543 ( 0.000 9.451 0.000) 9.451 7.857 ( 0.000 -3.172 0.000) 3.172 7.857 ( 0.000 3.172 0.000) 3.172 7.951 ( 0.000 -2.271 0.000) 2.271 7.951 ( 0.000 2.271 0.000) 2.271 8.176 ( 0.000 -0.035 0.000) 0.035 8.176 ( 0.000 0.035 0.000) 0.035 8.282 ( 0.000 -1.936 0.000) 1.936 8.282 ( 0.000 1.936 0.000) 1.936 8.607 ( 0.000 -5.115 0.000) 5.115 8.607 ( 0.000 5.115 0.000) 5.115 8.867 ( 0.000 -3.336 0.000) 3.336 8.867 ( 0.000 3.336 0.000) 3.336 9.211 ( 0.000 -4.176 0.000) 4.176 9.211 ( 0.000 4.176 0.000) 4.176 9.359 ( 0.000 -1.246 0.000) 1.246 9.359 ( 0.000 1.246 0.000) 1.246 9.687 ( 0.000 -4.850 0.000) 4.850 9.687 ( 0.000 4.850 0.000) 4.850 9.829 ( 0.000 -4.005 0.000) 4.005 9.829 ( 0.000 4.005 0.000) 4.005 10.175 ( 0.000 -5.415 0.000) 5.415 10.175 ( 0.000 5.415 0.000) 5.415 10.590 ( 0.000 -0.833 0.000) 0.833 10.590 ( 0.000 0.833 0.000) 0.833 10.627 ( 0.000 -2.421 0.000) 2.421 10.627 ( 0.000 2.421 0.000) 2.421 10.756 ( 0.000 -7.789 0.000) 7.789 10.756 ( 0.000 7.789 0.000) 7.789 11.734 ( 0.000 -10.226 0.000) 10.226 11.734 ( 0.000 10.226 0.000) 10.226 11.918 ( 0.000 -1.631 0.000) 1.631 11.918 ( 0.000 1.631 0.000) 1.631 12.872 ( 0.000 -0.887 0.000) 0.887 12.872 ( 0.000 0.887 0.000) 0.887 13.080 ( 0.000 -3.022 0.000) 3.022 13.080 ( 0.000 3.022 0.000) 3.022 13.185 ( 0.000 -0.638 0.000) 0.638 13.185 ( 0.000 0.638 0.000) 0.638 13.639 ( 0.000 -0.044 0.000) 0.044 13.639 ( 0.000 0.044 0.000) 0.044 13.726 ( 0.000 -1.007 0.000) 1.007 13.726 ( 0.000 1.007 0.000) 1.007 14.408 ( 0.000 -0.830 0.000) 0.830 14.408 ( 0.000 0.830 0.000) 0.830 14.891 ( 0.000 -1.035 0.000) 1.035 14.891 ( 0.000 1.035 0.000) 1.035 15.289 ( 0.000 -0.187 0.000) 0.187 15.289 ( 0.000 0.187 0.000) 0.187 15.330 ( 0.000 -0.161 0.000) 0.161 15.330 ( 0.000 0.161 0.000) 0.161 15.647 ( 0.000 -1.976 0.000) 1.976 15.647 ( 0.000 1.976 0.000) 1.976 15.837 ( 0.000 -0.360 0.000) 0.360 15.837 ( 0.000 0.360 0.000) 0.360 16.070 ( 0.000 -0.490 0.000) 0.490 16.070 ( 0.000 0.490 0.000) 0.490 19.303 ( 0.000 -0.502 0.000) 0.502 19.303 ( 0.000 0.502 0.000) 0.502 19.688 ( 0.000 -5.079 0.000) 5.079 19.688 ( 0.000 5.079 0.000) 5.079 24.809 ( 0.000 -0.504 0.000) 0.504 24.809 ( 0.000 0.504 0.000) 0.504 24.922 ( 0.000 -1.933 0.000) 1.933 24.922 ( 0.000 1.933 0.000) 1.933 26.287 ( 0.000 -2.647 0.000) 2.647 26.287 ( 0.000 2.647 0.000) 2.647 26.734 ( 0.000 -2.972 0.000) 2.972 26.734 ( 0.000 2.972 0.000) 2.972 27.610 ( 0.000 -3.577 0.000) 3.577 27.610 ( 0.000 3.577 0.000) 3.577 27.818 ( 0.000 -0.444 0.000) 0.444 27.818 ( 0.000 0.444 0.000) 0.444 27.882 ( 0.000 -0.845 0.000) 0.845 27.882 ( 0.000 0.845 0.000) 0.845 28.064 ( 0.000 -2.890 0.000) 2.890 28.064 ( 0.000 2.890 0.000) 2.890 28.248 ( 0.000 -3.612 0.000) 3.612 28.248 ( 0.000 3.612 0.000) 3.612 28.596 ( 0.000 -5.129 0.000) 5.129 28.596 ( 0.000 5.129 0.000) 5.129 28.913 ( 0.000 -10.511 0.000) 10.511 28.913 ( 0.000 10.511 0.000) 10.511 29.202 ( 0.000 -2.922 0.000) 2.922 29.202 ( 0.000 2.922 0.000) 2.922 29.761 ( 0.000 -1.987 0.000) 1.987 29.761 ( 0.000 1.987 0.000) 1.987 30.790 ( 0.000 -2.829 0.000) 2.829 30.790 ( 0.000 2.829 0.000) 2.829 ======================= Grid point 23 (14/72) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 17.421 -11.365 4.997) 21.392 1.933 ( 17.421 11.365 4.997) 21.392 2.265 ( 15.562 -14.853 5.297) 22.155 2.265 ( 15.562 14.853 5.297) 22.155 2.582 ( 11.240 -9.536 5.866) 15.864 2.582 ( 11.240 9.536 5.866) 15.864 2.856 ( -9.818 -15.493 3.862) 18.744 2.856 ( -9.818 15.493 3.862) 18.744 3.430 ( -1.721 -11.086 3.222) 11.673 3.430 ( -1.721 11.086 3.222) 11.673 3.689 ( -2.697 -4.608 -1.176) 5.467 3.689 ( -2.697 4.608 -1.176) 5.467 3.916 ( 5.374 -15.530 -1.022) 16.465 3.916 ( 5.374 15.530 -1.022) 16.465 4.035 ( 3.783 -4.297 2.076) 6.089 4.035 ( 3.783 4.297 2.076) 6.089 4.099 ( 0.017 -2.278 -5.974) 6.393 4.099 ( 0.017 2.278 -5.974) 6.393 4.431 ( 2.303 -1.448 -1.415) 3.066 4.431 ( 2.303 1.448 -1.415) 3.066 4.585 ( -4.021 -5.792 -5.308) 8.826 4.585 ( -4.021 5.792 -5.308) 8.826 4.793 ( -2.087 -4.309 -5.895) 7.594 4.793 ( -2.087 4.309 -5.895) 7.594 4.882 ( 0.354 -5.012 -1.021) 5.127 4.882 ( 0.354 5.012 -1.021) 5.127 5.144 ( -1.288 -5.710 2.197) 6.252 5.144 ( -1.288 5.710 2.197) 6.252 5.229 ( 7.714 -1.754 -3.401) 8.611 5.229 ( 7.714 1.754 -3.401) 8.611 5.443 ( 4.515 -4.445 4.043) 7.516 5.443 ( 4.515 4.445 4.043) 7.516 5.739 ( 6.617 -3.749 3.105) 8.215 5.739 ( 6.617 3.749 3.105) 8.215 5.801 ( -1.331 -5.114 6.706) 8.538 5.801 ( -1.331 5.114 6.706) 8.538 5.946 ( 4.167 -2.752 -1.925) 5.352 5.946 ( 4.167 2.752 -1.925) 5.352 6.166 ( -0.445 -3.675 0.743) 3.776 6.166 ( -0.445 3.675 0.743) 3.776 6.396 ( -0.693 -7.447 1.258) 7.584 6.396 ( -0.693 7.447 1.258) 7.584 6.647 ( 0.966 -4.881 -4.265) 6.554 6.647 ( 0.966 4.881 -4.265) 6.554 6.825 ( -4.106 -2.678 0.871) 4.978 6.825 ( -4.106 2.678 0.871) 4.978 6.978 ( 0.005 -2.197 0.961) 2.398 6.978 ( 0.005 2.197 0.961) 2.398 7.078 ( -0.286 -3.605 -2.142) 4.203 7.078 ( -0.286 3.605 -2.142) 4.203 7.216 ( 0.492 -4.782 -3.587) 5.998 7.216 ( 0.492 4.782 -3.587) 5.998 7.388 ( -2.136 -7.568 0.121) 7.865 7.388 ( -2.136 7.568 0.121) 7.865 7.601 ( -1.245 -9.937 9.240) 13.626 7.601 ( -1.245 9.937 9.240) 13.626 7.879 ( -0.111 -3.123 2.964) 4.307 7.879 ( -0.111 3.123 2.964) 4.307 7.931 ( 4.958 -4.153 -11.092) 12.840 7.931 ( 4.958 4.153 -11.092) 12.840 8.156 ( -3.958 -2.095 4.658) 6.461 8.156 ( -3.958 2.095 4.658) 6.461 8.256 ( -1.865 -0.779 -1.070) 2.287 8.256 ( -1.865 0.779 -1.070) 2.287 8.574 ( -1.967 -2.235 -2.653) 3.988 8.574 ( -1.967 2.235 -2.653) 3.988 8.799 ( -4.080 -3.742 -0.216) 5.540 8.799 ( -4.080 3.742 -0.216) 5.540 9.165 ( -5.480 -3.081 -4.378) 7.661 9.165 ( -5.480 3.081 -4.378) 7.661 9.421 ( 2.793 -7.812 -0.241) 8.299 9.421 ( 2.793 7.812 -0.241) 8.299 9.585 ( -3.654 -3.151 -0.030) 4.825 9.585 ( -3.654 3.151 -0.030) 4.825 9.915 ( 0.476 -1.775 2.855) 3.395 9.915 ( 0.476 1.775 2.855) 3.395 10.124 ( -1.013 -4.368 3.040) 5.417 10.124 ( -1.013 4.368 3.040) 5.417 10.463 ( -9.826 -2.480 -3.396) 10.688 10.463 ( -9.826 2.480 -3.396) 10.688 10.550 ( -3.999 -3.242 -9.535) 10.836 10.550 ( -3.999 3.242 -9.535) 10.836 10.820 ( 6.191 -0.349 4.100) 7.434 10.820 ( 6.191 0.349 4.100) 7.434 11.711 ( -1.567 -4.951 -3.029) 6.012 11.711 ( -1.567 4.951 -3.029) 6.012 11.913 ( 2.553 -3.654 2.811) 5.270 11.913 ( 2.553 3.654 2.811) 5.270 12.730 ( -3.538 -0.768 -1.056) 3.771 12.730 ( -3.538 0.768 -1.056) 3.771 13.114 ( -1.295 -3.814 0.076) 4.029 13.114 ( -1.295 3.814 0.076) 4.029 13.440 ( 3.979 -4.507 7.960) 9.975 13.440 ( 3.979 4.507 7.960) 9.975 13.617 ( -1.173 -0.552 -3.663) 3.886 13.617 ( -1.173 0.552 -3.663) 3.886 13.903 ( 13.012 -1.406 15.940) 20.624 13.903 ( 13.012 1.406 15.940) 20.624 14.372 ( -7.465 -0.680 -2.001) 7.758 14.372 ( -7.465 0.680 -2.001) 7.758 14.779 ( -3.150 -1.361 -5.008) 6.071 14.779 ( -3.150 1.361 -5.008) 6.071 15.171 ( -2.352 -3.028 -8.283) 9.127 15.171 ( -2.352 3.028 -8.283) 9.127 15.370 ( 0.093 -5.267 6.342) 8.244 15.370 ( 0.093 5.267 6.342) 8.244 15.686 ( 2.249 -3.635 -2.795) 5.107 15.686 ( 2.249 3.635 -2.795) 5.107 15.882 ( 4.283 -1.832 1.205) 4.811 15.882 ( 4.283 1.832 1.205) 4.811 16.152 ( 6.041 -2.369 2.411) 6.922 16.152 ( 6.041 2.369 2.411) 6.922 19.340 ( 1.630 -1.913 2.208) 3.345 19.340 ( 1.630 1.913 2.208) 3.345 19.592 ( -5.225 -4.424 -4.921) 8.431 19.592 ( -5.225 4.424 -4.921) 8.431 24.855 ( 2.623 -0.521 2.642) 3.759 24.855 ( 2.623 0.521 2.642) 3.759 24.951 ( 2.206 -2.293 1.760) 3.635 24.951 ( 2.206 2.293 1.760) 3.635 26.293 ( 0.810 -2.510 -0.451) 2.676 26.293 ( 0.810 2.510 -0.451) 2.676 26.712 ( -0.852 -2.949 -2.231) 3.795 26.712 ( -0.852 2.949 -2.231) 3.795 27.661 ( 2.604 -1.827 2.161) 3.846 27.661 ( 2.604 1.827 2.161) 3.846 27.820 ( -0.623 -1.317 -0.143) 1.463 27.820 ( -0.623 1.317 -0.143) 1.463 27.874 ( -0.208 -1.738 1.243) 2.147 27.874 ( -0.208 1.738 1.243) 2.147 28.060 ( 0.602 -2.791 -1.559) 3.253 28.060 ( 0.602 2.791 -1.559) 3.253 28.274 ( 0.856 -3.248 3.404) 4.783 28.274 ( 0.856 3.248 3.404) 4.783 28.611 ( 2.818 -4.794 -2.066) 5.933 28.611 ( 2.818 4.794 -2.066) 5.933 28.916 ( -0.887 -9.892 2.099) 10.151 28.916 ( -0.887 9.892 2.099) 10.151 29.133 ( -4.805 -5.267 -1.600) 7.307 29.133 ( -4.805 5.267 -1.600) 7.307 29.868 ( 6.281 -2.038 5.817) 8.800 29.868 ( 6.281 2.038 5.817) 8.800 30.630 ( -10.178 -0.830 -9.782) 14.141 30.630 ( -10.178 0.830 -9.782) 14.141 ======================= Grid point 25 (15/72) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 8.191 -3.676 -2.073) 9.214 2.206 ( 8.191 3.676 -2.073) 9.214 2.626 ( 4.370 -7.381 4.004) 9.466 2.626 ( 4.370 7.381 4.004) 9.466 2.694 ( 2.841 -11.995 6.868) 14.111 2.694 ( 2.841 11.995 6.868) 14.111 2.873 ( 10.098 -9.265 5.486) 14.762 2.873 ( 10.098 9.265 5.486) 14.762 3.404 ( -2.741 -1.670 1.832) 3.696 3.404 ( -2.741 1.670 1.832) 3.696 3.693 ( -5.279 -7.484 3.026) 9.646 3.693 ( -5.279 7.484 3.026) 9.646 3.901 ( -0.771 -2.814 -13.179) 13.498 3.901 ( -0.771 2.814 -13.179) 13.498 4.002 ( -0.998 -10.562 -0.723) 10.634 4.002 ( -0.998 10.562 -0.723) 10.634 4.234 ( 10.557 -10.936 2.280) 15.370 4.234 ( 10.557 10.936 2.280) 15.370 4.396 ( -2.534 -7.601 -7.560) 11.016 4.396 ( -2.534 7.601 -7.560) 11.016 4.532 ( 1.765 -6.396 5.275) 8.476 4.532 ( 1.765 6.396 5.275) 8.476 4.764 ( 8.856 -6.717 -1.992) 11.292 4.764 ( 8.856 6.717 -1.992) 11.292 4.894 ( 3.039 -9.204 -4.009) 10.489 4.894 ( 3.039 9.204 -4.009) 10.489 5.140 ( -1.803 -2.996 -1.209) 3.700 5.140 ( -1.803 2.996 -1.209) 3.700 5.338 ( 6.393 -5.081 -1.070) 8.236 5.338 ( 6.393 5.081 -1.070) 8.236 5.579 ( 3.081 -5.827 7.168) 9.738 5.579 ( 3.081 5.827 7.168) 9.738 5.737 ( -2.062 -4.211 2.161) 5.162 5.737 ( -2.062 4.211 2.161) 5.162 5.878 ( 3.930 -3.061 -2.110) 5.410 5.878 ( 3.930 3.061 -2.110) 5.410 6.042 ( 4.475 -4.139 1.668) 6.320 6.042 ( 4.475 4.139 1.668) 6.320 6.293 ( 7.960 -0.412 6.806) 10.481 6.293 ( 7.960 0.412 6.806) 10.481 6.423 ( -1.951 -3.783 4.648) 6.303 6.423 ( -1.951 3.783 4.648) 6.303 6.627 ( 0.945 -0.997 0.752) 1.566 6.627 ( 0.945 0.997 0.752) 1.566 6.760 ( 0.365 -3.306 -6.227) 7.059 6.760 ( 0.365 3.306 -6.227) 7.059 6.912 ( -4.358 -7.886 -3.578) 9.695 6.912 ( -4.358 7.886 -3.578) 9.695 7.096 ( 1.215 -6.290 1.284) 6.534 7.096 ( 1.215 6.290 1.284) 6.534 7.184 ( -3.729 -2.828 -0.256) 4.687 7.184 ( -3.729 2.828 -0.256) 4.687 7.312 ( -2.474 -6.376 -4.250) 8.052 7.312 ( -2.474 6.376 -4.250) 8.052 7.630 ( -2.394 -5.709 3.538) 7.131 7.630 ( -2.394 5.709 3.538) 7.131 7.836 ( -2.078 -1.142 -3.151) 3.944 7.836 ( -2.078 1.142 -3.151) 3.944 7.961 ( 3.106 -5.526 -4.044) 7.519 7.961 ( 3.106 5.526 -4.044) 7.519 8.126 ( -5.809 -3.254 3.850) 7.692 8.126 ( -5.809 3.254 3.850) 7.692 8.193 ( -3.533 -3.655 -1.903) 5.428 8.193 ( -3.533 3.655 -1.903) 5.428 8.511 ( -1.371 -4.605 -3.054) 5.693 8.511 ( -1.371 4.605 -3.054) 5.693 8.706 ( -4.228 -9.553 0.595) 10.463 8.706 ( -4.228 9.553 0.595) 10.463 9.011 ( -2.445 -0.657 -1.117) 2.767 9.011 ( -2.445 0.657 -1.117) 2.767 9.438 ( 1.295 -7.660 -2.108) 8.050 9.438 ( 1.295 7.660 -2.108) 8.050 9.636 ( -0.788 -3.165 3.282) 4.627 9.636 ( -0.788 3.165 3.282) 4.627 9.812 ( -5.053 -2.505 1.946) 5.966 9.812 ( -5.053 2.505 1.946) 5.966 10.120 ( -6.492 -2.766 -7.792) 10.513 10.120 ( -6.492 2.766 -7.792) 10.513 10.243 ( -4.631 -1.298 4.367) 6.496 10.243 ( -4.631 1.298 4.367) 6.496 10.604 ( 11.183 -1.605 1.935) 11.462 10.604 ( 11.183 1.605 1.935) 11.462 10.953 ( 3.921 -4.019 2.764) 6.258 10.953 ( 3.921 4.019 2.764) 6.258 11.678 ( 0.387 -1.156 -0.660) 1.386 11.678 ( 0.387 1.156 -0.660) 1.386 12.000 ( 1.755 -7.335 1.904) 7.779 12.000 ( 1.755 7.335 1.904) 7.779 12.697 ( -0.787 -1.170 0.086) 1.413 12.697 ( -0.787 1.170 0.086) 1.413 13.081 ( -2.344 -4.599 -0.049) 5.162 13.081 ( -2.344 4.599 -0.049) 5.162 13.435 ( -6.390 -2.728 -0.986) 7.018 13.435 ( -6.390 2.728 -0.986) 7.018 13.586 ( 2.251 -1.229 -1.650) 3.050 13.586 ( 2.251 1.229 -1.650) 3.050 13.958 ( -15.872 -2.673 -9.420) 18.649 13.958 ( -15.872 2.673 -9.420) 18.649 14.261 ( -0.817 -2.640 8.356) 8.802 14.261 ( -0.817 2.640 8.356) 8.802 14.822 ( 5.122 -2.230 1.184) 5.710 14.822 ( 5.122 2.230 1.184) 5.710 15.155 ( 6.164 -1.888 0.107) 6.447 15.155 ( 6.164 1.888 0.107) 6.447 15.431 ( -0.352 -2.517 4.969) 5.581 15.431 ( -0.352 2.517 4.969) 5.581 15.684 ( 1.818 -1.562 -3.340) 4.111 15.684 ( 1.818 1.562 -3.340) 4.111 15.969 ( 3.783 -1.539 0.183) 4.088 15.969 ( 3.783 1.539 0.183) 4.088 16.282 ( 5.118 -4.659 1.214) 7.027 16.282 ( 5.118 4.659 1.214) 7.027 19.296 ( -5.447 -3.831 -3.587) 7.564 19.296 ( -5.447 3.831 -3.587) 7.564 19.560 ( 3.747 -1.334 2.289) 4.589 19.560 ( 3.747 1.334 2.289) 4.589 24.924 ( 1.853 -1.143 2.012) 2.965 24.924 ( 1.853 1.143 2.012) 2.965 25.026 ( 2.850 -3.524 2.696) 5.274 25.026 ( 2.850 3.524 2.696) 5.274 26.303 ( 0.801 -1.741 -0.540) 1.991 26.303 ( 0.801 1.741 -0.540) 1.991 26.670 ( -0.688 -3.202 -2.602) 4.183 26.670 ( -0.688 3.202 -2.602) 4.183 27.692 ( -0.186 -0.833 -0.663) 1.081 27.692 ( -0.186 0.833 -0.663) 1.081 27.779 ( -2.127 -1.765 -0.782) 2.873 27.779 ( -2.127 1.765 -0.782) 2.873 27.917 ( 0.867 -3.168 3.048) 4.481 27.917 ( 0.867 3.168 3.048) 4.481 28.059 ( 1.325 -1.339 -1.928) 2.696 28.059 ( 1.325 1.339 -1.928) 2.696 28.342 ( 1.532 -1.973 4.812) 5.422 28.342 ( 1.532 1.973 4.812) 5.422 28.649 ( 3.527 -3.191 -3.122) 5.689 28.649 ( 3.527 3.191 -3.122) 5.689 28.933 ( -0.299 -6.008 4.642) 7.599 28.933 ( -0.299 6.008 4.642) 7.599 29.050 ( -2.642 -6.429 -0.357) 6.960 29.050 ( -2.642 6.429 -0.357) 6.960 30.008 ( -0.188 -3.039 2.949) 4.238 30.008 ( -0.188 3.039 2.949) 4.238 30.337 ( -5.929 -5.041 -9.141) 12.005 30.337 ( -5.929 5.041 -9.141) 12.005 ======================= Grid point 27 (16/72) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -1.642 -3.405 -1.704) 4.147 2.203 ( -1.643 3.405 -1.704) 4.147 2.679 ( 1.301 -5.193 3.921) 6.635 2.679 ( 1.301 5.193 3.921) 6.635 2.866 ( 4.654 -3.772 0.885) 6.056 2.866 ( 4.654 3.772 0.885) 6.056 3.035 ( 3.518 -6.297 -1.443) 7.356 3.035 ( 3.518 6.297 -1.443) 7.356 3.361 ( -4.105 -2.397 0.512) 4.781 3.361 ( -4.105 2.397 0.512) 4.781 3.627 ( -0.365 -7.633 3.155) 8.267 3.627 ( -0.365 7.633 3.155) 8.267 3.834 ( 1.455 -3.936 0.214) 4.201 3.834 ( 1.455 3.936 0.214) 4.201 3.931 ( -3.851 -15.699 -3.565) 16.552 3.931 ( -3.851 15.699 -3.565) 16.552 4.213 ( -1.157 -2.960 -7.679) 8.310 4.213 ( -1.157 2.960 -7.679) 8.310 4.383 ( -0.081 -3.758 -1.358) 3.997 4.383 ( -0.081 3.758 -1.358) 3.997 4.614 ( 1.244 -9.796 3.328) 10.420 4.614 ( 1.244 9.796 3.328) 10.420 4.912 ( 2.388 -5.666 -2.147) 6.513 4.912 ( 2.388 5.666 -2.147) 6.513 5.000 ( 8.108 -5.256 1.342) 9.755 5.000 ( 8.108 5.256 1.342) 9.755 5.186 ( 4.585 -3.783 5.138) 7.857 5.186 ( 4.585 3.783 5.138) 7.857 5.370 ( 2.326 -6.101 -3.322) 7.326 5.370 ( 2.326 6.101 -3.322) 7.326 5.603 ( -2.808 -2.236 0.308) 3.603 5.603 ( -2.808 2.236 0.308) 3.603 5.885 ( 5.186 -5.396 5.120) 9.067 5.885 ( 5.186 5.396 5.120) 9.067 5.911 ( 1.827 -2.395 0.001) 3.012 5.911 ( 1.827 2.395 0.001) 3.012 6.135 ( 5.254 -3.735 2.574) 6.941 6.135 ( 5.254 3.735 2.574) 6.941 6.293 ( -4.556 -3.083 -0.428) 5.518 6.293 ( -4.556 3.083 -0.428) 5.518 6.558 ( 3.414 -1.272 5.658) 6.730 6.558 ( 3.414 1.272 5.658) 6.730 6.665 ( -1.848 -1.862 -1.582) 3.063 6.665 ( -1.848 1.862 -1.582) 3.063 6.717 ( 1.790 -3.542 0.319) 3.982 6.717 ( 1.790 3.542 0.319) 3.982 6.844 ( 1.871 -7.256 -2.843) 8.014 6.844 ( 1.871 7.256 -2.843) 8.014 7.027 ( -6.399 -1.523 -4.123) 7.763 7.027 ( -6.399 1.523 -4.123) 7.763 7.127 ( -3.607 -5.779 3.814) 7.807 7.127 ( -3.607 5.779 3.814) 7.807 7.226 ( -0.466 -3.678 -5.428) 6.573 7.226 ( -0.466 3.678 -5.428) 6.573 7.614 ( -0.804 -3.516 0.975) 3.736 7.614 ( -0.804 3.516 0.975) 3.736 7.774 ( -0.743 -2.896 -3.313) 4.463 7.774 ( -0.743 2.896 -3.313) 4.463 7.900 ( -2.980 -1.093 -4.761) 5.722 7.900 ( -2.980 1.093 -4.761) 5.722 8.015 ( -3.361 -1.433 0.709) 3.722 8.015 ( -3.361 1.433 0.709) 3.722 8.169 ( -0.587 -2.377 2.084) 3.215 8.169 ( -0.587 2.377 2.084) 3.215 8.469 ( -1.047 -6.199 -0.389) 6.299 8.469 ( -1.047 6.199 -0.389) 6.299 8.778 ( 5.755 -1.659 2.816) 6.619 8.778 ( 5.755 1.659 2.816) 6.619 8.986 ( -2.163 -7.070 0.998) 7.460 8.986 ( -2.163 7.070 0.998) 7.460 9.432 ( 0.749 -9.752 -2.097) 10.003 9.432 ( 0.749 9.752 -2.097) 10.003 9.503 ( -6.462 -3.772 -0.992) 7.548 9.503 ( -6.462 3.772 -0.992) 7.548 9.897 ( -0.944 -6.919 1.038) 7.060 9.897 ( -0.944 6.919 1.038) 7.060 9.952 ( 1.409 -3.105 -0.960) 3.543 9.952 ( 1.409 3.105 -0.960) 3.543 10.267 ( -0.380 -3.262 3.432) 4.751 10.267 ( -0.380 3.262 3.432) 4.751 10.788 ( 4.225 -3.103 1.187) 5.375 10.788 ( 4.225 3.103 1.187) 5.375 11.036 ( 2.859 -4.693 1.447) 5.683 11.036 ( 2.859 4.693 1.447) 5.683 11.718 ( 3.629 -2.652 0.789) 4.563 11.718 ( 3.629 2.652 0.789) 4.563 11.976 ( -4.188 -8.348 -0.688) 9.365 11.976 ( -4.188 8.348 -0.688) 9.365 12.696 ( 0.445 -0.397 0.303) 0.669 12.696 ( 0.445 0.397 0.303) 0.669 13.014 ( -4.109 -2.093 -0.916) 4.702 13.014 ( -4.109 2.093 -0.916) 4.702 13.265 ( -4.569 -4.890 -4.655) 8.152 13.265 ( -4.569 4.890 -4.655) 8.152 13.596 ( -0.378 -1.390 -2.822) 3.169 13.596 ( -0.378 1.390 -2.822) 3.169 13.739 ( -1.410 -1.170 1.152) 2.164 13.739 ( -1.410 1.170 1.152) 2.164 14.244 ( -3.270 -3.109 0.465) 4.537 14.244 ( -3.270 3.109 0.465) 4.537 14.890 ( 1.298 -3.391 0.957) 3.755 14.890 ( 1.298 3.391 0.957) 3.755 15.299 ( 4.502 -1.933 2.214) 5.377 15.299 ( 4.502 1.933 2.214) 5.377 15.454 ( -0.603 -3.332 1.510) 3.707 15.454 ( -0.603 3.332 1.510) 3.707 15.688 ( 0.914 -3.233 -1.047) 3.519 15.688 ( 0.914 3.233 -1.047) 3.519 16.017 ( 1.375 -0.717 -0.024) 1.551 16.017 ( 1.375 0.717 -0.024) 1.551 16.349 ( 1.672 -3.292 -0.048) 3.693 16.349 ( 1.672 3.292 -0.048) 3.693 19.186 ( -2.307 -2.043 -1.884) 3.612 19.186 ( -2.307 2.043 -1.884) 3.612 19.654 ( 2.324 -2.214 1.904) 3.733 19.654 ( 2.324 2.214 1.904) 3.733 24.961 ( 0.637 -0.598 0.713) 1.127 24.961 ( 0.637 0.598 0.713) 1.127 25.087 ( 1.170 -3.599 1.217) 3.975 25.087 ( 1.170 3.599 1.217) 3.975 26.309 ( 0.277 -0.578 -0.244) 0.686 26.309 ( 0.277 0.578 -0.244) 0.686 26.641 ( -0.229 -3.565 -1.136) 3.748 26.641 ( -0.229 3.565 -1.136) 3.748 27.666 ( -0.674 -2.006 -1.220) 2.442 27.666 ( -0.674 2.006 -1.220) 2.442 27.750 ( -0.869 -2.641 0.289) 2.795 27.750 ( -0.869 2.641 0.289) 2.795 27.944 ( 0.133 -4.123 0.833) 4.209 27.944 ( 0.133 4.123 0.833) 4.209 28.064 ( 0.539 -2.112 -0.679) 2.283 28.064 ( 0.539 2.112 -0.679) 2.283 28.406 ( 0.877 -0.843 2.243) 2.552 28.406 ( 0.877 0.843 2.243) 2.552 28.655 ( 0.355 -1.245 -1.673) 2.116 28.655 ( 0.355 1.245 -1.673) 2.116 29.001 ( 1.870 -7.752 1.648) 8.143 29.001 ( 1.870 7.752 1.648) 8.143 29.028 ( -0.423 -11.002 2.046) 11.198 29.028 ( -0.423 11.002 2.046) 11.198 29.883 ( -5.571 -5.293 -4.036) 8.680 29.883 ( -5.571 5.293 -4.036) 8.680 30.308 ( 1.990 -4.343 0.291) 4.786 30.308 ( 1.990 4.343 0.291) 4.786 ======================= Grid point 49 (17/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -2.124 0.000 38.905) 38.963 1.047 ( 6.783 0.000 45.868) 46.367 1.419 ( 0.630 0.000 61.720) 61.723 1.895 ( 5.922 0.000 15.329) 16.433 2.152 ( -5.704 0.000 11.379) 12.729 2.713 ( 7.903 0.000 0.231) 7.906 2.941 ( 10.518 0.000 -13.666) 17.246 3.144 ( 12.275 0.000 -14.601) 19.075 3.345 ( 3.297 0.000 -11.681) 12.137 3.501 ( 1.286 0.000 -13.633) 13.693 3.703 ( 3.115 0.000 -13.694) 14.044 3.716 ( -5.221 0.000 -10.448) 11.680 3.789 ( -3.640 0.000 -3.506) 5.054 3.920 ( -9.131 0.000 -2.010) 9.349 3.937 ( -2.862 0.000 -1.279) 3.135 4.089 ( 1.961 0.000 9.886) 10.078 4.209 ( 0.442 0.000 10.648) 10.658 4.278 ( -1.131 0.000 1.973) 2.274 4.288 ( -10.839 0.000 -8.561) 13.812 4.443 ( 7.109 0.000 -4.238) 8.277 4.644 ( -0.682 0.000 -4.200) 4.255 4.666 ( -1.418 0.000 8.191) 8.313 4.693 ( 2.115 0.000 -2.685) 3.418 4.851 ( 8.195 0.000 -2.712) 8.633 4.896 ( 4.291 0.000 -5.042) 6.621 4.930 ( 5.335 0.000 3.192) 6.217 5.008 ( 1.154 0.000 -2.038) 2.342 5.081 ( -0.929 0.000 7.380) 7.438 5.232 ( -4.717 0.000 5.936) 7.582 5.263 ( -3.747 0.000 2.623) 4.573 5.416 ( 3.104 0.000 -6.835) 7.507 5.486 ( -2.252 0.000 3.557) 4.210 5.506 ( -3.644 0.000 1.956) 4.136 5.614 ( -6.366 0.000 2.307) 6.771 5.619 ( -7.648 0.000 9.532) 12.221 5.771 ( 0.597 0.000 1.712) 1.813 5.989 ( 6.002 0.000 -4.162) 7.304 6.127 ( 2.140 0.000 -11.283) 11.484 6.190 ( 9.461 0.000 1.467) 9.574 6.283 ( 13.601 0.000 0.235) 13.603 6.368 ( 1.027 0.000 1.663) 1.955 6.432 ( -7.496 0.000 -0.427) 7.508 6.546 ( 3.402 0.000 -0.184) 3.407 6.615 ( 2.050 0.000 -4.096) 4.580 6.676 ( -7.147 0.000 4.178) 8.278 6.760 ( -3.283 0.000 -6.276) 7.083 6.915 ( -0.622 0.000 0.637) 0.891 7.047 ( 6.021 0.000 -3.644) 7.038 7.068 ( 2.778 0.000 -2.399) 3.670 7.267 ( 3.569 0.000 0.707) 3.638 7.296 ( 4.229 0.000 1.885) 4.630 7.352 ( -1.757 0.000 3.172) 3.626 7.430 ( -3.105 0.000 6.009) 6.764 7.478 ( 0.815 0.000 -2.485) 2.615 7.637 ( 4.914 0.000 5.795) 7.598 7.675 ( -2.070 0.000 -0.263) 2.087 7.723 ( 3.177 0.000 -5.507) 6.357 7.843 ( 3.386 0.000 5.419) 6.390 7.913 ( -7.988 0.000 -2.739) 8.444 8.107 ( 2.199 0.000 -1.489) 2.656 8.133 ( -2.785 0.000 1.693) 3.259 8.264 ( 5.147 0.000 -1.162) 5.277 8.359 ( 3.076 0.000 -1.939) 3.636 8.484 ( 1.729 0.000 0.717) 1.872 8.570 ( -2.923 0.000 -2.212) 3.665 8.618 ( 6.450 0.000 10.341) 12.188 8.737 ( -10.001 0.000 -6.873) 12.134 9.069 ( -21.772 0.000 -2.254) 21.888 9.073 ( 0.431 0.000 5.449) 5.466 9.185 ( -16.785 0.000 0.087) 16.785 9.198 ( -1.498 0.000 0.786) 1.692 9.483 ( -7.973 0.000 -11.863) 14.293 9.516 ( 4.975 0.000 3.605) 6.144 9.686 ( -2.830 0.000 -2.505) 3.780 9.766 ( -1.037 0.000 -4.832) 4.942 10.000 ( -2.235 0.000 -2.937) 3.691 10.075 ( 3.331 0.000 -1.306) 3.578 10.194 ( -11.400 0.000 -8.747) 14.369 10.315 ( -1.586 0.000 3.231) 3.599 10.330 ( 1.225 0.000 10.662) 10.732 10.485 ( -6.280 0.000 -0.563) 6.306 10.509 ( 1.914 0.000 -1.236) 2.278 10.793 ( -3.697 0.000 0.630) 3.751 10.856 ( 10.794 0.000 4.078) 11.538 11.386 ( 0.279 0.000 3.096) 3.108 11.828 ( 2.711 0.000 1.706) 3.203 12.078 ( 7.971 0.000 2.270) 8.288 12.149 ( -18.258 0.000 -5.560) 19.085 12.847 ( 0.617 0.000 -2.466) 2.542 12.890 ( -0.833 0.000 -3.258) 3.363 13.031 ( -4.274 0.000 -3.183) 5.329 13.068 ( -3.957 0.000 0.138) 3.959 13.378 ( -3.642 0.000 -1.328) 3.877 13.419 ( 9.680 0.000 -2.696) 10.048 13.694 ( -1.044 0.000 2.873) 3.057 13.706 ( 0.836 0.000 1.001) 1.304 13.905 ( 8.317 0.000 15.037) 17.184 14.137 ( 76.126 0.000 8.577) 76.608 14.386 ( 1.116 0.000 2.393) 2.641 14.551 ( 2.476 0.000 1.781) 3.050 14.753 ( -2.266 0.000 1.613) 2.781 14.887 ( -3.073 0.000 -8.666) 9.195 15.010 ( -18.598 0.000 -5.468) 19.385 15.157 ( -0.683 0.000 -7.604) 7.634 15.318 ( -1.253 0.000 -0.753) 1.462 15.563 ( -0.575 0.000 0.589) 0.823 15.625 ( 1.850 0.000 -1.297) 2.259 15.747 ( -6.271 0.000 1.570) 6.465 15.839 ( -5.857 0.000 -1.892) 6.155 15.898 ( -0.511 0.000 -0.630) 0.812 15.993 ( 6.327 0.000 4.404) 7.709 16.256 ( 6.241 0.000 -0.430) 6.256 19.079 ( 3.907 0.000 3.275) 5.098 19.373 ( 4.159 0.000 4.651) 6.239 19.430 ( -4.057 0.000 -4.009) 5.704 19.790 ( -3.954 0.000 -4.520) 6.005 24.827 ( 0.510 0.000 2.589) 2.639 24.875 ( 0.948 0.000 1.523) 1.794 25.009 ( -1.642 0.000 1.820) 2.451 25.149 ( 27.065 0.000 -0.539) 27.070 26.197 ( 0.144 0.000 0.981) 0.991 26.377 ( -0.076 0.000 -2.962) 2.963 26.592 ( -3.809 0.000 -0.391) 3.829 26.677 ( 0.523 0.000 -1.831) 1.904 27.597 ( 8.984 0.000 1.063) 9.047 27.673 ( -0.932 0.000 -0.421) 1.023 27.772 ( 1.882 0.000 0.426) 1.929 27.839 ( 9.665 0.000 1.862) 9.842 27.839 ( -3.604 0.000 -1.249) 3.814 27.952 ( 2.754 0.000 4.630) 5.387 28.003 ( -1.667 0.000 -0.719) 1.816 28.195 ( -3.972 0.000 -4.041) 5.666 28.334 ( -1.100 0.000 2.067) 2.341 28.422 ( 5.924 0.000 3.757) 7.015 28.573 ( 4.493 0.000 0.511) 4.522 28.829 ( -0.065 0.000 3.795) 3.796 28.844 ( -4.997 0.000 -4.674) 6.842 28.977 ( 0.908 0.000 -1.831) 2.044 29.298 ( 3.587 0.000 -0.152) 3.590 29.308 ( 0.020 0.000 -4.882) 4.882 29.712 ( 10.230 0.000 2.120) 10.448 29.779 ( 0.551 0.000 10.835) 10.849 30.069 ( -53.496 0.000 -3.272) 53.596 30.648 ( -1.298 0.000 -8.399) 8.499 ======================= Grid point 50 (18/72) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 15.077 0.000 32.485) 35.813 1.493 ( 6.170 0.000 40.360) 40.828 2.177 ( 5.989 0.000 7.692) 9.748 2.327 ( 19.441 0.000 16.869) 25.740 2.619 ( 37.503 0.000 40.474) 55.179 2.916 ( 11.286 0.000 -2.262) 11.510 2.970 ( 12.170 0.000 -17.111) 20.998 3.087 ( -3.270 0.000 -23.006) 23.237 3.273 ( -16.783 0.000 -27.657) 32.351 3.343 ( 15.272 0.000 -9.870) 18.184 3.451 ( -1.084 0.000 -8.312) 8.382 3.613 ( -3.085 0.000 -11.198) 11.615 3.756 ( 4.083 0.000 -5.472) 6.828 3.865 ( -0.992 0.000 9.992) 10.041 3.877 ( -12.886 0.000 -2.069) 13.051 3.988 ( 3.963 0.000 4.060) 5.673 4.154 ( -1.554 0.000 5.888) 6.090 4.284 ( 1.224 0.000 1.299) 1.785 4.352 ( 1.350 0.000 11.599) 11.677 4.436 ( -1.832 0.000 -6.353) 6.612 4.575 ( 5.631 0.000 -7.162) 9.111 4.691 ( 2.489 0.000 -5.119) 5.692 4.796 ( 1.426 0.000 8.015) 8.140 4.921 ( 5.996 0.000 -5.975) 8.465 4.961 ( 8.362 0.000 -6.715) 10.724 5.011 ( 2.179 0.000 -0.718) 2.295 5.048 ( 7.418 0.000 -7.246) 10.370 5.119 ( -4.949 0.000 -10.721) 11.808 5.235 ( 3.857 0.000 4.236) 5.729 5.296 ( 4.291 0.000 1.495) 4.544 5.358 ( -2.570 0.000 16.545) 16.744 5.424 ( -7.599 0.000 3.190) 8.242 5.520 ( -2.854 0.000 4.891) 5.662 5.675 ( 0.494 0.000 5.920) 5.940 5.725 ( 7.955 0.000 6.435) 10.232 5.786 ( -0.287 0.000 -0.648) 0.708 5.967 ( -0.520 0.000 0.258) 0.580 5.972 ( -7.006 0.000 -7.166) 10.022 6.252 ( -2.774 0.000 -7.159) 7.678 6.293 ( 0.418 0.000 5.995) 6.009 6.410 ( -2.255 0.000 3.455) 4.125 6.514 ( 2.240 0.000 -10.522) 10.758 6.547 ( -3.857 0.000 2.976) 4.871 6.578 ( 0.166 0.000 -1.489) 1.498 6.619 ( 7.892 0.000 -4.006) 8.851 6.665 ( -1.530 0.000 -5.199) 5.419 6.954 ( 1.055 0.000 4.428) 4.552 7.073 ( 0.542 0.000 -0.120) 0.556 7.114 ( 4.588 0.000 -7.900) 9.136 7.249 ( -9.100 0.000 -2.102) 9.340 7.253 ( 0.699 0.000 -9.671) 9.696 7.301 ( -5.545 0.000 -4.885) 7.390 7.433 ( 0.380 0.000 0.843) 0.925 7.463 ( 0.095 0.000 0.943) 0.948 7.562 ( -4.981 0.000 -1.123) 5.106 7.719 ( -1.543 0.000 6.918) 7.088 7.752 ( -5.156 0.000 1.135) 5.280 7.794 ( 0.359 0.000 5.795) 5.806 8.006 ( -1.050 0.000 11.471) 11.519 8.080 ( -15.820 0.000 2.003) 15.947 8.115 ( -1.197 0.000 2.684) 2.939 8.166 ( -11.666 0.000 2.182) 11.868 8.297 ( -2.338 0.000 -2.639) 3.526 8.304 ( -1.628 0.000 -7.279) 7.459 8.458 ( -5.581 0.000 -0.878) 5.650 8.614 ( 11.508 0.000 0.959) 11.548 8.773 ( -12.015 0.000 0.089) 12.016 8.986 ( 15.612 0.000 13.647) 20.736 9.102 ( 0.401 0.000 7.340) 7.351 9.114 ( -12.209 0.000 -10.303) 15.976 9.357 ( 11.405 0.000 4.700) 12.336 9.390 ( 6.028 0.000 -5.770) 8.344 9.459 ( -5.872 0.000 -1.683) 6.108 9.626 ( -2.574 0.000 0.875) 2.719 9.851 ( 4.706 0.000 -0.852) 4.783 9.884 ( -6.576 0.000 -0.518) 6.596 9.902 ( -2.913 0.000 -9.902) 10.322 10.067 ( -0.444 0.000 -1.086) 1.173 10.364 ( -4.319 0.000 -2.403) 4.943 10.437 ( 4.046 0.000 7.421) 8.452 10.501 ( 2.715 0.000 3.504) 4.432 10.681 ( -0.356 0.000 3.064) 3.084 10.697 ( 12.213 0.000 2.605) 12.488 11.070 ( 11.499 0.000 -2.425) 11.752 11.495 ( 3.872 0.000 7.378) 8.332 11.827 ( -9.508 0.000 -7.323) 12.001 11.899 ( -1.261 0.000 2.475) 2.778 12.284 ( 9.473 0.000 0.873) 9.514 12.802 ( -2.519 0.000 -1.950) 3.186 12.810 ( -0.829 0.000 -1.456) 1.675 12.980 ( -4.238 0.000 -0.798) 4.313 13.085 ( 6.795 0.000 2.090) 7.109 13.302 ( -2.740 0.000 -0.614) 2.808 13.478 ( 2.298 0.000 -3.806) 4.446 13.671 ( -3.581 0.000 2.296) 4.254 13.696 ( -3.990 0.000 -0.057) 3.990 14.173 ( -22.500 0.000 -10.248) 24.724 14.222 ( 4.436 0.000 12.664) 13.418 14.433 ( -24.026 0.000 -11.813) 26.773 14.596 ( -1.646 0.000 0.310) 1.675 14.689 ( -3.476 0.000 -5.458) 6.471 14.774 ( 8.059 0.000 1.898) 8.279 14.843 ( 1.896 0.000 -0.204) 1.907 15.237 ( 16.130 0.000 0.447) 16.136 15.289 ( -0.480 0.000 1.146) 1.243 15.565 ( -2.362 0.000 -4.950) 5.485 15.682 ( 5.705 0.000 -0.044) 5.705 15.728 ( -4.154 0.000 -1.239) 4.335 15.754 ( 2.234 0.000 6.837) 7.193 15.928 ( 4.454 0.000 -2.666) 5.191 16.152 ( 5.312 0.000 4.180) 6.760 16.313 ( 3.230 0.000 -6.788) 7.517 19.263 ( 9.486 0.000 5.903) 11.173 19.316 ( -2.069 0.000 -6.769) 7.078 19.534 ( 5.728 0.000 7.118) 9.136 19.609 ( -7.780 0.000 -7.023) 10.481 24.875 ( 1.565 0.000 2.539) 2.983 24.933 ( 3.383 0.000 1.217) 3.596 24.997 ( -0.922 0.000 0.241) 0.953 25.370 ( 5.738 0.000 -6.409) 8.602 26.252 ( 3.875 0.000 1.101) 4.028 26.343 ( 0.037 0.000 -3.256) 3.256 26.526 ( -3.084 0.000 -0.499) 3.124 26.674 ( 0.845 0.000 -1.283) 1.537 27.626 ( -2.905 0.000 -1.889) 3.465 27.659 ( 0.161 0.000 0.628) 0.648 27.748 ( -3.312 0.000 -2.968) 4.448 27.804 ( -0.363 0.000 2.908) 2.930 27.957 ( -1.626 0.000 -1.283) 2.071 28.028 ( 1.696 0.000 -0.117) 1.700 28.077 ( -4.064 0.000 -3.452) 5.332 28.083 ( 9.841 0.000 3.994) 10.621 28.318 ( -1.939 0.000 0.987) 2.176 28.550 ( 0.973 0.000 2.048) 2.267 28.631 ( 0.693 0.000 2.606) 2.697 28.683 ( -2.251 0.000 -5.473) 5.918 28.807 ( -7.617 0.000 4.846) 9.028 28.985 ( 0.869 0.000 -0.478) 0.992 29.256 ( 0.288 0.000 -4.559) 4.568 29.356 ( 4.651 0.000 -1.266) 4.820 29.442 ( -14.717 0.000 2.484) 14.925 29.945 ( 1.547 0.000 12.435) 12.531 29.993 ( 10.880 0.000 9.254) 14.283 30.475 ( -5.325 0.000 -11.551) 12.719 ======================= Grid point 51 (19/72) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 19.877 0.000 27.299) 33.769 2.055 ( 11.305 0.000 31.381) 33.355 2.344 ( 6.834 0.000 3.863) 7.850 2.617 ( -11.256 0.000 -33.844) 35.666 2.847 ( 0.066 0.000 -14.297) 14.297 2.853 ( 18.834 0.000 13.463) 23.151 2.954 ( 14.840 0.000 -19.707) 24.670 2.964 ( -11.147 0.000 -9.958) 14.947 3.193 ( -2.671 0.000 -5.778) 6.365 3.328 ( 0.144 0.000 -0.860) 0.872 3.410 ( -8.646 0.000 6.862) 11.038 3.633 ( -5.408 0.000 1.604) 5.641 3.687 ( 4.463 0.000 -2.574) 5.152 3.748 ( 9.892 0.000 -6.260) 11.706 4.173 ( 10.510 0.000 13.338) 16.981 4.184 ( 5.318 0.000 -0.064) 5.319 4.234 ( 6.823 0.000 6.173) 9.202 4.366 ( 9.101 0.000 -2.785) 9.517 4.419 ( 5.400 0.000 -5.826) 7.944 4.587 ( 9.841 0.000 18.648) 21.085 4.647 ( 10.268 0.000 0.805) 10.300 4.691 ( 2.229 0.000 4.909) 5.392 4.839 ( -3.746 0.000 -2.287) 4.389 4.861 ( -2.462 0.000 -15.105) 15.305 5.006 ( -2.768 0.000 1.667) 3.231 5.042 ( 19.002 0.000 -13.413) 23.259 5.083 ( 10.689 0.000 1.653) 10.816 5.162 ( 9.201 0.000 -0.564) 9.218 5.318 ( -2.740 0.000 1.971) 3.375 5.432 ( 8.019 0.000 1.878) 8.236 5.433 ( 2.922 0.000 0.310) 2.939 5.486 ( -0.772 0.000 11.817) 11.842 5.500 ( -8.336 0.000 -4.907) 9.673 5.533 ( -3.060 0.000 10.587) 11.021 5.785 ( -2.031 0.000 -2.320) 3.083 5.859 ( 3.592 0.000 1.143) 3.770 5.874 ( -4.259 0.000 4.720) 6.358 6.011 ( -1.622 0.000 5.216) 5.462 6.223 ( 6.188 0.000 -8.111) 10.202 6.257 ( -10.845 0.000 -8.403) 13.720 6.325 ( -4.804 0.000 3.983) 6.240 6.342 ( -6.847 0.000 2.149) 7.177 6.557 ( -2.486 0.000 0.603) 2.558 6.565 ( 0.918 0.000 -6.337) 6.403 6.664 ( 3.787 0.000 2.898) 4.769 6.678 ( 0.821 0.000 -3.550) 3.644 6.950 ( -0.632 0.000 -3.441) 3.498 7.035 ( -8.982 0.000 -10.538) 13.847 7.049 ( -4.831 0.000 -5.649) 7.433 7.097 ( -6.129 0.000 -1.029) 6.215 7.161 ( -4.220 0.000 -5.060) 6.588 7.181 ( 4.290 0.000 6.617) 7.886 7.372 ( -1.285 0.000 -4.889) 5.055 7.436 ( -0.982 0.000 -3.889) 4.011 7.498 ( -2.475 0.000 1.729) 3.020 7.690 ( -5.583 0.000 2.797) 6.245 7.753 ( -11.232 0.000 -2.751) 11.564 7.769 ( 3.683 0.000 1.975) 4.179 7.857 ( -2.698 0.000 10.026) 10.383 7.964 ( -6.990 0.000 0.992) 7.060 8.108 ( -4.492 0.000 2.626) 5.204 8.142 ( -4.192 0.000 10.902) 11.680 8.176 ( -4.484 0.000 -7.862) 9.051 8.265 ( -0.208 0.000 -1.905) 1.917 8.376 ( -4.212 0.000 2.922) 5.126 8.549 ( -8.583 0.000 -1.773) 8.765 8.916 ( 11.016 0.000 7.694) 13.437 8.941 ( 0.134 0.000 1.862) 1.867 9.114 ( 8.037 0.000 -7.226) 10.808 9.276 ( -5.318 0.000 2.200) 5.755 9.372 ( -2.125 0.000 -3.615) 4.193 9.387 ( -11.009 0.000 -9.323) 14.427 9.530 ( 7.072 0.000 4.297) 8.275 9.581 ( 5.371 0.000 10.358) 11.668 9.776 ( 2.133 0.000 5.999) 6.367 9.923 ( -1.412 0.000 -0.180) 1.423 9.991 ( 7.261 0.000 1.687) 7.454 10.078 ( 2.484 0.000 1.121) 2.725 10.177 ( -6.607 0.000 -0.232) 6.611 10.548 ( 0.497 0.000 3.389) 3.426 10.637 ( 8.005 0.000 1.066) 8.076 10.836 ( 6.909 0.000 3.772) 7.871 10.901 ( 8.686 0.000 -1.786) 8.867 11.220 ( 8.976 0.000 -5.310) 10.429 11.598 ( -0.235 0.000 4.025) 4.032 11.608 ( -5.557 0.000 -5.142) 7.571 11.886 ( -0.694 0.000 -0.502) 0.857 12.388 ( 3.528 0.000 -2.015) 4.063 12.738 ( -2.622 0.000 0.385) 2.650 12.827 ( 1.289 0.000 0.190) 1.303 12.966 ( -1.365 0.000 5.259) 5.434 13.216 ( -7.325 0.000 -5.825) 9.358 13.252 ( 9.328 0.000 0.451) 9.339 13.372 ( -15.497 0.000 -15.150) 21.672 13.475 ( 0.262 0.000 -0.561) 0.619 13.628 ( -2.400 0.000 0.376) 2.429 13.788 ( -7.242 0.000 -1.160) 7.334 13.939 ( -16.214 0.000 -6.855) 17.604 14.242 ( -8.016 0.000 0.570) 8.036 14.515 ( -4.943 0.000 0.912) 5.027 14.606 ( -0.559 0.000 -3.500) 3.545 14.886 ( 0.204 0.000 3.040) 3.047 14.942 ( 5.697 0.000 5.019) 7.593 15.334 ( 2.424 0.000 2.765) 3.677 15.448 ( -0.529 0.000 -8.189) 8.206 15.512 ( 5.022 0.000 5.102) 7.159 15.651 ( -3.026 0.000 -1.474) 3.366 15.784 ( 2.993 0.000 4.586) 5.476 15.920 ( 8.206 0.000 5.164) 9.696 15.989 ( 4.713 0.000 -1.606) 4.979 16.254 ( -0.327 0.000 -7.344) 7.352 16.262 ( 2.876 0.000 2.381) 3.734 19.219 ( -1.603 0.000 -4.900) 5.156 19.426 ( -4.136 0.000 -4.839) 6.365 19.480 ( 7.082 0.000 3.919) 8.094 19.683 ( 2.735 0.000 4.864) 5.580 24.928 ( 1.696 0.000 1.429) 2.217 24.979 ( -0.111 0.000 -1.783) 1.787 25.003 ( 3.643 0.000 -0.918) 3.757 25.348 ( -0.142 0.000 -5.454) 5.456 26.319 ( 0.562 0.000 -1.971) 2.050 26.325 ( 2.819 0.000 -0.688) 2.902 26.488 ( -1.705 0.000 3.307) 3.721 26.681 ( 0.821 0.000 -0.215) 0.849 27.550 ( -2.121 0.000 -2.277) 3.111 27.654 ( -1.294 0.000 0.735) 1.488 27.677 ( -1.498 0.000 -1.422) 2.066 27.816 ( -1.731 0.000 3.081) 3.534 27.932 ( -0.096 0.000 -0.317) 0.331 27.985 ( -2.562 0.000 -2.529) 3.600 27.996 ( -5.369 0.000 3.000) 6.150 28.248 ( 1.905 0.000 2.472) 3.121 28.333 ( 5.431 0.000 -0.687) 5.474 28.437 ( -6.046 0.000 -3.355) 6.914 28.640 ( -3.352 0.000 1.793) 3.802 28.727 ( 4.788 0.000 -1.801) 5.115 28.752 ( -3.127 0.000 6.086) 6.842 29.000 ( 0.936 0.000 0.395) 1.016 29.206 ( -1.561 0.000 -1.139) 1.932 29.354 ( 2.241 0.000 -4.410) 4.946 29.456 ( 8.027 0.000 -1.899) 8.248 30.077 ( -0.506 0.000 10.724) 10.735 30.107 ( -8.692 0.000 -0.982) 8.747 30.366 ( 5.547 0.000 -0.563) 5.575 ======================= Grid point 52 (20/72) ======================= q-point: (-0.57 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 4.603 0.000 -17.817) 18.402 2.414 ( -0.374 0.000 15.842) 15.847 2.463 ( -17.014 0.000 -10.863) 20.186 2.490 ( -0.562 0.000 10.260) 10.275 2.647 ( 15.963 0.000 18.365) 24.332 2.748 ( -4.105 0.000 -8.248) 9.213 3.090 ( 11.343 0.000 -9.452) 14.765 3.144 ( 3.087 0.000 -5.328) 6.158 3.208 ( 5.635 0.000 4.624) 7.289 3.261 ( 5.616 0.000 9.069) 10.667 3.425 ( 1.367 0.000 8.511) 8.620 3.554 ( -3.888 0.000 -0.852) 3.980 3.715 ( 4.208 0.000 -3.419) 5.422 3.834 ( 6.928 0.000 -3.341) 7.692 4.209 ( 0.504 0.000 -4.048) 4.079 4.220 ( -0.571 0.000 -5.180) 5.212 4.356 ( 0.569 0.000 3.686) 3.729 4.368 ( -2.471 0.000 -2.923) 3.828 4.507 ( -1.511 0.000 0.140) 1.518 4.614 ( -4.979 0.000 -5.822) 7.661 4.673 ( -3.189 0.000 -11.372) 11.811 4.817 ( 4.376 0.000 0.234) 4.382 4.937 ( 1.840 0.000 3.160) 3.656 4.963 ( 15.200 0.000 3.191) 15.531 5.164 ( -2.642 0.000 -1.878) 3.241 5.204 ( -1.451 0.000 15.329) 15.397 5.227 ( 7.063 0.000 -12.968) 14.767 5.286 ( 5.429 0.000 2.750) 6.086 5.299 ( 5.083 0.000 -7.789) 9.300 5.434 ( -6.917 0.000 6.096) 9.219 5.497 ( 7.368 0.000 4.225) 8.494 5.517 ( -3.366 0.000 8.999) 9.608 5.581 ( 3.888 0.000 7.107) 8.101 5.723 ( 3.503 0.000 2.422) 4.259 5.774 ( 1.645 0.000 2.365) 2.881 5.812 ( 0.903 0.000 -1.749) 1.968 5.865 ( -11.186 0.000 -1.033) 11.233 5.951 ( 3.993 0.000 -2.567) 4.747 6.052 ( -3.211 0.000 -10.701) 11.172 6.146 ( -11.139 0.000 0.120) 11.140 6.219 ( 3.594 0.000 2.662) 4.472 6.296 ( 2.344 0.000 -3.453) 4.173 6.437 ( -6.784 0.000 8.920) 11.207 6.579 ( 6.917 0.000 -3.056) 7.562 6.613 ( -1.622 0.000 -0.174) 1.631 6.700 ( -2.823 0.000 -1.257) 3.090 6.813 ( 4.243 0.000 -5.069) 6.610 6.865 ( -7.586 0.000 -9.344) 12.036 6.961 ( 0.953 0.000 0.774) 1.228 7.081 ( 3.261 0.000 -0.875) 3.376 7.169 ( 2.231 0.000 4.917) 5.399 7.263 ( -1.173 0.000 0.407) 1.241 7.371 ( -0.522 0.000 -5.298) 5.324 7.390 ( 1.716 0.000 4.602) 4.911 7.521 ( 1.618 0.000 5.302) 5.543 7.615 ( 1.143 0.000 -5.206) 5.330 7.628 ( -3.139 0.000 0.818) 3.244 7.797 ( -6.583 0.000 -1.740) 6.809 7.799 ( -2.035 0.000 -2.236) 3.024 7.936 ( -2.573 0.000 8.428) 8.812 7.967 ( -6.020 0.000 -6.153) 8.608 8.138 ( 3.465 0.000 2.474) 4.258 8.153 ( -5.702 0.000 7.272) 9.241 8.257 ( 1.117 0.000 0.482) 1.216 8.342 ( -2.964 0.000 3.824) 4.838 8.486 ( -0.419 0.000 4.154) 4.176 8.969 ( 0.714 0.000 -11.248) 11.271 9.058 ( -8.671 0.000 -4.526) 9.781 9.126 ( 9.332 0.000 7.621) 12.048 9.160 ( -8.975 0.000 -0.768) 9.008 9.226 ( 3.775 0.000 -3.230) 4.968 9.398 ( 3.196 0.000 1.831) 3.683 9.545 ( -0.831 0.000 4.346) 4.425 9.669 ( -3.856 0.000 -4.168) 5.678 9.823 ( -2.505 0.000 3.037) 3.937 10.005 ( 3.605 0.000 7.653) 8.460 10.053 ( 0.997 0.000 -0.561) 1.144 10.155 ( 0.354 0.000 2.833) 2.855 10.171 ( -1.686 0.000 5.642) 5.889 10.505 ( -3.278 0.000 -4.964) 5.949 10.736 ( 1.846 0.000 -1.603) 2.445 10.924 ( 0.687 0.000 -1.427) 1.584 10.971 ( 2.577 0.000 -4.242) 4.963 11.278 ( 5.420 0.000 -9.119) 10.608 11.535 ( 1.173 0.000 -1.897) 2.231 11.589 ( -1.965 0.000 0.590) 2.052 11.910 ( 1.339 0.000 4.576) 4.768 12.401 ( 0.013 0.000 -2.036) 2.036 12.701 ( -2.604 0.000 -1.638) 3.077 12.824 ( -0.267 0.000 -2.213) 2.229 12.865 ( -2.352 0.000 -0.469) 2.398 13.059 ( 2.634 0.000 1.267) 2.923 13.374 ( 10.904 0.000 5.239) 12.097 13.405 ( 7.743 0.000 -2.452) 8.122 13.478 ( -0.295 0.000 1.498) 1.527 13.545 ( -6.169 0.000 -5.172) 8.050 13.692 ( -2.517 0.000 0.037) 2.517 13.731 ( -5.740 0.000 2.011) 6.082 14.099 ( -3.737 0.000 -0.962) 3.859 14.425 ( -4.308 0.000 -3.084) 5.298 14.627 ( 3.882 0.000 2.043) 4.387 14.908 ( -1.497 0.000 4.216) 4.474 15.033 ( -0.692 0.000 2.476) 2.571 15.362 ( -0.087 0.000 -6.405) 6.405 15.386 ( -0.503 0.000 0.996) 1.116 15.583 ( 0.595 0.000 0.547) 0.808 15.600 ( -0.144 0.000 -0.868) 0.879 15.818 ( -3.756 0.000 0.996) 3.885 16.021 ( 0.515 0.000 -3.104) 3.146 16.067 ( 3.375 0.000 1.842) 3.845 16.272 ( 5.625 0.000 2.979) 6.365 16.299 ( -0.369 0.000 0.208) 0.424 19.190 ( 1.894 0.000 0.547) 1.971 19.377 ( 1.788 0.000 -0.954) 2.026 19.559 ( -0.111 0.000 -1.559) 1.563 19.707 ( -2.745 0.000 -0.590) 2.807 24.929 ( -0.746 0.000 -2.651) 2.754 24.987 ( 1.673 0.000 0.206) 1.686 25.033 ( 1.920 0.000 -3.472) 3.968 25.271 ( -1.067 0.000 -7.082) 7.162 26.326 ( -0.523 0.000 -1.836) 1.909 26.326 ( 1.337 0.000 -0.104) 1.341 26.539 ( 0.486 0.000 7.013) 7.029 26.698 ( 0.560 0.000 0.937) 1.092 27.525 ( 0.922 0.000 -0.125) 0.931 27.629 ( -1.687 0.000 -0.106) 1.691 27.679 ( 1.218 0.000 2.462) 2.747 27.805 ( -2.248 0.000 2.141) 3.104 27.934 ( -0.796 0.000 -1.228) 1.463 27.936 ( -4.198 0.000 2.945) 5.128 27.950 ( 1.742 0.000 0.932) 1.976 28.259 ( -0.919 0.000 0.470) 1.033 28.340 ( -0.794 0.000 -2.350) 2.480 28.415 ( 4.436 0.000 -4.158) 6.080 28.550 ( -6.821 0.000 -1.267) 6.938 28.752 ( 1.576 0.000 -4.589) 4.852 28.772 ( -1.519 0.000 4.816) 5.050 29.021 ( 0.302 0.000 0.941) 0.988 29.243 ( 2.604 0.000 7.336) 7.785 29.358 ( 3.191 0.000 -5.376) 6.251 29.573 ( 6.125 0.000 -5.702) 8.368 29.899 ( -6.072 0.000 -3.490) 7.003 30.146 ( -3.010 0.000 9.475) 9.941 30.459 ( 1.080 0.000 2.680) 2.889 ======================= Grid point 53 (21/72) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -27.653 0.000 -5.880) 28.271 2.224 ( -35.266 0.000 9.325) 36.478 2.445 ( 7.421 0.000 -6.961) 10.175 2.447 ( -5.929 0.000 2.314) 6.365 2.720 ( 5.508 0.000 1.575) 5.729 2.963 ( 2.962 0.000 -1.689) 3.409 3.183 ( 13.980 0.000 -9.359) 16.824 3.350 ( 5.826 0.000 -0.751) 5.874 3.361 ( 9.416 0.000 8.126) 12.437 3.443 ( 3.370 0.000 9.129) 9.731 3.529 ( 0.417 0.000 6.441) 6.455 3.546 ( 3.422 0.000 6.772) 7.587 3.800 ( 3.699 0.000 0.216) 3.705 3.950 ( 7.967 0.000 0.215) 7.970 4.087 ( -21.956 0.000 -12.427) 25.229 4.093 ( -4.771 0.000 -7.845) 9.182 4.180 ( -5.340 0.000 -5.645) 7.770 4.361 ( -7.956 0.000 1.960) 8.194 4.381 ( 4.388 0.000 -4.624) 6.375 4.495 ( -3.025 0.000 1.164) 3.241 4.548 ( -1.245 0.000 -1.918) 2.286 4.722 ( -7.391 0.000 4.707) 8.763 4.943 ( -13.683 0.000 -9.709) 16.777 5.009 ( -8.859 0.000 5.522) 10.439 5.109 ( -2.984 0.000 -0.667) 3.058 5.139 ( -0.699 0.000 0.903) 1.142 5.237 ( 5.704 0.000 0.571) 5.732 5.295 ( -1.636 0.000 -5.581) 5.816 5.337 ( -2.636 0.000 4.513) 5.226 5.373 ( 0.045 0.000 -0.381) 0.384 5.489 ( -3.619 0.000 -4.093) 5.464 5.575 ( -0.383 0.000 0.552) 0.672 5.600 ( -12.477 0.000 7.830) 14.730 5.733 ( 6.824 0.000 4.978) 8.446 5.753 ( -3.303 0.000 2.688) 4.259 5.776 ( -1.253 0.000 -2.343) 2.657 5.921 ( -4.880 0.000 -3.751) 6.156 5.960 ( -4.646 0.000 5.620) 7.292 6.004 ( 12.238 0.000 -1.375) 12.315 6.014 ( 6.417 0.000 -2.714) 6.967 6.280 ( -0.390 0.000 -3.157) 3.181 6.427 ( 2.952 0.000 4.675) 5.529 6.605 ( 5.608 0.000 1.436) 5.789 6.646 ( -0.872 0.000 -3.137) 3.256 6.696 ( 1.588 0.000 -6.581) 6.770 6.704 ( 9.603 0.000 3.966) 10.390 6.732 ( 8.705 0.000 -0.120) 8.706 6.970 ( 15.266 0.000 1.438) 15.334 7.014 ( -3.464 0.000 -2.953) 4.552 7.080 ( 7.323 0.000 4.406) 8.546 7.215 ( -2.497 0.000 -1.728) 3.036 7.279 ( 1.122 0.000 2.938) 3.145 7.346 ( 6.782 0.000 -4.637) 8.216 7.445 ( 1.097 0.000 3.211) 3.393 7.586 ( -2.944 0.000 1.151) 3.161 7.604 ( -0.513 0.000 -6.748) 6.768 7.631 ( -1.026 0.000 0.214) 1.048 7.677 ( -2.243 0.000 -4.343) 4.888 7.751 ( 5.106 0.000 2.468) 5.671 7.876 ( -0.180 0.000 6.470) 6.473 7.959 ( -4.373 0.000 7.000) 8.253 8.118 ( -1.795 0.000 1.349) 2.246 8.308 ( 9.526 0.000 6.330) 11.437 8.310 ( 1.535 0.000 4.729) 4.972 8.393 ( 1.903 0.000 8.102) 8.323 8.530 ( 0.817 0.000 0.693) 1.071 8.778 ( -3.395 0.000 -22.781) 23.033 8.884 ( -12.812 0.000 -8.247) 15.237 8.981 ( 3.531 0.000 4.008) 5.341 9.150 ( -5.816 0.000 -7.267) 9.308 9.383 ( 8.383 0.000 4.310) 9.426 9.470 ( -6.576 0.000 -2.696) 7.107 9.567 ( 8.284 0.000 9.834) 12.859 9.682 ( 3.255 0.000 6.946) 7.671 9.750 ( -5.810 0.000 0.065) 5.810 10.030 ( -2.271 0.000 -2.120) 3.107 10.145 ( -5.742 0.000 3.975) 6.983 10.157 ( -1.567 0.000 4.552) 4.814 10.172 ( 7.247 0.000 8.607) 11.252 10.368 ( -4.028 0.000 -7.620) 8.620 10.665 ( -6.008 0.000 -3.975) 7.204 10.820 ( -7.899 0.000 -3.890) 8.805 10.919 ( -2.276 0.000 -6.356) 6.751 11.230 ( 0.716 0.000 -10.943) 10.967 11.546 ( -3.086 0.000 -1.234) 3.323 11.584 ( 4.318 0.000 0.705) 4.376 12.003 ( 0.862 0.000 7.147) 7.199 12.389 ( 0.601 0.000 -3.802) 3.849 12.678 ( 1.822 0.000 0.011) 1.822 12.788 ( -0.009 0.000 -3.054) 3.054 12.924 ( 5.423 0.000 5.471) 7.704 13.241 ( 4.968 0.000 3.206) 5.913 13.274 ( -10.833 0.000 -10.104) 14.814 13.494 ( 2.032 0.000 0.631) 2.127 13.513 ( 4.609 0.000 -2.443) 5.216 13.567 ( 2.723 0.000 2.863) 3.951 13.751 ( 8.433 0.000 8.614) 12.055 13.888 ( 17.151 0.000 9.273) 19.497 14.066 ( -0.772 0.000 -4.575) 4.640 14.302 ( -0.986 0.000 -9.972) 10.021 14.767 ( 4.531 0.000 8.325) 9.478 14.934 ( -0.655 0.000 5.513) 5.551 14.989 ( -5.551 0.000 0.700) 5.595 15.241 ( -5.462 0.000 -9.633) 11.074 15.331 ( -3.638 0.000 -1.160) 3.819 15.586 ( 2.767 0.000 -4.523) 5.302 15.635 ( 2.729 0.000 1.202) 2.982 15.701 ( -4.947 0.000 -2.258) 5.438 16.019 ( -1.772 0.000 4.881) 5.192 16.132 ( -0.189 0.000 3.929) 3.934 16.254 ( -3.538 0.000 -1.575) 3.872 16.379 ( 2.658 0.000 0.808) 2.778 19.288 ( 5.078 0.000 3.424) 6.124 19.457 ( -6.395 0.000 -5.370) 8.351 19.465 ( 6.640 0.000 3.276) 7.404 19.584 ( -6.365 0.000 -5.433) 8.368 24.878 ( -1.457 0.000 -2.683) 3.053 25.001 ( -0.808 0.000 -4.347) 4.421 25.014 ( 0.619 0.000 0.698) 0.933 25.168 ( -0.373 0.000 -10.428) 10.435 26.289 ( -2.114 0.000 -0.456) 2.163 26.360 ( 1.693 0.000 0.713) 1.837 26.620 ( 0.229 0.000 6.680) 6.684 26.714 ( -0.217 0.000 1.152) 1.172 27.572 ( 2.845 0.000 1.530) 3.230 27.593 ( -1.279 0.000 -1.628) 2.071 27.758 ( 2.298 0.000 5.290) 5.768 27.787 ( -1.559 0.000 1.332) 2.051 27.901 ( -2.546 0.000 1.722) 3.073 27.932 ( 1.287 0.000 0.117) 1.293 28.015 ( 2.836 0.000 2.967) 4.104 28.201 ( -4.642 0.000 -4.931) 6.772 28.364 ( 5.246 0.000 -1.578) 5.478 28.394 ( -2.923 0.000 -4.186) 5.105 28.429 ( 0.337 0.000 -3.010) 3.029 28.703 ( -0.400 0.000 -5.543) 5.557 28.798 ( -3.117 0.000 7.926) 8.517 29.031 ( -0.449 0.000 1.531) 1.595 29.353 ( 1.661 0.000 -3.590) 3.955 29.415 ( 5.041 0.000 9.332) 10.606 29.482 ( -4.666 0.000 -8.945) 10.089 29.873 ( 3.137 0.000 -5.034) 5.931 30.185 ( -3.485 0.000 11.351) 11.874 30.489 ( 1.397 0.000 2.109) 2.530 ======================= Grid point 54 (22/72) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -32.753 0.000 3.507) 32.940 1.571 ( -40.823 0.000 -1.604) 40.854 2.259 ( -18.226 0.000 -4.336) 18.735 2.296 ( -22.862 0.000 4.819) 23.364 2.471 ( -34.960 0.000 1.806) 35.006 2.853 ( -4.723 0.000 -8.807) 9.994 3.267 ( 0.547 0.000 4.391) 4.425 3.321 ( 10.075 0.000 -10.656) 14.665 3.517 ( 0.604 0.000 -10.396) 10.413 3.523 ( -1.654 0.000 -4.754) 5.033 3.658 ( 10.590 0.000 6.137) 12.240 3.712 ( -0.430 0.000 2.287) 2.327 3.771 ( 6.843 0.000 1.171) 6.943 3.947 ( 1.912 0.000 4.939) 5.296 3.976 ( 5.393 0.000 3.616) 6.493 4.107 ( -0.062 0.000 7.099) 7.099 4.143 ( -5.665 0.000 -3.986) 6.927 4.231 ( 2.745 0.000 -10.863) 11.204 4.388 ( 7.202 0.000 -8.680) 11.279 4.491 ( -3.802 0.000 11.002) 11.641 4.542 ( -3.061 0.000 1.181) 3.281 4.572 ( -15.585 0.000 4.057) 16.105 4.680 ( -2.372 0.000 2.665) 3.567 4.866 ( -5.235 0.000 -3.923) 6.542 5.005 ( -2.743 0.000 -9.640) 10.023 5.133 ( -2.016 0.000 2.928) 3.555 5.152 ( -4.704 0.000 -10.390) 11.405 5.210 ( -10.858 0.000 3.006) 11.267 5.306 ( -4.834 0.000 4.347) 6.501 5.406 ( -1.433 0.000 12.832) 12.911 5.429 ( -10.449 0.000 3.571) 11.043 5.545 ( -4.134 0.000 1.816) 4.515 5.563 ( 4.419 0.000 3.424) 5.591 5.648 ( -3.460 0.000 1.412) 3.737 5.725 ( -4.261 0.000 1.535) 4.529 5.821 ( 0.166 0.000 0.143) 0.219 5.821 ( 1.526 0.000 -3.780) 4.077 6.117 ( 5.972 0.000 -1.195) 6.091 6.151 ( 8.995 0.000 10.486) 13.816 6.212 ( -1.266 0.000 -3.936) 4.135 6.224 ( 10.419 0.000 -2.769) 10.781 6.464 ( -0.812 0.000 0.237) 0.846 6.604 ( 2.580 0.000 -2.063) 3.303 6.675 ( 2.807 0.000 -13.583) 13.870 6.757 ( -5.541 0.000 3.765) 6.699 6.790 ( 9.654 0.000 -1.925) 9.844 6.821 ( 5.333 0.000 -5.532) 7.684 6.932 ( 3.739 0.000 -1.757) 4.131 7.134 ( -2.706 0.000 -1.620) 3.154 7.219 ( 2.617 0.000 -10.288) 10.616 7.236 ( 1.096 0.000 -5.380) 5.490 7.269 ( 2.657 0.000 5.241) 5.876 7.440 ( 2.939 0.000 -4.784) 5.615 7.474 ( 1.153 0.000 -0.103) 1.158 7.524 ( 2.560 0.000 -0.782) 2.677 7.550 ( -1.644 0.000 1.164) 2.015 7.650 ( 8.791 0.000 7.322) 11.441 7.669 ( 2.419 0.000 -2.396) 3.405 7.894 ( 4.787 0.000 1.456) 5.004 7.914 ( -3.436 0.000 0.334) 3.453 8.108 ( 6.781 0.000 17.023) 18.324 8.131 ( 1.257 0.000 1.862) 2.247 8.375 ( -3.183 0.000 -2.283) 3.917 8.452 ( -1.322 0.000 -15.254) 15.311 8.484 ( -1.314 0.000 1.623) 2.088 8.571 ( 8.918 0.000 -1.337) 9.018 8.624 ( -6.029 0.000 -7.316) 9.480 8.637 ( 9.455 0.000 22.029) 23.972 8.984 ( -2.197 0.000 -1.384) 2.596 9.235 ( 12.087 0.000 8.811) 14.957 9.343 ( -6.697 0.000 -3.889) 7.744 9.532 ( 4.330 0.000 1.854) 4.710 9.548 ( -6.811 0.000 -3.367) 7.598 9.807 ( 6.472 0.000 11.746) 13.411 9.921 ( 6.796 0.000 8.740) 11.071 9.960 ( 0.483 0.000 -6.178) 6.197 10.065 ( -7.005 0.000 3.607) 7.879 10.221 ( -2.046 0.000 -3.702) 4.229 10.274 ( 3.218 0.000 12.241) 12.656 10.383 ( 1.900 0.000 -3.143) 3.673 10.498 ( -4.331 0.000 5.731) 7.184 10.662 ( -4.187 0.000 1.732) 4.531 10.774 ( -5.940 0.000 -4.910) 7.707 11.056 ( -7.221 0.000 -12.802) 14.698 11.444 ( -5.363 0.000 -2.067) 5.747 11.694 ( 6.118 0.000 0.290) 6.125 12.050 ( -2.976 0.000 6.574) 7.216 12.276 ( -6.054 0.000 -7.679) 9.778 12.750 ( 4.267 0.000 0.715) 4.327 12.805 ( 5.245 0.000 0.051) 5.246 13.009 ( -5.963 0.000 -9.422) 11.151 13.123 ( 3.270 0.000 9.563) 10.107 13.263 ( 1.858 0.000 0.071) 1.859 13.530 ( 1.837 0.000 -1.621) 2.450 13.567 ( 3.695 0.000 -3.765) 5.275 13.616 ( 3.047 0.000 -1.218) 3.281 13.890 ( -7.625 0.000 -12.357) 14.520 14.097 ( 13.701 0.000 5.620) 14.808 14.151 ( -1.213 0.000 -23.309) 23.341 14.335 ( 19.103 0.000 7.360) 20.472 14.766 ( -13.052 0.000 -7.521) 15.064 14.913 ( 0.674 0.000 9.066) 9.091 15.030 ( 3.103 0.000 9.814) 10.293 15.129 ( 0.356 0.000 0.860) 0.931 15.288 ( -0.334 0.000 0.951) 1.008 15.566 ( -0.109 0.000 -3.756) 3.758 15.658 ( 2.525 0.000 -3.165) 4.049 15.702 ( 2.892 0.000 2.206) 3.637 16.030 ( -4.370 0.000 7.145) 8.375 16.101 ( -5.805 0.000 -0.741) 5.852 16.165 ( -5.260 0.000 0.799) 5.320 16.375 ( -0.487 0.000 -6.180) 6.199 19.252 ( -8.952 0.000 -5.079) 10.292 19.402 ( 3.763 0.000 2.682) 4.621 19.412 ( -5.064 0.000 -5.626) 7.569 19.662 ( 8.495 0.000 4.979) 9.847 24.830 ( -1.558 0.000 -0.971) 1.836 24.927 ( -2.352 0.000 -3.710) 4.393 25.024 ( -0.747 0.000 1.497) 1.673 25.029 ( -1.650 0.000 -13.984) 14.082 26.245 ( -2.631 0.000 0.689) 2.720 26.392 ( 1.225 0.000 0.025) 1.225 26.676 ( -0.483 0.000 4.108) 4.136 26.710 ( -0.778 0.000 -0.012) 0.779 27.542 ( -1.644 0.000 -3.963) 4.290 27.637 ( 2.311 0.000 1.232) 2.619 27.776 ( -1.077 0.000 1.057) 1.509 27.847 ( 1.208 0.000 4.844) 4.993 27.872 ( -1.889 0.000 0.432) 1.938 27.976 ( 2.020 0.000 1.716) 2.650 28.002 ( -7.201 0.000 -8.504) 11.143 28.107 ( 3.706 0.000 3.505) 5.101 28.336 ( -0.918 0.000 -1.289) 1.582 28.430 ( 2.052 0.000 -4.237) 4.708 28.432 ( 2.404 0.000 -1.765) 2.982 28.696 ( 5.534 0.000 -0.184) 5.537 28.813 ( -5.000 0.000 9.206) 10.476 29.039 ( -0.504 0.000 1.697) 1.771 29.310 ( -3.528 0.000 -8.321) 9.039 29.344 ( 1.326 0.000 -3.002) 3.282 29.582 ( 2.711 0.000 7.737) 8.199 29.798 ( -2.442 0.000 -9.431) 9.742 30.311 ( 1.564 0.000 19.782) 19.844 30.585 ( 6.245 0.000 1.102) 6.341 ======================= Grid point 55 (23/72) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -38.106 0.000 2.507) 38.188 0.824 ( -29.854 0.000 23.862) 38.218 1.577 ( -57.095 0.000 42.244) 71.024 1.894 ( -16.402 0.000 4.466) 16.999 2.223 ( -12.698 0.000 9.336) 15.761 2.697 ( -2.335 0.000 -5.731) 6.189 3.204 ( -13.577 0.000 -20.467) 24.561 3.250 ( -4.600 0.000 -18.130) 18.704 3.326 ( 2.623 0.000 -5.816) 6.380 3.497 ( 12.217 0.000 -3.042) 12.590 3.779 ( -2.347 0.000 5.726) 6.189 3.817 ( 3.962 0.000 -3.968) 5.607 3.864 ( 2.761 0.000 -3.558) 4.503 3.949 ( 0.013 0.000 -8.969) 8.969 4.050 ( -2.905 0.000 -1.079) 3.098 4.091 ( -3.303 0.000 -8.432) 9.056 4.136 ( -2.489 0.000 7.920) 8.302 4.207 ( 13.507 0.000 3.122) 13.863 4.318 ( -10.260 0.000 2.943) 10.674 4.467 ( 4.354 0.000 -3.652) 5.683 4.591 ( -3.692 0.000 16.361) 16.773 4.624 ( 3.205 0.000 -3.818) 4.985 4.689 ( 4.224 0.000 -2.161) 4.745 4.820 ( 2.281 0.000 0.468) 2.329 4.833 ( -4.936 0.000 -2.063) 5.350 4.966 ( -1.883 0.000 -12.800) 12.938 5.056 ( -8.947 0.000 5.918) 10.727 5.084 ( -6.087 0.000 5.848) 8.441 5.270 ( -0.617 0.000 -3.116) 3.177 5.348 ( -6.487 0.000 0.329) 6.495 5.353 ( -4.676 0.000 7.759) 9.059 5.548 ( -2.971 0.000 5.073) 5.879 5.616 ( -4.544 0.000 2.711) 5.291 5.671 ( -8.743 0.000 14.278) 16.742 5.675 ( -2.215 0.000 5.636) 6.056 5.786 ( -2.871 0.000 -1.135) 3.087 5.855 ( 4.986 0.000 -7.686) 9.162 6.147 ( 4.359 0.000 -8.544) 9.592 6.184 ( 1.885 0.000 -2.810) 3.384 6.284 ( -9.211 0.000 -20.552) 22.522 6.325 ( 4.477 0.000 0.678) 4.528 6.406 ( 7.008 0.000 2.594) 7.473 6.499 ( 0.969 0.000 -2.253) 2.452 6.641 ( 0.818 0.000 -2.799) 2.916 6.733 ( -6.369 0.000 8.535) 10.649 6.832 ( 1.780 0.000 -1.197) 2.145 6.932 ( -1.464 0.000 -2.210) 2.651 6.964 ( 11.102 0.000 -9.197) 14.416 7.064 ( -2.440 0.000 -2.845) 3.748 7.175 ( 6.724 0.000 -2.663) 7.232 7.206 ( 1.748 0.000 4.694) 5.009 7.359 ( -3.087 0.000 6.261) 6.981 7.426 ( 3.690 0.000 -4.339) 5.696 7.428 ( -2.683 0.000 2.404) 3.602 7.589 ( -4.797 0.000 0.413) 4.814 7.628 ( 4.833 0.000 2.135) 5.283 7.652 ( 8.161 0.000 -5.384) 9.777 7.897 ( -1.791 0.000 -1.337) 2.235 7.949 ( 8.392 0.000 0.106) 8.393 7.978 ( 5.665 0.000 9.547) 11.101 8.110 ( 0.962 0.000 -12.245) 12.282 8.247 ( 6.266 0.000 -1.509) 6.445 8.298 ( -0.694 0.000 -0.329) 0.768 8.476 ( 1.572 0.000 3.785) 4.098 8.496 ( 3.525 0.000 6.869) 7.721 8.520 ( -3.267 0.000 1.291) 3.513 8.688 ( 5.468 0.000 -1.607) 5.700 9.053 ( 0.080 0.000 4.182) 4.183 9.110 ( 9.894 0.000 12.774) 16.158 9.202 ( 0.035 0.000 1.140) 1.141 9.332 ( -1.846 0.000 5.484) 5.786 9.424 ( -1.514 0.000 -5.314) 5.526 9.618 ( 2.123 0.000 0.513) 2.185 9.931 ( -7.719 0.000 -3.651) 8.539 9.954 ( 7.149 0.000 -4.213) 8.298 10.050 ( -1.155 0.000 2.707) 2.943 10.061 ( 1.688 0.000 -0.457) 1.749 10.257 ( -4.375 0.000 3.989) 5.921 10.265 ( 8.001 0.000 2.458) 8.370 10.504 ( 2.523 0.000 -3.403) 4.236 10.552 ( -2.400 0.000 6.827) 7.236 10.676 ( -2.652 0.000 4.724) 5.418 10.739 ( -7.450 0.000 -6.518) 9.899 10.748 ( 4.061 0.000 3.228) 5.187 11.372 ( -0.672 0.000 0.906) 1.129 11.777 ( 3.250 0.000 0.400) 3.274 12.074 ( -5.688 0.000 -5.456) 7.882 12.189 ( 14.453 0.000 24.237) 28.220 12.823 ( 3.532 0.000 -0.783) 3.618 12.869 ( -0.245 0.000 -6.819) 6.823 13.003 ( 10.406 0.000 4.602) 11.378 13.132 ( -4.254 0.000 1.911) 4.664 13.275 ( -21.013 0.000 -39.424) 44.674 13.384 ( 3.163 0.000 3.460) 4.687 13.450 ( -6.971 0.000 -12.855) 14.624 13.665 ( 2.969 0.000 -0.359) 2.991 13.695 ( -1.807 0.000 0.243) 1.824 13.800 ( -7.064 0.000 -0.450) 7.078 14.289 ( 6.305 0.000 0.267) 6.311 14.554 ( -3.741 0.000 -1.896) 4.194 14.657 ( 10.049 0.000 2.063) 10.259 14.972 ( -1.290 0.000 2.204) 2.554 15.175 ( 1.340 0.000 1.544) 2.045 15.185 ( -0.661 0.000 7.929) 7.956 15.308 ( 0.555 0.000 0.861) 1.025 15.563 ( 1.721 0.000 1.327) 2.173 15.657 ( 3.083 0.000 -9.374) 9.868 15.807 ( 5.005 0.000 4.873) 6.986 15.961 ( -5.879 0.000 -2.894) 6.553 15.965 ( -8.015 0.000 -4.584) 9.234 16.040 ( -8.446 0.000 -0.712) 8.476 16.234 ( -5.847 0.000 -3.072) 6.605 19.080 ( -4.762 0.000 -1.541) 5.005 19.319 ( -0.717 0.000 -0.974) 1.210 19.478 ( 1.085 0.000 2.070) 2.337 19.813 ( 3.485 0.000 1.030) 3.634 24.809 ( -0.758 0.000 1.208) 1.426 24.814 ( -3.250 0.000 -3.451) 4.740 24.880 ( -2.641 0.000 -0.171) 2.647 25.020 ( -1.671 0.000 2.134) 2.710 26.212 ( -1.956 0.000 1.031) 2.211 26.399 ( 0.362 0.000 -1.527) 1.569 26.671 ( -2.495 0.000 -0.815) 2.624 26.692 ( -0.264 0.000 -1.381) 1.406 27.458 ( -1.879 0.000 -0.674) 1.996 27.674 ( 0.775 0.000 0.365) 0.857 27.772 ( -0.485 0.000 1.477) 1.554 27.795 ( -3.094 0.000 -4.657) 5.591 27.884 ( -1.530 0.000 2.273) 2.740 27.890 ( -0.973 0.000 3.260) 3.402 28.016 ( 0.268 0.000 1.060) 1.094 28.220 ( 4.442 0.000 1.999) 4.871 28.325 ( -0.105 0.000 0.765) 0.772 28.365 ( -2.049 0.000 -3.289) 3.875 28.481 ( 4.183 0.000 -0.125) 4.185 28.810 ( -4.871 0.000 8.376) 9.690 28.845 ( 5.915 0.000 1.958) 6.231 29.026 ( -1.815 0.000 -2.215) 2.863 29.228 ( 2.892 0.000 -3.222) 4.329 29.337 ( 0.977 0.000 -2.869) 3.031 29.661 ( -0.870 0.000 -7.096) 7.149 29.676 ( 0.259 0.000 7.225) 7.229 30.623 ( 7.505 0.000 6.959) 10.234 30.681 ( 4.359 0.000 -3.452) 5.561 ======================= Grid point 56 (24/72) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 4.676 25.104 29.145) 38.750 1.228 ( 6.372 17.122 37.762) 41.949 1.810 ( -6.129 29.691 33.603) 45.258 2.001 ( 6.557 15.853 21.586) 27.573 2.147 ( -5.211 1.366 14.510) 15.478 2.723 ( 7.681 -1.066 -2.150) 8.047 2.801 ( 5.920 -7.258 -4.316) 10.313 3.269 ( 5.696 -2.902 -9.559) 11.499 3.288 ( 8.500 2.582 -7.568) 11.670 3.430 ( 0.610 -11.030 -10.889) 15.512 3.536 ( 0.333 -4.353 -20.175) 20.642 3.760 ( -3.240 1.270 -7.516) 8.282 3.847 ( -1.902 -2.585 -5.523) 6.388 3.890 ( 2.531 4.646 0.863) 5.361 4.010 ( -5.715 -0.235 1.574) 5.932 4.045 ( -8.840 5.267 2.875) 10.684 4.172 ( -0.779 -1.794 6.907) 7.178 4.262 ( -1.084 -4.294 -1.043) 4.550 4.321 ( -5.068 -1.157 -4.165) 6.661 4.430 ( 5.665 0.921 -0.637) 5.774 4.461 ( -4.077 -3.306 4.015) 6.609 4.661 ( -1.967 -4.708 0.153) 5.105 4.810 ( -0.251 2.314 -6.351) 6.764 4.837 ( 8.247 0.445 -4.811) 9.558 4.904 ( 2.880 -2.957 -4.628) 6.201 5.010 ( 4.982 7.613 -1.172) 9.174 5.045 ( -0.958 2.720 4.160) 5.061 5.142 ( 5.118 4.554 2.262) 7.215 5.198 ( -4.461 -0.794 3.312) 5.612 5.306 ( -4.908 1.334 5.111) 7.210 5.339 ( -3.832 -5.499 1.154) 6.801 5.412 ( 5.879 1.920 0.330) 6.193 5.540 ( 0.235 -3.119 0.700) 3.205 5.638 ( -2.936 3.099 6.261) 7.578 5.723 ( -3.962 8.950 -1.246) 9.867 5.784 ( 0.560 -2.231 2.543) 3.428 5.935 ( -2.021 -2.986 0.390) 3.627 6.087 ( 3.948 -4.982 -6.912) 9.390 6.205 ( 9.670 -0.685 -1.830) 9.866 6.244 ( -1.537 -2.498 0.765) 3.031 6.334 ( 1.956 -0.450 3.161) 3.745 6.453 ( -3.896 -1.985 -1.324) 4.569 6.480 ( -2.503 3.451 2.167) 4.783 6.641 ( -5.325 -1.737 2.122) 5.989 6.715 ( 1.113 2.692 -3.580) 4.616 6.845 ( 2.194 6.879 -8.321) 11.017 6.932 ( -2.865 1.141 0.014) 3.084 6.983 ( 5.511 -4.791 -0.535) 7.322 7.145 ( 0.087 4.157 -4.177) 5.893 7.247 ( 2.261 -4.112 2.032) 5.113 7.291 ( 2.076 -1.965 0.802) 2.969 7.332 ( -4.357 -1.486 0.826) 4.677 7.398 ( 2.965 -4.450 -4.107) 6.743 7.458 ( 0.872 1.203 2.261) 2.706 7.598 ( -1.047 -1.268 2.846) 3.287 7.712 ( 5.989 -0.863 2.674) 6.616 7.757 ( 3.032 1.132 2.925) 4.362 7.826 ( 2.511 0.653 -4.441) 5.143 7.907 ( -3.503 0.015 -4.827) 5.964 8.087 ( 1.968 -2.161 3.731) 4.740 8.178 ( -3.409 1.437 -0.222) 3.707 8.249 ( 3.243 -1.160 1.437) 3.732 8.338 ( -3.614 -5.804 0.216) 6.840 8.396 ( 6.819 -4.062 0.024) 7.937 8.451 ( -0.103 -3.604 1.371) 3.857 8.583 ( -3.082 -0.151 -4.183) 5.198 8.765 ( -2.313 0.998 -0.101) 2.521 8.985 ( -7.990 -3.149 4.746) 9.813 9.125 ( 3.168 1.811 1.069) 3.802 9.184 ( -3.934 2.800 2.039) 5.241 9.300 ( -5.359 0.890 -2.068) 5.813 9.424 ( 3.465 -1.897 1.120) 4.105 9.609 ( -2.935 -1.723 0.348) 3.421 9.687 ( -0.704 6.845 -8.241) 10.736 9.784 ( -9.919 -1.618 -10.383) 14.451 10.016 ( -1.087 3.240 -1.364) 3.680 10.054 ( 0.623 -6.721 2.401) 7.164 10.280 ( -0.934 12.116 -5.058) 13.163 10.301 ( -0.810 -0.941 1.376) 1.853 10.484 ( -11.139 3.915 -6.511) 13.483 10.520 ( -5.606 2.156 -2.375) 6.459 10.575 ( 0.325 10.605 -2.546) 10.911 10.776 ( -4.708 -0.923 -1.127) 4.928 10.816 ( 9.569 -3.648 4.416) 11.152 11.427 ( 0.285 4.304 1.907) 4.716 11.820 ( 1.778 -0.595 3.487) 3.959 11.995 ( 4.024 -6.480 0.460) 7.642 12.117 ( -10.129 -3.749 -3.067) 11.228 12.836 ( -3.917 -1.405 -3.295) 5.308 12.872 ( -0.438 -2.242 -2.355) 3.281 13.039 ( -6.145 1.521 -3.088) 7.043 13.100 ( -0.113 2.613 -0.032) 2.615 13.319 ( 6.242 -1.785 3.458) 7.356 13.510 ( 1.359 4.736 -5.740) 7.565 13.652 ( 5.824 -4.729 3.635) 8.336 13.704 ( -0.318 -1.257 1.470) 1.960 13.893 ( 10.258 -2.079 15.531) 18.729 13.930 ( 50.694 -13.028 21.788) 56.695 14.394 ( 0.986 0.882 2.205) 2.571 14.496 ( 2.277 -3.652 2.140) 4.807 14.787 ( -4.538 2.179 0.128) 5.036 14.903 ( -2.622 0.623 -6.909) 7.416 14.971 ( -14.949 -1.283 -6.584) 16.385 15.185 ( -1.387 0.991 -6.069) 6.304 15.331 ( -0.655 3.352 2.896) 4.478 15.476 ( -2.106 -4.508 0.455) 4.996 15.628 ( -0.536 -0.111 1.597) 1.688 15.730 ( -3.649 -1.530 -0.313) 3.969 15.809 ( -3.394 -1.617 -0.034) 3.759 15.896 ( -0.731 -1.165 -0.311) 1.410 16.017 ( 4.152 2.540 3.353) 5.911 16.173 ( 6.054 -3.757 4.309) 8.327 19.177 ( 2.542 5.981 -2.404) 6.929 19.364 ( 3.319 -0.731 3.271) 4.717 19.463 ( -3.599 3.113 -3.278) 5.779 19.772 ( -4.182 -1.886 -4.516) 6.438 24.837 ( 0.535 0.824 2.429) 2.620 24.872 ( 0.962 -0.200 1.848) 2.093 24.969 ( 3.876 -4.872 3.526) 7.155 25.036 ( 8.998 -4.603 4.478) 11.055 26.212 ( -0.294 1.522 1.027) 1.860 26.365 ( -0.053 -1.281 -1.873) 2.270 26.609 ( -2.826 1.712 -0.970) 3.443 26.722 ( 0.457 2.110 -4.770) 5.235 27.573 ( 6.396 -0.409 3.989) 7.549 27.683 ( -0.500 -0.076 -0.883) 1.017 27.796 ( 0.565 2.189 0.716) 2.371 27.821 ( 1.656 -0.163 1.904) 2.528 27.861 ( -0.541 0.954 -0.459) 1.189 27.940 ( 1.985 -0.852 3.699) 4.284 28.049 ( 1.353 3.849 0.211) 4.085 28.177 ( -4.850 -1.854 -0.565) 5.223 28.290 ( -2.400 -4.370 2.418) 5.541 28.403 ( 5.603 -1.859 3.341) 6.783 28.578 ( 3.075 -4.156 3.920) 6.488 28.637 ( -6.816 -3.354 6.503) 10.000 28.793 ( -3.075 -3.378 -0.116) 4.569 29.003 ( -4.072 3.870 -2.995) 6.366 29.247 ( 2.764 -4.229 -2.712) 5.734 29.259 ( 0.948 -3.091 -1.287) 3.480 29.725 ( 8.236 1.832 4.006) 9.340 29.808 ( 3.331 1.846 8.708) 9.504 30.444 ( -23.061 17.674 -23.139) 37.143 30.644 ( -1.593 -0.434 -8.744) 8.898 ======================= Grid point 57 (25/72) ======================= q-point: ( 0.14 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 11.721 15.524 28.821) 34.771 1.721 ( 6.936 23.664 29.894) 38.752 2.186 ( 5.158 1.531 9.264) 10.712 2.316 ( 18.210 -0.162 15.993) 24.237 2.705 ( 20.135 3.106 22.053) 30.023 2.868 ( 14.507 -7.338 -4.065) 16.758 2.984 ( 10.692 9.540 -2.680) 14.577 3.079 ( -3.919 0.760 -19.051) 19.464 3.263 ( 6.509 -1.311 -6.756) 9.473 3.397 ( -4.727 3.189 -18.288) 19.156 3.456 ( -3.017 -1.956 -6.821) 7.711 3.642 ( 13.615 3.715 -8.193) 16.319 3.718 ( 1.369 -3.935 -9.596) 10.461 3.826 ( -12.016 1.373 1.574) 12.196 3.957 ( -5.664 -3.382 3.221) 7.341 3.986 ( 0.010 4.759 6.594) 8.132 4.097 ( 4.131 -0.488 1.677) 4.485 4.255 ( -0.337 -5.184 -1.464) 5.397 4.322 ( -1.508 -2.493 6.214) 6.863 4.441 ( 1.700 1.824 2.498) 3.529 4.498 ( 4.222 -0.287 -2.782) 5.064 4.667 ( 0.023 -3.966 -0.139) 3.969 4.790 ( 1.607 -3.585 -2.224) 4.514 4.891 ( 6.615 -4.289 -7.112) 10.618 4.920 ( 4.060 -12.296 2.400) 13.169 5.031 ( -1.860 8.588 -2.155) 9.047 5.105 ( -4.288 -2.656 -4.461) 6.734 5.149 ( 2.068 3.308 -1.906) 4.342 5.213 ( 5.557 3.753 -3.356) 7.498 5.295 ( 3.182 -1.224 5.426) 6.408 5.338 ( 2.086 3.622 -5.786) 7.137 5.525 ( -0.405 10.042 2.217) 10.292 5.595 ( 1.922 1.935 2.950) 4.017 5.690 ( 2.881 0.073 4.174) 5.073 5.709 ( 0.418 -2.069 1.356) 2.509 5.825 ( -2.871 8.804 6.605) 11.374 5.880 ( -2.673 -4.171 5.177) 7.165 6.081 ( 6.654 0.001 -6.911) 9.594 6.218 ( -1.370 -1.039 2.089) 2.706 6.323 ( -2.684 -4.153 1.331) 5.120 6.378 ( -0.028 -0.779 -0.252) 0.819 6.413 ( 2.892 -3.241 -2.804) 5.170 6.451 ( 3.261 0.289 0.199) 3.280 6.553 ( -5.800 0.081 3.267) 6.657 6.670 ( -3.031 3.720 -4.905) 6.861 6.813 ( 0.729 6.156 -3.977) 7.365 6.929 ( 2.709 -1.716 2.704) 4.195 7.071 ( 1.094 -0.930 -4.493) 4.717 7.102 ( 0.963 -2.431 -2.167) 3.396 7.198 ( -6.942 -4.047 -0.441) 8.048 7.248 ( -2.860 -0.769 -5.247) 6.025 7.292 ( 1.850 -3.966 -2.793) 5.191 7.349 ( -2.489 -1.979 -4.647) 5.631 7.513 ( -0.111 1.439 1.750) 2.269 7.569 ( -3.399 1.167 -0.019) 3.593 7.754 ( -1.116 -0.591 -0.564) 1.383 7.779 ( -4.542 4.454 2.601) 6.873 7.825 ( 0.395 1.819 2.762) 3.331 7.871 ( -5.169 -7.965 5.539) 10.993 8.093 ( -5.485 0.085 1.086) 5.592 8.161 ( -3.501 3.502 5.483) 7.388 8.187 ( -6.321 -2.621 -1.699) 7.051 8.277 ( -2.972 -0.033 -4.200) 5.145 8.336 ( -1.371 1.538 -2.177) 2.997 8.445 ( -3.724 -0.589 -1.476) 4.049 8.573 ( 8.591 -3.576 -0.178) 9.307 8.754 ( -13.311 -0.903 1.740) 13.454 8.964 ( 12.521 -1.750 9.608) 15.879 9.072 ( -11.408 -2.971 -7.630) 14.042 9.149 ( -2.089 1.937 5.126) 5.864 9.295 ( 7.449 -3.239 1.490) 8.258 9.449 ( 0.642 1.688 -3.038) 3.535 9.527 ( -2.423 7.106 -1.481) 7.653 9.649 ( 5.226 1.590 2.647) 6.071 9.756 ( 0.873 -2.798 -3.287) 4.404 9.914 ( -6.751 2.810 -4.004) 8.337 10.020 ( -5.924 6.457 -6.760) 11.067 10.097 ( 0.281 2.837 1.060) 3.041 10.364 ( -4.630 -0.017 -3.140) 5.595 10.428 ( 3.185 -0.876 7.261) 7.977 10.510 ( -0.815 -0.184 1.011) 1.311 10.584 ( 6.868 -5.097 4.574) 9.699 10.769 ( 5.789 3.827 2.201) 7.280 11.016 ( 10.393 -4.893 -1.658) 11.607 11.528 ( 3.875 3.140 6.329) 8.058 11.811 ( -10.576 -1.896 -5.400) 12.026 11.885 ( 1.106 -0.718 1.425) 1.941 12.223 ( 9.041 -6.060 1.110) 10.941 12.750 ( -2.189 -2.194 -0.394) 3.124 12.854 ( 0.990 -1.458 -3.145) 3.605 12.935 ( -5.244 0.713 1.492) 5.499 13.135 ( 4.295 2.539 0.268) 4.996 13.345 ( -1.467 4.236 0.185) 4.487 13.483 ( 0.781 0.554 -4.290) 4.395 13.646 ( -3.643 -2.292 1.420) 4.532 13.685 ( -3.542 -1.501 0.501) 3.879 14.162 ( -22.561 -0.930 -10.531) 24.915 14.220 ( 2.460 -0.412 10.958) 11.239 14.382 ( -17.366 -4.193 -8.514) 19.790 14.514 ( -1.283 -6.938 0.189) 7.058 14.683 ( 1.295 1.587 0.147) 2.054 14.826 ( 2.359 0.638 3.268) 4.080 14.890 ( 7.096 4.897 -1.625) 8.774 15.160 ( 8.951 -5.158 -1.106) 10.390 15.369 ( 3.514 5.558 0.650) 6.608 15.549 ( 4.768 -8.946 3.242) 10.643 15.594 ( -2.115 2.378 -3.142) 4.472 15.699 ( -1.964 -1.960 3.872) 4.763 15.785 ( 2.766 1.934 0.114) 3.377 15.938 ( 4.677 0.084 -1.938) 5.064 16.140 ( 4.368 -0.654 3.285) 5.505 16.303 ( 5.179 -1.238 -3.219) 6.223 19.244 ( 1.503 0.024 1.089) 1.856 19.350 ( 2.387 2.199 -1.979) 3.801 19.540 ( 5.785 0.141 5.968) 8.313 19.590 ( -7.663 -1.991 -6.776) 10.422 24.882 ( 1.515 0.766 2.336) 2.887 24.931 ( 3.264 -0.069 1.391) 3.548 24.982 ( -0.481 -1.511 0.382) 1.631 25.245 ( 6.579 -10.087 -1.046) 12.088 26.247 ( 2.338 0.195 1.552) 2.813 26.344 ( 0.216 -0.409 -2.396) 2.441 26.545 ( -2.643 2.053 -0.943) 3.477 26.692 ( 0.588 0.974 -2.637) 2.872 27.638 ( -2.152 1.255 -1.424) 2.869 27.667 ( 0.437 0.797 0.852) 1.246 27.757 ( -3.222 0.988 -2.015) 3.926 27.826 ( -0.469 2.131 2.702) 3.473 27.916 ( 0.183 -2.816 1.227) 3.077 28.011 ( 3.329 -1.396 -1.286) 3.832 28.070 ( -5.221 -1.053 -0.457) 5.345 28.147 ( 6.546 5.149 3.674) 9.103 28.271 ( -1.709 -4.505 1.158) 4.956 28.521 ( -1.127 -3.299 3.789) 5.149 28.563 ( -1.175 -4.984 1.993) 5.495 28.690 ( 3.846 -0.571 1.706) 4.246 28.797 ( 2.574 -4.977 2.152) 6.002 28.868 ( -8.219 4.788 0.742) 9.541 29.214 ( 0.807 -4.527 -3.626) 5.856 29.298 ( 3.178 -3.857 -1.271) 5.157 29.834 ( -17.574 22.122 -12.160) 30.759 29.963 ( 3.800 2.428 9.718) 10.713 30.014 ( 9.939 2.209 8.900) 13.523 30.459 ( -5.730 -1.646 -11.829) 13.247 ======================= Grid point 58 (26/72) ======================= q-point: ( 0.29 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 11.126 6.091 21.441) 24.912 2.172 ( 10.382 9.274 23.115) 26.984 2.374 ( 7.672 4.439 8.069) 11.986 2.597 ( -4.986 -1.296 -22.446) 23.029 2.788 ( 17.037 -2.882 -2.150) 17.412 2.816 ( -3.494 -1.502 -8.843) 9.626 2.956 ( 0.211 -1.873 -4.974) 5.319 3.085 ( 5.379 8.063 -16.014) 18.719 3.197 ( 0.377 1.354 -4.383) 4.603 3.300 ( -0.866 -0.896 -0.064) 1.248 3.441 ( -11.763 4.427 2.150) 12.751 3.613 ( -4.123 0.574 3.341) 5.337 3.750 ( 0.324 4.663 -1.331) 4.860 3.866 ( 7.850 6.675 -7.459) 12.721 4.039 ( 7.448 -13.391 5.506) 16.282 4.173 ( 2.604 -2.642 2.111) 4.268 4.206 ( 11.837 0.757 7.746) 14.166 4.277 ( 8.209 -4.166 -3.096) 9.712 4.464 ( 8.685 -1.445 7.728) 11.715 4.556 ( 5.246 -3.207 0.292) 6.156 4.602 ( 8.558 -0.041 0.779) 8.594 4.702 ( 3.343 -1.025 4.688) 5.848 4.785 ( -4.106 -7.541 -0.270) 8.591 4.873 ( -5.015 -5.097 0.149) 7.152 4.897 ( 3.124 -0.101 -7.249) 7.894 5.067 ( 12.821 0.269 -0.219) 12.826 5.115 ( 9.785 -6.356 4.335) 12.447 5.222 ( 5.398 -2.593 0.110) 5.990 5.257 ( 1.242 8.088 -6.995) 10.766 5.341 ( 6.661 0.223 -1.171) 6.766 5.395 ( -6.202 2.447 2.150) 7.006 5.497 ( 6.942 1.774 2.308) 7.528 5.625 ( -0.086 5.620 -3.344) 6.540 5.676 ( 2.273 0.771 1.275) 2.718 5.746 ( -5.081 0.735 3.851) 6.417 5.835 ( -0.102 8.789 4.690) 9.963 5.996 ( 2.661 4.151 3.896) 6.284 6.174 ( -3.581 11.383 1.382) 12.013 6.194 ( 6.085 1.157 -4.118) 7.438 6.278 ( -4.186 0.300 -8.047) 9.076 6.325 ( -3.587 -1.876 -0.008) 4.048 6.360 ( -5.772 1.975 2.856) 6.736 6.483 ( 1.105 -0.353 -0.556) 1.287 6.562 ( -0.154 0.356 3.493) 3.515 6.615 ( 0.616 -2.622 -0.305) 2.711 6.768 ( -4.459 3.329 -0.620) 5.599 6.969 ( 0.985 0.419 -6.055) 6.149 6.998 ( -6.233 -4.070 0.295) 7.450 7.038 ( -0.165 1.557 -2.822) 3.227 7.121 ( -1.902 -3.540 -4.776) 6.242 7.147 ( -7.721 3.524 -3.907) 9.343 7.226 ( -2.678 2.802 -1.216) 4.063 7.291 ( 4.260 -4.614 -2.725) 6.846 7.470 ( -3.934 -2.438 2.162) 5.108 7.544 ( -0.202 3.837 -3.903) 5.477 7.643 ( -7.095 -0.843 0.330) 7.152 7.696 ( -10.731 -3.162 0.891) 11.222 7.777 ( 2.040 -0.054 0.436) 2.087 7.872 ( -0.690 0.235 5.719) 5.765 7.946 ( -6.468 -1.659 -2.995) 7.318 8.110 ( -2.119 -3.648 -4.550) 6.205 8.170 ( -2.902 3.745 5.532) 7.283 8.205 ( -1.710 0.674 -1.110) 2.147 8.257 ( -7.688 1.922 2.372) 8.272 8.382 ( -3.525 1.084 2.801) 4.631 8.532 ( -6.636 -1.531 -1.601) 6.996 8.851 ( 11.641 -6.563 4.812) 14.204 8.898 ( 0.208 -3.787 1.197) 3.977 9.095 ( 3.000 -1.841 -2.821) 4.511 9.223 ( -4.499 -3.095 -1.359) 5.628 9.414 ( 1.351 1.995 -0.940) 2.586 9.445 ( -10.884 3.520 -0.634) 11.456 9.553 ( 4.337 1.045 0.822) 4.536 9.576 ( 7.639 0.893 8.851) 11.726 9.764 ( -4.203 -0.017 3.076) 5.208 9.868 ( -1.250 -3.158 -1.876) 3.880 9.980 ( 6.139 -1.861 1.202) 6.527 10.141 ( -1.498 0.142 2.982) 3.340 10.166 ( -3.965 4.121 -0.987) 5.804 10.533 ( -0.823 -1.585 4.229) 4.590 10.629 ( 8.115 -0.600 1.225) 8.228 10.818 ( 9.150 -2.557 3.515) 10.130 10.887 ( 5.702 -0.399 -0.815) 5.774 11.162 ( 8.830 -5.494 -4.377) 11.283 11.598 ( -2.850 0.650 -1.564) 3.315 11.645 ( -0.236 2.775 0.759) 2.886 11.883 ( -1.164 0.192 -0.854) 1.456 12.320 ( 2.514 -6.532 -2.118) 7.313 12.725 ( -1.129 -0.986 0.910) 1.754 12.874 ( 2.114 1.324 -0.145) 2.498 12.899 ( -2.218 -3.103 4.822) 6.148 13.179 ( -3.512 -1.502 -3.207) 4.987 13.306 ( -9.058 1.469 -7.486) 11.842 13.365 ( -3.661 -0.058 -7.889) 8.697 13.483 ( -0.889 1.088 -2.544) 2.906 13.616 ( -3.041 -0.985 0.169) 3.201 13.778 ( -6.301 -0.823 -0.847) 6.411 13.918 ( -13.411 -2.190 -5.756) 14.757 14.261 ( -8.072 1.909 0.351) 8.302 14.439 ( -4.350 -4.263 -0.350) 6.101 14.684 ( -0.454 5.141 -1.241) 5.308 14.897 ( 1.152 1.043 3.494) 3.824 15.026 ( 5.866 7.219 4.044) 10.143 15.307 ( 3.596 -2.097 1.510) 4.428 15.465 ( 3.259 -2.472 -0.935) 4.197 15.501 ( -1.240 3.479 -3.200) 4.887 15.659 ( 0.094 -1.772 5.088) 5.388 15.709 ( 1.140 -4.272 0.597) 4.462 15.947 ( 10.318 2.613 4.946) 11.737 16.002 ( 4.175 0.383 -1.557) 4.472 16.226 ( 2.385 -2.859 1.231) 3.921 16.294 ( 0.534 2.875 -5.881) 6.568 19.201 ( -1.216 -1.425 -3.411) 3.892 19.373 ( -3.746 -4.056 -3.184) 6.374 19.516 ( 4.974 2.635 2.160) 6.029 19.684 ( 2.998 -0.201 4.380) 5.311 24.932 ( 1.603 0.370 1.133) 1.998 24.971 ( 0.185 -0.702 -1.645) 1.798 25.001 ( 3.331 -0.115 -0.539) 3.377 25.280 ( 1.057 -6.310 -3.638) 7.360 26.301 ( 1.928 -0.877 0.128) 2.122 26.330 ( 0.491 -0.199 -1.419) 1.515 26.512 ( -1.218 2.449 2.434) 3.662 26.688 ( 0.834 0.280 -0.713) 1.132 27.570 ( -1.891 1.930 -2.275) 3.533 27.668 ( -0.732 1.007 0.107) 1.250 27.692 ( -1.995 1.861 -0.347) 2.750 27.838 ( -1.616 2.209 2.924) 4.005 27.909 ( -2.095 -1.841 1.741) 3.287 27.987 ( -2.243 0.773 -1.471) 2.791 28.012 ( -1.787 0.394 0.409) 1.875 28.229 ( -1.662 -2.926 1.887) 3.858 28.332 ( 6.594 1.532 0.238) 6.774 28.441 ( -3.515 -0.100 -1.570) 3.851 28.634 ( 2.642 -1.899 0.768) 3.342 28.748 ( -5.085 -0.830 3.361) 6.152 28.752 ( 0.229 2.622 0.225) 2.642 28.883 ( 2.542 -4.306 2.579) 5.626 29.220 ( 3.337 -3.536 -2.403) 5.424 29.341 ( 2.425 -3.863 -3.629) 5.829 29.558 ( -2.178 11.720 -4.817) 12.857 30.063 ( -4.981 -0.983 2.618) 5.713 30.151 ( -3.110 3.503 4.187) 6.282 30.353 ( 5.652 -1.254 0.491) 5.810 ======================= Grid point 59 (27/72) ======================= q-point: (-0.57 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 1.404 -4.444 -6.650) 8.121 2.362 ( 0.988 -5.988 -1.710) 6.305 2.493 ( -4.876 5.454 4.173) 8.423 2.553 ( -1.762 6.592 0.497) 6.842 2.758 ( -4.046 5.484 6.308) 9.286 2.810 ( 6.702 9.485 3.828) 12.228 3.084 ( 14.972 -1.038 -3.165) 15.338 3.183 ( -0.888 1.934 -4.134) 4.649 3.196 ( 4.821 -2.288 3.371) 6.312 3.293 ( 4.076 5.264 3.925) 7.728 3.368 ( 0.819 -2.009 9.263) 9.513 3.532 ( -1.989 -1.372 -2.727) 3.643 3.680 ( -1.779 -2.626 -2.760) 4.205 3.919 ( 6.317 3.586 -4.967) 8.800 4.084 ( 0.428 -6.803 -5.273) 8.618 4.253 ( 3.637 -3.995 -1.034) 5.501 4.284 ( 1.341 -4.016 -4.577) 6.235 4.413 ( -3.950 2.897 1.190) 5.041 4.450 ( -5.448 -6.110 -1.505) 8.323 4.578 ( -4.903 -3.929 2.318) 6.697 4.658 ( -0.541 -2.045 -4.906) 5.343 4.732 ( 4.803 -4.825 -2.856) 7.383 4.856 ( 9.755 -5.532 2.646) 11.522 4.980 ( 10.817 -2.386 6.175) 12.682 5.070 ( 1.404 -5.531 2.488) 6.225 5.155 ( -4.348 -0.286 -1.996) 4.793 5.255 ( -4.429 0.854 7.699) 8.923 5.302 ( 5.849 0.600 -6.934) 9.091 5.370 ( 2.287 1.901 1.510) 3.335 5.429 ( 4.440 2.897 -0.339) 5.312 5.484 ( 6.568 -2.671 5.458) 8.947 5.552 ( 1.874 1.926 -3.631) 4.518 5.643 ( -6.951 5.605 6.367) 10.967 5.742 ( 0.218 1.943 -1.644) 2.554 5.765 ( 7.003 3.525 4.014) 8.808 5.907 ( 5.117 1.775 4.282) 6.904 5.943 ( -4.321 8.061 -4.291) 10.102 6.012 ( -4.656 7.170 -6.256) 10.593 6.103 ( -6.850 8.707 -8.939) 14.235 6.225 ( 0.922 -0.921 -0.605) 1.436 6.274 ( 2.818 6.812 -4.120) 8.445 6.293 ( 0.106 5.725 3.623) 6.776 6.480 ( -3.378 4.712 5.042) 7.683 6.586 ( 2.206 1.095 2.519) 3.523 6.594 ( 0.744 -1.410 -0.875) 1.818 6.671 ( -4.420 -0.878 0.882) 4.592 6.858 ( -6.920 -0.176 -8.201) 10.731 6.898 ( 3.132 3.695 -3.033) 5.715 6.927 ( -3.453 -0.238 0.708) 3.533 7.106 ( 1.209 -1.672 2.161) 2.988 7.189 ( 6.456 0.703 2.768) 7.059 7.239 ( 3.370 0.606 -0.609) 3.478 7.342 ( -2.429 -2.898 0.312) 3.794 7.459 ( -1.562 2.754 1.674) 3.582 7.476 ( 0.159 -2.326 3.147) 3.916 7.552 ( -4.367 -1.173 0.056) 4.522 7.624 ( 2.611 -1.351 -1.486) 3.294 7.769 ( -2.858 -1.711 -5.447) 6.385 7.839 ( 1.564 0.540 -4.940) 5.210 7.930 ( -0.641 -1.379 6.267) 6.449 7.976 ( -4.869 -0.089 -5.112) 7.060 8.150 ( -3.669 -2.192 0.045) 4.274 8.163 ( -0.643 3.697 3.749) 5.304 8.239 ( -1.244 0.831 7.526) 7.673 8.353 ( -2.748 0.339 3.592) 4.535 8.483 ( -0.245 -0.240 2.486) 2.509 8.939 ( 1.120 -3.585 -6.455) 7.469 8.997 ( -2.848 -6.251 -0.549) 6.891 9.082 ( 0.447 0.448 -1.043) 1.220 9.114 ( -0.354 -5.758 -3.058) 6.529 9.299 ( -0.984 5.744 2.248) 6.246 9.438 ( -0.602 2.964 0.838) 3.138 9.578 ( 0.857 2.053 4.099) 4.663 9.663 ( -3.451 -1.299 -3.745) 5.256 9.776 ( -3.828 -6.677 3.632) 8.510 9.894 ( 4.308 -6.183 7.976) 10.973 10.095 ( 0.739 -0.974 3.592) 3.795 10.114 ( -0.530 -1.159 -0.186) 1.288 10.176 ( -1.541 2.007 1.839) 3.128 10.462 ( -4.913 -4.390 -4.940) 8.235 10.733 ( 2.141 -0.264 -1.369) 2.555 10.872 ( -0.156 -2.037 -1.860) 2.763 11.008 ( 3.273 0.714 -1.622) 3.722 11.219 ( 4.580 -5.832 -8.555) 11.321 11.568 ( 1.333 3.316 -1.066) 3.729 11.650 ( -0.952 5.840 -0.354) 5.927 11.878 ( 0.863 -2.873 3.651) 4.725 12.311 ( -0.215 -8.554 -2.301) 8.861 12.713 ( -1.654 0.857 -1.139) 2.184 12.818 ( -3.942 -3.473 -1.343) 5.423 12.883 ( 0.720 4.232 -0.564) 4.330 13.043 ( 1.430 -1.551 0.292) 2.130 13.246 ( 8.083 -7.851 2.162) 11.474 13.420 ( 2.235 -2.316 -0.544) 3.264 13.498 ( 0.831 2.038 1.561) 2.698 13.567 ( 2.083 1.753 -1.252) 2.997 13.700 ( -2.557 1.052 -0.126) 2.768 13.760 ( -5.810 2.150 1.171) 6.305 14.120 ( -3.665 2.123 -0.805) 4.311 14.367 ( -2.907 -4.258 -1.786) 5.456 14.688 ( 2.291 4.970 0.456) 5.492 14.926 ( -1.385 1.438 3.107) 3.693 15.118 ( -0.583 7.810 1.898) 8.059 15.332 ( 1.777 -1.697 -3.102) 3.957 15.403 ( -3.560 -0.344 -3.573) 5.055 15.557 ( 3.195 0.672 3.610) 4.867 15.641 ( -2.106 1.807 -3.324) 4.331 15.739 ( -1.618 -6.022 2.485) 6.712 16.040 ( 1.265 0.632 -1.942) 2.402 16.107 ( 1.943 2.823 0.762) 3.510 16.256 ( 0.282 -3.163 -0.126) 3.178 16.305 ( 4.844 2.668 1.846) 5.830 19.183 ( 1.526 -0.715 0.834) 1.880 19.327 ( 1.179 -4.575 -0.338) 4.737 19.576 ( -0.212 1.696 -1.382) 2.198 19.712 ( -2.202 0.174 -0.631) 2.297 24.933 ( -0.548 0.364 -2.497) 2.582 24.978 ( 1.469 -0.811 -0.500) 1.751 25.030 ( 1.499 -0.210 -2.612) 3.019 25.231 ( -0.667 -3.826 -5.945) 7.101 26.319 ( -0.376 -0.558 -1.043) 1.241 26.328 ( 1.273 0.029 0.146) 1.281 26.551 ( 0.121 1.500 5.979) 6.165 26.705 ( 0.808 0.254 0.803) 1.167 27.548 ( 1.036 2.274 -0.095) 2.501 27.653 ( -1.453 2.205 0.140) 2.645 27.688 ( 0.994 0.920 2.409) 2.764 27.823 ( -2.365 1.680 1.660) 3.342 27.885 ( -2.400 -2.243 2.316) 4.020 27.953 ( -0.164 1.385 -1.641) 2.154 28.003 ( 0.112 2.882 1.988) 3.503 28.215 ( -1.393 -3.625 1.096) 4.036 28.350 ( -0.398 0.896 -2.859) 3.023 28.442 ( 3.374 1.782 -3.073) 4.899 28.590 ( -6.096 3.531 -2.494) 7.473 28.729 ( 1.686 -2.128 -1.355) 3.035 28.759 ( -1.745 -1.131 2.715) 3.420 28.935 ( 0.452 -4.114 2.490) 4.830 29.273 ( 4.201 -6.190 -4.171) 8.565 29.314 ( 0.725 -0.287 -0.809) 1.123 29.595 ( 4.266 4.027 -0.681) 5.906 29.910 ( -3.638 0.591 -2.679) 4.557 30.185 ( -2.552 3.639 7.196) 8.458 30.446 ( 0.691 -1.409 2.648) 3.078 ======================= Grid point 60 (28/72) ======================= q-point: (-0.43 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -21.425 8.618 -5.670) 23.779 2.337 ( -24.732 8.973 10.046) 28.162 2.380 ( -4.637 -0.252 -3.387) 5.748 2.530 ( 0.065 4.006 0.869) 4.100 2.644 ( 1.197 -4.776 -0.673) 4.970 3.011 ( 3.122 2.181 0.502) 3.841 3.195 ( 7.659 0.077 -9.122) 11.911 3.304 ( 8.212 -2.453 0.380) 8.579 3.379 ( 0.624 -7.206 2.846) 7.773 3.395 ( 9.328 -0.940 5.416) 10.827 3.490 ( 4.117 4.005 10.259) 11.757 3.557 ( -0.371 -3.094 0.166) 3.121 3.720 ( 6.171 -3.972 4.168) 8.439 3.951 ( -6.616 -5.796 -4.168) 9.733 4.046 ( 3.514 4.449 -3.808) 6.829 4.110 ( -1.052 -5.652 -3.091) 6.527 4.155 ( -14.922 1.253 -8.513) 17.225 4.354 ( 2.402 -0.944 -5.721) 6.276 4.409 ( -3.161 3.484 2.314) 5.242 4.522 ( -1.728 2.154 3.760) 4.665 4.588 ( -5.431 2.273 0.263) 5.894 4.730 ( -4.268 -0.337 3.354) 5.439 4.918 ( -13.124 -1.186 -7.344) 15.085 4.923 ( -7.110 -9.491 -2.972) 12.225 5.072 ( -2.278 -3.027 0.181) 3.793 5.149 ( -3.523 3.408 6.216) 7.916 5.237 ( 4.313 -1.703 -0.617) 4.678 5.268 ( -2.647 -3.261 -4.209) 5.946 5.301 ( 1.966 -0.923 8.525) 8.797 5.390 ( -7.739 2.471 1.187) 8.210 5.500 ( -4.056 -3.146 3.288) 6.095 5.564 ( 3.152 6.805 -2.804) 8.007 5.662 ( -3.565 -3.860 0.317) 5.264 5.684 ( -4.156 0.188 -1.358) 4.376 5.833 ( -4.634 5.452 4.157) 8.275 5.846 ( -0.325 4.053 -1.277) 4.262 5.914 ( 3.099 6.876 -3.246) 8.211 6.037 ( 8.216 7.697 -3.475) 11.782 6.050 ( 5.629 3.358 -3.774) 7.563 6.178 ( -5.055 9.632 1.248) 10.949 6.252 ( -0.898 -0.128 -2.983) 3.118 6.509 ( 5.390 2.161 1.987) 6.138 6.522 ( -1.051 -1.807 1.616) 2.642 6.606 ( 1.746 -4.266 -5.002) 6.802 6.647 ( 5.320 -0.442 -1.084) 5.448 6.719 ( 2.953 0.788 5.559) 6.343 6.762 ( 6.576 2.609 0.861) 7.127 6.915 ( -0.590 -3.073 2.308) 3.888 7.064 ( 12.099 5.341 -1.006) 13.263 7.130 ( 0.439 -1.524 0.920) 1.834 7.225 ( -1.923 -0.125 2.346) 3.035 7.291 ( 2.354 0.478 -2.183) 3.246 7.360 ( 7.291 4.288 -2.636) 8.860 7.439 ( -4.469 -7.248 2.741) 8.945 7.479 ( 0.366 0.281 3.016) 3.051 7.587 ( 2.730 -0.500 -0.993) 2.948 7.674 ( 3.492 1.913 0.613) 4.028 7.744 ( 2.538 -0.656 -0.500) 2.669 7.771 ( 1.817 4.693 -9.684) 10.913 7.857 ( -2.265 -1.809 -0.561) 2.952 8.012 ( -2.166 5.099 9.781) 11.241 8.089 ( -0.015 -1.682 1.895) 2.534 8.284 ( 1.382 -1.467 2.917) 3.545 8.324 ( 9.509 0.106 6.646) 11.602 8.394 ( 0.804 0.309 8.610) 8.653 8.507 ( 0.209 -2.175 -0.285) 2.203 8.795 ( -2.850 0.588 -18.242) 18.473 8.864 ( -12.223 -2.098 -6.642) 14.068 8.974 ( 3.779 -0.594 4.345) 5.789 9.116 ( -3.249 -2.354 -4.131) 5.759 9.406 ( 6.116 1.739 2.682) 6.901 9.474 ( -0.737 -1.768 3.113) 3.655 9.526 ( -3.277 -1.068 0.841) 3.548 9.678 ( -2.325 -3.381 1.734) 4.455 9.782 ( 5.967 5.798 7.929) 11.493 10.015 ( -0.019 -10.052 3.960) 10.804 10.073 ( -2.464 -1.324 0.794) 2.907 10.091 ( -1.238 -2.232 -1.264) 2.848 10.203 ( 2.872 1.448 6.958) 7.665 10.313 ( -3.472 -5.088 -7.255) 9.517 10.670 ( -5.726 0.615 -3.363) 6.670 10.822 ( -5.339 -0.147 -2.651) 5.963 10.913 ( -4.995 -0.341 -5.025) 7.093 11.166 ( -0.088 -5.866 -10.445) 11.980 11.595 ( 0.340 3.200 0.053) 3.219 11.616 ( 0.017 4.206 -0.913) 4.304 11.961 ( 0.819 -3.700 5.664) 6.815 12.306 ( 1.554 -7.898 -3.489) 8.773 12.698 ( 1.046 1.462 0.192) 1.808 12.787 ( 0.058 -1.340 -1.153) 1.768 12.919 ( 3.144 0.699 