----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:35:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 4 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.742988032053688 0.000000000000000 0.000000000000000 b 0.000000000000000 11.579250839999998 0.000000000000000 c -3.014386200346957 0.000000000000000 12.462826040498893 Atomic positions (fractional): *1 B 0.03023770841030 0.77951881529699 0.59424707870813 10.811 2 B 0.96976229158970 0.27951881529699 0.90575292129187 10.811 3 B 0.96976229158970 0.22048118470301 0.40575292129187 10.811 4 B 0.03023770841030 0.72048118470301 0.09424707870813 10.811 *5 B 0.23807933634236 0.77493502738755 0.79691669897143 10.811 6 B 0.76192066365764 0.27493502738754 0.70308330102857 10.811 7 B 0.76192066365764 0.22506497261246 0.20308330102857 10.811 8 B 0.23807933634236 0.72506497261245 0.29691669897143 10.811 *9 B 0.48667700647682 0.77696898101663 0.90348057811537 10.811 10 B 0.51332299352318 0.27696898101663 0.59651942188463 10.811 11 B 0.51332299352318 0.22303101898337 0.09651942188463 10.811 12 B 0.48667700647682 0.72303101898337 0.40348057811537 10.811 *13 B 0.78281639504271 0.71814829663909 0.98290855109890 10.811 14 B 0.21718360495729 0.21814829663909 0.51709144890110 10.811 15 B 0.21718360495729 0.28185170336090 0.01709144890110 10.811 16 B 0.78281639504271 0.78185170336091 0.48290855109890 10.811 *17 Se 0.96202975673960 0.65339919586713 0.67193561149348 78.960 18 Se 0.03797024326040 0.15339919586713 0.82806438850652 78.960 19 Se 0.03797024326040 0.34660080413287 0.32806438850652 78.960 20 Se 0.96202975673960 0.84660080413287 0.17193561149348 78.960 *21 Se 0.10590714006876 0.68214165299792 0.50054704630033 78.960 22 Se 0.89409285993124 0.18214165299792 0.99945295369967 78.960 23 Se 0.89409285993124 0.31785834700208 0.49945295369967 78.960 24 Se 0.10590714006876 0.81785834700208 0.00054704630033 78.960 *25 Se 0.13269036156382 0.88556933333933 0.69982202426018 78.960 26 Se 0.86730963843618 0.38556933333934 0.80017797573982 78.960 27 Se 0.86730963843618 0.11443066666066 0.30017797573982 78.960 28 Se 0.13269036156382 0.61443066666067 0.19982202426018 78.960 *29 Se 0.16526949110912 0.67442727386178 0.89118070230265 78.960 30 Se 0.83473050889088 0.17442727386178 0.60881929769735 78.960 31 Se 0.83473050889088 0.32557272613822 0.10881929769735 78.960 32 Se 0.16526949110912 0.82557272613822 0.39118070230265 78.960 *33 Se 0.29573873529372 0.64586255626394 0.71149315956884 78.960 34 Se 0.70426126470628 0.14586255626394 0.78850684043116 78.960 35 Se 0.70426126470628 0.35413744373606 0.28850684043116 78.960 36 Se 0.29573873529372 0.85413744373606 0.21149315956884 78.960 *37 Se 0.35664397516652 0.88588431692899 0.87570932350474 78.960 38 Se 0.64335602483348 0.38588431692899 0.62429067649526 78.960 39 Se 0.64335602483348 0.11411568307101 0.12429067649526 78.960 40 Se 0.35664397516652 0.61411568307101 0.37570932350474 78.960 *41 Se 0.44268136756547 0.61081127639330 0.86638932237277 78.960 42 Se 0.55731863243453 0.11081127639330 0.63361067762723 78.960 43 Se 0.55731863243453 0.38918872360670 0.13361067762723 78.960 44 Se 0.44268136756547 0.88918872360670 0.36638932237277 78.960 *45 Se 0.54578603395461 0.77587265223213 0.06499981394056 78.960 46 Se 0.45421396604539 0.27587265223212 0.43500018605944 78.960 47 Se 0.45421396604539 0.22412734776787 0.93500018605944 78.960 48 Se 0.54578603395461 0.72412734776787 0.56499981394056 78.960 *49 Se 0.58476556458757 0.85157906326449 0.81761016681899 78.960 50 Se 0.41523443541243 0.35157906326449 0.68238983318101 78.960 51 Se 0.41523443541243 0.14842093673551 0.18238983318101 78.960 52 Se 0.58476556458757 0.64842093673551 0.31761016681899 78.960 *53 Se 0.71829882341693 0.70409020620714 0.82197076178765 78.960 54 Se 0.28170117658307 0.20409020620714 0.67802923821235 78.960 55 Se 0.28170117658307 0.29590979379286 0.17802923821236 78.960 56 Se 0.71829882341693 0.79590979379286 0.32197076178764 78.960 *57 Se 0.68959476378938 0.63883424576248 0.07208256932157 78.960 58 Se 0.31040523621062 0.13883424576248 0.42791743067843 78.960 59 Se 0.31040523621062 0.36116575423752 0.92791743067843 78.960 60 Se 0.68959476378938 0.86116575423752 0.57208256932157 78.960 *61 Se 0.91331702129754 0.60969854533157 0.01455573981104 78.960 62 Se 0.08668297870246 0.10969854533157 0.48544426018896 78.960 63 Se 0.08668297870246 0.39030145466843 0.98544426018896 78.960 64 Se 0.91331702129754 0.89030145466843 0.51455573981104 78.960 *65 Se 0.81384324154333 0.88699848444739 0.02077060717599 78.960 66 Se 0.18615675845667 0.38699848444739 0.47922939282401 78.960 67 Se 0.18615675845667 0.11300151555261 0.97922939282401 78.960 68 Se 0.81384324154333 0.61300151555261 0.52077060717599 78.960 *69 Ba 0.36327552325421 0.91209427628816 0.60936472127896 137.327 70 Ba 0.63672447674579 0.41209427628816 0.89063527872104 137.327 71 Ba 0.63672447674579 0.08790572371184 0.39063527872104 137.327 72 Ba 0.36327552325421 0.58790572371184 0.10936472127896 137.327 *73 Ba 0.89717245089447 0.90177788280369 0.78676234281993 137.327 74 Ba 0.10282754910553 0.40177788280369 0.71323765718007 137.327 75 Ba 0.10282754910553 0.09822211719631 0.21323765718007 137.327 76 Ba 0.89717245089447 0.59822211719631 0.28676234281993 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.742988032053688 0.000000000000000 0.000000000000000 b 0.000000000000000 11.579250839999998 0.000000000000000 c -3.014386200346957 0.000000000000000 12.462826040498893 Atomic positions (fractional): *1 B 0.03023770841030 0.77951881529699 0.59424707870813 10.811 > 1 2 B 0.96976229158970 0.27951881529699 0.90575292129187 10.811 > 2 3 B 0.96976229158970 0.22048118470301 0.40575292129187 10.811 > 3 4 B 0.03023770841030 0.72048118470301 0.09424707870813 10.811 > 4 *5 B 0.23807933634236 0.77493502738755 0.79691669897143 10.811 > 5 6 B 0.76192066365764 0.27493502738754 0.70308330102857 10.811 > 6 7 B 0.76192066365764 0.22506497261246 0.20308330102857 10.811 > 7 8 B 0.23807933634236 0.72506497261245 0.29691669897143 10.811 > 8 *9 B 0.48667700647682 0.77696898101663 0.90348057811537 10.811 > 9 10 B 0.51332299352318 0.27696898101663 0.59651942188463 10.811 > 10 11 B 0.51332299352318 0.22303101898337 0.09651942188463 10.811 > 11 12 B 0.48667700647682 0.72303101898337 0.40348057811537 10.811 > 12 *13 B 0.78281639504271 0.71814829663909 0.98290855109890 10.811 > 13 14 B 0.21718360495729 0.21814829663909 0.51709144890110 10.811 > 14 15 B 0.21718360495729 0.28185170336090 0.01709144890110 10.811 > 15 16 B 0.78281639504271 0.78185170336091 0.48290855109890 10.811 > 16 *17 Se 0.96202975673960 0.65339919586713 0.67193561149348 78.960 > 17 18 Se 0.03797024326040 0.15339919586713 0.82806438850652 78.960 > 18 19 Se 0.03797024326040 0.34660080413287 0.32806438850652 78.960 > 19 20 Se 0.96202975673960 0.84660080413287 0.17193561149348 78.960 > 20 *21 Se 0.10590714006876 0.68214165299792 0.50054704630033 78.960 > 21 22 Se 0.89409285993124 0.18214165299792 0.99945295369967 78.960 > 22 23 Se 0.89409285993124 0.31785834700208 0.49945295369967 78.960 > 23 24 Se 0.10590714006876 0.81785834700208 0.00054704630033 78.960 > 24 *25 Se 0.13269036156382 0.88556933333933 0.69982202426018 78.960 > 25 26 Se 0.86730963843618 0.38556933333934 0.80017797573982 78.960 > 26 27 Se 0.86730963843618 0.11443066666066 0.30017797573982 78.960 > 27 28 Se 0.13269036156382 0.61443066666067 0.19982202426018 78.960 > 28 *29 Se 0.16526949110912 0.67442727386178 0.89118070230265 78.960 > 29 30 Se 0.83473050889088 0.17442727386178 0.60881929769735 78.960 > 30 31 Se 0.83473050889088 0.32557272613822 0.10881929769735 78.960 > 31 32 Se 0.16526949110912 0.82557272613822 0.39118070230265 78.960 > 32 *33 Se 0.29573873529372 0.64586255626394 0.71149315956884 78.960 > 33 34 Se 0.70426126470628 0.14586255626394 0.78850684043116 78.960 > 34 35 Se 0.70426126470628 0.35413744373606 0.28850684043116 78.960 > 35 36 Se 0.29573873529372 0.85413744373606 0.21149315956884 78.960 > 36 *37 Se 0.35664397516652 0.88588431692899 0.87570932350474 78.960 > 37 38 Se 0.64335602483348 0.38588431692899 0.62429067649526 78.960 > 38 39 Se 0.64335602483348 0.11411568307101 0.12429067649526 78.960 > 39 40 Se 0.35664397516652 0.61411568307101 0.37570932350474 78.960 > 40 *41 Se 0.44268136756547 0.61081127639330 0.86638932237277 78.960 > 41 42 Se 0.55731863243453 0.11081127639330 0.63361067762723 78.960 > 42 43 Se 0.55731863243453 0.38918872360670 0.13361067762723 78.960 > 43 44 Se 0.44268136756547 0.88918872360670 0.36638932237277 78.960 > 44 *45 Se 0.54578603395461 0.77587265223213 0.06499981394056 78.960 > 45 46 Se 0.45421396604539 0.27587265223212 0.43500018605944 78.960 > 46 47 Se 0.45421396604539 0.22412734776787 0.93500018605944 78.960 > 47 48 Se 0.54578603395461 0.72412734776787 0.56499981394056 78.960 > 48 *49 Se 0.58476556458757 0.85157906326449 0.81761016681899 78.960 > 49 50 Se 0.41523443541243 0.35157906326449 0.68238983318101 78.960 > 50 51 Se 0.41523443541243 0.14842093673551 0.18238983318101 78.960 > 51 52 Se 0.58476556458757 0.64842093673551 0.31761016681899 78.960 > 52 *53 Se 0.71829882341693 0.70409020620714 0.82197076178765 78.960 > 53 54 Se 0.28170117658307 0.20409020620714 0.67802923821235 78.960 > 54 55 Se 0.28170117658307 0.29590979379286 0.17802923821236 78.960 > 55 56 Se 0.71829882341693 0.79590979379286 0.32197076178764 78.960 > 56 *57 Se 0.68959476378938 0.63883424576248 0.07208256932157 78.960 > 57 58 Se 0.31040523621062 0.13883424576248 0.42791743067843 78.960 > 58 59 Se 0.31040523621062 0.36116575423752 0.92791743067843 78.960 > 59 60 Se 0.68959476378938 0.86116575423752 0.57208256932157 78.960 > 60 *61 Se 0.91331702129754 0.60969854533157 0.01455573981104 78.960 > 61 62 Se 0.08668297870246 0.10969854533157 0.48544426018896 78.960 > 62 63 Se 0.08668297870246 0.39030145466843 0.98544426018896 78.960 > 63 64 Se 0.91331702129754 0.89030145466843 0.51455573981104 78.960 > 64 *65 Se 0.81384324154333 0.88699848444739 0.02077060717599 78.960 > 65 66 Se 0.18615675845667 0.38699848444739 0.47922939282401 78.960 > 66 67 Se 0.18615675845667 0.11300151555261 0.97922939282401 78.960 > 67 68 Se 0.81384324154333 0.61300151555261 0.52077060717599 78.960 > 68 *69 Ba 0.36327552325421 0.91209427628816 0.60936472127896 137.327 > 69 70 Ba 0.63672447674579 0.41209427628816 0.89063527872104 137.327 > 70 71 Ba 0.63672447674579 0.08790572371184 0.39063527872104 137.327 > 71 72 Ba 0.36327552325421 0.58790572371184 0.10936472127896 137.327 > 72 *73 Ba 0.89717245089447 0.90177788280369 0.78676234281993 137.327 > 73 74 Ba 0.10282754910553 0.40177788280369 0.71323765718007 137.327 > 74 75 Ba 0.10282754910553 0.09822211719631 0.21323765718007 137.327 > 75 76 Ba 0.89717245089447 0.59822211719631 0.28676234281993 137.327 > 76 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.742988032053688 0.000000000000000 0.000000000000000 b 0.000000000000000 11.579250839999998 0.000000000000000 c -3.014386200346957 0.000000000000000 12.462826040498893 Atomic positions (fractional): *1 B 0.03023770841030 0.77951881529699 0.59424707870813 10.811 > 1 2 B 0.96976229158970 0.27951881529699 0.90575292129187 10.811 > 2 3 B 0.96976229158970 0.22048118470301 0.40575292129187 10.811 > 3 4 B 0.03023770841030 0.72048118470301 0.09424707870813 10.811 > 4 *5 B 0.23807933634236 0.77493502738755 0.79691669897143 10.811 > 5 6 B 0.76192066365764 0.27493502738754 0.70308330102857 10.811 > 6 7 B 0.76192066365764 0.22506497261246 0.20308330102857 10.811 > 7 8 B 0.23807933634236 0.72506497261245 0.29691669897143 10.811 > 8 *9 B 0.48667700647682 0.77696898101663 0.90348057811537 10.811 > 9 10 B 0.51332299352318 0.27696898101663 0.59651942188463 10.811 > 10 11 B 0.51332299352318 0.22303101898337 0.09651942188463 10.811 > 11 12 B 0.48667700647682 0.72303101898337 0.40348057811537 10.811 > 12 *13 B 0.78281639504271 0.71814829663909 0.98290855109890 10.811 > 13 14 B 0.21718360495729 0.21814829663909 0.51709144890110 10.811 > 14 15 B 0.21718360495729 0.28185170336090 0.01709144890110 10.811 > 15 16 B 0.78281639504271 0.78185170336091 0.48290855109890 10.811 > 16 *17 Se 0.96202975673960 0.65339919586713 0.67193561149348 78.960 > 17 18 Se 0.03797024326040 0.15339919586713 0.82806438850652 78.960 > 18 19 Se 0.03797024326040 0.34660080413287 0.32806438850652 78.960 > 19 20 Se 0.96202975673960 0.84660080413287 0.17193561149348 78.960 > 20 *21 Se 0.10590714006876 0.68214165299792 0.50054704630033 78.960 > 21 22 Se 0.89409285993124 0.18214165299792 0.99945295369967 78.960 > 22 23 Se 0.89409285993124 0.31785834700208 0.49945295369967 78.960 > 23 24 Se 0.10590714006876 0.81785834700208 0.00054704630033 78.960 > 24 *25 Se 0.13269036156382 0.88556933333933 0.69982202426018 78.960 > 25 26 Se 0.86730963843618 0.38556933333934 0.80017797573982 78.960 > 26 27 Se 0.86730963843618 0.11443066666066 0.30017797573982 78.960 > 27 28 Se 0.13269036156382 0.61443066666067 0.19982202426018 78.960 > 28 *29 Se 0.16526949110912 0.67442727386178 0.89118070230265 78.960 > 29 30 Se 0.83473050889088 0.17442727386178 0.60881929769735 78.960 > 30 31 Se 0.83473050889088 0.32557272613822 0.10881929769735 78.960 > 31 32 Se 0.16526949110912 0.82557272613822 0.39118070230265 78.960 > 32 *33 Se 0.29573873529372 0.64586255626394 0.71149315956884 78.960 > 33 34 Se 0.70426126470628 0.14586255626394 0.78850684043116 78.960 > 34 35 Se 0.70426126470628 0.35413744373606 0.28850684043116 78.960 > 35 36 Se 0.29573873529372 0.85413744373606 0.21149315956884 78.960 > 36 *37 Se 0.35664397516652 0.88588431692899 0.87570932350474 78.960 > 37 38 Se 0.64335602483348 0.38588431692899 0.62429067649526 78.960 > 38 39 Se 0.64335602483348 0.11411568307101 0.12429067649526 78.960 > 39 40 Se 0.35664397516652 0.61411568307101 0.37570932350474 78.960 > 40 *41 Se 0.44268136756547 0.61081127639330 0.86638932237277 78.960 > 41 42 Se 0.55731863243453 0.11081127639330 0.63361067762723 78.960 > 42 43 Se 0.55731863243453 0.38918872360670 0.13361067762723 78.960 > 43 44 Se 0.44268136756547 0.88918872360670 0.36638932237277 78.960 > 44 *45 Se 0.54578603395461 0.77587265223213 0.06499981394056 78.960 > 45 46 Se 0.45421396604539 0.27587265223212 0.43500018605944 78.960 > 46 47 Se 0.45421396604539 0.22412734776787 0.93500018605944 78.960 > 47 48 Se 0.54578603395461 0.72412734776787 0.56499981394056 78.960 > 48 *49 Se 0.58476556458757 0.85157906326449 0.81761016681899 78.960 > 49 50 Se 0.41523443541243 0.35157906326449 0.68238983318101 78.960 > 50 51 Se 0.41523443541243 0.14842093673551 0.18238983318101 78.960 > 51 52 Se 0.58476556458757 0.64842093673551 0.31761016681899 78.960 > 52 *53 Se 0.71829882341693 0.70409020620714 0.82197076178765 78.960 > 53 54 Se 0.28170117658307 0.20409020620714 0.67802923821235 78.960 > 54 55 Se 0.28170117658307 0.29590979379286 0.17802923821236 78.960 > 55 56 Se 0.71829882341693 0.79590979379286 0.32197076178764 78.960 > 56 *57 Se 0.68959476378938 0.63883424576248 0.07208256932157 78.960 > 57 58 Se 0.31040523621062 0.13883424576248 0.42791743067843 78.960 > 58 59 Se 0.31040523621062 0.36116575423752 0.92791743067843 78.960 > 59 60 Se 0.68959476378938 0.86116575423752 0.57208256932157 78.960 > 60 *61 Se 0.91331702129754 0.60969854533157 0.01455573981104 78.960 > 61 62 Se 0.08668297870246 0.10969854533157 0.48544426018896 78.960 > 62 63 Se 0.08668297870246 0.39030145466843 0.98544426018896 78.960 > 63 64 Se 0.91331702129754 0.89030145466843 0.51455573981104 78.960 > 64 *65 Se 0.81384324154333 0.88699848444739 0.02077060717599 78.960 > 65 66 Se 0.18615675845667 0.38699848444739 0.47922939282401 78.960 > 66 67 Se 0.18615675845667 0.11300151555261 0.97922939282401 78.960 > 67 68 Se 0.81384324154333 0.61300151555261 0.52077060717599 78.960 > 68 *69 Ba 0.36327552325421 0.91209427628816 0.60936472127896 137.327 > 69 70 Ba 0.63672447674579 0.41209427628816 0.89063527872104 137.327 > 70 71 Ba 0.63672447674579 0.08790572371184 0.39063527872104 137.327 > 71 72 Ba 0.36327552325421 0.58790572371184 0.10936472127896 137.327 > 72 *73 Ba 0.89717245089447 0.90177788280369 0.78676234281993 137.327 > 73 74 Ba 0.10282754910553 0.40177788280369 0.71323765718007 137.327 > 74 75 Ba 0.10282754910553 0.09822211719631 0.21323765718007 137.327 > 75 76 Ba 0.89717245089447 0.59822211719631 0.28676234281993 137.327 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.4501777 0.0000000 1.2358608 0.0000000 5.7453869 0.0000000 1.2358567 0.0000000 8.0412455 -------------------------- Born effective charges -------------------------- 1 B 1.6466539 -0.8547350 0.3860887 -0.1631185 0.6435171 0.1225756 0.3179638 0.5560467 0.8767195 2 B 1.6466539 0.8547350 0.3860887 0.1631185 0.6435171 -0.1225756 0.3179638 -0.5560467 0.8767195 3 B 1.6466539 -0.8547350 0.3860887 -0.1631185 0.6435171 0.1225756 0.3179638 0.5560467 0.8767195 4 B 1.6466539 0.8547350 0.3860887 0.1631185 0.6435171 -0.1225756 0.3179638 -0.5560467 0.8767195 5 B 1.5435170 0.8426621 0.3645698 -0.0326635 0.5335304 -0.1702350 0.2178713 -0.6318156 0.9397261 6 B 1.5435170 -0.8426621 0.3645698 0.0326635 0.5335304 0.1702350 0.2178713 0.6318156 0.9397261 7 B 1.5435170 0.8426621 0.3645698 -0.0326635 0.5335304 -0.1702350 0.2178713 -0.6318156 0.9397261 8 B 1.5435170 -0.8426621 0.3645698 0.0326635 0.5335304 0.1702350 0.2178713 0.6318156 0.9397261 9 B 1.1235724 0.8916434 -0.3452175 0.4145311 0.6428468 -0.2116452 -0.0145156 0.0044634 0.7457648 10 B 1.1235724 -0.8916434 -0.3452175 -0.4145311 0.6428468 0.2116452 -0.0145156 -0.0044634 0.7457648 11 B 1.1235724 0.8916434 -0.3452175 0.4145311 0.6428468 -0.2116452 -0.0145156 0.0044634 0.7457648 12 B 1.1235724 -0.8916434 -0.3452175 -0.4145311 0.6428468 0.2116452 -0.0145156 -0.0044634 0.7457648 13 B 1.0043099 0.8517369 -0.0853765 0.2497187 0.6060891 -0.3334496 0.0280308 0.0564690 1.0047977 14 B 1.0043099 -0.8517369 -0.0853765 -0.2497187 0.6060891 0.3334496 0.0280308 -0.0564690 1.0047977 15 B 1.0043099 0.8517369 -0.0853765 0.2497187 0.6060891 -0.3334496 0.0280308 0.0564690 1.0047977 16 B 1.0043099 -0.8517369 -0.0853765 -0.2497187 0.6060891 0.3334496 0.0280308 -0.0564690 1.0047977 17 Se -0.6486594 0.3735122 1.1140113 0.2716044 -0.8194908 0.1900835 1.0894370 -0.2516279 0.3237007 18 Se -0.6486594 -0.3735122 1.1140113 -0.2716044 -0.8194908 -0.1900835 1.0894370 0.2516279 0.3237007 19 Se -0.6486594 0.3735122 1.1140113 0.2716044 -0.8194908 0.1900835 1.0894370 -0.2516279 0.3237007 20 Se -0.6486594 -0.3735122 1.1140113 -0.2716044 -0.8194908 -0.1900835 1.0894370 0.2516279 0.3237007 21 Se -0.8361842 0.2935471 -0.9684313 0.2116638 -0.3968387 -0.2332632 -0.9330401 -0.4794963 -1.4897649 22 Se -0.8361842 -0.2935471 -0.9684313 -0.2116638 -0.3968387 0.2332632 -0.9330401 0.4794963 -1.4897649 23 Se -0.8361842 0.2935471 -0.9684313 0.2116638 -0.3968387 -0.2332632 -0.9330401 -0.4794963 -1.4897649 24 Se -0.8361842 -0.2935471 -0.9684313 -0.2116638 -0.3968387 0.2332632 -0.9330401 0.4794963 -1.4897649 25 Se -1.5181019 -0.0493504 -0.0667163 0.0148830 -0.6561084 -0.0199657 -0.1928706 -0.0366092 -1.1567864 26 Se -1.5181019 0.0493504 -0.0667163 -0.0148830 -0.6561084 0.0199657 -0.1928706 0.0366092 -1.1567864 27 Se -1.5181019 -0.0493504 -0.0667163 0.0148830 -0.6561084 -0.0199657 -0.1928706 -0.0366092 -1.1567864 28 Se -1.5181019 0.0493504 -0.0667163 -0.0148830 -0.6561084 0.0199657 -0.1928706 0.0366092 -1.1567864 29 Se -0.6381567 -0.4198615 -0.9976645 -0.1130315 -0.5979237 0.2523435 -0.8648494 0.3764044 -1.1310844 30 Se -0.6381567 0.4198615 -0.9976645 0.1130315 -0.5979237 -0.2523435 -0.8648494 -0.3764044 -1.1310844 31 Se -0.6381567 -0.4198615 -0.9976645 -0.1130315 -0.5979237 0.2523435 -0.8648494 0.3764044 -1.1310844 32 Se -0.6381567 0.4198615 -0.9976645 0.1130315 -0.5979237 -0.2523435 -0.8648494 -0.3764044 -1.1310844 33 Se -0.4567931 -0.5215199 1.6228854 -0.4869697 -0.6535039 -0.4953793 1.7038243 0.1220279 0.8025834 34 Se -0.4567931 0.5215199 1.6228854 0.4869697 -0.6535039 0.4953793 1.7038243 -0.1220279 0.8025834 35 Se -0.4567931 -0.5215199 1.6228854 -0.4869697 -0.6535039 -0.4953793 1.7038243 0.1220279 0.8025834 36 Se -0.4567931 0.5215199 1.6228854 0.4869697 -0.6535039 0.4953793 1.7038243 -0.1220279 0.8025834 37 Se -1.8756877 -0.3127953 -0.5740183 -0.0809254 -0.3865238 0.1709644 -0.3299618 0.2110737 -0.9593813 38 Se -1.8756877 0.3127953 -0.5740183 0.0809254 -0.3865238 -0.1709644 -0.3299618 -0.2110737 -0.9593813 39 Se -1.8756877 -0.3127953 -0.5740183 -0.0809254 -0.3865238 0.1709644 -0.3299618 0.2110737 -0.9593813 40 Se -1.8756877 0.3127953 -0.5740183 0.0809254 -0.3865238 -0.1709644 -0.3299618 -0.2110737 -0.9593813 41 Se -0.8028326 0.0357241 -0.0933644 0.3879528 -0.9116102 0.3029172 -0.6261674 0.3900903 -0.8585613 42 Se -0.8028326 -0.0357241 -0.0933644 -0.3879528 -0.9116102 -0.3029172 -0.6261674 -0.3900903 -0.8585613 43 Se -0.8028326 0.0357241 -0.0933644 0.3879528 -0.9116102 0.3029172 -0.6261674 0.3900903 -0.8585613 44 Se -0.8028326 -0.0357241 -0.0933644 -0.3879528 -0.9116102 -0.3029172 -0.6261674 -0.3900903 -0.8585613 45 Se -0.9343559 -0.3771042 0.1710519 -0.2889944 -0.3433180 -0.0055239 0.1564891 -0.3373002 -0.6873036 46 Se -0.9343559 0.3771042 0.1710519 0.2889944 -0.3433180 0.0055239 0.1564891 0.3373002 -0.6873036 47 Se -0.9343559 -0.3771042 0.1710519 -0.2889944 -0.3433180 -0.0055239 0.1564891 -0.3373002 -0.6873036 48 Se -0.9343559 0.3771042 0.1710519 0.2889944 -0.3433180 0.0055239 0.1564891 0.3373002 -0.6873036 49 Se -0.4239068 -0.5401259 -0.5025038 -0.2169136 -0.4911143 0.2761453 -0.2832632 0.2433960 -1.3550894 50 Se -0.4239068 0.5401259 -0.5025038 0.2169136 -0.4911143 -0.2761453 -0.2832632 -0.2433960 -1.3550894 51 Se -0.4239068 -0.5401259 -0.5025038 -0.2169136 -0.4911143 0.2761453 -0.2832632 0.2433960 -1.3550894 52 Se -0.4239068 0.5401259 -0.5025038 0.2169136 -0.4911143 -0.2761453 -0.2832632 -0.2433960 -1.3550894 53 Se -0.9428996 -0.1709671 0.2045796 -0.3868546 -0.5746836 0.1670280 0.0802912 0.0481375 -0.5238065 54 Se -0.9428996 0.1709671 0.2045796 0.3868546 -0.5746836 -0.1670280 0.0802912 -0.0481375 -0.5238065 55 Se -0.9428996 -0.1709671 0.2045796 -0.3868546 -0.5746836 0.1670280 0.0802912 0.0481375 -0.5238065 56 Se -0.9428996 0.1709671 0.2045796 0.3868546 -0.5746836 -0.1670280 0.0802912 -0.0481375 -0.5238065 57 Se 0.1669642 -0.4458812 -0.3636712 -0.2507523 -0.6278874 0.2447058 -0.1236780 0.1387798 -1.3424947 58 Se 0.1669642 0.4458812 -0.3636712 0.2507523 -0.6278874 -0.2447058 -0.1236780 -0.1387798 -1.3424947 59 Se 0.1669642 -0.4458812 -0.3636712 -0.2507523 -0.6278874 0.2447058 -0.1236780 0.1387798 -1.3424947 60 Se 0.1669642 0.4458812 -0.3636712 0.2507523 -0.6278874 -0.2447058 -0.1236780 -0.1387798 -1.3424947 61 Se -2.0494494 -0.4401064 -0.5612296 -0.2529462 -0.5717642 0.0054270 -0.4611491 0.0706271 -0.9051688 62 Se -2.0494494 0.4401064 -0.5612296 0.2529462 -0.5717642 -0.0054270 -0.4611491 -0.0706271 -0.9051688 63 Se -2.0494494 -0.4401064 -0.5612296 -0.2529462 -0.5717642 0.0054270 -0.4611491 0.0706271 -0.9051688 64 Se -2.0494494 0.4401064 -0.5612296 0.2529462 -0.5717642 -0.0054270 -0.4611491 -0.0706271 -0.9051688 65 Se -0.0648419 -0.5016973 0.2531575 -0.0973946 -0.7328633 0.0679196 0.2482414 -0.1619668 -0.6298092 66 Se -0.0648419 0.5016973 0.2531575 0.0973946 -0.7328633 -0.0679196 0.2482414 0.1619668 -0.6298092 67 Se -0.0648419 -0.5016973 0.2531575 -0.0973946 -0.7328633 0.0679196 0.2482414 -0.1619668 -0.6298092 68 Se -0.0648419 0.5016973 0.2531575 0.0973946 -0.7328633 -0.0679196 0.2482414 0.1619668 -0.6298092 69 Ba 2.8535957 0.0811758 0.2298687 0.1207878 2.6469350 -0.4792608 -0.0190090 -0.0854407 3.0569682 70 Ba 2.8535957 -0.0811758 0.2298687 -0.1207878 2.6469350 0.4792608 -0.0190090 0.0854407 3.0569682 71 Ba 2.8535957 0.0811758 0.2298687 0.1207878 2.6469350 -0.4792608 -0.0190090 -0.0854407 3.0569682 72 Ba 2.8535957 -0.0811758 0.2298687 -0.1207878 2.6469350 0.4792608 -0.0190090 0.0854407 3.0569682 73 Ba 2.8532561 0.0640186 0.2119803 0.0998376 2.6907117 0.0307643 0.0063552 0.0379340 3.2889901 74 Ba 2.8532561 -0.0640186 0.2119803 -0.0998376 2.6907117 -0.0307643 0.0063552 -0.0379340 3.2889901 75 Ba 2.8532561 0.0640186 0.2119803 0.0998376 2.6907117 0.0307643 0.0063552 0.0379340 3.2889901 76 Ba 2.8532561 -0.0640186 0.2119803 -0.0998376 2.6907117 -0.0307643 0.0063552 -0.0379340 3.2889901 ---------------------------------------------------------------------------- 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: 228/228 Permutation basis: 25878/25878 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6612 Number of blocks in projector: 6612 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: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 212 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1444 / 1444 (1) 406 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 212 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1444 / 1444 (1) 406 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 213 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 463 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1444 / 1444 (1) 423 eigenvectors found. (1) Complementary block size: 89 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. Tree of FC basis block matrices: - (6612, 6442), data: False |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (1444, 1407), data: False |-- (1444, 52), data: (1444, 89) @ (89, 52) |-- (444, 423), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 463), data: False |-- (500, 35), data: (500, 72) @ (72, 35) |-- (250, 215), data: True |-- (250, 213), data: True |-- (1444, 1406), data: False |-- (1444, 70), data: (1444, 108) @ (108, 70) |-- (444, 406), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 462), data: False |-- (500, 36), data: (500, 74) @ (74, 36) |-- (250, 214), data: True |-- (250, 212), data: True |-- (1444, 1406), data: False |-- (1444, 70), data: (1444, 108) @ (108, 70) |-- (444, 406), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 462), data: False |-- (500, 36), data: (500, 74) @ (74, 36) |-- (250, 214), data: True |-- (250, 212), data: True ----- Solver_atoms: 1 -- 76 / 76 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 2320 - Time: 1.229 Solver_block: 200 / 2320 - Time: 1.000 Solver_block: 300 / 2320 - Time: 0.996 Solver_block: 400 / 2320 - Time: 0.995 Solver_block: 500 / 2320 - Time: 0.995 Solver_block: 600 / 2320 - Time: 0.997 Solver_block: 700 / 2320 - Time: 0.997 Solver_block: 800 / 2320 - Time: 0.997 Solver_block: 900 / 2320 - Time: 0.996 Solver_block: 1000 / 2320 - Time: 1.001 Solver_block: 1100 / 2320 - Time: 1.001 Solver_block: 1200 / 2320 - Time: 1.000 Solver_block: 1300 / 2320 - Time: 1.000 Solver_block: 1400 / 2320 - Time: 0.999 Solver_block: 1500 / 2320 - Time: 1.000 Solver_block: 1600 / 2320 - Time: 1.001 Solver_block: 1700 / 2320 - Time: 1.001 Solver_block: 1800 / 2320 - Time: 1.003 Solver_block: 1900 / 2320 - Time: 1.002 Solver_block: 2000 / 2320 - Time: 1.002 Solver_block: 2100 / 2320 - Time: 1.007 Solver_block: 2200 / 2320 - Time: 1.002 Solver_block: 2300 / 2320 - Time: 1.003 Solver_block: 2320 / 2320 - Time: 0.354 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 24.216 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 228/228 Permutation basis: 25878/25878 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6612 Number of blocks in projector: 6612 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: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 212 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1444 / 1444 (1) 406 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 