3.368) 4.660 13.155 ( 1.834 -4.936 -0.891) 5.340 13.305 ( -1.435 -0.407 -3.671) 3.963 13.440 ( 5.597 -3.218 -2.121) 6.796 13.557 ( -0.608 4.659 1.299) 4.875 13.625 ( 0.305 3.039 2.069) 3.689 13.755 ( 9.096 0.461 8.940) 12.762 13.865 ( 15.596 -1.904 8.043) 17.651 14.091 ( -0.272 2.121 -4.097) 4.622 14.274 ( -1.229 -2.530 -8.493) 8.947 14.783 ( 3.359 1.769 5.957) 7.064 14.922 ( -2.949 -0.280 2.958) 4.186 15.078 ( -3.344 7.101 1.521) 7.995 15.255 ( -4.852 0.742 -7.016) 8.562 15.319 ( -3.006 -0.734 -2.648) 4.073 15.545 ( -0.289 -4.265 -6.859) 8.082 15.647 ( 2.144 1.420 1.814) 3.147 15.703 ( -2.320 1.007 1.435) 2.907 16.023 ( -2.386 0.090 2.402) 3.387 16.132 ( -1.433 -0.854 2.405) 2.927 16.232 ( -2.307 -1.055 -0.404) 2.569 16.391 ( 1.616 0.711 -0.094) 1.768 19.260 ( 3.038 -2.310 2.886) 4.785 19.387 ( 2.356 -4.110 0.791) 4.802 19.512 ( -0.832 2.359 -1.519) 2.926 19.605 ( -5.474 1.382 -4.784) 7.400 24.887 ( -1.302 0.901 -2.520) 2.977 24.978 ( -0.206 -1.793 -3.264) 3.730 25.013 ( -0.688 -0.408 -0.628) 1.017 25.142 ( -0.912 -2.506 -8.439) 8.850 26.292 ( -1.872 0.374 0.013) 1.909 26.360 ( 1.612 -0.158 0.541) 1.708 26.616 ( -0.314 0.273 6.004) 6.019 26.729 ( 0.526 0.775 1.302) 1.604 27.596 ( 2.772 2.313 1.530) 3.921 27.622 ( -1.315 2.800 -1.282) 3.348 27.758 ( 1.305 0.335 4.917) 5.098 27.804 ( -0.711 1.167 1.108) 1.760 27.873 ( -1.390 -1.562 2.173) 3.015 27.946 ( 0.588 0.445 -0.604) 0.953 28.051 ( 1.836 3.295 2.955) 4.792 28.184 ( -2.790 -1.973 -2.576) 4.279 28.309 ( -0.525 -1.719 -4.513) 4.858 28.421 ( -3.137 -0.979 -0.975) 3.428 28.494 ( 3.357 6.398 -4.737) 8.640 28.700 ( -0.932 -0.439 -3.880) 4.015 28.776 ( -1.817 -1.248 5.636) 6.052 28.954 ( -1.443 -5.006 3.106) 6.066 29.263 ( 1.727 -8.354 -4.735) 9.756 29.326 ( -0.541 -6.845 -3.455) 7.686 29.648 ( 2.481 11.792 2.840) 12.381 29.916 ( 3.143 3.530 -3.467) 5.862 30.215 ( -1.931 2.779 9.449) 10.037 30.467 ( 1.248 -2.164 2.073) 3.246 ======================= Grid point 61 (29/72) ======================= q-point: (-0.29 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -25.412 18.821 2.087) 31.691 1.759 ( -35.701 18.351 -5.659) 40.539 2.283 ( -14.908 2.639 -3.141) 15.462 2.309 ( -17.362 1.884 5.480) 18.303 2.526 ( -24.879 3.159 5.489) 25.673 2.931 ( -12.109 10.045 -8.211) 17.747 3.152 ( 2.392 -12.801 -3.865) 13.584 3.281 ( -2.350 -5.349 -3.722) 6.927 3.391 ( -1.457 -6.691 -5.727) 8.927 3.523 ( 5.285 -9.270 4.655) 11.642 3.619 ( 1.296 1.793 -4.980) 5.449 3.660 ( 8.123 -3.767 0.577) 8.972 3.724 ( 4.161 -3.379 2.418) 5.880 3.976 ( 3.199 2.447 4.658) 6.158 4.011 ( 3.448 2.102 4.778) 6.256 4.105 ( 0.800 -0.187 -4.024) 4.107 4.171 ( 2.774 -3.396 0.144) 4.387 4.234 ( -2.745 6.170 -9.706) 11.824 4.369 ( -3.747 0.667 2.960) 4.822 4.495 ( -1.652 1.014 2.496) 3.160 4.551 ( -3.361 2.472 -1.471) 4.424 4.617 ( -13.785 3.580 5.302) 15.197 4.668 ( -0.445 -3.905 5.649) 6.882 4.837 ( 2.180 -3.948 -2.305) 5.065 5.028 ( -2.624 -2.079 0.126) 3.350 5.089 ( -8.259 1.829 -7.676) 11.422 5.167 ( -1.251 2.427 -3.479) 4.422 5.253 ( -2.133 2.270 3.357) 4.580 5.331 ( -5.804 -5.405 4.592) 9.165 5.392 ( -11.409 7.626 -0.510) 13.733 5.436 ( -2.067 -3.804 5.993) 7.393 5.535 ( -0.341 1.748 2.337) 2.939 5.554 ( -4.332 -1.205 2.840) 5.318 5.614 ( 1.107 3.487 -0.212) 3.665 5.818 ( -3.364 4.806 1.876) 6.159 5.838 ( -0.893 1.838 -0.438) 2.090 5.984 ( -1.726 9.784 -1.917) 10.118 6.047 ( 5.473 -2.868 0.543) 6.203 6.160 ( 7.329 -5.077 -0.927) 8.964 6.210 ( 1.655 0.546 -1.019) 2.019 6.244 ( 5.127 3.397 -0.347) 6.160 6.425 ( -6.227 -6.052 -5.233) 10.138 6.534 ( 1.343 -7.062 -2.911) 7.756 6.638 ( 1.508 8.460 1.407) 8.708 6.736 ( 6.270 -3.773 -2.443) 7.715 6.809 ( -1.571 1.175 3.278) 3.820 6.851 ( 4.832 2.304 -0.007) 5.353 6.942 ( 3.455 0.490 -1.080) 3.653 7.100 ( -2.509 -1.733 -2.778) 4.125 7.132 ( 0.892 -4.547 -2.275) 5.162 7.233 ( -0.190 -0.503 -0.984) 1.121 7.359 ( -1.884 0.022 1.321) 2.302 7.415 ( 9.099 -3.865 -0.343) 9.891 7.472 ( -0.026 0.113 -2.506) 2.508 7.541 ( 8.577 1.373 -0.580) 8.706 7.604 ( 2.187 9.246 -11.932) 15.253 7.684 ( 3.571 2.823 -2.859) 5.376 7.772 ( 5.045 6.842 0.919) 8.550 7.823 ( 2.659 -5.339 3.374) 6.852 7.893 ( -2.189 -5.006 6.601) 8.569 8.012 ( 0.018 -0.089 3.103) 3.104 8.216 ( 5.179 1.574 2.077) 5.798 8.362 ( 3.128 -1.416 4.357) 5.547 8.447 ( -3.672 -0.961 -8.332) 9.156 8.471 ( -0.513 -1.358 -2.812) 3.165 8.559 ( 5.625 -0.876 -5.600) 7.986 8.632 ( -1.448 2.309 2.856) 3.948 8.704 ( 6.334 4.314 12.676) 14.813 9.009 ( -0.221 2.603 0.047) 2.613 9.212 ( 8.779 -2.021 6.248) 10.963 9.346 ( -8.412 -1.675 -3.968) 9.450 9.486 ( 2.281 -1.823 1.178) 3.149 9.580 ( 0.761 1.642 1.169) 2.155 9.716 ( 4.142 -6.286 8.466) 11.329 9.971 ( 2.049 0.384 1.673) 2.673 9.990 ( -1.724 1.606 -3.407) 4.142 10.056 ( -0.374 -0.789 5.941) 6.005 10.125 ( 4.179 -6.553 -2.118) 8.056 10.252 ( 3.487 -0.351 7.385) 8.175 10.382 ( 4.871 -0.228 -1.016) 4.981 10.545 ( -3.444 3.701 6.138) 7.952 10.662 ( -5.242 -0.643 3.356) 6.257 10.797 ( -5.049 2.614 -3.456) 6.654 10.993 ( -6.620 -5.336 -11.604) 14.385 11.515 ( -4.993 6.406 -1.607) 8.280 11.693 ( 5.061 0.037 0.514) 5.087 11.984 ( -2.946 -5.663 3.606) 7.332 12.229 ( -4.599 -5.060 -5.511) 8.782 12.741 ( 2.710 -1.214 1.708) 3.425 12.799 ( 3.859 -1.365 -1.518) 4.366 12.979 ( -2.406 -1.106 -1.769) 3.184 13.142 ( 2.218 0.896 2.832) 3.707 13.265 ( 1.177 0.749 -2.571) 2.925 13.502 ( 4.349 -3.716 -6.114) 8.372 13.577 ( 1.842 2.575 1.648) 3.569 13.656 ( 1.621 2.496 0.284) 2.989 13.885 ( -7.472 -0.335 -12.930) 14.937 14.026 ( 1.180 -4.190 -7.862) 8.987 14.198 ( 8.072 2.000 -5.139) 9.776 14.303 ( 16.345 -2.785 6.124) 17.675 14.771 ( -8.088 0.709 -2.706) 8.559 14.920 ( 0.153 0.431 6.935) 6.950 15.094 ( 0.790 5.707 6.254) 8.503 15.152 ( -1.278 1.110 1.154) 2.048 15.250 ( -0.500 -2.434 -0.033) 2.485 15.512 ( 1.858 -5.820 -4.641) 7.673 15.640 ( -0.972 0.687 0.563) 1.317 15.742 ( 2.254 2.929 1.042) 3.840 15.995 ( -5.597 -3.145 5.469) 8.433 16.070 ( -5.753 -3.020 -0.804) 6.547 16.174 ( -5.102 1.127 1.302) 5.385 16.334 ( -4.872 -2.840 -6.535) 8.632 19.250 ( -4.391 0.520 -2.059) 4.878 19.372 ( -0.399 -0.983 -1.713) 2.014 19.474 ( -1.814 3.330 -2.041) 4.306 19.647 ( 7.964 -1.428 5.212) 9.625 24.841 ( -1.535 1.148 -0.989) 2.156 24.911 ( -2.191 -1.554 -4.216) 4.999 24.979 ( -2.730 -2.268 -3.589) 5.048 25.038 ( -1.455 -0.616 -4.314) 4.594 26.256 ( -2.396 1.124 0.840) 2.776 26.387 ( 0.915 -0.784 -0.184) 1.219 26.653 ( -1.138 -0.173 3.676) 3.852 26.749 ( 0.712 1.633 0.301) 1.807 27.567 ( -2.238 2.592 -3.514) 4.907 27.662 ( 2.242 2.040 1.452) 3.361 27.784 ( -0.872 0.843 1.568) 1.983 27.844 ( 0.809 -0.193 3.434) 3.533 27.872 ( -1.672 -0.066 1.068) 1.985 27.946 ( -1.213 -2.673 -2.217) 3.678 28.029 ( -3.441 2.948 -2.096) 4.993 28.146 ( 3.056 3.042 1.890) 4.708 28.271 ( -0.193 -4.663 -1.583) 4.928 28.387 ( -1.820 -3.353 1.349) 4.046 28.514 ( 2.548 5.406 -6.539) 8.859 28.683 ( 0.132 -1.391 3.096) 3.396 28.818 ( 2.135 1.828 5.319) 6.017 28.942 ( -3.537 -6.821 2.964) 8.236 29.225 ( -0.645 -6.609 -5.995) 8.946 29.284 ( 1.606 -6.254 -2.315) 6.859 29.701 ( -0.278 8.469 0.737) 8.506 29.848 ( -3.249 4.088 -7.736) 9.333 30.390 ( 7.957 6.206 15.718) 18.678 30.571 ( 6.827 -1.322 1.444) 7.102 ======================= Grid point 62 (30/72) ======================= q-point: (-0.14 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -27.657 25.204 -1.505) 37.449 1.171 ( -21.217 27.203 17.877) 38.855 1.902 ( -32.571 25.338 25.738) 48.635 1.976 ( -21.315 13.413 10.696) 27.361 2.217 ( -15.272 0.878 11.073) 18.884 2.717 ( -3.168 2.359 -5.431) 6.715 2.982 ( -11.801 -14.990 -11.684) 22.371 3.240 ( -2.492 -8.043 -2.668) 8.833 3.346 ( 8.193 -8.349 -8.674) 14.563 3.416 ( -0.805 2.402 -12.541) 12.795 3.731 ( 6.082 -0.650 4.226) 7.435 3.841 ( -0.517 -2.338 -11.122) 11.377 3.874 ( 8.470 -3.011 3.953) 9.820 3.913 ( -4.386 1.379 -9.192) 10.278 3.965 ( -0.384 -7.456 0.390) 7.476 4.086 ( -0.471 3.856 -2.311) 4.520 4.120 ( -2.405 -1.154 6.213) 6.761 4.270 ( 1.943 3.196 -0.054) 3.741 4.334 ( -2.725 1.376 4.548) 5.477 4.442 ( -5.480 -1.468 2.404) 6.162 4.590 ( 5.062 -3.285 -2.620) 6.578 4.636 ( 6.204 5.361 7.029) 10.800 4.741 ( -7.086 1.038 -5.936) 9.301 4.811 ( 2.338 3.667 -6.015) 7.422 4.905 ( 1.647 3.272 3.755) 5.246 5.003 ( -3.341 0.244 -6.695) 7.486 5.043 ( -0.737 1.125 4.352) 4.555 5.164 ( -10.653 5.430 2.107) 12.141 5.257 ( -1.732 1.849 -0.536) 2.589 5.279 ( -1.983 -2.829 2.450) 4.235 5.450 ( -10.565 -1.441 7.094) 12.807 5.467 ( -6.421 -5.135 0.419) 8.233 5.505 ( 0.021 -1.609 1.175) 1.993 5.670 ( -1.494 0.843 3.210) 3.640 5.757 ( -2.656 2.164 0.799) 3.518 5.816 ( -2.165 3.288 0.509) 3.970 5.966 ( -2.712 2.202 1.692) 3.882 6.089 ( 3.761 -4.577 -7.720) 9.731 6.171 ( -2.561 2.930 -7.951) 8.852 6.246 ( 1.638 4.142 0.981) 4.561 6.272 ( 2.393 -8.322 -2.193) 8.932 6.385 ( 7.393 -2.038 3.518) 8.438 6.507 ( -2.060 0.513 0.945) 2.324 6.701 ( -2.262 1.564 3.974) 4.833 6.752 ( 0.297 1.540 -1.831) 2.411 6.836 ( 0.755 -0.352 -0.300) 0.885 6.912 ( 3.576 -1.543 -3.342) 5.132 7.013 ( 1.612 4.227 -0.003) 4.524 7.070 ( 7.508 1.600 -5.051) 9.189 7.166 ( 3.121 -2.367 2.346) 4.565 7.231 ( 3.921 -1.536 -3.226) 5.305 7.360 ( -2.115 0.258 3.416) 4.025 7.431 ( -1.322 -4.663 1.144) 4.981 7.459 ( -0.889 8.066 -7.718) 11.199 7.589 ( 6.839 -1.574 -2.339) 7.398 7.615 ( -2.772 0.584 -1.144) 3.055 7.678 ( 4.128 0.240 -2.856) 5.026 7.842 ( 3.568 -4.243 -5.057) 7.504 7.904 ( 2.938 -2.291 1.211) 3.918 7.967 ( 3.199 1.235 7.923) 8.633 8.132 ( 8.067 -0.241 0.789) 8.109 8.245 ( 1.744 0.395 -5.525) 5.807 8.305 ( -1.897 -0.983 0.023) 2.136 8.396 ( -2.442 -2.558 -1.819) 3.977 8.456 ( 0.739 -2.951 0.659) 3.112 8.610 ( 2.585 1.501 -1.352) 3.281 8.704 ( 4.852 4.771 5.368) 8.667 9.011 ( 1.035 -3.134 7.073) 7.805 9.098 ( 2.192 -0.345 -0.327) 2.243 9.181 ( 3.622 -1.138 5.332) 6.545 9.312 ( -1.842 -2.178 2.988) 4.130 9.427 ( -6.695 -0.061 -5.200) 8.478 9.610 ( 2.155 -0.299 1.225) 2.497 9.852 ( -6.534 -3.417 -5.196) 9.020 9.904 ( 4.747 -4.624 0.413) 6.640 10.030 ( -0.278 -5.974 2.494) 6.479 10.099 ( -5.427 1.336 2.958) 6.323 10.216 ( 8.631 -1.174 4.747) 9.920 10.326 ( 2.505 7.446 -3.196) 8.481 10.526 ( 4.563 1.196 7.534) 8.889 10.644 ( -5.023 0.492 -4.460) 6.735 10.681 ( -2.071 0.644 -2.310) 3.169 10.739 ( -1.538 0.432 -2.827) 3.247 10.816 ( 11.352 6.046 4.433) 13.604 11.435 ( -1.819 6.191 0.389) 6.464 11.776 ( 3.413 0.437 1.294) 3.676 11.969 ( -1.338 -6.495 -1.319) 6.761 12.171 ( 4.449 -4.126 11.341) 12.862 12.809 ( 5.691 -0.921 1.829) 6.048 12.886 ( 1.599 -0.600 -1.021) 1.990 12.989 ( 8.294 0.597 4.474) 9.442 13.151 ( -1.565 0.778 -0.989) 2.008 13.218 ( -12.811 -4.674 -24.299) 27.865 13.297 ( -7.067 -3.423 -7.394) 10.785 13.556 ( -1.325 5.118 -6.926) 8.713 13.662 ( 1.205 0.026 0.852) 1.476 13.709 ( -0.342 0.935 0.588) 1.156 13.799 ( -6.450 -0.082 0.908) 6.514 14.315 ( 5.051 1.996 -0.865) 5.500 14.466 ( 0.717 -5.093 -0.537) 5.171 14.757 ( 5.887 6.383 0.116) 8.684 14.963 ( -1.164 -1.464 2.224) 2.905 15.167 ( -2.526 -2.978 6.464) 7.552 15.199 ( -2.126 2.012 3.386) 4.476 15.277 ( 4.354 0.855 0.627) 4.481 15.520 ( 1.400 -5.381 -0.411) 5.576 15.637 ( -0.003 0.954 -1.794) 2.031 15.773 ( 0.339 -1.192 -0.326) 1.281 15.908 ( -7.611 -5.458 1.600) 9.501 15.971 ( -5.822 -3.314 3.122) 7.391 16.039 ( -9.183 3.181 -2.258) 9.977 16.132 ( -5.919 -2.432 -1.685) 6.617 19.186 ( 0.966 5.954 -3.890) 7.178 19.314 ( -0.648 -0.465 -1.329) 1.550 19.508 ( 1.181 3.049 2.030) 3.849 19.798 ( 3.416 -1.662 1.205) 3.985 24.811 ( -1.353 0.247 0.183) 1.388 24.829 ( -1.083 0.870 -0.422) 1.452 24.882 ( -2.492 0.390 -0.337) 2.545 25.008 ( -1.674 -1.208 1.642) 2.638 26.226 ( -1.897 1.429 0.998) 2.576 26.385 ( -0.195 -1.477 -1.294) 1.974 26.652 ( -1.736 0.669 1.046) 2.134 26.754 ( 1.248 2.118 -3.375) 4.175 27.485 ( -1.851 2.743 -0.592) 3.362 27.698 ( 0.466 0.781 -0.233) 0.939 27.780 ( -0.421 0.491 -0.820) 1.045 27.799 ( -1.847 1.380 -0.248) 2.319 27.883 ( 0.124 0.244 3.201) 3.213 27.902 ( -2.442 0.781 1.933) 3.211 28.032 ( 0.972 1.764 0.580) 2.096 28.219 ( 0.806 -1.183 1.256) 1.904 28.278 ( 2.250 -2.683 1.825) 3.949 28.347 ( -3.674 -3.370 0.823) 5.053 28.505 ( 3.048 2.494 -2.090) 4.458 28.685 ( -5.927 -4.450 7.430) 10.495 28.870 ( -4.856 -4.538 1.318) 6.776 28.999 ( 6.994 2.595 3.415) 8.204 29.168 ( 2.271 -3.178 -4.597) 6.032 29.294 ( 0.964 -5.091 -2.857) 5.917 29.675 ( -1.607 2.213 -0.936) 2.891 29.730 ( -1.337 3.493 -0.649) 3.796 30.677 ( 4.785 -0.106 -3.390) 5.865 30.721 ( 10.743 4.309 -0.651) 11.593 ======================= Grid point 63 (31/72) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 8.040 19.559 25.989) 33.506 1.695 ( 0.896 29.403 17.509) 34.233 2.046 ( 1.566 -0.841 11.179) 11.320 2.117 ( -2.495 7.259 13.172) 15.246 2.553 ( 3.485 -12.149 -2.498) 12.883 2.732 ( -6.231 25.275 9.752) 27.798 2.879 ( 8.934 9.749 13.786) 19.102 2.954 ( 5.534 -6.806 7.421) 11.490 3.164 ( 4.281 -12.290 -0.571) 13.026 3.470 ( -1.886 8.929 -18.544) 20.668 3.562 ( 0.587 4.190 -13.115) 13.781 3.760 ( 0.514 -1.367 -7.105) 7.254 3.835 ( 0.981 1.478 -5.971) 6.229 3.918 ( -4.577 -8.846 -2.016) 10.162 3.988 ( -0.884 4.543 3.295) 5.681 4.091 ( -7.128 -4.698 5.005) 9.896 4.123 ( 0.211 -3.466 -0.195) 3.478 4.252 ( -1.688 8.501 -0.932) 8.717 4.320 ( 7.942 0.758 0.672) 8.007 4.385 ( -4.911 -7.539 -0.270) 9.001 4.560 ( -3.128 3.440 -1.615) 4.922 4.584 ( -3.744 2.392 2.212) 4.963 4.758 ( -0.347 -6.928 -6.409) 9.444 4.805 ( -5.477 -3.077 -5.942) 8.647 4.824 ( 0.455 -2.294 -5.776) 6.231 5.050 ( 0.679 -3.315 2.574) 4.251 5.107 ( 4.279 0.099 -3.285) 5.395 5.161 ( -0.148 1.582 3.818) 4.136 5.242 ( 6.353 3.710 1.610) 7.531 5.284 ( -4.636 -1.960 -4.284) 6.610 5.358 ( -4.980 -0.154 4.751) 6.884 5.462 ( 7.430 5.989 7.438) 12.099 5.525 ( 4.527 -1.522 -0.927) 4.865 5.621 ( 2.454 -7.922 -4.406) 9.391 5.687 ( -0.423 4.392 8.646) 9.707 5.873 ( -3.250 4.825 -2.624) 6.382 5.887 ( 2.201 -5.893 -6.301) 8.904 5.997 ( 3.623 -5.534 3.958) 7.708 6.156 ( -2.110 5.095 3.183) 6.367 6.233 ( 0.974 -2.331 1.674) 3.031 6.344 ( -4.107 1.057 -3.114) 5.262 6.518 ( -3.213 5.452 2.963) 6.987 6.550 ( 2.641 1.476 0.822) 3.135 6.624 ( -4.047 0.873 0.088) 4.141 6.738 ( 3.089 1.026 -1.816) 3.727 6.918 ( -0.141 2.782 0.275) 2.799 6.932 ( -2.644 -1.583 -9.326) 9.822 6.973 ( 0.183 3.157 0.501) 3.201 7.124 ( 2.783 -2.502 1.763) 4.137 7.183 ( 0.064 -8.081 -6.787) 10.553 7.242 ( -5.045 -4.336 2.429) 7.081 7.268 ( -0.111 -3.244 0.306) 3.260 7.366 ( -3.178 4.717 3.571) 6.716 7.468 ( 3.951 1.259 3.653) 5.526 7.576 ( 3.551 -8.686 2.106) 9.617 7.640 ( 2.900 3.787 -5.333) 7.155 7.769 ( 7.990 -3.726 -1.013) 8.874 7.840 ( -1.857 2.569 -0.536) 3.215 7.928 ( 0.289 -0.457 -3.154) 3.200 7.986 ( -2.108 -5.318 6.096) 8.359 8.208 ( -0.037 1.791 -0.174) 1.800 8.216 ( 2.139 -0.783 0.626) 2.362 8.290 ( -2.367 -2.882 -2.598) 4.545 8.320 ( -1.526 -3.635 0.356) 3.959 8.451 ( 5.580 2.938 -2.260) 6.699 8.567 ( -0.427 -1.717 -4.711) 5.033 8.793 ( -2.007 2.119 -0.352) 2.940 8.916 ( -3.279 -4.054 0.750) 5.268 9.162 ( 0.944 2.152 0.187) 2.357 9.239 ( -0.849 0.505 -2.618) 2.798 9.290 ( -4.235 1.367 -1.442) 4.678 9.395 ( 5.604 -1.676 0.509) 5.872 9.616 ( -4.996 1.734 -0.317) 5.298 9.706 ( -0.664 -2.606 0.204) 2.697 9.809 ( -1.196 3.203 -6.275) 7.146 9.933 ( 6.119 -5.292 4.057) 9.050 10.088 ( -2.047 4.158 -0.094) 4.635 10.261 ( -0.761 -3.375 0.502) 3.496 10.461 ( -4.806 5.900 -5.226) 9.232 10.537 ( -5.169 2.207 -7.329) 9.236 10.566 ( -5.194 3.337 -0.030) 6.173 10.671 ( -7.675 0.403 -3.071) 8.276 10.743 ( 6.897 -2.438 4.104) 8.388 10.796 ( -2.271 0.519 -2.231) 3.225 11.541 ( 0.268 7.414 -0.734) 7.455 11.798 ( 0.705 -3.281 3.375) 4.760 11.900 ( 2.500 -1.738 -1.669) 3.472 12.026 ( -5.839 -5.310 -0.853) 7.938 12.804 ( -5.630 -1.617 -3.729) 6.944 12.818 ( -2.900 -2.723 -1.909) 4.412 13.085 ( -3.935 2.839 -1.954) 5.231 13.141 ( 0.442 1.222 -0.567) 1.417 13.319 ( 11.677 1.381 7.826) 14.125 13.492 ( 20.076 -8.948 14.508) 26.336 13.578 ( -0.667 2.340 -4.204) 4.857 13.664 ( -1.477 -2.284 0.101) 2.722 13.812 ( 16.165 -0.810 13.645) 21.170 13.862 ( 10.466 -2.324 12.276) 16.298 14.416 ( 0.480 1.339 1.806) 2.299 14.452 ( 0.748 -1.051 2.184) 2.536 14.820 ( -6.496 1.443 -2.293) 7.038 14.877 ( -8.181 -1.930 -3.409) 9.071 15.022 ( -4.610 4.947 -9.269) 11.473 15.187 ( -3.907 -1.530 -8.472) 9.454 15.371 ( -1.389 1.236 5.079) 5.408 15.465 ( 2.300 0.638 -0.103) 2.389 15.618 ( -3.153 0.340 1.648) 3.574 15.693 ( -0.223 -2.197 0.169) 2.214 15.807 ( -0.627 0.949 -1.275) 1.709 15.863 ( 0.685 -1.772 0.011) 1.900 16.068 ( 1.798 2.475 2.553) 3.984 16.131 ( 4.097 -1.414 3.630) 5.653 19.260 ( 2.741 3.227 -1.116) 4.379 19.344 ( 3.581 -1.414 2.361) 4.517 19.539 ( -4.649 4.810 -3.932) 7.760 19.719 ( -4.640 -3.765 -4.542) 7.506 24.846 ( 0.902 0.035 2.286) 2.458 24.865 ( 2.370 -0.982 4.161) 4.889 24.912 ( 1.623 0.116 1.790) 2.419 24.984 ( 1.303 -2.325 2.048) 3.361 26.249 ( -0.606 2.317 0.996) 2.594 26.334 ( -0.434 -1.951 -0.310) 2.022 26.649 ( -1.631 2.431 -2.144) 3.628 26.729 ( -0.054 -1.052 -4.166) 4.297 27.595 ( 4.096 2.209 3.543) 5.849 27.669 ( 0.798 -1.253 0.211) 1.501 27.818 ( 0.208 0.711 0.120) 0.751 27.852 ( -1.050 1.211 3.455) 3.809 27.872 ( -1.975 1.445 0.314) 2.468 27.937 ( 0.755 0.510 3.780) 3.888 28.089 ( -3.432 -0.901 3.681) 5.113 28.161 ( 2.131 -0.840 -1.054) 2.521 28.203 ( -4.227 -1.293 4.038) 5.987 28.352 ( 3.794 -3.645 3.227) 6.172 28.529 ( -2.346 1.127 1.653) 3.084 28.651 ( -1.114 -1.736 -2.122) 2.959 28.775 ( 0.515 3.851 2.130) 4.431 29.055 ( 1.190 -2.693 -3.378) 4.481 29.131 ( -2.923 -2.105 -1.710) 3.987 29.229 ( 0.863 -1.936 -1.491) 2.592 29.773 ( 6.764 2.901 5.251) 9.041 29.833 ( 4.770 0.456 6.343) 7.950 30.615 ( -9.341 3.232 -17.616) 20.200 30.637 ( -2.751 -0.160 -10.090) 10.459 ======================= Grid point 64 (32/72) ======================= q-point: ( 0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 7.155 17.446 20.495) 27.850 2.124 ( 6.331 9.804 11.821) 16.611 2.276 ( 11.178 11.217 17.630) 23.697 2.356 ( 14.039 5.807 11.144) 18.842 2.653 ( 6.410 -5.981 -2.773) 9.195 2.800 ( -2.002 2.483 6.563) 7.297 2.993 ( 1.014 -11.152 -9.398) 14.619 3.151 ( 0.229 -9.186 -5.321) 10.619 3.272 ( 6.592 3.098 -4.319) 8.468 3.423 ( 18.937 19.616 18.150) 32.754 3.568 ( -5.147 -4.921 -10.455) 12.650 3.632 ( -3.725 8.576 -20.182) 22.243 3.697 ( 13.449 0.893 -3.192) 13.852 3.851 ( -11.460 1.923 6.001) 13.079 3.972 ( 2.398 4.268 -3.566) 6.057 4.014 ( 0.251 -4.190 4.044) 5.829 4.098 ( -2.520 -0.031 0.558) 2.582 4.221 ( -2.053 1.821 0.071) 2.745 4.306 ( -1.609 1.667 -0.674) 2.413 4.456 ( 2.846 -1.242 3.032) 4.340 4.561 ( -1.136 -0.692 0.017) 1.330 4.575 ( 2.796 -3.327 4.385) 6.173 4.653 ( 0.595 -8.731 -2.240) 9.033 4.723 ( -1.534 -0.874 -2.879) 3.378 4.795 ( 3.055 -5.814 -3.158) 7.287 5.003 ( -4.172 -9.492 -6.234) 12.098 5.143 ( -0.724 4.362 1.027) 4.539 5.192 ( 2.691 -2.004 -0.524) 3.396 5.208 ( 1.638 -1.006 -6.102) 6.397 5.309 ( 3.058 3.278 4.402) 6.283 5.495 ( 9.546 9.004 -7.999) 15.368 5.521 ( 3.603 -9.078 -3.575) 10.400 5.646 ( 1.704 2.409 -0.347) 2.971 5.735 ( -1.352 2.815 2.498) 3.999 5.773 ( -1.271 1.669 7.271) 7.568 5.825 ( 10.895 8.156 5.922) 14.842 5.915 ( 8.323 -4.999 -5.596) 11.206 6.050 ( -4.012 1.037 7.815) 8.846 6.202 ( 4.761 -0.964 4.398) 6.552 6.284 ( 2.576 4.619 4.353) 6.850 6.322 ( 1.237 -2.848 1.102) 3.294 6.449 ( -2.096 4.658 -4.546) 6.838 6.558 ( -3.340 0.506 -3.246) 4.685 6.573 ( -0.223 6.307 1.903) 6.592 6.747 ( -0.797 1.486 -1.549) 2.290 6.832 ( -2.367 -1.309 -0.304) 2.722 6.883 ( 0.085 -3.740 -0.713) 3.809 7.025 ( 2.692 -0.932 -0.560) 2.904 7.082 ( -2.226 -1.497 -8.308) 8.730 7.137 ( -3.671 -2.510 -0.197) 4.452 7.180 ( 2.442 -4.391 -3.458) 6.099 7.245 ( -2.744 -0.767 -0.427) 2.881 7.330 ( -4.967 -0.080 4.116) 6.452 7.515 ( -4.738 -1.485 2.897) 5.748 7.605 ( 3.115 1.140 -8.734) 9.342 7.689 ( -1.603 -2.953 6.815) 7.598 7.754 ( 0.905 -1.410 -4.141) 4.467 7.854 ( -4.389 0.767 0.775) 4.523 7.877 ( -0.073 2.228 -2.379) 3.260 8.015 ( 0.439 -8.801 2.766) 9.236 8.126 ( -6.222 -0.038 -5.261) 8.148 8.228 ( -4.422 0.924 3.122) 5.491 8.286 ( 0.499 -0.770 0.469) 1.031 8.321 ( 1.665 0.068 1.292) 2.109 8.464 ( -1.447 1.968 -1.730) 2.993 8.515 ( 2.078 -2.223 -2.004) 3.643 8.747 ( -11.714 0.434 0.116) 11.723 8.912 ( 2.656 -5.012 0.218) 5.677 9.025 ( -7.985 -0.270 -4.822) 9.332 9.136 ( 0.079 -3.432 4.637) 5.770 9.285 ( 0.606 2.899 -1.500) 3.320 9.464 ( 4.915 -2.655 -1.479) 5.779 9.584 ( -0.180 3.309 3.352) 4.713 9.692 ( 1.572 0.585 2.892) 3.343 9.812 ( -0.996 6.614 -4.162) 7.878 9.943 ( -7.450 0.012 -4.818) 8.872 10.120 ( -4.073 3.823 -2.235) 6.016 10.159 ( -3.800 3.277 -1.538) 5.248 10.350 ( -3.271 -1.816 -4.765) 6.059 10.401 ( 2.917 -1.819 4.436) 5.612 10.487 ( -1.735 -0.526 0.729) 1.954 10.527 ( 0.571 -1.924 6.128) 6.448 10.840 ( 4.806 3.437 1.167) 6.023 10.930 ( 7.820 -3.383 0.308) 8.526 11.602 ( 2.466 4.637 3.732) 6.443 11.760 ( -7.462 -3.212 -2.299) 8.442 11.892 ( 2.040 1.611 0.304) 2.618 12.084 ( 7.390 -7.914 1.400) 10.918 12.724 ( -2.079 -0.522 0.611) 2.229 12.782 ( -1.360 -3.815 -0.217) 4.056 13.008 ( -2.532 4.914 -0.666) 5.568 13.148 ( 1.773 -1.242 -0.976) 2.375 13.441 ( -0.240 5.523 1.445) 5.713 13.500 ( -1.618 1.411 -4.099) 4.627 13.594 ( -3.252 -3.122 0.029) 4.508 13.632 ( -2.443 -4.009 1.101) 4.822 14.150 ( -21.113 -0.011 -10.148) 23.425 14.200 ( -7.260 -1.690 1.920) 7.697 14.323 ( -3.335 -1.426 1.731) 4.019 14.396 ( 5.442 -5.078 6.990) 10.211 14.722 ( 1.548 2.170 1.795) 3.214 14.808 ( 4.748 -2.221 5.438) 7.553 14.964 ( 8.109 3.208 -1.964) 8.939 15.082 ( 3.966 -3.132 -4.121) 6.521 15.452 ( 1.739 -0.496 0.587) 1.901 15.462 ( 1.007 2.797 2.019) 3.593 15.632 ( 0.349 0.845 -0.112) 0.921 15.661 ( -1.215 -1.515 2.124) 2.879 15.830 ( 4.623 2.741 -1.084) 5.483 15.918 ( 4.912 -1.935 -1.432) 5.470 16.149 ( 3.246 1.855 1.964) 4.223 16.264 ( 6.047 -2.847 0.259) 6.689 19.281 ( -3.738 3.563 -1.705) 5.438 19.381 ( 1.451 0.705 -0.293) 1.639 19.529 ( 3.600 -1.300 2.532) 4.589 19.546 ( -3.772 -2.128 -3.782) 5.750 24.897 ( 1.650 0.703 2.138) 2.790 24.939 ( 2.569 0.260 2.198) 3.391 24.950 ( 1.021 -0.766 0.432) 1.348 25.082 ( 5.135 -6.622 1.575) 8.526 26.265 ( 0.787 1.477 1.391) 2.176 26.326 ( -0.094 -1.394 -0.488) 1.480 26.595 ( -1.435 3.007 -2.034) 3.904 26.689 ( 0.199 -1.275 -3.106) 3.363 27.664 ( -1.129 1.337 -1.250) 2.150 27.683 ( 1.140 0.671 0.672) 1.484 27.786 ( -2.592 1.978 -0.169) 3.265 27.854 ( 0.176 -0.871 0.941) 1.294 27.895 ( -0.263 2.221 4.420) 4.954 27.998 ( 2.022 0.201 1.208) 2.364 28.031 ( -4.960 -2.474 2.159) 5.948 28.166 ( -2.426 -5.848 2.493) 6.805 28.254 ( 5.484 5.635 2.654) 8.299 28.442 ( -0.798 -4.152 5.378) 6.840 28.522 ( 2.230 0.196 -0.308) 2.260 28.633 ( 1.950 -4.034 -2.406) 5.085 28.827 ( 2.238 5.181 2.753) 6.279 28.977 ( -5.505 6.259 -1.563) 8.481 29.098 ( 0.994 -7.399 -1.383) 7.593 29.208 ( -0.025 -5.479 -1.269) 5.624 29.989 ( 3.147 2.320 9.561) 10.329 30.023 ( 5.818 0.903 6.032) 8.429 30.188 ( -10.255 11.278 -15.565) 21.786 30.415 ( -6.936 -3.102 -12.820) 14.902 ======================= Grid point 65 (33/72) ======================= q-point: ( 0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( 0.403 3.389 7.388) 8.139 2.250 ( 2.226 -0.359 5.077) 5.555 2.527 ( 0.393 9.520 3.929) 10.306 2.666 ( 9.965 8.944 5.502) 14.476 2.757 ( 12.794 -0.143 5.761) 14.032 2.819 ( 2.271 0.236 -8.063) 8.380 2.880 ( 0.906 -3.417 -5.736) 6.738 3.132 ( -1.539 -6.043 -3.452) 7.127 3.305 ( 0.779 7.387 -1.073) 7.505 3.347 ( -0.054 9.789 -12.139) 15.594 3.557 ( -4.861 0.108 3.349) 5.904 3.630 ( 4.008 3.305 0.065) 5.195 3.767 ( -9.952 2.297 -2.478) 10.510 3.890 ( -0.565 -1.890 5.224) 5.584 3.934 ( 2.856 -1.572 -0.600) 3.315 4.054 ( 2.180 -8.127 -5.548) 10.079 4.197 ( 4.924 -3.759 -8.892) 10.837 4.235 ( 11.122 -1.725 7.376) 13.457 4.332 ( -0.200 -5.725 5.582) 7.998 4.561 ( -4.966 -12.593 6.747) 15.125 4.609 ( -1.887 2.657 1.216) 3.478 4.627 ( 7.690 -0.065 0.539) 7.709 4.675 ( 11.540 1.799 -3.448) 12.178 4.756 ( 0.845 0.020 4.032) 4.120 4.880 ( 5.088 -2.340 -4.069) 6.923 4.993 ( 13.889 -7.080 5.478) 16.524 5.118 ( 2.971 2.480 1.753) 4.249 5.212 ( 3.675 1.598 1.058) 4.145 5.279 ( 4.619 -5.108 -0.809) 6.934 5.430 ( -2.084 -2.335 -1.566) 3.500 5.455 ( 8.704 4.432 -8.308) 12.822 5.549 ( -4.843 10.987 3.752) 12.580 5.667 ( 7.566 2.497 0.566) 7.987 5.762 ( 6.551 5.021 -3.629) 9.016 5.813 ( -2.920 7.311 4.083) 8.869 5.982 ( 6.343 -3.506 -2.927) 7.816 6.036 ( -0.570 6.031 -0.071) 6.058 6.191 ( 7.792 -5.054 8.448) 12.555 6.292 ( -0.063 0.731 0.885) 1.150 6.339 ( -0.694 7.464 -6.751) 10.088 6.364 ( 0.449 2.246 -0.658) 2.384 6.412 ( -2.670 3.781 -2.188) 5.119 6.468 ( 5.582 3.532 3.539) 7.494 6.612 ( 2.101 4.918 2.154) 5.765 6.664 ( -5.075 6.610 -0.787) 8.370 6.821 ( -4.462 -0.324 4.674) 6.470 6.902 ( -0.399 -4.339 -2.849) 5.206 6.941 ( -5.690 -1.305 -0.191) 5.840 7.067 ( 0.863 -1.922 -1.258) 2.454 7.072 ( 0.347 1.381 -0.229) 1.443 7.176 ( -2.059 -0.874 -4.161) 4.724 7.199 ( 0.667 -4.710 -2.477) 5.363 7.264 ( -4.219 -0.310 1.027) 4.354 7.394 ( -8.313 -5.968 1.177) 10.301 7.539 ( 0.320 1.097 -4.849) 4.982 7.669 ( -5.350 1.214 2.004) 5.841 7.713 ( -5.357 2.814 -1.720) 6.291 7.758 ( 0.419 -2.881 -4.137) 5.059 7.858 ( 0.265 -1.162 -2.126) 2.438 7.915 ( -6.126 -1.435 -8.734) 10.764 8.024 ( -0.623 -3.500 -2.078) 4.117 8.140 ( -4.076 -3.933 -2.218) 6.083 8.273 ( -5.399 4.855 6.910) 10.023 8.313 ( -4.356 2.697 3.528) 6.221 8.423 ( -3.025 2.194 0.803) 3.822 8.496 ( -2.044 -2.338 -3.559) 4.723 8.732 ( 7.890 -3.830 5.471) 10.337 8.823 ( -0.142 -4.081 1.869) 4.491 9.039 ( -0.888 -2.686 1.935) 3.427 9.231 ( -2.295 2.815 -5.065) 6.232 9.289 ( 3.557 -10.486 9.273) 14.443 9.512 ( 1.579 -5.118 -3.034) 6.155 9.549 ( -10.707 5.588 -2.073) 12.254 9.632 ( -2.138 1.776 1.146) 3.006 9.803 ( -0.634 4.601 2.906) 5.478 9.871 ( -2.734 2.289 -2.981) 4.647 9.939 ( 2.778 -1.074 0.261) 2.989 10.092 ( -4.275 -3.953 0.372) 5.835 10.282 ( -3.037 6.206 4.209) 8.090 10.486 ( -4.468 -3.548 7.228) 9.208 10.626 ( 8.786 0.550 1.314) 8.900 10.737 ( 12.152 -5.149 3.065) 13.549 10.909 ( 3.024 2.395 -0.584) 3.902 11.051 ( 6.907 -5.464 -2.817) 9.247 11.628 ( -0.718 2.375 -1.296) 2.799 11.681 ( 1.972 0.705 1.015) 2.327 11.915 ( -1.241 3.489 -0.585) 3.749 12.171 ( 0.996 -8.690 -1.492) 8.874 12.708 ( -0.698 -0.662 1.177) 1.520 12.771 ( -0.429 -5.209 2.432) 5.765 12.983 ( -1.110 5.481 0.444) 5.610 13.147 ( -4.503 -2.490 -1.964) 5.508 13.302 ( -15.665 -0.357 -10.267) 18.733 13.354 ( -3.053 -1.736 -6.203) 7.129 13.522 ( 0.860 2.605 -1.948) 3.364 13.596 ( -2.035 -1.265 -0.485) 2.445 13.774 ( -5.274 0.801 -0.978) 5.424 13.865 ( -8.806 -3.135 -3.845) 10.107 14.305 ( -7.773 2.442 0.061) 8.148 14.382 ( -5.433 -2.094 -0.192) 5.826 14.782 ( 0.923 5.308 0.260) 5.393 14.909 ( 2.192 -0.295 3.117) 3.822 15.144 ( 8.232 4.418 3.272) 9.900 15.265 ( 6.806 -2.655 3.728) 8.202 15.431 ( 0.236 0.166 -2.987) 3.001 15.544 ( 3.069 -4.449 0.361) 5.417 15.598 ( -1.920 4.218 2.818) 5.424 15.711 ( 0.404 0.686 2.369) 2.500 15.959 ( 7.745 -1.125 1.544) 7.977 15.991 ( 4.943 -2.308 -1.599) 5.684 16.213 ( 3.083 2.583 0.083) 4.023 16.324 ( 2.676 -0.246 -3.418) 4.348 19.187 ( -2.255 0.419 -2.018) 3.055 19.293 ( -5.081 -4.269 -3.127) 7.336 19.570 ( 4.369 3.031 2.401) 5.834 19.668 ( 3.483 -1.592 3.695) 5.321 24.940 ( 1.361 0.419 0.536) 1.521 24.957 ( 0.631 -0.679 -1.081) 1.424 25.008 ( 2.958 1.198 -0.086) 3.193 25.153 ( 2.402 -6.427 -1.338) 6.991 26.295 ( 1.048 0.200 0.790) 1.328 26.320 ( -0.072 -0.742 -0.225) 0.779 26.570 ( -0.361 3.450 0.828) 3.566 26.677 ( 0.734 -1.541 -0.867) 1.915 27.613 ( -1.259 2.490 -2.159) 3.528 27.676 ( -0.348 -0.270 -1.256) 1.331 27.746 ( -2.573 3.508 1.599) 4.635 27.867 ( -2.064 -1.860 2.863) 3.989 27.898 ( -2.814 2.973 2.303) 4.697 28.000 ( 0.028 -1.521 0.518) 1.607 28.014 ( -0.046 2.094 -0.349) 2.124 28.152 ( -1.693 -4.563 2.232) 5.354 28.384 ( 4.178 3.040 1.433) 5.362 28.432 ( -1.648 -0.527 0.971) 1.984 28.587 ( 3.755 -2.048 -0.217) 4.283 28.656 ( 1.508 -5.026 -1.232) 5.390 28.882 ( -4.425 8.219 1.192) 9.410 28.896 ( 2.193 3.838 1.370) 4.628 29.112 ( 2.260 -6.713 -1.326) 7.207 29.223 ( 1.808 -7.913 -0.516) 8.134 29.782 ( -7.593 10.632 -8.637) 15.662 30.029 ( -7.110 -2.966 -3.921) 8.645 30.220 ( 0.943 3.538 4.864) 6.088 30.322 ( 5.373 -1.955 2.779) 6.357 ======================= Grid point 66 (34/72) ======================= q-point: (-0.57 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -0.979 -2.739 -2.428) 3.789 2.264 ( 2.476 -5.177 -3.188) 6.565 2.593 ( -2.049 6.322 -0.892) 6.706 2.716 ( 1.179 7.709 1.716) 7.986 2.845 ( -8.796 4.472 3.761) 10.560 2.962 ( 7.961 2.869 5.926) 10.331 3.043 ( 11.959 -3.147 6.002) 13.746 3.109 ( 0.410 -5.628 0.260) 5.649 3.258 ( -1.715 7.830 -1.965) 8.254 3.363 ( -2.870 2.111 5.080) 6.204 3.498 ( 4.198 12.331 -2.141) 13.201 3.558 ( -2.098 3.001 -5.878) 6.925 3.609 ( -3.576 -1.218 -1.663) 4.127 3.868 ( 0.670 -6.453 -5.636) 8.593 4.034 ( 2.445 -2.095 -3.732) 4.928 4.086 ( 6.088 -13.754 1.105) 15.082 4.163 ( 0.485 -3.983 -2.199) 4.575 4.325 ( -3.238 -4.593 0.253) 5.626 4.445 ( 7.198 -11.906 0.686) 13.929 4.474 ( -1.889 -3.602 0.690) 4.125 4.562 ( -7.042 2.786 9.752) 12.347 4.732 ( -0.352 1.632 -2.015) 2.617 4.849 ( 9.698 1.837 2.807) 10.262 4.896 ( 7.489 0.968 4.174) 8.629 5.050 ( 9.042 -1.248 1.346) 9.227 5.135 ( -3.308 -5.095 -0.734) 6.119 5.230 ( -3.418 -0.826 2.113) 4.103 5.281 ( -5.619 -0.889 1.464) 5.874 5.389 ( 4.669 -4.710 6.014) 8.953 5.409 ( 5.960 -0.598 -3.517) 6.946 5.488 ( 3.946 3.267 -1.866) 5.452 5.564 ( 5.232 -0.149 -4.784) 7.090 5.729 ( -8.667 3.253 -1.510) 9.380 5.822 ( 5.768 2.989 -6.224) 8.997 5.901 ( 6.389 7.514 3.836) 10.583 5.938 ( -6.004 5.782 -1.985) 8.568 6.100 ( -1.819 6.521 -1.394) 6.911 6.111 ( 2.939 3.128 -6.074) 7.437 6.213 ( -3.768 4.016 -3.426) 6.486 6.314 ( -4.867 0.902 -1.646) 5.216 6.368 ( 5.554 6.861 -0.650) 8.851 6.456 ( 3.091 9.449 -1.638) 10.076 6.556 ( 2.908 4.205 -2.942) 5.899 6.592 ( 1.451 1.969 0.511) 2.499 6.676 ( -6.831 6.196 3.736) 9.951 6.718 ( -2.165 7.590 3.271) 8.544 6.810 ( -0.756 -5.324 -5.190) 7.473 6.916 ( -2.410 -1.511 2.508) 3.792 6.960 ( 1.088 3.502 -0.444) 3.693 7.079 ( -2.536 0.585 1.045) 2.805 7.146 ( 1.409 -5.113 1.385) 5.482 7.218 ( -2.578 -4.683 4.702) 7.119 7.295 ( 2.777 -1.119 4.599) 5.488 7.356 ( -1.463 -6.068 5.874) 8.571 7.549 ( 1.533 1.217 -2.249) 2.981 7.598 ( -2.235 4.161 -4.746) 6.696 7.612 ( 2.401 1.892 1.393) 3.359 7.726 ( 0.934 -3.830 -8.017) 8.934 7.822 ( 4.914 -2.211 -4.673) 7.132 7.860 ( 1.746 -3.587 -1.660) 4.321 7.976 ( -1.117 0.893 -0.766) 1.623 8.085 ( -1.781 -3.671 1.661) 4.406 8.254 ( -3.053 4.107 4.022) 6.509 8.278 ( -5.576 1.362 7.300) 9.287 8.361 ( -2.325 1.937 0.944) 3.170 8.480 ( 1.049 -0.324 -1.130) 1.575 8.867 ( 1.844 -2.351 -0.159) 2.992 8.893 ( -0.378 -4.321 2.458) 4.986 8.982 ( -4.512 -5.338 -0.426) 7.003 9.151 ( 0.074 3.942 -4.603) 6.061 9.381 ( -5.338 -5.663 4.177) 8.832 9.415 ( -2.114 -5.769 0.594) 6.173 9.477 ( 2.534 -1.244 0.482) 2.864 9.584 ( 1.443 -4.953 -0.617) 5.196 9.769 ( -2.579 6.028 2.652) 7.072 9.896 ( 0.757 3.057 1.789) 3.622 10.009 ( -0.165 -4.684 -0.263) 4.694 10.087 ( -0.268 -4.092 3.572) 5.438 10.242 ( -4.030 4.299 0.073) 5.893 10.386 ( -8.125 -3.115 -1.019) 8.761 10.737 ( 3.147 1.038 -1.460) 3.621 10.841 ( 0.173 -2.213 -1.691) 2.791 11.002 ( 3.803 -0.416 -0.768) 3.902 11.096 ( 2.503 -5.961 -6.186) 8.948 11.651 ( 1.698 5.143 0.035) 5.416 11.773 ( 3.684 5.664 0.841) 6.809 11.824 ( -3.662 -1.530 -0.143) 3.971 12.123 ( -1.149 -10.516 -2.414) 10.851 12.715 ( -0.338 -0.767 -0.000) 0.838 12.748 ( -3.034 -3.109 -0.052) 4.345 12.953 ( 0.278 1.991 -1.213) 2.348 13.009 ( -0.203 -1.875 -0.892) 2.086 13.157 ( 4.646 0.096 1.748) 4.965 13.343 ( 1.923 -5.363 0.645) 5.734 13.541 ( 1.968 2.163 1.319) 3.208 13.584 ( 3.947 0.025 0.602) 3.992 13.733 ( -2.299 2.152 0.275) 3.161 13.785 ( -4.691 0.209 1.173) 4.840 14.173 ( -3.418 3.255 -0.703) 4.772 14.295 ( -2.672 -3.369 -1.090) 4.436 14.790 ( 1.208 5.645 -0.761) 5.823 14.937 ( -0.810 -0.794 0.713) 1.340 15.269 ( -0.851 6.687 1.006) 6.815 15.311 ( 2.615 -0.378 -1.732) 3.159 15.377 ( -2.725 -0.776 -4.556) 5.365 15.568 ( -1.578 -7.029 -2.569) 7.648 15.627 ( 1.125 5.726 4.872) 7.603 15.729 ( -0.360 2.591 2.269) 3.463 16.024 ( 1.613 -1.965 -1.452) 2.927 16.075 ( 1.897 -5.671 -0.279) 5.986 16.269 ( 1.663 4.080 -0.609) 4.448 16.347 ( 3.564 1.161 -0.058) 3.749 19.170 ( 0.823 -0.351 1.339) 1.611 19.237 ( 0.483 -4.295 0.779) 4.392 19.618 ( -0.490 2.646 -1.026) 2.880 19.703 ( -1.471 -1.220 -0.664) 2.023 24.941 ( -0.095 0.469 -2.088) 2.142 24.963 ( 0.882 -0.703 -1.139) 1.603 25.034 ( 0.874 0.864 -1.947) 2.302 25.147 ( 0.059 -4.676 -3.852) 6.059 26.312 ( -0.083 -0.089 0.159) 0.200 26.324 ( 0.684 -0.388 0.720) 1.066 26.595 ( 0.190 2.961 3.771) 4.799 26.694 ( 0.902 -1.454 1.034) 1.999 27.601 ( 1.238 3.065 0.046) 3.306 27.679 ( 0.820 -0.172 0.789) 1.151 27.724 ( -1.314 3.034 1.926) 3.826 27.828 ( -3.182 -1.827 1.744) 4.063 27.886 ( -1.488 2.795 1.450) 3.482 27.977 ( -0.777 0.249 -1.924) 2.090 28.047 ( 1.492 2.242 2.654) 3.781 28.149 ( -1.515 -3.126 2.470) 4.262 28.372 ( -1.112 1.456 -2.985) 3.502 28.453 ( -0.188 -1.171 -0.526) 1.297 28.607 ( -0.346 -0.778 -2.795) 2.922 28.679 ( 3.068 -2.926 -0.623) 4.285 28.829 ( -3.107 8.890 0.970) 9.468 28.919 ( -0.111 1.811 -0.257) 1.832 29.122 ( 1.236 -8.269 -4.722) 9.603 29.223 ( -0.331 -8.498 -2.625) 8.901 29.719 ( 3.270 7.453 2.051) 8.393 29.902 ( -0.051 -1.768 -1.199) 2.137 30.265 ( -1.735 4.542 4.082) 6.348 30.407 ( -0.146 -2.669 2.539) 3.687 ======================= Grid point 67 (35/72) ======================= q-point: (-0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -2.827 7.238 -3.542) 8.540 2.321 ( 5.561 -2.810 -5.436) 8.269 2.503 ( -10.206 0.691 12.090) 15.837 2.641 ( -16.040 13.575 4.968) 21.593 2.698 ( -8.417 7.560 -1.947) 11.480 2.948 ( -6.674 -6.487 -6.610) 11.415 3.165 ( -3.649 -11.782 0.064) 12.334 3.186 ( 2.864 -3.479 3.869) 5.939 3.321 ( 4.809 1.622 -1.257) 5.228 3.331 ( 3.761 -3.828 2.443) 5.896 3.479 ( 2.415 -0.517 -0.387) 2.499 3.653 ( 5.384 6.034 -2.870) 8.581 3.701 ( 6.628 3.994 2.375) 8.095 3.873 ( 5.201 -2.582 1.762) 6.068 3.971 ( -0.039 -7.087 -0.752) 7.126 4.136 ( 5.569 5.283 -4.597) 8.948 4.215 ( -5.969 -0.869 -3.081) 6.774 4.261 ( -0.080 -2.210 -2.145) 3.081 4.468 ( 0.361 -0.911 1.640) 1.910 4.503 ( -0.811 -6.800 -1.130) 6.941 4.601 ( -0.122 -0.223 8.343) 8.347 4.684 ( -7.488 1.776 5.488) 9.452 4.892 ( -11.547 4.400 1.286) 12.423 4.924 ( -12.362 0.848 -6.943) 14.204 5.006 ( -0.804 -3.295 1.920) 3.897 5.123 ( -4.021 -4.945 1.434) 6.533 5.169 ( 0.827 -3.765 5.824) 6.984 5.248 ( 0.814 -2.249 3.848) 4.531 5.357 ( -3.965 5.321 -0.981) 6.708 5.385 ( -6.409 1.447 3.966) 7.675 5.516 ( -2.736 1.582 -3.031) 4.379 5.549 ( 5.165 0.509 -1.822) 5.501 5.627 ( 0.073 -5.399 -0.412) 5.415 5.807 ( -3.331 10.521 -5.378) 12.276 5.883 ( 0.522 -3.673 -6.578) 7.552 5.941 ( -4.091 3.959 -2.055) 6.053 5.959 ( 3.308 2.469 -5.726) 7.059 6.124 ( -2.504 4.659 -3.179) 6.172 6.186 ( -2.510 -2.426 -3.764) 5.134 6.244 ( 5.019 4.258 0.929) 6.647 6.365 ( -4.809 6.833 -1.520) 8.493 6.429 ( -3.069 0.112 -2.522) 3.974 6.561 ( -1.320 6.391 -0.678) 6.561 6.629 ( 3.080 2.496 -0.397) 3.984 6.728 ( 3.307 -0.508 5.029) 6.040 6.775 ( 4.991 9.783 1.313) 11.061 6.810 ( 3.665 3.029 0.612) 4.794 6.900 ( -1.010 0.313 4.476) 4.599 7.036 ( -2.393 -2.719 1.528) 3.931 7.131 ( 5.757 -1.399 -1.902) 6.222 7.196 ( 3.949 -8.080 -2.881) 9.443 7.233 ( 0.146 -2.751 4.735) 5.478 7.318 ( -1.154 -1.504 4.239) 4.644 7.432 ( 2.076 -2.558 3.113) 4.533 7.519 ( -0.153 6.763 1.149) 6.861 7.639 ( 7.495 4.032 3.781) 9.312 7.672 ( 0.845 -2.521 -5.326) 5.953 7.706 ( 3.978 -1.639 -3.596) 5.608 7.828 ( 2.435 0.425 -8.326) 8.685 7.864 ( 4.127 3.987 -8.077) 9.909 8.067 ( 6.195 -0.342 5.075) 8.015 8.095 ( -2.389 1.790 6.773) 7.402 8.257 ( -0.265 -1.584 4.825) 5.085 8.312 ( 2.248 -1.284 6.529) 7.023 8.413 ( 4.377 1.935 7.162) 8.613 8.477 ( 1.300 -0.069 -2.990) 3.261 8.762 ( -5.952 -3.816 -7.553) 10.346 8.808 ( -9.021 -3.819 -2.777) 10.183 8.969 ( 4.027 0.463 4.428) 6.004 9.089 ( -2.358 -1.766 -1.754) 3.428 9.366 ( -0.763 -3.311 4.199) 5.401 9.464 ( 5.816 2.899 1.508) 6.671 9.557 ( -3.684 -0.262 -4.396) 5.741 9.607 ( 3.426 -2.565 2.296) 4.857 9.781 ( 2.604 -8.591 0.957) 9.028 9.913 ( -2.644 -7.777 -6.275) 10.337 9.954 ( 4.673 5.621 6.610) 9.854 10.155 ( -4.410 3.877 -0.758) 5.921 10.185 ( 5.084 -3.620 7.001) 9.379 10.249 ( -3.456 -1.352 -2.516) 4.484 10.694 ( -5.550 2.013 -2.511) 6.416 10.796 ( -4.833 -2.609 -2.176) 5.908 10.917 ( -4.558 0.992 -3.829) 6.034 11.047 ( -0.615 -5.973 -8.217) 10.177 11.658 ( 0.179 3.605 0.742) 3.684 11.705 ( -3.339 3.790 -0.743) 5.105 11.903 ( 1.862 -1.129 1.913) 2.898 12.132 ( 2.663 -9.814 -2.604) 10.497 12.707 ( -0.186 -0.518 0.367) 0.661 12.738 ( -0.184 -2.773 1.053) 2.972 12.962 ( 1.699 3.118 0.587) 3.599 13.080 ( 3.998 -3.176 -0.101) 5.107 13.290 ( 4.996 0.241 -0.318) 5.012 13.390 ( 4.374 -2.789 -2.608) 5.806 13.638 ( -4.085 3.219 1.005) 5.297 13.663 ( -1.952 1.193 3.148) 3.892 13.770 ( 11.189 1.134 9.374) 14.641 13.830 ( 14.071 -1.769 7.447) 16.018 14.134 ( -1.005 2.344 -4.775) 5.414 14.223 ( -1.892 -2.622 -7.057) 7.762 14.832 ( 1.267 3.235 3.350) 4.826 14.917 ( -2.689 -0.621 1.700) 3.242 15.195 ( -3.948 4.099 -0.278) 5.698 15.244 ( -4.735 -1.246 -5.335) 7.241 15.332 ( -0.618 2.000 -3.474) 4.056 15.452 ( -2.686 -4.666 -6.862) 8.722 15.695 ( -0.076 3.634 3.111) 4.784 15.743 ( -0.411 2.496 3.576) 4.380 16.011 ( -1.760 -1.190 -0.442) 2.170 16.069 ( -1.721 -4.875 -0.483) 5.192 16.263 ( -1.960 3.752 0.717) 4.293 16.387 ( -0.396 -1.397 -1.179) 1.871 19.231 ( 2.360 -0.326 3.217) 4.003 19.312 ( 4.417 -3.761 2.887) 6.480 19.556 ( -2.295 2.317 -2.157) 3.910 19.616 ( -4.499 -0.320 -3.855) 5.933 24.908 ( -0.994 1.122 -2.120) 2.597 24.948 ( -0.651 -1.269 -2.645) 3.005 25.007 ( -1.414 0.171 -1.634) 2.168 25.085 ( -1.299 -3.208 -5.221) 6.264 26.304 ( -1.207 0.934 0.718) 1.687 26.348 ( 0.740 -1.064 0.859) 1.555 26.641 ( -0.019 2.261 4.268) 4.830 26.726 ( 0.827 -1.188 1.655) 2.199 27.647 ( 2.216 2.892 1.561) 3.964 27.680 ( -0.938 2.643 -0.353) 2.826 27.769 ( 1.335 0.593 4.730) 4.950 27.810 ( -0.646 -0.725 1.625) 1.893 27.866 ( -1.262 1.105 0.377) 1.720 27.945 ( -0.915 -0.794 -1.946) 2.292 28.109 ( 1.025 2.217 3.668) 4.406 28.141 ( -1.598 -1.811 1.735) 2.974 28.304 ( -2.123 0.667 -5.637) 6.060 28.379 ( -4.972 -3.180 -1.003) 5.987 28.608 ( 4.646 5.193 -3.344) 7.729 28.696 ( -1.048 0.215 -1.735) 2.038 28.806 ( 0.648 4.984 0.623) 5.065 28.892 ( -3.234 -1.464 1.345) 3.796 29.088 ( 1.243 -9.161 -4.677) 10.360 29.169 ( -0.625 -9.426 -3.828) 10.193 29.846 ( 4.315 8.481 2.989) 9.974 29.968 ( 3.725 1.443 -0.808) 4.075 30.276 ( 0.120 3.527 5.957) 6.924 30.413 ( 0.926 -3.451 2.205) 4.198 ======================= Grid point 68 (36/72) ======================= q-point: (-0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( -14.385 24.208 -0.096) 28.160 2.145 ( -29.098 18.470 -14.321) 37.322 2.295 ( -7.477 0.432 1.246) 7.592 2.453 ( -17.371 11.776 1.924) 21.074 2.543 ( -5.670 0.743 14.599) 15.679 2.843 ( 3.146 -18.573 -7.406) 20.241 3.035 ( -8.854 -17.039 -1.898) 19.295 3.129 ( -11.911 -7.251 -4.364) 14.611 3.260 ( -6.177 3.554 1.198) 7.226 3.500 ( -2.325 8.182 2.120) 8.766 3.542 ( 7.922 -6.182 5.865) 11.635 3.640 ( 3.981 1.945 0.148) 4.434 3.752 ( 4.352 2.817 -7.950) 9.491 3.951 ( -5.801 -1.447 -4.626) 7.560 4.056 ( 6.801 2.936 5.549) 9.255 4.120 ( 1.638 -1.589 -3.239) 3.962 4.186 ( 1.961 2.564 -2.855) 4.310 4.238 ( 5.332 -0.902 -6.572) 8.510 4.412 ( -5.210 -0.237 1.211) 5.355 4.473 ( -7.169 -9.648 3.963) 12.656 4.625 ( -3.434 7.363 4.256) 9.171 4.663 ( -4.576 2.743 3.959) 6.644 4.712 ( -3.513 9.237 4.272) 10.767 4.750 ( 4.159 -2.215 2.061) 5.144 5.002 ( -4.919 1.973 0.327) 5.310 5.034 ( -5.686 -6.018 4.058) 9.220 5.169 ( -2.554 -7.819 -0.199) 8.228 5.285 ( 0.895 4.734 3.182) 5.774 5.294 ( -6.013 -4.119 4.436) 8.532 5.398 ( -6.871 4.334 -1.958) 8.356 5.495 ( 1.667 -3.858 -1.159) 4.360 5.563 ( -5.735 7.590 -3.553) 10.155 5.606 ( 0.383 3.775 1.382) 4.038 5.694 ( -1.199 3.392 -3.792) 5.227 5.792 ( -6.919 -7.413 4.888) 11.257 5.857 ( -1.093 -1.921 -5.522) 5.948 5.948 ( 2.012 -8.379 -3.623) 9.348 6.031 ( -1.810 -2.893 -4.782) 5.875 6.091 ( -0.214 4.338 -2.755) 5.143 6.286 ( -2.378 -0.729 -2.659) 3.641 6.336 ( 1.880 9.506 2.768) 10.077 6.406 ( -3.640 4.114 2.507) 6.038 6.512 ( 2.870 4.753 -0.203) 5.556 6.676 ( 1.987 -2.988 0.999) 3.725 6.798 ( -4.313 2.488 1.911) 5.333 6.808 ( 0.010 3.489 1.667) 3.867 6.884 ( 6.094 1.641 -4.024) 7.484 6.941 ( 1.932 -2.029 -0.068) 2.803 7.050 ( 2.344 -1.769 0.744) 3.029 7.138 ( 0.854 6.289 1.278) 6.474 7.209 ( 0.987 -4.831 -2.606) 5.577 7.293 ( 0.811 -4.657 3.723) 6.017 7.364 ( 0.689 0.864 0.213) 1.125 7.443 ( 1.909 -2.805 0.924) 3.516 7.575 ( 1.923 -1.144 -2.071) 3.049 7.658 ( -0.294 -8.439 -5.450) 10.050 7.709 ( 1.657 1.008 -0.755) 2.081 7.785 ( 4.286 -0.962 0.211) 4.398 7.806 ( 6.610 8.780 -12.836) 16.898 7.948 ( 9.686 4.725 3.454) 11.316 8.060 ( -5.463 4.489 4.231) 8.240 8.201 ( 4.325 -1.770 -0.449) 4.695 8.306 ( -0.881 -4.183 1.167) 4.431 8.385 ( -1.943 -5.472 4.114) 7.116 8.458 ( -0.051 0.910 -4.280) 4.376 8.550 ( 1.920 -1.166 -10.769) 11.000 8.691 ( 4.748 2.928 11.075) 12.401 8.760 ( 5.368 1.381 5.830) 8.045 9.069 ( 2.627 2.989 2.253) 4.573 9.169 ( 6.789 -2.360 5.144) 8.839 9.303 ( -5.979 0.773 -3.820) 7.137 9.484 ( 1.948 1.125 -0.579) 2.323 9.592 ( 0.209 -1.955 0.794) 2.121 9.615 ( 1.071 -4.564 1.387) 4.889 9.842 ( 6.262 -9.213 -1.632) 11.258 9.913 ( 6.090 -7.015 2.992) 9.759 10.050 ( -3.935 3.800 -5.280) 7.603 10.171 ( -0.228 0.668 -0.267) 0.755 10.264 ( 9.901 3.296 9.346) 14.009 10.372 ( 7.544 -1.091 2.063) 7.897 10.604 ( -2.104 2.123 5.200) 5.998 10.658 ( -4.402 0.768 6.512) 7.897 10.845 ( -3.356 1.639 -2.018) 4.245 10.899 ( -5.466 -3.827 -9.011) 11.213 11.647 ( -3.158 6.673 0.784) 7.424 11.701 ( 3.095 0.797 1.408) 3.492 11.894 ( -1.955 -2.586 -0.772) 3.333 12.096 ( -3.158 -8.547 -3.569) 9.786 12.710 ( 1.002 -1.556 1.396) 2.318 12.743 ( 0.973 -3.530 -0.785) 3.744 13.010 ( 1.261 3.617 0.406) 3.852 13.134 ( 2.489 -1.737 0.177) 3.040 13.300 ( 1.364 2.737 -5.793) 6.551 13.428 ( 2.962 -3.882 -7.110) 8.626 13.622 ( 0.770 2.044 3.289) 3.948 13.681 ( -0.107 -0.185 2.323) 2.333 13.891 ( -7.155 1.154 -12.472) 14.425 13.963 ( -5.209 -2.630 -9.961) 11.545 14.216 ( 10.911 0.371 2.598) 11.222 14.254 ( 13.475 -2.143 5.594) 14.747 14.797 ( -4.639 2.078 1.165) 5.215 14.906 ( -3.150 -2.384 4.801) 6.217 15.150 ( 0.003 1.064 0.479) 1.167 15.198 ( 0.186 4.027 3.556) 5.376 15.259 ( -0.545 2.208 0.134) 2.279 15.393 ( 1.578 -5.955 -5.307) 8.132 15.687 ( -2.278 3.877 2.210) 5.011 15.793 ( 0.992 1.629 2.985) 3.543 15.939 ( -6.235 -2.108 -0.733) 6.622 16.002 ( -4.701 -3.795 -0.527) 6.065 16.206 ( -5.356 2.098 0.852) 5.814 16.290 ( -6.705 -2.086 -4.471) 8.325 19.279 ( -0.053 2.274 -0.521) 2.333 19.354 ( -0.316 -1.169 -2.577) 2.847 19.525 ( -0.688 2.284 0.142) 2.390 19.612 ( 6.070 -2.250 5.039) 8.204 24.866 ( -1.742 1.109 -1.075) 2.328 24.885 ( -2.432 -0.858 -3.244) 4.144 24.954 ( -2.739 -0.286 -1.473) 3.123 25.012 ( -1.777 -2.022 -2.358) 3.578 26.285 ( -1.822 1.858 1.015) 2.793 26.361 ( -0.191 -1.887 0.350) 1.928 26.675 ( -0.247 2.115 2.600) 3.361 26.753 ( 0.810 -1.011 0.550) 1.407 27.630 ( -2.794 3.691 -2.724) 5.371 27.694 ( 0.560 0.977 1.226) 1.664 27.805 ( -0.878 1.356 1.717) 2.357 27.844 ( 1.095 0.222 3.220) 3.408 27.866 ( -1.936 -0.627 -0.502) 2.096 27.898 ( -0.179 -2.215 0.124) 2.226 28.090 ( -2.820 2.965 0.747) 4.159 28.181 ( 1.083 -1.723 2.371) 3.125 28.210 ( -1.581 0.700 -1.836) 2.522 28.308 ( -3.147 -4.190 0.718) 5.289 28.612 ( -0.771 4.415 -4.868) 6.618 28.696 ( 1.206 3.998 2.312) 4.773 28.809 ( -2.891 -5.163 0.324) 5.927 28.898 ( 4.930 3.060 2.578) 6.350 29.072 ( 1.373 -8.107 -3.646) 8.994 29.166 ( 3.275 -6.064 -1.142) 6.986 29.836 ( -4.065 5.730 -3.170) 7.707 29.911 ( -4.614 1.979 -5.986) 7.813 30.481 ( 11.636 3.089 9.481) 15.324 30.542 ( 8.462 -1.521 2.707) 9.013 ======================= Grid point 69 (37/72) ======================= q-point: (-0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -20.116 26.536 -2.834) 33.419 1.700 ( -14.370 28.884 11.895) 34.384 2.076 ( -13.476 1.525 2.832) 13.855 2.178 ( -15.813 5.347 9.206) 19.063 2.610 ( -3.480 14.374 12.702) 19.495 2.697 ( -7.928 -10.027 -3.823) 13.342 2.836 ( -9.563 1.394 0.776) 9.695 2.991 ( -9.668 -0.474 -1.002) 9.731 3.080 ( 3.333 -12.096 -0.071) 12.547 3.561 ( 0.076 8.219 -7.483) 11.115 3.732 ( 7.252 -0.531 2.959) 7.851 3.767 ( 4.318 -5.282 1.892) 7.080 3.811 ( 3.398 -4.391 -2.316) 6.015 3.847 ( 4.737 0.822 -0.105) 4.809 3.963 ( -0.266 0.255 -8.573) 8.581 4.118 ( -2.688 0.287 0.200) 2.711 4.142 ( -4.396 -3.392 -2.437) 6.064 4.237 ( -0.768 1.159 -3.541) 3.804 4.397 ( -0.071 1.862 -1.009) 2.119 4.467 ( -2.350 -7.775 4.355) 9.217 4.546 ( -3.312 8.523 2.251) 9.417 4.687 ( -1.089 -0.964 2.628) 3.003 4.797 ( 7.539 3.336 -5.272) 9.786 4.848 ( -5.910 1.426 -1.131) 6.184 4.916 ( 0.748 -4.816 0.806) 4.940 4.952 ( -0.615 1.940 -0.507) 2.097 5.088 ( -2.223 -0.954 -1.405) 2.798 5.226 ( -4.637 -0.035 0.010) 4.637 5.273 ( -6.453 4.795 6.720) 10.478 5.328 ( -7.124 0.976 -2.399) 7.580 5.364 ( -0.841 2.357 7.463) 7.871 5.452 ( -4.696 -1.545 -2.646) 5.607 5.539 ( -3.181 1.289 -5.823) 6.760 5.647 ( -2.909 -1.360 -1.604) 3.590 5.692 ( -6.199 -6.770 3.961) 9.998 5.856 ( 4.980 -1.394 0.095) 5.172 5.930 ( 0.053 -9.414 -4.466) 10.420 5.979 ( -3.152 -2.795 -0.233) 4.219 6.160 ( 2.897 3.942 -0.919) 4.978 6.216 ( -1.750 -0.660 -1.058) 2.149 6.387 ( 3.340 2.018 4.021) 5.603 6.450 ( 2.518 11.445 3.450) 12.216 6.525 ( -0.850 1.213 0.955) 1.762 6.692 ( -5.074 0.620 -0.428) 5.130 6.755 ( -2.072 0.103 0.816) 2.229 6.837 ( 6.505 0.713 0.185) 6.547 6.932 ( 3.371 -0.547 -2.943) 4.509 7.015 ( 6.061 -3.744 1.306) 7.243 7.093 ( -1.506 1.854 -2.614) 3.541 7.178 ( 5.338 4.326 0.176) 6.873 7.227 ( 0.545 0.399 1.578) 1.717 7.297 ( -4.089 -5.641 2.704) 7.474 7.373 ( -0.944 2.528 1.919) 3.312 7.487 ( -6.015 -8.505 -3.469) 10.980 7.532 ( 4.329 -6.388 -2.743) 8.190 7.597 ( 5.439 -3.507 -2.883) 7.085 7.681 ( -1.902 6.064 -2.903) 6.987 7.841 ( 6.694 3.665 -5.962) 9.685 7.882 ( 4.830 -0.635 1.165) 5.009 7.998 ( -2.770 -0.768 0.421) 2.905 8.147 ( 4.394 2.916 4.057) 6.654 8.237 ( 0.184 -0.640 -4.308) 4.359 8.272 ( 2.295 -2.217 -0.041) 3.192 8.365 ( -1.897 -5.498 2.780) 6.446 8.409 ( 1.290 2.385 -6.088) 6.665 8.568 ( 5.576 -3.844 -5.148) 8.507 8.821 ( 0.545 4.557 4.866) 6.689 8.948 ( 0.975 -3.598 4.671) 5.976 9.124 ( 1.456 3.621 -1.760) 4.281 9.213 ( 4.971 4.644 0.980) 6.873 9.261 ( -0.037 -2.750 0.849) 2.878 9.405 ( -5.325 -2.438 -4.993) 7.696 9.613 ( 3.526 0.550 1.550) 3.891 9.778 ( 6.168 -7.191 4.059) 10.306 9.822 ( -6.510 -0.564 -5.720) 8.684 9.939 ( -2.746 -3.675 -1.523) 4.834 10.099 ( -0.326 -0.210 3.627) 3.648 10.180 ( 9.252 -2.739 3.737) 10.347 10.473 ( 5.145 6.716 0.031) 8.460 10.541 ( 7.965 0.426 6.011) 9.988 10.626 ( -4.740 -0.618 -0.555) 4.812 10.689 ( -5.191 -0.072 -4.909) 7.145 10.761 ( -3.716 1.819 1.710) 4.477 10.850 ( 7.048 -1.856 3.842) 8.239 11.582 ( -3.444 8.943 -0.959) 9.631 11.800 ( 3.826 1.267 1.162) 4.194 11.878 ( 0.966 -3.073 -3.363) 4.657 12.045 ( 0.594 -8.295 6.561) 10.593 12.795 ( 8.659 -0.344 5.204) 10.108 12.845 ( 6.327 -2.672 4.465) 8.192 13.028 ( 2.785 2.544 0.890) 3.875 13.123 ( -4.841 -3.075 -10.920) 12.335 13.178 ( -4.547 0.620 -7.170) 8.513 13.253 ( -7.524 -2.085 -7.659) 10.937 13.612 ( -0.880 1.580 -4.151) 4.528 13.659 ( 0.711 -0.594 0.474) 1.041 13.730 ( -2.065 1.444 -0.071) 2.521 13.792 ( -4.657 -0.911 1.944) 5.128 14.348 ( 3.995 1.587 -0.470) 4.325 14.402 ( 2.363 -1.893 0.183) 3.033 14.850 ( 4.427 3.246 1.277) 5.636 14.919 ( -0.234 -2.297 3.121) 3.882 15.158 ( -1.926 2.991 0.581) 3.605 15.253 ( -1.235 2.951 -0.191) 3.204 15.321 ( 6.037 1.845 3.919) 7.430 15.410 ( 1.807 -5.769 1.660) 6.269 15.673 ( -2.018 2.265 1.597) 3.428 15.764 ( -8.151 -1.389 -3.390) 8.936 15.828 ( -0.920 -1.020 1.838) 2.295 15.908 ( -5.094 -3.285 0.727) 6.105 16.096 ( -6.005 2.239 -0.646) 6.441 16.121 ( -4.976 0.072 -1.155) 5.108 19.257 ( 0.811 2.189 -3.014) 3.813 19.302 ( -0.370 -0.764 -1.952) 2.129 19.583 ( 1.761 4.682 2.011) 5.391 19.750 ( 3.099 -3.381 1.522) 4.832 24.818 ( -1.474 0.459 0.379) 1.589 24.835 ( -1.316 -0.193 0.540) 1.436 24.901 ( -1.493 1.589 0.141) 2.185 24.977 ( -1.464 -2.007 0.964) 2.665 26.262 ( -1.646 2.266 0.927) 2.951 26.350 ( -0.890 -2.179 -0.212) 2.364 26.682 ( -0.655 2.212 0.058) 2.308 26.760 ( 0.645 -1.105 -2.275) 2.610 27.551 ( -1.906 3.978 -0.693) 4.465 27.679 ( -1.612 -2.299 -0.946) 2.963 27.800 ( 0.281 1.574 0.378) 1.643 27.836 ( -0.763 1.570 2.373) 2.946 27.891 ( -0.015 0.499 2.964) 3.006 27.910 ( -1.404 0.205 1.955) 2.415 28.079 ( 0.169 2.683 1.408) 3.035 28.165 ( -1.087 -3.362 -0.127) 3.536 28.239 ( -2.831 -2.411 5.666) 6.777 28.275 ( 0.978 -2.636 -0.087) 2.813 28.558 ( -1.442 3.195 -1.028) 3.653 28.698 ( -2.292 2.880 0.417) 3.704 28.767 ( -1.974 -3.301 1.706) 4.208 29.053 ( 4.219 -8.911 -3.261) 10.384 29.082 ( 6.028 4.664 2.151) 7.919 29.219 ( 2.074 -2.720 -1.103) 3.594 29.728 ( -2.959 3.037 -1.453) 4.482 29.779 ( -2.407 1.323 -2.209) 3.525 30.680 ( 5.306 0.695 -3.265) 6.269 30.741 ( 8.182 -1.217 -2.687) 8.697 ======================= Grid point 70 (38/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 1.797 -12.671 17.368) 21.574 1.899 ( 1.797 12.671 17.368) 21.574 2.183 ( 0.201 -16.166 9.436) 18.720 2.183 ( 0.201 16.166 9.436) 18.720 2.464 ( 5.966 -16.404 3.497) 17.802 2.464 ( 5.966 16.404 3.497) 17.802 2.947 ( 3.174 -10.418 3.034) 11.305 2.947 ( 3.174 10.418 3.034) 11.305 3.526 ( -3.858 -13.121 -2.758) 13.952 3.526 ( -3.858 13.121 -2.758) 13.952 3.704 ( -1.516 -10.401 -4.695) 11.511 3.704 ( -1.516 10.401 -4.695) 11.511 3.801 ( 2.799 -9.248 -3.772) 10.373 3.801 ( 2.799 9.248 -3.772) 10.373 4.063 ( -2.150 -7.822 8.526) 11.768 4.063 ( -2.150 7.822 8.526) 11.768 4.073 ( -0.676 -4.371 0.634) 4.468 4.073 ( -0.676 4.371 0.634) 4.468 4.373 ( 1.437 -0.292 -1.056) 1.807 4.373 ( 1.437 0.292 -1.056) 1.807 4.564 ( -5.037 -6.688 -6.866) 10.827 4.564 ( -5.037 6.688 -6.866) 10.827 4.785 ( -0.173 -2.300 -1.403) 2.699 4.785 ( -0.173 2.300 -1.403) 2.699 4.871 ( -2.343 -12.593 -7.295) 14.740 4.871 ( -2.343 12.593 -7.295) 14.740 5.159 ( -2.874 -5.247 2.017) 6.313 5.159 ( -2.874 5.247 2.017) 6.313 5.242 ( 0.189 -5.097 1.797) 5.407 5.242 ( 0.189 5.097 1.797) 5.407 5.406 ( 0.878 -7.296 3.175) 8.005 5.406 ( 0.878 7.296 3.175) 8.005 5.600 ( 6.366 -5.193 -5.817) 10.066 5.600 ( 6.366 5.193 -5.817) 10.066 5.752 ( 5.384 -3.912 4.674) 8.132 5.752 ( 5.384 3.912 4.674) 8.132 5.938 ( -0.074 -2.485 1.485) 2.896 5.938 ( -0.074 2.485 1.485) 2.896 6.204 ( -1.019 -0.711 1.010) 1.601 6.204 ( -1.019 0.711 1.010) 1.601 6.448 ( -0.690 -8.828 1.487) 8.979 6.448 ( -0.690 8.828 1.487) 8.979 6.619 ( -4.945 -4.614 -1.916) 7.029 6.619 ( -4.945 4.614 -1.916) 7.029 6.829 ( 2.391 -7.003 -3.218) 8.070 6.829 ( 2.391 7.003 -3.218) 8.070 7.011 ( 0.157 -6.507 -0.723) 6.549 7.011 ( 0.157 6.507 -0.723) 6.549 7.076 ( -3.251 -6.229 -0.591) 7.051 7.076 ( -3.251 6.229 -0.591) 7.051 7.207 ( -1.283 -2.575 0.684) 2.957 7.207 ( -1.283 2.575 0.684) 2.957 7.435 ( -0.081 -4.779 4.719) 6.717 7.435 ( -0.081 4.779 4.719) 6.717 7.600 ( 8.589 -8.400 -5.208) 13.094 7.600 ( 8.589 8.400 -5.208) 13.094 7.796 ( -2.054 -6.702 2.518) 7.448 7.796 ( -2.054 6.702 2.518) 7.448 7.924 ( -1.179 -2.583 -0.143) 2.843 7.924 ( -1.179 2.583 -0.143) 2.843 8.228 ( 0.760 -1.931 -4.042) 4.544 8.228 ( 0.760 1.931 -4.042) 4.544 8.262 ( -0.530 -2.279 3.282) 4.031 8.262 ( -0.530 2.279 3.282) 4.031 8.518 ( 2.605 -3.400 -4.389) 6.133 8.518 ( 2.605 3.400 -4.389) 6.133 8.845 ( -1.895 -3.343 -0.942) 3.956 8.845 ( -1.895 3.343 -0.942) 3.956 9.206 ( -2.709 -2.489 -1.976) 4.176 9.206 ( -2.709 2.489 -1.976) 4.176 9.349 ( 2.605 -3.264 -2.223) 4.730 9.349 ( 2.605 3.264 -2.223) 4.730 9.656 ( -3.200 -2.464 0.767) 4.111 9.656 ( -3.200 2.464 0.767) 4.111 9.860 ( 5.471 -2.731 1.334) 6.258 9.860 ( 5.471 2.731 1.334) 6.258 10.178 ( -0.705 -5.122 0.129) 5.172 10.178 ( -0.705 5.122 0.129) 5.172 10.527 ( -6.940 -2.295 -7.284) 10.319 10.527 ( -6.940 2.295 -7.284) 10.319 10.642 ( -5.173 -3.211 0.276) 6.095 10.642 ( -5.173 3.211 0.276) 6.095 10.761 ( 2.059 -3.228 2.244) 4.438 10.761 ( 2.059 3.228 2.244) 4.438 11.685 ( 1.175 -7.483 -0.989) 7.639 11.685 ( 1.175 7.483 -0.989) 7.639 11.935 ( -2.324 -4.000 0.178) 4.629 11.935 ( -2.324 4.000 0.178) 4.629 12.788 ( -4.670 -0.265 -2.835) 5.469 12.788 ( -4.670 0.265 -2.835) 5.469 13.133 ( -1.499 -1.925 -1.369) 2.798 13.133 ( -1.499 1.925 -1.369) 2.798 13.369 ( 16.471 -4.210 12.946) 21.368 13.369 ( 16.471 4.210 12.946) 21.368 13.621 ( -1.873 -2.298 -2.230) 3.709 13.621 ( -1.873 2.298 -2.230) 3.709 13.822 ( 11.177 -1.566 10.993) 15.755 13.822 ( 11.177 1.566 10.993) 15.755 14.438 ( 0.100 -0.876 1.756) 1.965 14.438 ( 0.100 0.876 1.756) 1.965 14.846 ( -7.460 -1.440 -2.955) 8.152 14.846 ( -7.460 1.440 -2.955) 8.152 15.120 ( -4.642 -4.961 -9.850) 11.966 15.120 ( -4.642 4.961 -9.850) 11.966 15.424 ( 1.083 -3.770 3.735) 5.416 15.424 ( 1.083 3.770 3.735) 5.416 15.652 ( -1.325 -2.246 0.139) 2.611 15.652 ( -1.325 2.246 0.139) 2.611 15.832 ( 1.170 -1.627 -0.761) 2.144 15.832 ( 1.170 1.627 -0.761) 2.144 16.105 ( 2.054 -1.539 2.907) 3.878 16.105 ( 2.054 1.539 2.907) 3.878 19.310 ( 3.430 -2.208 0.961) 4.191 19.310 ( 3.430 2.208 0.961) 4.191 19.634 ( -4.967 -5.035 -4.443) 8.353 19.634 ( -4.967 5.035 -4.443) 8.353 24.849 ( 1.567 -0.499 3.115) 3.522 24.849 ( 1.567 0.499 3.115) 3.522 24.941 ( 0.619 -2.174 1.356) 2.636 24.941 ( 0.619 2.174 1.356) 2.636 26.294 ( -0.657 -2.297 0.631) 2.470 26.294 ( -0.657 2.297 0.631) 2.470 26.695 ( -0.720 -2.298 -3.154) 3.968 26.695 ( -0.720 2.298 -3.154) 3.968 27.638 ( 2.427 -2.087 1.819) 3.681 27.638 ( 2.427 2.087 1.819) 3.681 27.837 ( -0.815 -1.252 0.375) 1.540 27.837 ( -0.815 1.252 0.375) 1.540 27.925 ( -1.271 -2.399 4.572) 5.317 27.925 ( -1.271 2.399 4.572) 5.317 28.093 ( -3.059 -2.714 2.297) 4.690 28.093 ( -3.059 2.714 2.297) 4.690 28.272 ( 2.339 -4.704 2.218) 5.703 28.272 ( 2.339 4.704 2.218) 5.703 28.584 ( -1.742 -3.995 -1.013) 4.474 28.584 ( -1.742 3.995 -1.013) 4.474 28.908 ( 2.333 -8.809 -0.380) 9.120 28.908 ( 2.333 8.809 -0.380) 9.120 29.179 ( -2.015 -3.331 -2.106) 4.426 29.179 ( -2.015 3.331 -2.106) 4.426 29.820 ( 5.809 -1.776 5.513) 8.204 29.820 ( 5.809 1.776 5.513) 8.204 30.637 ( -4.768 -0.163 -12.673) 13.542 30.637 ( -4.768 0.163 -12.673) 13.542 ======================= Grid point 72 (39/72) ======================= q-point: ( 0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 3.814 -5.507 11.870) 13.630 2.133 ( 3.814 5.507 11.870) 13.630 2.447 ( 13.273 -5.735 9.420) 17.257 2.447 ( 13.273 5.735 9.420) 17.257 2.681 ( 10.491 -15.531 4.485) 19.272 2.681 ( 10.491 15.531 4.485) 19.272 2.958 ( -7.368 -11.408 2.573) 13.823 2.958 ( -7.368 11.408 2.573) 13.823 3.382 ( 2.498 -8.039 -9.712) 12.853 3.382 ( 2.498 8.039 -9.712) 12.853 3.683 ( 6.832 -3.528 -3.825) 8.588 3.683 ( 6.832 3.528 -3.825) 8.588 3.886 ( -9.537 -7.104 -4.007) 12.549 3.886 ( -9.537 7.104 -4.007) 12.549 3.990 ( 7.060 -12.227 4.949) 14.961 3.990 ( 7.060 12.227 4.949) 14.961 4.102 ( -4.114 -7.770 2.909) 9.261 4.102 ( -4.114 7.770 2.909) 9.261 4.392 ( -1.602 -5.528 0.832) 5.815 4.392 ( -1.602 5.528 0.832) 5.815 4.533 ( 6.124 -3.657 -0.004) 7.132 4.533 ( 6.124 3.657 -0.004) 7.132 4.655 ( -2.424 -7.803 -2.935) 8.682 4.655 ( -2.424 7.803 -2.935) 8.682 4.825 ( -0.468 -8.003 -4.099) 9.004 4.825 ( -0.468 8.003 -4.099) 9.004 5.167 ( 1.047 -1.196 -1.792) 2.395 5.167 ( 1.047 1.196 -1.792) 2.395 5.255 ( 0.298 -7.300 3.245) 7.994 5.255 ( 0.298 7.300 3.245) 7.994 5.515 ( 9.054 -7.920 -2.617) 12.311 5.515 ( 9.054 7.920 -2.617) 12.311 5.700 ( 7.294 -8.081 0.897) 10.922 5.700 ( 7.294 8.081 0.897) 10.922 5.848 ( -0.152 -3.433 -2.254) 4.110 5.848 ( -0.152 3.433 -2.254) 4.110 5.976 ( 1.189 -6.714 5.485) 8.751 5.976 ( 1.189 6.714 5.485) 8.751 6.235 ( 4.901 -4.201 2.446) 6.903 6.235 ( 4.901 4.201 2.446) 6.903 6.489 ( -0.123 -7.976 3.806) 8.838 6.489 ( -0.123 7.976 3.806) 8.838 6.569 ( 3.368 -7.851 -1.353) 8.649 6.569 ( 3.368 7.851 -1.353) 8.649 6.741 ( -4.088 -4.019 -4.255) 7.139 6.741 ( -4.088 4.019 -4.255) 7.139 6.963 ( -2.300 -8.239 -5.034) 9.925 6.963 ( -2.300 8.239 -5.034) 9.925 7.072 ( 0.857 -4.067 1.377) 4.378 7.072 ( 0.857 4.067 1.377) 4.378 7.198 ( -0.898 -3.838 0.293) 3.952 7.198 ( -0.898 3.838 0.293) 3.952 7.404 ( -6.809 -7.295 0.995) 10.029 7.404 ( -6.809 7.295 0.995) 10.029 7.672 ( 5.243 -3.240 -5.716) 8.406 7.672 ( 5.243 3.240 -5.716) 8.406 7.773 ( -5.383 -5.498 3.231) 8.345 7.773 ( -5.383 5.498 3.231) 8.345 7.917 ( 1.520 -2.623 -0.612) 3.093 7.917 ( 1.520 2.623 -0.612) 3.093 8.164 ( -3.537 -4.001 -3.514) 6.393 8.164 ( -3.537 4.001 -3.514) 6.393 8.315 ( 0.991 -1.422 4.260) 4.599 8.315 ( 0.991 1.422 4.260) 4.599 8.491 ( -1.006 -0.760 -1.712) 2.127 8.491 ( -1.006 0.760 -1.712) 2.127 8.800 ( -6.022 -5.348 -2.425) 8.411 8.800 ( -6.022 5.348 -2.425) 8.411 9.063 ( -3.335 -3.538 -0.755) 4.920 9.063 ( -3.335 3.538 -0.755) 4.920 9.373 ( 2.454 -5.636 -1.855) 6.421 9.373 ( 2.454 5.636 -1.855) 6.421 9.662 ( 1.318 -3.520 4.266) 5.686 9.662 ( 1.318 3.520 4.266) 5.686 9.912 ( -4.438 -3.464 -3.841) 6.815 9.912 ( -4.438 3.464 -3.841) 6.815 10.175 ( -4.942 -1.823 -1.595) 5.504 10.175 ( -4.942 1.823 -1.595) 5.504 10.350 ( 2.255 -2.586 -0.860) 3.537 10.350 ( 2.255 2.586 -0.860) 3.537 10.500 ( -3.822 -1.232 3.140) 5.098 10.500 ( -3.822 1.232 3.140) 5.098 10.888 ( 5.329 -1.794 1.397) 5.794 10.888 ( 5.329 1.794 1.397) 5.794 11.690 ( -1.900 -4.348 0.320) 4.756 11.690 ( -1.900 4.348 0.320) 4.756 11.954 ( 4.237 -5.275 1.031) 6.844 11.954 ( 4.237 5.275 1.031) 6.844 12.732 ( -1.971 -1.470 0.778) 2.579 12.732 ( -1.971 1.470 0.778) 2.579 13.095 ( -0.482 -4.038 -1.315) 4.275 13.095 ( -0.482 4.038 -1.315) 4.275 13.535 ( -2.993 -2.611 0.387) 3.991 13.535 ( -2.993 2.611 0.387) 3.991 13.546 ( -0.685 -3.994 -0.819) 4.134 13.546 ( -0.685 3.994 -0.819) 4.134 14.166 ( -16.620 -1.610 -6.852) 18.049 14.166 ( -16.620 1.610 -6.852) 18.049 14.330 ( 6.161 -1.998 8.961) 11.056 14.330 ( 6.161 1.998 8.961) 11.056 14.763 ( 3.513 -2.273 3.962) 5.762 14.763 ( 3.513 2.273 3.962) 5.762 15.024 ( 4.729 -3.187 -4.253) 7.114 15.024 ( 4.729 3.187 -4.253) 7.114 15.472 ( 0.544 -1.600 1.343) 2.159 15.472 ( 0.544 1.600 1.343) 2.159 15.642 ( 0.377 -0.978 0.896) 1.379 15.642 ( 0.377 0.978 0.896) 1.379 15.878 ( 4.634 -2.247 -1.728) 5.432 15.878 ( 4.634 2.247 -1.728) 5.432 16.202 ( 4.660 -3.430 1.539) 5.987 16.202 ( 4.660 3.430 1.539) 5.987 19.355 ( -3.742 -3.439 -1.902) 5.427 19.355 ( -3.742 3.439 -1.902) 5.427 19.518 ( 1.730 -0.717 -0.027) 1.873 19.518 ( 1.730 0.717 -0.027) 1.873 24.914 ( 1.630 -1.228 2.156) 2.968 24.914 ( 1.630 1.228 2.156) 2.968 24.990 ( 3.242 -3.488 1.116) 4.891 24.990 ( 3.242 3.488 1.116) 4.891 26.296 ( 0.010 -1.708 0.751) 1.866 26.296 ( 0.010 1.708 0.751) 1.866 26.650 ( -0.420 -2.697 -2.748) 3.873 26.650 ( -0.420 2.697 -2.748) 3.873 27.684 ( 0.309 -0.622 -0.540) 0.880 27.684 ( 0.309 0.622 -0.540) 0.880 27.823 ( -0.778 -1.899 0.989) 2.279 27.823 ( -0.778 1.899 0.989) 2.279 27.956 ( -1.327 -3.533 4.496) 5.870 27.956 ( -1.327 3.533 4.496) 5.870 28.062 ( -1.828 -4.653 1.682) 5.274 28.062 ( -1.828 4.653 1.682) 5.274 28.357 ( 2.978 -5.058 3.777) 6.980 28.357 ( 2.978 5.058 3.777) 6.980 28.560 ( 1.246 -3.363 -2.222) 4.218 28.560 ( 1.246 3.363 -2.222) 4.218 28.950 ( 2.069 -7.556 0.690) 7.865 28.950 ( 2.069 7.556 0.690) 7.865 29.098 ( -3.441 -6.155 -1.319) 7.174 29.098 ( -3.441 6.155 -1.319) 7.174 30.021 ( 5.451 -1.020 7.805) 9.575 30.021 ( 5.451 1.020 7.805) 9.575 30.338 ( -8.926 -5.436 -14.711) 18.045 30.338 ( -8.926 5.436 -14.711) 18.045 ======================= Grid point 74 (40/72) ======================= q-point: ( 0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -2.346 -1.338 1.515) 3.097 2.225 ( -2.346 1.338 1.515) 3.097 2.701 ( 6.074 -6.565 2.361) 9.250 2.701 ( 6.074 6.565 2.361) 9.250 2.788 ( 5.413 -6.424 -1.449) 8.525 2.788 ( 5.413 6.424 -1.449) 8.525 2.954 ( 1.449 -11.228 4.357) 12.130 2.954 ( 1.449 11.228 4.357) 12.130 3.408 ( 2.229 -4.321 -0.329) 4.873 3.408 ( 2.229 4.321 -0.329) 4.873 3.655 ( -0.923 -11.961 -6.333) 13.565 3.655 ( -0.923 11.961 -6.333) 13.565 3.825 ( -0.449 -1.460 1.900) 2.438 3.825 ( -0.449 1.460 1.900) 2.438 3.916 ( -4.727 -5.660 -3.251) 8.059 3.916 ( -4.727 5.660 -3.251) 8.059 4.178 ( 1.521 -1.954 0.588) 2.546 4.178 ( 1.521 1.954 0.588) 2.546 4.339 ( -2.391 -6.647 -0.444) 7.078 4.339 ( -2.391 6.647 -0.444) 7.078 4.697 ( 2.937 -5.783 8.529) 10.715 4.697 ( 2.937 5.783 8.529) 10.715 4.717 ( 9.973 -2.424 -6.760) 12.290 4.717 ( 9.973 2.424 -6.760) 12.290 4.858 ( 8.665 -4.169 4.187) 10.488 4.858 ( 8.665 4.169 4.187) 10.488 5.174 ( 3.313 -3.781 2.389) 5.566 5.174 ( 3.313 3.781 2.389) 5.566 5.310 ( 1.771 -6.834 0.058) 7.060 5.310 ( 1.771 6.834 0.058) 7.060 5.568 ( 2.763 -4.939 -9.192) 10.795 5.568 ( 2.763 4.939 -9.192) 10.795 5.820 ( 1.957 -4.058 2.880) 5.347 5.820 ( 1.957 4.058 2.880) 5.347 5.942 ( 6.630 -7.898 8.607) 13.432 5.942 ( 6.630 7.898 8.607) 13.432 6.027 ( 4.844 -1.822 -0.469) 5.197 6.027 ( 4.844 1.822 -0.469) 5.197 6.337 ( -2.107 -3.489 -1.359) 4.296 6.337 ( -2.107 3.489 -1.359) 4.296 6.444 ( 5.018 -1.411 -6.624) 8.429 6.444 ( 5.018 1.411 -6.624) 8.429 6.659 ( 0.550 -9.957 -0.163) 9.974 6.659 ( 0.550 9.957 -0.163) 9.974 6.734 ( 1.785 -6.644 0.948) 6.944 6.734 ( 1.785 6.644 0.948) 6.944 6.896 ( -1.483 -2.775 8.037) 8.631 6.896 ( -1.483 2.775 8.037) 8.631 7.064 ( -1.883 -2.015 -3.444) 4.412 7.064 ( -1.883 2.015 -3.444) 4.412 7.167 ( -0.743 -0.169 -4.538) 4.602 7.167 ( -0.743 0.169 -4.538) 4.602 7.268 ( -7.345 -4.962 3.570) 9.556 7.268 ( -7.345 4.962 3.570) 9.556 7.636 ( -1.679 -7.584 -5.778) 9.681 7.636 ( -1.679 7.584 -5.778) 9.681 7.713 ( -3.733 -2.275 -0.468) 4.397 7.713 ( -3.733 2.275 -0.468) 4.397 7.874 ( -2.120 -2.324 -6.658) 7.364 7.874 ( -2.120 2.324 -6.658) 7.364 8.052 ( -2.585 -4.862 -2.643) 6.108 8.052 ( -2.585 4.862 -2.643) 6.108 8.336 ( -5.716 -1.749 6.705) 8.983 8.336 ( -5.716 1.749 6.705) 8.983 8.452 ( 0.315 -2.011 -3.215) 3.805 8.452 ( 0.315 2.011 -3.215) 3.805 8.744 ( 2.669 -3.890 4.777) 6.714 8.744 ( 2.669 3.890 4.777) 6.714 9.072 ( -2.374 -7.228 3.928) 8.562 9.072 ( -2.374 7.228 3.928) 8.562 9.374 ( 1.000 -8.440 -3.503) 9.193 9.374 ( 1.000 8.440 -3.503) 9.193 9.624 ( -8.351 -2.277 -2.347) 8.968 9.624 ( -8.351 2.277 -2.347) 8.968 9.876 ( 4.006 -2.009 1.368) 4.686 9.876 ( 4.006 2.009 1.368) 4.686 9.996 ( -5.918 -5.796 -0.304) 8.289 9.996 ( -5.918 5.796 -0.304) 8.289 10.396 ( -5.158 -5.824 7.189) 10.593 10.396 ( -5.158 5.824 7.189) 10.593 10.657 ( 11.134 -2.921 1.925) 11.671 10.657 ( 11.134 2.921 1.925) 11.671 10.967 ( 4.071 -3.690 -1.227) 5.630 10.967 ( 4.071 3.690 -1.227) 5.630 11.671 ( 1.391 -1.670 -0.070) 2.175 11.671 ( 1.391 1.670 -0.070) 2.175 12.016 ( -0.190 -7.215 -0.499) 7.235 12.016 ( -0.190 7.215 -0.499) 7.235 12.710 ( -1.114 -1.316 1.358) 2.194 12.710 ( -1.114 1.316 1.358) 2.194 13.079 ( -2.760 -4.557 -0.423) 5.344 13.079 ( -2.760 4.557 -0.423) 5.344 13.316 ( -10.760 -1.736 -8.686) 13.937 13.316 ( -10.760 1.736 -8.686) 13.937 13.566 ( 0.203 -1.967 -1.046) 2.238 13.566 ( 0.203 1.967 -1.046) 2.238 13.809 ( -6.018 -2.661 -2.208) 6.941 13.809 ( -6.018 2.661 -2.208) 6.941 14.347 ( -6.782 -1.977 -0.059) 7.064 14.347 ( -6.782 1.977 -0.059) 7.064 14.872 ( 1.855 -3.726 1.723) 4.505 14.872 ( 1.855 3.726 1.723) 4.505 15.206 ( 9.536 -3.078 3.966) 10.777 15.206 ( 9.536 3.078 3.966) 10.777 15.470 ( -0.249 -3.203 -1.338) 3.481 15.470 ( -0.249 3.203 -1.338) 3.481 15.685 ( 0.913 -3.715 3.677) 5.306 15.685 ( 0.913 3.715 3.677) 5.306 15.949 ( 4.789 -0.989 -1.868) 5.235 15.949 ( 4.789 0.989 -1.868) 5.235 16.284 ( 4.121 -3.635 -1.089) 5.602 16.284 ( 4.121 3.635 -1.089) 5.602 19.221 ( -4.362 -3.075 -2.465) 5.879 19.221 ( -4.362 3.075 -2.465) 5.879 19.626 ( 3.943 -2.741 3.043) 5.685 19.626 ( 3.943 2.741 3.043) 5.685 24.947 ( 1.049 -0.418 -0.168) 1.141 24.947 ( 1.049 0.418 -0.168) 1.141 25.055 ( 2.751 -3.864 -0.367) 4.757 25.055 ( 2.751 3.864 -0.367) 4.757 26.305 ( 0.202 -0.753 0.600) 0.984 26.305 ( 0.202 0.753 0.600) 0.984 26.633 ( 0.341 -3.030 -0.302) 3.064 26.633 ( 0.341 3.030 -0.302) 3.064 27.656 ( -0.606 -1.840 -1.875) 2.696 27.656 ( -0.606 1.840 -1.875) 2.696 27.814 ( -2.928 -3.440 2.680) 5.252 27.814 ( -2.928 3.440 2.680) 5.252 27.957 ( -0.826 -2.861 0.774) 3.077 27.957 ( -0.826 2.861 0.774) 3.077 28.071 ( -0.109 -3.866 2.349) 4.525 28.071 ( -0.109 3.866 2.349) 4.525 28.422 ( 0.186 -0.943 2.301) 2.494 28.422 ( 0.186 0.943 2.301) 2.494 28.585 ( 3.632 -2.121 -2.544) 4.916 28.585 ( 3.632 2.121 -2.544) 4.916 28.982 ( 1.113 -5.022 -1.174) 5.276 28.982 ( 1.113 5.022 -1.174) 5.276 29.062 ( -0.802 -8.316 1.968) 8.583 29.062 ( -0.802 8.316 1.968) 8.583 29.942 ( -8.119 -6.458 -7.956) 13.074 29.942 ( -8.119 6.458 -7.956) 13.074 30.279 ( 3.803 -2.721 4.326) 6.371 30.279 ( 3.803 2.721 4.326) 6.371 ======================= Grid point 76 (41/72) ======================= q-point: (-0.57 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 0.488 -3.634 -2.837) 4.637 2.172 ( 0.488 3.634 -2.837) 4.637 2.725 ( -1.933 -6.072 0.082) 6.373 2.725 ( -1.933 6.072 0.082) 6.373 2.947 ( 2.132 -5.250 4.139) 7.017 2.947 ( 2.132 5.250 4.139) 7.017 3.016 ( 3.311 -2.988 5.658) 7.204 3.016 ( 3.311 2.988 5.658) 7.204 3.375 ( -3.967 -3.034 -1.211) 5.139 3.375 ( -3.967 3.034 -1.211) 5.139 3.585 ( -1.763 -3.760 -6.323) 7.565 3.585 ( -1.763 3.760 -6.323) 7.565 3.824 ( 2.517 -8.134 -1.865) 8.716 3.824 ( 2.517 8.134 -1.865) 8.716 3.853 ( 1.167 -1.211 -1.472) 2.235 3.853 ( 1.167 1.211 -1.472) 2.235 4.238 ( 3.882 -8.116 -0.123) 8.998 4.238 ( 3.882 8.116 -0.123) 8.998 4.343 ( 1.244 -5.887 7.173) 9.363 4.343 ( 1.244 5.887 7.173) 9.363 4.686 ( -1.812 -6.182 1.719) 6.667 4.686 ( -1.812 6.182 1.719) 6.667 4.929 ( 4.255 -8.213 2.846) 9.677 4.929 ( 4.255 8.213 2.846) 9.677 5.015 ( 5.349 -6.473 1.628) 8.553 5.015 ( 5.349 6.473 1.628) 8.553 5.261 ( -6.640 -2.117 -1.372) 7.103 5.261 ( -6.640 2.117 -1.372) 7.103 5.363 ( 8.789 -2.107 2.680) 9.427 5.363 ( 8.789 2.107 2.680) 9.427 5.543 ( 2.336 -2.077 -3.931) 5.022 5.543 ( 2.336 2.077 -3.931) 5.022 5.797 ( -1.815 -3.657 -4.463) 6.048 5.797 ( -1.815 3.657 -4.463) 6.048 5.995 ( 0.704 -1.675 -2.343) 2.965 5.995 ( 0.704 1.675 -2.343) 2.965 6.200 ( 1.737 -0.758 -1.586) 2.471 6.200 ( 1.737 0.758 -1.586) 2.471 6.234 ( -6.197 -3.436 0.392) 7.097 6.234 ( -6.197 3.436 0.392) 7.097 6.494 ( 6.039 -5.272 -4.838) 9.364 6.494 ( 6.039 5.272 -4.838) 9.364 6.672 ( -2.923 -4.094 1.128) 5.155 6.672 ( -2.923 4.094 1.128) 5.155 6.680 ( 2.843 -5.874 -1.599) 6.719 6.680 ( 2.843 5.874 -1.599) 6.719 6.924 ( 0.425 -8.116 -4.772) 9.425 6.924 ( 0.425 8.117 -4.772) 9.425 6.998 ( -2.784 -9.151 2.699) 9.939 6.998 ( -2.784 9.151 2.699) 9.939 7.134 ( -4.295 -4.121 6.856) 9.080 7.134 ( -4.295 4.121 6.856) 9.080 7.276 ( 1.389 -1.637 6.459) 6.807 7.276 ( 1.389 1.637 6.459) 6.807 7.601 ( 6.505 -5.965 -5.522) 10.411 7.601 ( 6.505 5.965 -5.522) 10.411 7.641 ( -1.861 -1.069 -0.248) 2.160 7.641 ( -1.861 1.069 -0.248) 2.160 7.825 ( 3.012 -1.313 -4.201) 5.334 7.825 ( 3.012 1.313 -4.201) 5.334 8.016 ( -0.224 -3.350 0.224) 3.365 8.016 ( -0.224 3.350 0.224) 3.365 8.281 ( -6.108 -0.395 5.481) 8.216 8.281 ( -6.108 0.395 5.481) 8.216 8.443 ( 1.034 -4.253 -1.645) 4.675 8.443 ( 1.034 4.253 -1.645) 4.675 8.850 ( -0.457 -0.458 3.245) 3.309 8.850 ( -0.457 0.458 3.245) 3.309 9.017 ( -5.101 -10.663 1.562) 11.923 9.017 ( -5.101 10.663 1.562) 11.923 9.377 ( 3.927 -8.276 -2.174) 9.415 9.377 ( 3.927 8.276 -2.174) 9.415 9.486 ( -3.073 -3.773 -0.975) 4.963 9.486 ( -3.073 3.773 -0.975) 4.963 9.888 ( 0.115 -5.226 0.681) 5.271 9.888 ( 0.115 5.226 0.681) 5.271 10.000 ( -1.813 -4.078 2.287) 5.015 10.000 ( -1.813 4.078 2.287) 5.015 10.322 ( -6.893 -4.043 1.008) 8.055 10.322 ( -6.893 4.043 1.008) 8.055 10.781 ( 2.906 -3.493 -1.602) 4.818 10.781 ( 2.906 3.493 -1.602) 4.818 11.018 ( 1.816 -2.410 -2.763) 4.091 11.018 ( 1.816 2.410 -2.763) 4.091 11.743 ( 2.488 -4.263 1.359) 5.119 11.743 ( 2.488 4.263 1.359) 5.119 11.937 ( -2.502 -8.927 -2.451) 9.590 11.937 ( -2.502 8.927 -2.451) 9.590 12.709 ( -0.996 -0.873 0.445) 1.398 12.709 ( -0.996 0.873 0.445) 1.398 12.976 ( -0.328 -1.388 -1.247) 1.894 12.976 ( -0.328 1.388 -1.247) 1.894 13.232 ( 2.725 -6.012 1.206) 6.710 13.232 ( 2.725 6.012 1.206) 6.710 13.573 ( 3.235 -1.187 1.011) 3.592 13.573 ( 3.235 1.187 1.011) 3.592 13.770 ( -3.263 -1.587 1.084) 3.787 13.770 ( -3.263 1.587 1.084) 3.787 14.235 ( -3.026 -3.247 -0.830) 4.515 14.235 ( -3.026 3.247 -0.830) 4.515 14.887 ( 0.207 -4.333 -0.829) 4.416 14.887 ( 0.207 4.333 -0.829) 4.416 15.313 ( 0.289 -0.528 -1.380) 1.506 15.313 ( 0.289 0.528 -1.380) 1.506 15.442 ( -1.035 -6.219 -2.115) 6.650 15.442 ( -1.035 6.219 -2.115) 6.650 15.730 ( -0.341 -3.592 4.001) 5.388 15.730 ( -0.341 3.592 4.001) 5.388 15.999 ( 2.368 -0.838 -1.504) 2.928 15.999 ( 2.368 0.838 -1.504) 2.928 16.336 ( 2.520 -2.364 -0.860) 3.561 16.336 ( 2.520 2.364 -0.860) 3.561 19.180 ( 0.382 -1.671 1.436) 2.236 19.180 ( 0.382 1.671 1.436) 2.236 19.668 ( -0.919 -2.436 -0.767) 2.714 19.668 ( -0.919 2.436 -0.767) 2.714 24.951 ( 0.333 -0.606 -1.548) 1.695 24.951 ( 0.333 0.606 -1.548) 1.695 25.071 ( 0.520 -3.135 -2.409) 3.988 25.071 ( 0.520 3.135 -2.409) 3.988 26.316 ( 0.183 -0.409 0.789) 0.907 26.316 ( 0.183 0.409 0.789) 0.907 26.652 ( 0.622 -2.851 2.011) 3.544 26.652 ( 0.622 2.851 2.011) 3.544 27.653 ( 1.372 -2.333 0.363) 2.731 27.653 ( 1.372 2.333 0.363) 2.731 27.783 ( -2.573 -2.883 2.150) 4.423 27.783 ( -2.573 2.883 2.150) 4.423 27.947 ( -0.912 -2.996 -0.434) 3.162 27.947 ( -0.912 2.996 -0.434) 3.162 28.096 ( -0.039 -2.725 2.908) 3.985 28.096 ( -0.039 2.725 2.908) 3.985 28.409 ( -2.201 -2.587 -1.289) 3.633 28.409 ( -2.201 2.587 -1.289) 3.633 28.626 ( 3.341 -2.441 -1.481) 4.395 28.626 ( 3.341 2.441 -1.481) 4.395 28.980 ( 1.016 -4.228 -2.500) 5.015 28.980 ( 1.016 4.228 -2.500) 5.015 29.038 ( -3.346 -9.235 -1.838) 9.993 29.038 ( -3.346 9.235 -1.838) 9.993 29.839 ( 2.252 -4.937 0.573) 5.456 29.839 ( 2.252 4.937 0.573) 5.456 30.346 ( -0.956 -3.880 2.705) 4.825 30.346 ( -0.956 3.880 2.705) 4.825 ======================= Grid point 78 (42/72) ======================= q-point: (-0.43 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 8.730 -5.547 -1.753) 10.491 2.234 ( 8.730 5.547 -1.753) 10.491 2.619 ( -11.785 -9.787 1.076) 15.357 2.619 ( -11.785 9.787 1.076) 15.357 2.916 ( -9.179 -11.946 4.541) 15.735 2.916 ( -9.179 11.946 4.541) 15.735 3.025 ( -9.532 -9.148 0.179) 13.213 3.025 ( -9.532 9.148 0.179) 13.213 3.337 ( 1.349 -0.974 -1.747) 2.413 3.337 ( 1.349 0.974 -1.747) 2.413 3.555 ( 5.760 -8.436 -1.598) 10.339 3.555 ( 5.760 8.436 -1.598) 10.339 3.855 ( 7.751 -2.033 -1.113) 8.090 3.855 ( 7.751 2.033 -1.113) 8.090 3.979 ( 6.257 -12.957 0.555) 14.399 3.979 ( 6.257 12.957 0.555) 14.399 4.284 ( 4.476 -10.206 -5.024) 12.225 4.284 ( 4.476 10.206 -5.024) 12.225 4.414 ( -4.978 -7.815 3.022) 9.746 4.414 ( -4.978 7.815 3.022) 9.746 4.663 ( -6.062 -4.606 9.184) 11.929 4.663 ( -6.062 4.606 9.184) 11.929 4.936 ( -6.756 -3.598 -0.680) 7.684 4.936 ( -6.756 3.598 -0.680) 7.684 5.020 ( -5.641 -7.220 2.116) 9.403 5.020 ( -5.641 7.220 2.116) 9.403 5.170 ( 0.714 -4.558 5.890) 7.482 5.170 ( 0.714 4.558 5.890) 7.482 5.424 ( -3.104 -1.172 -0.274) 3.329 5.424 ( -3.104 1.172 -0.274) 3.329 5.535 ( 1.140 -2.936 -5.524) 6.358 5.535 ( 1.140 2.936 -5.524) 6.358 5.693 ( -2.290 -12.049 -4.577) 13.091 5.693 ( -2.290 12.049 -4.577) 13.091 5.946 ( -2.565 -3.425 -5.458) 6.935 5.946 ( -2.565 3.425 -5.458) 6.935 6.059 ( -4.422 -6.570 -3.817) 8.791 6.059 ( -4.422 6.570 -3.817) 8.791 6.229 ( 2.415 -3.998 -1.392) 4.874 6.229 ( 2.415 3.998 -1.392) 4.874 6.460 ( -4.303 -1.729 -0.662) 4.685 6.460 ( -4.303 1.729 -0.662) 4.685 6.662 ( -2.600 -2.108 0.029) 3.348 6.662 ( -2.600 2.108 0.029) 3.348 6.776 ( 6.204 -6.538 2.310) 9.304 6.776 ( 6.204 6.538 2.310) 9.304 6.907 ( 0.261 -1.520 -2.117) 2.619 6.907 ( 0.261 1.520 -2.117) 2.619 7.029 ( 3.706 -4.785 -1.383) 6.208 7.029 ( 3.706 4.785 -1.383) 6.208 7.157 ( 0.590 -4.006 5.935) 7.185 7.157 ( 0.590 4.006 5.935) 7.185 7.361 ( 0.239 -4.302 5.457) 6.953 7.361 ( 0.239 4.302 5.457) 6.953 7.607 ( -1.976 -2.896 -0.318) 3.521 7.607 ( -1.976 2.896 -0.318) 3.521 7.693 ( 7.207 -0.736 -5.081) 8.849 7.693 ( 7.207 0.736 -5.081) 8.849 7.874 ( 7.375 -2.681 -7.761) 11.037 7.874 ( 7.375 2.681 -7.761) 11.037 8.084 ( 3.009 -2.023 6.175) 7.161 8.084 ( 3.009 2.023 6.175) 7.161 8.264 ( -2.242 -2.780 6.890) 7.760 8.264 ( -2.242 2.780 6.890) 7.760 8.471 ( 4.218 -2.545 0.520) 4.954 8.471 ( 4.218 2.545 0.520) 4.954 8.731 ( -8.713 -2.521 -1.570) 9.205 8.731 ( -8.713 2.521 -1.570) 9.205 9.011 ( 0.875 -4.339 3.634) 5.727 9.011 ( 0.875 4.339 3.634) 5.727 9.443 ( 1.998 -9.158 -1.266) 9.459 9.443 ( 1.998 9.158 -1.266) 9.459 9.533 ( 7.728 -4.559 1.908) 9.173 9.533 ( 7.728 4.559 1.908) 9.173 9.768 ( -6.817 -5.777 -8.248) 12.160 9.768 ( -6.817 5.777 -8.248) 12.160 10.090 ( 6.773 -6.416 7.905) 12.228 10.090 ( 6.773 6.416 7.905) 12.228 10.216 ( -4.222 -2.473 -0.446) 4.913 10.216 ( -4.222 2.473 -0.446) 4.913 10.741 ( -5.564 -2.880 -2.167) 6.630 10.741 ( -5.564 2.880 -2.167) 6.630 10.957 ( -1.884 -3.427 -5.298) 6.585 10.957 ( -1.884 3.427 -5.298) 6.585 11.717 ( -2.723 -2.182 0.877) 3.598 11.717 ( -2.723 2.182 0.877) 3.598 11.964 ( 2.984 -7.225 -1.580) 7.975 11.964 ( 2.984 7.225 -1.580) 7.975 12.703 ( -0.498 -0.754 0.742) 1.170 12.703 ( -0.498 0.754 0.742) 1.170 13.022 ( 3.450 -3.166 0.461) 4.705 13.022 ( 3.450 3.166 0.461) 4.705 13.329 ( 5.316 -3.352 -0.899) 6.349 13.329 ( 5.316 3.352 -0.899) 6.349 13.671 ( -4.386 -0.479 2.052) 4.866 13.671 ( -4.386 0.479 2.052) 4.866 13.798 ( 13.158 -1.726 8.586) 15.806 13.798 ( 13.158 1.726 8.586) 15.806 14.177 ( -1.926 -2.313 -6.096) 6.798 14.177 ( -1.926 2.313 -6.096) 6.798 14.889 ( -0.985 -2.428 2.133) 3.378 14.889 ( -0.985 2.428 2.133) 3.378 15.228 ( -4.246 -0.641 -3.884) 5.790 15.228 ( -4.246 0.641 -3.884) 5.790 15.382 ( -1.594 -3.081 -4.455) 5.647 15.382 ( -1.594 3.081 -4.455) 5.647 15.758 ( -1.227 -1.781 4.085) 4.623 15.758 ( -1.227 1.781 4.085) 4.623 16.002 ( -0.652 -1.234 -1.244) 1.870 16.002 ( -0.652 1.234 -1.244) 1.870 16.338 ( -1.887 -3.643 -0.809) 4.182 16.338 ( -1.887 3.643 -0.809) 4.182 19.252 ( 3.839 -2.426 3.635) 5.817 19.252 ( 3.839 2.426 3.635) 5.817 19.596 ( -3.522 -1.731 -2.969) 4.921 19.596 ( -3.522 1.731 -2.969) 4.921 24.927 ( -0.921 -1.005 -1.978) 2.402 24.927 ( -0.921 1.005 -1.978) 2.402 25.031 ( -1.418 -2.348 -3.137) 4.167 25.031 ( -1.418 2.348 -3.137) 4.167 26.325 ( -0.325 -1.268 1.056) 1.682 26.325 ( -0.325 1.268 1.056) 1.682 26.689 ( 0.547 -2.501 2.617) 3.661 26.689 ( 0.547 2.501 2.617) 3.661 27.692 ( 0.949 -1.426 1.088) 2.029 27.692 ( 0.949 1.426 1.088) 2.029 27.786 ( 0.281 -1.402 3.449) 3.734 27.786 ( 0.281 1.402 3.449) 3.734 27.908 ( -1.728 -2.787 -2.253) 3.979 27.908 ( -1.728 2.787 -2.253) 3.979 28.127 ( -0.898 -0.175 4.240) 4.337 28.127 ( -0.898 0.175 4.240) 4.337 28.327 ( -3.296 -1.967 -3.616) 5.273 28.327 ( -3.296 1.967 -3.616) 5.273 28.681 ( 3.504 -2.352 -0.565) 4.258 28.681 ( 3.504 2.352 -0.565) 4.258 28.899 ( -4.359 -0.711 -4.596) 6.374 28.899 ( -4.359 0.711 -4.596) 6.374 29.004 ( 1.924 -5.175 -1.241) 5.659 29.004 ( 1.924 5.175 -1.241) 5.659 29.955 ( 4.388 -3.108 1.503) 5.583 29.955 ( 4.388 3.108 1.503) 5.583 30.344 ( 0.721 -3.731 3.282) 5.021 30.344 ( 0.721 3.731 3.282) 5.021 ======================= Grid point 80 (43/72) ======================= q-point: (-0.29 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -17.703 -1.918 -1.348) 17.858 2.301 ( -17.703 1.918 -1.348) 17.858 2.376 ( 0.883 -21.044 -6.218) 21.961 2.376 ( 0.883 21.044 -6.218) 21.961 2.716 ( -14.462 -8.811 3.224) 17.239 2.716 ( -14.462 8.811 3.224) 17.239 2.808 ( -8.997 -15.351 1.537) 17.859 2.808 ( -8.997 15.351 1.537) 17.859 3.405 ( 3.738 -7.206 3.908) 9.010 3.405 ( 3.738 7.206 3.908) 9.010 3.640 ( 3.079 -4.679 -0.647) 5.638 3.640 ( 3.079 4.679 -0.647) 5.638 3.905 ( 1.977 -12.437 -8.023) 14.931 3.905 ( 1.977 12.437 -8.023) 14.931 4.111 ( -0.715 -3.817 -4.214) 5.731 4.111 ( -0.715 3.817 -4.214) 5.731 4.169 ( -4.334 -12.578 4.770) 14.133 4.169 ( -4.334 12.578 4.770) 14.133 4.382 ( 4.546 -7.155 -4.838) 9.760 4.382 ( 4.546 7.155 -4.838) 9.760 4.664 ( -6.422 -0.347 11.441) 13.124 4.664 ( -6.422 0.347 11.441) 13.124 4.848 ( -0.533 -6.272 2.279) 6.694 4.848 ( -0.533 6.272 2.279) 6.694 4.980 ( -4.805 -9.071 5.229) 11.520 4.980 ( -4.805 9.071 5.229) 11.520 5.145 ( -5.375 -9.634 -2.597) 11.333 5.145 ( -5.375 9.634 -2.597) 11.333 5.396 ( -0.279 -5.049 3.874) 6.370 5.396 ( -0.279 5.049 3.874) 6.370 5.516 ( -5.041 -6.819 3.269) 9.088 5.516 ( -5.041 6.819 3.269) 9.088 5.682 ( 3.017 -3.589 -2.931) 5.529 5.682 ( 3.017 3.589 -2.931) 5.529 5.781 ( -6.286 -4.937 -9.616) 12.505 5.781 ( -6.286 4.937 -9.616) 12.505 5.933 ( -1.435 -4.885 -6.520) 8.273 5.933 ( -1.435 4.885 -6.520) 8.273 6.217 ( -2.315 -6.207 1.256) 6.743 6.217 ( -2.315 6.207 1.256) 6.743 6.452 ( -2.432 -4.258 5.883) 7.658 6.452 ( -2.432 4.258 5.883) 7.658 6.614 ( 2.739 -4.548 -2.724) 5.968 6.614 ( 2.739 4.548 -2.724) 5.968 6.828 ( -3.277 -1.679 1.159) 3.860 6.828 ( -3.277 1.679 1.159) 3.860 6.918 ( 3.845 -0.212 -4.149) 5.661 6.918 ( 3.845 0.212 -4.149) 5.661 7.076 ( 2.166 -5.141 1.026) 5.673 7.076 ( 2.166 5.141 1.026) 5.673 7.251 ( 4.255 -3.485 3.681) 6.619 7.251 ( 4.255 3.485 3.681) 6.619 7.401 ( -0.863 -5.489 4.573) 7.196 7.401 ( -0.863 5.489 4.573) 7.196 7.529 ( -3.612 -3.462 -5.378) 7.345 7.529 ( -3.612 3.462 -5.378) 7.345 7.767 ( 5.544 -2.732 -2.973) 6.859 7.767 ( 5.544 2.732 -2.973) 6.859 7.932 ( 6.595 -4.587 -7.820) 11.211 7.932 ( 6.595 4.587 -7.820) 11.211 8.164 ( 0.999 -3.779 5.236) 6.534 8.164 ( 0.999 3.779 5.236) 6.534 8.278 ( -4.101 -3.722 4.475) 7.121 8.278 ( -4.101 3.722 4.475) 7.121 8.503 ( 1.151 -3.265 -8.387) 9.074 8.503 ( 1.151 3.265 -8.387) 9.074 8.742 ( 5.900 -2.627 8.347) 10.554 8.742 ( 5.900 2.627 8.347) 10.554 9.118 ( 5.130 -2.787 4.578) 7.419 9.118 ( 5.130 2.787 4.578) 7.419 9.431 ( -1.697 -10.252 -5.410) 11.715 9.431 ( -1.697 10.252 -5.410) 11.715 9.541 ( 0.353 -2.786 -0.835) 2.930 9.541 ( 0.353 2.786 -0.835) 2.930 9.803 ( 9.791 -3.713 2.209) 10.702 9.803 ( 9.791 3.713 2.209) 10.702 10.126 ( -4.248 -3.852 -3.307) 6.620 10.126 ( -4.248 3.852 -3.307) 6.620 10.334 ( 9.490 -2.990 6.119) 11.681 10.334 ( 9.490 2.990 6.119) 11.681 10.647 ( -2.583 -2.254 6.224) 7.106 10.647 ( -2.583 2.254 6.224) 7.106 10.861 ( -3.475 -0.898 -4.489) 5.748 10.861 ( -3.475 0.898 -4.489) 5.748 11.714 ( 0.824 -0.272 2.788) 2.920 11.714 ( 0.824 0.272 2.788) 2.920 11.937 ( -2.768 -7.103 -3.549) 8.409 11.937 ( -2.768 7.103 -3.549) 8.409 12.700 ( 0.512 -0.781 0.376) 1.007 12.700 ( 0.512 0.781 0.376) 1.007 13.082 ( 2.264 -3.597 0.042) 4.250 13.082 ( 2.264 3.597 0.042) 4.250 13.359 ( 1.875 -3.443 -7.093) 8.104 13.359 ( 1.875 3.443 -7.093) 8.104 13.658 ( -0.578 -1.831 3.343) 3.855 13.658 ( -0.578 1.831 3.343) 3.855 13.921 ( -6.942 -1.929 -11.070) 13.208 13.921 ( -6.942 1.929 -11.070) 13.208 14.226 ( 12.303 -0.867 5.175) 13.375 14.226 ( 12.303 0.867 5.175) 13.375 14.847 ( -4.448 -3.209 2.770) 6.145 14.847 ( -4.448 3.209 2.770) 6.145 15.202 ( 2.552 -3.047 3.764) 5.474 15.202 ( 2.552 3.047 3.764) 5.474 15.309 ( -0.988 -3.066 -4.457) 5.499 