212 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1444 / 1444 (1) 406 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 213 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 463 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1444 / 1444 (1) 423 eigenvectors found. (1) Complementary block size: 89 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. Tree of FC basis block matrices: - (6612, 6442), data: False |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (1444, 1407), data: False |-- (1444, 52), data: (1444, 89) @ (89, 52) |-- (444, 423), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 463), data: False |-- (500, 35), data: (500, 72) @ (72, 35) |-- (250, 215), data: True |-- (250, 213), data: True |-- (1444, 1406), data: False |-- (1444, 70), data: (1444, 108) @ (108, 70) |-- (444, 406), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 462), data: False |-- (500, 36), data: (500, 74) @ (74, 36) |-- (250, 214), data: True |-- (250, 212), data: True |-- (1444, 1406), data: False |-- (1444, 70), data: (1444, 108) @ (108, 70) |-- (444, 406), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 462), data: False |-- (500, 36), data: (500, 74) @ (74, 36) |-- (250, 214), data: True |-- (250, 212), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:36:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:36:51]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.742988032053688 0.000000000000000 0.000000000000000 b 0.000000000000000 11.579250839999998 0.000000000000000 c -3.014386200346957 0.000000000000000 12.462826040498893 Atomic positions (fractional): 1 B 0.03023770841030 0.77951881529699 0.59424707870813 10.811 2 B 0.96976229158970 0.27951881529699 0.90575292129187 10.811 3 B 0.96976229158970 0.22048118470301 0.40575292129187 10.811 4 B 0.03023770841030 0.72048118470301 0.09424707870813 10.811 5 B 0.23807933634236 0.77493502738755 0.79691669897143 10.811 6 B 0.76192066365764 0.27493502738754 0.70308330102857 10.811 7 B 0.76192066365764 0.22506497261246 0.20308330102857 10.811 8 B 0.23807933634236 0.72506497261245 0.29691669897143 10.811 9 B 0.48667700647682 0.77696898101663 0.90348057811537 10.811 10 B 0.51332299352318 0.27696898101663 0.59651942188463 10.811 11 B 0.51332299352318 0.22303101898337 0.09651942188463 10.811 12 B 0.48667700647682 0.72303101898337 0.40348057811537 10.811 13 B 0.78281639504271 0.71814829663909 0.98290855109890 10.811 14 B 0.21718360495729 0.21814829663909 0.51709144890110 10.811 15 B 0.21718360495729 0.28185170336090 0.01709144890110 10.811 16 B 0.78281639504271 0.78185170336091 0.48290855109890 10.811 17 Se 0.96202975673960 0.65339919586713 0.67193561149348 78.960 18 Se 0.03797024326040 0.15339919586713 0.82806438850652 78.960 19 Se 0.03797024326040 0.34660080413287 0.32806438850652 78.960 20 Se 0.96202975673960 0.84660080413287 0.17193561149348 78.960 21 Se 0.10590714006876 0.68214165299792 0.50054704630033 78.960 22 Se 0.89409285993124 0.18214165299792 0.99945295369967 78.960 23 Se 0.89409285993124 0.31785834700208 0.49945295369967 78.960 24 Se 0.10590714006876 0.81785834700208 0.00054704630033 78.960 25 Se 0.13269036156382 0.88556933333933 0.69982202426018 78.960 26 Se 0.86730963843618 0.38556933333934 0.80017797573982 78.960 27 Se 0.86730963843618 0.11443066666066 0.30017797573982 78.960 28 Se 0.13269036156382 0.61443066666067 0.19982202426018 78.960 29 Se 0.16526949110912 0.67442727386178 0.89118070230265 78.960 30 Se 0.83473050889088 0.17442727386178 0.60881929769735 78.960 31 Se 0.83473050889088 0.32557272613822 0.10881929769735 78.960 32 Se 0.16526949110912 0.82557272613822 0.39118070230265 78.960 33 Se 0.29573873529372 0.64586255626394 0.71149315956884 78.960 34 Se 0.70426126470628 0.14586255626394 0.78850684043116 78.960 35 Se 0.70426126470628 0.35413744373606 0.28850684043116 78.960 36 Se 0.29573873529372 0.85413744373606 0.21149315956884 78.960 37 Se 0.35664397516652 0.88588431692899 0.87570932350474 78.960 38 Se 0.64335602483348 0.38588431692899 0.62429067649526 78.960 39 Se 0.64335602483348 0.11411568307101 0.12429067649526 78.960 40 Se 0.35664397516652 0.61411568307101 0.37570932350474 78.960 41 Se 0.44268136756547 0.61081127639330 0.86638932237277 78.960 42 Se 0.55731863243453 0.11081127639330 0.63361067762723 78.960 43 Se 0.55731863243453 0.38918872360670 0.13361067762723 78.960 44 Se 0.44268136756547 0.88918872360670 0.36638932237277 78.960 45 Se 0.54578603395461 0.77587265223213 0.06499981394056 78.960 46 Se 0.45421396604539 0.27587265223212 0.43500018605944 78.960 47 Se 0.45421396604539 0.22412734776787 0.93500018605944 78.960 48 Se 0.54578603395461 0.72412734776787 0.56499981394056 78.960 49 Se 0.58476556458757 0.85157906326449 0.81761016681899 78.960 50 Se 0.41523443541243 0.35157906326449 0.68238983318101 78.960 51 Se 0.41523443541243 0.14842093673551 0.18238983318101 78.960 52 Se 0.58476556458757 0.64842093673551 0.31761016681899 78.960 53 Se 0.71829882341693 0.70409020620714 0.82197076178765 78.960 54 Se 0.28170117658307 0.20409020620714 0.67802923821235 78.960 55 Se 0.28170117658307 0.29590979379286 0.17802923821236 78.960 56 Se 0.71829882341693 0.79590979379286 0.32197076178764 78.960 57 Se 0.68959476378938 0.63883424576248 0.07208256932157 78.960 58 Se 0.31040523621062 0.13883424576248 0.42791743067843 78.960 59 Se 0.31040523621062 0.36116575423752 0.92791743067843 78.960 60 Se 0.68959476378938 0.86116575423752 0.57208256932157 78.960 61 Se 0.91331702129754 0.60969854533157 0.01455573981104 78.960 62 Se 0.08668297870246 0.10969854533157 0.48544426018896 78.960 63 Se 0.08668297870246 0.39030145466843 0.98544426018896 78.960 64 Se 0.91331702129754 0.89030145466843 0.51455573981104 78.960 65 Se 0.81384324154333 0.88699848444739 0.02077060717599 78.960 66 Se 0.18615675845667 0.38699848444739 0.47922939282401 78.960 67 Se 0.18615675845667 0.11300151555261 0.97922939282401 78.960 68 Se 0.81384324154333 0.61300151555261 0.52077060717599 78.960 69 Ba 0.36327552325421 0.91209427628816 0.60936472127896 137.327 70 Ba 0.63672447674579 0.41209427628816 0.89063527872104 137.327 71 Ba 0.63672447674579 0.08790572371184 0.39063527872104 137.327 72 Ba 0.36327552325421 0.58790572371184 0.10936472127896 137.327 73 Ba 0.89717245089447 0.90177788280369 0.78676234281993 137.327 74 Ba 0.10282754910553 0.40177788280369 0.71323765718007 137.327 75 Ba 0.10282754910553 0.09822211719631 0.21323765718007 137.327 76 Ba 0.89717245089447 0.59822211719631 0.28676234281993 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.742988032053688 0.000000000000000 0.000000000000000 b 0.000000000000000 11.579250839999998 0.000000000000000 c -3.014386200346957 0.000000000000000 12.462826040498893 Atomic positions (fractional): 1 B 0.03023770841030 0.77951881529699 0.59424707870813 10.811 > 1 2 B 0.96976229158970 0.27951881529699 0.90575292129187 10.811 > 2 3 B 0.96976229158970 0.22048118470301 0.40575292129187 10.811 > 3 4 B 0.03023770841030 0.72048118470301 0.09424707870813 10.811 > 4 5 B 0.23807933634236 0.77493502738755 0.79691669897143 10.811 > 5 6 B 0.76192066365764 0.27493502738754 0.70308330102857 10.811 > 6 7 B 0.76192066365764 0.22506497261246 0.20308330102857 10.811 > 7 8 B 0.23807933634236 0.72506497261245 0.29691669897143 10.811 > 8 9 B 0.48667700647682 0.77696898101663 0.90348057811537 10.811 > 9 10 B 0.51332299352318 0.27696898101663 0.59651942188463 10.811 > 10 11 B 0.51332299352318 0.22303101898337 0.09651942188463 10.811 > 11 12 B 0.48667700647682 0.72303101898337 0.40348057811537 10.811 > 12 13 B 0.78281639504271 0.71814829663909 0.98290855109890 10.811 > 13 14 B 0.21718360495729 0.21814829663909 0.51709144890110 10.811 > 14 15 B 0.21718360495729 0.28185170336090 0.01709144890110 10.811 > 15 16 B 0.78281639504271 0.78185170336091 0.48290855109890 10.811 > 16 17 Se 0.96202975673960 0.65339919586713 0.67193561149348 78.960 > 17 18 Se 0.03797024326040 0.15339919586713 0.82806438850652 78.960 > 18 19 Se 0.03797024326040 0.34660080413287 0.32806438850652 78.960 > 19 20 Se 0.96202975673960 0.84660080413287 0.17193561149348 78.960 > 20 21 Se 0.10590714006876 0.68214165299792 0.50054704630033 78.960 > 21 22 Se 0.89409285993124 0.18214165299792 0.99945295369967 78.960 > 22 23 Se 0.89409285993124 0.31785834700208 0.49945295369967 78.960 > 23 24 Se 0.10590714006876 0.81785834700208 0.00054704630033 78.960 > 24 25 Se 0.13269036156382 0.88556933333933 0.69982202426018 78.960 > 25 26 Se 0.86730963843618 0.38556933333934 0.80017797573982 78.960 > 26 27 Se 0.86730963843618 0.11443066666066 0.30017797573982 78.960 > 27 28 Se 0.13269036156382 0.61443066666067 0.19982202426018 78.960 > 28 29 Se 0.16526949110912 0.67442727386178 0.89118070230265 78.960 > 29 30 Se 0.83473050889088 0.17442727386178 0.60881929769735 78.960 > 30 31 Se 0.83473050889088 0.32557272613822 0.10881929769735 78.960 > 31 32 Se 0.16526949110912 0.82557272613822 0.39118070230265 78.960 > 32 33 Se 0.29573873529372 0.64586255626394 0.71149315956884 78.960 > 33 34 Se 0.70426126470628 0.14586255626394 0.78850684043116 78.960 > 34 35 Se 0.70426126470628 0.35413744373606 0.28850684043116 78.960 > 35 36 Se 0.29573873529372 0.85413744373606 0.21149315956884 78.960 > 36 37 Se 0.35664397516652 0.88588431692899 0.87570932350474 78.960 > 37 38 Se 0.64335602483348 0.38588431692899 0.62429067649526 78.960 > 38 39 Se 0.64335602483348 0.11411568307101 0.12429067649526 78.960 > 39 40 Se 0.35664397516652 0.61411568307101 0.37570932350474 78.960 > 40 41 Se 0.44268136756547 0.61081127639330 0.86638932237277 78.960 > 41 42 Se 0.55731863243453 0.11081127639330 0.63361067762723 78.960 > 42 43 Se 0.55731863243453 0.38918872360670 0.13361067762723 78.960 > 43 44 Se 0.44268136756547 0.88918872360670 0.36638932237277 78.960 > 44 45 Se 0.54578603395461 0.77587265223213 0.06499981394056 78.960 > 45 46 Se 0.45421396604539 0.27587265223212 0.43500018605944 78.960 > 46 47 Se 0.45421396604539 0.22412734776787 0.93500018605944 78.960 > 47 48 Se 0.54578603395461 0.72412734776787 0.56499981394056 78.960 > 48 49 Se 0.58476556458757 0.85157906326449 0.81761016681899 78.960 > 49 50 Se 0.41523443541243 0.35157906326449 0.68238983318101 78.960 > 50 51 Se 0.41523443541243 0.14842093673551 0.18238983318101 78.960 > 51 52 Se 0.58476556458757 0.64842093673551 0.31761016681899 78.960 > 52 53 Se 0.71829882341693 0.70409020620714 0.82197076178765 78.960 > 53 54 Se 0.28170117658307 0.20409020620714 0.67802923821235 78.960 > 54 55 Se 0.28170117658307 0.29590979379286 0.17802923821236 78.960 > 55 56 Se 0.71829882341693 0.79590979379286 0.32197076178764 78.960 > 56 57 Se 0.68959476378938 0.63883424576248 0.07208256932157 78.960 > 57 58 Se 0.31040523621062 0.13883424576248 0.42791743067843 78.960 > 58 59 Se 0.31040523621062 0.36116575423752 0.92791743067843 78.960 > 59 60 Se 0.68959476378938 0.86116575423752 0.57208256932157 78.960 > 60 61 Se 0.91331702129754 0.60969854533157 0.01455573981104 78.960 > 61 62 Se 0.08668297870246 0.10969854533157 0.48544426018896 78.960 > 62 63 Se 0.08668297870246 0.39030145466843 0.98544426018896 78.960 > 63 64 Se 0.91331702129754 0.89030145466843 0.51455573981104 78.960 > 64 65 Se 0.81384324154333 0.88699848444739 0.02077060717599 78.960 > 65 66 Se 0.18615675845667 0.38699848444739 0.47922939282401 78.960 > 66 67 Se 0.18615675845667 0.11300151555261 0.97922939282401 78.960 > 67 68 Se 0.81384324154333 0.61300151555261 0.52077060717599 78.960 > 68 69 Ba 0.36327552325421 0.91209427628816 0.60936472127896 137.327 > 69 70 Ba 0.63672447674579 0.41209427628816 0.89063527872104 137.327 > 70 71 Ba 0.63672447674579 0.08790572371184 0.39063527872104 137.327 > 71 72 Ba 0.36327552325421 0.58790572371184 0.10936472127896 137.327 > 72 73 Ba 0.89717245089447 0.90177788280369 0.78676234281993 137.327 > 73 74 Ba 0.10282754910553 0.40177788280369 0.71323765718007 137.327 > 74 75 Ba 0.10282754910553 0.09822211719631 0.21323765718007 137.327 > 75 76 Ba 0.89717245089447 0.59822211719631 0.28676234281993 137.327 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.4501777 0.0000000 1.2358608 0.0000000 5.7453869 0.0000000 1.2358567 0.0000000 8.0412455 -------------------------- Born effective charges -------------------------- 1 B 1.6466539 -0.8547350 0.3860887 -0.1631185 0.6435171 0.1225756 0.3179638 0.5560467 0.8767195 2 B 1.6466539 0.8547350 0.3860887 0.1631185 0.6435171 -0.1225756 0.3179638 -0.5560467 0.8767195 3 B 1.6466539 -0.8547350 0.3860887 -0.1631185 0.6435171 0.1225756 0.3179638 0.5560467 0.8767195 4 B 1.6466539 0.8547350 0.3860887 0.1631185 0.6435171 -0.1225756 0.3179638 -0.5560467 0.8767195 5 B 1.5435170 0.8426621 0.3645698 -0.0326635 0.5335304 -0.1702350 0.2178713 -0.6318156 0.9397261 6 B 1.5435170 -0.8426621 0.3645698 0.0326635 0.5335304 0.1702350 0.2178713 0.6318156 0.9397261 7 B 1.5435170 0.8426621 0.3645698 -0.0326635 0.5335304 -0.1702350 0.2178713 -0.6318156 0.9397261 8 B 1.5435170 -0.8426621 0.3645698 0.0326635 0.5335304 0.1702350 0.2178713 0.6318156 0.9397261 9 B 1.1235724 0.8916434 -0.3452175 0.4145311 0.6428468 -0.2116452 -0.0145156 0.0044634 0.7457648 10 B 1.1235724 -0.8916434 -0.3452175 -0.4145311 0.6428468 0.2116452 -0.0145156 -0.0044634 0.7457648 11 B 1.1235724 0.8916434 -0.3452175 0.4145311 0.6428468 -0.2116452 -0.0145156 0.0044634 0.7457648 12 B 1.1235724 -0.8916434 -0.3452175 -0.4145311 0.6428468 0.2116452 -0.0145156 -0.0044634 0.7457648 13 B 1.0043099 0.8517369 -0.0853765 0.2497187 0.6060891 -0.3334496 0.0280308 0.0564690 1.0047977 14 B 1.0043099 -0.8517369 -0.0853765 -0.2497187 0.6060891 0.3334496 0.0280308 -0.0564690 1.0047977 15 B 1.0043099 0.8517369 -0.0853765 0.2497187 0.6060891 -0.3334496 0.0280308 0.0564690 1.0047977 16 B 1.0043099 -0.8517369 -0.0853765 -0.2497187 0.6060891 0.3334496 0.0280308 -0.0564690 1.0047977 17 Se -0.6486594 0.3735122 1.1140113 0.2716044 -0.8194908 0.1900835 1.0894370 -0.2516279 0.3237007 18 Se -0.6486594 -0.3735122 1.1140113 -0.2716044 -0.8194908 -0.1900835 1.0894370 0.2516279 0.3237007 19 Se -0.6486594 0.3735122 1.1140113 0.2716044 -0.8194908 0.1900835 1.0894370 -0.2516279 0.3237007 20 Se -0.6486594 -0.3735122 1.1140113 -0.2716044 -0.8194908 -0.1900835 1.0894370 0.2516279 0.3237007 21 Se -0.8361842 0.2935471 -0.9684313 0.2116638 -0.3968387 -0.2332632 -0.9330401 -0.4794963 -1.4897649 22 Se -0.8361842 -0.2935471 -0.9684313 -0.2116638 -0.3968387 0.2332632 -0.9330401 0.4794963 -1.4897649 23 Se -0.8361842 0.2935471 -0.9684313 0.2116638 -0.3968387 -0.2332632 -0.9330401 -0.4794963 -1.4897649 24 Se -0.8361842 -0.2935471 -0.9684313 -0.2116638 -0.3968387 0.2332632 -0.9330401 0.4794963 -1.4897649 25 Se -1.5181019 -0.0493504 -0.0667163 0.0148830 -0.6561084 -0.0199657 -0.1928706 -0.0366092 -1.1567864 26 Se -1.5181019 0.0493504 -0.0667163 -0.0148830 -0.6561084 0.0199657 -0.1928706 0.0366092 -1.1567864 27 Se -1.5181019 -0.0493504 -0.0667163 0.0148830 -0.6561084 -0.0199657 -0.1928706 -0.0366092 -1.1567864 28 Se -1.5181019 0.0493504 -0.0667163 -0.0148830 -0.6561084 0.0199657 -0.1928706 0.0366092 -1.1567864 29 Se -0.6381567 -0.4198615 -0.9976645 -0.1130315 -0.5979237 0.2523435 -0.8648494 0.3764044 -1.1310844 30 Se -0.6381567 0.4198615 -0.9976645 0.1130315 -0.5979237 -0.2523435 -0.8648494 -0.3764044 -1.1310844 31 Se -0.6381567 -0.4198615 -0.9976645 -0.1130315 -0.5979237 0.2523435 -0.8648494 0.3764044 -1.1310844 32 Se -0.6381567 0.4198615 -0.9976645 0.1130315 -0.5979237 -0.2523435 -0.8648494 -0.3764044 -1.1310844 33 Se -0.4567931 -0.5215199 1.6228854 -0.4869697 -0.6535039 -0.4953793 1.7038243 0.1220279 0.8025834 34 Se -0.4567931 0.5215199 1.6228854 0.4869697 -0.6535039 0.4953793 1.7038243 -0.1220279 0.8025834 35 Se -0.4567931 -0.5215199 1.6228854 -0.4869697 -0.6535039 -0.4953793 1.7038243 0.1220279 0.8025834 36 Se -0.4567931 0.5215199 1.6228854 0.4869697 -0.6535039 0.4953793 1.7038243 -0.1220279 0.8025834 37 Se -1.8756877 -0.3127953 -0.5740183 -0.0809254 -0.3865238 0.1709644 -0.3299618 0.2110737 -0.9593813 38 Se -1.8756877 0.3127953 -0.5740183 0.0809254 -0.3865238 -0.1709644 -0.3299618 -0.2110737 -0.9593813 39 Se -1.8756877 -0.3127953 -0.5740183 -0.0809254 -0.3865238 0.1709644 -0.3299618 0.2110737 -0.9593813 40 Se -1.8756877 0.3127953 -0.5740183 0.0809254 -0.3865238 -0.1709644 -0.3299618 -0.2110737 -0.9593813 41 Se -0.8028326 0.0357241 -0.0933644 0.3879528 -0.9116102 0.3029172 -0.6261674 0.3900903 -0.8585613 42 Se -0.8028326 -0.0357241 -0.0933644 -0.3879528 -0.9116102 -0.3029172 -0.6261674 -0.3900903 -0.8585613 43 Se -0.8028326 0.0357241 -0.0933644 0.3879528 -0.9116102 0.3029172 -0.6261674 0.3900903 -0.8585613 44 Se -0.8028326 -0.0357241 -0.0933644 -0.3879528 -0.9116102 -0.3029172 -0.6261674 -0.3900903 -0.8585613 45 Se -0.9343559 -0.3771042 0.1710519 -0.2889944 -0.3433180 -0.0055239 0.1564891 -0.3373002 -0.6873036 46 Se -0.9343559 0.3771042 0.1710519 0.2889944 -0.3433180 0.0055239 0.1564891 0.3373002 -0.6873036 47 Se -0.9343559 -0.3771042 0.1710519 -0.2889944 -0.3433180 -0.0055239 0.1564891 -0.3373002 -0.6873036 48 Se -0.9343559 0.3771042 0.1710519 0.2889944 -0.3433180 0.0055239 0.1564891 0.3373002 -0.6873036 49 Se -0.4239068 -0.5401259 -0.5025038 -0.2169136 -0.4911143 0.2761453 -0.2832632 0.2433960 -1.3550894 50 Se -0.4239068 0.5401259 -0.5025038 0.2169136 -0.4911143 -0.2761453 -0.2832632 -0.2433960 -1.3550894 51 Se -0.4239068 -0.5401259 -0.5025038 -0.2169136 -0.4911143 0.2761453 -0.2832632 0.2433960 -1.3550894 52 Se -0.4239068 0.5401259 -0.5025038 0.2169136 -0.4911143 -0.2761453 -0.2832632 -0.2433960 -1.3550894 53 Se -0.9428996 -0.1709671 0.2045796 -0.3868546 -0.5746836 0.1670280 0.0802912 0.0481375 -0.5238065 54 Se -0.9428996 0.1709671 0.2045796 0.3868546 -0.5746836 -0.1670280 0.0802912 -0.0481375 -0.5238065 55 Se -0.9428996 -0.1709671 0.2045796 -0.3868546 -0.5746836 0.1670280 0.0802912 0.0481375 -0.5238065 56 Se -0.9428996 0.1709671 0.2045796 0.3868546 -0.5746836 -0.1670280 0.0802912 -0.0481375 -0.5238065 57 Se 0.1669642 -0.4458812 -0.3636712 -0.2507523 -0.6278874 0.2447058 -0.1236780 0.1387798 -1.3424947 58 Se 0.1669642 0.4458812 -0.3636712 0.2507523 -0.6278874 -0.2447058 -0.1236780 -0.1387798 -1.3424947 59 Se 0.1669642 -0.4458812 -0.3636712 -0.2507523 -0.6278874 0.2447058 -0.1236780 0.1387798 -1.3424947 60 Se 0.1669642 0.4458812 -0.3636712 0.2507523 -0.6278874 -0.2447058 -0.1236780 -0.1387798 -1.3424947 61 Se -2.0494494 -0.4401064 -0.5612296 -0.2529462 -0.5717642 0.0054270 -0.4611491 0.0706271 -0.9051688 62 Se -2.0494494 0.4401064 -0.5612296 0.2529462 -0.5717642 -0.0054270 -0.4611491 -0.0706271 -0.9051688 63 Se -2.0494494 -0.4401064 -0.5612296 -0.2529462 -0.5717642 0.0054270 -0.4611491 0.0706271 -0.9051688 64 Se -2.0494494 0.4401064 -0.5612296 0.2529462 -0.5717642 -0.0054270 -0.4611491 -0.0706271 -0.9051688 65 Se -0.0648419 -0.5016973 0.2531575 -0.0973946 -0.7328633 0.0679196 0.2482414 -0.1619668 -0.6298092 66 Se -0.0648419 0.5016973 0.2531575 0.0973946 -0.7328633 -0.0679196 0.2482414 0.1619668 -0.6298092 67 Se -0.0648419 -0.5016973 0.2531575 -0.0973946 -0.7328633 0.0679196 0.2482414 -0.1619668 -0.6298092 68 Se -0.0648419 0.5016973 0.2531575 0.0973946 -0.7328633 -0.0679196 0.2482414 0.1619668 -0.6298092 69 Ba 2.8535957 0.0811758 0.2298687 0.1207878 2.6469350 -0.4792608 -0.0190090 -0.0854407 3.0569682 70 Ba 2.8535957 -0.0811758 0.2298687 -0.1207878 2.6469350 0.4792608 -0.0190090 0.0854407 3.0569682 71 Ba 2.8535957 0.0811758 0.2298687 0.1207878 2.6469350 -0.4792608 -0.0190090 -0.0854407 3.0569682 72 Ba 2.8535957 -0.0811758 0.2298687 -0.1207878 2.6469350 0.4792608 -0.0190090 0.0854407 3.0569682 73 Ba 2.8532561 0.0640186 0.2119803 0.0998376 2.6907117 0.0307643 0.0063552 0.0379340 3.2889901 74 Ba 2.8532561 -0.0640186 0.2119803 -0.0998376 2.6907117 -0.0307643 0.0063552 -0.0379340 3.2889901 75 Ba 2.8532561 0.0640186 0.2119803 0.0998376 2.6907117 0.0307643 0.0063552 0.0379340 3.2889901 76 Ba 2.8532561 -0.0640186 0.2119803 -0.0998376 2.6907117 -0.0307643 0.0063552 -0.0379340 3.2889901 ---------------------------------------------------------------------------- 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 29, 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 45, 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Computing fc3[ 69, 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] 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] [-0.0024 0.0000 0.0097] [ 0.0024 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:37:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:37:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.742988032053688 0.000000000000000 0.000000000000000 b 0.000000000000000 11.579250839999998 0.000000000000000 c -3.014386200346957 0.000000000000000 12.462826040498893 Atomic positions (fractional): 1 B 0.03023770841030 0.77951881529699 0.59424707870813 10.811 2 B 0.96976229158970 0.27951881529699 0.90575292129187 10.811 3 B 0.96976229158970 0.22048118470301 0.40575292129187 10.811 4 B 0.03023770841030 0.72048118470301 0.09424707870813 10.811 5 B 0.23807933634236 0.77493502738755 0.79691669897143 10.811 6 B 0.76192066365764 0.27493502738754 0.70308330102857 10.811 7 B 0.76192066365764 0.22506497261246 0.20308330102857 10.811 8 B 0.23807933634236 0.72506497261245 0.29691669897143 10.811 9 B 0.48667700647682 0.77696898101663 0.90348057811537 10.811 10 B 0.51332299352318 0.27696898101663 0.59651942188463 10.811 11 B 0.51332299352318 0.22303101898337 0.09651942188463 10.811 12 B 0.48667700647682 0.72303101898337 0.40348057811537 10.811 13 B 0.78281639504271 0.71814829663909 0.98290855109890 10.811 14 B 0.21718360495729 0.21814829663909 0.51709144890110 10.811 15 B 0.21718360495729 0.28185170336090 0.01709144890110 10.811 16 B 0.78281639504271 0.78185170336091 0.48290855109890 10.811 17 Se 0.96202975673960 0.65339919586713 0.67193561149348 78.960 18 Se 0.03797024326040 0.15339919586713 0.82806438850652 78.960 19 Se 0.03797024326040 0.34660080413287 0.32806438850652 78.960 20 Se 0.96202975673960 0.84660080413287 0.17193561149348 78.960 21 Se 0.10590714006876 0.68214165299792 0.50054704630033 78.960 22 Se 0.89409285993124 0.18214165299792 0.99945295369967 78.960 23 Se 0.89409285993124 0.31785834700208 0.49945295369967 78.960 24 Se 0.10590714006876 0.81785834700208 0.00054704630033 78.960 25 Se 0.13269036156382 0.88556933333933 0.69982202426018 78.960 26 Se 0.86730963843618 0.38556933333934 0.80017797573982 78.960 27 Se 0.86730963843618 0.11443066666066 0.30017797573982 78.960 28 Se 0.13269036156382 0.61443066666067 0.19982202426018 78.960 29 Se 0.16526949110912 0.67442727386178 0.89118070230265 78.960 30 Se 0.83473050889088 0.17442727386178 0.60881929769735 78.960 31 Se 0.83473050889088 0.32557272613822 0.10881929769735 78.960 32 Se 0.16526949110912 0.82557272613822 0.39118070230265 78.960 33 Se 0.29573873529372 0.64586255626394 0.71149315956884 78.960 34 Se 0.70426126470628 0.14586255626394 0.78850684043116 78.960 35 Se 0.70426126470628 0.35413744373606 0.28850684043116 78.960 36 Se 0.29573873529372 0.85413744373606 0.21149315956884 78.960 37 Se 0.35664397516652 0.88588431692899 0.87570932350474 78.960 38 Se 0.64335602483348 0.38588431692899 0.62429067649526 78.960 39 Se 0.64335602483348 0.11411568307101 0.12429067649526 78.960 40 Se 0.35664397516652 0.61411568307101 0.37570932350474 78.960 41 Se 0.44268136756547 0.61081127639330 0.86638932237277 78.960 42 Se 0.55731863243453 0.11081127639330 0.63361067762723 78.960 43 Se 0.55731863243453 0.38918872360670 0.13361067762723 78.960 44 Se 0.44268136756547 0.88918872360670 0.36638932237277 78.960 45 Se 0.54578603395461 0.77587265223213 0.06499981394056 78.960 46 Se 0.45421396604539 0.27587265223212 0.43500018605944 78.960 47 Se 0.45421396604539 0.22412734776787 0.93500018605944 78.960 48 Se 0.54578603395461 0.72412734776787 0.56499981394056 78.960 49 Se 0.58476556458757 0.85157906326449 0.81761016681899 78.960 50 Se 0.41523443541243 0.35157906326449 0.68238983318101 78.960 51 Se 0.41523443541243 0.14842093673551 0.18238983318101 78.960 52 Se 0.58476556458757 0.64842093673551 0.31761016681899 78.960 53 Se 0.71829882341693 0.70409020620714 0.82197076178765 78.960 54 Se 0.28170117658307 0.20409020620714 0.67802923821235 78.960 55 Se 0.28170117658307 0.29590979379286 0.17802923821236 78.960 56 Se 0.71829882341693 0.79590979379286 0.32197076178764 78.960 57 Se 0.68959476378938 0.63883424576248 0.07208256932157 78.960 58 Se 0.31040523621062 0.13883424576248 0.42791743067843 78.960 59 Se 0.31040523621062 0.36116575423752 0.92791743067843 78.960 60 Se 0.68959476378938 0.86116575423752 0.57208256932157 78.960 61 Se 0.91331702129754 0.60969854533157 0.01455573981104 78.960 62 Se 0.08668297870246 0.10969854533157 0.48544426018896 78.960 63 Se 0.08668297870246 0.39030145466843 0.98544426018896 78.960 64 Se 0.91331702129754 0.89030145466843 0.51455573981104 78.960 65 Se 0.81384324154333 0.88699848444739 0.02077060717599 78.960 66 Se 0.18615675845667 0.38699848444739 0.47922939282401 78.960 67 Se 0.18615675845667 0.11300151555261 0.97922939282401 78.960 68 Se 0.81384324154333 0.61300151555261 0.52077060717599 78.960 69 Ba 0.36327552325421 0.91209427628816 0.60936472127896 137.327 70 Ba 0.63672447674579 0.41209427628816 0.89063527872104 137.327 71 Ba 0.63672447674579 0.08790572371184 0.39063527872104 137.327 72 Ba 0.36327552325421 0.58790572371184 0.10936472127896 137.327 73 Ba 0.89717245089447 0.90177788280369 0.78676234281993 137.327 74 Ba 0.10282754910553 0.40177788280369 0.71323765718007 137.327 75 Ba 0.10282754910553 0.09822211719631 0.21323765718007 137.327 76 Ba 0.89717245089447 0.59822211719631 0.28676234281993 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.742988032053688 0.000000000000000 0.000000000000000 b 0.000000000000000 11.579250839999998 0.000000000000000 c -3.014386200346957 0.000000000000000 12.462826040498893 Atomic positions (fractional): 1 B 0.03023770841030 0.77951881529699 0.59424707870813 10.811 > 1 2 B 0.96976229158970 0.27951881529699 0.90575292129187 10.811 > 2 3 B 0.96976229158970 0.22048118470301 0.40575292129187 10.811 > 3 4 B 0.03023770841030 0.72048118470301 0.09424707870813 10.811 > 4 5 B 0.23807933634236 0.77493502738755 0.79691669897143 10.811 > 5 6 B 0.76192066365764 0.27493502738754 0.70308330102857 10.811 > 6 7 B 0.76192066365764 0.22506497261246 0.20308330102857 10.811 > 7 8 B 0.23807933634236 0.72506497261245 0.29691669897143 10.811 > 8 9 B 0.48667700647682 0.77696898101663 0.90348057811537 10.811 > 9 10 B 0.51332299352318 0.27696898101663 0.59651942188463 10.811 > 10 11 B 0.51332299352318 0.22303101898337 0.09651942188463 10.811 > 11 12 B 0.48667700647682 0.72303101898337 0.40348057811537 10.811 > 12 13 B 0.78281639504271 0.71814829663909 0.98290855109890 10.811 > 13 14 B 0.21718360495729 0.21814829663909 0.51709144890110 10.811 > 14 15 B 0.21718360495729 0.28185170336090 0.01709144890110 10.811 > 15 16 B 0.78281639504271 0.78185170336091 0.48290855109890 10.811 > 16 17 Se 0.96202975673960 0.65339919586713 0.67193561149348 78.960 > 17 18 Se 0.03797024326040 0.15339919586713 0.82806438850652 78.960 > 18 19 Se 0.03797024326040 0.34660080413287 0.32806438850652 78.960 > 19 20 Se 0.96202975673960 0.84660080413287 0.17193561149348 78.960 > 20 21 Se 0.10590714006876 0.68214165299792 0.50054704630033 78.960 > 21 22 Se 0.89409285993124 0.18214165299792 0.99945295369967 78.960 > 22 23 Se 0.89409285993124 0.31785834700208 0.49945295369967 78.960 > 23 24 Se 0.10590714006876 0.81785834700208 0.00054704630033 78.960 > 24 25 Se 0.13269036156382 