15.309 ( -0.988 3.066 -4.457) 5.499 15.767 ( -2.170 -3.943 3.330) 5.598 15.767 ( -2.170 3.943 3.330) 5.598 15.943 ( -3.971 -2.232 -2.009) 4.979 15.943 ( -3.971 2.232 -2.009) 4.979 16.248 ( -6.265 -2.316 -1.422) 6.829 16.248 ( -6.265 2.316 -1.422) 6.829 19.323 ( 0.490 -2.155 -1.768) 2.830 19.323 ( 0.490 2.155 -1.768) 2.830 19.567 ( 2.621 -2.358 3.195) 4.758 19.567 ( 2.621 2.358 3.195) 4.758 24.877 ( -2.335 -0.276 -1.745) 2.928 24.877 ( -2.335 0.276 -1.745) 2.928 24.972 ( -1.979 -1.919 -1.512) 3.144 24.972 ( -1.979 1.919 -1.512) 3.144 26.322 ( -1.104 -2.098 0.895) 2.535 26.322 ( -1.104 2.098 0.895) 2.535 26.720 ( 0.413 -2.324 1.347) 2.717 26.720 ( 0.413 2.324 1.347) 2.717 27.686 ( -2.018 -1.877 -0.910) 2.902 27.686 ( -2.018 1.877 -0.910) 2.902 27.834 ( -0.852 -1.579 1.559) 2.377 27.834 ( -0.852 1.579 1.559) 2.377 27.866 ( 0.788 -1.086 1.016) 1.683 27.866 ( 0.788 1.086 1.016) 1.683 28.135 ( -2.708 -2.250 3.342) 4.854 28.135 ( -2.708 2.250 3.342) 4.854 28.248 ( -1.466 -2.455 -1.933) 3.451 28.248 ( -1.466 2.455 -1.933) 3.451 28.694 ( -2.347 -4.804 -0.396) 5.362 28.694 ( -2.347 4.804 -0.396) 5.362 28.839 ( 2.329 -7.915 -2.405) 8.594 28.839 ( 2.329 7.915 -2.405) 8.594 29.057 ( 4.629 -5.129 0.391) 6.920 29.057 ( 4.629 5.129 0.391) 6.920 29.911 ( -5.228 -2.082 -4.815) 7.406 29.911 ( -5.228 2.082 -4.815) 7.406 30.517 ( 10.532 -1.284 5.262) 11.843 30.517 ( 10.532 1.284 5.262) 11.843 ======================= Grid point 82 (44/72) ======================= q-point: (-0.14 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( -16.853 -14.555 2.637) 22.424 1.921 ( -16.853 14.556 2.637) 22.424 2.235 ( -11.360 -20.909 4.218) 24.167 2.235 ( -11.360 20.909 4.218) 24.167 2.475 ( -8.837 -12.773 -1.332) 15.589 2.475 ( -8.837 12.773 -1.332) 15.589 2.849 ( 4.548 -10.443 2.753) 11.718 2.849 ( 4.548 10.443 2.753) 11.718 3.501 ( 0.219 -20.905 8.781) 22.676 3.501 ( 0.219 20.905 8.781) 22.676 3.708 ( 1.666 -3.022 -1.223) 3.661 3.708 ( 1.666 3.022 -1.223) 3.661 3.872 ( 4.657 -5.371 -6.962) 9.950 3.872 ( 4.657 5.371 -6.962) 9.950 3.979 ( -0.702 -12.713 0.757) 12.755 3.979 ( -0.702 12.713 0.757) 12.755 4.146 ( -6.643 -3.308 -1.768) 7.629 4.146 ( -6.643 3.308 -1.768) 7.629 4.413 ( 0.024 -1.380 -1.823) 2.286 4.413 ( 0.024 1.380 -1.823) 2.286 4.679 ( -0.796 -1.539 3.462) 3.871 4.679 ( -0.796 1.539 3.462) 3.871 4.799 ( -5.741 -1.417 -4.077) 7.182 4.799 ( -5.741 1.417 -4.077) 7.182 4.950 ( 0.110 -5.597 0.883) 5.667 4.950 ( 0.110 5.597 0.883) 5.667 5.147 ( 4.861 -7.858 0.207) 9.243 5.147 ( 4.861 7.858 0.207) 9.243 5.305 ( -12.153 -3.544 2.173) 12.844 5.305 ( -12.153 3.544 2.173) 12.844 5.450 ( -7.118 -4.264 5.763) 10.102 5.450 ( -7.118 4.264 5.763) 10.102 5.577 ( 0.551 -6.157 -7.963) 10.081 5.577 ( 0.551 6.157 -7.963) 10.081 5.692 ( 1.004 -7.821 -2.320) 8.219 5.692 ( 1.004 7.821 -2.320) 8.219 5.919 ( 1.455 -4.331 -0.860) 4.650 5.919 ( 1.455 4.331 -0.860) 4.650 6.230 ( -2.006 -0.712 2.613) 3.371 6.230 ( -2.006 0.712 2.613) 3.371 6.425 ( -0.241 -4.670 1.723) 4.983 6.425 ( -0.241 4.670 1.723) 4.983 6.712 ( 1.160 -7.896 1.191) 8.069 6.712 ( 1.160 7.896 1.191) 8.069 6.768 ( 1.244 -5.926 -1.891) 6.344 6.768 ( 1.244 5.926 -1.891) 6.344 6.953 ( 3.526 -4.348 0.045) 5.598 6.953 ( 3.526 4.348 0.045) 5.598 7.121 ( 0.598 -4.112 1.606) 4.454 7.121 ( 0.598 4.112 1.606) 4.454 7.310 ( -6.138 -4.907 -2.382) 8.211 7.310 ( -6.138 4.907 -2.382) 8.211 7.379 ( -0.211 -8.139 1.283) 8.243 7.379 ( -0.211 8.139 1.283) 8.243 7.483 ( 5.079 -7.253 1.059) 8.918 7.483 ( 5.079 7.253 1.059) 8.918 7.818 ( 1.771 -6.354 -2.754) 7.148 7.818 ( 1.771 6.354 -2.754) 7.148 7.933 ( 2.083 -4.890 -4.527) 6.982 7.933 ( 2.083 4.890 -4.527) 6.982 8.215 ( 0.449 -2.907 0.684) 3.020 8.215 ( 0.449 2.907 0.684) 3.020 8.265 ( -0.964 -3.792 3.179) 5.041 8.265 ( -0.964 3.792 3.179) 5.041 8.486 ( 5.696 -4.756 -7.049) 10.235 8.486 ( 5.696 4.756 -7.049) 10.235 8.883 ( 0.609 -3.082 3.247) 4.518 8.883 ( 0.609 3.082 3.247) 4.518 9.198 ( 1.908 -3.615 0.267) 4.096 9.198 ( 1.908 3.615 0.267) 4.096 9.332 ( -0.308 -5.700 -4.003) 6.972 9.332 ( -0.308 5.700 -4.003) 6.972 9.651 ( 5.085 -4.573 1.288) 6.959 9.651 ( 5.085 4.573 1.288) 6.959 9.864 ( -4.307 -4.054 -1.551) 6.115 9.864 ( -4.307 4.054 -1.551) 6.115 10.123 ( 5.985 -2.708 2.924) 7.191 10.123 ( 5.985 2.708 2.924) 7.191 10.541 ( 7.150 -0.864 3.552) 8.030 10.541 ( 7.150 0.864 3.552) 8.030 10.657 ( -3.404 -3.153 -2.002) 5.053 10.657 ( -3.404 3.153 -2.002) 5.053 10.801 ( -2.099 -2.476 3.412) 4.709 10.801 ( -2.099 2.476 3.412) 4.709 11.743 ( -2.651 -7.058 -3.448) 8.291 11.743 ( -2.651 7.058 -3.448) 8.291 11.905 ( 3.311 -5.408 4.086) 7.543 11.905 ( 3.311 5.408 4.086) 7.543 12.805 ( 8.927 -1.402 5.743) 10.707 12.805 ( 8.927 1.402 5.743) 10.707 13.073 ( -1.894 -2.371 -4.523) 5.446 13.073 ( -1.894 2.371 -4.523) 5.446 13.209 ( -5.572 -2.386 -7.406) 9.570 13.209 ( -5.572 2.386 -7.406) 9.570 13.638 ( -0.371 -1.379 -1.459) 2.041 13.638 ( -0.371 1.379 -1.459) 2.041 13.763 ( -3.322 -1.926 0.860) 3.935 13.763 ( -3.322 1.926 0.860) 3.935 14.376 ( 3.576 -1.290 0.187) 3.807 14.376 ( 3.576 1.290 0.187) 3.807 14.888 ( 2.158 -1.323 2.899) 3.849 14.888 ( 2.158 1.323 2.899) 3.849 15.246 ( -0.580 -4.803 -4.290) 6.466 15.246 ( -0.580 4.803 -4.290) 6.466 15.340 ( 3.700 -1.709 6.032) 7.280 15.340 ( 3.700 1.709 6.032) 7.280 15.719 ( -5.919 -2.588 0.612) 6.489 15.719 ( -5.919 2.588 0.612) 6.489 15.853 ( -2.335 -2.423 -1.158) 3.558 15.853 ( -2.335 2.423 -1.158) 3.558 16.120 ( -5.209 -0.440 -0.261) 5.234 16.120 ( -5.209 0.440 -0.261) 5.234 19.285 ( 0.081 -1.092 -2.453) 2.686 19.285 ( 0.081 1.092 -2.453) 2.686 19.673 ( 2.517 -4.671 1.831) 5.613 19.673 ( 2.517 4.671 1.831) 5.613 24.827 ( -1.554 -0.520 0.532) 1.723 24.827 ( -1.554 0.520 0.532) 1.723 24.937 ( -1.224 -2.145 0.560) 2.532 24.937 ( -1.224 2.145 0.560) 2.532 26.306 ( -1.316 -2.377 0.591) 2.781 26.306 ( -1.316 2.377 0.591) 2.781 26.726 ( -0.009 -2.252 -1.140) 2.524 26.726 ( -0.009 2.252 -1.140) 2.524 27.623 ( -1.938 -3.502 -0.903) 4.103 27.623 ( -1.938 3.502 -0.903) 4.103 27.832 ( -0.171 -1.563 1.437) 2.130 27.832 ( -0.171 1.563 1.437) 2.130 27.907 ( -0.391 -0.797 3.208) 3.328 27.907 ( -0.391 0.797 3.208) 3.328 28.115 ( -2.240 -1.771 2.311) 3.673 28.115 ( -2.240 1.771 2.311) 3.673 28.233 ( 0.140 -1.860 0.898) 2.070 28.233 ( 0.140 1.860 0.898) 2.070 28.635 ( -3.077 -4.959 -0.146) 5.838 28.635 ( -3.077 4.959 -0.146) 5.838 28.872 ( 2.753 -9.336 -1.510) 9.850 28.872 ( 2.753 9.336 -1.510) 9.850 29.162 ( 4.566 -3.663 0.815) 5.911 29.162 ( 4.566 3.663 0.815) 5.911 29.775 ( -3.050 -1.621 -2.273) 4.134 29.775 ( -3.050 1.621 -2.273) 4.134 30.706 ( 6.297 -1.958 -3.021) 7.254 30.706 ( 6.297 1.958 -3.021) 7.254 ======================= Grid point 98 (45/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -3.848 0.000 36.080) 36.285 1.930 ( -1.221 0.000 31.685) 31.708 2.207 ( 8.894 0.000 7.437) 11.593 2.284 ( 0.922 0.000 0.397) 1.003 2.500 ( -5.721 0.000 -2.913) 6.420 2.642 ( 11.234 0.000 -7.530) 13.524 2.742 ( 9.010 0.000 20.708) 22.584 2.903 ( 12.655 0.000 -7.123) 14.522 3.020 ( -11.482 0.000 1.850) 11.630 3.319 ( -14.787 0.000 -16.733) 22.330 3.395 ( -0.343 0.000 -1.026) 1.081 3.529 ( 11.103 0.000 1.373) 11.188 3.617 ( -5.559 0.000 -9.315) 10.847 3.879 ( -1.251 0.000 -20.856) 20.894 3.966 ( 3.811 0.000 3.588) 5.234 4.079 ( -10.628 0.000 -7.040) 12.748 4.280 ( 8.412 0.000 6.018) 10.343 4.298 ( 7.963 0.000 -2.041) 8.220 4.321 ( -6.991 0.000 3.096) 7.646 4.475 ( -5.186 0.000 -8.249) 9.744 4.537 ( -10.201 0.000 16.345) 19.267 4.590 ( 8.241 0.000 -5.587) 9.956 4.660 ( -0.752 0.000 -4.145) 4.212 4.800 ( 5.672 0.000 5.919) 8.198 4.873 ( 5.277 0.000 -1.746) 5.558 4.947 ( 0.487 0.000 1.195) 1.291 4.990 ( -5.565 0.000 -0.592) 5.596 5.052 ( -3.532 0.000 -8.111) 8.847 5.160 ( -0.424 0.000 -7.480) 7.492 5.209 ( 3.422 0.000 -11.131) 11.645 5.547 ( 3.944 0.000 6.659) 7.739 5.567 ( -1.492 0.000 4.110) 4.372 5.663 ( -0.830 0.000 8.324) 8.365 5.708 ( -5.761 0.000 1.571) 5.971 5.805 ( -3.277 0.000 13.973) 14.352 5.819 ( -0.814 0.000 0.633) 1.031 5.916 ( 4.937 0.000 2.155) 5.387 6.038 ( -3.776 0.000 5.269) 6.483 6.167 ( 9.342 0.000 -4.418) 10.334 6.294 ( 4.579 0.000 1.874) 4.947 6.311 ( -6.865 0.000 -15.367) 16.830 6.358 ( -0.655 0.000 -4.246) 4.296 6.569 ( 3.055 0.000 1.984) 3.643 6.576 ( 1.650 0.000 2.347) 2.869 6.723 ( -4.400 0.000 4.650) 6.402 6.749 ( -6.709 0.000 4.562) 8.113 6.901 ( 5.212 0.000 -7.871) 9.441 6.977 ( 1.929 0.000 -14.019) 14.151 7.025 ( 0.522 0.000 6.579) 6.600 7.119 ( 1.475 0.000 -1.005) 1.785 7.307 ( 0.294 0.000 -4.529) 4.539 7.312 ( -0.943 0.000 -1.736) 1.975 7.499 ( 0.135 0.000 4.713) 4.715 7.542 ( 0.477 0.000 2.093) 2.147 7.668 ( -11.068 0.000 2.274) 11.300 7.741 ( 8.350 0.000 -0.172) 8.352 7.793 ( 5.418 0.000 4.960) 7.345 7.868 ( -6.468 0.000 -1.944) 6.753 8.020 ( 14.405 0.000 13.700) 19.879 8.140 ( 0.097 0.000 3.685) 3.687 8.194 ( -0.181 0.000 1.659) 1.668 8.230 ( 2.850 0.000 -0.503) 2.894 8.298 ( 0.920 0.000 -3.313) 3.438 8.413 ( -17.764 0.000 -18.712) 25.801 8.496 ( 1.023 0.000 0.826) 1.315 8.528 ( -3.934 0.000 -2.031) 4.428 8.846 ( 14.644 0.000 10.838) 18.218 9.049 ( -14.454 0.000 -4.168) 15.043 9.165 ( 8.202 0.000 2.191) 8.490 9.193 ( 0.967 0.000 0.490) 1.084 9.207 ( -2.902 0.000 -0.491) 2.943 9.229 ( -7.451 0.000 -7.642) 10.674 9.615 ( -5.773 0.000 5.727) 8.131 9.656 ( 1.189 0.000 -0.295) 1.225 9.733 ( 8.031 0.000 1.215) 8.123 9.914 ( -11.470 0.000 -13.019) 17.350 9.969 ( -2.538 0.000 1.221) 2.816 10.024 ( 2.462 0.000 -2.809) 3.735 10.405 ( 5.184 0.000 2.618) 5.807 10.448 ( -7.995 0.000 -1.598) 8.153 10.540 ( -1.495 0.000 5.725) 5.917 10.548 ( 7.441 0.000 3.078) 8.053 10.788 ( -7.954 0.000 0.162) 7.956 10.850 ( 6.966 0.000 -3.612) 7.847 11.539 ( 2.761 0.000 10.394) 10.754 11.772 ( -0.049 0.000 -8.582) 8.582 12.082 ( -10.358 0.000 0.865) 10.394 12.108 ( 9.734 0.000 -0.061) 9.734 12.801 ( -0.340 0.000 -1.246) 1.292 12.810 ( -1.256 0.000 -2.326) 2.644 13.018 ( 2.122 0.000 0.938) 2.320 13.051 ( -4.525 0.000 -1.584) 4.795 13.359 ( -3.798 0.000 -0.079) 3.798 13.376 ( 5.054 0.000 -1.412) 5.247 13.735 ( 0.916 0.000 1.338) 1.622 13.742 ( -0.549 0.000 1.010) 1.150 14.207 ( 15.810 0.000 11.353) 19.464 14.386 ( -7.720 0.000 -4.101) 8.742 14.408 ( 34.644 0.000 15.385) 37.906 14.614 ( 4.323 0.000 3.911) 5.829 14.705 ( -4.300 0.000 -8.293) 9.341 14.730 ( -16.420 0.000 -7.167) 17.916 14.882 ( -13.535 0.000 -0.456) 13.543 14.982 ( 1.526 0.000 -7.390) 7.546 15.341 ( -2.027 0.000 3.572) 4.107 15.468 ( 4.129 0.000 -7.145) 8.252 15.658 ( -0.459 0.000 4.164) 4.189 15.759 ( -2.241 0.000 -4.641) 5.154 15.821 ( -0.109 0.000 3.469) 3.471 15.878 ( -2.251 0.000 -1.648) 2.790 16.116 ( 4.272 0.000 5.791) 7.196 16.218 ( -0.667 0.000 -3.263) 3.331 19.180 ( 6.374 0.000 5.712) 8.559 19.314 ( -6.461 0.000 -6.148) 8.918 19.504 ( 6.518 0.000 6.972) 9.544 19.660 ( -6.470 0.000 -6.938) 9.486 24.884 ( -0.007 0.000 2.048) 2.048 24.902 ( 0.938 0.000 0.474) 1.051 25.064 ( -4.646 0.000 2.955) 5.506 25.122 ( 10.813 0.000 -2.059) 11.007 26.232 ( 0.149 0.000 2.325) 2.330 26.299 ( -0.089 0.000 -3.685) 3.686 26.594 ( -3.318 0.000 0.855) 3.426 26.630 ( 1.813 0.000 -2.201) 2.851 27.631 ( 4.276 0.000 1.671) 4.591 27.659 ( -2.188 0.000 -0.893) 2.364 27.777 ( 5.933 0.000 0.650) 5.969 27.804 ( -5.853 0.000 -1.705) 6.096 27.910 ( 3.082 0.000 3.584) 4.727 27.974 ( -2.233 0.000 -2.100) 3.066 28.041 ( 4.076 0.000 3.323) 5.259 28.111 ( -4.346 0.000 -3.461) 5.556 28.416 ( -4.552 0.000 4.922) 6.704 28.477 ( 6.813 0.000 0.406) 6.825 28.602 ( 5.214 0.000 2.253) 5.680 28.701 ( -5.944 0.000 -6.843) 9.064 28.917 ( -2.566 0.000 3.616) 4.434 28.962 ( 1.238 0.000 -0.553) 1.356 29.231 ( -1.938 0.000 -1.491) 2.445 29.255 ( 3.398 0.000 -2.910) 4.474 29.800 ( 19.363 0.000 5.617) 20.161 29.922 ( -25.512 0.000 -3.842) 25.799 30.101 ( -1.221 0.000 12.120) 12.181 30.401 ( -2.080 0.000 -13.475) 13.635 ======================= Grid point 99 (46/72) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 8.701 0.000 28.358) 29.663 2.181 ( 8.249 0.000 12.807) 15.233 2.271 ( 13.541 0.000 -28.907) 31.921 2.304 ( -1.830 0.000 -35.479) 35.527 2.388 ( -1.356 0.000 8.935) 9.037 2.740 ( 7.288 0.000 8.834) 11.452 2.775 ( -4.027 0.000 -7.472) 8.488 2.848 ( 9.656 0.000 -11.523) 15.034 3.307 ( -6.967 0.000 -0.224) 6.971 3.373 ( -0.030 0.000 5.858) 5.858 3.395 ( 11.926 0.000 -4.846) 12.873 3.491 ( 16.068 0.000 25.837) 30.426 3.753 ( -0.839 0.000 9.556) 9.593 3.777 ( 5.999 0.000 -15.786) 16.888 3.874 ( 3.995 0.000 -10.759) 11.477 4.116 ( 9.285 0.000 11.230) 14.571 4.234 ( -2.938 0.000 -1.599) 3.345 4.272 ( -1.859 0.000 -11.417) 11.567 4.335 ( -6.701 0.000 1.355) 6.837 4.426 ( 3.595 0.000 0.756) 3.673 4.564 ( 5.909 0.000 6.606) 8.863 4.663 ( 4.867 0.000 -6.166) 7.856 4.740 ( -0.912 0.000 5.319) 5.397 4.825 ( -1.843 0.000 -4.179) 4.567 4.877 ( 8.950 0.000 -6.352) 10.975 4.947 ( -0.265 0.000 2.024) 2.041 4.999 ( 0.946 0.000 4.973) 5.063 5.076 ( 4.244 0.000 7.431) 8.557 5.218 ( 8.755 0.000 -6.496) 10.902 5.220 ( 11.386 0.000 -2.392) 11.635 5.493 ( -4.158 0.000 2.432) 4.817 5.598 ( -0.585 0.000 2.083) 2.163 5.647 ( -7.871 0.000 -0.806) 7.912 5.725 ( -2.707 0.000 5.154) 5.822 5.784 ( -1.911 0.000 0.072) 1.912 5.914 ( 5.881 0.000 0.283) 5.888 6.019 ( -4.727 0.000 -3.771) 6.047 6.042 ( -4.104 0.000 16.203) 16.714 6.072 ( 0.410 0.000 -2.067) 2.107 6.231 ( 3.572 0.000 -11.257) 11.810 6.301 ( 2.728 0.000 -8.760) 9.175 6.398 ( 0.656 0.000 2.365) 2.454 6.545 ( -4.590 0.000 -5.433) 7.112 6.570 ( 1.469 0.000 2.227) 2.668 6.708 ( -2.387 0.000 8.772) 9.091 6.715 ( -5.137 0.000 6.063) 7.946 6.933 ( 3.666 0.000 -8.660) 9.404 6.941 ( 3.856 0.000 -4.181) 5.687 7.106 ( 1.927 0.000 -3.788) 4.250 7.134 ( 1.385 0.000 -2.417) 2.785 7.156 ( -9.408 0.000 5.700) 11.000 7.268 ( -4.268 0.000 2.318) 4.857 7.467 ( -10.812 0.000 2.654) 11.133 7.474 ( -6.022 0.000 -1.335) 6.169 7.540 ( -1.237 0.000 -1.962) 2.320 7.749 ( -2.428 0.000 -1.393) 2.800 7.789 ( -2.465 0.000 -0.751) 2.577 7.934 ( 3.851 0.000 4.176) 5.681 7.937 ( -14.514 0.000 -12.280) 19.012 8.103 ( -6.817 0.000 0.646) 6.848 8.163 ( -3.024 0.000 -4.343) 5.292 8.207 ( -4.431 0.000 0.640) 4.477 8.237 ( -0.910 0.000 -1.727) 1.952 8.383 ( 0.074 0.000 14.949) 14.949 8.473 ( -2.747 0.000 1.360) 3.065 8.677 ( 19.266 0.000 5.394) 20.007 8.702 ( -11.331 0.000 -4.700) 12.267 9.012 ( -6.183 0.000 0.898) 6.247 9.022 ( -5.223 0.000 -4.566) 6.937 9.299 ( 3.206 0.000 -2.655) 4.162 9.309 ( 7.393 0.000 5.475) 9.200 9.396 ( 14.947 0.000 6.351) 16.241 9.543 ( -14.419 0.000 -8.171) 16.573 9.597 ( 1.574 0.000 7.367) 7.533 9.839 ( 12.448 0.000 2.990) 12.802 9.878 ( -3.566 0.000 5.597) 6.636 9.969 ( 2.006 0.000 6.851) 7.138 10.027 ( 1.662 0.000 -2.527) 3.025 10.314 ( -7.841 0.000 -1.283) 7.945 10.521 ( 3.310 0.000 -0.284) 3.322 10.542 ( 4.393 0.000 2.410) 5.011 10.702 ( 8.639 0.000 -3.435) 9.297 10.775 ( 3.046 0.000 3.482) 4.626 10.975 ( 9.900 0.000 -4.721) 10.968 11.610 ( -4.059 0.000 -10.800) 11.537 11.672 ( -0.429 0.000 7.449) 7.461 11.948 ( -5.880 0.000 1.688) 6.118 12.259 ( 7.653 0.000 -1.501) 7.799 12.790 ( -1.355 0.000 1.292) 1.873 12.805 ( 1.085 0.000 0.277) 1.120 13.009 ( 1.553 0.000 3.121) 3.486 13.121 ( 5.951 0.000 1.493) 6.136 13.275 ( -5.918 0.000 -2.158) 6.299 13.430 ( 3.367 0.000 -0.536) 3.409 13.619 ( -21.868 0.000 -9.656) 23.905 13.694 ( -4.055 0.000 -0.355) 4.070 13.924 ( -16.485 0.000 -9.505) 19.028 14.146 ( -18.789 0.000 -12.797) 22.733 14.373 ( -4.553 0.000 0.778) 4.619 14.595 ( -2.713 0.000 -3.621) 4.525 14.625 ( -4.141 0.000 3.051) 5.144 14.874 ( 8.872 0.000 5.356) 10.364 14.921 ( 1.953 0.000 6.487) 6.774 15.244 ( 19.868 0.000 1.151) 19.901 15.353 ( -0.608 0.000 4.398) 4.440 15.427 ( 1.312 0.000 -5.758) 5.905 15.685 ( -2.544 0.000 -2.548) 3.601 15.761 ( 4.935 0.000 5.377) 7.298 15.880 ( 4.315 0.000 -1.581) 4.595 15.892 ( 2.881 0.000 5.226) 5.967 16.158 ( 0.217 0.000 -7.697) 7.701 16.233 ( 3.551 0.000 2.834) 4.543 19.175 ( -1.554 0.000 -5.626) 5.837 19.390 ( 8.408 0.000 5.354) 9.968 19.460 ( -6.432 0.000 -6.248) 8.968 19.683 ( 4.402 0.000 6.149) 7.562 24.909 ( 1.352 0.000 0.372) 1.402 24.929 ( 2.388 0.000 -1.789) 2.984 24.990 ( -3.989 0.000 -1.420) 4.234 25.221 ( 5.232 0.000 -6.695) 8.497 26.275 ( 1.171 0.000 -2.570) 2.824 26.281 ( 2.023 0.000 2.049) 2.879 26.562 ( -2.035 0.000 3.171) 3.768 26.652 ( 2.034 0.000 -0.523) 2.100 27.574 ( -4.050 0.000 -2.877) 4.968 27.673 ( 0.084 0.000 0.463) 0.471 27.703 ( -3.033 0.000 -0.915) 3.168 27.869 ( 1.416 0.000 2.804) 3.141 27.923 ( -0.541 0.000 -2.314) 2.377 28.008 ( -3.199 0.000 -2.603) 4.124 28.015 ( 4.282 0.000 0.182) 4.286 28.172 ( 6.378 0.000 2.389) 6.810 28.355 ( -4.970 0.000 1.689) 5.249 28.511 ( -7.020 0.000 -5.659) 9.017 28.587 ( 6.199 0.000 -2.855) 6.825 28.703 ( 1.336 0.000 4.904) 5.083 28.901 ( -4.304 0.000 3.051) 5.276 28.981 ( 1.709 0.000 -0.303) 1.735 29.198 ( -0.321 0.000 -0.331) 0.461 29.304 ( 5.219 0.000 -2.515) 5.794 29.469 ( -16.786 0.000 0.453) 16.792 30.186 ( -6.026 0.000 -12.083) 13.502 30.219 ( 15.045 0.000 9.093) 17.579 30.246 ( -1.095 0.000 14.020) 14.063 ======================= Grid point 100 (47/72) ======================= q-point: ( 0.29 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 7.500 0.000 -31.471) 32.352 2.242 ( 18.409 0.000 -29.294) 34.598 2.414 ( 10.821 0.000 -0.484) 10.832 2.559 ( 9.899 0.000 14.720) 17.739 2.703 ( 2.309 0.000 22.529) 22.647 2.714 ( 15.238 0.000 -6.093) 16.411 2.739 ( -9.020 0.000 -3.395) 9.638 3.133 ( 8.662 0.000 8.951) 12.456 3.204 ( 7.903 0.000 7.244) 10.720 3.425 ( -12.226 0.000 8.500) 14.890 3.586 ( -4.182 0.000 8.220) 9.223 3.629 ( 11.910 0.000 -3.064) 12.298 3.683 ( -8.199 0.000 2.126) 8.471 3.786 ( -11.536 0.000 16.013) 19.736 4.033 ( 28.031 0.000 -23.975) 36.885 4.152 ( -0.717 0.000 -8.525) 8.555 4.169 ( 1.462 0.000 -10.721) 10.820 4.300 ( 1.893 0.000 0.140) 1.898 4.464 ( 7.420 0.000 -13.954) 15.804 4.536 ( 15.307 0.000 10.754) 18.708 4.582 ( -0.219 0.000 -7.287) 7.290 4.679 ( 0.441 0.000 3.845) 3.870 4.691 ( 2.945 0.000 -4.069) 5.023 4.825 ( 0.046 0.000 -3.969) 3.970 4.952 ( 2.090 0.000 -1.241) 2.431 5.040 ( 9.921 0.000 -4.423) 10.862 5.254 ( 0.535 0.000 -3.142) 3.187 5.323 ( 10.840 0.000 7.644) 13.264 5.334 ( 12.018 0.000 26.755) 29.330 5.453 ( 15.194 0.000 1.834) 15.304 5.466 ( -4.058 0.000 4.824) 6.303 5.624 ( -0.352 0.000 1.625) 1.663 5.656 ( 6.616 0.000 10.555) 12.457 5.681 ( -2.386 0.000 -0.298) 2.405 5.735 ( -0.888 0.000 -4.493) 4.580 5.876 ( -6.822 0.000 -5.241) 8.602 5.905 ( -1.835 0.000 -9.257) 9.438 6.050 ( -9.371 0.000 8.594) 12.715 6.076 ( 1.450 0.000 -2.579) 2.959 6.113 ( -5.604 0.000 -1.020) 5.696 6.332 ( 8.938 0.000 -9.547) 13.078 6.335 ( -11.204 0.000 -1.984) 11.378 6.423 ( -4.276 0.000 2.654) 5.032 6.624 ( -1.430 0.000 1.214) 1.876 6.666 ( -3.376 0.000 -0.430) 3.403 6.750 ( -11.490 0.000 -6.237) 13.074 6.766 ( -0.871 0.000 4.545) 4.628 6.868 ( -2.440 0.000 -3.849) 4.557 7.035 ( 3.229 0.000 7.722) 8.370 7.053 ( -7.885 0.000 -4.063) 8.870 7.229 ( -1.000 0.000 6.173) 6.254 7.301 ( -4.050 0.000 -1.637) 4.368 7.318 ( -3.431 0.000 -6.305) 7.178 7.375 ( 6.178 0.000 7.599) 9.793 7.536 ( 0.097 0.000 0.987) 0.992 7.622 ( -5.740 0.000 -4.345) 7.199 7.693 ( -4.806 0.000 -2.314) 5.334 7.779 ( 0.549 0.000 -0.864) 1.024 7.890 ( -7.720 0.000 -4.710) 9.043 8.018 ( -5.388 0.000 -4.415) 6.966 8.074 ( -0.151 0.000 7.333) 7.335 8.132 ( -2.361 0.000 -0.977) 2.555 8.212 ( -1.438 0.000 -2.192) 2.621 8.417 ( -6.705 0.000 10.268) 12.264 8.437 ( -2.765 0.000 2.487) 3.719 8.567 ( -3.476 0.000 2.062) 4.042 8.813 ( -0.479 0.000 -16.127) 16.134 9.060 ( 5.626 0.000 6.987) 8.970 9.108 ( 7.899 0.000 6.392) 10.161 9.197 ( -12.797 0.000 -7.379) 14.772 9.328 ( -4.655 0.000 3.627) 5.901 9.348 ( 4.247 0.000 1.719) 4.581 9.576 ( 2.164 0.000 2.250) 3.122 9.731 ( -7.356 0.000 -0.644) 7.384 9.888 ( 3.767 0.000 6.594) 7.594 10.034 ( 1.850 0.000 1.599) 2.445 10.069 ( -1.177 0.000 8.941) 9.018 10.097 ( 8.989 0.000 0.953) 9.039 10.261 ( -0.308 0.000 7.111) 7.118 10.512 ( -4.264 0.000 -6.835) 8.056 10.658 ( 6.423 0.000 2.004) 6.728 10.829 ( 7.601 0.000 -3.472) 8.356 10.857 ( 4.094 0.000 -1.521) 4.367 11.036 ( 5.918 0.000 -11.691) 13.104 11.480 ( 0.029 0.000 -4.951) 4.951 11.662 ( -4.396 0.000 1.952) 4.810 11.941 ( 1.465 0.000 5.317) 5.515 12.358 ( 2.306 0.000 -1.545) 2.775 12.768 ( -5.152 0.000 0.475) 5.173 12.808 ( -0.492 0.000 -1.653) 1.724 12.970 ( -14.022 0.000 -7.175) 15.751 13.054 ( -3.550 0.000 -3.331) 4.868 13.242 ( 6.740 0.000 -0.873) 6.796 13.248 ( 9.092 0.000 6.354) 11.092 13.481 ( 1.562 0.000 -0.374) 1.606 13.599 ( -5.398 0.000 -2.431) 5.920 13.755 ( -4.959 0.000 -2.277) 5.457 13.860 ( -6.204 0.000 -1.273) 6.333 14.203 ( -8.854 0.000 -2.633) 9.237 14.522 ( -8.391 0.000 -0.886) 8.437 14.571 ( 3.141 0.000 0.532) 3.186 15.001 ( -1.073 0.000 7.030) 7.111 15.048 ( 3.780 0.000 3.547) 5.184 15.295 ( -0.779 0.000 -5.506) 5.561 15.405 ( 0.831 0.000 3.573) 3.668 15.526 ( 4.773 0.000 -3.020) 5.648 15.605 ( -2.556 0.000 -2.562) 3.618 15.892 ( -0.997 0.000 2.411) 2.609 15.952 ( 2.305 0.000 -2.314) 3.266 15.991 ( 6.977 0.000 1.981) 7.252 16.167 ( 8.146 0.000 1.083) 8.218 16.296 ( 1.320 0.000 0.507) 1.414 19.148 ( 2.550 0.000 -1.277) 2.852 19.343 ( -0.803 0.000 -2.470) 2.597 19.527 ( 2.436 0.000 0.102) 2.439 19.754 ( -1.522 0.000 1.474) 2.119 24.908 ( -1.298 0.000 -3.689) 3.911 24.942 ( 2.357 0.000 -4.294) 4.898 24.945 ( 2.473 0.000 -0.528) 2.529 25.199 ( 0.658 0.000 -6.859) 6.890 26.288 ( 2.070 0.000 -0.928) 2.268 26.323 ( 0.460 0.000 1.321) 1.399 26.595 ( 0.780 0.000 5.032) 5.092 26.689 ( 1.731 0.000 0.886) 1.944 27.507 ( -0.090 0.000 -1.527) 1.530 27.661 ( -1.480 0.000 -0.054) 1.481 27.687 ( 0.790 0.000 2.424) 2.550 27.890 ( -2.434 0.000 3.213) 4.031 27.904 ( 0.965 0.000 -2.876) 3.034 27.952 ( -0.812 0.000 -0.046) 0.814 28.034 ( -2.023 0.000 0.327) 2.049 28.266 ( 1.792 0.000 -1.982) 2.672 28.311 ( 0.561 0.000 -0.033) 0.562 28.354 ( -4.382 0.000 -3.718) 5.746 28.632 ( 3.934 0.000 -6.287) 7.416 28.698 ( -8.725 0.000 2.116) 8.978 28.858 ( -1.073 0.000 5.461) 5.565 29.017 ( 1.768 0.000 0.714) 1.907 29.213 ( 2.725 0.000 -2.082) 3.429 29.351 ( -1.878 0.000 7.270) 7.508 29.382 ( 6.381 0.000 -4.481) 7.798 29.950 ( -6.163 0.000 -9.592) 11.401 30.331 ( -3.747 0.000 11.242) 11.850 30.475 ( 3.051 0.000 6.740) 7.398 ======================= Grid point 101 (48/72) ======================= q-point: ( 0.43 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 24.509 0.000 -3.234) 24.721 2.316 ( 15.623 0.000 -19.705) 25.147 2.329 ( -18.729 0.000 0.342) 18.732 2.576 ( 5.074 0.000 -4.740) 6.944 2.752 ( -0.389 0.000 4.288) 4.305 2.894 ( 3.757 0.000 2.426) 4.472 3.139 ( -17.594 0.000 10.537) 20.508 3.161 ( 14.928 0.000 10.691) 18.361 3.293 ( 3.144 0.000 1.066) 3.320 3.432 ( 5.088 0.000 1.986) 5.462 3.615 ( 1.837 0.000 9.259) 9.439 3.706 ( -9.022 0.000 10.330) 13.715 3.765 ( 3.277 0.000 13.744) 14.129 3.846 ( 6.943 0.000 6.692) 9.643 4.019 ( -2.997 0.000 -12.450) 12.806 4.050 ( 0.118 0.000 -9.021) 9.022 4.236 ( 7.394 0.000 -7.991) 10.886 4.271 ( -3.792 0.000 -7.689) 8.573 4.462 ( 18.521 0.000 -23.482) 29.907 4.489 ( -6.486 0.000 1.346) 6.625 4.679 ( 5.448 0.000 -4.183) 6.868 4.701 ( -2.332 0.000 9.276) 9.565 4.874 ( -6.205 0.000 -4.511) 7.672 4.986 ( 16.537 0.000 7.736) 18.257 5.018 ( 12.213 0.000 -2.093) 12.391 5.095 ( 10.272 0.000 -8.124) 13.097 5.229 ( -4.912 0.000 0.608) 4.950 5.348 ( -15.645 0.000 0.747) 15.662 5.442 ( -15.073 0.000 -6.493) 16.412 5.450 ( -5.232 0.000 0.972) 5.321 5.540 ( 2.800 0.000 4.901) 5.645 5.582 ( -5.987 0.000 4.087) 7.249 5.699 ( 1.016 0.000 -3.919) 4.048 5.718 ( 3.943 0.000 -2.506) 4.671 5.787 ( 6.027 0.000 -7.920) 9.953 5.846 ( -3.633 0.000 -5.662) 6.728 5.912 ( 5.314 0.000 7.977) 9.585 5.913 ( -5.575 0.000 8.833) 10.445 6.043 ( -1.660 0.000 -3.258) 3.657 6.066 ( -3.905 0.000 9.415) 10.193 6.285 ( 10.024 0.000 2.687) 10.378 6.383 ( -2.229 0.000 5.526) 5.959 6.450 ( 6.875 0.000 -4.087) 7.998 6.593 ( -1.236 0.000 -2.466) 2.759 6.643 ( 2.803 0.000 8.145) 8.614 6.705 ( -6.126 0.000 1.545) 6.318 6.711 ( 6.354 0.000 -3.673) 7.339 6.786 ( -6.733 0.000 3.143) 7.430 6.971 ( 5.550 0.000 -0.416) 5.566 7.119 ( -4.536 0.000 3.562) 5.767 7.191 ( -1.190 0.000 -4.765) 4.912 7.235 ( 0.447 0.000 -3.920) 3.945 7.317 ( 1.812 0.000 5.298) 5.599 7.458 ( -2.197 0.000 -2.177) 3.092 7.539 ( 3.425 0.000 -0.714) 3.499 7.585 ( -2.639 0.000 -5.262) 5.887 7.665 ( 0.084 0.000 1.648) 1.650 7.717 ( -5.371 0.000 -2.826) 6.069 7.747 ( -0.057 0.000 6.553) 6.553 7.958 ( -0.614 0.000 6.037) 6.068 8.097 ( -1.040 0.000 -6.723) 6.803 8.158 ( -4.383 0.000 8.877) 9.900 8.183 ( 7.992 0.000 2.505) 8.375 8.402 ( -3.802 0.000 5.518) 6.701 8.461 ( 1.618 0.000 5.477) 5.711 8.546 ( -1.875 0.000 0.491) 1.938 8.595 ( -3.542 0.000 -18.108) 18.452 8.987 ( -2.464 0.000 -1.137) 2.713 9.039 ( -13.115 0.000 -11.669) 17.555 9.197 ( -8.310 0.000 -1.783) 8.499 9.283 ( 8.601 0.000 6.000) 10.487 9.515 ( 8.472 0.000 7.754) 11.485 9.543 ( -5.416 0.000 -4.578) 7.091 9.692 ( 3.372 0.000 8.126) 8.798 9.893 ( -7.923 0.000 0.110) 7.924 10.049 ( -1.980 0.000 -1.959) 2.785 10.145 ( 3.392 0.000 6.048) 6.935 10.209 ( 1.601 0.000 3.400) 3.758 10.295 ( -3.435 0.000 4.440) 5.614 10.343 ( -3.015 0.000 -7.826) 8.387 10.705 ( -1.772 0.000 -0.667) 1.893 10.845 ( 0.603 0.000 -7.432) 7.456 10.882 ( -1.029 0.000 -0.595) 1.189 11.009 ( 6.695 0.000 -13.394) 14.974 11.507 ( 4.520 0.000 -0.356) 4.534 11.599 ( -3.747 0.000 0.261) 3.756 12.066 ( 2.646 0.000 8.739) 9.131 12.315 ( 1.209 0.000 -5.565) 5.695 12.685 ( -2.301 0.000 0.714) 2.410 12.762 ( -1.364 0.000 -2.979) 3.277 12.882 ( 3.994 0.000 3.243) 5.145 13.201 ( 6.847 0.000 10.029) 12.143 13.332 ( 0.281 0.000 -5.534) 5.542 13.364 ( -4.072 0.000 -8.546) 9.466 13.521 ( 7.196 0.000 4.688) 8.589 13.522 ( -0.897 0.000 2.063) 2.249 13.727 ( 4.931 0.000 4.677) 6.796 13.814 ( 0.623 0.000 6.427) 6.457 14.067 ( -4.183 0.000 -2.559) 4.904 14.307 ( -10.154 0.000 -7.536) 12.645 14.730 ( 8.983 0.000 7.160) 11.488 15.034 ( -2.319 0.000 6.219) 6.638 15.066 ( -2.356 0.000 0.029) 2.356 15.230 ( -2.396 0.000 -6.383) 6.818 15.396 ( -4.042 0.000 0.385) 4.061 15.484 ( -0.273 0.000 -8.523) 8.527 15.598 ( 2.771 0.000 1.148) 3.000 15.756 ( -5.019 0.000 -4.385) 6.665 16.061 ( 3.366 0.000 5.292) 6.272 16.138 ( 4.515 0.000 3.999) 6.031 16.289 ( -1.638 0.000 -0.869) 1.854 16.316 ( 4.874 0.000 -0.237) 4.879 19.236 ( 5.178 0.000 3.396) 6.192 19.383 ( 5.329 0.000 1.869) 5.647 19.483 ( -3.531 0.000 -5.041) 6.155 19.659 ( -7.087 0.000 -3.687) 7.989 24.866 ( -0.188 0.000 -2.124) 2.132 24.925 ( 1.344 0.000 -5.403) 5.568 24.991 ( 2.520 0.000 0.372) 2.547 25.119 ( -2.104 0.000 -5.441) 5.834 26.324 ( 2.345 0.000 -0.359) 2.372 26.328 ( -1.373 0.000 1.378) 1.945 26.670 ( 1.410 0.000 4.437) 4.656 26.725 ( 0.676 0.000 1.058) 1.256 27.533 ( 2.764 0.000 0.794) 2.876 27.620 ( -2.545 0.000 -0.700) 2.639 27.773 ( 2.983 0.000 5.391) 6.161 27.857 ( -3.505 0.000 2.006) 4.039 27.899 ( 1.620 0.000 -1.373) 2.124 27.984 ( -3.478 0.000 0.662) 3.540 27.992 ( 3.556 0.000 2.430) 4.307 28.226 ( -2.738 0.000 -4.447) 5.222 28.285 ( 0.241 0.000 -2.160) 2.174 28.314 ( 0.408 0.000 -2.987) 3.015 28.528 ( -7.843 0.000 0.424) 7.855 28.611 ( 1.910 0.000 -7.359) 7.602 28.937 ( -0.578 0.000 9.471) 9.489 29.051 ( 0.701 0.000 1.324) 1.498 29.237 ( 3.595 0.000 -4.034) 5.403 29.391 ( 1.461 0.000 -9.511) 9.623 29.477 ( 2.854 0.000 11.688) 12.031 29.801 ( -1.457 0.000 -5.678) 5.862 30.358 ( -3.641 0.000 8.589) 9.329 30.501 ( -1.809 0.000 -0.065) 1.810 ======================= Grid point 102 (49/72) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( -25.678 0.000 12.058) 28.368 2.148 ( -28.478 0.000 -10.821) 30.464 2.425 ( 3.470 0.000 5.033) 6.113 2.438 ( 3.803 0.000 -6.031) 7.130 2.846 ( -4.006 0.000 -5.868) 7.105 2.887 ( 7.113 0.000 3.203) 7.801 3.126 ( -1.834 0.000 11.073) 11.224 3.361 ( 10.004 0.000 -7.988) 12.802 3.392 ( 1.026 0.000 4.500) 4.615 3.413 ( 0.046 0.000 -7.438) 7.438 3.667 ( -10.151 0.000 9.017) 13.578 3.813 ( 2.408 0.000 10.855) 11.119 3.894 ( 3.007 0.000 -7.730) 8.294 3.909 ( -9.693 0.000 8.413) 12.835 3.921 ( -1.679 0.000 -7.096) 7.292 4.063 ( 8.102 0.000 4.590) 9.312 4.105 ( -1.745 0.000 1.989) 2.645 4.168 ( -15.643 0.000 -9.232) 18.163 4.176 ( 2.086 0.000 -10.001) 10.216 4.635 ( 7.827 0.000 -12.697) 14.915 4.682 ( 0.283 0.000 9.326) 9.330 4.714 ( -3.589 0.000 3.709) 5.161 4.871 ( -3.844 0.000 9.320) 10.082 4.951 ( -5.337 0.000 -12.490) 13.583 4.980 ( -13.876 0.000 -0.398) 13.882 5.188 ( -3.369 0.000 3.039) 4.537 5.188 ( -14.013 0.000 -7.913) 16.092 5.292 ( 16.746 0.000 4.101) 17.241 5.371 ( 9.783 0.000 0.703) 9.808 5.415 ( 12.282 0.000 2.215) 12.480 5.487 ( -7.598 0.000 6.304) 9.872 5.615 ( 1.213 0.000 4.235) 4.406 5.702 ( -9.042 0.000 -2.269) 9.322 5.706 ( -6.874 0.000 -1.290) 6.994 5.737 ( -3.968 0.000 -3.369) 5.205 5.760 ( 4.268 0.000 -1.606) 4.560 5.941 ( -4.658 0.000 4.781) 6.675 6.005 ( 6.462 0.000 -0.010) 6.462 6.015 ( 1.032 0.000 1.466) 1.793 6.110 ( 6.693 0.000 5.550) 8.695 6.317 ( -7.604 0.000 2.353) 7.960 6.450 ( 3.194 0.000 -1.615) 3.579 6.514 ( -0.266 0.000 -7.488) 7.492 6.550 ( 3.252 0.000 -1.724) 3.681 6.618 ( -3.111 0.000 0.833) 3.220 6.773 ( 3.893 0.000 -0.585) 3.937 6.783 ( 1.764 0.000 -0.059) 1.765 6.911 ( 14.042 0.000 -6.236) 15.365 6.963 ( -7.256 0.000 -1.526) 7.415 7.098 ( 6.789 0.000 -0.754) 6.831 7.171 ( -0.801 0.000 0.322) 0.863 7.239 ( 4.244 0.000 -3.753) 5.666 7.412 ( 0.733 0.000 7.036) 7.074 7.443 ( -5.837 0.000 -5.837) 8.255 7.485 ( 5.441 0.000 2.118) 5.839 7.517 ( 3.318 0.000 -6.347) 7.162 7.635 ( -3.670 0.000 1.506) 3.967 7.660 ( 0.357 0.000 2.740) 2.763 7.897 ( 2.678 0.000 10.193) 10.539 7.986 ( -2.026 0.000 -7.938) 8.192 8.139 ( 6.245 0.000 13.047) 14.465 8.152 ( -4.017 0.000 2.199) 4.579 8.274 ( -6.035 0.000 -18.082) 19.063 8.377 ( 8.794 0.000 -2.567) 9.161 8.454 ( -0.393 0.000 4.990) 5.006 8.503 ( 0.383 0.000 -1.433) 1.483 8.662 ( -9.141 0.000 -10.378) 13.830 8.686 ( 10.892 0.000 18.239) 21.244 9.019 ( -5.181 0.000 -3.992) 6.541 9.102 ( 10.562 0.000 6.100) 12.198 9.402 ( -5.877 0.000 -4.360) 7.318 9.468 ( 5.982 0.000 3.319) 6.841 9.665 ( -10.046 0.000 -5.264) 11.341 9.765 ( 8.461 0.000 6.835) 10.877 9.905 ( 6.425 0.000 9.681) 11.619 9.914 ( -3.375 0.000 -7.464) 8.191 10.220 ( -3.866 0.000 3.416) 5.159 10.229 ( -2.385 0.000 -1.708) 2.933 10.299 ( 2.405 0.000 -0.646) 2.490 10.316 ( 2.853 0.000 3.785) 4.740 10.652 ( -3.634 0.000 6.327) 7.297 10.759 ( -0.500 0.000 -6.839) 6.858 10.813 ( -7.240 0.000 4.000) 8.271 10.978 ( 1.372 0.000 -9.499) 9.597 11.519 ( -4.752 0.000 -1.145) 4.888 11.597 ( 5.014 0.000 0.393) 5.029 12.170 ( -1.075 0.000 7.522) 7.598 12.255 ( -1.842 0.000 -7.938) 8.149 12.706 ( 2.269 0.000 2.104) 3.095 12.723 ( 1.377 0.000 -2.595) 2.937 13.036 ( -9.619 0.000 -10.249) 14.056 13.106 ( 10.254 0.000 10.541) 14.706 13.287 ( -2.602 0.000 2.020) 3.294 13.399 ( 3.741 0.000 -6.882) 7.833 13.538 ( 0.116 0.000 1.417) 1.422 13.563 ( 0.895 0.000 -1.557) 1.795 13.905 ( -8.475 0.000 -9.528) 12.752 13.962 ( 9.174 0.000 7.591) 11.907 14.033 ( -6.489 0.000 -12.867) 14.411 14.106 ( 16.115 0.000 10.314) 19.133 14.914 ( -12.103 0.000 -8.430) 14.750 14.977 ( 5.279 0.000 9.140) 10.555 15.079 ( 1.901 0.000 6.728) 6.992 15.116 ( 0.524 0.000 -1.585) 1.670 15.336 ( -2.756 0.000 2.958) 4.043 15.454 ( 4.388 0.000 -5.322) 6.898 15.648 ( -3.499 0.000 -2.944) 4.573 15.678 ( 3.182 0.000 2.786) 4.229 16.145 ( -0.821 0.000 4.494) 4.569 16.163 ( -3.317 0.000 -2.982) 4.461 16.263 ( -2.346 0.000 3.476) 4.194 16.327 ( -0.146 0.000 -4.390) 4.393 19.333 ( -6.305 0.000 -5.416) 8.312 19.370 ( 4.523 0.000 4.580) 6.437 19.463 ( -7.663 0.000 -5.144) 9.229 19.559 ( 8.836 0.000 4.961) 10.133 24.851 ( -0.813 0.000 0.825) 1.158 24.883 ( -0.316 0.000 -4.350) 4.362 25.021 ( -3.669 0.000 -2.952) 4.709 25.041 ( 1.400 0.000 2.089) 2.515 26.305 ( -2.459 0.000 1.250) 2.759 26.358 ( 1.873 0.000 -0.929) 2.091 26.719 ( -0.047 0.000 2.145) 2.145 26.725 ( -0.983 0.000 -0.666) 1.188 27.558 ( -2.914 0.000 -1.463) 3.260 27.601 ( 3.083 0.000 1.080) 3.267 27.822 ( -2.133 0.000 1.296) 2.496 27.862 ( 2.385 0.000 2.491) 3.449 27.920 ( -3.228 0.000 -1.536) 3.575 27.950 ( 2.935 0.000 2.283) 3.718 28.062 ( -7.642 0.000 -5.290) 9.294 28.105 ( 3.119 0.000 5.246) 6.103 28.286 ( 0.845 0.000 -3.038) 3.153 28.315 ( 4.697 0.000 -2.214) 5.193 28.471 ( -2.441 0.000 4.772) 5.360 28.584 ( 3.577 0.000 -4.509) 5.756 28.997 ( -3.256 0.000 7.994) 8.631 29.066 ( -0.310 0.000 0.315) 0.442 29.267 ( -2.996 0.000 -8.708) 9.209 29.271 ( 2.856 0.000 -0.798) 2.966 29.639 ( 2.195 0.000 9.222) 9.480 29.715 ( -1.182 0.000 -9.392) 9.466 30.417 ( 1.629 0.000 7.988) 8.152 30.487 ( 2.886 0.000 -2.863) 4.065 ======================= Grid point 103 (50/72) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -34.615 0.000 2.856) 34.733 1.627 ( -27.192 0.000 24.381) 36.522 2.304 ( -17.653 0.000 7.038) 19.004 2.480 ( -2.109 0.000 7.351) 7.647 2.688 ( -5.641 0.000 -5.097) 7.602 2.879 ( -19.651 0.000 10.849) 22.447 3.143 ( -9.356 0.000 8.011) 12.318 3.166 ( -8.070 0.000 -19.126) 20.759 3.336 ( -5.896 0.000 -5.094) 7.791 3.450 ( -15.144 0.000 6.981) 16.675 3.570 ( 16.129 0.000 -7.206) 17.666 3.731 ( -1.214 0.000 -2.522) 2.799 3.796 ( -5.372 0.000 -15.892) 16.775 3.880 ( -0.810 0.000 -4.917) 4.984 3.953 ( 4.404 0.000 2.356) 4.994 4.051 ( 4.802 0.000 3.004) 5.664 4.155 ( 15.680 0.000 -13.966) 20.998 4.220 ( 2.707 0.000 8.472) 8.894 4.232 ( -0.776 0.000 5.817) 5.868 4.551 ( 0.415 0.000 -1.469) 1.526 4.644 ( -15.052 0.000 2.762) 15.303 4.717 ( -9.793 0.000 -6.496) 11.752 4.729 ( -1.277 0.000 2.721) 3.006 4.861 ( 1.198 0.000 4.688) 4.839 4.864 ( -5.782 0.000 -12.889) 14.127 4.883 ( -4.384 0.000 9.176) 10.169 5.233 ( -2.439 0.000 2.517) 3.504 5.385 ( -9.986 0.000 2.225) 10.231 5.397 ( -12.797 0.000 9.994) 16.237 5.480 ( -6.256 0.000 -1.125) 6.356 5.527 ( -4.884 0.000 4.398) 6.573 5.657 ( 5.369 0.000 6.042) 8.082 5.677 ( -0.004 0.000 3.244) 3.244 5.682 ( 0.922 0.000 -5.351) 5.430 5.755 ( 14.034 0.000 4.878) 14.858 5.796 ( 1.632 0.000 2.312) 2.830 5.831 ( -6.052 0.000 1.889) 6.340 6.013 ( -7.756 0.000 -10.842) 13.330 6.094 ( 3.755 0.000 -2.140) 4.322 6.231 ( 7.945 0.000 0.103) 7.946 6.254 ( -8.174 0.000 -7.028) 10.780 6.337 ( 6.875 0.000 2.107) 7.190 6.502 ( -2.266 0.000 -4.016) 4.611 6.544 ( 4.209 0.000 0.618) 4.254 6.669 ( 6.534 0.000 -2.576) 7.023 6.799 ( 2.430 0.000 -3.964) 4.649 6.822 ( 4.679 0.000 0.717) 4.734 6.880 ( 1.706 0.000 -3.215) 3.640 7.034 ( 1.711 0.000 -3.952) 4.306 7.167 ( -1.591 0.000 4.966) 5.215 7.200 ( 4.905 0.000 4.068) 6.372 7.269 ( 3.632 0.000 -9.189) 9.881 7.349 ( 3.744 0.000 -3.891) 5.400 7.450 ( 1.103 0.000 -0.094) 1.107 7.515 ( -2.260 0.000 0.458) 2.306 7.619 ( 3.936 0.000 3.684) 5.391 7.630 ( -0.609 0.000 -0.034) 0.610 7.785 ( 8.777 0.000 4.791) 10.000 7.890 ( 3.880 0.000 -7.679) 8.604 7.996 ( -7.091 0.000 -7.719) 10.481 8.035 ( 1.606 0.000 8.263) 8.418 8.133 ( 3.103 0.000 -1.123) 3.300 8.277 ( 1.094 0.000 -2.977) 3.171 8.475 ( -0.089 0.000 -0.740) 0.745 8.502 ( 5.507 0.000 8.276) 9.941 8.554 ( 5.232 0.000 -2.037) 5.614 8.572 ( 0.572 0.000 1.653) 1.749 9.037 ( 6.641 0.000 5.524) 8.638 9.082 ( 8.522 0.000 11.346) 14.190 9.221 ( -6.110 0.000 -6.576) 8.976 9.363 ( 6.582 0.000 2.375) 6.997 9.446 ( -7.059 0.000 -5.690) 9.067 9.567 ( 3.435 0.000 2.196) 4.077 9.776 ( 3.417 0.000 -6.750) 7.566 10.008 ( 4.914 0.000 0.911) 4.998 10.035 ( -2.340 0.000 1.375) 2.714 10.134 ( -6.929 0.000 -0.056) 6.929 10.177 ( 1.533 0.000 -2.479) 2.914 10.333 ( 2.759 0.000 5.202) 5.888 10.397 ( 3.665 0.000 -3.341) 4.959 10.721 ( -0.489 0.000 -0.972) 1.088 10.733 ( -6.975 0.000 10.003) 12.195 10.758 ( 1.569 0.000 8.191) 8.340 10.836 ( -7.654 0.000 -3.678) 8.492 11.422 ( -3.818 0.000 0.445) 3.844 11.691 ( 5.308 0.000 -0.648) 5.348 12.096 ( -5.010 0.000 -8.251) 9.654 12.232 ( 2.101 0.000 9.404) 9.636 12.772 ( 2.429 0.000 1.381) 2.794 12.774 ( 3.779 0.000 -3.764) 5.334 12.886 ( 4.104 0.000 1.251) 4.290 13.221 ( -9.496 0.000 -18.465) 20.763 13.224 ( -4.410 0.000 0.832) 4.487 13.378 ( 5.122 0.000 8.277) 9.734 13.455 ( -8.249 0.000 -9.711) 12.742 13.588 ( 4.001 0.000 -1.099) 4.150 13.714 ( -0.389 0.000 -0.281) 0.480 13.865 ( -1.577 0.000 -2.873) 3.277 14.160 ( 7.958 0.000 1.492) 8.097 14.464 ( 13.600 0.000 4.390) 14.291 14.630 ( -8.518 0.000 -4.675) 9.716 15.057 ( -1.988 0.000 3.238) 3.800 15.136 ( 2.181 0.000 -3.229) 3.896 15.201 ( 2.772 0.000 4.257) 5.080 15.390 ( -0.532 0.000 8.320) 8.337 15.494 ( 3.944 0.000 -4.352) 5.874 15.570 ( -1.228 0.000 -1.025) 1.599 15.783 ( 4.461 0.000 5.460) 7.051 16.030 ( -5.921 0.000 -4.519) 7.449 16.067 ( -7.757 0.000 -3.760) 8.621 16.194 ( -7.971 0.000 0.197) 7.974 16.287 ( -1.318 0.000 0.324) 1.357 19.164 ( -6.492 0.000 -2.632) 7.005 19.330 ( -2.442 0.000 -1.529) 2.882 19.482 ( 2.183 0.000 3.835) 4.413 19.745 ( 5.920 0.000 2.296) 6.350 24.839 ( -1.186 0.000 0.617) 1.336 24.852 ( -1.273 0.000 3.033) 3.290 24.937 ( -3.473 0.000 -0.149) 3.477 25.080 ( -0.600 0.000 3.898) 3.944 26.269 ( -2.640 0.000 1.049) 2.841 26.367 ( 0.752 0.000 -2.062) 2.194 26.682 ( -1.327 0.000 -2.710) 3.017 26.709 ( -1.967 0.000 -0.410) 2.009 27.492 ( -2.478 0.000 -0.503) 2.529 27.655 ( 1.846 0.000 0.473) 1.906 27.776 ( -2.727 0.000 -4.484) 5.248 27.841 ( -2.606 0.000 1.487) 3.001 27.921 ( 1.403 0.000 1.109) 1.788 27.945 ( -2.166 0.000 1.021) 2.395 28.015 ( 1.390 0.000 1.647) 2.155 28.192 ( 1.555 0.000 4.019) 4.309 28.302 ( 2.706 0.000 0.302) 2.723 28.340 ( 0.679 0.000 -2.965) 3.042 28.493 ( -1.635 0.000 5.524) 5.761 28.704 ( 10.584 0.000 0.654) 10.604 28.986 ( -4.748 0.000 4.929) 6.844 29.018 ( -2.006 0.000 -6.443) 6.748 29.171 ( -0.696 0.000 -0.772) 1.040 29.305 ( 0.026 0.000 0.952) 0.952 29.573 ( -1.382 0.000 -11.026) 11.112 29.754 ( 1.618 0.000 8.210) 8.368 30.528 ( 5.514 0.000 -6.180) 8.283 30.555 ( 4.922 0.000 1.726) 5.216 ======================= Grid point 104 (51/72) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 3.849 0.000 42.899) 43.072 1.512 ( -18.012 0.000 35.115) 39.465 2.112 ( -10.745 0.000 12.002) 16.109 2.418 ( -20.849 0.000 12.333) 24.224 2.557 ( -20.713 0.000 20.470) 29.121 2.588 ( 1.143 0.000 -4.716) 4.852 2.871 ( -0.725 0.000 -14.563) 14.581 2.886 ( -17.930 0.000 -1.337) 17.980 3.265 ( 2.431 0.000 0.489) 2.480 3.301 ( -7.938 0.000 -11.587) 14.045 3.510 ( 1.842 0.000 -5.345) 5.654 3.677 ( -4.505 0.000 -11.848) 12.676 3.729 ( 4.650 0.000 -12.453) 13.293 3.897 ( 6.649 0.000 -4.879) 8.247 4.048 ( -2.122 0.000 5.156) 5.576 4.088 ( 1.013 0.000 6.418) 6.498 4.213 ( 5.376 0.000 -9.274) 10.719 4.332 ( -0.734 0.000 -3.542) 3.617 4.354 ( 0.558 0.000 7.687) 7.707 4.457 ( 5.693 0.000 -15.697) 16.697 4.482 ( -8.036 0.000 11.848) 14.316 4.619 ( 5.130 0.000 1.676) 5.397 4.681 ( -5.198 0.000 -5.876) 7.845 4.790 ( -2.735 0.000 1.669) 3.204 4.882 ( -1.566 0.000 0.440) 1.627 4.902 ( -0.563 0.000 5.335) 5.365 5.156 ( -13.620 0.000 3.085) 13.965 5.187 ( -1.726 0.000 -2.110) 2.726 5.212 ( -5.681 0.000 -2.328) 6.139 5.380 ( -8.095 0.000 -8.569) 11.788 5.510 ( -4.670 0.000 10.065) 11.096 5.558 ( -3.794 0.000 -3.504) 5.165 5.576 ( -2.832 0.000 -3.863) 4.790 5.772 ( 3.561 0.000 2.950) 4.624 5.782 ( -3.185 0.000 3.422) 4.675 5.828 ( -1.351 0.000 4.346) 4.551 5.829 ( 0.882 0.000 -2.884) 3.016 6.017 ( -0.287 0.000 8.620) 8.625 6.096 ( -0.020 0.000 0.649) 0.649 6.207 ( 4.520 0.000 -0.692) 4.573 6.328 ( 4.664 0.000 -2.574) 5.327 6.442 ( 5.174 0.000 -4.212) 6.672 6.462 ( 2.554 0.000 1.030) 2.754 6.619 ( -4.870 0.000 2.609) 5.525 6.738 ( 0.904 0.000 -4.612) 4.700 6.837 ( -2.103 0.000 -3.151) 3.789 6.934 ( 2.307 0.000 -2.710) 3.559 6.937 ( 14.593 0.000 6.014) 15.784 6.959 ( -3.434 0.000 4.425) 5.601 7.138 ( -0.753 0.000 -14.636) 14.655 7.257 ( 3.330 