0.88556933333933 0.69982202426018 78.960 > 25 26 Se 0.86730963843618 0.38556933333934 0.80017797573982 78.960 > 26 27 Se 0.86730963843618 0.11443066666066 0.30017797573982 78.960 > 27 28 Se 0.13269036156382 0.61443066666067 0.19982202426018 78.960 > 28 29 Se 0.16526949110912 0.67442727386178 0.89118070230265 78.960 > 29 30 Se 0.83473050889088 0.17442727386178 0.60881929769735 78.960 > 30 31 Se 0.83473050889088 0.32557272613822 0.10881929769735 78.960 > 31 32 Se 0.16526949110912 0.82557272613822 0.39118070230265 78.960 > 32 33 Se 0.29573873529372 0.64586255626394 0.71149315956884 78.960 > 33 34 Se 0.70426126470628 0.14586255626394 0.78850684043116 78.960 > 34 35 Se 0.70426126470628 0.35413744373606 0.28850684043116 78.960 > 35 36 Se 0.29573873529372 0.85413744373606 0.21149315956884 78.960 > 36 37 Se 0.35664397516652 0.88588431692899 0.87570932350474 78.960 > 37 38 Se 0.64335602483348 0.38588431692899 0.62429067649526 78.960 > 38 39 Se 0.64335602483348 0.11411568307101 0.12429067649526 78.960 > 39 40 Se 0.35664397516652 0.61411568307101 0.37570932350474 78.960 > 40 41 Se 0.44268136756547 0.61081127639330 0.86638932237277 78.960 > 41 42 Se 0.55731863243453 0.11081127639330 0.63361067762723 78.960 > 42 43 Se 0.55731863243453 0.38918872360670 0.13361067762723 78.960 > 43 44 Se 0.44268136756547 0.88918872360670 0.36638932237277 78.960 > 44 45 Se 0.54578603395461 0.77587265223213 0.06499981394056 78.960 > 45 46 Se 0.45421396604539 0.27587265223212 0.43500018605944 78.960 > 46 47 Se 0.45421396604539 0.22412734776787 0.93500018605944 78.960 > 47 48 Se 0.54578603395461 0.72412734776787 0.56499981394056 78.960 > 48 49 Se 0.58476556458757 0.85157906326449 0.81761016681899 78.960 > 49 50 Se 0.41523443541243 0.35157906326449 0.68238983318101 78.960 > 50 51 Se 0.41523443541243 0.14842093673551 0.18238983318101 78.960 > 51 52 Se 0.58476556458757 0.64842093673551 0.31761016681899 78.960 > 52 53 Se 0.71829882341693 0.70409020620714 0.82197076178765 78.960 > 53 54 Se 0.28170117658307 0.20409020620714 0.67802923821235 78.960 > 54 55 Se 0.28170117658307 0.29590979379286 0.17802923821236 78.960 > 55 56 Se 0.71829882341693 0.79590979379286 0.32197076178764 78.960 > 56 57 Se 0.68959476378938 0.63883424576248 0.07208256932157 78.960 > 57 58 Se 0.31040523621062 0.13883424576248 0.42791743067843 78.960 > 58 59 Se 0.31040523621062 0.36116575423752 0.92791743067843 78.960 > 59 60 Se 0.68959476378938 0.86116575423752 0.57208256932157 78.960 > 60 61 Se 0.91331702129754 0.60969854533157 0.01455573981104 78.960 > 61 62 Se 0.08668297870246 0.10969854533157 0.48544426018896 78.960 > 62 63 Se 0.08668297870246 0.39030145466843 0.98544426018896 78.960 > 63 64 Se 0.91331702129754 0.89030145466843 0.51455573981104 78.960 > 64 65 Se 0.81384324154333 0.88699848444739 0.02077060717599 78.960 > 65 66 Se 0.18615675845667 0.38699848444739 0.47922939282401 78.960 > 66 67 Se 0.18615675845667 0.11300151555261 0.97922939282401 78.960 > 67 68 Se 0.81384324154333 0.61300151555261 0.52077060717599 78.960 > 68 69 Ba 0.36327552325421 0.91209427628816 0.60936472127896 137.327 > 69 70 Ba 0.63672447674579 0.41209427628816 0.89063527872104 137.327 > 70 71 Ba 0.63672447674579 0.08790572371184 0.39063527872104 137.327 > 71 72 Ba 0.36327552325421 0.58790572371184 0.10936472127896 137.327 > 72 73 Ba 0.89717245089447 0.90177788280369 0.78676234281993 137.327 > 73 74 Ba 0.10282754910553 0.40177788280369 0.71323765718007 137.327 > 74 75 Ba 0.10282754910553 0.09822211719631 0.21323765718007 137.327 > 75 76 Ba 0.89717245089447 0.59822211719631 0.28676234281993 137.327 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.4501777 0.0000000 1.2358608 0.0000000 5.7453869 0.0000000 1.2358567 0.0000000 8.0412455 -------------------------- Born effective charges -------------------------- 1 B 1.6466539 -0.8547350 0.3860887 -0.1631185 0.6435171 0.1225756 0.3179638 0.5560467 0.8767195 2 B 1.6466539 0.8547350 0.3860887 0.1631185 0.6435171 -0.1225756 0.3179638 -0.5560467 0.8767195 3 B 1.6466539 -0.8547350 0.3860887 -0.1631185 0.6435171 0.1225756 0.3179638 0.5560467 0.8767195 4 B 1.6466539 0.8547350 0.3860887 0.1631185 0.6435171 -0.1225756 0.3179638 -0.5560467 0.8767195 5 B 1.5435170 0.8426621 0.3645698 -0.0326635 0.5335304 -0.1702350 0.2178713 -0.6318156 0.9397261 6 B 1.5435170 -0.8426621 0.3645698 0.0326635 0.5335304 0.1702350 0.2178713 0.6318156 0.9397261 7 B 1.5435170 0.8426621 0.3645698 -0.0326635 0.5335304 -0.1702350 0.2178713 -0.6318156 0.9397261 8 B 1.5435170 -0.8426621 0.3645698 0.0326635 0.5335304 0.1702350 0.2178713 0.6318156 0.9397261 9 B 1.1235724 0.8916434 -0.3452175 0.4145311 0.6428468 -0.2116452 -0.0145156 0.0044634 0.7457648 10 B 1.1235724 -0.8916434 -0.3452175 -0.4145311 0.6428468 0.2116452 -0.0145156 -0.0044634 0.7457648 11 B 1.1235724 0.8916434 -0.3452175 0.4145311 0.6428468 -0.2116452 -0.0145156 0.0044634 0.7457648 12 B 1.1235724 -0.8916434 -0.3452175 -0.4145311 0.6428468 0.2116452 -0.0145156 -0.0044634 0.7457648 13 B 1.0043099 0.8517369 -0.0853765 0.2497187 0.6060891 -0.3334496 0.0280308 0.0564690 1.0047977 14 B 1.0043099 -0.8517369 -0.0853765 -0.2497187 0.6060891 0.3334496 0.0280308 -0.0564690 1.0047977 15 B 1.0043099 0.8517369 -0.0853765 0.2497187 0.6060891 -0.3334496 0.0280308 0.0564690 1.0047977 16 B 1.0043099 -0.8517369 -0.0853765 -0.2497187 0.6060891 0.3334496 0.0280308 -0.0564690 1.0047977 17 Se -0.6486594 0.3735122 1.1140113 0.2716044 -0.8194908 0.1900835 1.0894370 -0.2516279 0.3237007 18 Se -0.6486594 -0.3735122 1.1140113 -0.2716044 -0.8194908 -0.1900835 1.0894370 0.2516279 0.3237007 19 Se -0.6486594 0.3735122 1.1140113 0.2716044 -0.8194908 0.1900835 1.0894370 -0.2516279 0.3237007 20 Se -0.6486594 -0.3735122 1.1140113 -0.2716044 -0.8194908 -0.1900835 1.0894370 0.2516279 0.3237007 21 Se -0.8361842 0.2935471 -0.9684313 0.2116638 -0.3968387 -0.2332632 -0.9330401 -0.4794963 -1.4897649 22 Se -0.8361842 -0.2935471 -0.9684313 -0.2116638 -0.3968387 0.2332632 -0.9330401 0.4794963 -1.4897649 23 Se -0.8361842 0.2935471 -0.9684313 0.2116638 -0.3968387 -0.2332632 -0.9330401 -0.4794963 -1.4897649 24 Se -0.8361842 -0.2935471 -0.9684313 -0.2116638 -0.3968387 0.2332632 -0.9330401 0.4794963 -1.4897649 25 Se -1.5181019 -0.0493504 -0.0667163 0.0148830 -0.6561084 -0.0199657 -0.1928706 -0.0366092 -1.1567864 26 Se -1.5181019 0.0493504 -0.0667163 -0.0148830 -0.6561084 0.0199657 -0.1928706 0.0366092 -1.1567864 27 Se -1.5181019 -0.0493504 -0.0667163 0.0148830 -0.6561084 -0.0199657 -0.1928706 -0.0366092 -1.1567864 28 Se -1.5181019 0.0493504 -0.0667163 -0.0148830 -0.6561084 0.0199657 -0.1928706 0.0366092 -1.1567864 29 Se -0.6381567 -0.4198615 -0.9976645 -0.1130315 -0.5979237 0.2523435 -0.8648494 0.3764044 -1.1310844 30 Se -0.6381567 0.4198615 -0.9976645 0.1130315 -0.5979237 -0.2523435 -0.8648494 -0.3764044 -1.1310844 31 Se -0.6381567 -0.4198615 -0.9976645 -0.1130315 -0.5979237 0.2523435 -0.8648494 0.3764044 -1.1310844 32 Se -0.6381567 0.4198615 -0.9976645 0.1130315 -0.5979237 -0.2523435 -0.8648494 -0.3764044 -1.1310844 33 Se -0.4567931 -0.5215199 1.6228854 -0.4869697 -0.6535039 -0.4953793 1.7038243 0.1220279 0.8025834 34 Se -0.4567931 0.5215199 1.6228854 0.4869697 -0.6535039 0.4953793 1.7038243 -0.1220279 0.8025834 35 Se -0.4567931 -0.5215199 1.6228854 -0.4869697 -0.6535039 -0.4953793 1.7038243 0.1220279 0.8025834 36 Se -0.4567931 0.5215199 1.6228854 0.4869697 -0.6535039 0.4953793 1.7038243 -0.1220279 0.8025834 37 Se -1.8756877 -0.3127953 -0.5740183 -0.0809254 -0.3865238 0.1709644 -0.3299618 0.2110737 -0.9593813 38 Se -1.8756877 0.3127953 -0.5740183 0.0809254 -0.3865238 -0.1709644 -0.3299618 -0.2110737 -0.9593813 39 Se -1.8756877 -0.3127953 -0.5740183 -0.0809254 -0.3865238 0.1709644 -0.3299618 0.2110737 -0.9593813 40 Se -1.8756877 0.3127953 -0.5740183 0.0809254 -0.3865238 -0.1709644 -0.3299618 -0.2110737 -0.9593813 41 Se -0.8028326 0.0357241 -0.0933644 0.3879528 -0.9116102 0.3029172 -0.6261674 0.3900903 -0.8585613 42 Se -0.8028326 -0.0357241 -0.0933644 -0.3879528 -0.9116102 -0.3029172 -0.6261674 -0.3900903 -0.8585613 43 Se -0.8028326 0.0357241 -0.0933644 0.3879528 -0.9116102 0.3029172 -0.6261674 0.3900903 -0.8585613 44 Se -0.8028326 -0.0357241 -0.0933644 -0.3879528 -0.9116102 -0.3029172 -0.6261674 -0.3900903 -0.8585613 45 Se -0.9343559 -0.3771042 0.1710519 -0.2889944 -0.3433180 -0.0055239 0.1564891 -0.3373002 -0.6873036 46 Se -0.9343559 0.3771042 0.1710519 0.2889944 -0.3433180 0.0055239 0.1564891 0.3373002 -0.6873036 47 Se -0.9343559 -0.3771042 0.1710519 -0.2889944 -0.3433180 -0.0055239 0.1564891 -0.3373002 -0.6873036 48 Se -0.9343559 0.3771042 0.1710519 0.2889944 -0.3433180 0.0055239 0.1564891 0.3373002 -0.6873036 49 Se -0.4239068 -0.5401259 -0.5025038 -0.2169136 -0.4911143 0.2761453 -0.2832632 0.2433960 -1.3550894 50 Se -0.4239068 0.5401259 -0.5025038 0.2169136 -0.4911143 -0.2761453 -0.2832632 -0.2433960 -1.3550894 51 Se -0.4239068 -0.5401259 -0.5025038 -0.2169136 -0.4911143 0.2761453 -0.2832632 0.2433960 -1.3550894 52 Se -0.4239068 0.5401259 -0.5025038 0.2169136 -0.4911143 -0.2761453 -0.2832632 -0.2433960 -1.3550894 53 Se -0.9428996 -0.1709671 0.2045796 -0.3868546 -0.5746836 0.1670280 0.0802912 0.0481375 -0.5238065 54 Se -0.9428996 0.1709671 0.2045796 0.3868546 -0.5746836 -0.1670280 0.0802912 -0.0481375 -0.5238065 55 Se -0.9428996 -0.1709671 0.2045796 -0.3868546 -0.5746836 0.1670280 0.0802912 0.0481375 -0.5238065 56 Se -0.9428996 0.1709671 0.2045796 0.3868546 -0.5746836 -0.1670280 0.0802912 -0.0481375 -0.5238065 57 Se 0.1669642 -0.4458812 -0.3636712 -0.2507523 -0.6278874 0.2447058 -0.1236780 0.1387798 -1.3424947 58 Se 0.1669642 0.4458812 -0.3636712 0.2507523 -0.6278874 -0.2447058 -0.1236780 -0.1387798 -1.3424947 59 Se 0.1669642 -0.4458812 -0.3636712 -0.2507523 -0.6278874 0.2447058 -0.1236780 0.1387798 -1.3424947 60 Se 0.1669642 0.4458812 -0.3636712 0.2507523 -0.6278874 -0.2447058 -0.1236780 -0.1387798 -1.3424947 61 Se -2.0494494 -0.4401064 -0.5612296 -0.2529462 -0.5717642 0.0054270 -0.4611491 0.0706271 -0.9051688 62 Se -2.0494494 0.4401064 -0.5612296 0.2529462 -0.5717642 -0.0054270 -0.4611491 -0.0706271 -0.9051688 63 Se -2.0494494 -0.4401064 -0.5612296 -0.2529462 -0.5717642 0.0054270 -0.4611491 0.0706271 -0.9051688 64 Se -2.0494494 0.4401064 -0.5612296 0.2529462 -0.5717642 -0.0054270 -0.4611491 -0.0706271 -0.9051688 65 Se -0.0648419 -0.5016973 0.2531575 -0.0973946 -0.7328633 0.0679196 0.2482414 -0.1619668 -0.6298092 66 Se -0.0648419 0.5016973 0.2531575 0.0973946 -0.7328633 -0.0679196 0.2482414 0.1619668 -0.6298092 67 Se -0.0648419 -0.5016973 0.2531575 -0.0973946 -0.7328633 0.0679196 0.2482414 -0.1619668 -0.6298092 68 Se -0.0648419 0.5016973 0.2531575 0.0973946 -0.7328633 -0.0679196 0.2482414 0.1619668 -0.6298092 69 Ba 2.8535957 0.0811758 0.2298687 0.1207878 2.6469350 -0.4792608 -0.0190090 -0.0854407 3.0569682 70 Ba 2.8535957 -0.0811758 0.2298687 -0.1207878 2.6469350 0.4792608 -0.0190090 0.0854407 3.0569682 71 Ba 2.8535957 0.0811758 0.2298687 0.1207878 2.6469350 -0.4792608 -0.0190090 -0.0854407 3.0569682 72 Ba 2.8535957 -0.0811758 0.2298687 -0.1207878 2.6469350 0.4792608 -0.0190090 0.0854407 3.0569682 73 Ba 2.8532561 0.0640186 0.2119803 0.0998376 2.6907117 0.0307643 0.0063552 0.0379340 3.2889901 74 Ba 2.8532561 -0.0640186 0.2119803 -0.0998376 2.6907117 -0.0307643 0.0063552 -0.0379340 3.2889901 75 Ba 2.8532561 0.0640186 0.2119803 0.0998376 2.6907117 0.0307643 0.0063552 0.0379340 3.2889901 76 Ba 2.8532561 -0.0640186 0.2119803 -0.0998376 2.6907117 -0.0307643 0.0063552 -0.0379340 3.2889901 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 ... [ 4 4 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.34, Number of G-points: 305, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.568 ( 0.000 0.000 0.000) 0.000 0.863 ( 0.000 0.000 0.000) 0.000 0.898 ( 0.000 0.000 0.000) 0.000 1.007 ( 0.000 0.000 0.000) 0.000 1.012 ( 0.000 0.000 0.000) 0.000 1.157 ( 0.000 0.000 0.000) 0.000 1.191 ( 0.000 0.000 0.000) 0.000 1.220 ( 0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.277 ( 0.000 0.000 0.000) 0.000 1.306 ( 0.000 0.000 0.000) 0.000 1.323 ( 0.000 0.000 0.000) 0.000 1.337 ( 0.000 0.000 0.000) 0.000 1.380 ( 0.000 0.000 0.000) 0.000 1.382 ( 0.000 0.000 0.000) 0.000 1.396 ( 0.000 0.000 0.000) 0.000 1.486 ( 0.000 0.000 0.000) 0.000 1.486 ( 0.000 0.000 0.000) 0.000 1.507 ( 0.000 0.000 0.000) 0.000 1.533 ( 0.000 0.000 0.000) 0.000 1.548 ( 0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.625 ( 0.000 0.000 0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.707 ( 0.000 0.000 0.000) 0.000 1.755 ( 0.000 0.000 0.000) 0.000 1.830 ( 0.000 0.000 0.000) 0.000 1.835 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 1.992 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.096 ( 0.000 0.000 0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.188 ( 0.000 0.000 0.000) 0.000 2.191 ( 0.000 0.000 0.000) 0.000 2.214 ( 0.000 0.000 0.000) 0.000 2.236 ( 0.000 0.000 0.000) 0.000 2.256 ( 0.000 0.000 0.000) 0.000 2.265 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.722 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.836 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 3.021 ( 0.000 0.000 0.000) 0.000 3.077 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.131 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.179 ( 0.000 0.000 0.000) 0.000 3.281 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.456 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.734 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 3.987 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.145 ( 0.000 0.000 0.000) 0.000 4.172 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.315 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.630 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.803 ( 0.000 0.000 0.000) 0.000 4.816 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 5.158 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.432 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.532 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 5.638 ( 0.000 0.000 0.000) 0.000 5.896 ( 0.000 0.000 0.000) 0.000 5.896 ( 0.000 0.000 0.000) 0.000 5.945 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.504 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 6.760 ( 0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.850 ( 0.000 0.000 0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 6.945 ( 0.000 0.000 0.000) 0.000 6.976 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.028 ( 0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.037 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.150 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 0.000) 0.000 7.179 ( 0.000 0.000 0.000) 0.000 7.236 ( 0.000 0.000 0.000) 0.000 7.247 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.262 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000 7.421 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 7.444 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.642 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.681 ( 0.000 0.000 0.000) 0.000 7.725 ( 0.000 0.000 0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 7.739 ( 0.000 0.000 0.000) 0.000 7.742 ( 0.000 0.000 0.000) 0.000 16.566 ( 0.000 0.000 0.000) 0.000 16.582 ( 0.000 0.000 0.000) 0.000 16.611 ( 0.000 0.000 0.000) 0.000 16.639 ( 0.000 0.000 0.000) 0.000 16.870 ( 0.000 0.000 0.000) 0.000 16.892 ( 0.000 0.000 0.000) 0.000 16.896 ( 0.000 0.000 0.000) 0.000 16.907 ( 0.000 0.000 0.000) 0.000 17.062 ( 0.000 0.000 0.000) 0.000 17.062 ( 0.000 0.000 0.000) 0.000 17.079 ( 0.000 0.000 0.000) 0.000 17.097 ( 0.000 0.000 0.000) 0.000 17.326 ( 0.000 0.000 0.000) 0.000 17.336 ( 0.000 0.000 0.000) 0.000 17.375 ( 0.000 0.000 0.000) 0.000 17.388 ( 0.000 0.000 0.000) 0.000 17.727 ( 0.000 0.000 0.000) 0.000 17.734 ( 0.000 0.000 0.000) 0.000 17.782 ( 0.000 0.000 0.000) 0.000 17.909 ( 0.000 0.000 0.000) 0.000 18.202 ( 0.000 0.000 0.000) 0.000 18.215 ( 0.000 0.000 0.000) 0.000 18.246 ( 0.000 0.000 0.000) 0.000 18.299 ( 0.000 0.000 0.000) 0.000 18.303 ( 0.000 0.000 0.000) 0.000 18.307 ( 0.000 0.000 0.000) 0.000 18.465 ( 0.000 0.000 0.000) 0.000 18.475 ( 0.000 0.000 0.000) 0.000 18.639 ( 0.000 0.000 0.000) 0.000 18.669 ( 0.000 0.000 0.000) 0.000 18.699 ( 0.000 0.000 0.000) 0.000 18.719 ( 0.000 0.000 0.000) 0.000 18.814 ( 0.000 0.000 0.000) 0.000 18.818 ( 0.000 0.000 0.000) 0.000 18.843 ( 0.000 0.000 0.000) 0.000 18.888 ( 0.000 0.000 0.000) 0.000 19.289 ( 0.000 0.000 0.000) 0.000 19.295 ( 0.000 0.000 0.000) 0.000 19.324 ( 0.000 0.000 0.000) 0.000 19.338 ( 0.000 0.000 0.000) 0.000 19.956 ( 0.000 0.000 0.000) 0.000 19.966 ( 0.000 0.000 0.000) 0.000 19.985 ( 0.000 0.000 0.000) 0.000 19.997 ( 0.000 0.000 0.000) 0.000 20.224 ( 0.000 0.000 0.000) 0.000 20.242 ( 0.000 0.000 0.000) 0.000 20.397 ( 0.000 0.000 0.000) 0.000 20.426 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.322 ( 15.225 0.000 6.815) 16.681 0.424 ( 20.082 0.000 4.325) 20.542 0.679 ( 12.707 0.000 2.733) 12.997 0.709 ( 23.140 0.000 13.319) 26.699 0.941 ( -8.009 0.000 -3.398) 8.700 0.943 ( 8.299 0.000 0.364) 8.307 1.018 ( 0.759 0.000 -0.724) 1.049 1.084 ( 3.956 0.000 -4.511) 6.000 1.113 ( -2.059 0.000 -2.020) 2.884 1.160 ( -1.067 0.000 2.220) 2.462 1.200 ( -0.071 0.000 0.592) 0.596 1.247 ( 0.952 0.000 3.132) 3.274 1.249 ( -3.506 0.000 2.804) 4.490 1.297 ( -2.075 0.000 0.526) 2.141 1.323 ( 1.509 0.000 4.213) 4.475 1.357 ( -0.134 0.000 6.869) 6.870 1.366 ( 2.343 0.000 0.009) 2.343 1.381 ( -1.968 0.000 0.301) 1.991 1.406 ( 2.983 0.000 -5.403) 6.172 1.440 ( -4.038 0.000 -1.472) 4.298 1.477 ( -2.003 0.000 -0.453) 2.053 1.511 ( -2.500 0.000 0.026) 2.501 1.530 ( 0.603 0.000 0.752) 0.964 1.585 ( 3.726 0.000 0.224) 3.733 1.609 ( -1.339 0.000 2.795) 3.099 1.611 ( -4.386 0.000 2.898) 5.257 1.627 ( 3.845 0.000 -3.583) 5.255 1.673 ( 2.462 0.000 -2.397) 3.436 1.692 ( -3.129 0.000 -0.555) 3.178 1.734 ( -8.047 0.000 -4.736) 9.337 1.751 ( -3.671 0.000 -2.190) 4.275 1.794 ( -1.207 0.000 -2.279) 2.579 1.834 ( 1.559 0.000 -1.005) 1.855 1.861 ( 0.086 0.000 -4.061) 4.062 1.914 ( 1.614 0.000 -0.483) 1.685 1.939 ( -3.854 0.000 -1.174) 4.028 1.976 ( -1.126 0.000 0.427) 1.204 1.996 ( 2.092 0.000 -0.058) 2.093 2.014 ( 0.349 0.000 0.842) 0.911 2.034 ( -0.399 0.000 -0.533) 0.666 2.076 ( -5.778 0.000 -1.630) 6.004 2.090 ( 3.668 0.000 -3.251) 4.901 2.135 ( 3.942 0.000 0.360) 3.959 2.155 ( 2.523 0.000 1.097) 2.752 2.202 ( -0.835 0.000 -0.545) 0.997 2.212 ( -0.099 0.000 -1.459) 1.462 2.212 ( -4.020 0.000 -0.360) 4.037 2.225 ( -0.637 0.000 -1.718) 1.832 2.263 ( 4.377 0.000 4.247) 6.099 2.301 ( 1.170 0.000 -3.773) 3.950 2.318 ( 4.024 0.000 0.714) 4.087 2.367 ( 0.712 0.000 2.037) 2.158 2.427 ( -1.555 0.000 0.361) 1.596 2.437 ( -5.802 0.000 -3.512) 6.782 2.460 ( -0.355 0.000 2.171) 2.200 2.502 ( -1.360 0.000 -2.214) 2.599 2.535 ( -1.030 0.000 2.554) 2.754 2.610 ( 0.955 0.000 0.180) 0.972 2.619 ( -1.818 0.000 -2.821) 3.356 2.667 ( -1.861 0.000 1.772) 2.569 2.687 ( -0.282 0.000 0.447) 0.528 2.691 ( -1.603 0.000 -0.287) 1.629 2.706 ( -2.260 0.000 0.179) 2.267 2.724 ( -1.071 0.000 -1.846) 2.134 2.741 ( 4.227 0.000 3.884) 5.740 2.790 ( 2.909 0.000 3.447) 4.510 2.817 ( -5.240 0.000 0.184) 5.243 2.833 ( -4.149 0.000 4.843) 6.377 2.840 ( -0.170 0.000 -0.515) 0.542 2.858 ( -6.750 0.000 0.791) 6.797 2.942 ( 1.325 0.000 -1.786) 2.224 2.942 ( 0.306 0.000 3.759) 3.771 2.966 ( 0.730 0.000 -0.719) 1.025 2.994 ( 0.232 0.000 2.375) 2.386 3.008 ( 2.429 0.000 4.270) 4.912 3.088 ( -2.347 0.000 -0.577) 2.417 3.114 ( 2.496 0.000 1.770) 3.060 3.159 ( 0.436 0.000 -0.090) 0.445 3.164 ( 2.299 0.000 -1.360) 2.671 3.209 ( 6.484 0.000 1.470) 6.648 3.253 ( -4.159 0.000 -3.103) 5.189 3.290 ( -1.451 0.000 -1.886) 2.380 3.370 ( -3.596 0.000 -1.418) 3.865 3.433 ( -1.975 0.000 -0.769) 2.120 3.452 ( -4.265 0.000 -2.367) 4.878 3.501 ( -0.001 0.000 -0.636) 0.636 3.525 ( -1.718 0.000 -0.840) 1.913 3.537 ( 1.458 0.000 0.747) 1.638 3.611 ( 1.619 0.000 1.680) 2.334 3.671 ( 1.752 0.000 0.755) 1.908 3.682 ( -1.182 0.000 -0.597) 1.324 3.709 ( 0.370 0.000 1.056) 1.119 3.727 ( 0.908 0.000 -0.022) 0.909 3.734 ( 0.998 0.000 -1.055) 1.452 3.766 ( 2.544 0.000 -1.668) 3.042 3.800 ( 0.870 0.000 -0.054) 0.871 3.895 ( 2.448 0.000 2.784) 3.707 3.920 ( 1.296 0.000 0.817) 1.532 3.968 ( 0.878 0.000 0.072) 0.881 3.988 ( 1.302 0.000 -0.758) 1.506 3.999 ( 0.703 0.000 0.018) 0.703 4.002 ( 2.467 0.000 0.322) 2.488 4.021 ( 1.647 0.000 -0.331) 1.680 4.066 ( 0.746 0.000 0.273) 0.794 4.070 ( -0.687 0.000 0.047) 0.688 4.102 ( 1.111 0.000 1.344) 1.744 4.143 ( -1.932 0.000 -1.485) 2.436 4.158 ( -1.042 0.000 0.280) 1.079 4.200 ( 1.089 0.000 0.639) 1.262 4.217 ( -0.611 0.000 -0.958) 1.137 4.253 ( 2.708 0.000 1.559) 3.124 4.278 ( -1.768 0.000 -1.482) 2.307 4.308 ( -1.232 0.000 -0.917) 1.536 4.345 ( -0.695 0.000 0.683) 0.974 4.481 ( -2.778 0.000 -0.518) 2.826 4.497 ( -3.548 0.000 -1.036) 3.696 4.570 ( 2.434 0.000 2.467) 3.465 4.588 ( -2.845 0.000 -0.862) 2.972 4.607 ( 3.378 0.000 3.483) 4.852 4.617 ( -2.166 0.000 -1.418) 2.589 4.682 ( -0.421 0.000 0.102) 0.433 4.742 ( 1.198 0.000 0.505) 1.300 4.801 ( -0.044 0.000 0.606) 0.607 4.820 ( -0.117 0.000 0.750) 0.759 4.839 ( 1.614 0.000 0.413) 1.666 4.864 ( 0.268 0.000 -0.818) 0.861 4.883 ( 2.030 0.000 -1.253) 2.385 4.895 ( 0.192 0.000 -1.993) 2.002 5.114 ( -1.936 0.000 -1.548) 2.479 5.140 ( -1.190 0.000 -0.962) 1.530 5.147 ( -1.110 0.000 -1.251) 1.672 5.176 ( -3.612 0.000 -2.180) 4.219 5.334 ( -5.267 0.000 -2.041) 5.648 5.379 ( 5.488 0.000 4.426) 7.051 5.392 ( -4.794 0.000 -2.369) 5.348 5.415 ( 7.737 0.000 4.393) 8.897 5.539 ( 0.543 0.000 -0.081) 0.549 5.574 ( -0.263 0.000 -0.065) 0.271 5.589 ( -0.032 0.000 -0.571) 0.572 5.636 ( -0.483 0.000 -0.135) 0.502 5.887 ( -0.414 0.000 -0.554) 0.692 5.926 ( 2.305 0.000 0.943) 2.490 5.940 ( -1.532 0.000 -0.968) 1.812 5.982 ( 2.760 0.000 1.353) 3.074 6.496 ( 0.025 0.000 0.278) 0.280 6.511 ( 0.525 0.000 0.008) 0.525 6.639 ( -0.312 0.000 -0.095) 0.326 6.664 ( -1.906 0.000 -0.639) 2.010 6.730 ( 2.685 0.000 1.100) 2.902 6.748 ( -0.900 0.000 -1.158) 1.466 6.784 ( -3.094 0.000 -1.347) 3.374 6.785 ( 1.586 0.000 1.519) 2.197 6.874 ( 2.317 0.000 0.838) 2.464 6.922 ( -1.525 0.000 -0.927) 1.784 6.934 ( 1.212 0.000 0.494) 1.309 6.965 ( -1.965 0.000 -1.387) 2.405 6.971 ( -0.091 0.000 0.248) 0.265 7.028 ( -1.123 0.000 -0.539) 1.246 7.043 ( 0.975 0.000 0.501) 1.096 7.065 ( 1.305 0.000 0.663) 1.464 7.146 ( -0.294 0.000 0.237) 0.378 7.157 ( -0.086 0.000 -0.005) 0.086 7.161 ( -0.170 0.000 1.953) 1.960 7.183 ( 0.281 0.000 0.490) 0.565 7.239 ( 0.311 0.000 -0.033) 0.313 7.247 ( 0.054 0.000 -0.093) 0.107 7.255 ( -0.311 0.000 -0.606) 0.681 7.260 ( -0.216 0.000 -0.435) 0.486 7.414 ( -0.127 0.000 -0.010) 0.128 7.431 ( -0.154 0.000 -0.142) 0.209 7.438 ( 0.043 0.000 0.042) 0.060 7.443 ( -0.048 0.000 0.011) 0.050 7.638 ( 0.014 0.000 -0.014) 0.020 7.645 ( 0.177 0.000 0.125) 0.217 7.669 ( 0.176 0.000 0.146) 0.228 7.681 ( -0.005 0.000 0.032) 0.033 7.727 ( 0.094 0.000 0.003) 0.094 7.728 ( 0.023 0.000 0.099) 0.102 7.736 ( -0.255 0.000 -0.087) 0.269 7.738 ( -0.293 0.000 -0.104) 0.310 16.566 ( 0.056 0.000 -0.184) 0.192 16.580 ( -0.102 0.000 -0.068) 0.122 16.640 ( 0.114 0.000 -0.266) 0.289 16.640 ( 0.777 0.000 -0.915) 1.201 16.863 ( -0.522 0.000 -0.184) 0.554 16.893 ( -0.242 0.000 -0.313) 0.396 16.906 ( 1.197 0.000 0.051) 1.198 17.001 ( -0.744 0.000 -0.679) 1.007 17.067 ( 0.518 0.000 0.117) 0.531 17.095 ( -0.163 0.000 0.211) 0.266 17.108 ( 2.160 0.000 1.184) 2.463 17.153 ( -1.375 0.000 -0.600) 1.500 17.316 ( -1.831 0.000 0.349) 1.864 17.324 ( -1.141 0.000 0.104) 1.146 17.353 ( -2.580 0.000 -1.232) 2.859 17.396 ( 0.250 0.000 1.215) 1.241 17.764 ( 3.160 0.000 0.278) 3.173 17.769 ( 2.874 0.000 -0.006) 2.874 17.812 ( 2.231 0.000 1.884) 2.920 17.886 ( -1.886 0.000 -0.874) 2.079 18.204 ( -0.049 0.000 -0.048) 0.069 18.206 ( -3.156 0.000 -1.854) 3.660 18.218 ( -0.074 0.000 -2.347) 2.348 18.244 ( -4.003 0.000 -2.146) 4.542 18.329 ( 2.349 0.000 0.778) 2.474 18.347 ( 2.789 0.000 2.520) 3.759 18.456 ( -0.511 0.000 0.481) 0.702 18.482 ( -0.421 0.000 1.361) 1.425 18.638 ( -0.184 0.000 -0.332) 0.379 18.668 ( -0.730 0.000 -0.794) 1.079 18.705 ( 0.753 0.000 -0.389) 0.848 18.726 ( 0.921 0.000 -2.849) 2.994 18.792 ( -1.459 0.000 -0.764) 1.647 18.846 ( -2.935 0.000 -1.635) 3.360 18.851 ( 3.241 0.000 3.018) 4.429 18.923 ( 5.137 0.000 4.750) 6.997 19.232 ( -3.953 0.000 -2.714) 4.795 19.249 ( -3.578 0.000 -3.578) 5.060 19.359 ( 2.259 0.000 1.586) 2.760 19.371 ( 2.307 0.000 1.206) 2.603 19.960 ( -0.040 0.000 -1.210) 1.210 19.994 ( 2.534 0.000 2.217) 3.367 20.004 ( -1.262 0.000 -3.145) 3.389 20.030 ( 2.283 0.000 2.608) 3.466 20.201 ( -1.718 0.000 -1.766) 2.464 20.229 ( -0.891 0.000 -1.049) 1.376 20.401 ( 0.250 0.000 0.275) 0.372 20.422 ( -0.549 0.000 0.338) 0.645 ======================= Grid point 2 (3/30) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 0.000 0.000 0.000) 0.000 0.694 ( 0.000 0.000 -0.000) 0.000 0.776 ( 0.000 0.000 0.000) 0.000 0.797 ( -0.000 0.000 -0.000) 0.000 0.910 ( 0.000 0.000 -0.000) 0.000 0.924 ( -0.000 0.000 -0.000) 0.000 1.083 ( 0.000 0.000 0.000) 0.000 1.096 ( 0.000 0.000 0.000) 0.000 1.141 ( -0.000 0.000 -0.000) 0.000 1.160 ( 0.000 0.000 -0.000) 0.000 1.183 ( 0.000 0.000 -0.000) 0.000 1.252 ( 0.000 0.000 -0.000) 0.000 1.257 ( 0.000 0.000 0.000) 0.000 1.330 ( 0.000 0.000 -0.000) 0.000 1.333 ( 0.000 0.000 0.000) 0.000 1.383 ( -0.000 0.000 -0.000) 0.000 1.398 ( 0.000 0.000 -0.000) 0.000 1.407 ( 0.000 0.000 0.000) 0.000 1.413 ( 0.000 0.000 0.000) 0.000 1.414 ( 0.000 0.000 -0.000) 0.000 1.471 ( -0.000 0.000 -0.000) 0.000 1.472 ( 0.000 0.000 0.000) 0.000 1.504 ( -0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 -0.000) 0.000 1.542 ( -0.000 0.000 0.000) 0.000 1.568 ( 0.000 0.000 -0.000) 0.000 1.650 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 -0.000) 0.000 1.666 ( 0.000 0.000 -0.000) 0.000 1.694 ( 0.000 0.000 -0.000) 0.000 1.768 ( 0.000 0.000 -0.000) 0.000 1.789 ( 0.000 0.000 -0.000) 0.000 1.839 ( 0.000 0.000 -0.000) 0.000 1.875 ( 0.000 0.000 -0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 1.962 ( 0.000 0.000 -0.000) 0.000 2.036 ( 0.000 0.000 -0.000) 0.000 2.049 ( 0.000 0.000 -0.000) 0.000 2.074 ( 0.000 0.000 -0.000) 0.000 2.085 ( -0.000 0.000 0.000) 0.000 2.151 ( -0.000 0.000 -0.000) 0.000 2.160 ( 0.000 0.000 0.000) 0.000 2.192 ( 0.000 0.000 -0.000) 0.000 2.200 ( 0.000 0.000 -0.000) 0.000 2.222 ( 0.000 0.000 -0.000) 0.000 2.253 ( 0.000 0.000 -0.000) 0.000 2.304 ( 0.000 0.000 -0.000) 0.000 2.319 ( 0.000 0.000 -0.000) 0.000 2.326 ( 0.000 0.000 -0.000) 0.000 2.376 ( 0.000 0.000 -0.000) 0.000 2.428 ( 0.000 0.000 0.000) 0.000 2.440 ( 0.000 0.000 0.000) 0.000 2.455 ( -0.000 0.000 -0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 -0.000) 0.000 2.527 ( -0.000 0.000 -0.000) 0.000 2.604 ( 0.000 0.000 -0.000) 0.000 2.635 ( 0.000 0.000 -0.000) 0.000 2.656 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 -0.000) 0.000 2.716 ( 0.000 0.000 -0.000) 0.000 2.749 ( -0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 -0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 -0.000) 0.000 2.836 ( -0.000 0.000 0.000) 0.000 2.933 ( 0.000 0.000 -0.000) 0.000 2.968 ( 0.000 0.000 -0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 2.988 ( -0.000 0.000 -0.000) 0.000 3.055 ( 0.000 0.000 -0.000) 0.000 3.058 ( 0.000 0.000 -0.000) 0.000 3.159 ( 0.000 0.000 -0.000) 0.000 3.160 ( 0.000 0.000 -0.000) 0.000 3.209 ( 0.000 0.000 -0.000) 0.000 3.216 ( -0.000 0.000 -0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 -0.000) 0.000 3.352 ( -0.000 0.000 -0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 -0.000) 0.000 3.495 ( 0.000 0.000 -0.000) 0.000 3.498 ( 0.000 0.000 -0.000) 0.000 3.540 ( 0.000 0.000 -0.000) 0.000 3.646 ( 0.000 0.000 -0.000) 0.000 3.666 ( 0.000 0.000 -0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 -0.000) 0.000 3.736 ( 0.000 0.000 -0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 -0.000) 0.000 3.799 ( -0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 -0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 3.971 ( 0.000 0.000 -0.000) 0.000 3.993 ( -0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 -0.000) 0.000 4.041 ( 0.000 0.000 -0.000) 0.000 4.043 ( 0.000 0.000 -0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 -0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 -0.000) 0.000 4.128 ( 0.000 0.000 -0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.227 ( -0.000 0.000 -0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.262 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 -0.000) 0.000 4.322 ( 0.000 0.000 -0.000) 0.000 4.458 ( 0.000 0.000 -0.000) 0.000 4.466 ( 0.000 0.000 -0.000) 0.000 4.547 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 -0.000) 0.000 4.614 ( -0.000 0.000 -0.000) 0.000 4.681 ( 0.000 0.000 -0.000) 0.000 4.681 ( 0.000 0.000 -0.000) 0.000 4.755 ( 0.000 0.000 -0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 4.865 ( 0.000 0.000 0.000) 0.000 4.883 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 -0.000) 0.000 5.067 ( 0.000 0.000 -0.000) 0.000 5.095 ( 0.000 0.000 -0.000) 0.000 5.122 ( 0.000 0.000 -0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 -0.000) 0.000 5.327 ( 0.000 0.000 -0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 -0.000) 0.000 5.545 ( 0.000 0.000 -0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 5.611 ( -0.000 0.000 -0.000) 0.000 5.882 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 -0.000) 0.000 5.962 ( 0.000 0.000 -0.000) 0.000 6.022 ( 0.000 0.000 -0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 -0.000) 0.000 6.634 ( 0.000 0.000 -0.000) 0.000 6.635 ( -0.000 0.000 0.000) 0.000 6.740 ( -0.000 0.000 0.000) 0.000 6.743 ( 0.000 0.000 -0.000) 0.000 6.770 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 -0.000) 0.000 6.899 ( 0.000 0.000 -0.000) 0.000 6.912 ( 0.000 0.000 -0.000) 0.000 6.929 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 -0.000) 0.000 6.987 ( 0.000 0.000 -0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 -0.000) 0.000 7.081 ( 0.000 0.000 -0.000) 0.000 7.144 ( 0.000 0.000 -0.000) 0.000 7.155 ( 0.000 0.000 -0.000) 0.000 7.165 ( 0.000 0.000 -0.000) 0.000 7.189 ( 0.000 0.000 -0.000) 0.000 7.245 ( 0.000 0.000 0.000) 0.000 7.246 ( 0.000 0.000 -0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.255 ( 0.000 0.000 -0.000) 0.000 7.412 ( 0.000 0.000 -0.000) 0.000 7.429 ( 0.000 0.000 -0.000) 0.000 7.438 ( 0.000 0.000 -0.000) 0.000 7.442 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 -0.000) 0.000 7.647 ( 0.000 0.000 -0.000) 0.000 7.672 ( 0.000 0.000 -0.000) 0.000 7.681 ( 0.000 0.000 0.000) 0.000 7.728 ( -0.000 0.000 0.000) 0.000 7.728 ( 0.000 0.000 -0.000) 0.000 7.732 ( 0.000 0.000 -0.000) 0.000 7.734 ( 0.000 0.000 -0.000) 0.000 16.566 ( 0.000 0.000 -0.000) 0.000 16.579 ( 0.000 0.000 -0.000) 0.000 16.641 ( 0.000 0.000 -0.000) 0.000 16.647 ( 0.000 0.000 -0.000) 0.000 16.856 ( 0.000 0.000 -0.000) 0.000 16.888 ( 0.000 0.000 -0.000) 0.000 16.924 ( 0.000 0.000 -0.000) 0.000 16.987 ( 0.000 0.000 -0.000) 0.000 17.075 ( 0.000 0.000 -0.000) 0.000 17.095 ( 0.000 0.000 -0.000) 0.000 17.132 ( 0.000 0.000 -0.000) 0.000 17.143 ( 0.000 0.000 -0.000) 0.000 17.299 ( 0.000 0.000 -0.000) 0.000 17.299 ( 0.000 0.000 -0.000) 0.000 17.322 ( 0.000 0.000 -0.000) 0.000 17.399 ( 0.000 0.000 -0.000) 0.000 17.806 ( 0.000 0.000 -0.000) 0.000 17.827 ( -0.000 0.000 -0.000) 0.000 17.838 ( 0.000 0.000 0.000) 0.000 17.851 ( 0.000 0.000 -0.000) 0.000 18.153 ( 0.000 0.000 0.000) 0.000 18.193 ( 0.000 0.000 -0.000) 0.000 18.204 ( 0.000 0.000 -0.000) 0.000 18.207 ( 0.000 0.000 0.000) 0.000 18.367 ( 0.000 0.000 -0.000) 0.000 18.395 ( 0.000 0.000 0.000) 0.000 18.452 ( 0.000 0.000 0.000) 0.000 18.478 ( 0.000 0.000 -0.000) 0.000 18.631 ( 0.000 0.000 0.000) 0.000 18.646 ( 0.000 0.000 -0.000) 0.000 18.714 ( 0.000 0.000 0.000) 0.000 18.727 ( 0.000 0.000 -0.000) 0.000 18.784 ( -0.000 0.000 -0.000) 0.000 18.799 ( 0.000 0.000 0.000) 0.000 18.912 ( 0.000 0.000 -0.000) 0.000 19.016 ( 0.000 0.000 -0.000) 0.000 19.171 ( -0.000 0.000 -0.000) 0.000 19.172 ( 0.000 0.000 0.000) 0.000 19.391 ( 0.000 0.000 -0.000) 0.000 19.404 ( 0.000 0.000 -0.000) 0.000 19.962 ( -0.000 0.000 -0.000) 0.000 19.972 ( 0.000 0.000 -0.000) 0.000 20.034 ( 0.000 0.000 0.000) 0.000 20.075 ( 0.000 0.000 -0.000) 0.000 20.165 ( 0.000 0.000 -0.000) 0.000 20.212 ( 0.000 0.000 -0.000) 0.000 20.406 ( 0.000 0.000 -0.000) 0.000 20.415 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 5 (4/30) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.226 ( 0.000 9.972 0.000) 9.972 0.335 ( 0.000 14.609 0.000) 14.609 0.508 ( 0.000 7.966 0.000) 7.966 0.579 ( 0.000 12.619 0.000) 12.619 0.799 ( 0.000 -5.771 0.000) 5.771 0.929 ( 0.000 2.637 0.000) 2.637 0.981 ( 0.000 0.202 0.000) 0.202 1.081 ( 0.000 2.552 0.000) 2.552 1.156 ( 0.000 -3.134 0.000) 3.134 1.203 ( 0.000 -1.617 0.000) 1.617 1.229 ( 0.000 -3.594 0.000) 3.594 1.255 ( 0.000 -0.552 0.000) 0.552 1.258 ( 0.000 3.113 0.000) 3.113 1.263 ( 0.000 -4.587 0.000) 4.587 1.330 ( 0.000 -1.032 0.000) 1.032 1.330 ( 0.000 2.958 0.000) 2.958 1.371 ( 0.000 -0.433 0.000) 0.433 1.378 ( 0.000 -0.092 0.000) 0.092 1.452 ( 0.000 -3.034 0.000) 3.034 1.455 ( 0.000 0.799 0.000) 0.799 1.489 ( 0.000 1.489 0.000) 1.489 1.493 ( 0.000 -2.392 0.000) 2.392 1.508 ( 0.000 -2.192 0.000) 2.192 1.543 ( 0.000 -0.615 0.000) 0.615 1.584 ( 0.000 -0.450 0.000) 0.450 1.590 ( 0.000 -0.691 0.000) 0.691 1.637 ( 0.000 -0.217 0.000) 0.217 1.656 ( 0.000 -1.181 0.000) 1.181 1.681 ( 0.000 -1.254 0.000) 1.254 1.695 ( 0.000 -4.361 0.000) 4.361 1.822 ( 0.000 -0.200 0.000) 0.200 1.834 ( 0.000 -0.334 0.000) 0.334 1.882 ( 0.000 0.473 0.000) 0.473 1.895 ( 0.000 0.304 0.000) 0.304 1.932 ( 0.000 -0.932 0.000) 0.932 1.954 ( 0.000 3.427 0.000) 3.427 1.986 ( 0.000 0.259 0.000) 0.259 1.990 ( 0.000 -2.455 0.000) 2.455 2.034 ( 0.000 0.794 0.000) 0.794 2.101 ( 0.000 1.853 0.000) 1.853 2.106 ( 0.000 2.010 0.000) 2.010 2.107 ( 0.000 1.373 0.000) 1.373 2.147 ( 0.000 0.002 0.000) 0.002 2.166 ( 0.000 -2.593 0.000) 2.593 2.177 ( 0.000 1.210 0.000) 1.210 2.194 ( 0.000 -0.036 0.000) 0.036 2.212 ( 0.000 1.411 0.000) 1.411 2.237 ( 0.000 0.629 0.000) 0.629 2.246 ( 0.000 -1.064 0.000) 1.064 2.262 ( 0.000 0.547 0.000) 0.547 2.289 ( 0.000 -0.674 0.000) 0.674 2.354 ( 0.000 3.064 0.000) 3.064 2.421 ( 0.000 -1.927 0.000) 1.927 2.478 ( 0.000 -2.947 0.000) 2.947 2.498 ( 0.000 0.705 0.000) 0.705 2.539 ( 0.000 -1.261 0.000) 1.261 2.584 ( 0.000 3.108 0.000) 3.108 2.609 ( 0.000 -2.036 0.000) 2.036 2.617 ( 0.000 -0.372 0.000) 0.372 2.652 ( 0.000 -0.652 0.000) 0.652 2.653 ( 0.000 1.776 0.000) 1.776 2.704 ( 0.000 2.717 0.000) 2.717 2.704 ( 0.000 -0.540 0.000) 0.540 2.732 ( 0.000 1.277 0.000) 1.277 2.763 ( 0.000 -0.393 0.000) 0.393 2.806 ( 0.000 -0.910 0.000) 0.910 2.828 ( 0.000 -1.981 0.000) 1.981 2.842 ( 0.000 -0.050 0.000) 0.050 2.888 ( 0.000 0.808 0.000) 0.808 2.890 ( 0.000 -0.013 0.000) 0.013 2.899 ( 0.000 0.606 0.000) 0.606 2.928 ( 0.000 -1.078 0.000) 1.078 2.962 ( 0.000 -0.697 0.000) 0.697 2.966 ( 0.000 0.944 0.000) 0.944 3.009 ( 0.000 -0.717 0.000) 0.717 3.046 ( 0.000 -1.749 0.000) 1.749 3.117 ( 0.000 0.336 0.000) 0.336 3.129 ( 0.000 -0.470 0.000) 0.470 3.149 ( 0.000 1.121 0.000) 1.121 3.177 ( 0.000 -0.201 0.000) 0.201 3.297 ( 0.000 1.339 0.000) 1.339 3.350 ( 0.000 -0.905 0.000) 0.905 3.441 ( 0.000 -0.224 0.000) 0.224 3.452 ( 0.000 -0.404 0.000) 0.404 3.463 ( 0.000 0.765 0.000) 0.765 3.499 ( 0.000 -0.400 0.000) 0.400 3.529 ( 0.000 -0.006 0.000) 0.006 3.538 ( 0.000 -0.138 0.000) 0.138 3.614 ( 0.000 1.146 0.000) 1.146 3.642 ( 0.000 0.116 0.000) 0.116 3.681 ( 0.000 -1.084 0.000) 1.084 3.687 ( 0.000 -1.028 0.000) 1.028 3.731 ( 0.000 0.695 0.000) 0.695 3.731 ( 0.000 0.516 0.000) 0.516 3.737 ( 0.000 0.410 0.000) 0.410 3.769 ( 0.000 -0.712 0.000) 0.712 3.885 ( 0.000 0.305 0.000) 0.305 3.892 ( 0.000 -0.444 0.000) 0.444 3.950 ( 0.000 -0.203 0.000) 0.203 3.953 ( 0.000 -1.279 0.000) 1.279 3.962 ( 0.000 0.246 0.000) 0.246 3.969 ( 0.000 0.131 0.000) 0.131 4.010 ( 0.000 1.431 0.000) 1.431 4.029 ( 0.000 1.081 0.000) 1.081 4.072 ( 0.000 0.640 0.000) 0.640 4.099 ( 0.000 -0.417 0.000) 0.417 4.148 ( 0.000 0.313 0.000) 0.313 4.168 ( 0.000 -0.350 0.000) 0.350 4.191 ( 0.000 -0.161 0.000) 0.161 4.195 ( 0.000 -0.429 0.000) 0.429 4.238 ( 0.000 1.148 0.000) 1.148 4.292 ( 0.000 -0.984 0.000) 0.984 4.328 ( 0.000 0.403 0.000) 0.403 4.345 ( 0.000 -0.194 0.000) 0.194 4.531 ( 0.000 0.359 0.000) 0.359 4.542 ( 0.000 0.273 0.000) 0.273 4.553 ( 0.000 -0.401 0.000) 0.401 4.563 ( 0.000 -0.588 0.000) 0.588 4.635 ( 0.000 0.447 0.000) 0.447 4.646 ( 0.000 0.266 0.000) 0.266 4.683 ( 0.000 0.091 0.000) 0.091 4.692 ( 0.000 -0.183 0.000) 0.183 4.811 ( 0.000 0.536 0.000) 0.536 4.818 ( 0.000 0.275 0.000) 0.275 4.836 ( 0.000 -0.413 0.000) 0.413 4.847 ( 0.000 -0.712 0.000) 0.712 4.871 ( 0.000 0.541 0.000) 0.541 4.895 ( 0.000 -0.437 0.000) 0.437 5.164 ( 0.000 0.458 0.000) 0.458 5.182 ( 0.000 -0.212 0.000) 0.212 5.185 ( 0.000 0.062 0.000) 0.062 5.201 ( 0.000 -0.515 0.000) 0.515 5.250 ( 0.000 0.227 0.000) 0.227 5.263 ( 0.000 -0.243 0.000) 0.243 5.436 ( 0.000 0.153 0.000) 0.153 5.436 ( 0.000 0.258 0.000) 0.258 5.536 ( 0.000 0.406 0.000) 0.406 5.571 ( 0.000 -0.740 0.000) 0.740 5.603 ( 0.000 0.788 0.000) 0.788 5.634 ( 0.000 -0.398 0.000) 0.398 5.890 ( 0.000 -0.416 0.000) 0.416 5.890 ( 0.000 -0.388 0.000) 0.388 5.953 ( 0.000 0.592 0.000) 0.592 5.966 ( 0.000 0.067 0.000) 0.067 6.496 ( 0.000 0.056 0.000) 0.056 6.504 ( 0.000 -0.209 0.000) 0.209 6.649 ( 0.000 0.560 0.000) 0.560 6.678 ( 0.000 -0.491 0.000) 0.491 6.702 ( 0.000 0.664 0.000) 0.664 6.745 ( 0.000 -1.055 0.000) 1.055 6.804 ( 0.000 1.114 0.000) 1.114 6.811 ( 0.000 0.257 0.000) 0.257 6.848 ( 0.000 -0.038 0.000) 0.038 6.888 ( 0.000 -1.022 0.000) 1.022 6.955 ( 0.000 0.857 0.000) 0.857 6.980 ( 0.000 0.271 0.000) 0.271 7.001 ( 0.000 -0.138 0.000) 0.138 7.025 ( 0.000 -0.663 0.000) 0.663 7.030 ( 0.000 0.018 0.000) 0.018 7.036 ( 0.000 -0.153 0.000) 0.153 7.143 ( 0.000 0.225 0.000) 0.225 7.155 ( 0.000 0.430 0.000) 0.430 7.161 ( 0.000 -0.423 0.000) 0.423 7.176 ( 0.000 -0.326 0.000) 0.326 7.238 ( 0.000 0.128 0.000) 0.128 7.245 ( 0.000 -0.137 0.000) 0.137 7.261 ( 0.000 0.012 0.000) 0.012 7.262 ( 0.000 -0.010 0.000) 0.010 7.416 ( 0.000 0.057 0.000) 0.057 7.420 ( 0.000 -0.091 0.000) 0.091 7.438 ( 0.000 0.095 0.000) 0.095 7.443 ( 0.000 -0.075 0.000) 0.075 7.638 ( 0.000 0.039 0.000) 0.039 7.641 ( 0.000 -0.070 0.000) 0.070 7.669 ( 0.000 0.223 0.000) 0.223 7.679 ( 0.000 -0.172 0.000) 0.172 7.725 ( 0.000 0.018 0.000) 0.018 7.727 ( 0.000 -0.026 0.000) 0.026 7.740 ( 0.000 0.041 0.000) 0.041 7.742 ( 0.000 -0.040 0.000) 0.040 16.570 ( 0.000 0.412 0.000) 0.412 16.592 ( 0.000 0.823 0.000) 0.823 16.602 ( 0.000 -0.754 0.000) 0.754 16.632 ( 0.000 -0.656 0.000) 0.656 16.874 ( 0.000 0.370 0.000) 0.370 16.894 ( 0.000 -0.020 0.000) 0.020 16.898 ( 0.000 -0.181 0.000) 0.181 16.905 ( 0.000 -0.119 0.000) 0.119 17.064 ( 0.000 0.273 0.000) 0.273 17.069 ( 0.000 0.518 0.000) 0.518 17.079 ( 0.000 -0.218 0.000) 0.218 17.093 ( 0.000 -0.383 0.000) 0.383 17.327 ( 0.000 0.140 0.000) 0.140 17.335 ( 0.000 -0.241 0.000) 0.241 17.378 ( 0.000 0.225 0.000) 0.225 17.386 ( 0.000 -0.153 0.000) 0.153 17.731 ( 0.000 0.613 0.000) 0.613 17.764 ( 0.000 2.314 0.000) 2.314 17.773 ( 0.000 -0.810 0.000) 0.810 17.885 ( 0.000 -2.148 0.000) 2.148 18.202 ( 0.000 0.036 0.000) 0.036 18.212 ( 0.000 -0.284 0.000) 0.284 18.261 ( 0.000 0.484 0.000) 0.484 18.291 ( 0.000 -0.651 0.000) 0.651 18.301 ( 0.000 -0.151 0.000) 0.151 18.304 ( 0.000 -0.262 0.000) 0.262 18.476 ( 0.000 0.770 0.000) 0.770 18.483 ( 0.000 0.513 0.000) 0.513 18.644 ( 0.000 0.432 0.000) 0.432 18.665 ( 0.000 -0.382 0.000) 0.382 18.701 ( 0.000 0.236 0.000) 0.236 18.720 ( 0.000 -0.457 0.000) 0.457 18.811 ( 0.000 0.131 0.000) 0.131 18.832 ( 0.000 0.861 0.000) 0.861 18.837 ( 0.000 -0.556 0.000) 0.556 18.876 ( 0.000 -0.962 0.000) 0.962 19.290 ( 0.000 0.110 0.000) 0.110 19.296 ( 0.000 -0.102 0.000) 0.102 19.326 ( 0.000 0.154 0.000) 0.154 19.335 ( 0.000 -0.197 0.000) 0.197 19.967 ( 0.000 0.301 0.000) 0.301 19.970 ( 0.000 0.360 0.000) 0.360 19.982 ( 0.000 -0.263 0.000) 0.263 19.992 ( 0.000 -0.436 0.000) 0.436 20.234 ( 0.000 0.881 0.000) 0.881 20.286 ( 0.000 -1.057 0.000) 1.057 20.404 ( 0.000 0.485 0.000) 0.485 20.423 ( 0.000 -0.269 0.000) 0.269 ======================= Grid point 6 (5/30) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 10.746 8.133 6.833) 15.110 0.558 ( 12.455 9.515 4.774) 16.384 0.672 ( 8.098 -1.124 5.627) 9.925 0.807 ( 19.583 8.002 6.218) 22.050 0.922 ( 7.397 -1.593 -0.458) 7.581 0.949 ( -4.198 0.536 -1.890) 4.635 1.012 ( 1.904 -2.121 -1.771) 3.356 1.046 ( 5.398 -0.159 -1.438) 5.588 1.139 ( -2.280 -0.971 -2.733) 3.689 1.155 ( -5.899 -1.368 -1.654) 6.277 1.211 ( -0.585 1.218 0.057) 1.352 1.229 ( 1.077 -1.245 2.922) 3.354 1.236 ( -1.080 -0.547 1.349) 1.813 1.288 ( -1.745 -0.445 5.346) 5.642 1.321 ( -1.907 -1.254 0.064) 2.283 1.326 ( 1.483 0.102 2.934) 3.289 1.367 ( -1.942 -1.920 -1.957) 3.360 1.377 ( 3.535 0.776 0.140) 3.622 1.417 ( -1.407 -0.456 -0.986) 1.778 1.436 ( -0.188 1.228 1.513) 1.958 1.479 ( -3.077 0.387 1.991) 3.685 1.509 ( 0.100 -0.522 1.315) 1.418 1.549 ( 0.768 0.368 -1.009) 1.320 1.569 ( -0.849 -0.626 0.855) 1.358 1.605 ( 0.240 -0.521 0.936) 1.098 1.613 ( -2.508 -1.224 0.200) 2.798 1.618 ( 1.501 -0.271 -0.455) 1.592 1.659 ( 6.170 0.313 -1.981) 6.488 1.716 ( -8.000 -0.742 -4.603) 9.260 1.722 ( -0.196 -0.896 -0.396) 0.999 1.728 ( 3.907 -1.637 -3.588) 5.551 1.789 ( -4.168 0.973 -2.207) 4.816 1.806 ( -0.013 -0.452 1.431) 1.500 1.866 ( 0.413 -0.640 -1.746) 1.905 1.911 ( -1.645 0.281 -0.811) 1.856 1.932 ( -1.597 -1.296 -0.288) 2.077 1.965 ( -0.194 0.634 -1.360) 1.513 1.991 ( -1.936 -0.197 -0.111) 1.949 2.029 ( 1.110 1.385 -0.481) 1.839 2.057 ( -1.575 1.829 -2.088) 3.192 2.082 ( -0.462 0.656 -1.943) 2.102 2.109 ( -1.570 1.052 -1.234) 2.257 2.140 ( 1.244 0.129 0.417) 1.318 2.171 ( 0.267 -1.126 -4.440) 4.589 2.180 ( -0.161 -1.106 0.874) 1.419 2.211 ( 1.175 0.214 -2.105) 2.420 2.222 ( 1.377 1.835 1.096) 2.542 2.245 ( 1.196 1.404 -0.015) 1.844 2.282 ( 1.880 0.433 2.622) 3.255 2.286 ( 1.461 0.018 -0.041) 1.461 2.341 ( 3.092 -1.727 1.880) 4.010 2.357 ( 0.259 1.946 -0.478) 2.021 2.415 ( -1.690 -1.708 -0.449) 2.445 2.432 ( -1.521 0.180 0.741) 1.701 2.459 ( -2.986 -0.114 -2.303) 3.772 2.486 ( -3.377 -1.269 0.794) 3.694 2.558 ( -1.931 -0.001 1.184) 2.265 2.595 ( -1.189 -0.726 -0.628) 1.528 2.612 ( -1.259 -1.483 -2.814) 3.421 2.618 ( -1.305 -0.283 -1.723) 2.180 2.673 ( -0.179 1.338 1.446) 1.978 2.693 ( -2.042 -0.979 -0.267) 2.280 2.701 ( -0.022 -0.903 1.729) 1.951 2.718 ( -2.588 -0.782 0.238) 2.714 2.752 ( -0.615 0.061 1.830) 1.932 2.785 ( -0.039 -0.248 0.898) 0.933 2.820 ( -3.550 0.321 0.441) 3.591 2.837 ( -2.755 0.056 3.186) 4.212 2.854 ( -2.205 0.994 1.292) 2.742 2.873 ( -3.242 0.929 0.766) 3.459 2.924 ( -0.142 -0.753 -0.880) 1.167 2.946 ( 2.912 0.044 0.616) 2.977 2.973 ( 1.241 0.491 0.191) 1.348 2.994 ( 2.594 -0.294 2.327) 3.497 3.025 ( 1.870 0.840 3.548) 4.098 3.064 ( 1.301 -1.477 1.996) 2.804 3.124 ( -1.001 0.883 -0.531) 1.436 3.161 ( 0.359 0.207 0.411) 0.584 3.182 ( 2.730 0.892 -1.089) 3.072 3.209 ( 6.292 -0.092 0.991) 6.370 3.243 ( -3.509 -0.333 -2.724) 4.455 3.276 ( -0.997 -1.029 -1.411) 2.011 3.386 ( -4.217 1.266 -1.870) 4.783 3.436 ( -2.387 0.006 -1.337) 2.736 3.458 ( -4.042 0.598 -1.486) 4.348 3.505 ( 0.581 0.184 -0.133) 0.623 3.514 ( -1.982 -0.816 -1.080) 2.400 3.531 ( 1.201 -0.485 0.453) 1.372 3.625 ( 1.194 1.052 1.642) 2.287 3.666 ( 1.112 -0.750 1.134) 1.757 3.674 ( 0.200 -0.004 -0.092) 0.220 3.703 ( 1.141 -1.247 -0.407) 1.739 3.724 ( -0.056 0.997 0.417) 1.082 3.746 ( 0.718 0.271 -0.218) 0.798 3.773 ( 2.612 0.565 -1.482) 3.055 3.799 ( 1.325 -0.230 -0.595) 1.470 3.898 ( 1.606 0.192 2.494) 2.973 3.911 ( 1.305 -0.571 1.054) 1.772 3.977 ( 1.532 0.209 0.256) 1.568 3.980 ( 1.973 0.027 0.151) 1.979 3.993 ( 2.263 -0.308 0.285) 2.302 4.016 ( 0.347 0.825 -0.306) 0.946 4.019 ( 1.819 -0.272 -0.702) 1.969 4.059 ( 1.013 -0.724 0.848) 1.506 4.079 ( 0.480 0.694 0.313) 0.900 4.102 ( 0.993 -0.117 1.022) 1.430 4.127 ( -1.452 -1.187 -0.166) 1.883 4.137 ( -2.091 -0.579 -1.438) 2.603 4.204 ( 1.453 0.294 0.541) 1.578 4.215 ( 0.120 0.069 -0.503) 0.522 4.249 ( 1.887 -0.216 0.691) 2.021 4.267 ( -1.694 -0.722 -0.770) 1.996 4.322 ( -1.076 0.805 -0.822) 1.576 4.343 ( -0.748 -0.197 0.546) 0.947 4.483 ( -2.882 0.188 -0.543) 2.938 4.494 ( -3.402 -0.225 -0.814) 3.505 4.568 ( 1.046 0.106 1.587) 1.903 4.592 ( 1.125 -0.204 1.420) 1.823 4.607 ( -0.558 0.158 0.540) 0.793 4.617 ( -0.992 0.017 -0.503) 1.113 4.686 ( 0.145 0.510 0.875) 1.023 4.726 ( 1.450 -1.021 1.766) 2.503 4.805 ( -0.092 0.286 1.088) 1.129 4.817 ( -0.242 -0.208 1.025) 1.073 4.844 ( 1.792 0.524 -0.532) 1.941 4.868 ( 0.206 0.392 -1.000) 1.093 4.878 ( 1.961 -0.568 -1.431) 2.493 4.890 ( 0.180 -0.433 -1.739) 1.801 5.114 ( -1.896 0.107 -1.517) 2.431 5.133 ( -1.520 -0.589 -1.244) 2.050 5.153 ( -1.402 0.477 -1.187) 1.898 5.174 ( -2.892 -0.241 -1.702) 3.364 5.340 ( -5.060 0.597 -2.001) 5.474 5.377 ( -0.549 -0.569 0.388) 0.881 5.390 ( 1.680 0.275 1.792) 2.472 5.412 ( 6.776 -0.292 4.021) 7.884 5.543 ( 0.487 0.395 -0.039) 0.628 5.569 ( -0.110 -0.499 -0.041) 0.513 5.598 ( -0.166 0.795 -0.504) 0.955 5.631 ( -0.475 -0.432 -0.201) 0.673 5.888 ( 0.054 0.163 -0.443) 0.475 5.913 ( 1.082 -0.792 -0.012) 1.340 5.955 ( 0.059 0.867 0.129) 0.878 5.980 ( 2.213 -0.229 1.157) 2.508 6.498 ( 0.150 0.184 0.199) 0.310 6.509 ( 0.432 -0.203 0.063) 0.481 6.646 ( -0.285 0.581 -0.129) 0.660 6.664 ( -1.387 -0.023 -0.503) 1.475 6.734 ( 2.117 0.338 0.916) 2.331 6.747 ( -0.908 -0.039 -0.645) 1.115 6.775 ( -0.750 -0.506 -0.250) 0.939 6.781 ( -0.628 -0.377 -0.101) 0.739 6.881 ( 2.212 0.654 0.873) 2.466 6.917 ( 0.000 -0.507 -0.044) 0.509 6.940 ( -0.044 0.438 -0.164) 0.469 6.961 ( -1.524 -0.346 -1.023) 1.868 6.977 ( -0.763 0.573 -0.263) 0.990 7.016 ( -0.889 -0.912 -0.440) 1.347 7.048 ( 0.976 0.301 0.506) 1.140 7.063 ( 1.228 -0.271 0.643) 1.413 7.146 ( -0.139 0.047 0.376) 0.404 7.156 ( -0.110 -0.082 -0.163) 0.214 7.162 ( 0.084 0.104 1.258) 1.265 7.180 ( 0.264 -0.355 0.469) 0.644 7.240 ( 0.255 0.093 -0.047) 0.276 7.246 ( 0.069 -0.110 -0.111) 0.171 7.256 ( -0.292 0.050 -0.587) 0.658 7.259 ( -0.207 -0.067 -0.461) 0.509 7.414 ( -0.107 0.085 -0.009) 0.137 7.424 ( 0.080 -0.394 0.006) 0.402 7.439 ( 0.047 0.096 0.041) 0.115 7.443 ( -0.007 -0.041 0.028) 0.050 7.638 ( 0.044 0.082 0.009) 0.093 7.644 ( 0.159 -0.101 0.105) 0.216 7.671 ( 0.145 0.181 0.131) 0.266 7.680 ( 0.016 -0.146 0.050) 0.155 7.727 ( 0.083 0.008 0.016) 0.085 7.727 ( 0.032 -0.020 0.084) 0.092 7.736 ( -0.259 0.044 -0.091) 0.278 7.738 ( -0.285 -0.028 -0.105) 0.304 16.574 ( 0.312 0.709 -0.080) 0.779 16.589 ( -0.126 0.712 -0.152) 0.739 16.624 ( 1.011 -1.169 -0.331) 1.581 16.632 ( 0.034 -0.767 -0.343) 0.841 16.867 ( -0.562 0.323 -0.189) 0.676 16.886 ( -0.363 -0.460 -0.267) 0.643 16.916 ( 1.601 0.836 0.178) 1.815 16.984 ( 1.553 -1.792 0.054) 2.372 17.070 ( 0.493 0.137 0.202) 0.550 17.089 ( -0.229 -0.568 -0.113) 0.623 17.093 ( 1.584 -1.721 1.235) 2.645 17.105 ( 1.708 -0.652 0.922) 2.048 17.318 ( -0.951 0.322 0.492) 1.118 17.327 ( -1.207 0.075 0.045) 1.211 17.354 ( -2.442 0.097 -1.023) 2.649 17.377 ( -0.016 -1.023 0.710) 1.246 17.763 ( 2.862 0.477 0.414) 2.931 17.785 ( 1.895 0.623 -0.086) 1.997 17.810 ( 2.672 0.120 1.406) 3.021 17.871 ( -1.122 -1.359 -0.905) 1.981 18.192 ( -1.625 -0.363 -0.889) 1.887 18.200 ( -0.970 -0.570 -0.546) 1.251 18.229 ( -1.726 0.740 -1.831) 2.622 18.247 ( -3.052 0.044 -1.857) 3.573 18.328 ( 2.545 -0.062 1.236) 2.830 18.340 ( 2.876 -0.544 2.333) 3.743 18.465 ( -0.731 0.664 0.647) 1.181 18.482 ( -0.687 0.004 1.254) 1.430 18.643 ( -0.246 0.401 -0.413) 0.626 18.663 ( -0.471 -0.399 -0.776) 0.991 18.708 ( 0.659 0.198 -0.763) 1.027 18.722 ( 0.743 -0.360 -2.573) 2.702 18.795 ( -1.632 0.407 -0.894) 1.905 18.834 ( -2.534 -0.957 -1.378) 3.039 18.864 ( 3.340 1.021 3.146) 4.701 18.914 ( 4.872 -0.823 4.512) 6.691 19.235 ( -3.897 0.252 -2.843) 4.830 19.247 ( -3.670 -0.178 -3.443) 5.036 19.360 ( 2.251 0.111 1.546) 2.733 19.368 ( 2.294 -0.207 1.304) 2.647 19.963 ( -0.091 0.247 -1.202) 1.231 19.983 ( 0.096 -0.697 -1.225) 1.413 20.006 ( 2.102 0.363 1.840) 2.817 20.026 ( 2.351 -0.345 2.597) 3.520 20.209 ( -1.825 0.712 -1.840) 2.688 20.238 ( -2.377 0.074 -1.704) 2.925 20.405 ( 0.094 0.334 0.333) 0.481 20.419 ( -0.436 -0.215 0.336) 0.591 ======================= Grid point 7 (6/30) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 0.000 1.650 0.000) 1.650 0.740 ( -0.000 4.280 -0.000) 4.280 0.804 ( 0.000 0.139 0.000) 0.139 0.824 ( -0.000 3.661 -0.000) 3.661 0.934 ( -0.000 0.778 -0.000) 0.778 0.936 ( 0.000 1.849 0.000) 1.849 1.017 ( 0.000 -4.059 0.000) 4.059 1.125 ( 0.000 1.623 -0.000) 1.623 1.140 ( -0.000 -7.205 0.000) 7.205 1.187 ( -0.000 2.274 -0.000) 2.274 1.192 ( 0.000 1.588 0.000) 1.588 1.222 ( 0.000 3.824 -0.000) 3.824 1.259 ( 0.000 -1.675 0.000) 1.675 1.306 ( -0.000 -3.796 0.000) 3.796 1.307 ( 0.000 -3.261 -0.000) 3.261 1.331 ( 0.000 -2.324 -0.000) 2.324 1.382 ( -0.000 1.235 -0.000) 1.235 1.408 ( 0.000 0.374 -0.000) 0.374 1.431 ( 0.000 1.135 0.000) 1.135 1.433 ( 0.000 -1.027 -0.000) 1.027 1.440 ( 0.000 0.908 -0.000) 0.908 1.495 ( 0.000 2.342 0.000) 2.342 1.519 ( 0.000 3.357 -0.000) 3.357 1.553 ( 0.000 -0.919 0.000) 0.919 1.558 ( 0.000 -0.363 0.000) 0.363 1.594 ( 0.000 2.433 -0.000) 2.433 1.609 ( 0.000 -3.152 0.000) 3.152 1.635 ( 0.000 -1.073 0.000) 1.073 1.659 ( 0.000 0.882 -0.000) 0.882 1.740 ( 0.000 2.947 -0.000) 2.947 1.790 ( 0.000 -0.510 0.000) 0.510 1.794 ( -0.000 2.220 -0.000) 2.220 1.837 ( 0.000 -0.284 -0.000) 0.284 1.876 ( 0.000 -0.293 -0.000) 0.293 1.905 ( -0.000 0.431 -0.000) 0.431 1.918 ( 0.000 -1.479 0.000) 1.479 1.953 ( 0.000 -0.897 -0.000) 0.897 1.959 ( -0.000 -1.257 0.000) 1.257 2.020 ( -0.000 -0.322 0.000) 0.322 2.038 ( 0.000 -0.722 -0.000) 0.722 2.066 ( -0.000 0.315 -0.000) 0.315 2.099 ( 0.000 0.223 -0.000) 0.223 2.140 ( -0.000 -1.252 -0.000) 1.252 2.140 ( 0.000 -1.425 0.000) 1.425 2.200 ( 0.000 1.306 -0.000) 1.306 2.225 ( 0.000 1.545 -0.000) 1.545 2.257 ( 0.000 2.766 0.000) 2.766 2.289 ( 0.000 1.155 0.000) 1.155 2.311 ( 0.000 2.132 -0.000) 2.132 2.316 ( -0.000 0.438 -0.000) 0.438 2.327 ( 0.000 -0.714 -0.000) 0.714 2.375 ( 0.000 -0.324 -0.000) 0.324 2.407 ( 0.000 -1.537 -0.000) 1.537 2.424 ( 0.000 -1.767 -0.000) 1.767 2.439 ( 0.000 0.435 -0.000) 0.435 2.480 ( 0.000 -1.063 0.000) 1.063 2.509 ( -0.000 -0.187 -0.000) 0.187 2.550 ( 0.000 -5.087 0.000) 5.087 2.565 ( 0.000 2.466 -0.000) 2.466 2.597 ( 0.000 0.167 -0.000) 0.167 2.630 ( 0.000 -1.974 -0.000) 1.974 2.667 ( 0.000 -1.265 0.000) 1.265 2.685 ( 0.000 -0.266 0.000) 0.266 2.711 ( 0.000 -0.796 -0.000) 0.796 2.738 ( 0.000 -0.815 0.000) 0.815 2.773 ( 0.000 -0.501 -0.000) 0.501 2.787 ( 0.000 1.020 -0.000) 1.020 2.807 ( 0.000 -0.291 0.000) 0.291 2.825 ( 0.000 -0.270 -0.000) 0.270 2.852 ( 0.000 -0.209 -0.000) 0.209 2.932 ( 0.000 0.671 -0.000) 0.671 2.971 ( 0.000 -0.553 0.000) 0.553 2.994 ( 0.000 1.347 -0.000) 1.347 3.013 ( 0.000 1.288 -0.000) 1.288 3.043 ( 0.000 0.339 -0.000) 0.339 3.103 ( 0.000 2.653 -0.000) 2.653 3.137 ( 0.000 -1.842 -0.000) 1.842 3.154 ( 0.000 -0.174 -0.000) 0.174 3.208 ( 0.000 0.684 -0.000) 0.684 3.254 ( -0.000 2.107 -0.000) 2.107 3.264 ( 0.000 -1.244 -0.000) 1.244 3.282 ( 0.000 0.621 0.000) 0.621 3.350 ( -0.000 -0.338 -0.000) 0.338 3.354 ( 0.000 -0.080 0.000) 0.080 3.411 ( 0.000 0.509 -0.000) 0.509 3.480 ( 0.000 -1.507 -0.000) 1.507 3.504 ( 0.000 0.706 -0.000) 0.706 3.534 ( 0.000 -0.472 -0.000) 0.472 3.651 ( 0.000 0.517 -0.000) 0.517 3.667 ( 0.000 0.109 -0.000) 0.109 3.691 ( 0.000 0.141 0.000) 0.141 3.717 ( 0.000 -1.068 -0.000) 1.068 3.731 ( 0.000 0.448 -0.000) 0.448 3.751 ( 0.000 0.161 0.000) 0.161 3.799 ( 0.000 0.407 -0.000) 0.407 3.803 ( 0.000 0.347 0.000) 0.347 3.924 ( 0.000 -0.234 -0.000) 0.234 3.928 ( 0.000 -0.503 0.000) 0.503 3.985 ( 0.000 1.283 0.000) 1.283 3.998 ( 0.000 0.423 0.000) 0.423 4.009 ( 0.000 1.107 -0.000) 1.107 4.023 ( 0.000 -0.765 -0.000) 0.765 4.050 ( 0.000 -0.144 -0.000) 0.144 4.061 ( -0.000 -0.430 -0.000) 0.430 4.099 ( 0.000 -2.046 -0.000) 2.046 4.103 ( -0.000 -0.237 0.000) 0.237 4.113 ( 0.000 -0.606 0.000) 0.606 4.122 ( 0.000 -0.237 -0.000) 0.237 4.213 ( 0.000 0.297 0.000) 0.297 4.236 ( 0.000 -0.792 0.000) 0.792 4.243 ( -0.000 1.166 -0.000) 1.166 4.274 ( 0.000 0.272 0.000) 0.272 4.304 ( -0.000 0.067 -0.000) 0.067 4.317 ( 0.000 -0.421 0.000) 0.421 4.458 ( 0.000 0.009 -0.000) 0.009 4.464 ( 0.000 -0.179 -0.000) 0.179 4.548 ( 0.000 0.206 -0.000) 0.206 4.569 ( 0.000 -0.555 -0.000) 0.555 4.628 ( -0.000 1.071 -0.000) 1.071 4.673 ( 0.000 -0.702 -0.000) 0.702 4.692 ( 0.000 1.013 -0.000) 1.013 4.745 ( 0.000 -0.893 -0.000) 0.893 4.812 ( 0.000 0.562 0.000) 0.562 4.827 ( 0.000 -0.280 0.000) 0.280 4.867 ( 0.000 0.170 0.000) 0.170 4.878 ( 0.000 -0.340 0.000) 0.340 4.893 ( 0.000 0.038 -0.000) 0.038 4.907 ( 0.000 -0.343 -0.000) 0.343 5.071 ( 0.000 0.378 -0.000) 0.378 5.091 ( 0.000 -0.341 -0.000) 0.341 5.122 ( 0.000 0.004 0.000) 0.004 5.127 ( 0.000 -0.154 0.000) 0.154 5.277 ( 0.000 0.598 -0.000) 0.598 5.317 ( 0.000 -0.863 -0.000) 0.863 5.460 ( 0.000 0.830 0.000) 0.830 5.498 ( 0.000 -0.496 -0.000) 0.496 5.548 ( 0.000 0.310 -0.000) 0.310 5.568 ( 0.000 -0.362 0.000) 0.362 5.608 ( 0.000 -0.011 0.000) 0.011 5.611 ( -0.000 -0.045 -0.000) 0.045 5.888 ( 0.000 0.500 0.000) 0.500 5.913 ( 0.000 -0.487 0.000) 0.487 5.974 ( 0.000 0.916 -0.000) 0.916 6.015 ( 0.000 -0.620 -0.000) 0.620 6.501 ( 0.000 0.284 0.000) 0.284 6.515 ( 0.000 -0.237 -0.000) 0.237 6.640 ( 0.320 0.471 -0.844) 1.018 6.640 ( -0.320 0.472 0.844) 1.018 6.733 ( -0.000 -0.455 0.000) 0.455 6.737 ( 0.000 -0.480 -0.000) 0.480 6.777 ( 0.000 0.569 -0.000) 0.569 6.804 ( 0.000 -0.461 0.000) 0.461 6.898 ( 0.000 0.021 0.000) 0.021 6.909 ( 0.000 -0.267 -0.000) 0.267 6.941 ( 0.000 0.861 0.000) 0.861 6.942 ( 0.000 0.496 -0.000) 0.496 6.983 ( -0.000 -0.386 -0.000) 0.386 6.992 ( 0.000 -0.952 0.000) 0.952 7.060 ( 0.000 0.356 -0.000) 0.356 7.077 ( 0.000 -0.313 -0.000) 0.313 7.145 ( 0.000 0.108 -0.000) 0.108 7.153 ( 0.000 -0.196 -0.000) 0.196 7.167 ( 0.000 0.232 -0.000) 0.232 7.185 ( 0.000 -0.360 -0.000) 0.360 7.244 ( -0.000 -0.022 -0.000) 0.022 7.245 ( 0.000 -0.079 0.000) 0.079 7.251 ( 0.000 0.085 -0.000) 0.085 7.254 ( 0.000 -0.057 -0.000) 0.057 7.413 ( 0.000 0.108 -0.000) 0.108 7.424 ( 0.000 -0.340 -0.000) 0.340 7.440 ( 0.000 0.097 -0.000) 0.097 7.443 ( 0.000 -0.001 0.000) 0.001 7.639 ( 0.000 0.117 -0.000) 0.117 7.646 ( 0.000 -0.125 -0.000) 0.125 7.673 ( 0.000 0.138 -0.000) 0.138 7.680 ( 0.000 -0.115 0.000) 0.115 7.728 ( -0.000 -0.004 0.000) 0.004 7.728 ( 0.000 -0.011 -0.000) 0.011 7.733 ( 0.000 0.041 -0.000) 0.041 7.734 ( 0.000 -0.019 -0.000) 0.019 16.577 ( 0.000 0.966 -0.000) 0.966 16.587 ( 0.000 0.728 -0.000) 0.728 16.631 ( 0.000 -0.859 -0.000) 0.859 16.634 ( 0.000 -1.129 -0.000) 1.129 16.859 ( 0.000 0.304 -0.000) 0.304 16.881 ( 0.000 -0.558 -0.000) 0.558 16.939 ( 0.000 1.211 0.000) 1.211 16.987 ( 0.000 -0.152 -0.000) 0.152 17.079 ( 0.000 0.024 0.000) 0.024 17.086 ( 0.000 -0.782 -0.000) 0.782 17.108 ( 0.000 -1.205 -0.000) 1.205 17.134 ( 0.000 -0.802 -0.000) 0.802 17.300 ( 0.000 0.358 0.000) 0.358 17.314 ( 0.000 1.036 0.000) 1.036 17.320 ( 0.000 -0.267 -0.000) 0.267 17.378 ( 0.000 -1.608 -0.000) 1.608 17.808 ( 0.000 0.146 -0.000) 0.146 17.818 ( -0.000 -0.522 -0.000) 0.522 17.837 ( 0.000 0.098 0.000) 0.098 17.853 ( 0.000 -0.078 -0.000) 0.078 18.154 ( 0.000 0.143 0.000) 0.143 18.177 ( 0.000 -0.885 -0.000) 0.885 18.211 ( -0.000 0.308 -0.000) 0.308 18.214 ( 0.000 0.409 0.000) 0.409 18.369 ( 0.000 0.266 -0.000) 0.266 18.389 ( 0.000 -0.466 0.000) 0.466 18.457 ( 0.000 0.421 0.000) 0.421 18.476 ( 0.000 -0.249 -0.000) 0.249 18.634 ( 0.000 0.233 0.000) 0.233 18.644 ( 0.000 -0.138 -0.000) 0.138 18.714 ( 0.000 0.016 0.000) 0.016 18.723 ( 0.000 -0.332 -0.000) 0.332 18.781 ( -0.000 -0.131 -0.000) 0.131 18.793 ( 0.000 -0.502 0.000) 0.502 18.929 ( 0.000 1.463 -0.000) 1.463 19.002 ( 0.000 -1.229 -0.000) 1.229 19.172 ( -0.390 0.062 -0.698) 0.803 19.172 ( 0.390 0.063 0.698) 0.803 19.392 ( 0.000 0.107 -0.000) 0.107 19.401 ( 0.000 -0.225 -0.000) 0.225 19.962 ( -0.000 0.010 -0.000) 0.010 19.968 ( 0.000 -0.259 -0.000) 0.259 20.044 ( 0.000 0.769 -0.000) 0.769 20.071 ( 0.000 -0.339 -0.000) 0.339 20.173 ( 0.000 0.652 -0.000) 0.652 20.206 ( 0.000 -0.556 -0.000) 0.556 20.408 ( 0.000 0.154 -0.000) 0.154 20.414 ( 0.000 -0.068 -0.000) 0.068 ======================= Grid point 10 (7/30) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 0.000 -7.462 0.000) 7.462 0.418 ( 0.000 7.462 0.000) 7.462 0.613 ( 0.000 -10.852 0.000) 10.852 0.613 ( 0.000 10.852 0.000) 10.852 0.953 ( 0.000 -6.520 0.000) 6.520 0.953 ( 0.000 6.520 0.000) 6.520 1.043 ( 0.000 -7.540 0.000) 7.540 1.043 ( 0.000 7.540 0.000) 7.540 1.127 ( 0.000 -2.215 0.000) 2.215 1.127 ( 0.000 2.215 0.000) 2.215 1.156 ( 0.000 -2.337 0.000) 2.337 1.156 ( 0.000 2.337 0.000) 2.337 1.291 ( 0.000 -2.116 0.000) 2.116 1.291 ( 0.000 2.116 0.000) 2.116 1.351 ( 0.000 -4.918 0.000) 4.918 1.351 ( 0.000 4.918 0.000) 4.918 1.377 ( 0.000 -0.563 0.000) 0.563 1.377 ( 0.000 0.563 0.000) 0.563 1.424 ( 0.000 -4.999 0.000) 4.999 1.424 ( 0.000 4.999 0.000) 4.999 1.449 ( 0.000 -0.442 0.000) 0.442 1.449 ( 0.000 0.442 0.000) 0.442 1.540 ( 0.000 -1.523 0.000) 1.523 1.540 ( 0.000 1.523 0.000) 1.523 1.569 ( 0.000 -0.423 0.000) 0.423 1.569 ( 0.000 0.423 0.000) 0.423 1.631 ( 0.000 -0.996 0.000) 0.996 1.631 ( 0.000 0.996 0.000) 0.996 1.666 ( 0.000 -0.834 0.000) 0.834 1.666 ( 0.000 0.834 0.000) 0.834 1.827 ( 0.000 -0.397 0.000) 0.397 1.827 ( 0.000 0.397 0.000) 0.397 1.892 ( 0.000 -0.508 0.000) 0.508 1.892 ( 0.000 0.508 0.000) 0.508 1.940 ( 0.000 -1.773 0.000) 1.773 1.940 ( 0.000 1.773 0.000) 1.773 1.993 ( 0.000 -0.139 0.000) 0.139 1.993 ( 0.000 0.139 0.000) 0.139 2.082 ( 0.000 -3.132 0.000) 3.132 2.082 ( 0.000 3.132 0.000) 3.132 2.133 ( 0.000 -0.490 0.000) 0.490 2.133 ( 0.000 0.490 0.000) 0.490 2.140 ( 0.000 -0.050 0.000) 0.050 2.140 ( 0.000 0.050 0.000) 0.050 2.193 ( 0.000 -0.115 0.000) 0.115 2.193 ( 0.000 0.115 0.000) 0.115 2.226 ( 0.000 -0.644 0.000) 0.644 2.226 ( 0.000 0.644 0.000) 0.644 2.265 ( 0.000 -1.040 0.000) 1.040 2.265 ( 0.000 1.040 0.000) 1.040 2.319 ( 0.000 -4.602 0.000) 4.602 2.319 ( 0.000 4.602 0.000) 4.602 2.432 ( 0.000 -1.853 0.000) 1.853 2.432 ( 0.000 1.853 0.000) 1.853 2.514 ( 0.000 -0.837 0.000) 0.837 2.514 ( 0.000 0.837 0.000) 0.837 2.596 ( 0.000 -0.971 0.000) 0.971 2.596 ( 0.000 0.971 0.000) 0.971 2.637 ( 0.000 -1.125 0.000) 1.125 2.637 ( 0.000 1.125 0.000) 1.125 2.703 ( 0.000 -2.235 0.000) 2.235 2.703 ( 0.000 2.235 0.000) 2.235 2.742 ( 0.000 -3.626 0.000) 3.626 2.742 ( 0.000 3.626 0.000) 3.626 2.755 ( 0.000 -0.800 0.000) 0.800 2.755 ( 0.000 0.800 0.000) 0.800 2.827 ( 0.000 -1.157 0.000) 1.157 2.827 ( 0.000 1.157 0.000) 1.157 2.900 ( 0.000 -1.093 0.000) 1.093 2.900 ( 0.000 1.093 0.000) 1.093 2.909 ( 0.000 -0.243 0.000) 0.243 2.909 ( 0.000 0.243 0.000) 0.243 2.956 ( 0.000 -0.759 0.000) 0.759 2.956 ( 0.000 0.759 0.000) 0.759 3.016 ( 0.000 -1.057 0.000) 1.057 3.016 ( 0.000 1.057 0.000) 1.057 3.121 ( 0.000 -0.203 0.000) 0.203 3.121 ( 0.000 0.203 0.000) 0.203 3.168 ( 0.000 -0.647 0.000) 0.647 3.168 ( 0.000 0.647 0.000) 0.647 3.327 ( 0.000 -1.233 0.000) 1.233 3.327 ( 0.000 1.233 0.000) 1.233 3.441 ( 0.000 -0.391 0.000) 0.391 3.441 ( 0.000 0.391 0.000) 0.391 3.485 ( 0.000 -0.962 0.000) 0.962 3.485 ( 0.000 0.962 0.000) 0.962 3.532 ( 0.000 -0.289 0.000) 0.289 3.532 ( 0.000 0.289 0.000) 0.289 3.636 ( 0.000 -0.691 0.000) 0.691 3.636 ( 0.000 0.691 0.000) 0.691 3.671 ( 0.000 -0.295 0.000) 0.295 3.671 ( 0.000 0.295 0.000) 0.295 3.737 ( 0.000 -0.047 0.000) 0.047 3.737 ( 0.000 0.047 0.000) 0.047 3.752 ( 0.000 -0.811 0.000) 0.811 3.752 ( 0.000 0.811 0.000) 0.811 3.888 ( 0.000 -0.001 0.000) 0.001 3.888 ( 0.000 0.001 0.000) 0.001 3.944 ( 0.000 -0.301 0.000) 0.301 3.944 ( 0.000 0.301 0.000) 0.301 3.968 ( 0.000 -0.248 0.000) 0.248 3.968 ( 0.000 0.248 0.000) 0.248 4.034 ( 0.000 -0.592 0.000) 0.592 4.034 ( 0.000 0.592 0.000) 0.592 4.087 ( 0.000 -0.654 0.000) 0.654 4.087 ( 0.000 0.654 0.000) 0.654 4.158 ( 0.000 -0.533 0.000) 0.533 4.158 ( 0.000 0.533 0.000) 0.533 4.189 ( 0.000 -0.066 0.000) 0.066 4.189 ( 0.000 0.066 0.000) 0.066 4.266 ( 0.000 -1.324 0.000) 1.324 4.266 ( 0.000 1.324 0.000) 1.324 4.338 ( 0.000 -0.433 0.000) 0.433 4.338 ( 0.000 0.433 0.000) 0.433 4.542 ( 0.000 -0.547 0.000) 0.547 4.542 ( 0.000 0.547 0.000) 0.547 4.551 ( 0.000 -0.492 0.000) 0.492 4.551 ( 0.000 0.492 0.000) 0.492 4.645 ( 0.000 -0.367 0.000) 0.367 4.645 ( 0.000 0.367 0.000) 0.367 4.687 ( 0.000 -0.274 0.000) 0.274 4.687 ( 0.000 0.274 0.000) 0.274 4.824 ( 0.000 -0.547 0.000) 0.547 4.824 ( 0.000 0.547 0.000) 0.547 4.830 ( 0.000 -0.694 0.000) 0.694 4.830 ( 0.000 0.694 0.000) 0.694 4.884 ( 0.000 -0.584 0.000) 0.584 4.884 ( 0.000 0.584 0.000) 0.584 5.175 ( 0.000 -0.486 0.000) 0.486 5.175 ( 0.000 0.486 0.000) 0.486 5.190 ( 0.000 -0.401 0.000) 0.401 5.190 ( 0.000 0.401 0.000) 0.401 5.256 ( 0.000 -0.334 0.000) 0.334 5.256 ( 0.000 0.334 0.000) 0.334 5.438 ( 0.000 -0.054 0.000) 0.054 5.438 ( 0.000 0.054 0.000) 0.054 5.551 ( 0.000 -0.976 0.000) 0.976 5.551 ( 0.000 0.976 0.000) 0.976 5.621 ( 0.000 -0.774 0.000) 0.774 5.621 ( 0.000 0.774 0.000) 0.774 5.885 ( 0.000 -0.037 0.000) 0.037 5.885 ( 0.000 0.037 0.000) 0.037 5.964 ( 0.000 -0.312 0.000) 0.312 5.964 ( 0.000 0.312 0.000) 0.312 6.499 ( 0.000 -0.210 0.000) 0.210 6.499 ( 0.000 0.210 0.000) 0.210 6.664 ( 0.000 -0.738 0.000) 0.738 6.664 ( 0.000 0.738 0.000) 0.738 6.721 ( 0.000 -1.070 0.000) 1.070 6.721 ( 0.000 1.070 0.000) 1.070 6.816 ( 0.000 -0.060 0.000) 0.060 6.816 ( 0.000 0.060 0.000) 0.060 6.861 ( 0.000 -1.256 0.000) 1.256 6.861 ( 0.000 1.256 0.000) 1.256 6.975 ( 0.000 -0.777 0.000) 0.777 6.975 ( 0.000 0.777 0.000) 0.777 7.008 ( 0.000 -0.766 0.000) 0.766 7.008 ( 0.000 0.766 0.000) 0.766 7.032 ( 0.000 -0.144 0.000) 0.144 7.032 ( 0.000 0.144 0.000) 0.144 7.151 ( 0.000 -0.457 0.000) 0.457 7.151 ( 0.000 0.457 0.000) 0.457 7.166 ( 0.000 -0.536 0.000) 0.536 7.166 ( 0.000 0.536 0.000) 0.536 7.241 ( 0.000 -0.187 0.000) 0.187 7.241 ( 0.000 0.187 0.000) 0.187 7.262 ( 0.000 -0.014 0.000) 0.014 7.262 ( 0.000 0.014 0.000) 0.014 7.418 ( 0.000 -0.106 0.000) 0.106 7.418 ( 0.000 0.106 0.000) 0.106 7.441 ( 0.000 -0.118 0.000) 0.118 7.441 ( 0.000 0.118 0.000) 0.118 7.639 ( 0.000 -0.080 0.000) 0.080 7.639 ( 0.000 0.080 0.000) 0.080 7.674 ( 0.000 -0.276 0.000) 0.276 7.674 ( 0.000 0.276 0.000) 0.276 7.726 ( 0.000 -0.031 0.000) 0.031 7.726 ( 0.000 0.031 0.000) 0.031 7.741 ( 0.000 -0.057 0.000) 0.057 7.741 ( 0.000 0.057 0.000) 0.057 16.584 ( 0.000 -0.831 0.000) 0.831 16.584 ( 0.000 0.831 0.000) 0.831 16.613 ( 0.000 -1.033 0.000) 1.033 16.613 ( 0.000 1.033 0.000) 1.033 16.885 ( 0.000 -0.556 0.000) 0.556 16.885 ( 0.000 0.556 0.000) 0.556 16.901 ( 0.000 -0.246 0.000) 0.246 16.901 ( 0.000 0.246 0.000) 0.246 17.072 ( 0.000 -0.386 0.000) 0.386 17.072 ( 0.000 0.386 0.000) 0.386 17.082 ( 0.000 -0.623 0.000) 0.623 17.082 ( 0.000 0.623 0.000) 0.623 17.331 ( 0.000 -0.172 0.000) 0.172 17.331 ( 0.000 0.172 0.000) 0.172 17.383 ( 0.000 -0.174 0.000) 0.174 17.383 ( 0.000 0.174 0.000) 0.174 17.751 ( 0.000 -1.109 0.000) 1.109 17.751 ( 0.000 1.109 0.000) 1.109 17.825 ( 0.000 -3.072 0.000) 3.072 17.825 ( 0.000 3.072 0.000) 3.072 18.205 ( 0.000 -0.256 0.000) 0.256 18.205 ( 0.000 0.256 0.000) 0.256 18.275 ( 0.000 -0.762 0.000) 0.762 18.275 ( 0.000 0.762 0.000) 0.762 18.300 ( 0.000 -0.063 0.000) 0.063 18.300 ( 0.000 0.063 0.000) 0.063 18.488 ( 0.000 -0.179 0.000) 0.179 18.488 ( 0.000 0.179 0.000) 0.179 18.655 ( 0.000 -0.506 0.000) 0.506 18.655 ( 0.000 0.506 0.000) 0.506 18.709 ( 0.000 -0.455 0.000) 0.455 18.709 ( 0.000 0.455 0.000) 0.455 18.821 ( 0.000 -0.763 0.000) 0.763 18.821 ( 0.000 0.763 0.000) 0.763 18.853 ( 0.000 -1.069 0.000) 1.069 18.853 ( 0.000 1.069 0.000) 1.069 19.293 ( 0.000 -0.150 0.000) 0.150 19.293 ( 0.000 0.150 0.000) 0.150 19.330 ( 0.000 -0.249 0.000) 0.249 19.330 ( 0.000 0.249 0.000) 0.249 19.975 ( 0.000 -0.378 0.000) 0.378 19.975 ( 0.000 0.378 0.000) 0.378 19.980 ( 0.000 -0.582 0.000) 0.582 19.980 ( 0.000 0.582 0.000) 0.582 20.259 ( 0.000 -1.324 0.000) 1.324 20.259 ( 0.000 1.324 0.000) 1.324 20.415 ( 0.000 -0.488 0.000) 0.488 20.415 ( 0.000 0.488 0.000) 0.488 ======================= Grid point 12 (8/30) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 9.798 -5.133 6.905) 13.040 0.585 ( 9.798 5.133 6.905) 13.040 0.801 ( 8.316 -9.498 4.719) 13.477 0.801 ( 8.316 9.498 4.719) 13.477 0.925 ( 1.021 -3.547 -2.783) 4.623 0.925 ( 1.021 3.547 -2.783) 4.623 1.047 ( 0.688 -5.765 -0.755) 5.854 1.047 ( 0.688 5.765 -0.755) 5.854 1.134 ( 3.255 -5.678 -1.965) 6.834 1.134 ( 3.255 5.679 -1.965) 6.834 1.168 ( -0.576 -2.234 -0.838) 2.454 1.168 ( -0.576 2.234 -0.838) 2.454 1.289 ( -0.906 -2.210 1.914) 3.061 1.289 ( -0.906 2.210 1.914) 3.061 1.310 ( -4.058 -1.159 1.055) 4.350 1.310 ( -4.058 1.159 1.055) 4.350 1.386 ( -0.131 -3.212 2.027) 3.801 1.386 ( -0.131 3.212 2.027) 3.801 1.404 ( 2.240 -0.769 0.472) 2.415 1.404 ( 2.240 0.769 0.472) 2.415 1.507 ( 2.157 -0.998 1.268) 2.694 1.507 ( 2.157 0.998 1.268) 2.694 1.541 ( -1.531 -2.173 3.794) 4.632 1.541 ( -1.531 2.173 3.794) 4.632 1.590 ( -0.977 -0.791 -3.351) 3.579 1.590 ( -0.977 0.791 -3.351) 3.579 1.662 ( -2.083 -2.410 -1.699) 3.610 1.662 ( -2.083 2.410 -1.699) 3.610 1.673 ( 7.201 -0.714 -1.320) 7.355 1.673 ( 7.201 0.714 -1.320) 7.355 1.768 ( -2.233 -1.726 -0.642) 2.894 1.768 ( -2.233 1.726 -0.642) 2.894 1.836 ( -0.807 -1.834 -0.886) 2.190 1.836 ( -0.807 1.834 -0.886) 2.190 1.923 ( -3.656 -0.920 -0.805) 3.855 1.923 ( -3.656 0.920 -0.805) 3.855 1.977 ( -0.269 -0.616 -1.193) 1.369 1.977 ( -0.269 0.616 -1.193) 1.369 2.069 ( 0.096 -1.359 -2.062) 2.471 2.069 ( 0.096 1.359 -2.062) 2.471 2.110 ( -1.806 -1.529 -0.295) 2.384 2.110 ( -1.806 1.529 -0.295) 2.384 2.141 ( -0.567 -1.317 -2.706) 3.062 2.141 ( -0.567 1.317 -2.706) 3.062 2.190 ( 1.324 -1.528 -1.144) 2.323 2.190 ( 1.324 1.528 -1.144) 2.323 2.262 ( 1.346 -1.197 0.694) 1.930 2.262 ( 1.346 1.197 0.694) 1.930 2.280 ( 1.507 -1.935 1.079) 2.679 2.280 ( 1.507 1.935 1.079) 2.679 2.345 ( 2.848 -2.568 2.460) 4.556 2.345 ( 2.848 2.568 2.460) 4.556 2.414 ( -1.505 -1.518 -1.612) 2.678 2.414 ( -1.505 1.518 -1.612) 2.678 2.464 ( -3.618 -0.511 -0.149) 3.657 2.464 ( -3.618 0.511 -0.149) 3.657 2.561 ( -2.464 -0.695 -0.482) 2.606 2.561 ( -2.464 0.695 -0.482) 2.606 2.629 ( -1.261 -1.107 -2.253) 2.809 2.629 ( -1.261 1.107 -2.253) 2.809 2.672 ( -2.505 -1.023 1.969) 3.346 2.672 ( -2.505 1.023 1.969) 3.346 2.704 ( -2.537 -0.761 0.393) 2.678 2.704 ( -2.537 0.761 0.393) 2.678 2.765 ( -0.579 -1.362 -0.054) 1.481 2.765 ( -0.579 1.362 -0.054) 1.481 2.833 ( -2.589 -0.586 1.849) 3.235 2.833 ( -2.589 0.586 1.849) 3.235 2.871 ( -3.263 -0.751 1.404) 3.630 2.871 ( -3.263 0.751 1.404) 3.630 2.935 ( 2.476 -1.203 -1.674) 3.221 2.935 ( 2.476 1.203 -1.674) 3.221 2.983 ( 4.057 -0.518 2.260) 4.673 2.983 ( 4.057 0.518 2.260) 4.673 3.039 ( 0.961 -0.745 2.743) 3.000 3.039 ( 0.961 0.745 2.743) 3.000 3.150 ( -0.408 -1.143 -0.026) 1.214 3.150 ( -0.408 1.143 -0.026) 1.214 3.199 ( 4.092 -0.733 -0.686) 4.213 3.199 ( 4.092 0.733 -0.686) 4.213 3.253 ( -1.349 -1.010 -1.294) 2.125 3.253 ( -1.349 1.010 -1.294) 2.125 3.418 ( -3.983 -1.459 -1.948) 4.668 3.418 ( -3.983 1.459 -1.948) 4.668 3.483 ( -2.260 -1.471 -0.857) 2.829 3.483 ( -2.260 1.471 -0.857) 2.829 3.519 ( 0.661 -0.619 0.041) 0.906 3.519 ( 0.661 0.619 0.041) 0.906 3.648 ( 0.911 -0.943 1.453) 1.957 3.648 ( 0.911 0.943 1.453) 1.957 3.681 ( 0.902 -0.662 -0.094) 1.123 3.681 ( 0.902 0.662 -0.094) 1.123 3.743 ( 0.281 -0.577 0.104) 0.650 3.743 ( 0.281 0.577 0.104) 0.650 3.788 ( 2.345 -0.711 -1.104) 2.687 3.788 ( 2.345 0.711 -1.104) 2.687 3.902 ( 1.007 -0.234 1.787) 2.064 3.902 ( 1.007 0.234 1.787) 2.064 3.977 ( 2.670 -0.221 0.230) 2.689 3.977 ( 2.670 0.221 0.230) 2.689 4.005 ( 2.295 -0.866 0.449) 2.494 4.005 ( 2.295 0.866 0.449) 2.494 4.037 ( 0.010 -1.099 -0.126) 1.107 4.037 ( 0.010 1.099 -0.126) 1.107 4.095 ( 0.826 -0.575 0.526) 1.135 4.095 ( 0.826 0.575 0.526) 1.135 4.124 ( -2.628 -0.500 -1.051) 2.875 4.124 ( -2.628 0.500 -1.051) 2.875 4.212 ( 1.540 -0.380 0.245) 1.605 4.212 ( 1.540 0.380 0.245) 1.605 4.252 ( -0.473 -0.536 -0.190) 0.740 4.252 ( -0.473 0.536 -0.190) 0.740 4.336 ( -0.888 -0.464 -0.143) 1.013 4.336 ( -0.888 0.464 -0.143) 1.013 4.488 ( -3.161 -0.305 -0.619) 3.236 4.488 ( -3.161 0.305 -0.619) 3.236 4.578 ( 1.193 -0.747 1.582) 2.118 4.578 ( 1.193 0.747 1.582) 2.118 4.614 ( -0.925 -0.291 -0.343) 1.029 4.614 ( -0.925 0.291 -0.343) 1.029 4.703 ( 0.841 -1.002 1.890) 2.299 4.703 ( 0.841 1.002 1.890) 2.299 4.812 ( -0.191 -0.316 1.364) 1.413 4.812 ( -0.191 0.316 1.364) 1.413 4.861 ( 1.972 -0.900 -1.410) 2.586 4.861 ( 1.972 0.900 -1.410) 2.586 4.879 ( 0.145 -0.555 -1.320) 1.439 4.879 ( 0.145 0.555 -1.320) 1.439 5.120 ( -1.833 -0.470 -1.466) 2.393 5.120 ( -1.833 0.470 -1.466) 2.393 5.165 ( -1.977 -0.556 -1.239) 2.398 5.165 ( -1.977 0.556 -1.239) 2.398 5.358 ( -4.222 -0.985 -1.697) 4.655 5.358 ( -4.222 0.985 -1.697) 4.655 5.402 ( 5.489 -0.623 3.709) 6.654 5.402 ( 5.489 0.623 3.709) 6.654 5.555 ( 0.223 -0.671 -0.020) 0.707 5.555 ( 0.223 0.671 -0.020) 0.707 5.617 ( -0.381 -0.832 -0.354) 0.981 5.617 ( -0.381 0.832 -0.354) 0.981 5.897 ( 0.716 -0.608 -0.297) 0.985 5.897 ( 0.716 0.608 -0.297) 0.985 5.971 ( 1.120 -0.595 0.720) 1.459 5.971 ( 1.120 0.595 0.720) 1.459 6.504 ( 0.340 -0.294 0.125) 0.467 6.504 ( 0.340 0.294 0.125) 0.467 6.659 ( -0.530 -0.503 -0.254) 0.774 6.659 ( -0.530 0.503 -0.254) 0.774 6.743 ( 0.390 -0.436 0.444) 0.735 6.743 ( 0.390 0.436 0.444) 0.735 6.772 ( -0.777 -0.293 -0.595) 1.021 6.772 ( -0.777 0.293 -0.595) 1.021 6.900 ( 1.506 -0.941 0.695) 1.907 6.900 ( 1.506 0.941 0.695) 1.907 6.951 ( -1.171 -0.536 -0.742) 1.486 6.951 ( -1.171 0.536 -0.742) 1.486 6.994 ( -0.911 -0.975 -0.453) 1.409 6.994 ( -0.911 0.975 -0.453) 1.409 7.055 ( 1.141 -0.376 0.599) 1.342 7.055 ( 1.141 0.376 0.599) 1.342 7.150 ( -0.166 -0.312 0.196) 0.404 7.150 ( -0.166 0.312 0.196) 0.404 7.170 ( 0.255 -0.509 0.556) 0.796 7.170 ( 0.255 0.509 0.556) 0.796 7.243 ( 0.150 -0.138 -0.088) 0.222 7.243 ( 0.150 0.138 -0.088) 0.222 7.257 ( -0.250 -0.071 -0.522) 0.583 7.257 ( -0.250 0.071 -0.522) 0.583 7.418 ( -0.027 -0.227 0.014) 0.229 7.418 ( -0.027 0.227 0.014) 0.229 7.441 ( 0.037 -0.103 0.041) 0.117 7.441 ( 0.037 0.103 0.041) 0.117 7.641 ( 0.107 -0.130 0.059) 0.178 7.641 ( 0.107 0.130 0.059) 0.178 7.676 ( 0.073 -0.230 0.090) 0.258 7.676 ( 0.073 0.230 0.090) 0.258 7.727 ( 0.056 -0.020 0.048) 0.077 7.727 ( 0.056 0.020 0.048) 0.077 7.737 ( -0.266 -0.053 -0.097) 0.289 7.737 ( -0.266 0.053 -0.097) 0.289 16.594 ( 0.754 -1.020 -0.049) 1.269 16.594 ( 0.754 1.020 -0.049) 1.269 16.612 ( -0.086 -0.871 -0.238) 0.907 16.612 ( -0.086 0.871 -0.238) 0.907 16.876 ( -0.538 -0.473 -0.211) 0.747 16.876 ( -0.538 0.473 -0.211) 0.747 16.942 ( 2.526 -1.648 0.500) 3.057 16.942 ( 2.526 1.648 0.500) 3.057 17.074 ( -0.262 -0.487 0.019) 0.553 17.074 ( -0.262 0.487 0.019) 0.553 17.092 ( 1.277 -0.547 0.835) 1.621 17.092 ( 1.277 0.547 0.835) 1.621 17.326 ( -0.759 -0.265 0.285) 0.853 17.326 ( -0.759 0.265 0.285) 0.853 17.360 ( -1.630 -0.535 -0.286) 1.740 17.360 ( -1.630 0.535 -0.286) 1.740 17.779 ( 2.191 -0.815 0.756) 2.456 17.779 ( 2.191 0.815 0.756) 2.456 17.834 ( 0.914 -1.772 -0.493) 2.054 17.834 ( 0.914 1.772 -0.493) 2.054 18.191 ( -1.521 -0.223 -0.643) 1.666 18.191 ( -1.521 0.223 -0.643) 1.666 18.242 ( -2.170 -0.441 -1.612) 2.739 18.242 ( -2.170 0.441 -1.612) 2.739 18.330 ( 2.761 -0.282 1.834) 3.327 18.330 ( 2.761 0.282 1.834) 3.327 18.478 ( -0.955 -0.430 0.980) 1.434 18.478 ( -0.955 0.430 0.980) 1.434 18.653 ( -0.333 -0.510 -0.631) 0.877 18.653 ( -0.333 0.510 -0.631) 0.877 18.714 ( 0.663 -0.376 -1.692) 1.856 18.714 ( 0.663 0.376 -1.692) 1.856 18.811 ( -2.141 -1.012 -1.195) 2.653 18.811 ( -2.141 1.012 -1.195) 2.653 18.890 ( 4.203 -1.280 3.892) 5.869 18.890 ( 4.203 1.280 3.892) 5.869 19.242 ( -3.774 -0.326 -3.139) 4.920 19.242 ( -3.774 0.326 -3.139) 4.920 19.363 ( 2.255 -0.211 1.435) 2.682 19.363 ( 2.255 0.211 1.435) 2.682 19.971 ( -0.161 -0.455 -1.240) 1.330 19.971 ( -0.161 0.455 -1.240) 1.330 20.017 ( 2.475 -0.516 2.528) 3.575 20.017 ( 2.475 0.516 2.528) 3.575 20.228 ( -2.187 -0.855 -1.796) 2.957 20.228 ( -2.187 0.855 -1.796) 2.957 20.413 ( -0.204 -0.360 0.348) 0.540 20.413 ( -0.204 0.360 0.348) 0.540 ======================= Grid point 14 (9/30) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 0.000 -4.436 0.000) 4.436 0.717 ( 0.000 4.436 0.000) 4.436 0.906 ( 0.000 -0.098 -0.000) 0.098 0.906 ( 0.000 0.098 0.000) 0.098 0.932 ( -0.000 -0.751 -0.000) 0.751 0.932 ( -0.000 0.751 0.000) 0.751 0.978 ( -0.000 -4.010 -0.000) 4.010 0.978 ( 0.000 4.010 0.000) 4.010 1.159 ( -0.000 -2.172 0.000) 2.172 1.159 ( 0.000 2.172 0.000) 2.172 1.238 ( -0.000 -2.292 0.000) 2.292 1.238 ( 0.000 2.292 -0.000) 2.292 1.266 ( 0.000 -0.440 0.000) 0.440 1.266 ( 0.000 0.440 0.000) 0.440 1.287 ( 0.000 -2.143 0.000) 2.143 1.287 ( 0.000 2.143 -0.000) 2.143 1.404 ( 0.000 -1.279 0.000) 1.279 1.404 ( 0.000 1.279 -0.000) 1.279 1.434 ( 0.000 -1.510 0.000) 1.510 1.434 ( 0.000 1.510 -0.000) 1.510 1.490 ( 0.000 -3.361 0.000) 3.361 1.490 ( 0.000 3.361 -0.000) 3.361 1.536 ( 0.000 -1.217 -0.000) 1.217 1.536 ( 0.000 1.217 0.000) 1.217 1.570 ( 0.000 -0.957 -0.000) 0.957 1.570 ( 0.000 0.957 0.000) 0.957 1.623 ( 0.000 -0.546 -0.000) 0.546 1.623 ( -0.000 0.546 -0.000) 0.546 1.733 ( 0.000 -4.787 0.000) 4.787 1.733 ( 0.000 4.787 -0.000) 4.787 1.800 ( 0.000 -1.939 -0.000) 1.939 1.800 ( -0.000 1.939 -0.000) 1.939 1.864 ( 0.000 -1.573 -0.000) 1.573 1.864 ( 0.000 1.573 0.000) 1.573 1.899 ( -0.000 -1.234 -0.000) 1.234 1.899 ( 0.000 1.234 0.000) 1.234 1.927 ( 0.000 -1.005 -0.000) 1.005 1.927 ( -0.000 1.005 -0.000) 1.005 2.030 ( -0.000 -0.441 0.000) 0.441 2.030 ( 0.000 0.441 -0.000) 0.441 2.086 ( 0.000 -0.851 -0.000) 0.851 2.086 ( 0.000 0.851 -0.000) 0.851 2.120 ( 0.000 -0.352 -0.000) 0.352 2.120 ( 0.000 0.352 0.000) 0.352 2.234 ( 0.000 -1.032 -0.000) 1.032 2.234 ( 0.000 1.032 0.000) 1.032 2.299 ( -0.000 -1.431 0.000) 1.431 2.299 ( 0.000 1.431 -0.000) 1.431 2.323 ( 0.000 -1.204 0.000) 1.204 2.323 ( 0.000 1.204 0.000) 1.204 2.354 ( 0.000 -1.031 0.000) 1.031 2.354 ( 0.000 1.031 -0.000) 1.031 2.397 ( 0.000 -0.657 -0.000) 0.657 2.397 ( 0.000 0.657 0.000) 0.657 2.455 ( -0.000 -1.026 -0.000) 1.026 2.455 ( 0.000 1.026 0.000) 1.026 2.486 ( 0.000 -0.320 0.000) 0.320 2.486 ( -0.000 0.320 -0.000) 0.320 2.602 ( 0.000 -0.766 -0.000) 0.766 2.602 ( -0.000 0.766 -0.000) 0.766 2.632 ( 0.000 -2.480 0.000) 2.480 2.632 ( 0.000 2.480 -0.000) 2.480 2.674 ( 0.000 -1.588 -0.000) 1.588 2.674 ( 0.000 1.588 -0.000) 1.588 2.762 ( 0.000 -1.527 -0.000) 1.527 2.762 ( 0.000 1.527 -0.000) 1.527 2.801 ( 0.000 -0.100 0.000) 0.100 2.801 ( 0.000 0.100 0.000) 0.100 2.830 ( 0.000 -1.026 -0.000) 1.026 2.830 ( 0.000 1.026 -0.000) 1.026 2.955 ( 0.000 -1.039 0.000) 1.039 2.955 ( 0.000 1.039 0.000) 1.039 3.013 ( 0.000 -0.572 -0.000) 0.572 3.013 ( 0.000 0.572 0.000) 0.572 3.086 ( 0.000 -2.666 -0.000) 2.666 3.086 ( 0.000 2.666 0.000) 2.666 3.147 ( 0.000 -1.003 -0.000) 1.003 3.147 ( 0.000 1.003 -0.000) 1.003 3.233 ( 0.000 -1.435 -0.000) 1.435 3.233 ( 0.000 1.435 -0.000) 1.435 3.286 ( 0.000 -0.494 0.000) 0.494 3.286 ( 0.000 0.494 -0.000) 0.494 3.345 ( 0.000 -0.334 0.000) 0.334 3.345 ( 0.000 0.334 0.000) 0.334 3.441 ( 0.000 -1.916 -0.000) 1.916 3.441 ( 0.000 1.916 -0.000) 1.916 3.521 ( 0.000 -0.742 -0.000) 0.742 3.521 ( -0.000 0.742 -0.000) 0.742 3.664 ( 0.000 -0.500 0.000) 0.500 3.664 ( 0.000 0.500 0.000) 0.500 3.697 ( 0.000 -0.651 0.000) 0.651 3.697 ( 0.000 0.651 -0.000) 0.651 3.745 ( 0.000 -0.637 -0.000) 0.637 3.745 ( 0.000 0.637 -0.000) 0.637 3.807 ( 0.000 -0.149 -0.000) 0.149 3.807 ( 0.000 0.149 0.000) 0.149 3.921 ( 0.000 -0.064 -0.000) 0.064 3.921 ( 0.000 0.064 0.000) 0.064 4.006 ( -0.000 -0.137 0.000) 0.137 4.006 ( 0.000 0.137 -0.000) 0.137 4.028 ( 0.000 -1.061 0.000) 1.061 4.028 ( 0.000 1.061 -0.000) 1.061 4.039 ( 0.000 -0.176 -0.000) 0.176 4.039 ( 0.000 0.176 -0.000) 0.176 4.083 ( 0.000 -0.738 0.000) 0.738 4.083 ( 0.000 0.738 0.000) 0.738 4.115 ( 0.000 -0.345 -0.000) 0.345 4.115 ( 0.000 0.345 -0.000) 0.345 4.222 ( -0.000 -0.533 0.000) 0.533 4.222 ( 0.000 0.533 0.000) 0.533 4.267 ( -0.000 -0.879 -0.000) 0.879 4.267 ( 0.000 0.879 0.000) 0.879 4.308 ( -0.000 -0.352 -0.000) 0.352 4.308 ( 0.000 0.352 0.000) 0.352 4.460 ( 0.000 -0.163 0.000) 0.163 4.460 ( 0.000 0.163 -0.000) 0.163 4.557 ( 0.000 -0.559 0.000) 0.559 4.557 ( 0.000 0.559 -0.000) 0.559 4.653 ( 0.000 -1.130 -0.000) 1.130 4.653 ( 0.000 1.130 -0.000) 1.130 4.720 ( 0.000 -1.375 0.000) 1.375 4.720 ( 0.000 1.375 -0.000) 1.375 4.822 ( 0.000 -0.289 0.000) 0.289 4.822 ( 0.000 0.289 -0.000) 0.289 4.872 ( 0.000 -0.261 0.000) 0.261 4.872 ( 0.000 0.261 -0.000) 0.261 4.897 ( -0.000 -0.390 -0.000) 0.390 4.897 ( 0.000 0.390 -0.000) 0.390 5.081 ( 0.000 -0.516 0.000) 0.516 5.081 ( 0.000 0.516 -0.000) 0.516 5.123 ( 0.000 -0.161 0.000) 0.161 5.123 ( 0.000 0.161 -0.000) 0.161 5.295 ( 0.000 -1.053 0.000) 1.053 5.295 ( 0.000 1.053 -0.000) 1.053 5.481 ( 0.000 -0.999 0.000) 0.999 5.481 ( 0.000 0.999 -0.000) 0.999 5.557 ( 0.000 -0.504 -0.000) 0.504 5.557 ( 0.000 0.504 -0.000) 0.504 5.609 ( 0.000 -0.104 0.000) 0.104 5.609 ( 0.000 0.104 0.000) 0.104 5.901 ( 0.000 -0.627 0.000) 0.627 5.901 ( 0.000 0.627 0.000) 0.627 5.996 ( 0.000 -1.047 -0.000) 1.047 5.996 ( 0.000 1.047 0.000) 1.047 6.508 ( 0.000 -0.352 0.000) 0.352 6.508 ( 0.000 0.352 -0.000) 0.352 6.647 ( 0.000 -0.020 -0.000) 0.020 6.647 ( 0.000 0.020 0.000) 0.020 6.728 ( 0.000 -0.131 0.000) 0.131 6.728 ( 0.000 0.131 -0.000) 0.131 6.791 ( 0.000 -0.661 -0.000) 0.661 6.791 ( 0.000 0.661 0.000) 0.661 6.902 ( 0.000 -0.314 0.000) 0.314 6.902 ( 0.000 0.314 -0.000) 0.314 6.953 ( 0.000 -0.131 0.000) 0.131 6.953 ( 0.000 0.131 0.000) 0.131 6.976 ( -0.000 -0.097 -0.000) 0.097 6.976 ( 0.000 0.097 -0.000) 0.097 7.069 ( 0.000 -0.427 -0.000) 0.427 7.069 ( 0.000 0.427 0.000) 0.427 7.148 ( 0.000 -0.216 -0.000) 0.216 7.148 ( 0.000 0.216 -0.000) 0.216 7.175 ( 0.000 -0.472 -0.000) 0.472 7.175 ( 0.000 0.472 -0.000) 0.472 7.244 ( 0.000 -0.004 0.000) 0.004 7.244 ( 0.000 0.004 0.000) 0.004 7.253 ( 0.000 -0.079 0.000) 0.079 7.253 ( 0.000 0.079 -0.000) 0.079 7.417 ( 0.000 -0.275 -0.000) 0.275 7.417 ( 0.000 0.275 -0.000) 0.275 7.442 ( 0.000 -0.088 -0.000) 0.088 7.442 ( 0.000 0.088 0.000) 0.088 7.642 ( 0.000 -0.171 -0.000) 0.171 7.642 ( 0.000 0.171 -0.000) 0.171 7.677 ( 0.000 -0.179 -0.000) 0.179 7.677 ( 0.000 0.179 0.000) 0.179 7.728 ( 0.000 -0.005 -0.000) 0.005 7.728 ( 0.000 0.005 0.000) 0.005 7.734 ( 0.000 -0.042 -0.000) 0.042 7.734 ( 0.000 0.042 -0.000) 0.042 16.604 ( -0.000 -1.461 -0.000) 1.461 16.604 ( 0.000 1.461 -0.000) 1.461 16.608 ( 0.000 -1.119 0.000) 1.119 16.608 ( 0.000 1.119 -0.000) 1.119 16.868 ( 0.000 -0.521 -0.000) 0.521 16.868 ( 0.000 0.521 -0.000) 0.521 16.970 ( 0.000 -1.409 0.000) 1.409 16.970 ( 0.000 1.409 -0.000) 1.409 17.072 ( 0.000 -0.160 -0.000) 0.160 17.072 ( 0.000 0.160 0.000) 0.160 17.113 ( 0.000 -0.997 -0.000) 0.997 17.113 ( 0.000 0.997 -0.000) 0.997 17.311 ( 0.000 -0.522 0.000) 0.522 17.311 ( 0.000 0.522 -0.000) 0.522 17.342 ( 0.000 -1.538 -0.000) 1.538 17.342 ( 0.000 1.538 -0.000) 1.538 17.811 ( 0.000 -0.164 -0.000) 0.164 17.811 ( 0.000 0.164 -0.000) 0.164 17.845 ( 0.000 -0.528 0.000) 0.528 17.845 ( 0.000 0.528 -0.000) 0.528 18.161 ( 0.000 -0.534 0.000) 0.534 18.161 ( 0.000 0.534 -0.000) 0.534 18.217 ( 0.000 -0.149 0.000) 0.149 18.217 ( 0.000 0.149 -0.000) 0.149 18.378 ( 0.000 -0.506 0.000) 0.506 18.378 ( 0.000 0.506 -0.000) 0.506 18.468 ( 0.000 -0.481 0.000) 0.481 18.468 ( 0.000 0.481 -0.000) 0.481 18.640 ( 0.000 -0.271 0.000) 0.271 18.640 ( 0.000 0.271 -0.000) 0.271 18.716 ( 0.000 -0.230 -0.000) 0.230 18.716 ( 0.000 0.230 -0.000) 0.230 18.783 ( 0.000 -0.310 0.000) 0.310 18.783 ( 0.000 0.310 -0.000) 0.310 18.967 ( 0.000 -1.872 -0.000) 1.872 18.967 ( 0.000 1.872 -0.000) 1.872 19.173 ( 0.000 -0.012 0.000) 0.012 19.173 ( 0.000 0.012 0.000) 0.012 19.396 ( 0.000 -0.224 -0.000) 0.224 19.396 ( 0.000 0.224 -0.000) 0.224 19.963 ( 0.000 -0.130 0.000) 0.130 19.963 ( 0.000 0.130 -0.000) 0.130 20.060 ( 0.000 -0.647 -0.000) 0.647 20.060 ( 0.000 0.647 0.000) 0.647 20.190 ( 0.000 -0.857 -0.000) 0.857 20.190 ( 0.000 0.857 -0.000) 0.857 20.412 ( 0.000 -0.129 -0.000) 0.129 20.412 ( 0.000 0.129 -0.000) 0.129 ======================= Grid point 25 (10/30) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 4.769 0.000 12.757) 13.619 0.435 ( -1.106 0.000 20.578) 20.608 0.598 ( 5.652 0.000 19.893) 20.681 0.734 ( 0.752 0.000 7.912) 7.948 0.838 ( 4.060 0.000 7.717) 8.720 0.939 ( 4.003 0.000 4.600) 6.098 1.008 ( 0.353 0.000 -1.083) 1.139 1.030 ( -1.645 0.000 2.087) 2.657 1.082 ( -2.550 0.000 -6.051) 6.566 1.143 ( 2.048 0.000 -6.845) 7.145 1.188 ( 0.088 0.000 -2.027) 2.029 1.233 ( 3.317 0.000 -7.004) 7.750 1.269 ( 2.401 0.000 2.681) 3.599 1.291 ( -0.290 0.000 -0.885) 0.932 1.311 ( 2.929 0.000 5.003) 5.797 1.366 ( 1.026 0.000 -0.379) 1.094 1.381 ( -3.157 0.000 -0.612) 3.216 1.402 ( -1.013 0.000 2.166) 2.391 1.451 ( 3.550 0.000 6.507) 7.413 1.482 ( -1.531 0.000 -0.616) 1.651 1.490 ( -2.136 0.000 -7.222) 7.531 1.508 ( 3.418 0.000 0.802) 3.511 1.535 ( -1.438 0.000 -0.953) 1.725 1.563 ( 1.993 0.000 4.414) 4.843 1.617 ( -1.133 0.000 0.920) 1.459 1.639 ( -4.004 0.000 4.947) 6.364 1.662 ( 4.811 0.000 3.180) 5.767 1.707 ( -1.313 0.000 0.131) 1.320 1.718 ( -2.352 0.000 -0.339) 2.377 1.780 ( -4.617 0.000 -5.549) 7.219 1.791 ( -1.919 0.000 -4.282) 4.693 1.800 ( -5.495 0.000 2.644) 6.098 1.827 ( -2.509 0.000 0.021) 2.509 1.871 ( 0.409 0.000 -3.294) 3.319 1.884 ( -3.220 0.000 -1.105) 3.404 1.926 ( -0.653 0.000 0.084) 0.659 1.951 ( 0.353 0.000 -2.928) 2.949 2.007 ( -1.892 0.000 0.718) 2.024 2.009 ( -1.503 0.000 1.536) 2.149 2.056 ( 3.348 0.000 -2.305) 4.065 2.070 ( -1.185 0.000 -1.656) 2.037 2.101 ( 1.866 0.000 1.676) 2.508 2.102 ( -4.928 0.000 -1.619) 5.187 2.153 ( -2.072 0.000 -1.512) 2.565 2.180 ( 0.192 0.000 -1.756) 1.766 2.181 ( 4.166 0.000 0.022) 4.166 2.213 ( -0.896 0.000 -1.710) 1.931 2.266 ( -4.278 0.000 -2.304) 4.859 2.273 ( 1.732 0.000 3.545) 3.945 2.286 ( -0.536 0.000 2.162) 2.227 2.295 ( -0.935 0.000 4.506) 4.602 2.355 ( 2.243 0.000 2.016) 3.016 2.439 ( -2.863 0.000 -5.547) 6.242 2.457 ( -2.675 0.000 -1.839) 3.246 2.495 ( -0.529 0.000 -0.187) 0.561 2.516 ( 2.358 0.000 0.438) 2.398 2.589 ( 1.065 0.000 0.552) 1.200 2.604 ( -2.432 0.000 0.967) 2.617 2.632 ( -1.706 0.000 -1.387) 2.199 2.681 ( 6.227 0.000 3.620) 7.203 2.699 ( -1.494 0.000 2.859) 3.226 2.705 ( -0.909 0.000 -4.477) 