0.000 5.746) 6.641 7.342 ( 2.263 0.000 -2.307) 3.232 7.451 ( 7.326 0.000 -0.301) 7.332 7.456 ( -0.461 0.000 3.143) 3.176 7.545 ( 9.668 0.000 -1.841) 9.842 7.664 ( 4.043 0.000 5.457) 6.792 7.715 ( 0.824 0.000 4.913) 4.981 7.799 ( -0.102 0.000 -3.954) 3.956 7.951 ( 2.340 0.000 0.666) 2.433 8.042 ( 5.082 0.000 5.226) 7.289 8.128 ( 3.891 0.000 2.190) 4.465 8.214 ( -1.897 0.000 -2.626) 3.239 8.230 ( 7.130 0.000 -1.006) 7.201 8.486 ( 0.948 0.000 0.186) 0.966 8.585 ( 0.387 0.000 -2.842) 2.868 8.621 ( 3.050 0.000 3.645) 4.753 8.702 ( 4.354 0.000 4.432) 6.213 9.068 ( -0.009 0.000 -2.365) 2.365 9.073 ( -6.005 0.000 -8.089) 10.075 9.272 ( -2.716 0.000 1.287) 3.005 9.379 ( -2.065 0.000 -2.490) 3.235 9.379 ( 12.418 0.000 4.374) 13.166 9.570 ( -4.465 0.000 -6.245) 7.677 9.782 ( -13.944 0.000 -12.588) 18.786 9.883 ( -12.677 0.000 -0.300) 12.681 9.941 ( 8.383 0.000 -0.753) 8.417 10.016 ( -2.870 0.000 -2.624) 3.889 10.198 ( -0.262 0.000 -9.109) 9.113 10.338 ( -0.246 0.000 -3.929) 3.937 10.458 ( 0.076 0.000 10.229) 10.230 10.557 ( -9.450 0.000 -5.991) 11.189 10.641 ( -9.630 0.000 0.931) 9.675 10.784 ( 0.737 0.000 3.027) 3.115 10.859 ( -1.213 0.000 6.425) 6.538 11.428 ( 0.536 0.000 4.975) 5.004 11.770 ( 4.121 0.000 -1.596) 4.419 11.987 ( 1.876 0.000 -2.488) 3.116 12.300 ( -7.025 0.000 -5.582) 8.973 12.811 ( 0.924 0.000 -0.320) 0.978 12.858 ( 0.381 0.000 -4.225) 4.243 13.077 ( -0.920 0.000 0.152) 0.932 13.144 ( -4.398 0.000 -0.420) 4.418 13.220 ( 18.218 0.000 9.753) 20.665 13.266 ( 24.135 0.000 9.128) 25.803 13.431 ( -2.786 0.000 0.426) 2.818 13.671 ( 4.036 0.000 1.040) 4.168 13.784 ( 2.400 0.000 5.145) 5.678 13.914 ( 6.066 0.000 8.185) 10.188 14.328 ( 7.714 0.000 3.030) 8.288 14.541 ( 0.241 0.000 0.960) 0.989 14.679 ( 7.912 0.000 -0.705) 7.943 14.961 ( -8.635 0.000 -2.494) 8.988 15.091 ( -0.999 0.000 -7.798) 7.862 15.261 ( -5.434 0.000 0.284) 5.442 15.348 ( -6.823 0.000 2.209) 7.172 15.467 ( 1.928 0.000 -6.292) 6.581 15.622 ( 2.371 0.000 3.135) 3.930 15.875 ( -7.612 0.000 -1.658) 7.790 15.877 ( -5.200 0.000 -4.744) 7.039 15.945 ( 4.672 0.000 4.629) 6.577 16.015 ( -8.261 0.000 0.715) 8.291 16.260 ( -2.363 0.000 0.597) 2.437 19.086 ( -1.046 0.000 2.235) 2.468 19.350 ( 3.360 0.000 3.564) 4.898 19.478 ( -4.406 0.000 -2.289) 4.965 19.789 ( -0.889 0.000 -3.208) 3.329 24.865 ( -0.988 0.000 3.423) 3.563 24.896 ( -1.427 0.000 1.185) 1.855 24.916 ( 6.688 0.000 5.492) 8.654 25.093 ( -2.963 0.000 4.685) 5.544 26.235 ( -2.161 0.000 1.231) 2.487 26.343 ( -0.342 0.000 -3.217) 3.235 26.638 ( 0.298 0.000 -3.339) 3.352 26.653 ( -3.141 0.000 -0.526) 3.185 27.506 ( 3.469 0.000 3.150) 4.686 27.677 ( 0.312 0.000 0.006) 0.312 27.714 ( 1.042 0.000 -1.946) 2.207 27.849 ( -0.374 0.000 3.965) 3.983 27.908 ( -3.434 0.000 -0.359) 3.453 27.961 ( 1.444 0.000 2.343) 2.752 28.024 ( -1.265 0.000 -0.316) 1.304 28.212 ( -2.414 0.000 -1.755) 2.984 28.356 ( 4.202 0.000 1.234) 4.379 28.383 ( 2.250 0.000 4.861) 5.356 28.519 ( 0.202 0.000 3.048) 3.055 28.840 ( 0.351 0.000 -5.043) 5.056 28.932 ( 1.954 0.000 -2.067) 2.844 28.943 ( -4.381 0.000 3.734) 5.756 29.212 ( 3.990 0.000 -0.169) 3.993 29.284 ( -1.945 0.000 -1.054) 2.212 29.519 ( 7.903 0.000 -4.955) 9.328 29.895 ( 2.214 0.000 12.237) 12.436 30.467 ( -12.072 0.000 -11.719) 16.825 30.522 ( 2.681 0.000 -10.589) 10.923 ======================= Grid point 105 (52/72) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -2.164 13.079 29.562) 32.399 2.024 ( 3.183 8.894 30.872) 32.285 2.220 ( 5.099 2.744 5.268) 7.829 2.372 ( -2.094 5.414 6.123) 8.438 2.499 ( 2.801 0.730 -3.029) 4.190 2.722 ( 0.200 8.978 -12.740) 15.587 2.829 ( 3.964 0.175 4.184) 5.766 2.929 ( 8.307 13.639 4.035) 16.472 3.136 ( -1.038 4.971 1.921) 5.429 3.270 ( -7.574 -2.266 -5.737) 9.768 3.400 ( 5.203 -0.294 3.454) 6.252 3.429 ( 1.909 -6.197 -4.817) 8.078 3.656 ( -10.393 0.439 -9.194) 13.883 3.920 ( 5.325 1.939 -5.763) 8.083 3.976 ( -1.188 5.104 -8.758) 10.206 4.055 ( -5.206 -2.541 -5.416) 7.930 4.231 ( -0.273 -4.229 6.928) 8.121 4.296 ( -0.112 -1.759 -1.398) 2.250 4.349 ( -3.174 -0.125 1.140) 3.375 4.391 ( 0.435 -0.728 2.024) 2.194 4.526 ( 6.755 1.354 -5.081) 8.561 4.599 ( -7.475 -2.188 -6.665) 10.251 4.637 ( 2.438 -0.243 6.068) 6.544 4.779 ( 1.943 -2.277 3.543) 4.639 4.867 ( -0.749 -4.242 0.562) 4.344 4.943 ( 5.306 4.949 -0.870) 7.307 5.059 ( 0.730 -0.293 -8.765) 8.800 5.102 ( -4.530 3.858 -7.386) 9.485 5.174 ( 1.775 2.446 -0.273) 3.034 5.281 ( -0.540 4.484 -7.187) 8.488 5.414 ( -4.795 -10.301 7.726) 13.741 5.486 ( 4.479 -4.195 2.094) 6.485 5.659 ( -0.813 2.615 8.658) 9.081 5.745 ( -1.120 -0.359 -0.398) 1.241 5.760 ( -4.595 1.433 3.210) 5.785 5.827 ( 6.570 -8.399 -5.131) 11.833 5.966 ( -0.405 4.246 13.605) 14.258 6.079 ( -0.953 2.767 3.754) 4.760 6.164 ( 4.160 2.412 -1.099) 4.932 6.299 ( -2.831 0.193 3.620) 4.599 6.365 ( -3.869 0.882 -9.040) 9.873 6.381 ( 3.953 2.794 -1.141) 4.974 6.515 ( -4.101 -0.439 0.776) 4.196 6.586 ( -0.937 -0.117 -4.910) 5.000 6.711 ( 1.545 -1.704 5.001) 5.504 6.760 ( 1.335 2.704 3.436) 4.572 6.885 ( -0.197 -1.072 -5.707) 5.810 6.961 ( 0.834 -1.464 -12.609) 12.721 7.040 ( 1.138 0.956 2.918) 3.275 7.177 ( 2.068 4.339 -3.732) 6.085 7.220 ( 1.921 -5.242 -0.863) 5.649 7.310 ( -3.669 -3.665 -3.949) 6.518 7.448 ( -3.097 -2.588 8.298) 9.227 7.559 ( 1.735 -1.548 2.528) 3.434 7.650 ( -6.363 -0.407 0.484) 6.394 7.733 ( 9.910 -1.353 -3.672) 10.655 7.801 ( -1.915 -3.483 2.918) 4.931 7.824 ( 3.108 0.910 2.264) 3.951 7.980 ( 4.789 -3.969 10.360) 12.084 8.161 ( 1.370 -0.777 1.759) 2.361 8.194 ( 1.511 -1.843 0.954) 2.567 8.234 ( -0.487 2.073 -0.560) 2.201 8.286 ( -7.166 -3.843 -5.385) 9.753 8.305 ( 1.464 -3.063 -6.370) 7.218 8.479 ( -1.486 -1.975 1.265) 2.777 8.518 ( -1.810 -0.598 -2.281) 2.973 8.845 ( 10.691 -0.747 7.602) 13.140 9.026 ( -13.968 -3.121 -4.951) 15.145 9.140 ( 9.419 -2.434 0.934) 9.773 9.191 ( -8.206 -2.583 -4.393) 9.659 9.237 ( 0.728 3.897 2.674) 4.782 9.332 ( -3.814 6.711 -5.788) 9.648 9.576 ( 1.463 0.720 1.649) 2.319 9.625 ( -5.260 -1.394 -0.708) 5.488 9.773 ( 4.114 2.219 4.432) 6.442 9.941 ( -4.673 2.212 -9.128) 10.491 10.020 ( 4.070 3.484 2.038) 5.732 10.112 ( -6.846 7.841 -5.849) 11.939 10.395 ( 4.738 -1.200 2.747) 5.607 10.429 ( -4.157 -2.567 -0.296) 4.895 10.523 ( 3.482 1.456 3.011) 4.828 10.592 ( -5.046 1.793 -1.092) 5.465 10.770 ( -2.808 -0.521 1.715) 3.331 10.835 ( 4.153 -1.230 -2.416) 4.960 11.561 ( 3.039 2.277 9.839) 10.547 11.785 ( -0.557 1.259 -8.395) 8.507 12.022 ( -2.851 -5.545 2.956) 6.900 12.071 ( 2.495 -3.769 -1.246) 4.689 12.786 ( -2.451 -1.248 -0.722) 2.843 12.808 ( 0.524 -0.645 -2.495) 2.629 13.022 ( -0.111 0.899 1.430) 1.692 13.074 ( -1.862 1.820 -2.452) 3.576 13.374 ( 1.662 2.155 1.631) 3.173 13.414 ( -0.275 3.199 -2.750) 4.228 13.706 ( 0.583 -2.637 2.033) 3.381 13.729 ( -0.038 -1.844 0.217) 1.857 14.199 ( 17.129 -0.790 12.000) 20.929 14.316 ( 28.504 -7.579 14.140) 32.708 14.391 ( -7.528 0.236 -3.456) 8.287 14.530 ( -2.430 -5.546 -1.578) 6.257 14.747 ( -2.880 2.992 -4.085) 5.825 14.775 ( -13.169 2.580 -6.112) 14.746 14.873 ( -4.429 -0.459 3.264) 5.521 15.014 ( -2.865 1.227 -8.246) 8.816 15.357 ( -0.189 2.494 2.142) 3.293 15.445 ( 2.440 -1.757 -4.562) 5.463 15.656 ( -1.677 0.364 3.610) 3.997 15.748 ( 0.478 -0.594 -3.455) 3.538 15.805 ( -2.876 -2.097 3.289) 4.847 15.870 ( -0.577 -1.279 -2.136) 2.555 16.121 ( 2.168 0.772 5.067) 5.565 16.200 ( 1.683 -1.288 -1.612) 2.663 19.213 ( 5.704 3.171 4.476) 7.913 19.332 ( -6.139 1.804 -5.580) 8.490 19.498 ( 6.291 -0.644 6.056) 8.756 19.644 ( -6.647 -1.731 -6.738) 9.622 24.890 ( 0.228 0.455 1.866) 1.934 24.904 ( 0.670 0.366 0.614) 0.979 25.032 ( -2.167 -3.170 2.789) 4.746 25.076 ( 6.725 -3.863 -0.651) 7.782 26.248 ( -0.097 1.568 2.335) 2.814 26.309 ( 0.030 0.801 -2.998) 3.104 26.598 ( -2.986 0.428 0.521) 3.061 26.638 ( 1.626 0.567 -2.972) 3.435 27.636 ( 3.870 0.731 2.167) 4.495 27.668 ( -1.411 0.513 -0.840) 1.721 27.798 ( 2.652 1.682 0.493) 3.179 27.823 ( -3.292 1.730 -1.514) 4.016 27.911 ( 0.835 0.772 3.657) 3.830 27.966 ( -0.296 -0.071 -1.022) 1.067 28.077 ( 4.217 3.209 2.059) 5.685 28.133 ( -4.617 1.797 -2.775) 5.678 28.378 ( -4.880 -3.501 5.080) 7.866 28.445 ( 6.559 -2.819 -0.181) 7.141 28.612 ( 5.581 0.165 1.914) 5.902 28.684 ( -6.499 -2.417 -3.959) 7.985 28.861 ( -1.923 -4.284 6.118) 7.712 28.955 ( -1.655 0.342 -2.301) 2.855 29.185 ( -0.979 -4.142 -1.003) 4.373 29.216 ( 2.697 -2.656 -2.910) 4.775 29.846 ( 16.844 4.309 7.530) 18.947 30.020 ( -10.095 5.179 -0.151) 11.347 30.124 ( -8.638 3.904 1.621) 9.617 30.391 ( -2.573 -1.112 -13.565) 13.851 ======================= Grid point 106 (53/72) ======================= q-point: ( 0.14 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 9.018 7.839 24.246) 27.030 2.221 ( 4.232 2.756 2.905) 5.826 2.304 ( 3.596 4.864 -27.880) 28.529 2.347 ( 3.451 4.097 -24.030) 24.620 2.464 ( 0.434 9.588 11.879) 15.272 2.710 ( 4.619 -3.172 -0.441) 5.620 2.851 ( 7.626 8.295 9.223) 14.561 2.936 ( -2.134 5.891 -16.059) 17.238 3.175 ( 1.713 -7.809 3.276) 8.640 3.333 ( -4.074 -1.066 -4.095) 5.874 3.478 ( 16.669 2.723 1.055) 16.923 3.656 ( 9.930 11.259 18.573) 23.882 3.732 ( 5.256 -2.515 0.495) 5.848 3.789 ( -3.210 3.754 6.806) 8.409 3.925 ( 10.926 5.749 -15.547) 19.853 4.098 ( -5.860 -6.174 -3.678) 9.273 4.120 ( 4.444 -4.783 2.142) 6.871 4.236 ( -7.651 -0.931 5.891) 9.701 4.378 ( -2.236 1.902 -8.563) 9.052 4.423 ( 3.304 -1.456 5.403) 6.498 4.512 ( 6.327 -5.722 0.411) 8.541 4.631 ( 8.342 -1.522 -7.535) 11.343 4.701 ( 1.389 -0.147 2.756) 3.089 4.791 ( -0.533 -0.734 1.218) 1.519 4.906 ( 1.446 0.892 3.123) 3.555 4.959 ( -2.510 0.456 -4.165) 4.884 5.053 ( 6.795 1.175 -2.908) 7.484 5.147 ( 7.594 2.487 4.201) 9.028 5.229 ( 4.612 4.238 1.565) 6.456 5.280 ( 8.446 2.434 -2.597) 9.166 5.338 ( -5.719 -13.242 6.290) 15.736 5.539 ( -2.635 -1.338 -1.157) 3.174 5.648 ( -4.829 -0.396 1.464) 5.062 5.717 ( -2.117 -5.076 2.212) 5.928 5.766 ( 0.863 2.800 -0.405) 2.958 5.860 ( 4.300 0.444 -3.865) 5.799 6.030 ( -1.824 -0.717 1.782) 2.649 6.161 ( 1.246 7.307 -9.472) 12.027 6.198 ( -0.734 6.640 10.411) 12.370 6.239 ( 3.008 0.888 -2.005) 3.722 6.288 ( -3.180 0.796 0.618) 3.336 6.398 ( 0.239 1.924 -3.636) 4.121 6.526 ( -3.300 -0.488 -1.041) 3.494 6.567 ( 4.934 -1.855 7.320) 9.021 6.712 ( -5.101 -0.488 1.474) 5.332 6.791 ( 0.780 6.211 2.047) 6.586 6.888 ( 1.987 -2.786 -8.180) 8.867 6.920 ( 6.381 -1.482 -0.342) 6.560 7.080 ( -3.491 0.343 -1.936) 4.006 7.126 ( 1.880 -0.903 1.390) 2.506 7.169 ( -6.047 -0.604 -6.477) 8.882 7.278 ( -2.230 -1.956 5.348) 6.116 7.375 ( -9.360 -2.968 5.680) 11.344 7.541 ( -1.916 -0.313 -3.755) 4.228 7.557 ( -4.434 1.569 -0.347) 4.716 7.705 ( -2.664 -0.769 -3.075) 4.141 7.791 ( -3.475 -0.290 -1.181) 3.682 7.872 ( -3.932 -5.357 -6.510) 9.302 7.936 ( -4.910 -1.539 0.823) 5.211 8.062 ( -7.502 -5.393 -0.813) 9.275 8.147 ( -5.658 -3.193 1.430) 6.652 8.215 ( -2.393 0.705 -2.604) 3.606 8.240 ( -1.706 3.409 -0.851) 3.906 8.370 ( 4.207 -1.707 5.326) 6.998 8.462 ( -1.666 -0.614 2.715) 3.244 8.558 ( 3.338 -5.300 -1.367) 6.411 8.754 ( -1.626 0.001 1.762) 2.397 8.970 ( -7.278 -2.806 0.227) 7.803 9.071 ( -2.392 1.881 -1.595) 3.436 9.243 ( 4.238 -4.423 3.116) 6.873 9.347 ( 5.931 -0.151 0.691) 5.973 9.441 ( 11.060 5.450 5.309) 13.424 9.538 ( -2.078 1.353 -1.720) 3.017 9.654 ( -9.347 4.642 0.045) 10.437 9.777 ( 12.023 -3.745 5.254) 13.645 9.896 ( -2.970 0.444 3.879) 4.906 9.951 ( -2.695 0.983 -0.229) 2.877 10.159 ( 3.258 8.357 3.965) 9.807 10.290 ( -9.797 -1.468 -3.112) 10.384 10.500 ( 5.430 -1.561 0.379) 5.662 10.548 ( 4.788 0.327 3.249) 5.795 10.687 ( 6.601 -1.030 1.488) 6.845 10.797 ( 3.228 1.826 0.193) 3.714 10.935 ( 9.063 -3.398 -4.046) 10.491 11.618 ( -4.310 0.849 -9.895) 10.826 11.689 ( -0.588 1.455 7.198) 7.367 11.921 ( -4.249 -1.997 0.699) 4.747 12.207 ( 7.094 -5.085 -1.320) 8.828 12.768 ( -1.184 -1.087 2.038) 2.596 12.827 ( 2.910 -0.349 0.524) 2.977 12.978 ( -2.010 -0.499 2.377) 3.153 13.146 ( 5.231 1.153 0.978) 5.445 13.310 ( -5.206 3.212 -3.408) 7.003 13.447 ( 2.513 1.805 0.589) 3.150 13.596 ( -20.794 -2.373 -9.515) 22.990 13.682 ( -3.688 -1.394 -0.246) 3.950 13.908 ( -16.401 -1.386 -9.345) 18.927 14.097 ( -17.131 -4.637 -11.518) 21.157 14.391 ( -4.512 1.627 0.405) 4.813 14.507 ( -3.564 -3.794 -1.087) 5.318 14.710 ( -1.262 4.437 2.380) 5.191 14.912 ( 4.202 0.238 4.639) 6.264 14.944 ( 7.121 4.185 4.352) 9.336 15.200 ( 16.407 -3.507 4.470) 17.363 15.363 ( 1.712 0.099 -0.938) 1.955 15.448 ( 1.741 2.361 -3.051) 4.233 15.694 ( -1.201 0.251 -2.269) 2.579 15.711 ( 1.934 -2.914 5.019) 6.117 15.868 ( 3.967 -1.044 4.711) 6.247 15.898 ( 5.079 -0.127 -0.892) 5.158 16.188 ( 1.716 1.332 -4.323) 4.838 16.201 ( 2.522 -1.701 -0.631) 3.107 19.183 ( -2.489 1.070 -4.071) 4.890 19.391 ( 2.584 -0.577 1.410) 3.000 19.465 ( -1.393 1.062 -2.458) 3.018 19.674 ( 4.650 -1.059 5.809) 7.516 24.910 ( 1.183 0.160 -0.213) 1.212 24.933 ( 2.365 0.478 -1.135) 2.667 24.975 ( -3.058 -1.353 -1.564) 3.691 25.168 ( 4.928 -4.895 -4.743) 8.411 26.276 ( 0.743 0.641 0.134) 0.990 26.299 ( 1.429 1.175 -0.281) 1.871 26.571 ( -1.608 0.960 3.116) 3.635 26.654 ( 2.039 -0.022 -0.793) 2.188 27.589 ( -3.685 1.485 -2.789) 4.854 27.674 ( -0.293 0.095 -0.216) 0.376 27.737 ( -2.676 3.215 0.205) 4.189 27.881 ( 1.748 0.949 2.129) 2.913 27.935 ( -0.450 1.657 -0.229) 1.732 27.977 ( 1.351 -1.425 -1.392) 2.407 28.041 ( -1.805 1.173 -1.274) 2.502 28.206 ( 6.657 3.086 1.592) 7.509 28.318 ( -5.075 -3.257 2.172) 6.410 28.505 ( -4.576 -1.113 -5.340) 7.120 28.554 ( 3.509 -2.316 -1.002) 4.322 28.731 ( 3.549 0.628 3.238) 4.846 28.887 ( -4.114 -3.513 1.476) 5.607 28.916 ( -0.180 -1.488 4.503) 4.746 29.163 ( -0.291 -3.469 -0.551) 3.524 29.238 ( 3.053 -3.720 -3.406) 5.896 29.630 ( -12.691 11.728 -5.470) 18.126 30.157 ( -5.719 -2.843 -10.813) 12.558 30.239 ( 12.398 1.904 11.454) 16.986 30.257 ( -0.049 0.899 10.643) 10.681 ======================= Grid point 107 (54/72) ======================= q-point: ( 0.29 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 6.894 4.549 -27.882) 29.080 2.284 ( 8.582 3.382 -18.420) 20.601 2.396 ( 11.461 0.460 -3.416) 11.968 2.612 ( 8.549 3.343 3.322) 9.762 2.675 ( 3.974 0.145 9.327) 10.140 2.766 ( 8.289 4.666 -6.408) 11.469 2.830 ( 2.521 7.178 12.568) 14.692 3.156 ( 7.174 -2.094 10.086) 12.553 3.206 ( 5.758 3.386 6.512) 9.329 3.391 ( 0.482 -2.169 5.348) 5.791 3.546 ( -9.187 -0.444 5.052) 10.494 3.679 ( -8.518 0.435 -1.073) 8.597 3.755 ( 2.212 9.367 0.340) 9.631 3.814 ( -12.236 1.300 14.394) 18.937 4.004 ( 1.267 -9.187 -5.063) 10.566 4.080 ( 20.209 1.710 -19.139) 27.886 4.217 ( 1.077 -0.933 -1.613) 2.152 4.262 ( 9.347 -4.826 -12.260) 16.154 4.351 ( 6.966 -2.437 0.637) 7.408 4.556 ( -3.548 -1.934 -1.740) 4.399 4.619 ( 12.156 -3.633 -2.466) 12.925 4.680 ( 5.504 -1.101 -4.796) 7.383 4.727 ( 1.044 6.216 -0.754) 6.348 4.780 ( 2.853 -1.695 -1.105) 3.498 4.834 ( 6.252 1.414 -0.907) 6.474 5.162 ( 3.892 -3.243 1.277) 5.225 5.197 ( -2.319 -0.957 -3.124) 4.007 5.266 ( 11.726 -4.218 13.979) 18.727 5.383 ( 7.464 2.130 12.821) 14.988 5.418 ( 2.116 -2.801 0.198) 3.516 5.520 ( 6.088 -8.352 10.576) 14.787 5.553 ( 11.383 7.913 5.273) 14.832 5.616 ( -0.013 -1.412 0.218) 1.429 5.687 ( -1.788 -0.926 -1.637) 2.595 5.771 ( 3.855 4.273 -1.830) 6.039 5.839 ( -0.957 1.539 -5.776) 6.054 5.968 ( -2.280 -0.264 -1.310) 2.643 6.066 ( -7.483 6.768 -4.698) 11.130 6.129 ( -3.620 3.580 -7.461) 9.033 6.212 ( -5.151 -2.337 -5.493) 7.885 6.308 ( -1.390 8.240 5.056) 9.767 6.380 ( 2.964 4.747 -2.363) 6.074 6.441 ( -6.875 1.087 2.973) 7.569 6.641 ( -4.500 -0.608 1.936) 4.936 6.726 ( -0.182 5.155 4.449) 6.812 6.786 ( -5.290 2.548 0.687) 5.912 6.809 ( -4.565 4.450 -7.426) 9.787 6.861 ( -1.237 -0.322 -1.150) 1.720 7.032 ( 0.106 -1.178 -4.032) 4.202 7.075 ( 0.666 1.775 5.865) 6.164 7.172 ( -0.602 -1.995 1.222) 2.416 7.232 ( -5.395 -2.251 3.356) 6.741 7.352 ( -0.427 -2.767 3.496) 4.479 7.424 ( 0.512 5.088 -4.689) 6.938 7.522 ( -0.821 -2.456 0.985) 2.771 7.627 ( -6.534 -0.237 -2.862) 7.137 7.669 ( -0.784 -0.737 -0.924) 1.419 7.754 ( -0.451 -1.445 -2.825) 3.205 7.861 ( -9.732 -4.770 -1.404) 10.928 7.986 ( 1.258 -5.797 1.672) 6.164 8.027 ( -6.542 -1.743 -1.192) 6.874 8.154 ( -1.228 1.453 0.044) 1.903 8.199 ( -1.804 0.659 -1.506) 2.441 8.407 ( -2.016 -0.553 3.684) 4.236 8.457 ( -4.738 0.745 5.093) 6.996 8.514 ( -1.262 -4.149 -0.836) 4.417 8.846 ( -0.765 1.644 -6.956) 7.189 8.995 ( 4.918 -6.069 5.549) 9.582 9.047 ( 3.854 -1.231 2.864) 4.957 9.165 ( -9.378 -2.427 -3.892) 10.439 9.381 ( -4.478 4.777 -0.616) 6.576 9.437 ( 3.710 2.321 2.333) 4.959 9.577 ( 1.964 -0.299 1.605) 2.554 9.744 ( -8.772 0.517 -1.318) 8.885 9.848 ( 4.597 -0.446 6.511) 7.983 9.956 ( -0.301 -9.591 8.698) 12.951 10.081 ( 8.214 -4.252 6.331) 11.209 10.130 ( -2.644 4.400 -0.502) 5.158 10.219 ( -1.836 1.393 2.267) 3.233 10.514 ( -6.374 0.922 -5.675) 8.584 10.660 ( 5.672 0.194 2.175) 6.078 10.834 ( 3.048 -2.007 -2.027) 4.175 10.848 ( 9.009 0.331 -2.249) 9.291 11.012 ( 5.534 -2.010 -8.892) 10.665 11.517 ( 1.265 3.622 -3.003) 4.872 11.693 ( -3.369 2.955 1.590) 4.755 11.902 ( 1.166 -3.227 3.060) 4.597 12.281 ( 1.021 -7.153 -1.786) 7.442 12.765 ( -4.000 -0.383 1.153) 4.180 12.860 ( -0.191 3.777 -1.149) 3.953 12.936 ( -11.980 -3.104 -4.917) 13.317 13.052 ( -4.988 -0.265 -4.190) 6.520 13.136 ( 4.338 -4.479 1.003) 6.315 13.319 ( 7.083 1.499 0.792) 7.283 13.493 ( 1.315 1.215 1.065) 2.083 13.592 ( -4.875 -0.520 -1.397) 5.098 13.759 ( -4.082 0.473 -1.577) 4.402 13.861 ( -3.889 -0.045 -0.435) 3.913 14.223 ( -8.663 2.014 -2.456) 9.227 14.425 ( -4.055 -4.852 -0.705) 6.362 14.673 ( -1.554 5.833 0.093) 6.038 14.996 ( -0.329 -0.643 5.120) 5.171 15.118 ( 4.595 5.890 3.331) 8.180 15.275 ( -0.855 -0.487 -3.312) 3.455 15.421 ( -0.463 -2.111 -1.604) 2.692 15.500 ( 5.099 1.176 0.612) 5.268 15.635 ( -1.774 2.238 -3.587) 4.585 15.789 ( -0.020 -6.530 2.208) 6.893 15.970 ( 4.429 1.096 -0.203) 4.567 16.044 ( 6.072 1.721 2.092) 6.649 16.199 ( 6.251 2.792 -0.774) 6.889 16.240 ( 2.099 -4.501 -0.558) 4.998 19.156 ( 1.785 0.792 -0.254) 1.969 19.314 ( -1.306 -2.812 -1.661) 3.518 19.550 ( 2.052 2.278 0.096) 3.067 19.748 ( -1.114 -0.728 1.305) 1.864 24.908 ( -0.853 0.038 -3.499) 3.602 24.928 ( 1.936 -0.623 -2.330) 3.092 24.960 ( 2.511 0.858 -2.144) 3.411 25.164 ( 0.990 -3.400 -5.730) 6.736 26.293 ( 1.736 0.543 -0.476) 1.880 26.325 ( 0.264 0.143 1.120) 1.160 26.607 ( 0.589 1.196 5.024) 5.198 26.690 ( 1.823 -0.053 0.743) 1.969 27.528 ( 0.053 2.170 -1.331) 2.546 27.674 ( 0.251 0.479 0.906) 1.055 27.708 ( -1.076 2.675 1.377) 3.195 27.905 ( -2.445 1.470 2.567) 3.838 27.923 ( 0.480 2.085 -2.951) 3.645 27.943 ( -1.284 -0.849 0.953) 1.811 28.030 ( -0.720 -0.455 -0.049) 0.853 28.262 ( -2.240 -2.037 0.474) 3.065 28.308 ( 3.113 1.960 -1.139) 3.851 28.373 ( -2.757 1.451 -4.101) 5.150 28.599 ( 3.527 -2.321 -4.623) 6.261 28.756 ( -8.424 3.774 -0.492) 9.244 28.823 ( 0.455 -3.085 5.399) 6.235 28.972 ( 0.151 -3.428 4.453) 5.622 29.153 ( 2.051 -5.883 -5.255) 8.151 29.256 ( 2.952 -3.536 -1.901) 4.983 29.536 ( 1.801 8.979 2.616) 9.524 29.938 ( -4.993 -1.417 -8.479) 9.941 30.341 ( -3.342 1.058 10.046) 10.640 30.474 ( 2.062 -0.286 6.965) 7.269 ======================= Grid point 108 (55/72) ======================= q-point: ( 0.43 0.17 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( 20.596 1.269 -3.977) 21.015 2.258 ( -2.751 -4.296 -2.445) 5.657 2.429 ( 2.253 9.167 -14.676) 17.450 2.572 ( 3.402 0.991 -0.085) 3.544 2.807 ( 3.993 5.743 3.500) 7.822 2.991 ( 1.781 8.140 1.399) 8.450 3.139 ( 11.062 -2.848 5.984) 12.896 3.167 ( -16.614 3.050 8.048) 18.711 3.270 ( 4.312 -2.347 1.057) 5.022 3.433 ( -0.228 -0.204 2.802) 2.819 3.552 ( 3.972 -3.609 11.253) 12.467 3.673 ( -3.160 -5.692 11.235) 12.985 3.724 ( -0.883 -5.099 5.488) 7.543 3.843 ( 2.202 -0.095 -0.524) 2.266 3.980 ( -0.175 1.409 -1.089) 1.790 4.076 ( -1.733 -1.216 -11.131) 11.331 4.213 ( 5.288 -4.922 -2.777) 7.740 4.296 ( 0.076 1.662 -8.062) 8.232 4.361 ( -2.987 0.143 -4.670) 5.545 4.505 ( 13.364 -7.916 -17.535) 23.425 4.670 ( -0.637 1.121 3.806) 4.019 4.776 ( -1.707 6.674 9.931) 12.087 4.846 ( 9.105 0.905 -7.695) 11.955 4.982 ( 13.505 0.064 5.132) 14.447 5.046 ( 7.020 2.276 -0.508) 7.398 5.145 ( 9.920 2.324 -0.932) 10.231 5.179 ( -4.235 -2.492 -0.810) 4.980 5.366 ( -16.497 -1.957 -2.142) 16.750 5.403 ( -10.236 -1.451 2.462) 10.628 5.453 ( -0.227 -1.617 -5.892) 6.114 5.533 ( -4.316 0.423 3.448) 5.540 5.587 ( -3.224 -0.148 -3.594) 4.830 5.673 ( 0.355 -4.530 3.311) 5.622 5.711 ( 0.918 -1.505 1.873) 2.572 5.771 ( 4.274 0.846 -5.725) 7.195 5.863 ( 1.792 4.722 -3.871) 6.363 5.935 ( -4.220 -0.235 3.257) 5.336 5.979 ( 4.259 4.720 -0.370) 6.368 6.039 ( -2.362 5.770 2.064) 6.567 6.214 ( 4.769 8.662 2.787) 10.273 6.284 ( 1.424 -1.939 1.356) 2.762 6.389 ( -1.479 7.381 3.812) 8.438 6.428 ( 4.804 -0.611 -4.195) 6.407 6.570 ( -3.401 -2.974 -1.975) 4.931 6.696 ( -3.267 1.676 2.856) 4.652 6.726 ( -0.591 4.210 6.963) 8.158 6.786 ( -0.964 2.907 0.467) 3.098 6.836 ( 1.639 5.975 -1.420) 6.356 7.010 ( 1.964 2.000 3.602) 4.564 7.129 ( -2.019 0.106 -0.213) 2.033 7.204 ( 4.246 3.930 -1.930) 6.100 7.246 ( -0.580 -0.335 -0.132) 0.683 7.289 ( 0.135 -0.658 1.301) 1.464 7.476 ( -0.903 -0.241 -2.017) 2.223 7.507 ( 2.011 -2.311 -0.079) 3.064 7.541 ( -2.442 -3.017 -1.852) 4.301 7.646 ( -0.705 -2.265 -5.481) 5.972 7.700 ( -2.460 -0.986 -2.552) 3.679 7.769 ( -1.281 0.968 9.546) 9.680 7.930 ( -2.967 -4.004 2.814) 5.723 8.059 ( 2.827 -2.318 1.418) 3.921 8.153 ( -1.856 1.227 3.943) 4.527 8.194 ( 4.966 0.568 0.470) 5.020 8.409 ( -4.493 -2.205 4.007) 6.412 8.425 ( 0.794 -0.320 1.097) 1.391 8.491 ( -0.198 -2.662 -2.100) 3.396 8.698 ( -4.081 6.295 -8.678) 11.471 8.970 ( -2.859 -1.657 -1.723) 3.726 9.024 ( -8.874 -1.143 -5.785) 10.654 9.138 ( -2.042 -3.877 1.701) 4.700 9.341 ( 2.216 3.641 1.721) 4.597 9.508 ( 1.767 -0.508 3.256) 3.739 9.565 ( -1.764 1.432 -1.869) 2.942 9.704 ( 3.079 -1.488 6.194) 7.075 9.853 ( -5.260 -1.573 2.303) 5.954 10.047 ( 1.865 -12.536 3.723) 13.209 10.080 ( -2.123 -3.941 -2.345) 5.053 10.153 ( -4.624 0.051 -0.502) 4.651 10.249 ( 1.429 0.886 5.833) 6.070 10.308 ( -4.597 -2.756 -6.288) 8.262 10.710 ( -1.213 0.442 -0.182) 1.304 10.824 ( 1.341 -1.404 -1.176) 2.270 10.933 ( -2.869 2.378 -7.236) 8.139 10.971 ( 6.450 -3.250 -10.371) 12.638 11.553 ( 3.104 4.535 0.035) 5.495 11.636 ( -2.650 3.808 -0.723) 4.695 12.012 ( 2.876 -5.025 7.510) 9.483 12.231 ( 0.577 -7.830 -4.658) 9.129 12.701 ( -1.104 1.235 0.775) 1.829 12.781 ( -1.290 0.044 -2.012) 2.390 12.890 ( 2.867 2.044 2.524) 4.332 13.129 ( 2.947 -5.506 5.183) 8.116 13.275 ( 4.667 -5.629 -0.763) 7.352 13.342 ( -3.014 -0.596 -5.287) 6.115 13.576 ( 2.101 4.681 3.830) 6.402 13.596 ( 5.467 4.904 2.518) 7.764 13.724 ( 4.329 -0.127 4.207) 6.038 13.809 ( -1.425 -0.365 4.879) 5.096 14.096 ( -4.183 2.627 -2.016) 5.335 14.282 ( -8.549 -2.161 -6.325) 10.852 14.750 ( 6.865 2.193 5.492) 9.061 15.014 ( -2.559 -1.521 3.670) 4.726 15.138 ( -2.017 6.191 0.098) 6.512 15.251 ( -0.213 1.550 -3.461) 3.798 15.351 ( -3.250 -4.091 -1.865) 5.548 15.473 ( -3.216 -1.585 -10.119) 10.735 15.626 ( 2.784 3.412 2.538) 5.083 15.750 ( -2.674 -0.039 -1.573) 3.102 16.052 ( 2.565 -1.234 3.330) 4.381 16.143 ( 2.678 -0.931 1.530) 3.221 16.252 ( 0.619 -1.814 0.641) 2.021 16.333 ( 4.490 1.039 -0.547) 4.641 19.231 ( 4.035 -0.422 3.300) 5.229 19.344 ( 3.475 -3.311 1.733) 5.104 19.513 ( -2.289 2.633 -3.661) 5.057 19.663 ( -6.106 0.221 -3.688) 7.137 24.873 ( -0.015 0.737 -2.055) 2.183 24.920 ( 0.963 -0.331 -4.282) 4.401 24.991 ( 2.233 -0.046 -0.265) 2.249 25.100 ( -1.674 -1.937 -4.871) 5.503 26.324 ( 0.710 0.132 0.626) 0.956 26.332 ( 0.227 0.330 0.509) 0.647 26.675 ( 0.794 0.493 4.524) 4.620 26.727 ( 1.053 0.077 0.792) 1.320 27.559 ( 2.817 2.579 1.013) 3.952 27.648 ( -2.404 2.720 -0.603) 3.680 27.778 ( 3.153 0.393 5.259) 6.145 27.862 ( -3.373 0.543 1.440) 3.708 27.896 ( 0.368 -0.325 -1.410) 1.492 27.959 ( -1.253 -0.626 2.073) 2.502 28.031 ( 2.454 2.305 0.219) 3.374 28.218 ( -2.676 -0.911 -3.341) 4.377 28.282 ( -2.075 0.736 0.323) 2.225 28.349 ( 2.665 2.942 -4.771) 6.207 28.552 ( -6.435 2.082 -0.496) 6.781 28.617 ( 0.543 0.466 -6.372) 6.412 28.896 ( -0.859 -3.802 8.090) 8.980 29.009 ( -0.426 -3.423 3.325) 4.791 29.146 ( 3.619 -8.397 -5.458) 10.649 29.267 ( 0.654 -6.717 -5.266) 8.560 29.643 ( 3.617 10.191 5.906) 12.321 29.841 ( 0.702 3.319 -3.651) 4.984 30.357 ( -3.626 0.063 7.379) 8.222 30.488 ( -2.490 -1.420 0.082) 2.868 ======================= Grid point 109 (56/72) ======================= q-point: (-0.43 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -20.852 3.836 6.244) 22.102 2.258 ( -23.115 10.998 -6.698) 26.460 2.330 ( 3.204 -5.318 -3.094) 6.936 2.537 ( 2.733 6.714 -0.041) 7.248 2.841 ( -7.244 1.444 3.608) 8.220 2.987 ( 4.556 8.130 -2.351) 9.612 3.095 ( -2.828 -5.021 8.608) 10.358 3.279 ( 8.072 -4.376 -2.895) 9.627 3.377 ( -1.963 -3.486 -3.447) 5.281 3.449 ( 5.507 3.014 0.836) 6.333 3.618 ( -8.719 -4.850 7.738) 12.627 3.705 ( -0.822 -8.752 7.063) 11.276 3.812 ( -3.556 -8.436 -2.099) 9.392 3.878 ( 7.257 -1.113 -6.093) 9.541 3.957 ( -0.923 3.446 0.707) 3.637 4.055 ( -0.039 -2.205 -4.563) 5.068 4.121 ( -4.881 4.447 7.075) 9.678 4.197 ( -2.505 1.088 -2.962) 4.029 4.296 ( 0.906 8.789 -7.354) 11.496 4.503 ( 4.817 -9.288 -11.258) 15.369 4.689 ( -3.867 1.407 6.887) 8.023 4.776 ( -4.960 1.384 -4.147) 6.611 4.892 ( -10.420 -0.260 6.813) 12.452 4.939 ( -7.616 3.251 7.525) 11.189 5.023 ( -3.549 2.472 -4.751) 6.425 5.184 ( -4.151 0.419 1.721) 4.513 5.212 ( -12.278 1.633 -6.200) 13.851 5.287 ( 12.570 0.006 2.180) 12.758 5.340 ( 7.368 -1.713 -1.232) 7.664 5.412 ( 11.220 0.743 4.479) 12.104 5.522 ( 0.230 1.326 0.073) 1.348 5.534 ( -0.559 -5.482 0.509) 5.534 5.673 ( -7.005 -1.819 2.159) 7.552 5.710 ( -8.977 1.166 2.478) 9.385 5.799 ( 3.161 0.214 -4.159) 5.228 5.823 ( 0.830 4.956 -2.497) 5.611 5.981 ( 2.220 0.132 -0.997) 2.437 5.991 ( 2.982 -0.203 -1.218) 3.228 6.046 ( -2.172 3.774 8.446) 9.503 6.172 ( 2.193 7.946 -0.505) 8.259 6.305 ( -6.668 1.535 4.767) 8.339 6.423 ( -6.013 -3.323 -8.926) 11.264 6.500 ( 7.177 0.254 -3.322) 7.913 6.518 ( 5.856 -1.889 1.498) 6.333 6.677 ( -1.863 6.256 3.180) 7.261 6.797 ( 1.401 2.873 -0.406) 3.222 6.819 ( 3.707 1.399 0.810) 4.044 6.936 ( 6.015 1.666 -6.153) 8.765 7.010 ( -4.245 4.236 1.036) 6.086 7.120 ( 3.007 0.007 1.255) 3.259 7.196 ( -0.215 -0.908 -3.249) 3.380 7.262 ( 6.153 6.240 -3.571) 9.463 7.372 ( -0.097 -3.067 6.034) 6.770 7.425 ( -3.277 -1.190 -3.785) 5.146 7.476 ( 1.377 -1.660 -1.273) 2.505 7.516 ( 4.205 -1.681 -2.090) 4.987 7.608 ( -3.549 0.000 -3.396) 4.912 7.675 ( 4.743 1.262 0.718) 4.961 7.865 ( 0.582 -3.005 8.460) 8.997 7.976 ( 2.601 -4.807 -3.723) 6.613 8.071 ( -3.089 0.172 7.246) 7.878 8.173 ( -0.445 -0.091 -2.948) 2.983 8.310 ( 1.922 2.448 -2.358) 3.905 8.378 ( 1.630 0.554 -6.076) 6.315 8.420 ( 0.623 -2.919 1.904) 3.540 8.474 ( 1.813 -1.737 -1.005) 2.705 8.699 ( -6.565 3.482 -4.235) 8.553 8.737 ( 7.242 2.908 12.119) 14.414 9.028 ( -3.749 1.014 -2.755) 4.761 9.103 ( 9.200 -0.062 4.868) 10.409 9.413 ( -5.536 1.039 -4.549) 7.240 9.464 ( 4.272 -0.440 3.065) 5.276 9.632 ( -6.223 -3.388 -1.057) 7.164 9.714 ( 5.521 -4.612 5.111) 8.824 9.945 ( -3.450 2.200 -5.439) 6.806 9.984 ( 8.086 4.727 6.713) 11.524 10.058 ( -3.360 -12.249 -0.648) 12.718 10.104 ( 1.481 -11.509 0.777) 11.630 10.283 ( 1.127 -0.682 3.905) 4.122 10.309 ( 1.056 -0.620 -1.500) 1.936 10.687 ( -2.563 2.015 7.672) 8.336 10.774 ( -3.671 0.690 -5.559) 6.698 10.829 ( -3.620 1.660 1.260) 4.177 10.935 ( 0.635 -3.789 -7.225) 8.184 11.572 ( -3.334 5.104 -1.487) 6.275 11.620 ( 3.685 2.380 0.730) 4.447 12.091 ( -3.112 -7.038 4.972) 9.162 12.194 ( 0.908 -6.009 -5.601) 8.264 12.729 ( 1.328 1.451 2.152) 2.915 12.741 ( 0.131 1.074 -2.333) 2.571 13.005 ( -5.304 -2.202 -3.930) 6.958 13.085 ( 7.315 -1.747 3.632) 8.352 13.264 ( -2.330 -1.676 0.381) 2.895 13.355 ( 3.950 -3.137 -5.075) 7.156 13.590 ( -0.954 4.255 1.618) 4.651 13.627 ( 1.140 4.783 -0.916) 5.002 13.897 ( -7.705 -0.476 -8.141) 11.219 13.951 ( 3.332 -0.665 0.545) 3.441 14.057 ( -0.003 1.751 -5.626) 5.892 14.100 ( 13.998 -0.560 9.082) 16.696 14.895 ( -9.064 -0.795 -4.897) 10.333 14.960 ( 4.819 -0.600 6.469) 8.089 15.150 ( -0.652 5.865 3.519) 6.871 15.180 ( 0.436 5.132 0.875) 5.224 15.284 ( -3.164 -4.932 1.710) 6.104 15.396 ( 4.031 -5.342 -4.846) 8.262 15.674 ( -2.507 2.756 -0.496) 3.758 15.711 ( 2.180 3.211 0.634) 3.933 16.108 ( -1.226 -3.665 3.723) 5.366 16.129 ( -2.694 -3.404 -2.445) 4.982 16.275 ( -2.200 1.175 3.612) 4.389 16.328 ( -1.536 0.228 -4.655) 4.908 19.309 ( -3.834 -1.750 -1.542) 4.487 19.350 ( 1.760 -1.482 0.059) 2.302 19.501 ( -4.904 2.737 -3.653) 6.700 19.565 ( 7.196 0.426 4.749) 8.633 24.860 ( -0.701 0.921 0.567) 1.289 24.882 ( -0.574 0.032 -3.331) 3.380 25.010 ( -3.098 -1.034 -1.721) 3.692 25.034 ( 0.945 -0.790 0.724) 1.429 26.311 ( -2.139 0.607 1.195) 2.524 26.357 ( 1.593 -0.075 -0.885) 1.824 26.710 ( -1.127 -0.200 2.150) 2.436 26.739 ( 0.368 0.638 -0.708) 1.022 27.587 ( -2.910 2.967 -1.508) 4.421 27.628 ( 2.992 2.675 1.181) 4.184 27.830 ( -1.849 0.793 1.411) 2.457 27.862 ( 1.533 -0.059 2.072) 2.578 27.914 ( -2.872 -0.693 -1.544) 3.333 27.937 ( 2.297 -1.373 2.373) 3.576 28.080 ( -5.877 1.839 -4.812) 7.815 28.122 ( 3.660 1.493 3.576) 5.330 28.263 ( -1.231 -0.476 1.409) 1.931 28.367 ( 4.782 3.778 -4.922) 7.833 28.478 ( -3.690 0.470 4.000) 5.462 28.603 ( 4.585 1.845 -3.567) 6.095 28.944 ( -2.996 -5.235 8.095) 10.095 29.014 ( -1.603 -4.302 0.118) 4.592 29.166 ( 0.056 -7.962 -3.707) 8.783 29.198 ( 2.353 -6.457 -4.571) 8.254 29.742 ( -0.241 8.262 4.592) 9.455 29.801 ( -0.925 6.841 -6.466) 9.459 30.415 ( 2.840 -0.262 6.985) 7.544 30.469 ( 3.054 -1.689 -2.430) 4.252 ======================= Grid point 110 (57/72) ======================= q-point: (-0.29 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -29.134 11.210 1.620) 31.259 1.791 ( -22.283 15.555 19.255) 33.306 2.320 ( -14.074 1.503 5.230) 15.089 2.482 ( -4.447 0.539 7.156) 8.443 2.713 ( -6.101 2.530 -1.713) 6.823 2.907 ( -9.111 -0.236 -4.185) 10.029 3.144 ( -18.309 3.911 6.711) 19.888 3.165 ( 0.156 -6.262 -4.307) 7.602 3.328 ( -7.046 -0.581 -1.335) 7.195 3.463 ( -19.586 5.271 7.964) 21.790 3.586 ( 8.654 -1.343 -5.168) 10.168 3.653 ( 5.435 -2.369 -2.061) 6.277 3.700 ( 2.552 -6.570 -7.349) 10.183 3.932 ( -0.235 2.200 -3.504) 4.144 3.971 ( -2.659 -0.307 -4.155) 4.942 4.050 ( 3.219 0.492 2.843) 4.323 4.122 ( 10.111 -1.923 -5.938) 11.882 4.199 ( -0.024 -4.131 2.379) 4.767 4.324 ( 6.659 9.052 -2.284) 11.467 4.525 ( 5.875 -3.969 -1.196) 7.190 4.581 ( -11.775 -4.391 2.727) 12.860 4.654 ( -3.284 -1.367 1.541) 3.876 4.758 ( -11.034 -3.048 -2.623) 11.744 4.829 ( -7.604 7.452 -5.985) 12.214 4.921 ( -3.081 4.159 -5.069) 7.245 5.024 ( -0.804 6.128 6.758) 9.158 5.203 ( -2.603 -2.258 4.795) 5.905 5.296 ( -7.366 -5.643 3.151) 9.800 5.423 ( -10.078 -1.518 0.165) 10.193 5.483 ( -5.577 2.575 7.361) 9.587 5.521 ( -1.715 -2.437 1.250) 3.231 5.573 ( -4.415 -4.140 0.378) 6.065 5.659 ( -2.080 1.668 3.943) 4.759 5.703 ( 2.385 -3.462 5.096) 6.606 5.774 ( 2.017 1.656 -2.519) 3.627 5.826 ( -0.659 -0.702 -2.830) 2.990 5.906 ( 5.885 6.615 -0.062) 8.854 6.005 ( -1.079 -2.592 -2.324) 3.645 6.100 ( 0.115 4.150 -6.883) 8.038 6.202 ( -0.611 -2.423 -3.360) 4.188 6.267 ( -1.381 4.188 2.460) 5.049 6.333 ( 5.245 -1.533 5.759) 7.939 6.579 ( 6.877 7.898 -5.857) 11.999 6.601 ( -2.730 4.296 5.690) 7.634 6.705 ( 8.660 2.336 -2.820) 9.402 6.833 ( -1.265 0.219 -2.425) 2.744 6.855 ( 3.855 1.418 2.535) 4.827 6.882 ( 0.440 -0.011 -5.760) 5.776 6.987 ( -0.276 0.013 -3.497) 3.508 7.160 ( 0.214 0.892 -1.474) 1.736 7.196 ( 1.712 -0.883 5.490) 5.818 7.301 ( 2.244 2.552 -7.199) 7.961 7.363 ( 6.133 1.384 -5.670) 8.466 7.449 ( 1.220 -0.378 -0.302) 1.313 7.496 ( -0.183 -2.095 1.112) 2.379 7.566 ( 1.031 -5.107 5.435) 7.529 7.630 ( 4.555 0.621 -1.278) 4.772 7.739 ( 2.329 -3.154 -0.597) 3.966 7.936 ( 4.286 1.967 -5.312) 7.103 7.973 ( -0.472 -5.329 2.575) 5.937 8.028 ( -1.740 3.301 0.178) 3.736 8.123 ( 3.449 0.088 -1.619) 3.811 8.270 ( 0.997 -0.410 -5.586) 5.689 8.409 ( 1.626 -3.743 0.312) 4.093 8.460 ( 0.433 -4.069 3.690) 5.509 8.541 ( 3.996 -1.727 -1.010) 4.469 8.696 ( 3.630 9.371 5.376) 11.397 9.015 ( 6.744 -2.152 6.563) 9.653 9.065 ( 3.468 -0.862 3.647) 5.106 9.172 ( -3.489 -3.659 -5.969) 7.822 9.360 ( 1.093 -0.460 2.671) 2.922 9.492 ( -3.536 1.121 -2.032) 4.230 9.564 ( 2.464 -0.378 1.435) 2.876 9.779 ( 3.612 -1.236 -5.548) 6.734 9.928 ( -0.325 -5.062 1.009) 5.172 10.016 ( 0.056 -4.509 0.971) 4.612 10.128 ( 3.989 -4.738 2.236) 6.585 10.223 ( 4.173 4.124 3.432) 6.797 10.252 ( -3.897 -2.920 -5.626) 7.440 10.389 ( 9.766 2.479 1.691) 10.217 10.701 ( -4.535 -2.024 1.688) 5.245 10.734 ( -1.710 0.595 4.840) 5.168 10.789 ( -2.680 -0.846 0.686) 2.893 10.855 ( -4.141 3.763 4.229) 7.013 11.490 ( -3.808 6.513 -0.266) 7.549 11.704 ( 4.974 1.515 0.260) 5.206 12.002 ( -5.059 -7.604 -4.197) 10.051 12.197 ( 2.140 -4.554 4.586) 6.808 12.750 ( 2.047 -0.868 -1.103) 2.482 12.807 ( 6.054 -0.147 3.142) 6.822 12.901 ( 1.777 2.969 -1.610) 3.817 13.155 ( -5.158 -4.437 -10.513) 12.523 13.202 ( -3.808 -2.916 -3.297) 5.820 13.334 ( -1.468 -1.965 0.305) 2.472 13.535 ( -4.513 4.484 -5.540) 8.436 13.615 ( 1.403 2.270 -2.790) 3.861 13.719 ( 0.494 0.796 0.751) 1.200 13.867 ( -0.881 0.099 -1.725) 1.940 14.190 ( 7.261 2.776 0.514) 7.790 14.398 ( 8.046 -4.509 2.383) 9.526 14.697 ( -2.407 4.980 -2.489) 6.065 15.046 ( -1.689 -1.865 2.563) 3.592 15.176 ( 1.879 4.130 -1.744) 4.861 15.214 ( 1.266 0.803 2.522) 2.934 15.334 ( -0.912 -4.494 6.991) 8.361 15.467 ( 4.103 -2.827 1.851) 5.315 15.613 ( -1.214 4.527 -2.112) 5.141 15.766 ( 1.755 -0.860 2.264) 2.991 16.011 ( -5.745 -2.166 -2.878) 6.781 16.079 ( -5.112 -0.739 -0.472) 5.187 16.204 ( -7.005 0.760 0.140) 7.048 16.226 ( -5.422 -3.632 -0.619) 6.555 19.189 ( -4.049 2.087 -2.837) 5.366 19.316 ( -1.866 -1.380 -1.991) 3.058 19.511 ( 1.903 2.777 3.282) 4.702 19.735 ( 5.490 -1.033 2.480) 6.112 24.843 ( -1.206 0.444 1.024) 1.643 24.861 ( -1.126 0.792 2.369) 2.740 24.936 ( -3.262 0.006 0.126) 3.264 25.063 ( -0.711 -1.768 3.303) 3.813 26.279 ( -2.390 1.039 0.932) 2.768 26.363 ( 0.521 -0.440 -1.824) 1.948 26.687 ( -1.520 0.455 -0.877) 1.813 26.720 ( -0.993 0.789 -2.365) 2.684 27.519 ( -2.558 2.715 -0.698) 3.795 27.682 ( 1.632 2.190 0.357) 2.754 27.776 ( -2.854 0.024 -4.391) 5.237 27.852 ( -1.573 1.280 2.574) 3.277 27.909 ( 1.187 -0.372 1.937) 2.302 27.972 ( -2.672 1.684 0.766) 3.250 28.009 ( 1.997 -0.310 0.258) 2.037 28.212 ( 2.248 1.627 3.468) 4.441 28.274 ( 0.016 -2.096 2.833) 3.524 28.375 ( 1.638 3.314 -5.034) 6.245 28.476 ( -2.049 -1.812 5.402) 6.055 28.731 ( 8.356 2.078 1.590) 8.756 28.942 ( -3.443 -3.296 -1.960) 5.154 28.983 ( -0.814 -4.750 5.620) 7.403 29.094 ( -0.466 -5.518 -4.562) 7.175 29.239 ( 1.418 -5.013 -0.516) 5.235 29.659 ( -3.160 6.579 -7.435) 10.418 29.784 ( -0.441 2.400 4.977) 5.543 30.521 ( 5.777 -0.512 -5.620) 8.076 30.568 ( 6.387 0.722 0.184) 6.430 ======================= Grid point 111 (58/72) ======================= q-point: (-0.14 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 1.013 11.041 36.026) 37.693 1.720 ( -13.328 17.931 29.342) 36.880 2.146 ( -9.138 3.253 10.755) 14.483 2.450 ( -11.624 1.315 10.877) 15.974 2.582 ( -6.327 2.193 -6.438) 9.289 2.700 ( -4.961 7.674 6.313) 11.106 2.837 ( -15.222 5.474 6.345) 17.377 3.062 ( -11.837 13.114 -4.136) 18.143 3.224 ( 0.584 -4.813 0.517) 4.876 3.300 ( -0.212 -7.820 -2.586) 8.240 3.364 ( -8.699 -2.216 -10.079) 13.497 3.725 ( -6.771 2.609 -15.241) 16.880 3.778 ( 7.576 4.444 -4.154) 9.716 3.901 ( -0.471 -2.041 -3.000) 3.659 3.954 ( 8.768 -3.578 4.129) 10.331 4.152 ( -0.527 2.887 3.950) 4.921 4.198 ( 4.629 -5.466 -5.406) 8.974 4.284 ( 1.002 -2.883 -0.814) 3.159 4.369 ( -6.001 -3.080 5.380) 8.628 4.430 ( 5.229 6.032 -5.256) 9.558 4.477 ( -1.604 -2.275 -8.143) 8.605 4.581 ( -2.921 -1.188 0.164) 3.158 4.714 ( -0.141 4.305 2.470) 4.965 4.797 ( -1.919 0.377 -6.495) 6.783 4.802 ( 3.116 -4.384 3.971) 6.686 5.012 ( -7.395 3.615 0.113) 8.232 5.165 ( -3.350 0.116 1.350) 3.613 5.195 ( -4.908 1.116 3.292) 6.014 5.251 ( -6.449 1.601 -3.515) 7.517 5.362 ( -6.811 -3.985 -5.765) 9.773 5.453 ( -3.876 2.492 4.402) 6.373 5.475 ( -8.180 -4.842 -2.589) 9.852 5.616 ( -2.811 -5.126 6.252) 8.559 5.711 ( 5.685 -1.670 -6.103) 8.506 5.762 ( -1.774 -4.506 0.572) 4.876 5.801 ( 1.535 3.896 0.583) 4.228 5.914 ( -4.406 4.868 6.879) 9.509 6.039 ( 2.059 -2.813 0.653) 3.547 6.145 ( -1.273 6.837 4.006) 8.026 6.266 ( 7.233 -0.841 -0.135) 7.283 6.296 ( -0.197 3.334 2.977) 4.475 6.430 ( 2.983 1.346 -0.267) 3.283 6.574 ( -0.768 5.558 -0.587) 5.641 6.640 ( 1.548 2.144 -0.876) 2.785 6.739 ( -5.112 -0.630 -6.259) 8.106 6.768 ( -3.472 -5.011 -1.709) 6.331 6.897 ( 4.251 0.486 1.577) 4.560 6.951 ( 2.734 1.407 -1.241) 3.316 7.029 ( 9.239 5.120 3.423) 11.103 7.153 ( -0.198 -1.970 -12.658) 12.812 7.219 ( 2.113 -1.132 -2.848) 3.723 7.331 ( 2.243 0.592 8.518) 8.828 7.427 ( -2.024 -1.514 -1.450) 2.914 7.492 ( 9.076 -1.522 -1.095) 9.267 7.519 ( 5.069 -3.597 -0.505) 6.237 7.640 ( 1.093 -3.306 5.067) 6.148 7.694 ( 4.980 2.341 2.824) 6.185 7.775 ( 1.771 -1.114 -0.090) 2.094 7.934 ( -0.645 -2.913 1.376) 3.285 8.043 ( 7.265 -1.768 1.543) 7.634 8.156 ( 5.229 2.294 1.028) 5.802 8.191 ( 3.501 -0.786 -0.836) 3.684 8.231 ( 3.385 -0.050 -2.161) 4.016 8.418 ( -1.864 -7.688 0.512) 7.928 8.496 ( -0.357 -4.231 2.116) 4.744 8.570 ( 0.824 -1.678 -2.909) 3.458 8.798 ( -1.169 3.685 1.379) 4.105 9.017 ( 1.961 -0.323 -3.423) 3.958 9.035 ( -0.454 -2.945 -1.162) 3.198 9.287 ( 3.942 -3.468 1.479) 5.455 9.352 ( -5.027 0.437 -1.138) 5.172 9.411 ( 2.487 -0.543 4.196) 4.908 9.601 ( 1.581 2.095 -2.105) 3.365 9.764 ( -12.675 -0.673 -5.985) 14.033 9.838 ( -4.030 -3.251 -4.522) 6.874 9.983 ( -1.084 4.214 -5.782) 7.236 10.067 ( -2.626 -6.611 -4.988) 8.688 10.207 ( 5.288 8.429 0.164) 9.952 10.288 ( 1.152 -0.374 -3.367) 3.578 10.536 ( 0.861 2.699 2.113) 3.534 10.583 ( -8.101 3.860 -6.980) 11.368 10.663 ( -7.001 1.472 1.822) 7.382 10.771 ( -0.201 -1.034 3.833) 3.975 10.850 ( -3.281 -0.358 3.656) 4.925 11.463 ( -0.547 3.535 3.295) 4.863 11.790 ( 3.885 2.091 -1.093) 4.546 11.918 ( 1.699 -6.161 -0.670) 6.426 12.234 ( -5.768 -5.968 -3.592) 9.044 12.848 ( -0.069 -1.088 -4.389) 4.522 12.854 ( -1.534 2.446 -2.349) 3.722 13.049 ( -1.365 -2.003 -3.211) 4.023 13.146 ( 4.227 0.454 3.195) 5.318 13.198 ( 17.042 -1.531 12.549) 21.219 13.254 ( 16.626 -0.750 9.066) 18.952 13.483 ( -1.296 3.838 -1.834) 4.446 13.668 ( 3.947 -0.522 0.528) 4.016 13.783 ( 1.762 -0.153 4.167) 4.527 13.892 ( 4.766 -2.126 6.771) 8.548 14.345 ( 7.320 1.623 2.923) 8.048 14.473 ( 2.516 -3.871 1.287) 4.792 14.754 ( 5.501 5.005 -0.909) 7.493 14.965 ( -7.839 -0.380 -1.175) 7.936 15.101 ( -4.012 0.865 -8.199) 9.169 15.278 ( -11.898 -2.133 0.407) 12.094 15.301 ( 3.523 0.814 1.911) 4.090 15.480 ( -0.748 0.317 -3.320) 3.418 15.632 ( 1.653 1.827 2.430) 3.460 15.782 ( -2.335 -5.216 -0.722) 5.760 15.889 ( -5.252 -0.677 -1.244) 5.440 15.964 ( -5.175 -0.941 -2.525) 5.834 16.061 ( -4.748 4.180 4.095) 7.536 16.184 ( -1.432 -5.314 2.744) 6.150 19.132 ( 0.177 3.802 0.010) 3.806 19.334 ( 3.445 -1.524 2.807) 4.697 19.507 ( -3.988 2.916 -2.154) 5.389 19.775 ( -1.129 -1.437 -3.111) 3.607 24.870 ( -0.838 0.310 2.830) 2.968 24.894 ( 1.198 -0.638 3.637) 3.883 24.907 ( 1.747 0.021 2.898) 3.384 25.070 ( -2.581 -2.268 3.854) 5.163 26.249 ( -1.880 1.417 1.208) 2.646 26.342 ( -0.256 -0.141 -2.461) 2.478 26.650 ( -1.351 0.631 -1.249) 1.945 26.663 ( -1.060 1.115 -3.749) 4.052 27.524 ( 2.720 1.951 2.894) 4.425 27.679 ( -0.171 -0.376 -0.857) 0.951 27.748 ( 1.926 3.357 -0.756) 3.944 27.867 ( -0.876 2.176 3.870) 4.526 27.920 ( -3.438 0.968 -0.124) 3.574 27.953 ( 0.827 -0.723 1.890) 2.186 28.033 ( 0.723 0.960 -0.321) 