4.568 2.733 ( -1.195 0.000 2.010) 2.338 2.741 ( 1.528 0.000 3.082) 3.440 2.752 ( -0.612 0.000 -1.589) 1.703 2.791 ( 1.786 0.000 -1.288) 2.203 2.835 ( 1.458 0.000 2.917) 3.261 2.868 ( 3.280 0.000 -0.650) 3.344 2.902 ( 1.876 0.000 -3.157) 3.673 2.908 ( 3.815 0.000 4.002) 5.529 2.930 ( -1.320 0.000 1.851) 2.273 2.969 ( 7.727 0.000 3.143) 8.341 2.971 ( 2.376 0.000 -0.599) 2.450 3.010 ( 6.586 0.000 0.950) 6.655 3.039 ( -2.873 0.000 3.089) 4.219 3.094 ( -3.670 0.000 -0.942) 3.789 3.118 ( 0.072 0.000 -1.868) 1.869 3.145 ( 0.804 0.000 3.314) 3.410 3.150 ( -6.325 0.000 -2.895) 6.956 3.151 ( 2.085 0.000 2.661) 3.381 3.279 ( -2.349 0.000 -0.205) 2.358 3.341 ( -8.230 0.000 -3.013) 8.765 3.366 ( 0.113 0.000 -4.114) 4.116 3.392 ( 0.633 0.000 -5.352) 5.389 3.482 ( 3.416 0.000 1.016) 3.564 3.499 ( 4.215 0.000 0.676) 4.269 3.519 ( -3.949 0.000 -1.089) 4.096 3.534 ( 0.321 0.000 0.023) 0.322 3.598 ( -0.377 0.000 -0.158) 0.409 3.634 ( 0.720 0.000 -4.947) 4.999 3.635 ( 1.569 0.000 -0.621) 1.688 3.652 ( 1.415 0.000 -3.957) 4.203 3.661 ( 1.069 0.000 -4.292) 4.423 3.674 ( 0.140 0.000 -3.364) 3.367 3.679 ( 0.645 0.000 -2.868) 2.940 3.701 ( -0.495 0.000 -3.414) 3.450 3.955 ( 1.720 0.000 0.296) 1.746 3.956 ( 1.726 0.000 4.542) 4.859 3.970 ( -0.272 0.000 0.768) 0.815 3.978 ( 0.537 0.000 0.614) 0.816 3.986 ( 0.140 0.000 3.427) 3.430 4.007 ( -0.240 0.000 1.514) 1.533 4.011 ( -1.602 0.000 2.047) 2.599 4.051 ( 2.311 0.000 -0.534) 2.372 4.080 ( -0.679 0.000 0.820) 1.065 4.102 ( 0.821 0.000 0.345) 0.890 4.148 ( -3.286 0.000 -1.701) 3.700 4.182 ( -0.542 0.000 0.581) 0.794 4.204 ( -0.122 0.000 1.158) 1.164 4.220 ( -1.221 0.000 -0.428) 1.294 4.231 ( 2.559 0.000 2.395) 3.505 4.294 ( -1.103 0.000 -0.883) 1.413 4.329 ( -0.322 0.000 1.977) 2.003 4.375 ( 0.754 0.000 2.758) 2.859 4.488 ( -0.895 0.000 -3.738) 3.844 4.529 ( -1.326 0.000 -3.146) 3.414 4.548 ( 1.974 0.000 0.732) 2.105 4.587 ( 2.614 0.000 1.416) 2.973 4.595 ( -2.384 0.000 -1.952) 3.081 4.624 ( -0.789 0.000 -0.041) 0.790 4.729 ( -0.905 0.000 3.462) 3.578 4.771 ( -0.909 0.000 3.256) 3.381 4.779 ( 1.184 0.000 -0.733) 1.392 4.813 ( 2.315 0.000 -1.198) 2.606 4.847 ( -1.202 0.000 1.164) 1.673 4.853 ( -0.576 0.000 -0.791) 0.979 4.882 ( -1.597 0.000 -1.003) 1.886 4.884 ( -2.309 0.000 1.455) 2.729 5.136 ( -3.658 0.000 -2.510) 4.436 5.137 ( -0.242 0.000 -1.686) 1.703 5.155 ( -2.582 0.000 -1.743) 3.115 5.179 ( -0.294 0.000 -2.364) 2.382 5.309 ( 8.822 0.000 3.580) 9.520 5.323 ( 7.019 0.000 4.237) 8.199 5.416 ( -5.086 0.000 -1.372) 5.267 5.433 ( -1.672 0.000 -0.585) 1.772 5.537 ( -0.212 0.000 0.508) 0.551 5.582 ( -0.574 0.000 -1.069) 1.214 5.587 ( -0.284 0.000 0.743) 0.795 5.630 ( 0.237 0.000 -0.847) 0.879 5.898 ( -1.008 0.000 0.191) 1.026 5.898 ( 1.032 0.000 0.167) 1.045 5.949 ( 1.661 0.000 0.423) 1.714 5.963 ( -1.660 0.000 -0.113) 1.664 6.510 ( 0.026 0.000 1.614) 1.614 6.532 ( -0.456 0.000 2.474) 2.516 6.613 ( 0.357 0.000 -2.590) 2.615 6.655 ( 0.254 0.000 -2.587) 2.599 6.705 ( 1.386 0.000 1.057) 1.743 6.765 ( -2.535 0.000 -1.486) 2.938 6.775 ( 1.679 0.000 1.369) 2.167 6.827 ( -1.516 0.000 0.441) 1.578 6.857 ( 0.047 0.000 0.845) 0.846 6.913 ( 2.520 0.000 1.351) 2.859 6.929 ( -1.105 0.000 -1.442) 1.816 6.983 ( -2.093 0.000 -1.493) 2.571 6.986 ( -0.446 0.000 0.949) 1.049 7.023 ( 0.876 0.000 -0.516) 1.016 7.041 ( -0.474 0.000 0.345) 0.586 7.043 ( 1.713 0.000 0.352) 1.748 7.153 ( 0.264 0.000 0.350) 0.438 7.162 ( -0.089 0.000 0.439) 0.448 7.177 ( 1.257 0.000 -0.412) 1.323 7.180 ( 0.437 0.000 -0.020) 0.438 7.239 ( -0.150 0.000 0.268) 0.307 7.250 ( -0.220 0.000 0.244) 0.329 7.255 ( -0.436 0.000 -0.561) 0.710 7.258 ( -0.113 0.000 -0.310) 0.330 7.419 ( -0.183 0.000 0.343) 0.388 7.425 ( 0.190 0.000 0.335) 0.385 7.435 ( 0.123 0.000 -0.246) 0.275 7.440 ( 0.071 0.000 -0.304) 0.312 7.642 ( -0.139 0.000 0.431) 0.453 7.649 ( -0.005 0.000 0.640) 0.640 7.663 ( 0.247 0.000 -0.340) 0.420 7.677 ( 0.118 0.000 -0.452) 0.467 7.726 ( 0.030 0.000 0.094) 0.099 7.728 ( 0.102 0.000 0.163) 0.193 7.736 ( -0.052 0.000 -0.275) 0.280 7.740 ( -0.085 0.000 -0.252) 0.266 16.568 ( -0.158 0.000 0.193) 0.250 16.579 ( 0.019 0.000 -0.268) 0.268 16.618 ( -1.115 0.000 0.270) 1.147 16.635 ( -0.234 0.000 -0.393) 0.457 16.874 ( -0.190 0.000 0.322) 0.374 16.889 ( 0.131 0.000 -0.301) 0.328 16.901 ( -0.805 0.000 0.473) 0.934 16.921 ( 4.308 0.000 -0.306) 4.319 17.062 ( -0.014 0.000 0.160) 0.160 17.075 ( 1.609 0.000 -0.384) 1.654 17.094 ( 0.995 0.000 1.131) 1.506 17.108 ( 0.283 0.000 0.609) 0.671 17.334 ( 0.764 0.000 0.120) 0.773 17.335 ( 0.137 0.000 -0.083) 0.160 17.372 ( 1.584 0.000 -0.246) 1.603 17.382 ( -1.430 0.000 -0.528) 1.524 17.726 ( -0.511 0.000 -0.144) 0.531 17.727 ( 0.524 0.000 -0.383) 0.649 17.805 ( 1.413 0.000 2.035) 2.477 17.907 ( -1.570 0.000 -1.981) 2.527 18.229 ( 0.278 0.000 2.095) 2.114 18.252 ( -2.120 0.000 0.406) 2.159 18.268 ( -0.226 0.000 0.543) 0.588 18.302 ( -3.596 0.000 -0.518) 3.633 18.328 ( -1.152 0.000 2.491) 2.745 18.336 ( 0.023 0.000 3.436) 3.436 18.449 ( 1.077 0.000 -1.552) 1.889 18.486 ( 1.972 0.000 0.031) 1.972 18.630 ( 0.205 0.000 -0.598) 0.633 18.640 ( 0.402 0.000 -3.430) 3.453 18.657 ( -0.045 0.000 -1.404) 1.404 18.698 ( -2.374 0.000 -3.490) 4.221 18.794 ( 3.341 0.000 0.196) 3.347 18.815 ( -1.646 0.000 -0.295) 1.672 18.864 ( 4.853 0.000 0.809) 4.920 18.897 ( -3.259 0.000 -0.817) 3.360 19.301 ( -3.276 0.000 1.046) 3.439 19.306 ( -3.985 0.000 0.854) 4.075 19.323 ( 2.602 0.000 -0.117) 2.605 19.335 ( 2.061 0.000 -0.311) 2.084 19.961 ( 2.704 0.000 0.342) 2.726 19.966 ( -1.804 0.000 0.043) 1.805 19.993 ( -2.970 0.000 0.334) 2.989 20.002 ( 2.775 0.000 0.255) 2.786 20.245 ( -2.119 0.000 2.234) 3.079 20.271 ( -1.701 0.000 2.635) 3.136 20.372 ( 1.372 0.000 -2.438) 2.798 20.400 ( 1.100 0.000 -2.485) 2.718 ======================= Grid point 26 (11/30) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 13.658 0.000 10.941) 17.500 0.619 ( 11.354 0.000 9.216) 14.624 0.692 ( 6.089 0.000 -1.640) 6.306 0.861 ( -12.627 0.000 -4.033) 13.256 0.957 ( -3.367 0.000 -0.038) 3.367 0.990 ( 5.432 0.000 5.692) 7.869 1.013 ( 2.437 0.000 4.649) 5.249 1.053 ( 1.113 0.000 -10.395) 10.455 1.096 ( 5.591 0.000 9.359) 10.902 1.114 ( 0.078 0.000 0.771) 0.775 1.218 ( 6.806 0.000 4.284) 8.042 1.230 ( -0.578 0.000 -9.526) 9.544 1.292 ( -4.704 0.000 0.875) 4.785 1.293 ( -0.914 0.000 -4.586) 4.677 1.368 ( 3.972 0.000 -3.283) 5.153 1.370 ( -0.589 0.000 2.931) 2.990 1.382 ( -0.086 0.000 -0.574) 0.580 1.403 ( 1.948 0.000 2.553) 3.212 1.429 ( 4.120 0.000 -1.776) 4.486 1.434 ( -4.189 0.000 0.988) 4.304 1.480 ( -0.213 0.000 0.735) 0.765 1.523 ( -5.876 0.000 -2.247) 6.291 1.532 ( -2.738 0.000 7.241) 7.741 1.579 ( -1.201 0.000 0.843) 1.467 1.629 ( -4.872 0.000 -2.277) 5.377 1.629 ( 2.290 0.000 3.908) 4.529 1.654 ( -2.999 0.000 1.122) 3.202 1.672 ( -3.185 0.000 -4.286) 5.340 1.694 ( 7.389 0.000 0.788) 7.431 1.712 ( 0.863 0.000 3.731) 3.829 1.734 ( -3.597 0.000 5.467) 6.544 1.742 ( -0.298 0.000 1.284) 1.319 1.796 ( 0.931 0.000 -0.975) 1.348 1.873 ( 1.498 0.000 2.749) 3.131 1.891 ( 2.602 0.000 -3.906) 4.693 1.936 ( -4.593 0.000 -0.484) 4.618 1.954 ( 4.601 0.000 1.258) 4.770 1.986 ( -0.201 0.000 -1.209) 1.226 2.006 ( -2.928 0.000 -2.315) 3.733 2.012 ( 1.257 0.000 -1.197) 1.735 2.085 ( -2.966 0.000 2.597) 3.942 2.097 ( 5.542 0.000 4.443) 7.104 2.119 ( 2.686 0.000 -0.688) 2.773 2.151 ( 0.568 0.000 -0.581) 0.812 2.179 ( 0.297 0.000 -1.475) 1.504 2.195 ( -0.233 0.000 -1.049) 1.075 2.227 ( 1.661 0.000 1.726) 2.395 2.255 ( 2.856 0.000 2.723) 3.946 2.282 ( -0.192 0.000 1.592) 1.603 2.343 ( 4.230 0.000 3.102) 5.245 2.361 ( 3.888 0.000 3.292) 5.094 2.372 ( -3.356 0.000 -1.653) 3.741 2.407 ( 1.431 0.000 2.822) 3.164 2.426 ( 0.418 0.000 -3.382) 3.408 2.473 ( -1.344 0.000 1.416) 1.953 2.512 ( -4.518 0.000 1.611) 4.796 2.534 ( -2.866 0.000 -2.075) 3.539 2.589 ( -0.608 0.000 -0.860) 1.053 2.595 ( 1.235 0.000 -1.394) 1.863 2.655 ( -7.518 0.000 -0.806) 7.561 2.665 ( -0.926 0.000 -2.177) 2.366 2.676 ( -3.146 0.000 -1.665) 3.559 2.704 ( -2.403 0.000 0.029) 2.403 2.719 ( -0.570 0.000 1.135) 1.270 2.787 ( -1.051 0.000 -1.336) 1.700 2.829 ( -4.423 0.000 -2.425) 5.044 2.829 ( -0.279 0.000 0.563) 0.629 2.836 ( -6.467 0.000 0.012) 6.467 2.844 ( 0.709 0.000 1.432) 1.598 2.888 ( -5.629 0.000 0.495) 5.650 2.950 ( -2.515 0.000 1.126) 2.756 2.951 ( -0.733 0.000 -3.139) 3.223 2.983 ( 0.452 0.000 2.876) 2.912 2.991 ( 0.087 0.000 -3.158) 3.160 3.085 ( -0.646 0.000 1.110) 1.284 3.086 ( -0.110 0.000 3.955) 3.957 3.114 ( 1.550 0.000 -2.781) 3.184 3.154 ( 5.431 0.000 0.478) 5.452 3.163 ( -1.427 0.000 -1.560) 2.114 3.222 ( -0.898 0.000 1.208) 1.505 3.258 ( 4.447 0.000 2.348) 5.029 3.281 ( 0.492 0.000 0.808) 0.946 3.346 ( 1.178 0.000 0.102) 1.183 3.361 ( -0.626 0.000 -3.123) 3.185 3.417 ( -4.864 0.000 -1.700) 5.153 3.495 ( -2.627 0.000 -2.596) 3.693 3.511 ( 0.196 0.000 1.631) 1.643 3.552 ( 0.304 0.000 1.466) 1.497 3.606 ( 0.681 0.000 -2.572) 2.661 3.634 ( 0.627 0.000 -3.774) 3.826 3.659 ( 1.425 0.000 -4.872) 5.076 3.672 ( 2.283 0.000 -3.746) 4.387 3.681 ( 1.574 0.000 0.384) 1.620 3.692 ( 1.902 0.000 -3.719) 4.177 3.693 ( 3.064 0.000 -2.318) 3.842 3.713 ( 2.512 0.000 -4.132) 4.835 3.960 ( 0.345 0.000 -0.498) 0.606 3.974 ( -0.106 0.000 -0.205) 0.230 3.990 ( -0.660 0.000 2.194) 2.291 4.014 ( 1.757 0.000 0.458) 1.815 4.016 ( 0.203 0.000 1.455) 1.469 4.020 ( 2.525 0.000 1.663) 3.024 4.030 ( 0.579 0.000 5.674) 5.703 4.067 ( -0.357 0.000 -0.461) 0.583 4.081 ( 1.385 0.000 0.670) 1.538 4.102 ( -1.277 0.000 -2.307) 2.637 4.144 ( 0.532 0.000 2.525) 2.581 4.145 ( -0.887 0.000 -1.914) 2.110 4.212 ( 0.231 0.000 0.883) 0.913 4.223 ( 1.426 0.000 1.080) 1.789 4.253 ( -1.261 0.000 -0.877) 1.536 4.285 ( 0.821 0.000 0.990) 1.286 4.322 ( -1.668 0.000 3.119) 3.537 4.381 ( -1.436 0.000 3.139) 3.452 4.449 ( -0.893 0.000 -2.948) 3.080 4.467 ( -2.229 0.000 -2.454) 3.316 4.540 ( -1.101 0.000 -1.772) 2.087 4.579 ( -2.181 0.000 -1.694) 2.761 4.609 ( 1.418 0.000 0.596) 1.538 4.661 ( 2.529 0.000 0.794) 2.651 4.718 ( -1.663 0.000 1.968) 2.577 4.761 ( -0.709 0.000 0.098) 0.716 4.796 ( 0.860 0.000 0.274) 0.902 4.826 ( 0.629 0.000 0.299) 0.696 4.859 ( 0.976 0.000 0.935) 1.351 4.866 ( 0.941 0.000 -1.063) 1.420 4.880 ( 2.805 0.000 2.315) 3.637 4.903 ( 1.733 0.000 2.470) 3.017 5.095 ( -0.444 0.000 -0.225) 0.498 5.122 ( -3.642 0.000 -0.668) 3.702 5.128 ( -0.261 0.000 -0.197) 0.327 5.135 ( -0.506 0.000 -0.345) 0.612 5.286 ( -4.505 0.000 -2.799) 5.303 5.338 ( -4.334 0.000 -3.230) 5.405 5.439 ( 2.395 0.000 1.347) 2.747 5.475 ( 4.159 0.000 1.376) 4.381 5.549 ( 0.456 0.000 1.017) 1.115 5.575 ( 1.264 0.000 -0.525) 1.369 5.583 ( -0.376 0.000 0.892) 0.968 5.623 ( -0.711 0.000 -1.067) 1.282 5.883 ( -0.266 0.000 0.067) 0.274 5.929 ( -1.083 0.000 -0.171) 1.096 5.938 ( 2.153 0.000 0.130) 2.157 6.001 ( 2.233 0.000 0.377) 2.264 6.515 ( -0.376 0.000 1.676) 1.718 6.539 ( -0.180 0.000 2.498) 2.505 6.601 ( -0.070 0.000 -2.767) 2.768 6.640 ( -0.467 0.000 -2.099) 2.150 6.721 ( -0.667 0.000 -1.085) 1.274 6.754 ( 2.031 0.000 1.213) 2.366 6.772 ( -2.034 0.000 -0.339) 2.062 6.822 ( 1.214 0.000 2.041) 2.374 6.897 ( -0.871 0.000 -1.411) 1.658 6.899 ( 1.848 0.000 1.509) 2.386 6.934 ( -1.403 0.000 -1.645) 2.162 6.950 ( -0.126 0.000 1.215) 1.222 6.984 ( 0.648 0.000 1.008) 1.198 7.019 ( -1.500 0.000 -0.358) 1.542 7.040 ( 0.783 0.000 -0.777) 1.103 7.071 ( 0.854 0.000 -0.136) 0.865 7.151 ( -0.484 0.000 0.172) 0.514 7.161 ( -0.201 0.000 0.420) 0.466 7.170 ( -0.792 0.000 -0.837) 1.152 7.186 ( 0.005 0.000 -0.499) 0.500 7.243 ( 0.341 0.000 0.393) 0.520 7.249 ( -0.025 0.000 0.198) 0.199 7.250 ( 0.113 0.000 0.015) 0.114 7.256 ( 0.075 0.000 0.233) 0.245 7.417 ( -0.198 0.000 0.305) 0.363 7.429 ( 0.013 0.000 0.080) 0.081 7.436 ( 0.097 0.000 -0.218) 0.238 7.439 ( 0.018 0.000 -0.343) 0.343 7.641 ( -0.103 0.000 0.379) 0.393 7.652 ( -0.036 0.000 0.563) 0.564 7.666 ( 0.207 0.000 -0.422) 0.470 7.676 ( 0.075 0.000 -0.537) 0.542 7.727 ( 0.027 0.000 0.110) 0.114 7.731 ( -0.009 0.000 0.200) 0.200 7.732 ( -0.145 0.000 -0.240) 0.281 7.734 ( -0.203 0.000 -0.270) 0.338 16.567 ( 0.025 0.000 0.237) 0.238 16.578 ( 0.047 0.000 -0.118) 0.127 16.635 ( 1.198 0.000 0.213) 1.216 16.637 ( 0.446 0.000 0.008) 0.446 16.868 ( -0.490 0.000 0.620) 0.790 16.892 ( -0.125 0.000 0.224) 0.256 16.901 ( 1.090 0.000 -0.534) 1.214 16.975 ( 1.177 0.000 -1.713) 2.079 17.067 ( 0.300 0.000 -0.182) 0.351 17.084 ( 0.116 0.000 -1.313) 1.318 17.114 ( 0.223 0.000 -0.896) 0.923 17.126 ( 1.478 0.000 0.420) 1.536 17.318 ( -1.404 0.000 -0.000) 1.404 17.325 ( -2.990 0.000 -1.135) 3.198 17.328 ( -0.485 0.000 0.173) 0.515 17.397 ( 0.021 0.000 -0.517) 0.518 17.760 ( 3.659 0.000 -0.369) 3.677 17.768 ( 2.835 0.000 -0.104) 2.837 17.856 ( 1.725 0.000 2.234) 2.822 17.859 ( -1.817 0.000 -2.012) 2.712 18.189 ( -2.991 0.000 0.392) 3.016 18.225 ( -2.960 0.000 0.019) 2.960 18.235 ( -0.788 0.000 2.575) 2.693 18.248 ( -1.350 0.000 4.143) 4.357 18.359 ( 1.901 0.000 1.653) 2.519 18.390 ( 1.685 0.000 1.473) 2.238 18.446 ( -0.339 0.000 -1.752) 1.784 18.496 ( -1.093 0.000 -0.613) 1.253 18.629 ( -0.047 0.000 -0.007) 0.047 18.644 ( -0.548 0.000 -1.334) 1.442 18.657 ( 2.375 0.000 -3.403) 4.150 18.676 ( 1.586 0.000 -1.891) 2.468 18.783 ( -0.339 0.000 -0.103) 0.354 18.820 ( -3.015 0.000 -1.303) 3.284 18.869 ( 2.927 0.000 -0.887) 3.059 18.969 ( 4.087 0.000 -0.289) 4.097 19.221 ( -3.749 0.000 1.058) 3.895 19.228 ( -3.107 0.000 2.082) 3.740 19.379 ( 1.811 0.000 0.306) 1.837 19.387 ( 2.166 0.000 0.371) 2.197 19.940 ( 0.026 0.000 -0.721) 0.722 19.967 ( -0.342 0.000 -0.743) 0.818 20.023 ( 2.273 0.000 0.423) 2.312 20.065 ( 2.089 0.000 0.172) 2.097 20.203 ( -2.280 0.000 2.572) 3.437 20.245 ( -1.668 0.000 2.610) 3.098 20.382 ( 0.711 0.000 -2.065) 2.184 20.402 ( 0.164 0.000 -2.154) 2.160 ======================= Grid point 27 (12/30) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -14.590 0.000 -0.837) 14.614 0.707 ( -10.577 0.000 -1.387) 10.667 0.799 ( 2.568 0.000 -6.217) 6.726 0.835 ( 11.757 0.000 7.644) 14.023 0.947 ( -2.182 0.000 3.568) 4.183 0.968 ( 9.735 0.000 6.260) 11.575 1.055 ( 4.410 0.000 -7.226) 8.465 1.087 ( -5.967 0.000 -0.189) 5.970 1.128 ( -10.121 0.000 0.944) 10.165 1.129 ( 1.130 0.000 -6.559) 6.655 1.158 ( -0.060 0.000 -1.514) 1.515 1.192 ( -1.854 0.000 2.027) 2.747 1.266 ( -2.188 0.000 -4.573) 5.070 1.282 ( -4.086 0.000 2.281) 4.680 1.348 ( -0.239 0.000 0.851) 0.883 1.352 ( -0.438 0.000 0.384) 0.582 1.384 ( -2.108 0.000 -3.800) 4.346 1.400 ( 0.910 0.000 2.847) 2.989 1.423 ( 1.961 0.000 -1.199) 2.299 1.460 ( -1.274 0.000 2.034) 2.400 1.491 ( -3.367 0.000 -4.567) 5.674 1.511 ( -0.381 0.000 5.167) 5.181 1.523 ( 2.540 0.000 2.181) 3.347 1.553 ( 6.226 0.000 -0.904) 6.291 1.559 ( -6.773 0.000 4.520) 8.143 1.604 ( -0.260 0.000 0.414) 0.489 1.637 ( -0.156 0.000 -1.762) 1.769 1.651 ( 1.273 0.000 5.632) 5.774 1.726 ( 0.872 0.000 1.190) 1.475 1.747 ( 2.928 0.000 5.215) 5.981 1.781 ( 1.180 0.000 3.910) 4.084 1.814 ( -5.522 0.000 -0.524) 5.547 1.835 ( 3.025 0.000 -0.806) 3.131 1.893 ( 3.543 0.000 0.325) 3.558 1.908 ( 3.866 0.000 4.378) 5.841 1.913 ( 1.133 0.000 -3.270) 3.461 1.954 ( -1.293 0.000 -1.299) 1.833 2.022 ( 3.359 0.000 3.714) 5.008 2.038 ( -0.744 0.000 -0.369) 0.830 2.043 ( 1.142 0.000 2.519) 2.766 2.066 ( -1.499 0.000 0.237) 1.518 2.102 ( 0.053 0.000 1.888) 1.889 2.107 ( 1.565 0.000 0.199) 1.578 2.157 ( -0.076 0.000 -2.561) 2.562 2.217 ( -0.290 0.000 0.618) 0.682 2.264 ( -3.876 0.000 2.735) 4.744 2.266 ( -0.393 0.000 2.146) 2.181 2.300 ( -0.872 0.000 5.742) 5.808 2.326 ( 7.666 0.000 2.036) 7.931 2.335 ( -6.071 0.000 -5.050) 7.897 2.351 ( 3.112 0.000 2.562) 4.031 2.363 ( -3.433 0.000 0.268) 3.444 2.408 ( -1.174 0.000 -0.217) 1.194 2.421 ( -1.324 0.000 -0.008) 1.324 2.443 ( -3.620 0.000 1.921) 4.098 2.486 ( 2.035 0.000 0.186) 2.044 2.525 ( -2.469 0.000 0.620) 2.546 2.563 ( 7.779 0.000 1.474) 7.918 2.612 ( -1.000 0.000 -2.083) 2.311 2.624 ( 3.788 0.000 -0.186) 3.792 2.644 ( 1.235 0.000 -1.920) 2.283 2.659 ( 3.843 0.000 4.016) 5.559 2.680 ( 0.009 0.000 -0.045) 0.046 2.717 ( -3.356 0.000 -1.551) 3.697 2.745 ( -0.823 0.000 -1.196) 1.452 2.750 ( 1.532 0.000 -5.272) 5.490 2.768 ( -3.560 0.000 -2.591) 4.403 2.772 ( 1.510 0.000 -0.231) 1.528 2.805 ( -2.702 0.000 1.235) 2.971 2.824 ( -4.152 0.000 -1.778) 4.517 2.921 ( 1.089 0.000 -4.297) 4.433 2.959 ( -1.980 0.000 -6.226) 6.533 2.967 ( 3.268 0.000 2.377) 4.041 3.017 ( -5.628 0.000 0.266) 5.634 3.017 ( -0.189 0.000 2.919) 2.925 3.085 ( -0.390 0.000 3.059) 3.084 3.135 ( 1.647 0.000 -0.535) 1.732 3.141 ( -2.088 0.000 -1.496) 2.568 3.179 ( 0.613 0.000 -2.584) 2.655 3.236 ( 1.451 0.000 2.489) 2.881 3.290 ( -3.575 0.000 -1.731) 3.972 3.305 ( 0.500 0.000 1.610) 1.686 3.329 ( 1.079 0.000 0.692) 1.282 3.365 ( 1.320 0.000 -2.823) 3.116 3.423 ( 1.599 0.000 0.406) 1.650 3.484 ( 3.865 0.000 1.814) 4.270 3.522 ( -0.200 0.000 1.498) 1.512 3.555 ( -0.829 0.000 0.898) 1.222 3.586 ( -0.340 0.000 -3.219) 3.237 3.648 ( 1.636 0.000 -1.302) 2.091 3.650 ( 0.122 0.000 -5.113) 5.115 3.685 ( 0.939 0.000 -4.797) 4.888 3.691 ( -0.717 0.000 -0.669) 0.981 3.698 ( 1.230 0.000 -5.555) 5.690 3.726 ( 0.726 0.000 -2.296) 2.408 3.733 ( 1.205 0.000 -2.588) 2.855 3.973 ( -0.167 0.000 1.513) 1.522 3.979 ( 0.990 0.000 0.899) 1.338 3.999 ( 0.193 0.000 2.433) 2.441 4.015 ( -0.198 0.000 1.078) 1.097 4.037 ( -1.183 0.000 1.272) 1.738 4.044 ( -0.159 0.000 3.236) 3.239 4.055 ( -1.430 0.000 0.872) 1.675 4.080 ( 0.195 0.000 0.524) 0.559 4.099 ( 1.934 0.000 -1.147) 2.249 4.104 ( -0.863 0.000 -0.008) 0.863 4.114 ( -2.870 0.000 -0.424) 2.901 4.122 ( 1.042 0.000 -0.538) 1.173 4.228 ( 0.496 0.000 1.311) 1.402 4.241 ( -3.185 0.000 0.768) 3.277 4.262 ( 1.322 0.000 0.337) 1.364 4.263 ( 1.768 0.000 0.874) 1.972 4.334 ( -1.319 0.000 2.728) 3.030 4.358 ( -1.005 0.000 2.896) 3.066 4.434 ( 0.811 0.000 -2.074) 2.227 4.444 ( 1.478 0.000 -1.595) 2.175 4.532 ( 0.664 0.000 -1.157) 1.334 4.566 ( 1.878 0.000 -1.063) 2.158 4.570 ( -2.662 0.000 -3.185) 4.151 4.618 ( -4.255 0.000 -4.824) 6.433 4.701 ( -0.412 0.000 1.790) 1.837 4.754 ( -0.076 0.000 0.152) 0.170 4.795 ( -1.090 0.000 -1.679) 2.001 4.811 ( -2.054 0.000 -2.472) 3.214 4.878 ( 0.194 0.000 1.639) 1.650 4.881 ( 0.392 0.000 1.635) 1.681 4.934 ( -0.443 0.000 1.576) 1.637 4.938 ( 0.347 0.000 2.839) 2.860 5.103 ( 1.061 0.000 1.070) 1.507 5.126 ( 4.330 0.000 3.888) 5.819 5.132 ( 0.641 0.000 0.395) 0.753 5.151 ( 0.422 0.000 1.374) 1.438 5.272 ( 3.407 0.000 0.579) 3.456 5.324 ( 4.410 0.000 0.768) 4.476 5.409 ( -4.075 0.000 -3.619) 5.450 5.473 ( -3.924 0.000 -3.074) 4.985 5.555 ( -0.218 0.000 0.948) 0.972 5.581 ( -0.244 0.000 0.875) 0.908 5.595 ( -0.851 0.000 -0.756) 1.139 5.614 ( 1.570 0.000 -0.270) 1.593 5.890 ( 0.626 0.000 0.834) 1.043 5.931 ( 1.059 0.000 1.164) 1.573 5.947 ( -1.288 0.000 -1.414) 1.913 6.003 ( -1.626 0.000 -1.677) 2.335 6.512 ( -0.650 0.000 1.482) 1.619 6.543 ( -0.693 0.000 2.229) 2.334 6.600 ( 1.089 0.000 -2.204) 2.458 6.634 ( 0.950 0.000 -1.156) 1.497 6.732 ( 1.609 0.000 0.164) 1.617 6.762 ( -1.530 0.000 -0.726) 1.694 6.764 ( 1.249 0.000 1.294) 1.798 6.805 ( -2.482 0.000 -0.457) 2.523 6.902 ( 1.375 0.000 0.264) 1.400 6.911 ( -1.590 0.000 -0.062) 1.591 6.942 ( 2.043 0.000 0.567) 2.120 6.950 ( 0.257 0.000 1.698) 1.717 6.979 ( -1.568 0.000 -0.460) 1.634 7.019 ( 1.252 0.000 1.189) 1.727 7.040 ( -0.257 0.000 -1.478) 1.500 7.072 ( -0.520 0.000 -0.899) 1.038 7.142 ( -0.252 0.000 -0.136) 0.287 7.149 ( -0.696 0.000 -0.945) 1.174 7.159 ( -0.115 0.000 0.335) 0.354 7.179 ( -0.236 0.000 -0.759) 0.795 7.248 ( -0.193 0.000 0.328) 0.380 7.252 ( 0.173 0.000 0.507) 0.536 7.257 ( 0.364 0.000 0.318) 0.483 7.262 ( 0.227 0.000 0.415) 0.474 7.416 ( -0.048 0.000 0.357) 0.361 7.430 ( 0.018 0.000 0.077) 0.079 7.435 ( -0.009 0.000 -0.312) 0.313 7.439 ( 0.084 0.000 -0.319) 0.330 7.642 ( -0.067 0.000 0.373) 0.379 7.652 ( -0.245 0.000 0.422) 0.488 7.665 ( -0.035 0.000 -0.568) 0.569 7.676 ( 0.124 0.000 -0.536) 0.550 7.727 ( -0.054 0.000 0.019) 0.057 7.730 ( -0.156 0.000 0.079) 0.175 7.731 ( 0.147 0.000 -0.110) 0.184 7.733 ( 0.188 0.000 -0.101) 0.213 16.570 ( 0.129 0.000 0.371) 0.393 16.580 ( 0.049 0.000 0.009) 0.050 16.645 ( 0.158 0.000 0.410) 0.439 16.651 ( 0.366 0.000 0.288) 0.465 16.868 ( 0.022 0.000 1.077) 1.078 16.898 ( 0.342 0.000 1.119) 1.170 16.914 ( 0.149 0.000 -0.907) 0.919 16.979 ( 0.544 0.000 -0.987) 1.127 17.067 ( -0.016 0.000 -0.621) 0.621 17.079 ( 0.137 0.000 -1.192) 1.200 17.114 ( 0.158 0.000 -1.588) 1.596 17.128 ( -1.390 0.000 -1.334) 1.926 17.297 ( -0.471 0.000 -0.167) 0.499 17.297 ( 0.770 0.000 -0.142) 0.783 17.333 ( 0.966 0.000 0.864) 1.296 17.379 ( -0.807 0.000 -1.530) 1.729 17.802 ( 0.292 0.000 -0.254) 0.387 17.812 ( -2.205 0.000 -0.946) 2.399 17.839 ( 3.832 0.000 0.092) 3.833 17.846 ( -3.227 0.000 -0.361) 3.248 18.195 ( 2.133 0.000 3.497) 4.096 18.217 ( 2.211 0.000 2.370) 3.241 18.232 ( -0.592 0.000 2.507) 2.576 18.264 ( 0.454 0.000 4.437) 4.460 18.359 ( -1.660 0.000 -0.412) 1.711 18.368 ( -3.255 0.000 -2.374) 4.029 18.432 ( 0.215 0.000 -2.220) 2.231 18.458 ( -1.388 0.000 -2.101) 2.518 18.635 ( 0.258 0.000 0.186) 0.318 18.662 ( 1.845 0.000 1.601) 2.443 18.686 ( 1.704 0.000 -2.455) 2.988 18.720 ( 2.805 0.000 -0.600) 2.868 18.781 ( -0.142 0.000 -0.426) 0.449 18.817 ( 3.074 0.000 2.056) 3.698 18.848 ( -3.482 0.000 -4.466) 5.663 18.948 ( -4.512 0.000 -4.379) 6.287 19.229 ( 2.754 0.000 4.769) 5.507 19.255 ( 3.232 0.000 5.195) 6.118 19.373 ( -1.912 0.000 -1.798) 2.624 19.390 ( -1.693 0.000 -1.423) 2.211 19.971 ( 1.376 0.000 0.844) 1.614 19.981 ( 3.023 0.000 0.746) 3.114 20.019 ( -2.595 0.000 -1.171) 2.847 20.039 ( -2.936 0.000 -2.402) 3.794 20.219 ( 1.320 0.000 4.126) 4.332 20.250 ( 0.592 0.000 3.257) 3.310 20.380 ( 0.113 0.000 -2.612) 2.614 20.389 ( -0.074 0.000 -2.461) 2.463 ======================= Grid point 28 (13/30) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( -12.069 0.000 5.261) 13.166 0.448 ( -13.758 0.000 9.639) 16.799 0.704 ( -13.335 0.000 9.338) 16.279 0.754 ( -13.688 0.000 9.007) 16.385 0.919 ( -7.546 0.000 -3.204) 8.198 0.977 ( 2.915 0.000 -0.651) 2.986 1.003 ( -7.384 0.000 1.033) 7.456 1.035 ( -0.319 0.000 -3.601) 3.616 1.096 ( 0.954 0.000 -5.138) 5.226 1.172 ( 2.808 0.000 -0.222) 2.817 1.172 ( 1.757 0.000 0.265) 1.777 1.189 ( 3.992 0.000 -1.458) 4.250 1.197 ( 1.277 0.000 -6.280) 6.408 1.253 ( -1.027 0.000 4.837) 4.945 1.335 ( -2.220 0.000 -0.398) 2.256 1.348 ( 0.394 0.000 5.185) 5.199 1.353 ( -0.506 0.000 -2.808) 2.853 1.428 ( -0.272 0.000 2.455) 2.470 1.450 ( -1.527 0.000 -0.344) 1.566 1.473 ( 1.457 0.000 -1.025) 1.781 1.478 ( 4.880 0.000 0.778) 4.941 1.484 ( 1.547 0.000 -1.597) 2.223 1.509 ( 0.221 0.000 2.588) 2.597 1.578 ( -3.459 0.000 0.349) 3.477 1.596 ( 1.457 0.000 0.974) 1.752 1.612 ( 1.013 0.000 1.226) 1.591 1.692 ( -5.034 0.000 3.369) 6.057 1.697 ( 6.319 0.000 -0.224) 6.323 1.751 ( -3.684 0.000 5.155) 6.336 1.779 ( -0.885 0.000 1.146) 1.448 1.803 ( 7.556 0.000 0.368) 7.565 1.838 ( 1.676 0.000 1.424) 2.199 1.883 ( 1.201 0.000 -1.804) 2.167 1.894 ( -2.241 0.000 -2.194) 3.137 1.902 ( -0.459 0.000 3.242) 3.274 1.937 ( 1.106 0.000 -2.672) 2.892 1.978 ( -1.977 0.000 -3.016) 3.606 1.983 ( 3.105 0.000 2.665) 4.092 2.041 ( -3.564 0.000 2.871) 4.576 2.055 ( -2.711 0.000 0.746) 2.812 2.109 ( 3.890 0.000 1.383) 4.129 2.112 ( -0.043 0.000 -0.899) 0.900 2.146 ( -0.293 0.000 0.029) 0.295 2.158 ( -5.661 0.000 -0.310) 5.669 2.195 ( -1.251 0.000 -0.995) 1.599 2.202 ( -0.311 0.000 -0.320) 0.446 2.238 ( -2.064 0.000 -2.662) 3.368 2.238 ( 2.516 0.000 3.031) 3.940 2.265 ( -0.907 0.000 1.600) 1.840 2.309 ( -0.871 0.000 2.291) 2.451 2.353 ( -5.177 0.000 1.894) 5.513 2.357 ( -3.385 0.000 1.662) 3.771 2.451 ( 4.263 0.000 1.593) 4.551 2.464 ( 2.259 0.000 0.012) 2.259 2.473 ( 2.347 0.000 -0.362) 2.375 2.540 ( 3.032 0.000 0.755) 3.125 2.556 ( 5.473 0.000 6.775) 8.709 2.569 ( -1.601 0.000 -2.954) 3.360 2.633 ( -5.273 0.000 -3.899) 6.558 2.649 ( -0.866 0.000 -1.347) 1.601 2.657 ( 0.626 0.000 0.020) 0.627 2.679 ( 1.363 0.000 -2.845) 3.154 2.712 ( 1.655 0.000 4.392) 4.694 2.713 ( 2.776 0.000 1.296) 3.064 2.726 ( 2.336 0.000 1.555) 2.807 2.760 ( 2.668 0.000 -0.772) 2.778 2.790 ( 3.076 0.000 -2.316) 3.850 2.793 ( 1.946 0.000 0.618) 2.042 2.810 ( 3.946 0.000 -3.948) 5.582 2.857 ( -3.351 0.000 -3.004) 4.500 2.868 ( 5.281 0.000 1.574) 5.510 2.909 ( 0.396 0.000 -3.819) 3.839 2.939 ( -1.736 0.000 -2.222) 2.819 2.988 ( -2.882 0.000 3.193) 4.302 3.033 ( 0.479 0.000 4.871) 4.894 3.096 ( 0.739 0.000 -0.632) 0.972 3.106 ( 1.397 0.000 1.763) 2.249 3.167 ( -1.917 0.000 -1.021) 2.172 3.188 ( -4.764 0.000 -1.378) 4.959 3.203 ( 1.819 0.000 3.164) 3.650 3.294 ( 0.962 0.000 1.797) 2.038 3.352 ( 2.405 0.000 -2.843) 3.724 3.356 ( 5.765 0.000 3.238) 6.612 3.384 ( 2.088 0.000 -4.932) 5.356 3.480 ( -3.362 0.000 -4.682) 5.764 3.488 ( 3.243 0.000 1.749) 3.684 3.508 ( -2.948 0.000 -1.349) 3.242 3.545 ( 0.979 0.000 0.563) 1.129 3.601 ( 0.944 0.000 0.739) 1.198 3.633 ( 0.084 0.000 -2.694) 2.695 3.655 ( 0.264 0.000 -4.287) 4.295 3.663 ( -0.477 0.000 -2.735) 2.776 3.677 ( 0.538 0.000 -3.023) 3.071 3.691 ( -0.894 0.000 -4.117) 4.213 3.704 ( -1.086 0.000 -2.976) 3.168 3.734 ( -0.005 0.000 -2.994) 2.994 3.937 ( -2.720 0.000 2.689) 3.824 3.970 ( -2.476 0.000 -1.238) 2.769 3.980 ( -2.311 0.000 3.022) 3.805 3.996 ( -1.613 0.000 0.470) 1.680 4.000 ( -3.145 0.000 1.001) 3.301 4.007 ( -1.627 0.000 0.587) 1.730 4.038 ( -0.810 0.000 1.652) 1.840 4.070 ( -1.951 0.000 0.209) 1.963 4.080 ( -0.873 0.000 0.700) 1.119 4.102 ( 0.992 0.000 1.021) 1.424 4.150 ( 2.931 0.000 0.739) 3.022 4.168 ( 1.723 0.000 0.234) 1.739 4.206 ( -0.886 0.000 1.072) 1.391 4.229 ( -2.974 0.000 -0.557) 3.026 4.236 ( -0.348 0.000 0.920) 0.984 4.298 ( 0.808 0.000 0.182) 0.828 4.340 ( 1.151 0.000 2.112) 2.405 4.343 ( -1.652 0.000 0.613) 1.762 4.486 ( 3.657 0.000 -0.276) 3.667 4.503 ( 3.567 0.000 -1.711) 3.956 4.535 ( -0.274 0.000 -0.833) 0.877 4.555 ( 0.328 0.000 -1.298) 1.339 4.570 ( 4.121 0.000 0.666) 4.174 4.603 ( 1.984 0.000 -2.180) 2.947 4.717 ( 0.360 0.000 2.891) 2.913 4.769 ( 0.886 0.000 2.022) 2.207 4.772 ( -0.244 0.000 -1.429) 1.450 4.780 ( 0.893 0.000 -2.067) 2.252 4.872 ( -1.507 0.000 1.811) 2.356 4.881 ( -1.146 0.000 0.427) 1.223 4.920 ( -1.752 0.000 1.975) 2.640 4.934 ( -1.921 0.000 0.929) 2.134 5.150 ( -0.219 0.000 -1.096) 1.117 5.156 ( 3.788 0.000 2.508) 4.543 5.169 ( 2.877 0.000 1.945) 3.473 5.182 ( 0.914 0.000 -1.640) 1.878 5.273 ( -6.515 0.000 -5.580) 8.578 5.313 ( -7.900 0.000 -5.300) 9.513 5.380 ( 5.069 0.000 2.663) 5.726 5.440 ( 3.146 0.000 2.323) 3.911 5.551 ( -0.836 0.000 1.020) 1.319 5.582 ( 0.128 0.000 0.594) 0.608 5.589 ( 0.054 0.000 -0.495) 0.498 5.628 ( 0.398 0.000 -0.827) 0.918 5.905 ( -1.326 0.000 -0.972) 1.644 5.905 ( 0.083 0.000 1.137) 1.140 5.954 ( -1.732 0.000 -1.328) 2.182 5.966 ( 1.105 0.000 1.511) 1.872 6.507 ( -0.481 0.000 1.374) 1.456 6.535 ( -0.930 0.000 2.125) 2.320 6.611 ( 0.995 0.000 -2.290) 2.497 6.653 ( 1.137 0.000 -1.922) 2.233 6.712 ( -2.108 0.000 -0.587) 2.188 6.765 ( -0.901 0.000 -0.451) 1.008 6.768 ( 1.813 0.000 0.939) 2.042 6.822 ( 2.103 0.000 1.895) 2.831 6.868 ( -1.699 0.000 0.411) 1.749 6.917 ( -2.761 0.000 -1.284) 3.045 6.933 ( 1.132 0.000 0.161) 1.144 6.981 ( 0.375 0.000 1.274) 1.328 6.989 ( 1.863 0.000 0.897) 2.067 7.022 ( -0.441 0.000 -1.462) 1.527 7.039 ( 0.209 0.000 0.834) 0.860 7.044 ( -1.545 0.000 -1.440) 2.112 7.142 ( 0.506 0.000 0.476) 0.695 7.143 ( 0.383 0.000 0.025) 0.383 7.160 ( 0.033 0.000 0.305) 0.307 7.175 ( 0.153 0.000 -0.266) 0.307 7.244 ( -0.380 0.000 0.362) 0.525 7.253 ( -0.207 0.000 0.436) 0.483 7.261 ( -0.007 0.000 -0.133) 0.134 7.264 ( -0.164 0.000 -0.154) 0.225 7.418 ( 0.057 0.000 0.415) 0.419 7.429 ( -0.194 0.000 -0.118) 0.227 7.434 ( 0.054 0.000 -0.320) 0.325 7.440 ( 0.132 0.000 -0.289) 0.317 7.642 ( -0.082 0.000 0.441) 0.449 7.649 ( -0.228 0.000 0.496) 0.546 7.662 ( 0.022 0.000 -0.486) 0.486 7.676 ( 0.161 0.000 -0.460) 0.487 7.726 ( -0.059 0.000 0.001) 0.059 7.727 ( -0.050 0.000 0.040) 0.064 7.735 ( 0.238 0.000 -0.144) 0.278 7.738 ( 0.275 0.000 -0.107) 0.296 16.572 ( -0.220 0.000 0.289) 0.363 16.580 ( 0.020 0.000 -0.180) 0.181 16.644 ( -0.391 0.000 0.055) 0.395 16.655 ( -0.129 0.000 -0.125) 0.180 16.873 ( 0.002 0.000 0.687) 0.687 16.899 ( -0.817 0.000 -0.581) 1.002 16.908 ( -0.160 0.000 1.283) 1.293 16.968 ( -3.033 0.000 -5.222) 6.039 17.059 ( -1.028 0.000 -1.911) 2.170 17.066 ( -0.032 0.000 0.034) 0.046 17.089 ( -1.173 0.000 -0.356) 1.226 17.103 ( -0.106 0.000 0.293) 0.312 17.303 ( 1.244 0.000 -0.338) 1.289 17.321 ( 1.190 0.000 -0.208) 1.208 17.363 ( 0.073 0.000 -1.182) 1.184 17.372 ( 1.951 0.000 0.727) 2.082 17.761 ( -2.505 0.000 0.221) 2.515 17.763 ( -3.523 0.000 -0.604) 3.574 17.794 ( -0.728 0.000 0.324) 0.797 17.904 ( 2.189 0.000 0.337) 2.215 18.227 ( -0.935 0.000 1.395) 1.679 18.249 ( 1.527 0.000 2.137) 2.626 18.271 ( -0.969 0.000 -0.855) 1.292 18.308 ( 3.054 0.000 3.580) 4.706 18.310 ( -0.622 0.000 0.818) 1.027 18.353 ( 0.616 0.000 2.948) 3.012 18.429 ( 0.593 0.000 -2.169) 2.248 18.450 ( 1.781 0.000 -1.946) 2.638 18.634 ( -0.180 0.000 -0.619) 0.645 18.672 ( -0.798 0.000 -0.431) 0.907 18.681 ( -1.740 0.000 -2.674) 3.190 18.759 ( -0.504 0.000 -5.475) 5.498 18.767 ( 0.578 0.000 1.287) 1.410 18.812 ( 1.695 0.000 1.256) 2.109 18.827 ( -3.534 0.000 -3.365) 4.880 18.896 ( 2.725 0.000 2.610) 3.773 19.307 ( 1.628 0.000 3.857) 4.187 19.318 ( -1.555 0.000 -2.413) 2.871 19.330 ( 0.922 0.000 3.653) 3.767 19.337 ( -1.649 0.000 -2.162) 2.719 19.952 ( -1.857 0.000 -1.596) 2.448 19.985 ( -0.930 0.000 -1.665) 1.907 19.987 ( -0.383 0.000 1.424) 1.475 20.045 ( 1.023 0.000 0.301) 1.067 20.253 ( -0.022 0.000 3.246) 3.246 20.275 ( -0.047 0.000 3.147) 3.147 20.363 ( 0.291 0.000 -3.320) 3.332 20.389 ( 1.144 0.000 -2.787) 3.013 ======================= Grid point 29 (14/30) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 5.216 11.291 9.973) 15.942 0.549 ( 3.003 8.403 15.569) 17.945 0.718 ( -0.878 11.190 12.364) 16.699 0.768 ( 2.991 -0.193 18.560) 18.800 0.820 ( 1.327 0.599 -0.016) 1.456 0.885 ( 3.195 -3.233 3.323) 5.630 1.006 ( -0.358 -0.161 1.468) 1.519 1.057 ( -2.571 1.567 -2.090) 3.665 1.108 ( 2.344 1.110 -4.751) 5.413 1.139 ( -0.737 -0.873 -7.285) 7.374 1.153 ( 0.111 -2.704 -2.465) 3.661 1.222 ( -1.312 -3.172 -3.829) 5.142 1.254 ( 2.576 0.480 1.213) 2.888 1.306 ( 0.712 0.950 3.273) 3.481 1.334 ( 2.346 -0.153 -0.626) 2.433 1.353 ( -0.233 -0.759 -2.220) 2.358 1.370 ( 0.988 0.117 0.075) 0.997 1.385 ( -0.850 -0.839 0.389) 1.256 1.425 ( 0.001 -1.563 0.118) 1.568 1.448 ( 0.557 -2.291 0.655) 2.447 1.493 ( 1.593 -0.780 0.395) 1.817 1.504 ( 2.346 0.204 1.443) 2.762 1.542 ( 1.807 -1.121 4.979) 5.415 1.560 ( 0.579 1.212 -1.200) 1.801 1.622 ( -1.597 -2.235 0.934) 2.901 1.644 ( -0.887 0.836 0.117) 1.225 1.649 ( -0.573 -1.098 3.963) 4.152 1.681 ( -2.389 -0.382 3.531) 4.280 1.693 ( -1.524 -0.706 1.155) 2.038 1.761 ( -3.481 -1.856 -0.105) 3.947 1.777 ( -3.883 -0.586 -0.044) 3.927 1.796 ( -0.672 -0.243 -4.173) 4.234 1.848 ( -2.986 1.108 -1.582) 3.556 1.866 ( -3.454 -0.749 -1.498) 3.839 1.901 ( -1.357 1.683 -3.079) 3.762 1.933 ( 0.280 -0.398 -0.239) 0.542 1.947 ( -0.243 0.407 -3.358) 3.391 1.975 ( -2.663 -1.524 0.571) 3.121 2.017 ( 1.498 0.152 -0.756) 1.685 2.057 ( -1.187 -0.229 -3.270) 3.487 2.098 ( -0.625 1.733 -0.948) 2.071 2.100 ( -2.316 0.801 -0.631) 2.530 2.124 ( 0.287 0.926 0.281) 1.010 2.161 ( -0.782 0.271 -0.778) 1.136 2.181 ( 0.155 -0.024 -2.006) 2.012 2.187 ( -0.347 0.379 -1.951) 2.018 2.207 ( -0.601 -0.086 -0.029) 0.608 2.238 ( 2.191 0.707 2.177) 3.168 2.281 ( -1.262 -1.027 2.942) 3.361 2.298 ( 0.828 0.475 2.437) 2.617 2.347 ( 0.335 0.414 2.759) 2.810 2.369 ( -0.268 3.688 0.749) 3.773 2.410 ( -1.897 -2.177 -1.954) 3.487 2.467 ( -2.248 0.312 -1.058) 2.504 2.482 ( -1.092 0.893 -0.762) 1.603 2.545 ( -0.232 0.654 -3.730) 3.794 2.562 ( 0.935 -1.876 0.109) 2.098 2.598 ( 0.216 -3.339 1.578) 3.699 2.619 ( 0.017 -0.274 -0.889) 0.930 2.640 ( -2.123 0.725 1.337) 2.611 2.690 ( 0.040 -1.738 2.706) 3.217 2.704 ( 2.422 0.444 0.038) 2.463 2.739 ( -1.278 -0.067 -0.968) 1.605 2.750 ( -0.157 0.538 1.658) 1.750 2.766 ( 1.334 1.209 1.464) 2.320 2.807 ( 2.241 1.420 -0.308) 2.670 2.831 ( 2.111 -0.481 2.785) 3.528 2.857 ( 3.338 -0.843 -0.839) 3.544 2.885 ( 3.494 -1.022 0.997) 3.774 2.903 ( 3.371 -1.109 -0.878) 3.656 2.912 ( 0.883 -0.946 0.261) 1.320 2.942 ( 0.997 -0.945 2.415) 2.779 2.960 ( 1.935 0.010 2.180) 2.915 3.017 ( -3.013 -1.513 3.282) 4.705 3.037 ( 4.864 1.342 2.056) 5.449 3.087 ( -2.553 -0.598 -0.110) 2.625 3.105 ( 0.519 -0.660 -1.895) 2.073 3.126 ( 1.794 -1.194 2.063) 2.983 3.163 ( -4.204 0.904 -1.865) 4.687 3.173 ( 0.287 0.965 1.933) 2.180 3.286 ( -3.616 0.557 -0.661) 3.717 3.322 ( -6.368 -1.105 -2.328) 6.869 3.380 ( -0.158 0.914 -4.593) 4.686 3.404 ( 0.865 0.513 -4.810) 4.914 3.478 ( 3.496 -0.330 1.524) 3.828 3.488 ( 2.671 -0.388 0.048) 2.699 3.523 ( -1.946 -0.019 -0.911) 2.148 3.527 ( -0.521 -0.488 -0.537) 0.893 3.607 ( 0.137 0.548 -1.009) 1.156 3.625 ( 1.746 -0.878 -2.891) 3.489 3.640 ( 0.319 -0.231 -3.741) 3.762 3.642 ( 1.428 0.050 -2.690) 3.047 3.655 ( 0.761 0.441 -2.622) 2.765 3.685 ( 0.866 0.247 -3.767) 3.873 3.696 ( 0.423 0.723 -3.082) 3.194 3.703 ( -0.149 0.174 -2.959) 2.967 3.938 ( 0.406 -0.829 1.574) 1.825 3.946 ( 1.601 -1.117 2.478) 3.154 3.968 ( 0.720 0.291 1.640) 1.814 3.980 ( -0.911 -0.305 0.780) 1.237 3.985 ( 0.822 0.454 2.372) 2.551 4.008 ( 0.610 0.377 3.388) 3.464 4.025 ( -0.541 0.727 0.990) 1.342 4.053 ( 0.413 0.125 1.223) 1.297 4.083 ( -0.531 0.197 0.173) 0.592 4.099 ( 0.638 -0.321 0.240) 0.754 4.147 ( -2.096 0.222 -0.769) 2.244 4.172 ( -1.024 -0.510 0.544) 1.267 4.198 ( -0.290 -0.387 0.527) 0.715 4.209 ( 0.547 -0.773 0.769) 1.219 4.246 ( 0.359 1.133 1.274) 1.743 4.290 ( -0.859 -0.416 -0.154) 0.967 4.337 ( -0.080 0.716 1.859) 1.993 4.372 ( 0.687 -0.471 2.479) 2.615 4.493 ( -0.973 0.461 -3.668) 3.823 4.522 ( -1.230 -0.578 -3.231) 3.505 4.552 ( 2.015 0.420 0.878) 2.237 4.579 ( 2.218 -0.594 1.149) 2.567 4.605 ( -1.608 0.602 -1.282) 2.143 4.623 ( -0.917 -0.096 -0.275) 0.962 4.733 ( -0.488 0.461 3.256) 3.324 4.762 ( -0.112 -0.600 3.077) 3.137 4.785 ( 1.420 0.436 -0.422) 1.544 4.808 ( 2.161 -0.487 -1.035) 2.445 4.851 ( -1.336 0.347 0.837) 1.614 4.860 ( -1.049 0.564 -0.538) 1.306 4.876 ( -1.762 -0.531 -0.078) 1.842 4.882 ( -1.926 -0.287 0.552) 2.024 5.131 ( -2.366 -0.072 -2.444) 3.402 5.140 ( -2.072 -0.158 -2.332) 3.123 5.158 ( -1.875 0.357 -1.480) 2.415 5.177 ( -0.483 -0.241 -2.025) 2.095 5.310 ( 8.539 0.135 3.705) 9.309 5.320 ( 7.178 -0.231 4.097) 8.268 5.422 ( -4.641 0.409 -1.302) 4.837 5.433 ( -2.230 -0.063 -0.753) 2.355 5.543 ( -0.068 0.559 0.711) 0.907 5.579 ( -0.230 -0.678 0.764) 1.047 5.592 ( -0.396 0.791 -1.042) 1.367 5.625 ( 0.164 -0.438 -0.888) 1.004 5.891 ( 0.211 -0.424 0.158) 0.499 5.893 ( -0.171 -0.429 0.139) 0.483 5.957 ( 0.979 0.530 0.345) 1.166 5.966 ( -1.015 0.151 -0.011) 1.026 6.512 ( -0.080 0.204 1.694) 1.708 6.528 ( -0.355 -0.366 2.221) 2.278 6.620 ( 0.387 0.564 -2.498) 2.590 6.649 ( 0.318 -0.515 -2.558) 2.629 6.714 ( 1.403 0.756 1.123) 1.950 6.756 ( 0.766 -0.829 0.708) 1.333 6.784 ( -1.998 0.808 -0.812) 2.303 6.822 ( -2.569 -0.534 -0.376) 2.651 6.861 ( 1.332 0.545 1.547) 2.113 6.902 ( 2.344 -0.851 1.338) 2.830 6.941 ( -1.053 0.884 -1.299) 1.891 6.976 ( -1.669 -0.497 -1.190) 2.109 6.995 ( -0.848 0.631 0.493) 1.167 7.023 ( 0.531 -0.039 -0.325) 0.624 7.034 ( -0.114 -0.450 0.386) 0.604 7.040 ( 1.646 -0.257 0.235) 1.682 7.153 ( 0.374 -0.095 0.215) 0.441 7.154 ( 0.183 -0.215 0.460) 0.540 7.173 ( 0.443 -0.192 0.399) 0.627 7.178 ( 0.420 -0.208 0.112) 0.482 7.241 ( -0.162 0.120 0.223) 0.301 7.248 ( -0.240 -0.161 0.192) 0.347 7.254 ( -0.383 -0.008 -0.472) 0.608 7.256 ( -0.241 -0.059 -0.402) 0.472 7.420 ( -0.144 0.048 0.324) 0.358 7.424 ( 0.060 -0.118 0.308) 0.335 7.436 ( 0.113 0.097 -0.221) 0.267 7.440 ( 0.089 -0.053 -0.279) 0.298 7.643 ( -0.115 0.076 0.460) 0.480 7.648 ( -0.019 -0.111 0.590) 0.601 7.665 ( 0.222 0.214 -0.335) 0.455 7.675 ( 0.136 -0.153 -0.431) 0.477 7.726 ( 0.039 0.028 0.105) 0.115 7.728 ( 0.090 -0.036 0.154) 0.182 7.737 ( -0.058 0.050 -0.278) 0.288 7.739 ( -0.079 -0.046 -0.257) 0.273 16.573 ( -0.046 0.472 0.273) 0.548 16.588 ( -0.204 0.732 -0.351) 0.837 16.608 ( -0.273 -0.778 0.433) 0.931 16.628 ( -0.323 -0.653 -0.410) 0.836 16.878 ( -0.250 0.379 0.332) 0.563 16.892 ( 0.142 0.205 -0.197) 0.318 16.899 ( -0.688 -0.180 0.336) 0.786 16.913 ( 2.786 -0.534 0.074) 2.838 17.066 ( 0.097 0.305 0.162) 0.359 17.072 ( 0.695 -0.000 0.130) 0.707 17.093 ( 0.847 -0.152 0.892) 1.239 17.101 ( -0.087 -0.477 0.645) 0.807 17.332 ( 0.394 0.043 0.274) 0.482 17.337 ( 0.685 -0.061 0.130) 0.700 17.373 ( 0.602 0.129 -0.426) 0.749 17.380 ( -1.097 -0.175 -0.549) 1.239 17.732 ( 0.384 0.906 0.215) 1.008 17.753 ( -0.384 1.835 -0.663) 1.989 17.794 ( 1.279 -0.794 1.680) 2.256 17.876 ( -1.247 -2.407 -1.335) 3.021 18.230 ( 0.005 0.116 2.121) 2.125 18.254 ( -0.609 -0.963 1.710) 2.055 18.261 ( -1.814 0.685 0.385) 1.976 18.294 ( -2.774 -0.694 -0.136) 2.863 18.321 ( -0.894 -0.284 3.170) 3.306 18.328 ( 1.229 -0.350 2.555) 2.857 18.459 ( 1.233 0.800 -1.675) 2.228 18.485 ( 1.864 -0.167 -0.621) 1.972 18.631 ( 0.171 0.163 -1.441) 1.461 18.646 ( -0.067 -0.033 -2.064) 2.065 18.658 ( -0.206 0.488 -1.877) 1.950 18.692 ( -1.954 -0.552 -3.019) 3.638 18.803 ( 3.222 0.773 0.242) 3.323 18.823 ( -1.412 0.746 -0.369) 1.639 18.854 ( 4.386 -0.880 0.627) 4.517 18.878 ( -2.463 -1.336 -0.287) 2.817 19.302 ( -3.290 0.070 0.962) 3.428 19.305 ( -3.785 -0.066 0.799) 3.869 19.325 ( 2.438 0.154 -0.096) 2.444 19.333 ( 2.070 -0.159 -0.241) 2.090 19.969 ( -1.703 0.295 0.100) 1.731 19.970 ( 2.715 0.609 0.158) 2.787 19.988 ( -2.116 -0.351 0.444) 2.190 19.998 ( 2.733 -0.411 0.302) 2.780 20.255 ( -2.246 0.711 2.065) 3.132 20.281 ( -2.038 0.170 1.202) 2.372 20.378 ( 1.326 0.499 -2.401) 2.788 20.398 ( 1.103 -0.255 -2.425) 2.676 ======================= Grid point 30 (15/30) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 3.757 8.490 8.689) 12.716 0.691 ( 9.009 5.165 5.575) 11.787 0.744 ( 5.948 4.708 1.114) 7.667 0.865 ( -8.448 1.255 -1.694) 8.707 0.949 ( 1.043 -1.917 1.029) 2.413 0.995 ( 2.711 -0.528 6.300) 6.879 1.001 ( -0.051 0.198 1.786) 1.798 1.033 ( 1.000 -1.473 -5.266) 5.559 1.091 ( 4.509 -0.134 4.664) 6.488 1.144 ( 1.714 1.585 -0.572) 2.404 1.191 ( 2.263 -3.759 -0.341) 4.401 1.200 ( 2.472 -1.949 -2.596) 4.080 1.276 ( -3.303 -3.485 -4.045) 6.278 1.280 ( -1.110 0.933 -3.631) 3.910 1.335 ( 0.019 0.563 1.201) 1.326 1.371 ( 1.728 -1.245 1.188) 2.439 1.388 ( 0.118 0.332 -2.809) 2.831 1.403 ( -0.656 1.132 2.096) 2.471 1.438 ( -0.599 -0.449 0.009) 0.749 1.452 ( 4.370 0.717 2.117) 4.908 1.474 ( -2.341 1.169 0.173) 2.622 1.518 ( -3.584 -0.355 1.681) 3.974 1.564 ( 0.563 -1.664 1.793) 2.510 1.565 ( -3.671 1.300 2.796) 4.794 1.598 ( -0.773 -1.997 -1.829) 2.817 1.623 ( -0.751 -0.685 1.231) 1.596 1.628 ( -4.456 -1.172 -1.747) 4.927 1.668 ( 4.180 -0.649 2.013) 4.684 1.689 ( 3.934 -0.832 4.251) 5.851 1.717 ( -3.357 1.521 1.123) 3.853 1.737 ( -0.521 0.520 0.587) 0.941 1.771 ( 1.460 1.849 3.366) 4.109 1.820 ( -0.774 1.325 -1.951) 2.482 1.861 ( 2.675 -0.967 0.819) 2.960 1.894 ( 2.362 0.374 -0.955) 2.575 1.921 ( -2.778 -0.743 -1.119) 3.085 1.965 ( 3.828 0.607 1.672) 4.221 1.977 ( -0.373 -0.398 -0.042) 0.547 2.015 ( -0.441 0.575 -1.083) 1.303 2.054 ( -0.752 1.536 -1.419) 2.222 2.077 ( 1.654 -1.131 0.677) 2.115 2.082 ( 1.876 -0.915 -0.063) 2.088 2.091 ( -1.507 0.329 3.683) 3.993 2.159 ( 0.521 -1.332 -0.870) 1.674 2.184 ( 0.232 1.202 -1.175) 1.697 2.203 ( -0.783 0.696 -1.189) 1.585 2.235 ( 1.429 0.796 1.614) 2.298 2.246 ( 3.744 0.632 1.851) 4.224 2.313 ( 0.544 0.782 2.856) 3.010 2.334 ( 1.144 -0.590 1.680) 2.117 2.358 ( 3.491 -0.594 1.882) 4.010 2.395 ( 0.035 0.298 -0.829) 0.881 2.396 ( 0.377 0.604 1.165) 1.365 2.417 ( -0.683 -0.177 0.224) 0.740 2.479 ( -1.478 0.250 1.451) 2.087 2.498 ( -1.843 -2.315 1.091) 3.153 2.534 ( -3.841 0.287 -2.349) 4.512 2.567 ( -1.889 -0.952 -2.140) 3.009 2.591 ( -0.787 -0.737 -1.307) 1.694 2.597 ( -1.109 -2.655 -0.628) 2.945 2.656 ( -6.228 0.222 -0.780) 6.280 2.707 ( -3.144 0.470 -0.200) 3.186 2.712 ( -2.425 1.364 0.092) 2.784 2.727 ( -0.020 0.138 0.555) 0.572 2.767 ( -2.436 -1.404 -0.076) 2.812 2.810 ( -2.859 -1.597 -0.277) 3.287 2.824 ( -2.273 0.859 -1.520) 2.866 2.850 ( -4.314 -0.150 -0.986) 4.428 2.859 ( -2.543 0.581 -1.068) 2.819 2.885 ( -2.873 0.020 1.232) 3.126 2.914 ( -1.774 -1.349 -0.048) 2.229 2.955 ( 0.568 -0.943 0.608) 1.258 2.984 ( 0.140 0.544 0.096) 0.570 2.997 ( 1.012 0.341 -2.086) 2.343 3.079 ( -0.440 -0.053 1.166) 1.247 3.104 ( 2.788 0.450 2.519) 3.784 3.124 ( 0.421 0.498 -1.645) 1.770 3.136 ( 0.653 -0.277 -0.316) 0.776 3.175 ( 2.270 0.392 -0.498) 2.356 3.238 ( 0.194 1.411 1.119) 1.811 3.240 ( 4.064 -1.518 1.513) 4.595 3.278 ( 0.998 -0.088 1.646) 1.927 3.346 ( 0.343 0.136 -0.416) 0.556 3.366 ( -1.440 0.134 -3.025) 3.353 3.431 ( -4.452 1.087 -1.615) 4.859 3.482 ( -2.675 -1.051 -2.449) 3.776 3.516 ( 0.542 0.392 1.421) 1.570 3.544 ( 0.453 -0.652 1.315) 1.536 3.609 ( 0.763 0.272 -3.423) 3.518 3.633 ( 0.762 -0.496 -3.189) 3.316 3.659 ( 2.151 0.404 -4.268) 4.796 3.671 ( 2.557 -0.013 -2.664) 3.693 3.682 ( 1.403 0.103 -1.167) 1.828 3.692 ( 1.350 0.565 -3.548) 3.838 3.704 ( 2.043 0.251 -3.081) 3.705 3.714 ( 2.342 -0.108 -3.284) 4.035 3.963 ( 1.176 0.126 0.223) 1.203 3.978 ( 0.328 0.258 1.347) 1.410 3.988 ( 0.848 -0.518 0.021) 0.994 3.997 ( 0.918 -0.260 0.862) 1.286 4.012 ( 0.523 -0.512 2.499) 2.604 4.029 ( 0.697 0.321 1.957) 2.102 4.035 ( 0.450 0.559 2.439) 2.543 4.065 ( 0.159 -0.476 -0.313) 0.591 4.086 ( 0.427 0.560 0.206) 0.734 4.109 ( -1.063 0.391 -1.113) 1.588 4.125 ( -1.167 -1.213 -0.217) 1.697 4.136 ( 0.549 -0.711 2.040) 2.229 4.215 ( 0.909 0.163 0.902) 1.291 4.219 ( 0.841 -0.169 0.326) 0.918 4.259 ( -0.679 0.429 0.381) 0.889 4.280 ( 0.477 -0.437 1.055) 1.238 4.334 ( -1.525 0.974 2.738) 3.282 4.376 ( -1.533 -0.561 2.905) 3.332 4.453 ( -1.007 0.278 -2.789) 2.979 4.466 ( -1.975 -0.153 -2.478) 3.172 4.541 ( -1.362 0.269 -1.628) 2.139 4.570 ( -2.142 -0.685 -1.660) 2.795 4.621 ( 1.554 0.896 0.596) 1.890 4.656 ( 2.311 -0.485 0.832) 2.503 4.724 ( -1.556 0.602 1.468) 2.222 4.756 ( -0.885 -0.492 0.123) 1.020 4.804 ( 0.822 0.624 0.256) 1.063 4.823 ( 0.509 -0.202 0.239) 0.597 4.862 ( 1.143 -0.002 0.104) 1.148 4.865 ( 1.208 0.236 0.712) 1.422 4.877 ( 2.560 -0.182 1.974) 3.238 4.897 ( 1.661 -0.515 2.265) 2.856 5.093 ( -0.732 -0.066 -0.424) 0.849 5.110 ( -1.366 -0.810 -0.647) 1.715 5.132 ( -1.530 0.552 -0.033) 1.627 5.144 ( -1.231 0.283 -0.354) 1.312 5.292 ( -4.558 0.521 -2.870) 5.411 5.329 ( -4.402 -0.785 -3.166) 5.479 5.445 ( 2.730 0.566 1.417) 3.128 5.471 ( 4.011 -0.362 1.437) 4.276 5.554 ( 0.316 0.431 1.038) 1.167 5.578 ( -0.180 -0.371 0.834) 0.930 5.584 ( 0.688 0.700 -0.597) 1.148 5.617 ( -0.618 -0.519 -1.095) 1.361 5.885 ( 0.102 0.237 0.081) 0.271 5.911 ( 0.448 -0.878 0.005) 0.986 5.959 ( 0.862 1.157 0.043) 1.443 5.996 ( 1.921 -0.458 0.305) 1.998 6.518 ( -0.279 0.242 1.738) 1.777 6.535 ( -0.155 -0.355 2.294) 2.327 6.609 ( -0.023 0.672 -2.681) 2.764 6.637 ( -0.227 -0.301 -2.302) 2.332 6.725 ( -1.008 0.453 -0.807) 1.368 6.754 ( 0.103 -0.268 0.361) 0.461 6.772 ( -0.083 0.350 0.624) 0.721 6.812 ( 1.378 -0.860 1.949) 2.537 6.900 ( -0.726 0.262 -0.758) 1.082 6.904 ( 0.678 0.310 0.429) 0.860 6.936 ( -0.585 0.180 -0.974) 1.151 6.952 ( 0.661 -0.033 1.109) 1.291 6.983 ( -0.134 0.057 0.754) 0.768 7.009 ( -1.506 -0.772 -0.259) 1.712 7.046 ( 0.751 0.429 -0.649) 1.081 7.067 ( 0.827 -0.360 -0.230) 0.931 7.151 ( -0.437 0.023 0.073) 0.444 7.156 ( -0.166 -0.273 0.142) 0.350 7.171 ( -0.488 0.126 -0.330) 0.603 7.183 ( -0.026 -0.264 -0.342) 0.433 7.243 ( 0.266 0.017 0.316) 0.414 7.246 ( 0.037 -0.141 0.156) 0.213 7.251 ( 0.132 0.055 0.111) 0.181 7.254 ( 0.152 -0.122 0.196) 0.277 7.417 ( -0.184 0.081 0.289) 0.352 7.426 ( -0.033 -0.260 0.144) 0.299 7.437 ( 0.093 0.091 -0.208) 0.245 7.440 ( 0.053 0.002 -0.301) 0.306 7.643 ( -0.088 0.129 0.404) 0.433 7.650 ( -0.034 -0.149 0.522) 0.544 7.668 ( 0.172 0.155 -0.423) 0.482 7.675 ( 0.085 -0.111 -0.517) 0.536 7.728 ( 0.021 0.038 0.127) 0.134 7.730 ( -0.004 -0.048 0.189) 0.195 7.732 ( -0.150 0.036 -0.248) 0.292 7.734 ( -0.192 -0.026 -0.270) 0.332 16.576 ( 0.193 0.804 0.253) 0.865 16.586 ( 0.113 0.671 -0.098) 0.688 16.624 ( 0.930 -0.919 0.179) 1.320 16.627 ( 0.393 -0.802 0.009) 0.893 16.871 ( -0.512 0.253 0.546) 0.790 16.886 ( -0.264 -0.379 0.184) 0.497 16.913 ( 1.367 0.906 -0.465) 1.704 16.965 ( 1.732 -0.976 -1.491) 2.485 17.070 ( 0.143 0.098 -0.303) 0.349 17.080 ( 0.235 -0.068 -0.422) 0.488 17.102 ( 0.017 -0.640 -0.138) 0.655 17.119 ( 1.266 -0.600 0.347) 1.443 17.319 ( -1.736 0.160 -0.341) 1.776 17.327 ( -1.096 -0.082 -0.510) 1.212 17.335 ( -1.739 0.785 -0.035) 1.908 17.382 ( -0.265 -1.113 -0.146) 1.154 17.770 ( 3.104 0.996 0.035) 3.260 17.779 ( 2.318 0.815 -0.252) 2.470 17.841 ( 0.464 -1.092 0.194) 1.202 17.848 ( 0.559 -1.119 -0.115) 1.257 18.192 ( -2.991 0.312 0.591) 3.065 18.214 ( -2.629 -0.663 0.898) 2.856 18.243 ( -1.018 0.363 2.097) 2.359 18.248 ( -1.327 0.054 3.386) 3.637 18.360 ( 1.949 0.159 1.640) 2.553 18.381 ( 1.874 -0.667 1.575) 2.538 18.456 ( -0.568 0.824 -1.789) 2.050 18.491 ( -1.072 -0.479 -1.029) 1.561 18.628 ( 0.130 -0.036 -0.694) 0.707 18.637 ( -0.062 -0.444 -1.747) 1.804 18.663 ( 1.757 0.490 -2.308) 2.942 18.678 ( 1.433 0.023 -1.548) 2.109 18.783 ( -0.774 0.084 -0.346) 0.852 18.809 ( -2.621 -0.856 -1.187) 3.002 18.885 ( 3.107 1.380 -0.846) 3.503 18.955 ( 3.935 -1.216 -0.449) 4.143 19.223 ( -3.629 0.125 1.196) 3.823 19.228 ( -3.186 -0.049 1.907) 3.713 19.380 ( 1.848 0.087 0.329) 1.879 19.386 ( 2.097 -0.140 0.376) 2.135 19.944 ( -0.075 0.292 -0.669) 0.734 19.961 ( -0.326 -0.399 -0.593) 0.786 20.033 ( 2.213 0.718 0.196) 2.335 20.060 ( 2.116 -0.401 0.150) 2.159 20.211 ( -2.352 0.627 2.430) 3.439 20.241 ( -2.080 -0.417 2.260) 3.099 20.387 ( 0.625 0.421 -1.955) 2.095 20.401 ( 0.237 -0.137 -2.040) 2.058 ======================= Grid point 31 (16/30) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -10.012 3.928 -0.160) 10.756 0.758 ( -10.010 4.571 -0.248) 11.007 0.767 ( 3.471 -1.483 -3.038) 4.846 0.874 ( 2.655 2.449 5.419) 6.513 0.937 ( 0.616 -0.603 1.794) 1.990 1.031 ( 9.105 3.049 5.773) 11.204 1.052 ( 1.202 0.622 0.347) 1.397 1.098 ( 1.063 0.445 -1.551) 1.932 1.125 ( -0.612 0.151 -9.153) 9.175 1.130 ( -4.389 0.111 -1.817) 4.751 1.184 ( -0.180 0.067 -1.410) 1.422 1.213 ( -2.139 -4.603 -0.223) 5.080 1.230 ( -0.108 -1.914 -1.658) 2.535 1.242 ( -3.747 0.623 2.771) 4.701 1.297 ( -0.511 -2.466 2.682) 3.679 1.334 ( -4.011 -0.311 -3.027) 5.034 1.379 ( 1.160 0.682 -0.162) 1.355 1.418 ( -1.620 -0.499 1.957) 2.589 1.428 ( 1.155 -1.009 2.717) 3.119 1.447 ( -1.719 2.550 -0.265) 3.087 1.480 ( -1.508 0.365 -1.853) 2.416 1.515 ( -2.318 -0.496 -1.808) 2.981 1.545 ( -1.504 0.317 2.315) 2.779 1.555 ( 0.431 -0.586 1.077) 1.300 1.594 ( 1.213 2.168 0.510) 2.536 1.615 ( 0.785 0.712 1.477) 1.818 1.623 ( 0.711 1.179 1.491) 2.029 1.657 ( -0.583 -1.681 1.960) 2.647 1.676 ( 2.539 -0.558 4.103) 4.857 1.772 ( 0.931 -0.563 0.955) 1.448 1.790 ( 1.693 1.089 3.170) 3.755 1.805 ( -0.727 -1.004 -1.897) 2.266 1.833 ( -1.098 0.516 1.508) 1.936 1.887 ( 0.248 -0.591 0.519) 0.825 1.912 ( 0.412 -0.166 -1.510) 1.574 1.916 ( 2.706 0.308 1.461) 3.091 1.951 ( 0.866 0.145 2.061) 2.240 1.998 ( -1.830 -2.154 3.173) 4.250 2.040 ( 1.640 0.688 1.930) 2.625 2.078 ( 0.271 0.752 -0.420) 0.903 2.088 ( 0.651 -0.044 1.913) 2.021 2.102 ( 1.774 3.416 2.492) 4.585 2.112 ( 3.676 0.090 1.349) 3.916 2.166 ( -1.707 0.375 -1.790) 2.502 2.212 ( 0.129 -0.012 -0.045) 0.137 2.231 ( 2.729 -2.612 2.911) 4.769 2.273 ( -0.655 -1.308 0.240) 1.482 2.292 ( -2.834 -0.210 -0.012) 2.841 2.317 ( 4.321 -0.495 1.784) 4.701 2.342 ( -5.490 0.927 -3.707) 6.689 2.360 ( 1.111 1.105 0.213) 1.581 2.368 ( -3.411 0.973 1.558) 3.874 2.397 ( -3.403 -1.158 -1.242) 3.803 2.426 ( -1.231 0.230 2.328) 2.644 2.442 ( -0.383 0.034 1.891) 1.929 2.471 ( 1.261 -1.017 1.949) 2.534 2.543 ( -0.794 -0.133 0.289) 0.855 2.565 ( 3.162 0.942 0.357) 3.319 2.578 ( 5.601 -1.029 0.538) 5.720 2.591 ( 1.107 -3.386 -0.458) 3.592 2.619 ( 1.698 -1.562 1.578) 2.795 2.669 ( 0.903 -0.132 -0.089) 0.917 2.680 ( -2.389 -2.008 -2.823) 4.208 2.695 ( 1.740 1.924 0.731) 2.695 2.738 ( -0.847 -1.400 -0.279) 1.660 2.752 ( -2.560 0.512 -2.138) 3.375 2.770 ( 0.422 -0.784 -0.420) 0.984 2.781 ( -0.054 1.037 -3.140) 3.307 2.790 ( -2.525 0.118 -1.075) 2.746 2.839 ( -1.899 -0.305 -0.999) 2.168 2.934 ( 2.180 1.121 -2.526) 3.520 2.969 ( -0.377 0.502 -3.346) 3.404 2.993 ( 1.855 1.662 -0.182) 2.497 3.017 ( 0.316 0.098 2.971) 2.990 3.035 ( -5.944 1.499 -0.117) 6.131 3.084 ( -1.196 -0.014 1.559) 1.965 3.124 ( -0.545 -0.738 -0.531) 1.060 3.136 ( -0.779 -0.463 -1.386) 1.656 3.202 ( 1.059 1.629 -2.204) 2.938 3.238 ( 0.796 0.207 1.460) 1.675 3.280 ( -0.867 -0.676 0.326) 1.147 3.301 ( -1.270 -0.604 -0.225) 1.425 3.343 ( 0.210 1.075 -0.450) 1.184 3.378 ( 1.258 1.165 -1.927) 2.579 3.411 ( 2.149 -0.767 0.943) 2.469 3.470 ( 3.980 -1.298 1.948) 4.618 3.529 ( -0.379 0.509 1.591) 1.713 3.550 ( -0.590 -0.445 1.074) 1.304 3.592 ( -0.201 0.593 -3.853) 3.904 3.633 ( 0.183 -0.840 -3.747) 3.844 3.666 ( 0.461 0.801 -2.253) 2.435 3.683 ( 0.481 -0.180 -4.465) 4.494 3.691 ( 1.053 0.039 -2.820) 3.010 3.700 ( 0.902 0.280 -3.890) 4.003 3.720 ( 0.331 -0.182 -2.776) 2.801 3.736 ( 1.159 -0.230 -2.579) 2.837 3.978 ( -0.541 0.414 1.584) 1.725 3.988 ( 0.063 0.556 1.307) 1.422 3.996 ( 0.266 0.112 1.549) 1.576 4.017 ( -0.599 -0.078 1.363) 1.491 4.027 ( 1.258 -0.364 0.765) 1.517 4.042 ( -0.234 -0.059 2.392) 2.404 4.056 ( -2.156 -0.155 0.789) 2.301 4.073 ( 0.452 -1.856 -0.233) 1.925 4.086 ( 0.418 0.404 0.536) 0.790 4.105 ( -0.999 -0.290 0.453) 1.135 4.113 ( 0.287 -0.117 -0.491) 0.581 4.119 ( -0.840 -0.106 0.259) 0.886 4.225 ( -0.099 -0.000 0.884) 0.889 4.239 ( -0.480 -0.499 0.206) 0.723 4.260 ( -0.256 0.617 1.299) 1.461 4.275 ( 0.451 0.290 0.398) 0.667 4.337 ( -0.728 0.308 2.948) 3.052 4.355 ( -0.911 -0.330 3.003) 3.155 4.437 ( 0.807 0.181 -1.838) 2.016 4.443 ( 1.278 -0.095 -1.556) 2.016 4.533 ( 0.830 0.241 -1.178) 1.461 4.558 ( 1.802 -0.613 -1.111) 2.204 4.582 ( -2.787 0.888 -3.473) 4.541 4.614 ( -4.052 -0.378 -4.626) 6.161 4.706 ( -0.560 0.503 1.471) 1.653 4.743 ( -0.426 -0.872 0.257) 1.004 4.797 ( -1.297 0.153 -1.857) 2.270 4.807 ( -1.861 -0.298 -2.378) 3.034 4.888 ( 0.294 0.816 1.915) 2.102 4.890 ( 0.398 0.654 1.828) 1.982 4.926 ( -0.144 -0.605 1.942) 2.039 4.933 ( 0.128 -0.585 2.372) 2.447 5.102 ( 1.203 -0.024 1.054) 1.600 5.115 ( 2.335 -0.594 1.985) 3.122 5.141 ( 1.901 0.373 1.853) 2.681 5.149 ( 0.806 -0.113 1.512) 1.717 5.277 ( 3.544 0.534 0.652) 3.642 5.314 ( 4.235 -0.803 0.761) 4.377 5.420 ( -4.078 0.923 -3.541) 5.480 5.465 ( -4.045 -0.701 -3.211) 5.212 5.559 ( -0.258 0.344 0.984) 1.074 5.578 ( -0.267 -0.320 0.917) 1.008 5.599 ( -0.299 0.287 -0.613) 0.740 5.612 ( 1.354 -0.191 -0.290) 1.398 5.896 ( 0.588 0.497 0.823) 1.127 5.923 ( 0.675 -0.571 0.824) 1.209 5.959 ( -1.033 0.904 -1.178) 1.809 5.997 ( -1.529 -0.560 -1.606) 2.287 6.517 ( -0.616 0.403 1.579) 1.742 6.538 ( -0.677 -0.382 2.105) 2.243 6.608 ( 1.067 0.693 -2.177) 2.521 6.634 ( 0.994 -0.151 -1.505) 1.810 6.733 ( 1.449 0.109 0.520) 1.544 6.753 ( 0.501 -0.557 0.758) 1.066 6.773 ( -0.888 0.553 -0.169) 1.060 6.800 ( -2.316 -0.472 -0.447) 2.405 6.903 ( 1.067 0.185 0.457) 1.175 6.914 ( -0.377 0.107 0.305) 0.496 6.938 ( 0.659 0.005 0.182) 0.684 6.958 ( -0.204 0.129 0.618) 0.663 6.977 ( -0.582 0.074 0.279) 0.650 7.008 ( 1.183 -0.775 1.208) 1.860 7.046 ( -0.268 0.446 -1.286) 1.388 7.067 ( -0.487 -0.387 -0.973) 1.155 7.143 ( -0.266 0.077 -0.180) 0.331 7.149 ( -0.365 -0.052 -0.634) 0.733 7.161 ( -0.265 0.196 0.073) 0.338 7.176 ( -0.265 -0.274 -0.658) 0.760 7.248 ( -0.098 0.007 0.366) 0.379 7.250 ( 0.162 -0.080 0.488) 0.520 7.258 ( 0.325 0.063 0.335) 0.471 7.261 ( 0.255 -0.079 0.399) 0.480 7.416 ( -0.047 0.087 0.330) 0.344 7.426 ( -0.021 -0.290 0.112) 0.311 7.437 ( -0.003 0.090 -0.271) 0.286 7.439 ( 0.049 0.011 -0.321) 0.325 7.643 ( -0.095 0.124 0.378) 0.409 7.650 ( -0.218 -0.137 0.406) 0.481 7.667 ( -0.014 0.147 -0.554) 0.574 7.674 ( 0.101 -0.120 -0.538) 0.561 7.728 ( -0.068 0.024 0.032) 0.079 7.729 ( -0.140 -0.031 0.074) 0.162 7.731 ( 0.153 0.040 -0.113) 0.195 7.733 ( 0.186 -0.023 -0.106) 0.215 16.581 ( 0.059 0.928 0.324) 0.985 16.588 ( 0.082 0.756 0.038) 0.761 16.635 ( 0.193 -0.926 0.331) 1.002 16.638 ( 0.213 -1.149 0.281) 1.202 16.870 ( 0.051 0.237 1.011) 1.040 16.889 ( 0.281 -0.572 0.826) 1.043 16.928 ( 0.057 1.028 -0.845) 1.332 16.975 ( 0.383 -0.523 -1.355) 1.502 17.067 ( -0.040 -0.148 -0.661) 0.679 17.081 ( -0.040 0.397 -0.628) 0.744 17.096 ( -0.422 -1.191 -0.886) 1.543 17.120 ( -1.174 -0.703 -1.232) 1.841 17.300 ( 0.390 0.393 -0.008) 0.554 17.306 ( -0.148 0.525 -0.387) 0.669 17.332 ( 0.860 0.024 0.775) 1.158 17.366 ( -0.658 -1.078 -0.975) 1.595 17.803 ( 0.024 0.031 -0.384) 0.386 17.807 ( -1.738 -0.285 -0.697) 1.895 17.840 ( 2.564 0.171 0.217) 2.579 17.849 ( -1.895 0.104 -0.280) 1.919 18.193 ( 1.798 -0.089 3.403) 3.849 18.205 ( 1.297 -0.637 2.541) 2.923 18.243 ( 0.327 0.659 2.754) 2.851 18.261 ( 0.331 -0.232 4.009) 4.029 18.357 ( -2.051 -0.085 -0.852) 2.222 18.365 ( -3.156 -0.294 -2.167) 3.839 18.435 ( 0.036 0.313 -2.353) 2.374 18.454 ( -1.148 -0.380 -2.287) 2.587 18.639 ( 0.547 0.318 0.268) 0.687 18.657 ( 1.806 -0.370 1.066) 2.129 18.690 ( 1.653 0.389 -1.822) 2.491 18.715 ( 2.325 -0.453 -0.746) 2.483 18.780 ( 0.471 0.060 -0.103) 0.486 18.806 ( 2.568 -0.796 1.454) 3.057 18.866 ( -3.405 1.464 -4.153) 5.567 18.935 ( -4.299 -1.145 -4.376) 6.240 19.233 ( 2.812 0.353 4.808) 5.581 19.251 ( 3.154 -0.299 5.108) 6.011 19.375 ( -1.889 0.177 -1.722) 2.562 19.387 ( -1.741 -0.263 -1.453) 2.283 19.970 ( 1.530 -0.002 0.831) 1.741 19.976 ( 2.370 -0.298 0.756) 2.505 20.024 ( -2.615 0.392 -1.519) 3.049 20.037 ( -2.921 -0.146 -2.325) 3.736 20.223 ( 1.374 0.365 3.884) 4.137 20.245 ( 0.912 -0.414 3.211) 3.364 20.384 ( 0.047 0.286 -2.354) 2.372 20.390 ( -0.065 0.029 -2.289) 2.290 ======================= Grid point 32 (17/30) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -7.330 8.433 5.743) 12.562 0.547 ( -10.350 8.913 6.449) 15.104 0.706 ( -5.634 -2.050 8.182) 10.143 0.830 ( -13.783 5.906 5.936) 16.127 0.929 ( -3.246 -2.158 1.179) 4.072 0.973 ( -9.717 -1.554 -5.911) 11.479 1.008 ( 0.203 3.735 1.654) 4.089 1.023 ( -1.525 0.982 0.852) 2.004 1.114 ( 1.115 1.243 -4.695) 4.984 1.135 ( 0.736 -1.378 -2.149) 2.657 1.192 ( 4.149 0.476 0.668) 4.229 1.197 ( 0.382 0.935 -3.607) 3.746 1.249 ( 1.740 -0.420 3.697) 4.107 1.253 ( 0.881 1.208 -1.554) 2.157 1.280 ( 2.559 -1.831 -0.582) 3.200 1.363 ( -3.092 0.967 0.812) 3.340 1.386 ( 0.695 0.681 0.984) 1.384 1.407 ( -1.694 -1.186 1.411) 2.504 1.424 ( 3.912 -2.640 -1.257) 4.884 1.448 ( -0.890 -0.985 -0.462) 1.405 1.453 ( -0.540 -2.629 0.641) 2.760 1.474 ( -1.358 -1.551 0.935) 2.264 1.486 ( 2.605 -0.078 -0.497) 2.653 1.543 ( -2.144 -1.385 0.175) 2.558 1.630 ( 0.420 1.440 1.664) 2.240 1.634 ( 0.815 1.361 0.995) 1.873 1.666 ( 2.059 -1.350 2.087) 3.228 1.709 ( -3.155 -0.882 0.393) 3.299 1.732 ( -2.296 -0.742 3.986) 4.659 1.773 ( 2.913 0.186 1.227) 3.166 1.812 ( -3.534 -2.371 3.104) 5.267 1.819 ( 3.109 0.490 -0.210) 3.154 1.851 ( 5.032 -0.901 2.269) 5.593 1.880 ( -1.114 -0.873 -0.305) 