1.244 28.233 ( -3.321 1.703 -0.406) 3.754 28.329 ( 4.626 -2.601 1.062) 5.412 28.378 ( -0.652 -0.447 4.439) 4.509 28.511 ( 2.156 -0.657 2.154) 3.117 28.821 ( -3.313 -2.621 -0.018) 4.224 28.847 ( -1.967 -4.171 0.553) 4.644 29.008 ( -0.860 1.658 -2.728) 3.306 29.141 ( 6.582 -4.515 2.128) 8.260 29.223 ( -0.559 -4.061 -2.638) 4.875 29.597 ( 4.870 6.049 -2.311) 8.102 29.886 ( 2.333 -0.980 11.089) 11.374 30.506 ( -4.760 2.039 -12.210) 13.263 30.524 ( -0.426 0.902 -11.283) 11.327 ======================= Grid point 112 (59/72) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -3.018 14.788 17.000) 22.733 2.213 ( 8.620 10.795 25.138) 28.684 2.295 ( 4.480 4.341 9.725) 11.554 2.429 ( -5.262 1.846 10.917) 12.259 2.515 ( 4.293 -0.239 -0.833) 4.379 2.835 ( -1.236 -3.089 -13.421) 13.828 2.928 ( 0.071 5.181 6.444) 8.268 3.003 ( -0.532 -0.382 -6.998) 7.029 3.167 ( 6.142 -1.920 -5.805) 8.667 3.307 ( 10.342 4.064 5.168) 12.255 3.372 ( -5.787 3.226 -17.172) 18.405 3.520 ( -4.656 5.477 -5.761) 9.212 3.660 ( -6.054 8.342 12.671) 16.334 3.928 ( 1.307 -4.985 0.647) 5.194 4.031 ( 3.604 5.148 -1.912) 6.568 4.091 ( -3.695 3.963 -3.513) 6.458 4.200 ( -6.161 0.884 4.297) 7.563 4.262 ( 3.191 2.474 -0.655) 4.090 4.365 ( 0.938 2.421 3.695) 4.516 4.423 ( -4.788 -0.504 0.983) 4.914 4.526 ( -3.082 -4.290 -6.724) 8.551 4.564 ( 8.093 -0.063 -9.617) 12.569 4.674 ( -2.400 2.194 9.502) 10.043 4.715 ( -4.123 -1.523 3.885) 5.866 4.773 ( 0.306 -5.743 -0.454) 5.769 5.001 ( 1.539 1.552 -7.001) 7.334 5.037 ( 1.480 -1.252 -6.494) 6.777 5.129 ( -3.593 -3.160 -6.298) 7.909 5.190 ( -0.633 -0.994 0.629) 1.336 5.262 ( -1.150 -2.079 -3.294) 4.061 5.326 ( 7.724 2.206 6.388) 10.263 5.484 ( -2.860 -1.412 -4.972) 5.907 5.562 ( 6.425 -11.429 1.079) 13.155 5.661 ( -0.828 -3.969 -8.044) 9.008 5.822 ( 4.837 10.443 11.914) 16.565 5.883 ( -6.789 5.687 2.105) 9.103 5.916 ( -0.974 -6.566 10.084) 12.072 6.082 ( 4.150 0.303 1.757) 4.517 6.259 ( 2.237 -2.371 -0.395) 3.284 6.276 ( -6.273 -6.663 0.755) 9.183 6.337 ( 1.609 9.089 9.236) 13.058 6.484 ( 2.010 3.426 -4.226) 5.800 6.531 ( -6.190 0.518 -4.870) 7.893 6.616 ( -3.407 5.380 -9.305) 11.276 6.664 ( 4.702 -4.201 4.916) 7.995 6.814 ( 4.483 1.942 2.217) 5.365 6.886 ( -3.396 0.620 -3.415) 4.856 6.920 ( -1.960 -3.138 -13.587) 14.082 7.047 ( 0.960 0.378 4.284) 4.407 7.142 ( -0.085 -2.146 -1.103) 2.414 7.219 ( -2.967 -0.847 -1.661) 3.504 7.276 ( 3.016 1.650 -2.682) 4.360 7.410 ( -3.095 -1.992 2.810) 4.631 7.477 ( 2.993 -4.824 -2.770) 6.317 7.618 ( -2.104 -1.326 7.437) 7.842 7.692 ( 6.265 -3.284 2.313) 7.442 7.802 ( -1.168 1.864 1.782) 2.831 7.841 ( 2.018 1.806 -1.664) 3.179 7.915 ( -0.536 -2.067 4.735) 5.194 8.029 ( 1.052 -6.931 -3.364) 7.775 8.195 ( 1.540 -2.738 -0.698) 3.218 8.216 ( -1.879 -1.315 -0.737) 2.409 8.266 ( 3.255 -1.627 0.199) 3.645 8.284 ( -1.575 -0.916 -1.274) 2.223 8.467 ( 0.649 1.935 2.396) 3.147 8.512 ( -1.271 0.195 -1.698) 2.130 8.828 ( 6.618 -0.646 3.856) 7.687 8.925 ( -5.423 -6.390 -2.119) 8.644 9.103 ( 2.272 -1.150 -3.154) 4.054 9.136 ( -8.795 -2.673 -4.195) 10.104 9.297 ( 1.059 2.158 2.558) 3.510 9.365 ( -0.502 -1.409 -2.695) 3.082 9.643 ( -2.887 3.879 1.812) 5.164 9.684 ( -0.924 6.323 -2.732) 6.950 9.798 ( 3.363 0.875 5.341) 6.372 9.940 ( 2.218 -2.796 -5.178) 6.289 10.099 ( 5.159 5.021 3.854) 8.166 10.230 ( -6.864 3.190 -5.654) 9.447 10.349 ( 0.434 -3.531 -2.634) 4.427 10.373 ( -5.762 -2.532 -3.034) 6.987 10.578 ( 1.277 3.765 1.455) 4.234 10.625 ( -7.990 1.777 -2.354) 8.517 10.791 ( 0.818 1.990 2.301) 3.150 10.822 ( 2.991 0.126 0.092) 2.995 11.623 ( 3.117 4.398 7.685) 9.387 11.803 ( -0.970 -0.650 -7.096) 7.191 11.914 ( 0.865 -4.246 4.751) 6.430 11.987 ( -1.602 -4.563 -2.176) 5.303 12.766 ( -1.705 -0.680 0.102) 1.838 12.785 ( 0.022 -1.402 -1.234) 1.868 13.053 ( -0.964 2.017 0.209) 2.245 13.098 ( -0.967 0.397 -3.043) 3.217 13.436 ( 3.978 4.233 2.720) 6.414 13.483 ( -2.047 3.895 -2.670) 5.147 13.640 ( 1.371 -4.219 2.606) 5.145 13.671 ( -0.090 -4.173 -0.104) 4.175 14.176 ( 20.690 -1.585 13.991) 25.026 14.192 ( 25.672 -4.509 16.074) 30.623 14.397 ( -11.066 0.338 -4.968) 12.135 14.446 ( -9.230 -3.081 -5.235) 11.050 14.789 ( -7.621 1.662 -0.697) 7.831 14.829 ( -6.232 2.183 -3.875) 7.656 14.862 ( -0.263 0.392 1.230) 1.318 14.994 ( -3.363 -3.036 -8.328) 9.480 15.425 ( 2.492 3.264 -0.478) 4.134 15.435 ( -0.865 1.138 -0.916) 1.698 15.668 ( -1.574 0.658 3.353) 3.762 15.745 ( -1.360 -2.660 4.212) 5.164 15.755 ( -0.216 0.378 -3.589) 3.616 15.830 ( 0.884 -2.490 -2.971) 3.976 16.143 ( 0.386 1.358 3.387) 3.669 16.182 ( 2.709 -0.772 0.321) 2.835 19.284 ( 5.509 4.030 3.295) 7.579 19.369 ( -2.989 1.362 -2.562) 4.166 19.487 ( 2.707 0.075 2.109) 3.433 19.595 ( -6.816 -3.366 -6.140) 9.771 24.898 ( 0.848 0.600 2.106) 2.348 24.921 ( 0.083 1.447 0.332) 1.487 24.965 ( 1.208 -3.290 3.054) 4.649 25.008 ( 1.153 -3.192 -0.412) 3.419 26.283 ( -0.370 1.875 1.927) 2.714 26.320 ( -0.052 0.145 -1.162) 1.172 26.610 ( -1.938 0.803 -0.628) 2.190 26.641 ( 0.853 -0.367 -3.241) 3.372 27.654 ( 3.110 0.989 1.780) 3.717 27.673 ( -0.138 0.006 -0.098) 0.169 27.820 ( -0.037 0.729 0.477) 0.872 27.843 ( -1.705 -0.050 -1.366) 2.185 27.960 ( -1.099 4.238 3.902) 5.864 27.993 ( 0.702 2.870 0.967) 3.108 28.133 ( 4.558 1.673 0.276) 4.863 28.151 ( -4.793 -0.443 -0.406) 4.831 28.317 ( -5.218 -1.766 5.661) 7.899 28.392 ( 5.861 -2.551 -0.561) 6.417 28.575 ( 1.959 -3.317 2.141) 4.407 28.619 ( -4.891 -3.643 -1.540) 6.290 28.840 ( -0.487 1.991 4.588) 5.025 28.958 ( 1.843 -1.048 -5.339) 5.744 29.116 ( -2.351 -1.949 0.926) 3.191 29.170 ( 1.244 -2.418 -3.359) 4.322 29.933 ( 12.343 4.414 9.781) 16.355 30.040 ( 3.867 -1.118 10.821) 11.545 30.237 ( -12.134 5.689 -14.160) 19.496 30.362 ( -4.243 -1.929 -13.974) 14.730 ======================= Grid point 113 (60/72) ======================= q-point: ( 0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -1.805 3.087 -2.022) 4.108 2.306 ( 0.946 4.140 5.925) 7.289 2.435 ( -0.829 7.688 -19.123) 20.627 2.453 ( 7.273 7.305 -4.061) 11.080 2.620 ( 5.136 0.929 -2.579) 5.822 2.729 ( 8.365 4.567 14.550) 17.393 2.904 ( -3.891 -0.965 3.947) 5.626 3.068 ( -0.594 5.387 -5.804) 7.941 3.154 ( 6.390 7.956 -9.177) 13.724 3.271 ( 0.394 -3.546 -4.014) 5.370 3.462 ( 14.326 -4.076 5.642) 15.927 3.682 ( 17.828 -1.969 4.328) 18.451 3.809 ( -6.385 0.164 9.749) 11.655 3.915 ( -2.686 9.295 0.463) 9.686 3.995 ( 1.634 -6.795 -4.548) 8.338 4.055 ( 3.084 6.162 -1.383) 7.028 4.088 ( -8.611 5.811 1.114) 10.448 4.244 ( -10.886 -0.584 3.507) 11.452 4.343 ( 2.389 -2.103 0.593) 3.237 4.411 ( 0.968 1.564 -7.664) 7.882 4.470 ( 5.522 1.346 2.791) 6.332 4.656 ( 10.262 1.983 -2.921) 10.852 4.701 ( -1.399 -4.131 4.573) 6.319 4.743 ( 1.525 -2.301 -3.915) 4.790 4.847 ( 2.813 -3.537 8.611) 9.725 4.978 ( -7.818 -7.507 10.791) 15.294 5.062 ( 2.269 -1.795 -3.639) 4.649 5.088 ( 10.831 5.915 -6.400) 13.901 5.192 ( 1.630 -0.147 0.973) 1.904 5.236 ( 2.784 -1.905 0.546) 3.418 5.377 ( 2.683 0.845 -6.673) 7.242 5.528 ( 5.449 -6.045 -0.011) 8.138 5.621 ( 5.692 5.847 -4.446) 9.292 5.669 ( 1.191 -2.092 1.716) 2.957 5.803 ( -0.846 2.895 0.627) 3.080 5.931 ( 0.448 3.799 0.961) 3.944 6.053 ( -0.865 1.760 1.028) 2.214 6.129 ( 7.477 -0.571 -8.772) 11.541 6.222 ( 0.531 -5.065 5.538) 7.524 6.326 ( 1.184 -0.581 3.994) 4.206 6.354 ( -2.953 2.656 -3.716) 5.439 6.466 ( 0.089 2.875 -1.961) 3.481 6.508 ( -0.793 5.518 9.003) 10.589 6.556 ( 2.658 1.306 0.398) 2.989 6.702 ( -3.504 -1.109 -6.764) 7.698 6.829 ( 0.361 -2.025 -3.895) 4.405 6.871 ( 8.720 -1.085 6.927) 11.189 6.926 ( 3.759 1.215 1.388) 4.187 7.077 ( -2.359 -0.378 -0.643) 2.474 7.099 ( -1.384 -0.952 0.611) 1.787 7.185 ( -2.226 0.388 0.180) 2.267 7.237 ( -5.609 0.364 -0.720) 5.667 7.353 ( -3.981 0.908 1.006) 4.205 7.466 ( -1.074 -5.683 -2.059) 6.139 7.576 ( -4.929 0.969 0.089) 5.024 7.716 ( -1.967 -2.063 -2.606) 3.862 7.770 ( -3.809 -2.358 -1.670) 4.781 7.811 ( -3.082 2.064 -1.941) 4.187 7.892 ( -5.166 -2.117 -0.119) 5.584 7.942 ( -5.774 -5.403 -3.418) 8.615 8.082 ( -6.355 -3.258 1.060) 7.220 8.192 ( -4.124 -3.273 -1.662) 5.521 8.298 ( 3.488 0.587 -2.468) 4.314 8.370 ( 4.660 0.950 1.860) 5.106 8.455 ( -2.623 0.552 -0.783) 2.792 8.500 ( -0.717 -0.481 0.816) 1.188 8.744 ( -3.149 0.072 1.895) 3.676 8.891 ( -4.408 -5.819 1.326) 7.420 9.065 ( 2.299 0.022 4.543) 5.092 9.217 ( 0.353 -0.681 -2.020) 2.161 9.290 ( 3.185 -3.308 3.843) 5.988 9.431 ( 3.718 -4.530 -2.038) 6.204 9.649 ( 1.121 6.501 2.938) 7.221 9.730 ( -6.198 3.521 -2.349) 7.505 9.776 ( 4.871 2.216 2.590) 5.945 9.850 ( -2.095 -3.708 -0.808) 4.334 10.017 ( -7.407 4.871 -1.656) 9.019 10.192 ( -5.391 -3.335 0.547) 6.363 10.362 ( 2.058 6.830 4.511) 8.440 10.475 ( 9.438 -1.127 3.234) 10.040 10.547 ( 3.703 0.131 3.521) 5.112 10.660 ( 0.364 -2.682 4.709) 5.431 10.835 ( 3.306 2.378 -1.597) 4.375 10.890 ( 6.076 -0.925 -2.998) 6.838 11.642 ( -4.274 1.807 -6.813) 8.243 11.705 ( -2.168 -0.227 4.581) 5.073 11.909 ( 0.721 1.304 0.179) 1.501 12.090 ( 6.082 -6.739 -0.278) 9.083 12.752 ( -1.451 -0.534 1.904) 2.453 12.785 ( 0.943 -2.681 1.087) 3.043 13.020 ( -1.611 3.776 1.372) 4.329 13.142 ( 3.650 -1.579 1.021) 4.106 13.378 ( -7.078 3.775 -5.818) 9.909 13.497 ( 1.267 3.451 1.546) 3.988 13.533 ( -17.503 -4.076 -8.543) 19.899 13.639 ( -2.489 -3.136 0.048) 4.004 13.892 ( -15.929 0.264 -9.376) 18.485 14.002 ( -15.743 -4.879 -10.340) 19.456 14.424 ( -3.931 1.641 0.073) 4.261 14.465 ( -2.746 -1.126 0.106) 2.970 14.795 ( 0.159 4.661 3.236) 5.677 14.905 ( 3.116 -0.763 3.660) 4.867 14.997 ( 10.658 1.335 1.908) 10.909 15.120 ( 17.116 -5.105 7.662) 19.435 15.392 ( -1.079 3.119 -2.310) 4.029 15.474 ( 2.519 -0.131 -1.189) 2.789 15.681 ( -1.566 1.139 3.867) 4.325 15.724 ( 0.483 1.572 -0.324) 1.676 15.834 ( 6.456 -2.419 2.928) 7.490 15.870 ( 5.548 -2.829 -2.319) 6.645 16.172 ( 1.042 0.528 -0.338) 1.215 16.218 ( 3.319 0.184 -3.921) 5.141 19.220 ( -4.527 2.828 -2.722) 5.992 19.353 ( -4.915 -3.164 -3.046) 6.591 19.511 ( 4.940 3.459 2.649) 6.587 19.640 ( 5.193 -2.571 5.150) 7.753 24.916 ( 0.769 0.482 -0.979) 1.334 24.944 ( -0.070 -0.364 -0.888) 0.962 24.954 ( 1.140 0.436 -1.068) 1.622 25.069 ( 3.989 -5.017 -1.993) 6.712 26.296 ( -0.023 1.183 0.738) 1.394 26.316 ( 0.488 0.430 -0.118) 0.661 26.595 ( -0.465 1.437 2.290) 2.743 26.646 ( 1.727 -0.876 -0.561) 2.016 27.622 ( -2.675 1.828 -2.347) 4.001 27.672 ( -0.668 -0.485 -1.022) 1.313 27.802 ( -1.392 3.130 0.850) 3.529 27.885 ( 2.874 -0.992 1.852) 3.560 27.966 ( -1.416 1.914 1.290) 2.708 28.004 ( 0.158 4.395 -0.613) 4.441 28.050 ( -4.292 -0.369 -0.446) 4.331 28.207 ( -0.138 -4.527 1.597) 4.803 28.315 ( 2.293 4.419 1.772) 5.285 28.481 ( 4.067 -1.161 -4.209) 5.967 28.508 ( -3.315 -2.361 0.404) 4.090 28.652 ( 1.415 -7.102 3.995) 8.270 28.881 ( 0.372 2.515 2.427) 3.515 28.926 ( 0.373 1.141 -3.605) 3.800 29.099 ( -1.687 -2.336 1.981) 3.497 29.170 ( 1.930 -3.761 -1.738) 4.571 29.834 ( -10.635 9.451 -10.434) 17.644 30.086 ( -6.663 -4.593 -10.668) 13.391 30.270 ( 7.071 1.043 10.591) 12.777 30.274 ( 3.838 0.862 10.753) 11.450 ======================= Grid point 114 (61/72) ======================= q-point: ( 0.29 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.008 ( 2.442 6.617 -17.953) 19.289 2.266 ( -3.769 -4.766 -2.793) 6.687 2.499 ( 8.925 7.997 -8.968) 14.968 2.664 ( 10.817 1.624 -1.399) 11.027 2.728 ( 9.732 4.851 1.590) 10.990 2.831 ( 4.507 1.750 -2.958) 5.668 2.963 ( 7.928 4.265 4.007) 9.854 3.121 ( 3.706 2.314 7.848) 8.982 3.269 ( 5.950 -0.529 2.302) 6.401 3.355 ( 5.681 1.877 5.381) 8.047 3.633 ( -10.578 8.439 2.249) 13.717 3.676 ( -8.489 -2.677 -0.297) 8.906 3.755 ( -13.090 -4.017 4.086) 14.289 3.855 ( -4.194 -5.345 0.326) 6.802 3.971 ( 2.925 6.943 1.761) 7.737 3.978 ( 2.281 -8.876 -2.666) 9.544 4.098 ( 2.979 -5.070 -2.167) 6.267 4.270 ( 7.216 1.447 -5.543) 9.213 4.406 ( 7.462 3.098 -8.552) 11.765 4.427 ( -0.084 -4.657 5.500) 7.207 4.526 ( 3.040 -4.489 -6.138) 8.189 4.726 ( 7.630 7.256 1.760) 10.676 4.784 ( 4.858 -2.468 2.997) 6.219 4.885 ( -3.285 1.544 10.037) 10.673 4.898 ( 16.025 6.014 -4.806) 17.778 5.020 ( 1.113 -2.617 2.959) 4.104 5.148 ( 4.079 -4.841 -0.753) 6.375 5.213 ( 8.113 -0.251 7.887) 11.318 5.355 ( 3.872 -8.557 3.032) 9.869 5.378 ( 2.952 -3.284 -5.180) 6.807 5.392 ( 8.265 -0.222 9.045) 12.254 5.550 ( -0.128 -4.323 -1.334) 4.525 5.680 ( 3.369 2.627 -3.626) 5.604 5.783 ( 5.213 10.749 -1.348) 12.022 5.844 ( 2.137 5.256 0.312) 5.682 5.906 ( 3.221 1.604 -4.994) 6.156 5.953 ( 1.767 0.425 -3.212) 3.690 6.154 ( 4.483 2.474 -7.729) 9.271 6.168 ( -9.339 3.902 -6.045) 11.790 6.332 ( 2.584 10.347 -2.773) 11.019 6.377 ( 0.968 -1.718 -0.487) 2.031 6.409 ( -6.179 -0.151 2.591) 6.702 6.560 ( -1.924 -1.669 3.249) 4.129 6.596 ( -0.683 4.012 4.115) 5.787 6.711 ( 5.246 -2.469 3.134) 6.590 6.819 ( -1.408 -0.882 0.266) 1.682 6.882 ( -11.421 3.969 -6.170) 13.574 6.954 ( -2.947 7.471 -0.665) 8.059 6.993 ( -4.724 -1.806 -5.083) 7.170 7.119 ( 5.526 3.157 7.603) 9.915 7.163 ( 0.646 -2.213 1.348) 2.671 7.216 ( 1.458 -2.001 6.755) 7.195 7.306 ( -3.191 1.610 2.781) 4.529 7.438 ( -1.912 -5.196 1.864) 5.841 7.492 ( -0.406 2.365 -4.972) 5.521 7.628 ( -1.086 -3.894 -3.891) 5.611 7.674 ( -4.020 4.698 -2.052) 6.515 7.718 ( -1.956 -3.288 -4.339) 5.785 7.763 ( -9.193 -2.958 4.388) 10.607 7.844 ( -1.165 -7.036 0.179) 7.134 8.012 ( -3.219 -0.095 1.659) 3.622 8.135 ( -2.316 -2.878 2.397) 4.404 8.287 ( -0.492 6.214 -3.936) 7.373 8.390 ( -1.390 -0.762 -0.726) 1.743 8.433 ( -1.881 -3.462 -0.946) 4.052 8.460 ( -0.982 -1.220 2.475) 2.929 8.847 ( 3.071 -0.061 4.110) 5.131 8.920 ( 1.624 -2.660 5.634) 6.438 9.067 ( -2.039 2.561 0.208) 3.280 9.134 ( -5.606 0.323 -3.267) 6.497 9.374 ( 5.161 -8.133 0.642) 9.654 9.431 ( -0.136 -2.028 -2.902) 3.543 9.548 ( -3.873 -1.563 0.425) 4.198 9.660 ( -10.982 -7.315 -0.971) 13.231 9.847 ( -1.309 0.558 2.236) 2.650 9.881 ( 4.531 1.165 3.293) 5.721 10.031 ( 1.295 0.709 6.505) 6.670 10.132 ( -1.827 -2.644 1.527) 3.558 10.332 ( -5.496 7.716 0.536) 9.489 10.550 ( -8.660 1.236 -1.610) 8.894 10.651 ( 3.786 -1.261 0.531) 4.026 10.759 ( 8.159 -4.985 -0.636) 9.583 10.869 ( 4.279 2.675 -3.323) 6.042 10.980 ( 5.156 -1.551 -2.422) 5.904 11.601 ( 3.234 4.967 0.104) 5.928 11.738 ( 1.992 0.097 3.800) 4.291 11.875 ( -2.800 2.069 -3.058) 4.634 12.127 ( -1.418 -8.580 -2.270) 8.988 12.752 ( -2.680 -0.767 1.824) 3.331 12.823 ( -3.725 -5.041 0.460) 6.285 12.956 ( -4.916 3.085 -3.110) 6.585 13.039 ( -6.914 -1.345 -4.969) 8.620 13.114 ( -0.637 2.458 -1.698) 3.055 13.293 ( 3.697 -3.842 -0.465) 5.352 13.524 ( 0.858 1.889 1.586) 2.611 13.580 ( -2.766 -0.863 0.230) 2.906 13.778 ( -1.603 1.660 -0.057) 2.308 13.851 ( -0.537 -1.212 1.076) 1.708 14.269 ( -7.970 2.671 -2.090) 8.661 14.360 ( -5.194 -2.470 -1.258) 5.888 14.779 ( -1.404 5.593 -0.150) 5.768 14.961 ( 0.186 -3.226 1.734) 3.667 15.209 ( 6.804 3.329 1.873) 7.803 15.314 ( -1.832 2.939 0.469) 3.495 15.350 ( 0.969 -2.293 -4.546) 5.183 15.511 ( 2.735 -2.994 -2.096) 4.565 15.684 ( -1.118 4.206 2.082) 4.824 15.750 ( 1.160 2.604 1.942) 3.449 15.948 ( 4.627 -3.189 -1.418) 5.796 16.003 ( 6.209 -6.251 1.202) 8.892 16.204 ( 3.865 1.988 -0.760) 4.412 16.251 ( 5.237 1.446 -2.188) 5.857 19.174 ( 0.171 1.148 1.052) 1.566 19.254 ( -1.984 -3.149 -0.248) 3.730 19.606 ( 1.346 3.438 0.342) 3.708 19.722 ( -0.304 -2.090 1.019) 2.345 24.910 ( 0.149 0.163 -2.924) 2.932 24.921 ( 1.391 -0.230 -2.130) 2.554 24.980 ( 2.093 1.432 -2.036) 3.252 25.089 ( 1.471 -4.156 -3.678) 5.741 26.307 ( 0.932 0.831 0.282) 1.280 26.326 ( 0.113 -0.072 0.861) 0.871 26.634 ( 0.647 1.513 4.203) 4.514 26.683 ( 1.725 -0.781 1.138) 2.209 27.579 ( 0.475 2.994 -0.770) 3.128 27.667 ( 1.172 -1.134 0.701) 1.775 27.777 ( -2.101 4.154 0.892) 4.740 27.910 ( -2.652 -2.165 -0.223) 3.431 27.941 ( -1.858 1.823 1.942) 3.248 27.981 ( -1.699 2.298 -0.239) 2.868 28.024 ( 2.090 1.313 -0.786) 2.591 28.199 ( -1.201 -4.265 1.499) 4.677 28.378 ( 1.717 4.810 -0.830) 5.175 28.410 ( -1.948 2.689 -2.432) 4.116 28.550 ( 5.054 -2.934 -4.390) 7.309 28.681 ( -3.640 -7.994 3.561) 9.478 28.877 ( -0.413 4.895 -1.212) 5.060 28.927 ( 0.275 -1.193 1.378) 1.843 29.060 ( -2.158 -2.571 -3.696) 4.993 29.184 ( 0.947 -4.581 -2.009) 5.091 29.691 ( 1.046 7.353 0.585) 7.450 29.893 ( -2.639 -3.454 -5.915) 7.340 30.372 ( -2.297 2.170 7.956) 8.561 30.458 ( 0.402 -1.577 6.981) 7.168 ======================= Grid point 115 (62/72) ======================= q-point: ( 0.43 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 10.179 0.195 -3.550) 10.782 2.170 ( -2.218 -4.781 -1.571) 5.500 2.626 ( 6.428 6.845 1.613) 9.527 2.667 ( 3.401 13.004 -9.191) 16.284 2.901 ( 8.532 0.119 4.707) 9.745 3.042 ( 5.667 -4.353 2.342) 7.520 3.165 ( -6.479 8.233 2.148) 10.695 3.209 ( 7.781 -2.491 -4.037) 9.113 3.239 ( -9.055 2.110 3.180) 9.826 3.437 ( -7.677 1.712 5.194) 9.426 3.458 ( 5.257 -5.636 5.021) 9.198 3.620 ( 0.342 -1.481 3.230) 3.569 3.650 ( -5.258 1.491 8.109) 9.778 3.783 ( -0.729 -3.999 -2.509) 4.777 3.982 ( -3.880 -7.428 -3.307) 9.009 4.021 ( 3.249 -8.054 -4.186) 9.641 4.092 ( 3.206 1.584 -0.855) 3.677 4.300 ( 5.484 -9.777 -9.614) 14.768 4.416 ( -2.319 6.220 4.284) 7.901 4.428 ( 2.611 6.506 -3.555) 7.860 4.641 ( 8.483 -1.012 -0.277) 8.548 4.893 ( 4.962 3.275 -1.854) 6.228 4.931 ( -1.440 3.841 14.389) 14.963 4.998 ( 5.521 1.813 -1.770) 6.074 5.078 ( 3.390 -1.097 6.675) 7.566 5.096 ( 3.851 0.201 1.306) 4.071 5.194 ( 3.668 -1.543 -6.071) 7.259 5.306 ( 3.242 -4.897 -1.284) 6.012 5.350 ( -4.902 -0.293 2.668) 5.589 5.418 ( -0.737 -3.294 -4.559) 5.673 5.499 ( -3.303 -3.168 -0.085) 4.578 5.531 ( 0.106 -4.464 3.562) 5.712 5.651 ( -4.351 4.704 -4.387) 7.765 5.742 ( -2.925 2.724 -2.456) 4.691 5.825 ( 3.001 1.657 -7.113) 7.896 5.881 ( -2.884 -1.824 -4.458) 5.614 5.960 ( 0.556 3.117 0.478) 3.202 6.043 ( 4.414 4.210 -7.892) 9.974 6.189 ( 1.813 8.657 2.510) 9.194 6.351 ( -0.463 1.758 -0.329) 1.848 6.374 ( 0.971 5.328 0.288) 5.424 6.427 ( -7.708 3.922 0.713) 8.678 6.500 ( 10.544 6.486 -2.609) 12.651 6.609 ( -2.672 4.461 2.985) 5.996 6.687 ( -3.544 1.899 1.083) 4.164 6.742 ( -2.400 -2.886 -0.939) 3.869 6.845 ( -0.842 -0.488 6.261) 6.336 6.890 ( 2.605 -1.458 -1.924) 3.552 7.002 ( 4.136 0.255 0.480) 4.172 7.154 ( -0.925 -6.989 -0.812) 7.096 7.197 ( -5.488 5.773 6.319) 10.168 7.307 ( 0.821 4.223 5.487) 6.972 7.321 ( 2.735 1.094 -3.848) 4.846 7.432 ( -0.794 -3.013 0.526) 3.160 7.459 ( 2.835 0.394 -3.853) 4.800 7.563 ( -2.834 2.647 -1.970) 4.349 7.621 ( 1.070 0.931 -2.354) 2.748 7.669 ( 1.893 -0.999 -2.100) 2.998 7.767 ( -1.654 -1.877 6.184) 6.671 7.813 ( -1.854 -6.976 0.177) 7.220 8.054 ( 2.727 1.173 7.221) 7.807 8.154 ( -0.245 -1.789 5.659) 5.941 8.254 ( 2.889 5.338 -4.529) 7.573 8.348 ( -1.175 -1.966 0.237) 2.302 8.423 ( 1.113 -2.365 0.817) 2.739 8.459 ( -1.510 0.165 1.224) 1.951 8.799 ( -6.290 4.558 -3.952) 8.715 8.932 ( -3.949 -2.286 -2.328) 5.122 9.019 ( -4.590 0.852 2.616) 5.351 9.089 ( 0.205 -0.803 0.321) 0.889 9.385 ( 1.966 0.532 -1.161) 2.344 9.480 ( -4.256 -4.279 3.014) 6.746 9.535 ( 2.623 -12.276 0.762) 12.576 9.545 ( 4.438 -5.152 1.855) 7.049 9.808 ( -6.879 -3.673 -3.250) 8.448 9.937 ( -5.824 0.523 -2.865) 6.512 9.951 ( 1.967 -1.369 1.885) 3.049 10.184 ( 1.545 -4.291 3.509) 5.754 10.246 ( -4.129 4.244 1.298) 6.062 10.332 ( -8.262 1.770 -3.016) 8.972 10.718 ( 1.743 0.541 0.754) 1.975 10.789 ( 1.051 -1.831 -1.959) 2.880 10.911 ( 3.224 -1.444 -8.361) 9.077 10.956 ( -3.186 -0.612 -4.821) 5.811 11.657 ( 1.107 6.122 0.705) 6.261 11.733 ( -2.199 6.164 -2.403) 6.972 11.906 ( 3.610 -5.650 5.160) 8.460 12.061 ( -0.053 -9.540 -2.938) 9.983 12.711 ( -0.037 -0.235 0.381) 0.449 12.747 ( -0.050 -2.569 -0.108) 2.572 12.953 ( 0.528 3.304 1.608) 3.713 13.045 ( 1.114 -3.015 2.983) 4.385 13.206 ( 4.712 -1.007 1.476) 5.040 13.306 ( 0.169 -3.051 -3.403) 4.573 13.645 ( 6.615 2.213 5.798) 9.071 13.663 ( 8.122 1.615 5.439) 9.907 13.740 ( -0.419 2.290 1.992) 3.064 13.803 ( -4.009 -0.343 2.411) 4.690 14.149 ( -4.827 2.798 -2.185) 5.992 14.240 ( -6.829 -2.203 -4.633) 8.541 14.812 ( 4.375 4.300 3.463) 7.044 14.975 ( -0.574 -2.953 2.699) 4.042 15.235 ( -2.554 1.463 -3.669) 4.704 15.269 ( -2.620 -1.335 -3.100) 4.272 15.293 ( 0.715 2.210 -1.405) 2.715 15.428 ( -4.406 -2.824 -9.339) 10.705 15.721 ( 1.382 6.078 3.221) 7.016 15.778 ( -0.301 2.956 1.230) 3.215 16.007 ( 2.266 -3.315 0.605) 4.060 16.062 ( 1.409 -6.319 -0.948) 6.543 16.272 ( 2.567 2.842 1.485) 4.108 16.343 ( 3.898 -0.189 -0.983) 4.024 19.226 ( 2.435 0.095 3.475) 4.245 19.282 ( 2.456 -2.939 2.819) 4.756 19.568 ( -2.326 3.076 -2.974) 4.870 19.656 ( -4.602 -1.106 -3.499) 5.886 24.891 ( 0.369 1.054 -1.832) 2.145 24.917 ( 0.557 -0.109 -2.627) 2.687 24.991 ( 1.262 0.222 -1.272) 1.805 25.054 ( -0.779 -2.669 -3.672) 4.606 26.330 ( 0.175 0.381 1.025) 1.108 26.337 ( 0.589 0.146 0.429) 0.743 26.688 ( 0.357 0.890 3.818) 3.937 26.722 ( 1.192 -0.586 1.017) 1.673 27.619 ( 2.772 3.539 1.529) 4.748 27.697 ( -0.657 1.389 0.239) 1.555 27.786 ( 2.032 1.018 3.794) 4.422 27.863 ( -1.982 -1.142 1.137) 2.554 27.898 ( -2.485 1.166 -0.968) 2.910 27.954 ( -1.802 -0.578 -0.174) 1.901 28.078 ( 3.589 2.953 0.279) 4.656 28.191 ( -0.930 -2.048 -1.009) 2.466 28.327 ( -4.558 4.012 2.313) 6.498 28.410 ( 2.966 3.109 -4.057) 5.909 28.572 ( -2.441 -0.743 -1.260) 2.846 28.602 ( -0.026 -2.763 -4.217) 5.042 28.865 ( -1.935 2.518 2.736) 4.192 28.949 ( -0.274 -2.680 2.546) 3.707 28.994 ( 1.614 -6.351 -5.576) 8.604 29.135 ( -1.943 -7.658 -4.938) 9.316 29.806 ( 5.384 6.650 4.986) 9.903 29.892 ( 4.010 1.500 -0.089) 4.283 30.367 ( -3.849 1.169 4.537) 6.064 30.450 ( -3.658 -2.432 0.594) 4.433 ======================= Grid point 116 (63/72) ======================= q-point: (-0.43 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -7.190 3.508 -1.934) 8.231 2.223 ( 8.921 -5.433 -3.984) 11.179 2.517 ( -19.790 13.959 -1.705) 24.278 2.699 ( -3.263 10.102 -1.949) 10.794 2.902 ( -12.929 0.691 6.066) 14.298 2.939 ( -11.352 -5.166 10.822) 16.513 3.146 ( -1.944 -2.511 -2.662) 4.143 3.171 ( 11.370 1.973 0.218) 11.542 3.309 ( -2.640 -3.820 -0.226) 4.649 3.473 ( -7.915 -8.232 6.695) 13.238 3.543 ( 9.572 7.282 -1.008) 12.069 3.612 ( -1.181 -1.342 2.845) 3.360 3.679 ( 2.157 -4.653 0.533) 5.156 3.857 ( 13.259 -1.461 -6.404) 14.797 3.946 ( -0.668 -7.012 0.367) 7.054 4.032 ( 3.321 -0.830 -5.834) 6.764 4.125 ( -0.829 -3.718 0.113) 3.811 4.211 ( -5.704 2.453 -6.189) 8.767 4.380 ( 1.669 -0.697 -2.065) 2.745 4.479 ( 3.172 4.824 -1.117) 5.881 4.738 ( -11.515 3.403 -4.946) 12.986 4.779 ( -2.416 5.120 4.243) 7.075 4.943 ( -13.177 2.625 10.277) 16.915 4.984 ( -6.260 0.659 6.032) 8.718 5.054 ( 0.053 1.663 2.022) 2.619 5.186 ( -3.615 -2.923 1.680) 4.943 5.191 ( -6.634 -1.433 1.448) 6.940 5.295 ( 8.089 -0.222 1.891) 8.310 5.319 ( 0.156 -2.403 -12.176) 12.412 5.439 ( 6.112 0.757 -1.442) 6.325 5.500 ( -1.547 4.495 5.328) 7.141 5.567 ( 3.923 3.960 -2.201) 5.993 5.602 ( 1.141 -6.487 4.176) 7.799 5.656 ( -0.578 -5.861 -0.763) 5.939 5.787 ( -1.738 -0.621 -4.659) 5.011 5.828 ( 2.459 -3.975 -3.244) 5.690 5.942 ( -5.576 2.410 2.748) 6.667 6.050 ( -0.721 2.131 -5.632) 6.065 6.187 ( -8.383 4.652 4.514) 10.597 6.317 ( 2.532 1.231 3.422) 4.431 6.331 ( -2.073 7.834 -0.510) 8.119 6.429 ( 4.263 0.864 0.916) 4.445 6.499 ( -7.896 9.168 -2.855) 12.432 6.641 ( 5.299 6.526 1.021) 8.468 6.723 ( 4.347 0.711 -1.636) 4.699 6.780 ( 4.644 -3.998 -3.997) 7.317 6.877 ( -1.523 1.595 2.302) 3.188 6.940 ( 1.116 -1.356 -0.296) 1.781 7.064 ( 0.190 -3.802 1.767) 4.196 7.077 ( -0.763 -0.945 -6.212) 6.330 7.184 ( -0.457 1.725 6.802) 7.032 7.296 ( 0.413 -3.753 -1.066) 3.923 7.383 ( 2.908 3.185 1.163) 4.467 7.418 ( -1.518 0.894 1.969) 2.642 7.474 ( 1.708 2.062 -3.738) 4.598 7.527 ( 4.261 5.035 -6.909) 9.552 7.639 ( 0.047 0.640 -2.837) 2.909 7.671 ( 0.566 -0.162 -2.604) 2.670 7.809 ( 4.678 -3.719 4.032) 7.209 7.840 ( 1.305 -6.533 2.244) 7.030 8.123 ( -0.607 3.309 2.770) 4.358 8.194 ( -0.531 2.607 -1.853) 3.242 8.304 ( 3.705 -2.757 2.590) 5.295 8.355 ( 1.291 -3.431 -5.231) 6.387 8.421 ( -4.471 3.183 -4.653) 7.195 8.472 ( 1.689 1.373 1.349) 2.561 8.752 ( 0.578 1.254 5.878) 6.038 8.772 ( 0.930 1.479 3.153) 3.604 9.057 ( -0.287 1.845 -0.057) 1.868 9.098 ( 5.387 -0.251 2.275) 5.853 9.399 ( -7.134 -4.347 -1.680) 8.521 9.458 ( 0.023 0.607 -1.137) 1.290 9.571 ( 4.615 -2.011 5.904) 7.759 9.616 ( 1.467 -4.647 -3.006) 5.725 9.738 ( -2.803 -15.185 -4.132) 15.985 9.817 ( 7.713 -10.378 3.119) 13.301 10.083 ( -5.946 5.172 -5.591) 9.663 10.132 ( 7.253 5.519 6.881) 11.420 10.263 ( 0.489 -1.069 3.086) 3.302 10.294 ( 2.505 -1.025 0.173) 2.712 10.715 ( -2.733 1.353 5.428) 6.226 10.774 ( -3.833 -0.742 -1.985) 4.380 10.850 ( -0.881 0.154 -3.367) 3.484 10.869 ( 0.569 -2.451 -1.910) 3.158 11.678 ( -0.768 4.615 -0.185) 4.682 11.692 ( 0.536 5.973 0.641) 6.031 11.955 ( -3.838 -6.464 2.094) 7.804 12.055 ( 2.519 -8.158 -3.623) 9.275 12.729 ( -0.794 -1.198 0.848) 1.669 12.736 ( -0.813 -1.550 -0.770) 1.912 12.999 ( -0.595 1.713 0.475) 1.874 13.062 ( 4.809 -0.705 -0.497) 4.886 13.243 ( -1.105 -0.373 -1.871) 2.204 13.300 ( 3.292 -2.716 -4.078) 5.903 13.664 ( -1.909 3.222 1.531) 4.046 13.696 ( 0.664 2.131 0.700) 2.340 13.900 ( -6.691 0.966 -7.232) 9.900 13.941 ( -0.690 -0.508 -3.470) 3.574 14.077 ( 5.016 0.322 0.367) 5.039 14.090 ( 10.936 -0.485 7.315) 13.166 14.906 ( -6.608 1.914 -1.756) 7.100 14.967 ( 2.725 0.826 3.619) 4.605 15.180 ( -3.523 -4.333 0.412) 5.599 15.236 ( 2.393 -0.053 4.510) 5.106 15.269 ( -0.788 3.270 -0.796) 3.457 15.300 ( 1.322 -1.783 -4.691) 5.190 15.748 ( -2.032 4.755 1.307) 5.333 15.787 ( 1.369 4.320 0.008) 4.532 16.023 ( -2.574 -4.830 0.912) 5.548 16.048 ( -1.188 -4.871 -1.033) 5.119 16.301 ( -2.376 1.399 2.301) 3.591 16.332 ( -2.529 -0.031 -3.232) 4.104 19.290 ( -1.199 -0.171 0.208) 1.229 19.322 ( 1.115 -1.430 -1.424) 2.306 19.543 ( -2.313 1.586 -1.748) 3.305 19.570 ( 4.020 -0.012 3.500) 5.330 24.882 ( -0.542 1.191 0.085) 1.311 24.887 ( -1.025 0.493 -1.731) 2.071 24.989 ( -2.160 -0.968 -0.641) 2.452 25.011 ( 0.302 -1.551 -0.429) 1.637 26.326 ( -1.347 0.925 0.932) 1.881 26.354 ( 0.763 -0.367 -0.456) 0.961 26.714 ( -0.879 0.566 1.834) 2.111 26.742 ( 0.584 -0.401 -0.607) 0.933 27.656 ( -2.539 3.781 -1.422) 4.772 27.684 ( 1.992 2.704 1.188) 3.563 27.846 ( -1.654 0.740 0.337) 1.843 27.861 ( 0.995 -0.073 1.986) 2.223 27.893 ( -2.703 -1.404 -2.156) 3.731 27.904 ( 2.269 -1.919 3.838) 4.854 28.123 ( -2.942 2.382 -3.793) 5.358 28.147 ( 2.785 1.070 0.740) 3.074 28.287 ( -4.324 2.859 5.481) 7.545 28.421 ( -0.498 -0.334 1.471) 1.589 28.493 ( -0.573 2.922 -3.493) 4.590 28.634 ( 6.613 0.485 -3.179) 7.354 28.858 ( -2.999 -2.465 4.213) 5.729 28.943 ( -0.760 -2.009 -0.677) 2.252 29.005 ( -0.001 -8.122 -0.601) 8.144 29.080 ( 3.326 -6.157 -2.914) 7.580 29.881 ( -2.169 5.816 0.541) 6.231 29.913 ( -1.675 4.268 -3.835) 5.978 30.408 ( 4.617 -0.352 4.582) 6.514 30.433 ( 3.726 -1.898 -0.951) 4.288 ======================= Grid point 117 (64/72) ======================= q-point: (-0.29 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -16.012 15.922 -2.970) 22.776 2.107 ( -10.950 13.270 9.055) 19.442 2.350 ( -9.923 3.167 4.871) 11.499 2.525 ( -9.413 4.517 3.437) 10.991 2.762 ( -4.780 -0.781 0.062) 4.843 2.832 ( -14.633 -3.267 6.333) 16.276 2.957 ( -6.617 -12.696 -2.740) 14.576 3.163 ( -10.835 -8.655 3.288) 14.252 3.351 ( -3.752 7.887 -1.732) 8.904 3.572 ( 7.924 2.072 6.191) 10.267 3.615 ( 6.605 2.045 4.507) 8.254 3.627 ( -0.004 1.017 -9.102) 9.158 3.692 ( -1.854 6.387 6.339) 9.187 3.879 ( -4.705 -9.298 2.598) 10.739 3.932 ( -4.414 -0.981 -6.153) 7.636 4.058 ( 3.556 -4.031 -7.061) 8.874 4.100 ( 8.871 3.866 -1.787) 9.840 4.158 ( 0.069 3.519 -1.602) 3.867 4.407 ( 0.552 -5.715 -3.078) 6.514 4.469 ( 0.561 -8.421 -1.457) 8.564 4.552 ( 2.663 11.703 -4.582) 12.847 4.716 ( -5.212 8.250 4.053) 10.567 4.798 ( -14.602 5.257 -1.031) 15.554 4.908 ( -1.912 -0.291 0.541) 2.008 4.986 ( -10.084 3.838 -5.563) 12.139 5.084 ( -4.510 -0.581 4.356) 6.297 5.174 ( -1.996 -2.059 4.287) 5.158 5.199 ( -2.858 -5.012 -5.829) 8.202 5.390 ( 0.113 -1.329 1.600) 2.083 5.443 ( -2.365 -3.212 -0.390) 4.007 5.496 ( -1.533 -2.792 3.083) 4.433 5.545 ( -8.483 0.584 1.098) 8.574 5.614 ( -6.158 -3.741 -7.938) 10.720 5.690 ( -4.304 1.528 4.938) 6.726 5.757 ( 4.706 -0.214 1.873) 5.070 5.858 ( -0.869 -2.375 -0.351) 2.553 5.881 ( -2.729 -4.228 5.550) 7.492 5.999 ( 3.081 0.320 2.873) 4.224 6.169 ( -0.796 2.487 -0.175) 2.617 6.256 ( -7.794 6.926 -0.221) 10.429 6.333 ( 3.653 2.046 2.756) 5.012 6.400 ( 1.596 9.653 1.545) 9.905 6.636 ( 12.962 -1.280 1.120) 13.073 6.685 ( -5.733 -3.387 2.040) 6.964 6.756 ( 3.611 -1.502 -5.292) 6.580 6.792 ( -2.051 3.843 -1.007) 4.471 6.824 ( -0.991 4.414 -0.286) 4.533 6.930 ( 4.136 1.151 -0.293) 4.303 7.040 ( 2.654 -2.689 -5.313) 6.519 7.115 ( 1.028 1.193 1.863) 2.440 7.263 ( 1.412 4.803 5.846) 7.696 7.313 ( 1.350 -1.251 -4.423) 4.791 7.388 ( 1.150 0.813 -4.524) 4.738 7.419 ( 0.289 -2.546 -1.929) 3.207 7.486 ( 0.294 1.134 -4.543) 4.692 7.528 ( 1.856 -0.750 3.886) 4.372 7.633 ( 0.193 -0.648 -2.664) 2.748 7.697 ( 6.801 3.324 0.288) 7.575 7.864 ( -0.228 -5.869 0.532) 5.898 7.907 ( 5.405 -4.781 -5.784) 9.248 8.111 ( 0.901 3.047 -3.911) 5.039 8.175 ( 0.992 5.598 0.597) 5.716 8.276 ( 1.925 1.198 -7.714) 8.040 8.346 ( -1.210 -2.018 1.058) 2.579 8.371 ( 0.222 -5.568 3.145) 6.399 8.493 ( 1.302 -3.264 0.879) 3.622 8.851 ( 3.153 5.616 3.904) 7.532 8.964 ( 4.598 -3.129 6.153) 8.294 9.074 ( 1.036 2.580 -1.580) 3.198 9.136 ( 0.948 0.631 -4.568) 4.708 9.316 ( -1.780 -4.189 4.457) 6.370 9.446 ( -5.618 -5.592 -3.487) 8.659 9.542 ( 4.344 -1.521 0.637) 4.647 9.664 ( 7.393 -9.457 -1.719) 12.126 9.885 ( 0.435 -1.674 2.497) 3.038 9.924 ( -0.875 -0.570 -3.672) 3.818 10.042 ( 10.670 -1.954 6.085) 12.438 10.171 ( -3.432 -4.420 -1.233) 5.730 10.356 ( 6.002 5.155 -1.604) 8.072 10.450 ( 10.382 1.825 7.007) 12.658 10.671 ( -4.489 -0.113 -3.908) 5.953 10.731 ( -2.229 -1.517 2.570) 3.725 10.802 ( -1.756 3.510 1.723) 4.287 10.905 ( -1.798 0.712 5.741) 6.058 11.633 ( -3.333 7.661 -1.829) 8.553 11.759 ( 4.249 4.692 3.026) 7.016 11.866 ( -4.139 -6.373 -2.710) 8.068 12.068 ( 1.999 -8.577 2.058) 9.044 12.730 ( 2.499 -1.011 0.963) 2.863 12.768 ( 5.592 -2.855 3.549) 7.213 12.981 ( 0.793 4.199 -2.637) 5.022 13.084 ( -2.383 -2.808 -7.602) 8.448 13.170 ( -3.010 0.140 -4.660) 5.549 13.286 ( -1.855 -3.509 -1.307) 4.179 13.595 ( -4.283 2.161 -5.631) 7.397 13.639 ( -1.608 0.012 -4.007) 4.318 13.758 ( 0.142 3.270 0.889) 3.392 13.860 ( -0.339 -1.081 0.019) 1.133 14.244 ( 6.509 2.640 0.319) 7.031 14.332 ( 6.290 -2.579 1.707) 7.009 14.791 ( 0.168 5.040 -1.210) 5.186 14.980 ( -1.731 -4.769 0.899) 5.153 15.211 ( 0.977 0.013 4.865) 4.962 15.254 ( -0.783 1.792 -1.051) 2.220 15.297 ( 1.351 1.480 2.622) 3.299 15.402 ( 3.749 -3.579 6.751) 8.511 15.713 ( -1.628 5.429 -0.212) 5.672 15.788 ( -0.992 3.558 -1.898) 4.153 15.937 ( -5.763 -5.438 0.110) 7.924 16.004 ( -3.907 -5.678 0.625) 6.921 16.209 ( -6.108 1.277 -1.979) 6.546 16.228 ( -7.202 0.856 0.726) 7.289 19.226 ( -1.451 1.720 -3.180) 3.896 19.285 ( -1.044 -1.696 -2.946) 3.556 19.575 ( 2.191 3.835 2.894) 5.280 19.704 ( 4.486 -2.393 2.764) 5.787 24.855 ( -1.447 0.782 1.177) 2.023 24.873 ( -1.400 0.299 1.570) 2.125 24.943 ( -2.266 0.902 0.868) 2.589 25.020 ( -0.910 -2.586 2.213) 3.524 26.305 ( -1.724 1.504 0.569) 2.358 26.351 ( -0.090 -0.827 -1.072) 1.357 26.699 ( -1.250 0.808 -0.548) 1.586 26.726 ( -0.374 -0.193 -2.822) 2.853 27.584 ( -2.757 3.872 -1.231) 4.910 27.697 ( -1.552 -1.100 -1.248) 2.275 27.794 ( -0.311 2.269 -1.309) 2.638 27.871 ( 0.318 -0.134 2.375) 2.400 27.920 ( 1.451 1.487 3.024) 3.669 27.971 ( -0.363 -1.238 3.529) 3.757 28.041 ( -0.482 3.448 -3.923) 5.245 28.196 ( 1.688 -3.253 0.995) 3.798 28.281 ( -3.017 2.616 5.860) 7.091 28.416 ( -5.482 -3.440 6.645) 9.276 28.472 ( 4.173 5.957 -6.026) 9.445 28.750 ( 5.612 -1.956 -0.715) 5.985 28.823 ( -4.846 -5.266 2.540) 7.594 28.951 ( 1.524 -2.664 0.998) 3.228 29.005 ( 3.773 -0.482 -1.036) 3.942 29.155 ( 3.517 -4.104 0.481) 5.427 29.766 ( -5.089 4.390 -4.841) 8.283 29.821 ( -3.412 1.208 0.128) 3.622 30.518 ( 6.496 0.382 -4.522) 7.924 30.565 ( 7.392 -1.021 -1.646) 7.641 ======================= Grid point 118 (65/72) ======================= q-point: (-0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 2.196 18.262 23.290) 29.678 2.083 ( -11.786 19.079 19.418) 29.665 2.200 ( -5.727 0.998 7.546) 9.525 2.457 ( -9.031 0.046 12.739) 15.616 2.579 ( -8.608 -3.606 -3.655) 10.023 2.773 ( 2.275 6.085 4.269) 7.774 2.875 ( -0.986 -18.735 -0.897) 18.783 3.108 ( -1.898 -1.519 2.033) 3.169 3.190 ( -3.419 9.606 -1.705) 10.338 3.392 ( -6.569 8.041 -20.309) 22.809 3.509 ( -17.394 20.321 20.797) 33.882 3.705 ( -6.135 -3.930 -10.378) 12.680 3.825 ( 1.349 -0.228 -1.603) 2.107 3.920 ( 1.542 -2.505 3.271) 4.399 3.943 ( 6.782 1.009 -4.252) 8.069 4.006 ( 6.619 -2.592 -1.963) 7.374 4.167 ( 4.744 -3.448 3.877) 7.030 4.212 ( 5.928 -3.025 1.259) 6.774 4.317 ( -6.466 -2.263 -2.495) 7.291 4.539 ( 3.118 7.649 -10.307) 13.209 4.579 ( -8.007 0.200 4.581) 9.227 4.624 ( 0.322 1.861 -5.941) 6.234 4.633 ( 5.037 3.119 -2.117) 6.292 4.784 ( -3.626 -2.203 -4.351) 6.077 4.845 ( -8.623 2.067 2.575) 9.234 5.026 ( -1.856 -0.659 -0.402) 2.010 5.136 ( 2.080 -6.458 1.751) 7.007 5.172 ( -1.368 -1.251 1.444) 2.350 5.246 ( -13.401 0.790 -4.783) 14.251 5.317 ( -5.666 -2.437 -5.778) 8.452 5.377 ( -2.357 -3.559 -11.998) 12.734 5.483 ( 0.629 -6.061 1.404) 6.253 5.573 ( -2.373 1.860 5.739) 6.483 5.653 ( -5.095 2.260 11.748) 13.003 5.755 ( -1.842 3.220 -6.414) 7.409 5.868 ( -2.179 -4.110 8.433) 9.631 5.938 ( 5.466 -4.543 3.124) 7.763 5.973 ( -5.514 3.394 3.016) 7.143 6.195 ( 0.754 -3.288 5.371) 6.342 6.259 ( 0.200 6.285 3.549) 7.221 6.434 ( -0.365 2.604 -1.224) 2.901 6.478 ( 0.017 2.337 -4.249) 4.850 6.550 ( 2.800 -2.615 1.928) 4.289 6.689 ( -6.572 2.341 2.921) 7.563 6.708 ( -0.974 -1.783 -4.071) 4.550 6.787 ( 4.187 7.898 -10.888) 14.088 6.934 ( 2.939 -1.519 4.901) 5.913 6.990 ( -2.395 2.715 -0.312) 3.634 7.075 ( 5.626 -2.340 1.169) 6.204 7.134 ( -2.181 3.328 -6.944) 8.003 7.182 ( 2.625 -2.385 -3.847) 5.232 7.341 ( -1.130 -3.698 -3.921) 5.507 7.394 ( 2.490 1.764 -1.131) 3.254 7.456 ( 7.225 -0.538 -0.487) 7.262 7.467 ( 0.308 -1.312 3.148) 3.424 7.573 ( -0.808 -4.487 7.384) 8.678 7.702 ( 7.119 -0.215 2.419) 7.522 7.820 ( 4.049 5.092 0.203) 6.509 7.878 ( 2.120 -3.263 -0.670) 3.948 7.959 ( 6.083 -4.787 -2.403) 8.105 8.140 ( 5.926 -3.033 -3.761) 7.646 8.196 ( 1.606 1.852 -0.960) 2.632 8.279 ( 1.313 1.775 -1.946) 2.943 8.324 ( -4.068 -2.994 3.742) 6.286 8.419 ( 1.621 -2.713 2.586) 4.083 8.523 ( 1.481 -3.117 -0.899) 3.566 8.824 ( -4.160 0.840 -3.635) 5.588 8.950 ( -1.666 -4.902 -2.722) 5.849 9.104 ( 3.846 6.628 0.500) 7.679 9.220 ( 1.556 -2.573 -1.903) 3.558 9.319 ( 0.770 -2.777 1.548) 3.271 9.373 ( -1.424 -3.553 2.175) 4.403 9.638 ( 5.327 1.868 1.908) 5.959 9.737 ( -4.290 -2.472 -0.719) 5.003 9.815 ( -3.226 -0.117 -2.514) 4.092 9.883 ( 0.518 -6.277 -2.106) 6.641 10.086 ( -1.065 3.423 -4.814) 6.002 10.213 ( 4.696 -3.377 -1.069) 5.882 10.441 ( 3.283 9.802 -2.561) 10.650 10.566 ( -2.860 1.665 -1.567) 3.662 10.619 ( -7.736 -1.225 -5.057) 9.323 10.684 ( 4.307 -1.130 3.032) 5.388 10.774 ( -2.827 3.126 2.601) 4.953 10.858 ( -6.211 0.508 -0.275) 6.238 11.552 ( -1.754 5.689 0.136) 5.954 11.784 ( 1.649 -5.993 -2.681) 6.769 11.865 ( 1.321 4.303 3.162) 5.501 12.106 ( -3.316 -7.209 -1.071) 8.007 12.820 ( -0.660 -1.454 -4.326) 4.611 12.846 ( -3.524 -2.429 -4.097) 5.925 13.060 ( 3.537 2.828 -1.556) 4.788 13.145 ( 8.286 -0.785 3.946) 9.211 13.186 ( 15.948 0.378 14.267) 21.402 13.235 ( 9.068 -1.411 7.596) 11.913 13.547 ( 0.074 3.091 -2.602) 4.041 13.647 ( 2.766 -1.812 -0.753) 3.391 13.781 ( 0.961 0.129 3.063) 3.213 13.844 ( 1.785 -2.735 3.841) 5.042 14.380 ( 6.397 1.896 2.781) 7.228 14.430 ( 4.199 -1.116 2.195) 4.867 14.838 ( 3.465 3.893 -1.270) 5.365 14.937 ( -4.416 -2.106 -0.420) 4.911 15.120 ( -9.149 1.477 -6.952) 11.585 15.219 ( -7.639 -2.534 0.036) 8.049 15.369 ( 3.315 3.654 -0.044) 4.934 15.459 ( -1.031 -2.089 1.173) 2.608 15.698 ( -1.453 4.623 0.842) 4.918 15.721 ( -2.354 -0.800 -0.161) 2.492 15.842 ( -5.010 -3.743 -0.167) 6.256 15.905 ( -5.602 -4.698 -1.883) 7.550 16.122 ( -3.362 1.941 3.405) 5.164 16.142 ( -1.531 0.458 2.245) 2.756 19.199 ( 1.778 3.117 -1.157) 3.770 19.298 ( 3.592 -2.249 1.384) 4.458 19.578 ( -3.347 4.390 -2.296) 5.979 19.733 ( -1.758 -3.067 -2.895) 4.569 24.871 ( -0.598 -0.109 2.432) 2.506 24.880 ( 1.161 -0.555 4.043) 4.243 24.926 ( -1.187 1.669 1.546) 2.566 25.018 ( -1.901 -2.983 2.417) 4.284 26.282 ( -1.313 1.928 0.955) 2.521 26.335 ( -0.341 -0.666 -1.021) 1.266 26.661 ( -1.801 0.599 -1.520) 2.432 26.677 ( -0.310 0.209 -4.491) 4.506 27.572 ( 1.612 2.860 1.979) 3.833 27.661 ( -0.043 -1.496 -0.236) 1.515 27.809 ( 0.992 2.824 0.158) 2.998 27.904 ( -1.200 -1.651 1.621) 2.607 27.941 ( -2.767 3.988 2.302) 5.372 27.965 ( 0.384 1.922 2.521) 3.193 28.058 ( 3.949 1.712 -1.599) 4.592 28.220 ( -2.002 -4.136 1.787) 4.930 28.301 ( 1.269 0.608 2.612) 2.967 28.368 ( -5.686 -1.089 5.292) 7.843 28.513 ( 3.911 1.834 -1.394) 4.539 28.730 ( -4.753 -6.902 -1.429) 8.501 28.810 ( -1.173 1.015 4.585) 4.840 28.965 ( 2.440 -4.944 -4.084) 6.861 29.127 ( 4.510 1.582 1.321) 4.959 29.171 ( 0.171 -1.335 -2.695) 3.012 29.707 ( 3.419 5.435 1.267) 6.545 29.856 ( 2.771 -2.339 8.213) 8.978 30.519 ( 1.298 0.536 -10.627) 10.719 30.547 ( -2.591 0.199 -12.406) 12.676 ======================= Grid point 119 (66/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( 0.713 -3.696 12.625) 13.174 2.279 ( 0.713 3.696 12.625) 13.174 2.464 ( -2.823 -3.265 9.903) 10.803 2.464 ( -2.823 3.265 9.903) 10.803 2.561 ( 8.671 -16.492 8.311) 20.402 2.561 ( 8.671 16.492 8.311) 20.402 3.013 ( 0.880 -7.335 -2.316) 7.742 3.013 ( 0.880 7.335 -2.316) 7.742 3.237 ( -2.570 -11.056 -8.507) 14.185 3.237 ( -2.570 11.056 -8.507) 14.185 3.485 ( -0.584 -5.853 -13.622) 14.837 3.485 ( -0.584 5.853 -13.622) 14.837 3.843 ( 1.521 -4.305 2.270) 5.099 3.843 ( 1.521 4.305 2.270) 5.099 4.135 ( -0.250 -0.516 2.486) 2.551 4.135 ( -0.250 0.516 2.486) 2.551 4.288 ( -1.093 -8.207 6.075) 10.269 4.288 ( -1.093 8.207 6.075) 10.269 4.398 ( 0.428 -7.327 -0.503) 7.357 4.398 ( 0.428 7.327 -0.503) 7.357 4.471 ( -4.784 -7.833 2.956) 9.643 4.471 ( -4.784 7.833 2.956) 9.643 4.690 ( -0.578 -1.263 -2.178) 2.583 4.690 ( -0.578 1.263 -2.178) 2.583 4.845 ( -4.140 -10.751 4.485) 12.363 4.845 ( -4.140 10.751 4.485) 12.363 5.091 ( 1.460 -2.216 -9.726) 10.081 5.091 ( 1.460 2.216 -9.726) 10.081 5.238 ( 3.577 -3.076 -4.589) 6.581 5.238 ( 3.577 3.076 -4.589) 6.581 5.328 ( 2.596 -3.699 -0.626) 4.563 5.328 ( 2.596 3.699 -0.626) 4.563 5.585 ( 0.480 -7.383 0.180) 7.401 5.585 ( 0.480 7.383 0.180) 7.401 5.892 ( -1.405 -3.690 6.154) 7.311 5.892 ( -1.405 3.690 6.154) 7.311 6.040 ( 3.653 -10.910 6.896) 13.414 6.040 ( 3.653 10.910 6.896) 13.414 6.167 ( -1.600 -4.618 -4.082) 6.368 6.167 ( -1.600 4.618 -4.082) 6.368 6.516 ( 0.996 -2.993 1.205) 3.376 6.516 ( 0.996 2.993 1.205) 3.376 6.547 ( -0.001 -5.473 1.194) 5.601 6.547 ( -0.001 5.473 1.194) 5.601 6.765 ( -5.562 -8.303 -7.995) 12.798 6.765 ( -5.562 8.303 -7.995) 12.798 6.873 ( 2.078 -1.768 -3.791) 4.671 6.873 ( 2.078 1.768 -3.791) 4.671 7.096 ( -0.744 -3.503 0.358) 3.599 7.096 ( -0.744 3.503 0.358) 3.599 7.247 ( -0.728 -3.665 2.481) 4.485 7.247 ( -0.728 3.665 2.481) 4.485 7.420 ( 1.942 -2.461 -4.422) 5.420 7.420 ( 1.942 2.461 -4.422) 5.420 7.629 ( 1.034 -2.451 7.446) 7.907 7.629 ( 1.034 2.451 7.446) 7.907 7.843 ( 1.074 -1.746 -0.381) 2.085 7.843 ( 1.074 1.746 -0.381) 2.085 7.937 ( -1.334 -3.731 -0.200) 3.968 7.937 ( -1.334 3.731 -0.200) 3.968 8.162 ( 0.135 -0.835 -1.147) 1.425 8.162 ( 0.135 0.835 -1.147) 1.425 8.263 ( 2.083 -0.572 -1.267) 2.504 8.263 ( 2.083 0.572 -1.267) 2.504 8.510 ( 0.260 -1.275 1.645) 2.098 8.510 ( 0.260 1.275 1.645) 2.098 8.838 ( 0.971 -2.327 0.167) 2.527 8.838 ( 0.971 2.327 0.167) 2.527 9.101 ( -4.822 -0.951 -4.768) 6.848 9.101 ( -4.822 0.951 -4.768) 6.848 9.330 ( 1.136 -1.809 0.279) 2.155 9.330 ( 1.136 1.809 0.279) 2.155 9.715 ( -2.421 -2.720 3.216) 4.858 9.715 ( -2.421 2.720 3.216) 4.858 9.858 ( 5.160 -5.110 -1.695) 7.457 9.858 ( 5.160 5.110 -1.695) 7.457 10.198 ( 4.231 -5.061 2.527) 7.064 10.198 ( 4.231 5.061 2.527) 7.064 10.334 ( -8.993 -1.594 -8.004) 12.144 10.334 ( -8.993 1.594 -8.004) 12.144 10.633 ( -4.047 -1.382 -0.544) 4.311 10.633 ( -4.047 1.382 -0.544) 4.311 10.821 ( 2.306 -0.909 1.881) 3.111 10.821 ( 2.306 0.909 1.881) 3.111 11.724 ( 2.096 -5.950 2.838) 6.917 11.724 ( 2.096 5.950 2.838) 6.917 11.914 ( -1.741 -2.870 -1.524) 3.687 11.914 ( -1.741 2.870 -1.524) 3.687 12.765 ( -0.673 -0.591 0.073) 0.899 12.765 ( -0.673 0.591 0.073) 0.899 13.087 ( -1.043 -1.429 -1.921) 2.611 13.087 ( -1.043 1.429 -1.921) 2.611 13.518 ( 2.201 -3.060 1.360) 4.008 13.518 ( 2.201 3.060 1.360) 4.008 13.594 ( -0.115 -2.493 0.487) 2.543 13.594 ( -0.115 2.493 0.487) 2.543 14.154 ( 23.287 -0.183 15.844) 28.166 14.154 ( 23.287 0.183 15.844) 28.166 14.409 ( -11.984 -1.131 -6.146) 13.516 14.409 ( -11.984 1.131 -6.146) 13.516 14.819 ( -6.678 -1.482 1.205) 6.945 14.819 ( -6.678 1.482 1.205) 6.945 14.922 ( -1.361 -4.152 -7.095) 8.332 14.922 ( -1.361 4.152 -7.095) 8.332 15.456 ( 0.972 -0.557 -0.362) 1.178 15.456 ( 0.972 0.557 -0.362) 1.178 15.690 ( -2.374 -2.099 3.488) 4.712 15.690 ( -2.374 2.099 3.488) 4.712 15.788 ( 1.627 -2.076 -3.208) 4.153 15.788 ( 1.627 2.076 -3.208) 4.153 16.166 ( 1.234 -0.989 1.826) 2.416 16.166 ( 1.234 0.989 1.826) 2.416 19.353 ( 4.404 -2.869 2.524) 5.831 19.353 ( 4.404 2.869 2.524) 5.831 19.526 ( -5.291 -3.615 -4.380) 7.762 19.526 ( -5.291 3.615 -4.380) 7.762 24.919 ( 1.203 -1.681 2.782) 3.466 24.919 ( 1.203 1.681 2.782) 3.466 24.956 ( 0.073 -2.300 -0.341) 2.326 24.956 ( 0.073 2.300 -0.341) 2.326 26.311 ( -0.322 -1.058 0.733) 1.327 26.311 ( -0.322 1.058 0.733) 1.327 26.627 ( -0.458 -0.941 -2.204) 2.440 26.627 ( -0.458 0.941 -2.204) 2.440 27.668 ( 1.537 -0.486 0.810) 1.804 27.668 ( 1.537 0.486 0.810) 1.804 27.833 ( -0.896 -0.705 -0.342) 1.190 27.833 ( -0.896 0.705 -0.342) 1.190 28.029 ( -0.220 -1.205 3.401) 3.615 28.029 ( -0.220 1.205 3.401) 3.615 28.130 ( -1.493 -0.451 0.519) 1.644 28.130 ( -1.493 0.451 0.519) 1.644 28.339 ( 0.820 -3.098 2.989) 4.382 28.339 ( 0.820 3.098 2.989) 4.382 28.558 ( -1.301 -1.984 -1.125) 2.626 28.558 ( -1.301 1.984 -1.125) 2.626 28.904 ( 1.912 -3.965 0.073) 4.403 28.904 ( 1.912 3.965 0.073) 4.403 29.125 ( -1.349 -2.082 -1.995) 3.184 29.125 ( -1.349 2.082 -1.995) 3.184 30.002 ( 7.977 -2.877 10.827) 13.753 30.002 ( 7.977 2.877 10.827) 13.753 30.317 ( -7.439 -3.051 -14.755) 16.803 30.317 ( -7.439 3.051 -14.755) 16.803 ======================= Grid point 121 (67/72) ======================= q-point: ( 0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -4.493 -1.904 -0.140) 4.881 2.321 ( -4.493 1.904 -0.140) 4.881 2.546 ( 4.990 -2.351 -3.904) 6.757 2.546 ( 4.990 2.351 -3.904) 6.757 2.655 ( 3.164 -7.205 -5.967) 9.876 2.655 ( 3.164 7.205 -5.967) 9.876 2.995 ( 3.996 -7.926 6.249) 10.855 2.995 ( 3.996 7.926 6.249) 10.855 3.297 ( 5.294 -6.159 -3.404) 8.806 3.297 ( 5.294 6.159 -3.404) 8.806 3.511 ( 9.548 -15.289 0.218) 18.027 3.511 ( 9.548 15.289 0.218) 18.027 3.846 ( -1.479 -5.025 1.244) 5.384 3.846 ( -1.479 5.025 1.244) 5.384 4.106 ( -0.647 -6.029 0.098) 6.065 4.106 ( -0.647 6.029 0.098) 6.065 4.162 ( -12.605 -3.215 0.653) 13.025 4.162 ( -12.605 3.215 0.653) 13.025 4.426 ( 2.211 -4.485 -2.196) 5.461 4.426 ( 2.211 4.485 -2.196) 5.461 4.516 ( -0.371 -6.002 6.209) 8.643 4.516 ( -0.371 6.002 6.209) 8.643 4.719 ( 4.980 -1.934 -0.582) 5.374 4.719 ( 4.980 1.934 -0.582) 5.374 4.845 ( -0.368 -4.022 10.131) 10.906 4.845 ( -0.368 4.022 10.131) 10.906 5.108 ( 4.019 -4.894 -3.061) 7.034 5.108 ( 4.019 4.894 -3.061) 7.034 5.266 ( 4.498 -1.511 -3.258) 5.756 5.266 ( 4.498 1.511 -3.258) 5.756 5.339 ( 4.740 -8.336 -5.861) 11.239 5.339 ( 4.740 8.336 -5.861) 11.239 5.701 ( 9.545 -3.047 -2.277) 10.275 5.701 ( 9.545 3.047 -2.277) 10.275 5.936 ( 1.751 -11.021 7.135) 13.245 5.936 ( 1.751 11.021 7.135) 13.245 6.030 ( -2.284 -6.855 -4.073) 8.294 6.030 ( -2.284 6.855 -4.073) 8.294 6.238 ( 6.112 -6.947 -2.454) 9.573 6.238 ( 6.112 6.947 -2.454) 9.573 6.445 ( -4.774 -3.120 2.037) 6.056 6.445 ( -4.774 3.120 2.037) 6.056 6.602 ( 0.042 -7.135 -8.455) 11.063 6.602 ( 0.042 7.135 -8.455) 11.063 6.729 ( 3.460 -9.689 10.068) 14.395 6.729 ( 3.460 9.689 10.068) 14.395 6.893 ( 4.713 -3.978 0.316) 6.175 6.893 ( 4.713 3.978 0.316) 6.175 7.086 ( -1.431 -0.915 0.509) 1.773 7.086 ( -1.431 0.915 0.509) 1.773 7.212 ( -4.887 -3.226 -0.167) 5.858 7.212 ( -4.887 3.226 -0.167) 5.858 7.400 ( -2.190 -3.308 -0.417) 3.989 7.400 ( -2.190 3.308 -0.417) 3.989 7.624 ( -2.810 -4.801 -1.743) 5.829 7.624 ( -2.810 4.801 -1.743) 5.829 7.795 ( -4.777 -2.981 -0.878) 5.699 7.795 ( -4.777 2.981 -0.878) 5.699 7.889 ( -4.542 -1.125 -1.599) 4.945 7.889 ( -4.542 1.125 -1.599) 4.945 8.095 ( -4.406 -5.181 -0.297) 6.808 8.095 ( -4.406 5.181 -0.297) 6.808 8.328 ( 5.034 -2.910 -2.213) 6.221 8.328 ( 5.034 2.910 -2.213) 6.221 8.495 ( -3.121 -1.463 -0.082) 3.448 8.495 ( -3.121 1.463 -0.082) 3.448 8.785 ( -2.121 -4.488 2.438) 5.531 8.785 ( -2.121 4.488 2.438) 5.531 9.121 ( 2.313 -5.689 4.260) 7.474 9.121 ( 2.313 5.689 4.260) 7.474 9.334 ( -0.124 -5.111 -2.063) 5.513 9.334 ( -0.124 5.111 -2.063) 5.513 9.738 ( -4.903 -3.195 0.989) 5.935 9.738 ( -4.903 3.195 0.989) 5.935 9.809 ( 2.261 -1.650 -2.907) 4.035 9.809 ( 2.261 1.650 -2.907) 4.035 10.111 ( -6.785 -4.889 -0.870) 8.408 10.111 ( -6.785 4.889 -0.870) 8.408 10.447 ( 11.612 -2.272 6.454) 13.478 10.447 ( 11.612 2.272 6.454) 13.478 10.588 ( -3.495 -4.107 3.898) 6.654 10.588 ( -3.495 4.107 3.898) 6.654 10.876 ( 3.675 -1.370 -2.068) 4.434 10.876 ( 3.675 1.370 -2.068) 4.434 11.681 ( -3.390 -2.023 -1.412) 4.193 11.681 ( -3.390 2.023 -1.412) 4.193 11.973 ( 4.405 -5.246 0.750) 6.891 11.973 ( 4.405 5.246 0.750) 6.891 12.753 ( -1.193 -0.730 1.244) 1.872 12.753 ( -1.193 0.730 1.244) 1.872 13.092 ( 1.236 -3.527 1.281) 3.951 13.092 ( 1.236 3.527 1.281) 3.951 13.452 ( -11.894 -4.229 -7.388) 14.626 13.452 ( -11.894 4.229 -7.388) 14.626 13.570 ( -0.746 -4.000 0.979) 4.185 13.570 ( -0.746 4.000 0.979) 4.185 13.925 ( -15.616 -3.114 -9.877) 18.738 13.925 ( -15.616 3.114 -9.877) 18.738 14.448 ( -2.883 -0.967 0.361) 3.062 14.448 ( -2.883 0.967 0.361) 3.062 14.873 ( 0.770 -3.073 2.548) 4.066 14.873 ( 0.770 3.073 2.548) 4.066 15.032 ( 15.449 -3.336 5.782) 16.829 15.032 ( 15.449 3.336 5.782) 16.829 15.450 ( -0.214 -2.348 -1.523) 2.806 15.450 ( -0.214 2.348 -1.523) 2.806 15.723 ( 0.714 -2.410 4.512) 5.165 15.723 ( 0.714 2.410 4.512) 5.165 15.818 ( 5.350 -1.844 -3.149) 6.476 15.818 ( 5.350 1.844 -3.149) 6.476 16.200 ( 2.601 -1.765 -1.723) 3.585 16.200 ( 2.601 1.765 -1.723) 3.585 19.285 ( -5.890 -3.838 -3.050) 7.663 19.285 ( -5.890 3.838 -3.050) 7.663 19.580 ( 5.632 -3.669 4.260) 7.958 19.580 ( 5.632 3.669 4.260) 7.958 24.927 ( -0.041 -0.763 -1.285) 1.495 24.927 ( -0.041 0.763 -1.285) 1.495 24.992 ( 2.982 -3.099 -0.674) 4.353 24.992 ( 2.982 3.099 -0.674) 4.353 26.314 ( -0.144 -0.612 0.519) 0.816 26.314 ( -0.144 0.612 0.519) 0.816 26.623 ( 0.839 -1.465 0.701) 1.828 26.623 ( 0.839 1.465 0.701) 1.828 27.653 ( -1.504 -1.418 -1.721) 2.690 27.653 ( -1.504 1.418 -1.721) 2.690 27.851 ( 1.305 -2.266 1.093) 2.834 27.851 ( 1.305 2.266 1.093) 2.834 28.018 ( -3.350 -2.691 0.946) 4.400 28.018 ( -3.350 2.691 0.946) 4.400 28.105 ( -1.294 -5.722 1.233) 5.995 28.105 ( -1.294 5.722 1.233) 5.995 28.412 ( 4.213 -5.156 -0.049) 6.658 28.412 ( 4.213 5.156 -0.049) 6.658 28.535 ( -1.000 -4.538 0.884) 4.730 28.535 ( -1.000 4.538 0.884) 4.730 28.925 ( 1.779 -1.603 -2.818) 3.698 28.925 ( 1.779 1.603 -2.818) 3.698 29.103 ( -0.902 -2.701 1.990) 3.474 29.103 ( -0.902 2.701 1.990) 3.474 29.983 ( -8.514 -6.553 -11.359) 15.635 29.983 ( -8.514 6.553 -11.359) 15.635 30.281 ( 5.259 -0.167 10.543) 11.783 30.281 ( 5.259 0.167 10.543) 11.783 ======================= Grid point 123 (68/72) ======================= q-point: ( 0.29 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -3.653 -7.487 -7.792) 11.407 2.144 ( -3.653 7.487 -7.792) 11.407 2.630 ( 9.320 -5.214 -3.058) 11.108 2.630 ( 9.320 5.214 -3.058) 11.108 2.813 ( 10.390 -3.377 0.658) 10.945 2.813 ( 10.390 3.377 0.658) 10.945 3.065 ( 3.841 -7.434 -2.989) 8.886 3.065 ( 3.841 7.434 -2.989) 8.886 3.356 ( 1.644 -6.707 3.520) 7.751 3.356 ( 1.644 6.707 3.520) 7.751 3.655 ( 0.712 -6.817 6.066) 9.153 3.655 ( 0.712 6.817 6.066) 9.153 3.782 ( -8.875 -3.844 -4.714) 10.760 3.782 ( -8.875 3.844 -4.714) 10.760 3.902 ( -5.369 -10.393 0.461) 11.707 3.902 ( -5.369 10.393 0.461) 11.707 4.200 ( 0.327 -8.989 1.046) 9.055 4.200 ( 0.327 8.989 1.046) 9.055 4.414 ( 3.556 -6.971 -2.150) 8.116 4.414 ( 3.556 6.971 -2.150) 8.116 4.599 ( 4.063 -11.793 3.749) 13.024 4.599 ( 4.063 11.793 3.749) 13.024 4.868 ( 8.047 -4.697 6.652) 11.449 4.868 ( 8.047 4.697 6.652) 11.449 4.989 ( 3.213 -6.751 5.986) 9.577 4.989 ( 3.213 6.751 5.986) 9.577 5.168 ( 7.678 -7.702 -3.452) 11.410 5.168 ( 7.678 7.702 -3.452) 11.410 5.286 ( 2.156 -4.478 -3.750) 6.226 5.286 ( 2.156 4.478 -3.750) 6.226 5.447 ( 6.021 -5.146 3.144) 8.522 5.447 ( 6.021 5.146 3.144) 8.522 5.795 ( 2.990 -7.070 -4.398) 8.847 5.795 ( 2.990 7.070 -4.398) 8.847 5.894 ( -0.554 -3.429 -8.103) 8.816 5.894 ( -0.554 3.429 -8.103) 8.816 6.125 ( 5.300 -10.799 -1.951) 12.187 6.125 ( 5.300 10.799 -1.951) 12.187 6.280 ( 7.127 -9.284 -3.488) 12.213 6.280 ( 7.127 9.284 -3.488) 12.213 6.373 ( -5.644 -2.253 3.435) 6.981 6.373 ( -5.644 2.253 3.435) 6.981 6.593 ( 3.897 -6.626 -1.974) 7.936 6.593 ( 3.897 6.626 -1.974) 7.936 6.772 ( -4.756 -5.780 4.245) 8.606 6.772 ( -4.756 5.780 4.245) 8.606 6.954 ( -9.764 -2.415 -5.774) 11.598 6.954 ( -9.764 2.415 -5.774) 11.598 7.066 ( 3.474 -6.164 -1.818) 7.305 7.066 ( 3.474 6.164 -1.818) 7.305 7.177 ( 3.421 -1.994 10.005) 10.760 7.177 ( 3.421 1.994 10.005) 10.760 7.363 ( -2.859 -3.052 3.960) 5.759 7.363 ( -2.859 3.052 3.960) 5.759 7.553 ( -3.042 -4.533 -2.394) 5.961 7.553 ( -3.042 4.533 -2.394) 5.961 7.688 ( -1.541 -3.279 -2.333) 4.309 7.688 ( -1.541 3.279 -2.333) 4.309 7.770 ( -5.193 -3.001 -0.410) 6.011 7.770 ( -5.193 3.001 -0.410) 6.011 8.054 ( -2.385 -4.653 3.440) 6.259 8.054 ( -2.385 4.653 3.440) 6.259 8.364 ( 1.837 -2.810 -4.388) 5.525 8.364 ( 1.837 2.810 -4.388) 5.525 8.425 ( -2.900 -2.811 1.076) 4.180 8.425 ( -2.900 2.811 1.076) 4.180 8.874 ( 3.243 -2.344 5.710) 6.972 8.874 ( 3.243 2.344 5.710) 6.972 9.127 ( -4.114 -4.850 0.974) 6.434 9.127 ( -4.114 4.850 0.974) 6.434 9.306 ( 0.820 -6.198 -2.039) 6.576 9.306 ( 0.820 6.198 -2.039) 6.576 9.574 ( -8.324 -2.942 -2.486) 9.172 9.574 ( -8.324 2.942 -2.486) 9.172 9.878 ( 2.833 -1.535 1.364) 3.499 9.878 ( 2.833 1.535 1.364) 3.499 10.073 ( -2.244 -2.995 3.378) 5.041 10.073 ( -2.244 2.995 3.378) 5.041 10.478 ( -8.277 -7.370 -0.326) 11.087 10.478 ( -8.277 7.370 -0.326) 11.087 10.677 ( 6.062 -3.622 0.108) 7.062 10.677 ( 6.062 3.622 0.108) 7.062 10.936 ( 4.209 -3.382 -1.090) 5.508 10.936 ( 4.209 3.382 -1.090) 5.508 11.690 ( 4.124 -4.169 2.289) 6.295 11.690 ( 4.124 4.169 2.289) 6.295 11.975 ( -3.535 -7.315 -3.260) 8.754 11.975 ( -3.535 7.315 -3.260) 8.754 12.756 ( -2.719 -1.715 1.777) 3.673 12.756 ( -2.719 1.715 1.777) 3.673 13.004 ( -6.975 -2.195 -4.820) 8.757 13.004 ( -6.975 2.195 -4.820) 8.757 13.199 ( 0.922 -5.512 -0.867) 5.656 13.199 ( 0.922 5.512 -0.867) 5.656 13.557 ( -0.680 -1.550 0.997) 1.964 13.557 ( -0.680 1.550 0.997) 1.964 13.817 ( 0.305 -2.194 1.256) 2.547 13.817 ( 0.305 2.194 1.256) 2.547 14.317 ( -6.785 -2.345 -1.701) 7.378 14.317 ( -6.785 2.345 -1.701) 7.378 14.881 ( -0.451 -5.052 -0.085) 5.073 14.881 ( -0.451 5.052 -0.085) 5.073 15.268 ( 4.269 -3.334 0.309) 5.426 15.268 ( 4.269 3.334 0.309) 5.426 15.424 ( -0.323 -5.162 -2.406) 5.705 15.424 ( -0.323 5.162 -2.406) 5.705 15.780 ( 0.354 -3.183 3.830) 4.992 15.780 ( 0.354 3.183 3.830) 4.992 15.902 ( 5.792 -1.780 -1.967) 6.370 15.902 ( 5.792 1.780 -1.967) 6.370 16.248 ( 4.969 -1.697 -1.638) 5.500 16.248 ( 4.969 1.697 -1.638) 5.500 19.204 ( -1.425 -2.110 0.927) 2.710 19.204 ( -1.425 2.110 0.927) 2.710 19.671 ( 0.544 -3.271 0.704) 3.390 19.671 ( 0.544 3.271 0.704) 3.390 24.915 ( 0.899 -0.366 -2.374) 2.564 24.915 ( 0.899 0.366 -2.374) 2.564 25.020 ( 1.731 -2.951 -2.363) 4.158 25.020 ( 1.731 2.951 -2.363) 4.158 26.321 ( 0.298 -0.536 0.707) 0.936 26.321 ( 0.298 0.536 0.707) 0.936 26.662 ( 1.209 -1.372 2.531) 3.123 26.662 ( 1.209 1.372 2.531) 3.123 27.632 ( 0.953 -2.484 -0.055) 2.661 27.632 ( 0.953 2.484 -0.055) 2.661 27.853 ( -2.096 -3.731 0.521) 4.311 27.853 ( -2.096 3.731 0.521) 4.311 27.973 ( -2.113 -1.512 0.577) 2.661 27.973 ( -2.113 1.512 0.577) 2.661 28.107 ( 0.781 -5.394 0.322) 5.459 28.107 ( 0.781 5.394 0.322) 5.459 28.452 ( 0.204 -1.669 -0.695) 1.819 28.452 ( 0.204 1.669 -0.695) 1.819 28.539 ( 0.948 -5.264 -0.428) 5.366 28.539 ( 0.948 5.264 -0.428) 5.366 28.920 ( 1.695 -0.124 -3.517) 3.906 28.920 ( 1.695 0.124 -3.517) 3.906 29.090 ( -3.413 -4.783 0.031) 5.876 29.090 ( -3.413 4.783 0.031) 5.876 29.810 ( -0.428 -5.330 -2.746) 6.011 29.810 ( -0.428 5.330 -2.746) 6.011 30.418 ( -0.996 -2.516 6.950) 7.458 30.418 ( -0.996 2.516 6.950) 7.458 ======================= Grid point 125 (69/72) ======================= q-point: ( 0.43 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 1.987 -3.199 -2.198) 4.360 2.090 ( 1.987 3.199 -2.198) 4.360 2.775 ( 4.724 -8.717 4.206) 10.770 2.775 ( 4.724 8.717 4.206) 10.770 2.918 ( 5.447 -10.186 -6.243) 13.130 2.918 ( 5.447 10.186 -6.243) 13.130 3.191 ( 1.088 -2.773 2.373) 3.808 3.191 ( 1.088 2.773 2.373) 3.808 3.363 ( 0.592 -7.957 3.267) 8.622 3.363 ( 0.592 7.958 3.267) 8.622 3.524 ( -7.501 -5.200 3.761) 9.871 3.524 ( -7.501 5.200 3.761) 9.871 3.776 ( -3.920 -2.173 -4.440) 6.309 3.776 ( -3.920 2.173 -4.440) 6.309 3.842 ( 4.412 -4.326 0.919) 6.247 3.842 ( 4.412 4.326 0.919) 6.247 4.162 ( 0.995 -4.717 -2.306) 5.343 4.162 ( 0.995 4.717 -2.306) 5.343 4.490 ( 2.161 -2.127 -0.884) 3.159 4.490 ( 2.161 2.127 -0.884) 3.159 4.757 ( 7.046 -11.828 6.672) 15.300 4.757 ( 7.046 11.828 6.672) 15.300 5.019 ( -0.950 -2.955 5.244) 6.093 5.019 ( -0.950 2.955 5.244) 6.093 5.087 ( -1.067 -2.366 0.758) 2.703 5.087 ( -1.067 2.366 0.758) 2.703 5.198 ( 4.499 -4.651 -0.268) 6.476 5.198 ( 4.499 4.651 -0.268) 6.476 5.374 ( 6.688 -1.400 -0.530) 6.854 5.374 ( 6.688 1.400 -0.530) 6.854 5.477 ( -3.426 -1.527 -2.076) 4.287 5.477 ( -3.426 1.527 -2.076) 4.287 5.730 ( -4.988 -3.669 -3.159) 6.951 5.730 ( -4.988 3.669 -3.159) 6.951 5.860 ( 1.494 -3.515 -7.860) 8.738 5.860 ( 1.494 3.515 -7.860) 8.738 6.048 ( 1.135 -4.834 -5.383) 7.324 6.048 ( 1.135 4.834 -5.383) 7.324 6.304 ( -3.029 -2.838 0.704) 4.210 6.304 ( -3.029 2.838 0.704) 4.210 6.465 ( 3.244 -3.529 0.853) 4.869 6.465 ( 3.244 3.529 0.853) 4.869 6.609 ( 0.971 -6.441 -2.640) 7.029 6.609 ( 0.971 6.441 -2.640) 7.029 6.742 ( 3.856 -8.236 1.345) 9.193 6.742 ( 3.856 8.236 1.345) 9.193 6.818 ( -2.338 -5.140 1.850) 5.942 6.818 ( -2.338 5.140 1.850) 5.942 7.040 ( -2.657 -4.001 0.327) 4.814 7.040 ( -2.657 4.001 0.327) 4.814 7.277 ( -2.353 -3.153 0.928) 4.043 7.277 ( -2.353 3.153 0.928) 4.043 7.389 ( 0.363 -2.638 4.237) 5.005 7.389 ( 0.363 2.638 4.237) 5.005 7.527 ( 2.938 -5.327 -2.134) 6.446 7.527 ( 2.938 5.327 -2.134) 6.446 7.695 ( -3.241 -3.013 3.345) 5.547 7.695 ( -3.241 3.013 3.345) 5.547 7.708 ( 3.310 -2.590 -3.333) 5.364 7.708 ( 3.310 2.590 -3.333) 5.364 8.097 ( 1.411 -3.431 7.720) 8.566 8.097 ( 1.411 3.431 7.720) 8.566 8.321 ( -0.343 -2.350 -3.729) 4.421 8.321 ( -0.343 2.350 -3.729) 4.421 8.435 ( 1.450 -3.145 2.418) 4.224 8.435 ( 1.450 3.145 2.418) 4.224 8.878 ( -6.747 -3.714 -2.019) 7.962 8.878 ( -6.747 3.714 -2.019) 7.962 9.064 ( -2.706 -3.586 2.776) 5.281 9.064 ( -2.706 3.586 2.776) 5.281 9.352 ( 4.775 -1.876 -0.190) 5.134 9.352 ( 4.775 1.876 -0.190) 5.134 9.473 ( 0.512 -0.846 1.149) 1.516 9.473 ( 0.512 0.846 1.149) 1.516 9.836 ( -9.044 -4.492 -6.823) 12.187 9.836 ( -9.044 4.492 -6.823) 12.187 10.077 ( 3.108 -6.848 4.954) 9.006 10.077 ( 3.108 6.848 4.954) 9.006 10.317 ( -6.811 -2.960 -1.121) 7.511 10.317 ( -6.811 2.960 -1.121) 7.511 10.748 ( 2.375 -2.508 -0.367) 3.473 10.748 ( 2.375 2.508 -0.367) 3.473 10.924 ( -1.808 -2.182 -5.707) 6.372 10.924 ( -1.808 2.182 -5.707) 6.372 11.771 ( -0.672 -5.190 0.668) 5.276 11.771 ( -0.672 5.190 0.668) 5.276 11.895 ( 1.522 -7.343 -0.769) 7.538 11.895 ( 1.522 7.343 -0.769) 7.538 12.711 ( 0.106 -0.850 0.066) 0.859 12.711 ( 0.106 0.850 0.066) 0.859 13.001 ( 0.794 -2.164 3.010) 3.791 13.001 ( 0.794 2.164 3.010) 3.791 13.238 ( 2.734 -3.611 -1.012) 4.641 13.238 ( 2.734 3.611 -1.012) 4.641 13.668 ( 8.596 -0.537 6.411) 10.737 13.668 ( 8.596 0.537 6.411) 10.737 13.785 ( -3.447 -1.815 1.584) 4.205 13.785 ( -3.447 1.815 1.584) 4.205 14.197 ( -5.821 -2.369 -3.315) 7.106 14.197 ( -5.821 2.369 -3.315) 7.106 14.901 ( 2.392 -4.719 2.701) 5.941 14.901 ( 2.392 4.719 2.701) 5.941 15.239 ( -2.936 -0.804 -4.603) 5.519 15.239 ( -2.936 0.804 -4.603) 5.519 15.369 ( -1.812 -3.661 -4.385) 5.992 15.369 ( -1.812 3.661 -4.385) 5.992 15.813 ( -0.297 -1.711 2.722) 3.229 15.813 ( -0.297 1.711 2.722) 3.229 15.968 ( 2.828 -1.564 -0.813) 3.333 15.968 ( 2.828 1.564 -0.813) 3.333 16.322 ( 2.990 -2.065 -0.324) 3.648 16.322 ( 2.990 2.065 -0.324) 3.648 19.240 ( 2.084 -1.458 3.565) 4.379 19.240 ( 2.084 1.458 3.565) 4.379 19.622 ( -3.311 -2.466 -3.154) 5.196 19.622 ( -3.311 2.466 -3.154) 5.196 24.909 ( 0.579 -0.788 -1.730) 1.987 24.909 ( 0.579 0.788 -1.730) 1.987 25.010 ( 0.107 -1.848 -2.495) 3.107 25.010 ( 0.107 1.848 -2.495) 3.107 26.336 ( 0.316 -0.242 0.830) 0.921 26.336 ( 0.316 0.242 0.830) 0.921 26.707 ( 0.738 -1.011 2.267) 2.590 26.707 ( 0.738 1.011 2.267) 2.590 27.680 ( 2.226 -2.603 1.741) 3.842 27.680 ( 2.226 2.603 1.741) 3.842 27.826 ( -0.875 -2.522 1.595) 3.110 27.826 ( -0.875 2.522 1.595) 3.110 27.929 ( -2.593 -1.771 -1.214) 3.366 27.929 ( -2.593 1.771 -1.214) 3.366 28.140 ( 1.934 -3.266 0.319) 3.809 28.140 ( 1.934 3.266 0.319) 3.809 28.414 ( -4.813 -3.849 2.599) 6.689 28.414 ( -4.813 3.849 2.599) 6.689 28.554 ( 3.885 -1.380 -4.894) 6.399 28.554 ( 3.885 1.380 -4.894) 6.399 28.921 ( 1.297 -0.485 -2.154) 2.561 28.921 ( 1.297 0.485 -2.154) 2.561 28.987 ( -4.640 -7.340 -2.085) 8.930 28.987 ( -4.640 7.340 -2.085) 8.930 29.887 ( 5.807 -2.127 3.054) 6.897 29.887 ( 5.807 2.127 3.054) 6.897 30.403 ( -4.123 -2.440 1.929) 5.165 30.403 ( -4.123 2.440 1.929) 5.165 ======================= Grid point 127 (70/72) ======================= q-point: (-0.43 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 4.935 -4.641 -5.051) 8.450 2.128 ( 4.935 4.641 -5.051) 8.450 2.731 ( -15.197 -9.500 6.772) 19.159 2.731 ( -15.197 9.500 6.772) 19.159 2.908 ( -4.972 -10.839 -4.192) 12.640 2.908 ( -4.972 10.839 -4.192) 12.640 3.127 ( -7.024 -9.572 5.862) 13.241 3.127 ( -7.024 9.572 5.862) 13.241 3.353 ( -3.418 -6.441 3.414) 8.051 3.353 ( -3.418 6.441 3.414) 8.051 3.612 ( 5.462 -2.461 6.222) 8.637 3.612 ( 5.462 2.461 6.222) 8.637 3.731 ( 6.254 -9.885 -8.611) 14.525 3.731 ( 6.254 9.885 -8.611) 14.525 3.923 ( 7.468 -5.258 -5.212) 10.516 3.923 ( 7.468 5.258 -5.212) 10.516 4.176 ( 2.732 -5.050 -3.687) 6.824 4.176 ( 2.732 5.050 -3.687) 6.824 4.440 ( -7.542 -5.483 1.419) 9.432 4.440 ( -7.542 5.483 1.419) 9.432 4.884 ( -6.137 -6.755 -3.768) 9.874 4.884 ( -6.137 6.755 -3.768) 9.874 4.927 ( -1.296 -3.493 10.746) 11.374 4.927 ( -1.296 3.493 10.746) 11.374 5.109 ( -3.287 -3.684 6.211) 7.934 5.109 ( -3.287 3.684 6.211) 7.934 5.209 ( -4.667 -4.095 -6.187) 8.765 5.209 ( -4.667 4.095 -6.187) 8.765 5.385 ( 1.912 -7.074 -1.463) 7.472 5.385 ( 1.912 7.074 -1.463) 7.472 5.539 ( 8.533 -1.620 4.306) 9.695 5.539 ( 8.533 1.620 4.306) 9.695 5.622 ( -3.364 -1.943 -2.583) 4.665 5.622 ( -3.364 1.943 -2.583) 4.665 5.773 ( -0.898 -1.568 -3.779) 4.188 5.773 ( -0.898 1.568 -3.779) 4.188 6.007 ( -8.192 -4.040 -0.036) 9.134 6.007 ( -8.192 4.040 -0.036) 9.134 6.272 ( -1.166 -4.259 2.429) 5.039 6.272 ( -1.166 4.259 2.429) 5.039 6.468 ( 1.764 -1.903 0.507) 2.644 6.468 ( 1.764 1.903 0.507) 2.644 6.638 ( -1.288 -4.649 -2.741) 5.549 6.638 ( -1.288 4.649 -2.741) 5.549 6.747 ( 0.767 -4.789 -2.159) 5.309 6.747 ( 0.767 4.789 -2.159) 5.309 6.894 ( 3.318 -4.532 0.117) 5.618 6.894 ( 3.318 4.532 0.117) 5.618 7.024 ( 1.690 -0.661 0.110) 1.818 7.024 ( 1.690 0.661 0.110) 1.818 7.233 ( -0.048 -2.646 1.584) 3.085 7.233 ( -0.048 2.646 1.584) 3.085 7.437 ( 0.157 -0.937 2.991) 3.138 7.437 ( 0.157 0.937 2.991) 3.138 7.533 ( 0.491 -3.786 -6.014) 7.123 7.533 ( 0.491 3.786 -6.014) 7.123 7.675 ( 0.853 -4.045 1.547) 4.414 7.675 ( 0.853 4.045 1.547) 4.414 7.759 ( 4.173 -3.078 -2.513) 5.762 7.759 ( 4.173 3.078 -2.513) 5.762 8.192 ( -0.082 -3.719 4.482) 5.824 8.192 ( -0.082 3.719 4.482) 5.824 8.293 ( 2.577 -2.793 -5.178) 6.422 8.293 ( 2.577 2.793 -5.178) 6.422 8.478 ( -3.426 -1.819 -0.655) 3.934 8.478 ( -3.426 1.819 -0.655) 3.934 8.772 ( 1.347 -1.388 5.671) 5.991 8.772 ( 1.347 1.388 5.671) 5.991 9.088 ( 1.957 -1.342 1.684) 2.910 9.088 ( 1.957 1.342 1.684) 2.910 9.383 ( 0.438 -5.672 -3.182) 6.518 9.383 ( 0.438 5.672 -3.182) 6.518 9.562 ( -6.522 -4.209 -5.066) 9.269 9.562 ( -6.522 4.209 -5.066) 9.269 9.660 ( 10.460 -5.964 5.660) 13.304 9.660 ( 10.460 5.964 5.660) 13.304 10.163 ( -2.221 -2.375 -1.691) 3.665 10.163 ( -2.221 2.375 -1.691) 3.665 10.268 ( 3.832 -1.556 3.613) 5.492 10.268 ( 3.832 1.556 3.613) 5.492 10.747 ( -2.366 -1.903 2.256) 3.783 10.747 ( -2.366 1.903 2.256) 3.783 10.848 ( -0.062 -0.371 -2.563) 2.591 10.848 ( -0.062 0.371 -2.563) 2.591 11.753 ( -1.276 -2.130 1.903) 3.128 11.753 ( -1.276 2.130 1.903) 3.128 11.918 ( 0.479 -4.704 -2.293) 5.255 11.918 ( 0.479 4.704 -2.293) 5.255 12.714 ( -1.078 -0.175 0.069) 1.094 12.714 ( -1.078 0.175 0.069) 1.094 13.041 ( 2.057 -1.911 0.431) 2.841 13.041 ( 2.057 1.911 0.431) 2.841 13.256 ( 1.379 -1.758 -3.644) 4.275 13.256 ( 1.379 1.758 -3.644) 4.275 13.705 ( -1.110 -1.046 1.275) 1.988 13.705 ( -1.110 1.046 1.275) 1.988 13.925 ( -4.249 -1.274 -5.735) 7.251 13.925 ( -4.249 1.274 -5.735) 7.251 14.081 ( 8.470 -0.352 4.693) 9.689 14.081 ( 8.470 0.352 4.693) 9.689 14.954 ( -3.662 -2.492 0.805) 4.502 14.954 ( -3.662 2.492 0.805) 4.502 15.166 ( 2.440 -3.060 0.011) 3.914 15.166 ( 2.440 3.060 0.011) 3.914 15.309 ( -1.062 -0.448 -0.556) 1.279 15.309 ( -1.062 0.448 -0.556) 1.279 15.826 ( -0.821 -1.945 1.611) 2.655 15.826 ( -0.821 1.945 1.611) 2.655 15.974 ( -1.465 -1.444 -1.096) 2.331 15.974 ( -1.465 1.444 -1.096) 2.331 16.323 ( -2.602 -0.875 -0.422) 2.778 16.323 ( -2.602 0.875 -0.422) 2.778 19.299 ( 0.458 -0.970 -0.549) 1.205 19.299 ( 0.458 0.970 -0.549) 1.205 19.563 ( 0.654 -0.679 0.983) 1.362 19.563 ( 0.654 0.679 0.983) 1.362 24.895 ( -0.950 -0.075 -0.586) 1.118 24.895 ( -0.950 0.075 -0.586) 1.118 24.985 ( -0.750 -0.794 -0.551) 1.223 24.985 ( -0.750 0.794 -0.551) 1.223 26.343 ( -0.325 -0.775 0.318) 0.899 26.343 ( -0.325 0.775 0.318) 0.899 26.728 ( -0.040 -0.874 0.525) 1.020 26.728 ( -0.040 0.874 0.525) 1.020 27.706 ( -0.695 -0.910 -0.187) 1.160 27.706 ( -0.695 0.910 -0.187) 1.160 27.857 ( -0.964 -0.478 -1.279) 1.671 27.857 ( -0.964 0.478 -1.279) 1.671 27.878 ( 0.821 -0.406 3.296) 3.421 27.878 ( 0.821 0.406 3.296) 3.421 28.154 ( -0.138 -0.638 -1.635) 1.760 28.154 ( -0.138 0.638 -1.635) 1.760 28.359 ( -5.639 -4.452 6.428) 9.641 28.359 ( -5.639 4.452 6.428) 9.641 28.586 ( 5.951 -5.177 -6.643) 10.313 28.586 ( 5.951 5.177 -6.643) 10.313 28.878 ( -3.900 -4.515 1.747) 6.217 28.878 ( -3.900 4.515 1.747) 6.217 28.975 ( 3.956 -4.462 -0.957) 6.039 28.975 ( 3.956 4.462 -0.957) 6.039 29.946 ( -2.545 -0.877 -1.919) 3.306 29.946 ( -2.545 0.877 -1.919) 3.306 30.408 ( 4.745 -0.581 1.647) 5.057 30.408 ( 4.745 0.581 1.647) 5.057 ======================= Grid point 129 (71/72) ======================= q-point: (-0.29 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -3.401 -11.431 -5.183) 13.004 2.087 ( -3.401 11.431 -5.183) 13.004 2.538 ( -12.712 -10.455 8.607) 18.574 2.538 ( -12.712 10.455 8.607) 18.574 2.719 ( -12.161 -8.264 2.458) 14.907 2.719 ( -12.161 8.264 2.458) 14.907 2.954 ( -11.339 -10.258 6.162) 16.485 2.954 ( -11.339 10.258 6.162) 16.485 3.525 ( 8.553 -8.410 -0.015) 11.996 3.525 ( 8.553 8.411 -0.015) 11.996 3.665 ( 1.815 -6.646 0.239) 6.894 3.665 ( 1.815 6.646 0.239) 6.894 3.723 ( 0.844 -5.398 -1.321) 5.621 3.723 ( 0.844 5.398 -1.321) 5.621 3.976 ( 1.931 -3.768 -6.353) 7.634 3.976 ( 1.931 3.768 -6.353) 7.634 4.255 ( 6.255 -9.552 2.444) 11.676 4.255 ( 6.255 9.551 2.444) 11.676 4.290 ( -6.494 -5.028 -1.739) 8.395 4.290 ( -6.494 5.028 -1.739) 8.395 4.756 ( -2.814 -8.031 -5.146) 9.945 4.756 ( -2.814 8.031 -5.146) 9.945 4.904 ( -8.643 -2.999 4.520) 10.205 4.904 ( -8.643 2.999 4.520) 10.205 5.044 ( -9.957 -0.710 -0.731) 10.009 5.044 ( -9.957 0.710 -0.731) 10.009 5.112 ( 0.510 -3.828 -0.207) 3.868 5.112 ( 0.510 3.828 -0.207) 3.868 5.401 ( 1.417 -3.012 -8.610) 9.231 5.401 ( 1.417 3.012 -8.610) 9.231 5.492 ( -3.971 -2.715 -0.793) 4.875 5.492 ( -3.971 2.715 -0.793) 4.875 5.676 ( -2.824 -7.105 4.716) 8.983 5.676 ( -2.824 7.105 4.716) 8.983 5.743 ( -6.098 -3.429 4.026) 8.072 5.743 ( -6.098 3.429 4.026) 8.072 5.933 ( -0.379 -5.065 8.026) 9.499 5.933 ( -0.379 5.065 8.026) 9.499 6.271 ( -0.802 -4.825 2.961) 5.718 6.271 ( -0.802 4.825 2.961) 5.718 6.463 ( -2.528 -10.107 -7.126) 12.622 6.463 ( -2.528 10.107 -7.126) 12.623 6.579 ( 1.690 -7.929 1.747) 8.293 6.579 ( 1.690 7.929 1.747) 8.293 6.809 ( 7.820 -5.400 -0.649) 9.525 6.809 ( 7.820 5.400 -0.649) 9.525 6.914 ( -2.568 -5.785 2.063) 6.657 6.914 ( -2.568 5.785 2.063) 6.657 7.058 ( 3.356 -8.062 -3.017) 9.239 7.058 ( 3.356 8.062 -3.017) 9.239 7.306 ( 3.764 -1.550 0.193) 4.076 7.306 ( 3.764 1.550 0.193) 4.076 7.432 ( -1.720 -5.083 -3.455) 6.382 7.432 ( -1.720 5.083 -3.455) 6.382 7.459 ( -3.114 -3.455 2.966) 5.517 7.459 ( -3.114 3.455 2.966) 5.517 7.732 ( 3.695 -6.464 -4.735) 8.824 7.732 ( 3.695 6.464 -4.735) 8.824 7.802 ( 5.444 -4.474 -1.605) 7.227 7.802 ( 5.444 4.474 -1.605) 7.227 8.183 ( -0.260 -4.399 -4.217) 6.099 8.183 ( -0.260 4.399 -4.217) 6.099 8.293 ( 1.534 -1.311 -2.300) 3.059 8.293 ( 1.534 1.311 -2.300) 3.059 8.406 ( -1.581 -6.094 2.826) 6.901 8.406 ( -1.581 6.094 2.826) 6.901 8.910 ( 1.692 -2.323 4.085) 4.995 8.910 ( 1.692 2.323 4.085) 4.995 9.144 ( 3.149 -2.892 -1.123) 4.421 9.144 ( 3.149 2.892 -1.123) 4.421 9.308 ( -1.967 -6.621 -2.917) 7.498 9.308 ( -1.967 6.621 -2.917) 7.498 9.543 ( 6.500 -2.473 0.056) 6.955 9.543 ( 6.500 2.473 0.056) 6.955 9.900 ( 2.467 -2.286 2.310) 4.080 9.900 ( 2.467 2.286 2.310) 4.080 10.076 ( 0.865 -4.739 0.628) 4.858 10.076 ( 0.865 4.739 0.628) 4.858 10.430 ( 8.454 -2.967 3.153) 9.498 10.430 ( 8.454 2.967 3.153) 9.498 10.696 ( -3.695 -2.004 -2.073) 4.686 10.696 ( -3.695 2.004 -2.073) 4.686 10.878 ( -0.518 -3.354 4.817) 5.893 10.878 ( -0.518 3.354 4.817) 5.893 11.754 ( -2.219 -5.507 -1.561) 6.139 11.754 ( -2.219 5.507 -1.561) 6.139 11.897 ( 1.912 -8.932 2.030) 9.357 11.897 ( 1.912 8.932 2.030) 9.357 12.728 ( 4.128 -1.047 2.496) 4.936 12.728 ( 4.128 1.047 2.496) 4.936 13.040 ( -0.886 -2.313 -5.263) 5.816 13.040 ( -0.886 2.313 -5.263) 5.816 13.212 ( -2.026 -3.781 -3.061) 5.270 13.212 ( -2.026 3.781 -3.061) 5.270 13.625 ( -3.202 -1.225 -4.859) 5.947 13.625 ( -3.202 1.225 -4.859) 5.947 13.821 ( -0.619 -2.995 0.654) 3.128 13.821 ( -0.619 2.995 0.654) 3.128 14.289 ( 6.304 -2.264 1.145) 6.796 14.289 ( 6.304 2.264 1.145) 6.796 14.886 ( -0.380 -5.031 0.060) 5.046 14.886 ( -0.380 5.031 0.060) 5.046 15.235 ( 0.518 -2.198 1.413) 2.664 15.235 ( 0.518 2.198 1.413) 2.664 15.347 ( 2.115 -2.571 4.951) 5.966 15.347 ( 2.115 2.571 4.951) 5.966 15.814 ( -2.160 -5.059 0.851) 5.566 15.814 ( -2.160 5.059 0.851) 5.566 15.897 ( -4.664 -5.115 -1.702) 7.128 15.897 ( -4.664 5.115 -1.702) 7.128 16.231 ( -6.369 -0.624 -0.089) 6.401 16.231 ( -6.369 0.624 -0.089) 6.401 19.255 ( -0.738 -1.496 -3.402) 3.789 19.255 ( -0.738 1.496 -3.402) 3.789 19.647 ( 3.264 -3.570 2.887) 5.634 19.647 ( 3.264 3.570 2.887) 5.634 24.870 ( -1.713 -0.606 1.213) 2.185 24.870 ( -1.713 0.606 1.213) 2.185 24.973 ( -1.249 -2.211 1.481) 2.940 24.973 ( -1.249 2.211 1.481) 2.940 26.331 ( -0.893 -1.276 -0.128) 1.563 26.331 ( -0.893 1.276 -0.128) 1.563 26.715 ( -0.674 -0.857 -1.719) 2.035 26.715 ( -0.674 0.857 -1.719) 2.035 27.653 ( -2.793 -3.251 -1.713) 4.615 27.653 ( -2.793 3.251 -1.713) 4.615 27.844 ( 0.600 -2.459 0.875) 2.678 27.844 ( 0.600 2.459 0.875) 2.678 27.947 ( 1.252 -1.299 3.419) 3.866 27.947 ( 1.252 1.299 3.419) 3.866 28.120 ( -0.501 -4.560 -1.851) 4.946 28.120 ( -0.501 4.560 -1.851) 4.946 28.341 ( -4.520 -3.779 7.235) 9.331 28.341 ( -4.520 3.779 7.235) 9.331 28.614 ( 3.316 -8.580 -5.225) 10.580 28.614 ( 3.316 8.580 -5.225) 10.580 28.853 ( -1.398 -4.906 2.424) 5.648 28.853 ( -1.398 4.906 2.424) 5.648 29.073 ( 5.917 -4.661 1.057) 7.606 29.073 ( 5.917 4.661 1.057) 7.606 29.820 ( -5.143 -1.395 -2.986) 6.109 29.820 ( -5.143 1.395 -2.986) 6.109 30.538 ( 7.145 -1.564 -3.079) 7.936 30.538 ( 7.145 1.564 -3.079) 7.936 ======================= Grid point 131 (72/72) ======================= q-point: (-0.14 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 0.882 -13.488 12.923) 18.700 2.073 ( 0.882 13.488 12.923) 18.700 2.428 ( -6.452 -11.893 7.096) 15.279 2.428 ( -6.452 11.893 7.096) 15.279 2.542 ( -11.947 -7.934 7.946) 16.396 2.542 ( -11.947 7.934 7.946) 16.396 2.941 ( 0.725 -10.360 5.825) 11.908 2.941 ( 0.725 10.360 5.825) 11.908 3.440 ( -2.185 -6.055 -15.208) 16.514 3.440 ( -2.185 6.055 -15.208) 16.514 3.661 ( -1.883 -4.847 -3.351) 6.186 3.661 ( -1.883 4.847 -3.351) 6.186 3.836 ( -1.918 -2.380 2.499) 3.948 3.836 ( -1.918 2.380 2.499) 3.948 4.028 ( 6.885 -2.274 2.921) 7.818 4.028 ( 6.885 2.274 2.921) 7.818 4.146 ( 0.097 -5.900 3.331) 6.776 4.146 ( 0.097 5.900 3.331) 6.776 4.381 ( 2.607 -11.371 -0.814) 11.694 4.381 ( 2.607 11.371 -0.814) 11.694 4.684 ( -9.446 -2.796 -4.131) 10.683 4.684 ( -9.446 2.796 -4.131) 10.683 4.735 ( -1.057 -2.159 -2.520) 3.482 4.735 ( -1.057 2.159 -2.520) 3.482 4.883 ( -6.551 -10.504 0.651) 12.397 4.883 ( -6.551 10.504 0.651) 12.397 5.141 ( 4.718 -5.271 -1.348) 7.201 5.141 ( 4.718 5.271 -1.348) 7.201 5.275 ( -5.727 -2.468 -7.272) 9.580 5.275 ( -5.727 2.468 -7.272) 9.580 5.361 ( -3.386 -4.206 -5.223) 7.512 5.361 ( -3.386 4.206 -5.223) 7.512 5.644 ( -6.570 -7.675 4.997) 11.271 5.644 ( -6.570 7.675 4.997) 11.271 5.788 ( 1.195 -8.041 10.964) 13.649 5.788 ( 1.195 8.041 10.964) 13.649 5.977 ( -2.599 -5.703 5.171) 8.125 5.977 ( -2.599 5.703 5.171) 8.125 6.214 ( -1.388 -7.493 -2.356) 7.976 6.214 ( -1.388 7.493 -2.356) 7.976 6.460 ( 0.433 -5.085 2.025) 5.491 6.460 ( 0.433 5.085 2.025) 5.491 6.629 ( 4.490 -5.989 -7.848) 10.845 6.629 ( 4.490 5.989 -7.848) 10.845 6.805 ( -4.793 -7.552 3.573) 9.633 6.805 ( -4.793 7.552 3.573) 9.633 6.993 ( -0.175 -8.672 -3.692) 9.427 6.993 ( -0.175 8.672 -3.692) 9.427 7.051 ( 3.638 -3.382 -0.712) 5.018 7.051 ( 3.638 3.382 -0.712) 5.018 7.256 ( -1.849 -5.202 -4.001) 6.818 7.256 ( -1.849 5.202 -4.001) 6.818 7.437 ( 1.842 -2.507 -3.283) 4.523 7.437 ( 1.842 2.507 -3.283) 4.523 7.494 ( 1.796 -3.552 8.372) 9.270 7.494 ( 1.796 3.552 8.372) 9.270 7.763 ( 5.337 -6.690 -0.494) 8.572 7.763 ( 5.337 6.690 -0.494) 8.572 7.909 ( 5.415 -2.742 -1.128) 6.174 7.909 ( 5.415 2.742 -1.128) 6.174 8.157 ( 2.045 -5.046 -3.750) 6.610 8.157 ( 2.045 5.046 -3.750) 6.610 8.277 ( -1.783 -0.961 0.162) 2.032 8.277 ( -1.783 0.961 0.162) 2.032 8.457 ( 2.514 -3.924 2.755) 5.414 8.457 ( 2.514 3.924 2.755) 5.414 8.865 ( -3.327 -3.626 -3.612) 6.105 8.865 ( -3.327 3.626 -3.612) 6.105 9.198 ( 1.754 -1.722 -1.534) 2.897 9.198 ( 1.754 1.722 -1.534) 2.897 9.298 ( 1.436 -2.768 0.406) 3.145 9.298 ( 1.436 2.768 0.406) 3.145 9.678 ( 4.736 -2.813 2.858) 6.206 9.678 ( 4.736 2.813 2.858) 6.206 9.826 ( -3.204 -1.533 -1.869) 4.013 9.826 ( -3.204 1.533 -1.869) 4.013 10.146 ( 2.211 -3.386 -1.897) 4.467 10.146 ( 2.211 3.386 -1.897) 4.467 10.574 ( -3.502 -3.840 -4.294) 6.741 10.574 ( -3.502 3.840 -4.294) 6.741 10.618 ( 3.656 -4.294 1.621) 5.868 10.618 ( 3.656 4.294 1.621) 5.868 10.842 ( -5.400 -2.571 0.527) 6.004 10.842 ( -5.400 2.571 0.527) 6.004 11.667 ( -0.821 -6.260 -1.362) 6.459 11.667 ( -0.821 6.260 -1.362) 6.459 11.973 ( -0.620 -6.688 1.214) 6.825 11.973 ( -0.620 6.688 1.214) 6.825 12.811 ( -1.656 -0.734 -4.197) 4.572 12.811 ( -1.656 0.734 -4.197) 4.572 13.115 ( 6.210 -2.483 1.803) 6.926 13.115 ( 6.210 2.483 1.803) 6.926 13.205 ( 11.680 -1.529 10.545) 15.810 13.205 ( 11.680 1.529 10.545) 15.810 13.602 ( 1.400 -2.753 -1.874) 3.613 13.602 ( 1.400 2.753 -1.874) 3.613 13.799 ( 0.351 -1.847 2.576) 3.189 13.799 ( 0.351 1.847 2.576) 3.189 14.411 ( 5.446 -1.293 2.575) 6.161 14.411 ( 5.446 1.293 2.575) 6.161 14.897 ( -0.127 -2.351 -0.848) 2.502 14.897 ( -0.127 2.351 -0.848) 2.502 15.165 ( -8.874 -3.098 -4.505) 10.423 15.165 ( -8.874 3.098 -4.505) 10.423 15.420 ( 1.859 -2.065 1.811) 3.316 15.420 ( 1.859 2.065 1.811) 3.316 15.745 ( -6.094 -2.051 1.855) 6.692 15.745 ( -6.094 2.051 1.855) 6.692 15.817 ( -1.376 -3.776 -2.410) 4.686 15.817 ( -1.376 3.776 -2.410) 4.686 16.146 ( -2.866 -0.606 2.492) 3.845 16.146 ( -2.866 0.606 2.492) 3.845 19.252 ( 3.031 -2.594 -0.199) 3.994 19.252 ( 3.031 2.594 -0.199) 3.994 19.662 ( -2.570 -4.328 -2.610) 5.670 19.662 ( -2.570 4.328 -2.610) 5.670 24.872 ( -0.167 -0.278 2.994) 3.012 24.872 ( -0.167 0.278 2.994) 3.012 24.966 ( -1.402 -2.533 1.626) 3.321 24.966 ( -1.402 2.533 1.626) 3.321 26.315 ( -0.744 -1.440 0.229) 1.637 26.315 ( -0.744 1.440 0.229) 1.637 26.673 ( -1.029 -0.560 -3.138) 3.350 26.673 ( -1.029 0.560 -3.138) 3.350 27.623 ( 0.645 -2.456 0.814) 2.667 27.623 ( 0.645 2.456 0.814) 2.667 27.859 ( -0.720 -2.627 0.512) 2.772 27.859 ( -0.720 2.627 0.512) 2.772 27.988 ( 0.096 -0.598 3.414) 3.467 27.988 ( 0.096 0.598 3.414) 3.467 28.122 ( 1.764 -5.275 -0.745) 5.611 28.122 ( 1.764 5.275 -0.745) 5.611 28.331 ( -4.109 -2.292 6.014) 7.636 28.331 ( -4.109 2.292 6.014) 7.636 28.597 ( -0.121 -6.509 -3.206) 7.257 28.597 ( -0.121 6.509 -3.206) 7.257 28.869 ( 0.733 -4.676 1.484) 4.961 28.869 ( 0.733 4.676 1.484) 4.961 29.154 ( 1.939 -1.028 -1.748) 2.806 29.154 ( 1.939 1.028 -1.748) 2.806 29.796 ( 3.141 -3.982 4.773) 6.964 29.796 ( 3.141 3.982 4.773) 6.964 30.535 ( -0.163 -1.061 -11.165) 11.216 30.535 ( -0.163 1.061 -11.165) 11.216 =================== 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 3/30240 10.0 681.925 1002.989 454.626 0.000 19.698 0.000 3/30240 20.0 89.040 142.025 114.495 0.000 1.497 0.000 3/30240 30.0 29.982 39.657 37.440 0.000 -0.032 0.000 3/30240 40.0 15.481 18.356 18.748 0.000 0.054 0.000 3/30240 50.0 9.904 10.971 11.731 0.000 0.085 0.000 3/30240 60.0 7.149 7.566 8.329 0.000 0.087 0.000 3/30240 70.0 5.562 5.700 6.397 0.000 0.083 0.000 3/30240 80.0 4.550 4.553 5.179 0.000 0.080 0.000 3/30240 90.0 3.855 3.787 4.351 0.000 0.077 0.000 3/30240 100.0 3.351 3.243 3.755 0.000 0.076 0.000 3/30240 110.0 2.971 2.839 3.308 0.000 0.076 0.000 3/30240 120.0 2.675 2.527 2.960 0.000 0.077 0.000 3/30240 130.0 2.437 2.280 2.683 0.000 0.078 0.000 3/30240 140.0 2.243 2.079 2.456 0.000 0.079 0.000 3/30240 150.0 2.080 1.912 2.268 0.000 0.081 0.000 3/30240 160.0 1.942 1.771 2.108 0.000 0.082 0.000 3/30240 170.0 1.823 1.651 1.971 0.000 0.082 0.000 3/30240 180.0 1.720 1.548 1.853 0.000 0.083 0.000 3/30240 190.0 1.629 1.457 1.749 0.000 0.083 0.000 3/30240 200.0 1.549 1.377 1.657 0.000 0.084 0.000 3/30240 210.0 1.477 1.306 1.575 0.000 0.084 0.000 3/30240 220.0 1.412 1.243 1.502 0.000 0.084 0.000 3/30240 230.0 1.353 1.186 1.436 0.000 0.083 0.000 3/30240 240.0 1.299 1.134 1.376 0.000 0.083 0.000 3/30240 250.0 1.250 1.087 1.321 0.000 0.083 0.000 3/30240 260.0 1.205 1.044 1.271 0.000 0.082 0.000 3/30240 270.0 1.164 1.005 1.225 0.000 0.081 0.000 3/30240 280.0 1.125 0.969 1.183 0.000 0.081 0.000 3/30240 290.0 1.089 0.936 1.144 0.000 0.080 0.000 3/30240 300.0 1.056 0.904 1.107 0.000 0.079 0.000 3/30240 310.0 1.025 0.876 1.073 0.000 0.079 0.000 3/30240 320.0 0.995 0.849 1.041 0.000 0.078 0.000 3/30240 330.0 0.968 0.824 1.012 0.000 0.077 0.000 3/30240 340.0 0.942 0.800 0.984 0.000 0.076 0.000 3/30240 350.0 0.917 0.778 0.957 0.000 0.075 0.000 3/30240 360.0 0.894 0.757 0.932 0.000 0.075 0.000 3/30240 370.0 0.872 0.737 0.909 0.000 0.074 0.000 3/30240 380.0 0.851 0.719 0.887 0.000 0.073 0.000 3/30240 390.0 0.831 0.701 0.866 0.000 0.072 0.000 3/30240 400.0 0.813 0.684 0.846 0.000 0.071 0.000 3/30240 410.0 0.795 0.668 0.826 0.000 0.070 0.000 3/30240 420.0 0.777 0.653 0.808 0.000 0.070 0.000 3/30240 430.0 0.761 0.639 0.791 0.000 0.069 0.000 3/30240 440.0 0.745 0.625 0.774 0.000 0.068 0.000 3/30240 450.0 0.730 0.612 0.758 0.000 0.067 0.000 3/30240 460.0 0.716 0.599 0.743 0.000 0.066 0.000 3/30240 470.0 0.702 0.587 0.728 0.000 0.066 0.000 3/30240 480.0 0.688 0.575 0.714 0.000 0.065 0.000 3/30240 490.0 0.676 0.564 0.701 0.000 0.064 0.000 3/30240 500.0 0.663 0.554 0.688 0.000 0.063 0.000 3/30240 510.0 0.651 0.543 0.676 0.000 0.062 0.000 3/30240 520.0 0.640 0.533 0.664 0.000 0.062 0.000 3/30240 530.0 0.629 0.524 0.652 0.000 0.061 0.000 3/30240 540.0 0.618 0.515 0.641 0.000 0.060 0.000 3/30240 550.0 0.608 0.506 0.630 0.000 0.060 0.000 3/30240 560.0 0.598 0.497 0.620 0.000 0.059 0.000 3/30240 570.0 0.588 0.489 0.609 0.000 0.058 0.000 3/30240 580.0 0.579 0.481 0.600 0.000 0.058 0.000 3/30240 590.0 0.569 0.473 0.590 0.000 0.057 0.000 3/30240 600.0 0.561 0.466 0.581 0.000 0.056 0.000 3/30240 610.0 0.552 0.459 0.572 0.000 0.056 0.000 3/30240 620.0 0.544 0.452 0.564 0.000 0.055 0.000 3/30240 630.0 0.536 0.445 0.555 0.000 0.054 0.000 3/30240 640.0 0.528 0.438 0.547 0.000 0.054 0.000 3/30240 650.0 0.521 0.432 0.539 0.000 0.053 0.000 3/30240 660.0 0.513 0.426 0.532 0.000 0.053 0.000 3/30240 670.0 0.506 0.419 0.524 0.000 0.052 0.000 3/30240 680.0 0.499 0.414 0.517 0.000 0.051 0.000 3/30240 690.0 0.492 0.408 0.510 0.000 0.051 0.000 3/30240 700.0 0.486 0.402 0.503 0.000 0.050 0.000 3/30240 710.0 0.479 0.397 0.497 0.000 0.050 0.000 3/30240 720.0 0.473 0.392 0.490 0.000 0.049 0.000 3/30240 730.0 0.467 0.387 0.484 0.000 0.049 0.000 3/30240 740.0 0.461 0.382 0.478 0.000 0.048 0.000 3/30240 750.0 0.455 0.377 0.472 0.000 0.048 0.000 3/30240 760.0 0.450 0.372 0.466 0.000 0.047 0.000 3/30240 770.0 0.444 0.367 0.460 0.000 0.047 0.000 3/30240 780.0 0.439 0.363 0.454 0.000 0.046 0.000 3/30240 790.0 0.433 0.358 0.449 0.000 0.046 0.000 3/30240 800.0 0.428 0.354 0.444 0.000 0.045 0.000 3/30240 810.0 0.423 0.350 0.438 0.000 0.045 0.000 3/30240 820.0 0.418 0.346 0.433 0.000 0.045 0.000 3/30240 830.0 0.414 0.342 0.428 0.000 0.044 0.000 3/30240 840.0 0.409 0.338 0.424 0.000 0.044 0.000 3/30240 850.0 0.404 0.334 0.419 0.000 0.043 0.000 3/30240 860.0 0.400 0.330 0.414 0.000 0.043 0.000 3/30240 870.0 0.396 0.327 0.410 0.000 0.042 0.000 3/30240 880.0 0.391 0.323 0.405 0.000 0.042 0.000 3/30240 890.0 0.387 0.320 0.401 0.000 0.042 0.000 3/30240 900.0 0.383 0.316 0.397 0.000 0.041 0.000 3/30240 910.0 0.379 0.313 0.393 0.000 0.041 0.000 3/30240 920.0 0.375 0.310 0.388 0.000 0.041 0.000 3/30240 930.0 0.371 0.306 0.384 0.000 0.040 0.000 3/30240 940.0 0.367 0.303 0.381 0.000 0.040 0.000 3/30240 950.0 0.364 0.300 0.377 0.000 0.039 0.000 3/30240 960.0 0.360 0.297 0.373 0.000 0.039 0.000 3/30240 970.0 0.356 0.294 0.369 0.000 0.039 0.000 3/30240 980.0 0.353 0.291 0.366 0.000 0.038 0.000 3/30240 990.0 0.350 0.289 0.362 0.000 0.038 0.000 3/30240 1000.0 0.346 0.286 0.359 0.000 0.038 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m765.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:37:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|