1.448 1.909 ( 0.818 0.175 -1.881) 2.058 1.938 ( 2.324 -0.611 -1.971) 3.107 1.964 ( -1.453 0.468 1.309) 2.011 2.021 ( 0.803 0.810 1.370) 1.783 2.038 ( -2.950 2.080 -0.245) 3.617 2.096 ( -1.342 0.642 0.579) 1.597 2.103 ( -1.724 1.603 0.743) 2.469 2.131 ( 1.176 -1.490 0.814) 2.065 2.148 ( -2.119 1.938 -0.193) 2.878 2.177 ( 1.507 1.321 0.854) 2.178 2.199 ( -0.548 2.331 -0.425) 2.431 2.207 ( -2.191 -1.189 -1.785) 3.066 2.234 ( -2.210 -1.444 -0.959) 2.809 2.237 ( -1.106 0.002 -1.050) 1.525 2.258 ( 0.494 0.502 0.929) 1.166 2.299 ( -2.467 -0.885 1.061) 2.828 2.316 ( -2.337 -1.265 2.490) 3.641 2.399 ( 0.008 0.046 4.584) 4.585 2.416 ( 0.498 -1.244 -1.768) 2.218 2.453 ( 3.952 0.127 2.202) 4.525 2.485 ( 4.237 -0.334 0.410) 4.270 2.515 ( 0.309 -1.467 2.708) 3.095 2.546 ( 2.032 0.002 -0.744) 2.164 2.574 ( -0.433 -0.088 -1.578) 1.639 2.623 ( 0.166 -1.233 -2.029) 2.380 2.647 ( 2.121 0.502 -1.358) 2.568 2.667 ( 1.033 0.137 -0.527) 1.168 2.689 ( 3.989 -0.744 3.893) 5.623 2.698 ( 1.648 -1.105 0.425) 2.029 2.721 ( -0.419 0.387 -0.950) 1.108 2.735 ( 1.711 2.047 3.117) 4.103 2.752 ( 1.830 -0.014 -3.470) 3.923 2.794 ( 0.368 0.948 -0.980) 1.413 2.796 ( 2.054 0.126 -1.329) 2.450 2.813 ( 4.363 0.559 -2.750) 5.187 2.854 ( 3.525 -0.909 0.025) 3.641 2.883 ( -1.832 0.901 -1.391) 2.471 2.912 ( -2.637 -0.491 -3.777) 4.632 2.959 ( 0.605 1.756 -1.371) 2.309 2.998 ( -2.628 0.847 2.961) 4.049 3.029 ( -0.513 -0.352 4.295) 4.340 3.053 ( 0.171 -2.367 0.849) 2.521 3.130 ( 1.264 0.889 0.092) 1.548 3.167 ( -0.382 -0.237 0.144) 0.472 3.187 ( -4.526 0.297 -1.500) 4.777 3.206 ( -0.587 0.011 1.197) 1.333 3.295 ( 2.277 0.326 2.488) 3.388 3.332 ( 4.003 -1.073 2.365) 4.771 3.377 ( 3.668 1.105 -1.897) 4.275 3.393 ( 1.932 0.652 -4.275) 4.737 3.479 ( -1.191 -0.092 -2.301) 2.593 3.493 ( -3.088 -0.391 -1.498) 3.454 3.499 ( 0.496 0.289 -0.985) 1.140 3.538 ( 1.024 -0.798 0.757) 1.503 3.601 ( 1.162 0.068 -0.180) 1.178 3.620 ( 0.346 -0.782 -2.519) 2.660 3.650 ( -0.616 -0.164 -2.838) 2.908 3.662 ( -0.285 -0.505 -3.621) 3.667 3.687 ( 0.067 0.538 -3.344) 3.388 3.697 ( -0.898 0.585 -3.378) 3.544 3.701 ( 0.178 0.183 -3.246) 3.256 3.734 ( -0.199 -0.316 -3.071) 3.094 3.940 ( -2.496 0.090 2.702) 3.679 3.954 ( -2.811 -0.928 0.716) 3.045 3.977 ( -3.582 -0.149 0.584) 3.632 3.985 ( -1.163 0.231 0.700) 1.377 4.007 ( -1.477 -0.064 1.141) 1.867 4.016 ( -3.166 -0.251 0.933) 3.310 4.040 ( -0.274 0.495 1.001) 1.150 4.065 ( -1.575 -0.151 1.013) 1.879 4.085 ( -0.212 0.281 0.526) 0.633 4.100 ( 0.353 -0.140 0.614) 0.722 4.144 ( 2.317 -0.107 1.350) 2.684 4.161 ( 1.728 -0.483 0.784) 1.958 4.207 ( -1.095 0.096 0.801) 1.360 4.219 ( -1.881 -0.472 -0.048) 1.940 4.251 ( -1.017 0.831 0.648) 1.465 4.288 ( 0.914 -0.796 0.720) 1.410 4.345 ( -1.375 0.219 1.059) 1.749 4.347 ( 0.572 0.385 1.298) 1.470 4.488 ( 3.640 0.237 -0.274) 3.658 4.501 ( 3.678 -0.197 -1.195) 3.872 4.535 ( 0.103 0.016 -0.828) 0.835 4.548 ( 0.258 -0.481 -1.152) 1.275 4.579 ( 3.333 0.678 -0.344) 3.419 4.602 ( 2.222 -0.154 -1.920) 2.941 4.718 ( 0.336 0.135 2.912) 2.934 4.745 ( 0.035 -1.305 2.839) 3.125 4.772 ( -0.064 0.047 -1.487) 1.489 4.778 ( 0.736 -0.151 -1.882) 2.026 4.882 ( -1.586 0.771 1.790) 2.513 4.890 ( -1.211 0.703 0.602) 1.524 4.915 ( -1.652 -0.438 1.913) 2.565 4.926 ( -1.925 -0.698 0.911) 2.241 5.149 ( 1.659 -0.020 0.108) 1.663 5.160 ( 2.197 0.313 1.119) 2.486 5.164 ( 2.927 -0.427 1.608) 3.366 5.177 ( 0.798 -0.391 -1.202) 1.495 5.280 ( -6.637 0.546 -5.481) 8.625 5.307 ( -7.489 -0.499 -5.209) 9.136 5.391 ( 4.731 0.903 2.559) 5.454 5.433 ( 3.557 -0.656 2.429) 4.356 5.555 ( -0.825 0.317 0.958) 1.303 5.577 ( -0.075 -0.452 0.644) 0.791 5.598 ( 0.128 0.686 -0.575) 0.904 5.625 ( 0.353 -0.349 -0.807) 0.948 5.898 ( -1.049 -0.080 0.078) 1.055 5.910 ( -1.117 -0.134 0.090) 1.129 5.955 ( -0.641 0.257 -0.589) 0.907 5.967 ( 0.695 -0.025 0.845) 1.094 6.511 ( -0.590 0.356 1.468) 1.622 6.531 ( -0.895 -0.393 1.973) 2.202 6.618 ( 0.899 0.622 -2.297) 2.544 6.648 ( 0.957 -0.452 -2.099) 2.350 6.718 ( -1.891 0.500 -0.512) 2.022 6.749 ( -0.657 -0.801 -0.144) 1.046 6.784 ( 1.864 0.904 1.035) 2.315 6.818 ( 2.515 -0.411 2.013) 3.248 6.871 ( -2.246 0.364 0.002) 2.276 6.905 ( -2.508 -0.871 -1.069) 2.862 6.945 ( 1.026 0.811 0.110) 1.313 6.978 ( 1.349 -0.421 0.799) 1.623 6.994 ( 0.894 0.575 1.216) 1.615 7.022 ( -0.200 -0.100 -0.771) 0.803 7.034 ( -0.132 -0.336 0.293) 0.466 7.041 ( -1.408 -0.285 -1.462) 2.049 7.142 ( 0.288 0.076 0.225) 0.373 7.146 ( 0.316 0.143 -0.208) 0.404 7.162 ( 0.222 0.077 0.395) 0.459 7.172 ( 0.139 -0.260 -0.196) 0.354 7.245 ( -0.349 0.115 0.363) 0.516 7.252 ( -0.215 -0.126 0.413) 0.483 7.262 ( -0.044 0.017 -0.136) 0.144 7.263 ( -0.177 -0.055 -0.144) 0.234 7.418 ( 0.044 0.055 0.377) 0.384 7.425 ( -0.141 -0.251 0.100) 0.305 7.435 ( 0.033 0.100 -0.279) 0.299 7.439 ( 0.097 -0.042 -0.289) 0.308 7.643 ( -0.109 0.067 0.444) 0.462 7.647 ( -0.211 -0.096 0.474) 0.528 7.664 ( 0.051 0.206 -0.465) 0.511 7.674 ( 0.147 -0.159 -0.458) 0.506 7.726 ( -0.059 0.009 0.009) 0.060 7.727 ( -0.052 -0.015 0.037) 0.066 7.736 ( 0.244 0.049 -0.143) 0.287 7.738 ( 0.266 -0.037 -0.119) 0.294 16.578 ( -0.437 0.596 0.212) 0.769 16.590 ( 0.065 0.865 -0.065) 0.870 16.630 ( -0.828 -1.350 0.001) 1.584 16.639 ( -0.357 -1.036 0.129) 1.104 16.877 ( 0.081 0.309 0.671) 0.743 16.896 ( -0.151 -0.386 0.324) 0.526 16.910 ( -1.103 0.323 0.047) 1.150 16.945 ( -3.192 -1.369 -3.035) 4.613 17.061 ( -0.086 0.395 -0.475) 0.624 17.071 ( -0.085 0.385 0.027) 0.395 17.086 ( -1.009 -0.335 -0.482) 1.168 17.096 ( 0.308 -0.576 0.620) 0.900 17.308 ( 1.043 0.421 -0.285) 1.160 17.322 ( 0.912 -0.018 -0.311) 0.964 17.362 ( 0.730 -0.067 -0.726) 1.032 17.369 ( 1.873 -0.269 0.508) 1.960 17.757 ( -2.557 0.298 -0.073) 2.576 17.787 ( -1.163 -0.596 0.108) 1.311 17.792 ( -2.442 1.883 -0.117) 3.086 17.884 ( 1.019 -1.682 0.231) 1.980 18.227 ( -0.602 0.021 1.670) 1.775 18.244 ( 0.890 -0.553 2.341) 2.565 18.269 ( -0.491 0.185 0.070) 0.530 18.298 ( 1.561 -0.700 2.123) 2.727 18.312 ( 0.025 0.083 1.885) 1.887 18.331 ( -0.639 -1.084 2.643) 2.927 18.434 ( 1.090 0.445 -2.267) 2.554 18.450 ( 1.941 -0.105 -2.104) 2.865 18.638 ( -0.279 0.434 -0.798) 0.950 18.665 ( -0.796 -0.534 -0.634) 1.149 18.693 ( -1.187 1.036 -2.255) 2.751 18.750 ( 0.278 -1.055 -1.742) 2.055 18.772 ( -0.878 0.757 -2.388) 2.655 18.814 ( -0.915 -0.457 -1.961) 2.212 18.827 ( -0.452 0.573 -0.056) 0.732 18.879 ( 2.091 -1.276 2.430) 3.451 19.311 ( 1.529 0.310 3.794) 4.103 19.320 ( -1.546 0.219 -2.331) 2.805 19.326 ( 0.882 -0.277 3.401) 3.525 19.334 ( -1.495 -0.282 -1.893) 2.429 19.959 ( -1.618 0.494 -1.661) 2.371 19.981 ( -1.073 -0.367 -1.666) 2.015 19.990 ( -0.310 0.266 1.433) 1.490 20.020 ( -0.084 -1.328 1.295) 1.857 20.262 ( 0.344 0.563 3.064) 3.135 20.282 ( 1.016 0.102 2.356) 2.568 20.371 ( 0.343 0.558 -2.926) 2.998 20.388 ( 0.976 -0.166 -2.707) 2.882 ======================= Grid point 33 (18/30) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 3.478 -6.502 15.113) 16.816 0.658 ( 3.478 6.502 15.113) 16.816 0.731 ( 5.161 -6.991 9.631) 12.972 0.731 ( 5.161 6.991 9.631) 12.972 0.926 ( -0.892 -1.274 -0.710) 1.709 0.926 ( -0.892 1.274 -0.710) 1.709 1.058 ( -2.593 -6.325 -0.516) 6.855 1.058 ( -2.593 6.325 -0.516) 6.855 1.082 ( -1.740 -0.744 -0.820) 2.063 1.082 ( -1.740 0.744 -0.820) 2.063 1.143 ( -0.262 -3.997 -2.346) 4.642 1.143 ( -0.262 3.997 -2.346) 4.642 1.274 ( 1.502 -0.641 -1.232) 2.046 1.274 ( 1.502 0.641 -1.232) 2.046 1.348 ( 1.147 -1.899 -1.877) 2.906 1.348 ( 1.147 1.899 -1.877) 2.906 1.378 ( 2.841 -0.891 -0.844) 3.095 1.378 ( 2.841 0.891 -0.844) 3.095 1.403 ( 0.810 -1.838 1.152) 2.316 1.403 ( 0.810 1.838 1.152) 2.316 1.505 ( 1.757 -0.686 3.903) 4.335 1.505 ( 1.757 0.686 3.903) 4.335 1.537 ( 0.175 -1.934 2.242) 2.966 1.537 ( 0.175 1.934 2.242) 2.966 1.603 ( -1.584 -1.152 0.014) 1.959 1.603 ( -1.584 1.152 0.014) 1.959 1.680 ( -0.134 -1.019 2.493) 2.697 1.680 ( -0.134 1.019 2.493) 2.697 1.710 ( -2.708 -2.309 3.202) 4.787 1.710 ( -2.708 2.309 3.202) 4.787 1.784 ( -1.832 -0.700 -3.452) 3.970 1.784 ( -1.832 0.700 -3.452) 3.970 1.859 ( -3.366 -0.255 -1.775) 3.814 1.859 ( -3.366 0.255 -1.775) 3.814 1.923 ( -1.102 -0.732 -1.224) 1.802 1.923 ( -1.102 0.732 -1.224) 1.802 1.956 ( -0.933 -0.500 -2.037) 2.296 1.956 ( -0.933 0.500 -2.037) 2.295 2.035 ( -1.034 -1.381 -3.671) 4.056 2.035 ( -1.034 1.381 -3.671) 4.056 2.114 ( -0.989 -0.205 -0.660) 1.206 2.114 ( -0.989 0.205 -0.660) 1.206 2.153 ( 0.572 -1.009 1.134) 1.622 2.153 ( 0.573 1.009 1.134) 1.622 2.187 ( -1.740 -0.841 -0.273) 1.951 2.187 ( -1.740 0.841 -0.273) 1.951 2.231 ( 1.766 -2.333 -0.910) 3.065 2.231 ( 1.766 2.333 -0.910) 3.065 2.282 ( -0.265 -1.602 1.076) 1.948 2.282 ( -0.265 1.602 1.076) 1.948 2.367 ( -0.264 -1.779 3.461) 3.901 2.367 ( -0.264 1.779 3.461) 3.901 2.440 ( -1.131 -2.481 0.478) 2.769 2.440 ( -1.131 2.481 0.478) 2.769 2.511 ( -1.493 -1.691 -1.440) 2.676 2.511 ( -1.493 1.691 -1.440) 2.676 2.563 ( -0.268 -1.229 -1.973) 2.340 2.563 ( -0.268 1.229 -1.973) 2.340 2.644 ( 2.497 -2.179 0.226) 3.321 2.644 ( 2.497 2.179 0.226) 3.321 2.676 ( -2.191 -1.923 -0.913) 3.055 2.676 ( -2.191 1.923 -0.913) 3.055 2.752 ( 0.683 -1.142 2.637) 2.954 2.752 ( 0.683 1.142 2.637) 2.954 2.796 ( 1.413 -1.644 2.822) 3.559 2.796 ( 1.413 1.644 2.822) 3.559 2.844 ( 2.158 -0.596 -2.322) 3.225 2.844 ( 2.158 0.596 -2.322) 3.225 2.878 ( 1.498 -0.409 -0.294) 1.581 2.878 ( 1.498 0.409 -0.294) 1.581 2.914 ( 4.390 -1.068 1.689) 4.823 2.914 ( 4.390 1.068 1.689) 4.823 2.981 ( -3.089 -1.560 2.610) 4.334 2.981 ( -3.089 1.560 2.610) 4.334 3.067 ( 3.412 -1.257 2.552) 4.442 3.067 ( 3.412 1.257 2.552) 4.442 3.103 ( -0.639 -0.611 -1.233) 1.517 3.103 ( -0.639 0.611 -1.233) 1.517 3.179 ( -1.545 -0.404 0.110) 1.601 3.179 ( -1.545 0.404 0.110) 1.601 3.301 ( -5.321 -0.837 -1.532) 5.600 3.301 ( -5.321 0.837 -1.532) 5.600 3.401 ( 0.663 -0.784 -4.376) 4.495 3.401 ( 0.663 0.784 -4.376) 4.495 3.479 ( 2.943 -0.417 0.747) 3.064 3.479 ( 2.943 0.417 0.747) 3.064 3.521 ( -1.219 -0.053 -1.021) 1.591 3.521 ( -1.219 0.053 -1.021) 1.591 3.612 ( 0.947 -0.278 -3.135) 3.287 3.612 ( 0.947 0.278 -3.135) 3.287 3.640 ( 1.241 -0.312 -1.593) 2.043 3.640 ( 1.241 0.312 -1.593) 2.043 3.675 ( 0.606 -0.936 -3.352) 3.533 3.675 ( 0.606 0.936 -3.352) 3.533 3.705 ( 0.345 -0.185 -2.744) 2.772 3.705 ( 0.345 0.185 -2.744) 2.772 3.931 ( 0.670 -0.246 1.765) 1.904 3.931 ( 0.670 0.246 1.765) 1.904 3.974 ( -0.395 -0.319 0.721) 0.881 3.974 ( -0.395 0.319 0.721) 0.881 4.001 ( 1.458 -0.809 3.546) 3.918 4.001 ( 1.458 0.809 3.546) 3.918 4.045 ( -0.596 -0.858 1.124) 1.534 4.045 ( -0.596 0.858 1.124) 1.534 4.090 ( 0.081 -0.472 -0.059) 0.483 4.090 ( 0.081 0.472 -0.059) 0.483 4.159 ( -1.400 -0.707 -0.190) 1.579 4.159 ( -1.400 0.707 -0.190) 1.579 4.196 ( 0.166 -0.284 0.668) 0.745 4.196 ( 0.166 0.284 0.668) 0.745 4.272 ( -0.371 -1.135 0.778) 1.426 4.272 ( -0.371 1.135 0.778) 1.426 4.356 ( 0.319 -0.913 2.041) 2.258 4.356 ( 0.319 0.913 2.041) 2.258 4.507 ( -1.135 -0.755 -3.485) 3.742 4.507 ( -1.135 0.755 -3.485) 3.742 4.564 ( 2.221 -0.672 1.187) 2.606 4.564 ( 2.221 0.672 1.187) 2.606 4.617 ( -1.281 -0.477 -0.793) 1.580 4.617 ( -1.281 0.477 -0.793) 1.580 4.747 ( -0.049 -0.743 2.968) 3.060 4.747 ( -0.049 0.743 2.968) 3.060 4.796 ( 1.861 -0.564 -0.588) 2.031 4.796 ( 1.861 0.564 -0.588) 2.031 4.862 ( -1.714 -0.640 0.469) 1.889 4.862 ( -1.714 0.640 0.469) 1.889 4.873 ( -1.440 -0.515 -0.042) 1.530 4.873 ( -1.440 0.515 -0.042) 1.530 5.133 ( -2.417 -0.261 -2.576) 3.543 5.133 ( -2.417 0.261 -2.576) 3.543 5.168 ( -0.976 -0.533 -1.547) 1.905 5.168 ( -0.976 0.533 -1.547) 1.905 5.314 ( 7.840 -0.247 3.892) 8.757 5.314 ( 7.840 0.247 3.892) 8.757 5.430 ( -3.507 -0.271 -1.069) 3.677 5.430 ( -3.507 0.271 -1.069) 3.677 5.560 ( -0.054 -0.968 0.863) 1.298 5.560 ( -0.054 0.968 0.863) 1.298 5.611 ( -0.073 -0.845 -0.993) 1.306 5.611 ( -0.073 0.845 -0.993) 1.306 5.886 ( -0.031 -0.052 0.119) 0.134 5.886 ( -0.031 0.052 0.119) 0.134 5.966 ( 0.007 -0.218 0.180) 0.283 5.966 ( 0.007 0.218 0.180) 0.283 6.519 ( -0.224 -0.404 1.914) 1.969 6.519 ( -0.224 0.404 1.914) 1.969 6.635 ( 0.394 -0.761 -2.494) 2.637 6.635 ( 0.394 0.761 -2.494) 2.637 6.734 ( 1.407 -1.082 1.178) 2.130 6.734 ( 1.407 1.082 1.178) 2.130 6.805 ( -3.044 -0.986 -1.069) 3.374 6.805 ( -3.044 0.986 -1.069) 3.374 6.880 ( 2.247 -1.078 1.673) 3.001 6.880 ( 2.247 1.078 1.673) 3.001 6.961 ( -1.419 -0.877 -1.328) 2.132 6.961 ( -1.419 0.877 -1.328) 2.132 7.012 ( -0.758 -0.840 0.439) 1.213 7.012 ( -0.758 0.840 0.439) 1.213 7.034 ( 1.372 -0.291 0.040) 1.403 7.034 ( 1.372 0.291 0.040) 1.403 7.152 ( 0.240 -0.106 0.172) 0.313 7.152 ( 0.240 0.106 0.172) 0.313 7.173 ( 0.321 -0.198 0.418) 0.563 7.173 ( 0.321 0.198 0.418) 0.563 7.244 ( -0.207 -0.191 0.173) 0.331 7.244 ( -0.207 0.191 0.173) 0.331 7.255 ( -0.321 -0.056 -0.460) 0.564 7.255 ( -0.321 0.056 -0.460) 0.564 7.421 ( -0.063 -0.108 0.296) 0.322 7.421 ( -0.063 0.108 0.296) 0.322 7.438 ( 0.104 -0.099 -0.233) 0.274 7.438 ( 0.104 0.099 -0.233) 0.274 7.645 ( -0.063 -0.126 0.522) 0.541 7.645 ( -0.063 0.126 0.522) 0.541 7.671 ( 0.177 -0.250 -0.377) 0.486 7.671 ( 0.177 0.250 -0.377) 0.486 7.727 ( 0.062 -0.045 0.130) 0.151 7.727 ( 0.062 0.045 0.130) 0.151 7.738 ( -0.068 -0.065 -0.268) 0.285 7.738 ( -0.068 0.065 -0.268) 0.285 16.588 ( -0.078 -0.835 0.338) 0.904 16.588 ( -0.078 0.835 0.338) 0.904 16.609 ( -0.182 -0.967 -0.346) 1.043 16.609 ( -0.182 0.967 -0.346) 1.043 16.888 ( -0.490 -0.498 0.307) 0.763 16.888 ( -0.490 0.498 0.307) 0.763 16.902 ( 1.055 -0.418 0.003) 1.135 16.902 ( 1.055 0.418 0.003) 1.135 17.072 ( 0.263 -0.164 0.138) 0.340 17.072 ( 0.263 0.164 0.138) 0.340 17.092 ( 0.212 -0.222 0.683) 0.749 17.092 ( 0.212 0.222 0.683) 0.749 17.334 ( 0.604 -0.138 0.300) 0.688 17.334 ( 0.604 0.138 0.300) 0.688 17.376 ( -0.411 -0.191 -0.560) 0.721 17.376 ( -0.411 0.191 -0.560) 0.721 17.759 ( 0.690 -1.303 0.740) 1.649 17.759 ( 0.690 1.303 0.740) 1.649 17.817 ( -0.646 -2.783 -0.828) 2.974 17.817 ( -0.646 2.783 -0.828) 2.974 18.237 ( -0.412 -0.556 2.142) 2.251 18.237 ( -0.412 0.556 2.142) 2.251 18.277 ( -1.880 -0.807 0.221) 2.057 18.277 ( -1.880 0.807 0.221) 2.057 18.321 ( 0.307 -0.242 2.623) 2.652 18.321 ( 0.307 0.242 2.623) 2.652 18.476 ( 1.589 -0.646 -1.547) 2.310 18.476 ( 1.589 0.646 -1.547) 2.310 18.638 ( -0.130 -0.462 -1.687) 1.754 18.638 ( -0.130 0.462 -1.687) 1.754 18.676 ( -0.996 -0.888 -2.209) 2.580 18.676 ( -0.996 0.888 -2.209) 2.580 18.825 ( 3.101 -1.147 0.367) 3.327 18.825 ( 3.101 1.147 0.367) 3.327 18.849 ( -1.164 -1.155 -0.346) 1.676 18.849 ( -1.164 1.155 -0.346) 1.676 19.304 ( -3.466 -0.082 0.846) 3.568 19.304 ( -3.466 0.082 0.846) 3.568 19.329 ( 2.184 -0.225 -0.134) 2.199 19.329 ( 2.184 0.225 -0.134) 2.199 19.977 ( -1.128 -0.299 0.173) 1.180 19.977 ( -1.128 0.299 0.173) 1.180 19.986 ( 2.135 -0.514 0.396) 2.232 19.986 ( 2.135 0.514 0.396) 2.232 20.272 ( -2.135 -0.794 1.594) 2.780 20.272 ( -2.135 0.794 1.594) 2.780 20.390 ( 1.179 -0.495 -2.372) 2.695 20.390 ( 1.179 0.495 -2.372) 2.695 ======================= Grid point 35 (19/30) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -1.452 -1.034 3.883) 4.272 0.755 ( -1.452 1.034 3.883) 4.272 0.863 ( 4.761 -5.440 3.273) 7.935 0.863 ( 4.761 5.440 3.273) 7.935 0.939 ( 3.532 -4.057 4.053) 6.735 0.939 ( 3.532 4.057 4.053) 6.735 1.018 ( -2.347 -0.887 -0.306) 2.528 1.018 ( -2.347 0.887 -0.306) 2.528 1.101 ( -0.708 -2.414 -3.100) 3.992 1.101 ( -0.708 2.414 -3.100) 3.992 1.158 ( 4.201 -1.408 1.751) 4.764 1.158 ( 4.201 1.408 1.751) 4.764 1.281 ( -1.448 -2.707 -4.974) 5.845 1.281 ( -1.448 2.707 -4.974) 5.845 1.333 ( 0.850 -2.062 -0.309) 2.252 1.333 ( 0.850 2.062 -0.309) 2.252 1.408 ( -0.657 -1.065 -1.723) 2.130 1.408 ( -0.657 1.065 -1.723) 2.130 1.462 ( 1.315 -1.821 1.817) 2.889 1.462 ( 1.315 1.821 1.817) 2.889 1.501 ( -1.824 -2.186 2.854) 4.031 1.501 ( -1.824 2.186 2.854) 4.031 1.529 ( 0.776 -1.733 3.617) 4.085 1.529 ( 0.776 1.733 3.617) 4.085 1.607 ( -1.390 -1.001 -1.258) 2.125 1.607 ( -1.390 1.001 -1.258) 2.125 1.645 ( 1.669 -1.845 -1.815) 3.080 1.645 ( 1.669 1.845 -1.815) 3.080 1.697 ( -0.883 -1.662 7.018) 7.266 1.697 ( -0.883 1.662 7.018) 7.266 1.781 ( 1.362 -1.727 -2.116) 3.053 1.781 ( 1.362 1.727 -2.116) 3.053 1.840 ( 1.185 -1.200 1.155) 2.044 1.840 ( 1.185 1.200 1.155) 2.044 1.907 ( -0.556 -0.729 -0.510) 1.049 1.907 ( -0.556 0.729 -0.510) 1.049 1.973 ( 2.177 -0.528 2.060) 3.043 1.973 ( 2.177 0.528 2.060) 3.043 2.031 ( 1.984 -1.263 -3.328) 4.075 2.031 ( 1.984 1.263 -3.328) 4.075 2.077 ( -1.221 -0.324 1.595) 2.035 2.077 ( -1.221 0.324 1.595) 2.035 2.123 ( -2.128 -1.836 0.505) 2.856 2.123 ( -2.128 1.836 0.505) 2.856 2.202 ( 0.879 -0.628 -1.033) 1.495 2.202 ( 0.879 0.628 -1.033) 1.495 2.271 ( 1.137 -2.196 1.536) 2.911 2.271 ( 1.137 2.196 1.536) 2.911 2.304 ( 2.193 -3.343 1.605) 4.308 2.304 ( 2.193 3.343 1.605) 4.308 2.372 ( 1.728 -2.407 1.146) 3.177 2.372 ( 1.728 2.407 1.146) 3.177 2.412 ( -0.388 -0.596 1.186) 1.383 2.412 ( -0.388 0.596 1.186) 1.383 2.473 ( -1.817 -0.620 1.081) 2.204 2.473 ( -1.817 0.620 1.081) 2.204 2.551 ( -4.644 -1.227 -0.968) 4.899 2.551 ( -4.644 1.227 -0.968) 4.899 2.570 ( -1.106 -0.717 -3.538) 3.776 2.570 ( -1.106 0.717 -3.538) 3.776 2.685 ( -2.888 -2.154 0.057) 3.603 2.685 ( -2.888 2.154 0.057) 3.603 2.738 ( -2.558 -0.679 2.184) 3.432 2.738 ( -2.558 0.679 2.184) 3.432 2.761 ( -2.891 -2.030 -0.864) 3.637 2.761 ( -2.891 2.030 -0.864) 3.637 2.844 ( -2.002 -0.593 -2.240) 3.062 2.844 ( -2.002 0.593 -2.240) 3.062 2.871 ( -3.775 -0.850 -1.355) 4.100 2.871 ( -3.775 0.850 -1.355) 4.100 2.923 ( 0.345 -1.569 2.328) 2.829 2.923 ( 0.345 1.569 2.328) 2.829 2.998 ( 1.172 -0.424 -1.406) 1.878 2.998 ( 1.172 0.424 -1.406) 1.878 3.089 ( 1.428 -1.023 1.574) 2.358 3.089 ( 1.428 1.023 1.574) 2.358 3.135 ( 0.225 -0.367 -1.359) 1.425 3.135 ( 0.225 0.367 -1.359) 1.425 3.200 ( 4.055 -1.826 0.893) 4.536 3.200 ( 4.055 1.826 0.893) 4.536 3.269 ( 1.094 -0.939 1.895) 2.381 3.269 ( 1.094 0.939 1.895) 2.381 3.358 ( -1.585 -0.811 -2.066) 2.728 3.358 ( -1.585 0.811 -2.066) 2.728 3.456 ( -3.367 -1.249 -1.945) 4.084 3.456 ( -3.367 1.249 -1.945) 4.084 3.528 ( 0.761 -0.725 1.183) 1.582 3.528 ( 0.761 0.725 1.183) 1.582 3.619 ( 1.199 -0.637 -3.704) 3.945 3.619 ( 1.199 0.637 -3.704) 3.945 3.667 ( 1.953 -0.337 -2.506) 3.195 3.667 ( 1.953 0.337 -2.506) 3.195 3.697 ( 1.651 -0.700 -3.561) 3.987 3.697 ( 1.651 0.700 -3.561) 3.987 3.706 ( 1.596 -0.443 -2.475) 2.978 3.706 ( 1.596 0.443 -2.475) 2.978 3.969 ( 1.992 -0.598 1.243) 2.423 3.969 ( 1.992 0.598 1.243) 2.423 3.989 ( 0.852 -0.740 0.974) 1.491 3.989 ( 0.852 0.740 0.974) 1.491 4.023 ( -0.520 -1.042 0.498) 1.267 4.023 ( -0.520 1.042 0.498) 1.267 4.048 ( 0.359 -0.811 1.261) 1.542 4.048 ( 0.359 0.811 1.261) 1.542 4.102 ( -0.700 -0.777 -0.101) 1.051 4.102 ( -0.700 0.777 -0.101) 1.051 4.121 ( -0.329 -0.557 1.245) 1.403 4.121 ( -0.329 0.557 1.245) 1.403 4.217 ( 1.010 -0.099 0.369) 1.080 4.217 ( 1.010 0.099 0.369) 1.080 4.269 ( -0.089 -0.506 1.162) 1.270 4.269 ( -0.089 0.506 1.162) 1.270 4.357 ( -1.484 -1.100 2.639) 3.222 4.357 ( -1.484 1.100 2.639) 3.222 4.460 ( -1.428 -0.343 -2.567) 2.957 4.460 ( -1.428 0.343 -2.567) 2.957 4.553 ( -1.888 -0.766 -1.616) 2.600 4.553 ( -1.888 0.766 -1.616) 2.600 4.641 ( 1.938 -0.860 0.786) 2.261 4.641 ( 1.938 0.860 0.786) 2.261 4.741 ( -1.242 -0.831 0.580) 1.603 4.741 ( -1.242 0.831 0.580) 1.603 4.817 ( 0.597 -0.456 0.100) 0.758 4.817 ( 0.597 0.456 0.100) 0.758 4.864 ( 1.776 -0.260 1.053) 2.081 4.864 ( 1.776 0.260 1.053) 2.081 4.883 ( 1.568 -0.646 1.767) 2.449 4.883 ( 1.568 0.646 1.767) 2.449 5.096 ( -0.947 -0.438 -0.575) 1.191 5.096 ( -0.947 0.438 -0.575) 1.191 5.143 ( -1.486 -0.336 -0.165) 1.533 5.143 ( -1.486 0.336 -0.165) 1.533 5.309 ( -4.543 -0.971 -3.019) 5.540 5.309 ( -4.543 0.971 -3.019) 5.540 5.459 ( 3.461 -0.661 1.490) 3.826 5.459 ( 3.461 0.661 1.490) 3.826 5.566 ( 0.017 -0.623 1.029) 1.204 5.566 ( 0.017 0.623 1.029) 1.204 5.602 ( -0.121 -0.849 -1.006) 1.322 5.602 ( -0.121 0.849 -1.006) 1.322 5.895 ( 0.576 -0.645 0.084) 0.869 5.895 ( 0.576 0.645 0.084) 0.869 5.982 ( 1.246 -0.881 0.151) 1.534 5.982 ( 1.246 0.881 0.151) 1.534 6.526 ( -0.152 -0.465 1.962) 2.022 6.526 ( -0.152 0.465 1.962) 2.022 6.625 ( 0.008 -0.733 -2.554) 2.657 6.625 ( 0.008 0.733 -2.554) 2.657 6.740 ( -1.334 -0.831 -0.421) 1.628 6.740 ( -1.334 0.831 -0.421) 1.628 6.790 ( 1.432 -1.064 1.622) 2.411 6.790 ( 1.432 1.064 1.622) 2.411 6.906 ( -0.722 -0.149 -0.565) 0.929 6.906 ( -0.722 0.149 -0.565) 0.929 6.944 ( 1.117 -0.551 0.568) 1.368 6.944 ( 1.117 0.551 0.568) 1.368 6.992 ( -1.317 -0.695 0.141) 1.496 6.992 ( -1.317 0.695 0.141) 1.496 7.057 ( 0.799 -0.520 -0.432) 1.047 7.057 ( 0.799 0.520 -0.432) 1.047 7.152 ( -0.267 -0.107 0.023) 0.289 7.152 ( -0.267 0.107 0.023) 0.289 7.176 ( -0.160 -0.315 -0.155) 0.386 7.176 ( -0.160 0.315 -0.155) 0.386 7.244 ( 0.128 -0.066 0.200) 0.246 7.244 ( 0.128 0.066 0.200) 0.246 7.252 ( 0.176 -0.083 0.146) 0.244 7.252 ( 0.176 0.083 0.146) 0.244 7.421 ( -0.127 -0.204 0.233) 0.335 7.421 ( -0.127 0.204 0.233) 0.335 7.439 ( 0.084 -0.076 -0.240) 0.265 7.439 ( 0.084 0.076 -0.240) 0.265 7.647 ( -0.055 -0.190 0.460) 0.501 7.647 ( -0.055 0.190 0.460) 0.501 7.672 ( 0.119 -0.182 -0.467) 0.515 7.672 ( 0.119 0.182 -0.467) 0.515 7.729 ( 0.008 -0.060 0.161) 0.172 7.729 ( 0.008 0.060 0.161) 0.172 7.733 ( -0.167 -0.044 -0.262) 0.313 7.733 ( -0.167 0.044 -0.262) 0.313 16.598 ( 0.686 -0.858 0.302) 1.139 16.598 ( 0.686 0.858 0.302) 1.139 16.607 ( 0.085 -0.699 -0.135) 0.717 16.607 ( 0.085 0.699 -0.135) 0.717 16.878 ( -0.477 -0.362 0.372) 0.704 16.878 ( -0.477 0.362 0.372) 0.704 16.938 ( 1.906 -1.369 -0.786) 2.475 16.938 ( 1.906 1.369 -0.786) 2.475 17.075 ( -0.125 -0.434 -0.047) 0.454 17.075 ( -0.125 0.434 -0.047) 0.454 17.104 ( 0.642 -0.697 0.152) 0.959 17.104 ( 0.642 0.697 0.152) 0.959 17.324 ( -1.417 -0.229 -0.425) 1.497 17.324 ( -1.417 0.229 -0.425) 1.497 17.357 ( -1.026 -1.152 0.040) 1.543 17.357 ( -1.026 1.152 0.040) 1.543 17.792 ( 1.655 -0.245 0.111) 1.676 17.792 ( 1.655 0.245 0.111) 1.676 17.824 ( 1.581 -0.261 -0.169) 1.612 17.824 ( 1.581 0.261 -0.169) 1.612 18.201 ( -2.782 -0.494 0.956) 2.983 18.201 ( -2.782 0.494 0.956) 2.983 18.248 ( -1.134 -0.121 2.470) 2.721 18.248 ( -1.134 0.121 2.470) 2.721 18.367 ( 1.990 -0.539 1.649) 2.640 18.367 ( 1.990 0.539 1.649) 2.640 18.476 ( -0.913 -0.875 -1.654) 2.083 18.476 ( -0.913 0.875 -1.654) 2.083 18.630 ( 0.193 -0.193 -1.541) 1.565 18.630 ( 0.193 0.193 -1.541) 1.565 18.674 ( 1.399 -0.408 -1.407) 2.026 18.674 ( 1.399 0.408 -1.407) 2.026 18.791 ( -1.774 -0.704 -0.849) 2.089 18.791 ( -1.774 0.704 -0.849) 2.089 18.921 ( 3.560 -1.786 -0.705) 4.045 18.921 ( 3.560 1.786 -0.705) 4.045 19.226 ( -3.382 -0.129 1.542) 3.719 19.226 ( -3.382 0.129 1.542) 3.719 19.382 ( 1.957 -0.156 0.365) 1.997 19.382 ( 1.957 0.156 0.365) 1.997 19.952 ( -0.252 -0.438 -0.580) 0.769 19.952 ( -0.252 0.438 -0.580) 0.769 20.048 ( 2.195 -0.667 0.127) 2.298 20.048 ( 2.195 0.667 0.127) 2.298 20.227 ( -2.380 -0.800 2.177) 3.323 20.227 ( -2.380 0.800 2.177) 3.323 20.396 ( 0.419 -0.332 -1.899) 1.972 20.396 ( 0.419 0.332 -1.899) 1.972 ======================= Grid point 37 (20/30) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -3.532 -4.267 -0.533) 5.565 0.706 ( -3.532 4.267 -0.533) 5.565 0.877 ( -6.000 -4.545 0.739) 7.563 0.877 ( -6.000 4.545 0.739) 7.563 0.985 ( 2.945 -6.046 4.451) 8.065 0.985 ( 2.945 6.046 4.451) 8.065 1.083 ( 2.251 -3.325 1.634) 4.335 1.083 ( 2.251 3.325 1.634) 4.335 1.122 ( 0.795 -0.462 -2.104) 2.297 1.122 ( 0.795 0.462 -2.104) 2.297 1.161 ( 1.485 -0.956 -4.676) 4.998 1.161 ( 1.485 0.956 -4.676) 4.998 1.218 ( -0.026 -2.895 -0.715) 2.982 1.218 ( -0.026 2.895 -0.715) 2.982 1.310 ( -2.592 -1.819 0.124) 3.169 1.310 ( -2.592 1.819 0.124) 3.169 1.415 ( 0.786 -0.575 1.192) 1.539 1.415 ( 0.786 0.575 1.192) 1.539 1.454 ( -3.287 -2.608 3.274) 5.322 1.454 ( -3.287 2.608 3.274) 5.322 1.501 ( -0.374 -1.036 -1.735) 2.055 1.501 ( -0.374 1.036 -1.735) 2.055 1.535 ( -4.310 -1.313 -1.695) 4.813 1.535 ( -4.310 1.313 -1.695) 4.813 1.598 ( 3.295 -0.895 3.841) 5.139 1.598 ( 3.295 0.895 3.841) 5.139 1.663 ( -2.008 -0.806 2.297) 3.155 1.663 ( -2.008 0.806 2.297) 3.155 1.722 ( 3.834 -4.157 -1.794) 5.933 1.722 ( 3.834 4.157 -1.794) 5.933 1.794 ( 0.224 -0.480 0.600) 0.800 1.794 ( 0.224 0.480 0.600) 0.800 1.863 ( -1.981 -1.884 0.985) 2.906 1.863 ( -1.981 1.884 0.985) 2.906 1.910 ( -0.931 -0.390 0.672) 1.213 1.910 ( -0.931 0.390 0.672) 1.213 1.959 ( 1.033 -0.583 3.999) 4.171 1.959 ( 1.033 0.583 3.999) 4.171 2.066 ( 1.240 -1.288 0.685) 1.914 2.066 ( 1.240 1.288 0.685) 1.914 2.105 ( 2.946 -0.818 2.256) 3.800 2.105 ( 2.946 0.818 2.256) 3.800 2.159 ( 2.717 -1.583 2.453) 3.988 2.159 ( 2.717 1.583 2.453) 3.988 2.201 ( -0.219 -1.228 -0.624) 1.395 2.201 ( -0.219 1.228 -0.624) 1.395 2.266 ( -1.280 -1.267 -1.445) 2.309 2.266 ( -1.280 1.267 -1.445) 2.309 2.336 ( -0.069 -1.622 -2.132) 2.680 2.336 ( -0.069 1.622 -2.132) 2.680 2.381 ( -4.072 -0.316 -0.363) 4.101 2.381 ( -4.072 0.316 -0.363) 4.101 2.408 ( -2.447 -2.066 1.008) 3.357 2.408 ( -2.447 2.066 1.008) 3.357 2.449 ( 0.922 -0.814 2.337) 2.641 2.449 ( 0.922 0.814 2.337) 2.641 2.534 ( 3.169 -0.818 3.537) 4.819 2.534 ( 3.169 0.818 3.537) 4.819 2.582 ( 3.726 -0.998 -0.479) 3.887 2.582 ( 3.726 0.998 -0.479) 3.887 2.618 ( -1.108 -2.703 -1.893) 3.481 2.618 ( -1.108 2.703 -1.893) 3.481 2.695 ( -1.480 -1.841 1.196) 2.648 2.695 ( -1.480 1.841 1.196) 2.648 2.743 ( 1.933 -1.689 -1.037) 2.769 2.743 ( 1.933 1.689 -1.037) 2.769 2.773 ( -2.478 -1.195 -1.808) 3.292 2.773 ( -2.478 1.195 -1.808) 3.292 2.815 ( -0.370 -1.573 -1.319) 2.086 2.815 ( -0.370 1.573 -1.319) 2.086 2.961 ( 1.341 -1.099 -2.428) 2.983 2.961 ( 1.341 1.099 -2.428) 2.983 3.016 ( 1.258 -0.492 2.244) 2.619 3.016 ( 1.258 0.492 2.244) 2.619 3.072 ( -4.949 -1.544 -0.682) 5.229 3.072 ( -4.949 1.544 -0.682) 5.229 3.121 ( 0.117 -0.724 -0.843) 1.117 3.121 ( 0.117 0.724 -0.843) 1.117 3.233 ( 0.440 -0.991 -1.085) 1.534 3.233 ( 0.440 0.991 -1.085) 1.534 3.280 ( -0.427 -0.927 0.532) 1.151 3.280 ( -0.427 0.927 0.532) 1.151 3.371 ( -0.346 -1.408 -1.631) 2.182 3.371 ( -0.346 1.408 -1.631) 2.182 3.432 ( 3.965 -2.049 2.073) 4.921 3.432 ( 3.965 2.049 2.073) 4.921 3.540 ( -0.515 -0.475 1.385) 1.552 3.540 ( -0.515 0.475 1.385) 1.552 3.611 ( -0.056 -1.085 -4.244) 4.381 3.611 ( -0.056 1.085 -4.244) 4.381 3.677 ( 0.050 -0.298 -2.519) 2.537 3.677 ( 0.050 0.298 -2.519) 2.537 3.701 ( 1.304 -0.459 -4.254) 4.473 3.701 ( 1.304 0.459 -4.254) 4.473 3.723 ( 0.732 -0.645 -2.529) 2.711 3.723 ( 0.732 0.645 -2.529) 2.711 3.986 ( -1.549 -0.267 1.995) 2.540 3.986 ( -1.549 0.267 1.995) 2.540 4.013 ( 1.346 -0.311 0.606) 1.508 4.013 ( 1.346 0.311 0.606) 1.508 4.031 ( 0.917 -1.302 0.560) 1.688 4.031 ( 0.917 1.302 0.560) 1.688 4.048 ( -1.313 -0.523 0.843) 1.646 4.048 ( -1.313 0.523 0.843) 1.646 4.096 ( -0.131 -0.456 1.265) 1.351 4.096 ( -0.131 0.456 1.265) 1.351 4.115 ( -0.573 -0.254 0.112) 0.637 4.115 ( -0.573 0.254 0.112) 0.637 4.229 ( -0.021 -0.351 0.433) 0.557 4.229 ( -0.021 0.351 0.433) 0.557 4.273 ( -0.500 -0.442 0.717) 0.980 4.273 ( -0.500 0.442 0.717) 0.980 4.346 ( -0.556 -0.442 3.156) 3.235 4.346 ( -0.556 0.442 3.156) 3.235 4.440 ( 0.964 -0.160 -1.561) 1.841 4.440 ( 0.964 0.160 -1.561) 1.841 4.543 ( 1.405 -0.664 -1.182) 1.952 4.543 ( 1.405 0.664 -1.182) 1.952 4.601 ( -3.430 -0.782 -4.098) 5.401 4.601 ( -3.430 0.782 -4.098) 5.401 4.722 ( -0.688 -0.920 0.759) 1.377 4.722 ( -0.688 0.920 0.759) 1.377 4.801 ( -1.592 -0.249 -2.147) 2.684 4.801 ( -1.592 0.249 -2.147) 2.684 4.903 ( 0.498 -0.139 2.252) 2.311 4.903 ( 0.498 0.139 2.252) 2.311 4.917 ( -0.083 -0.384 1.937) 1.976 4.917 ( -0.083 0.384 1.937) 1.976 5.105 ( 1.553 -0.296 1.256) 2.019 5.105 ( 1.553 0.296 1.256) 2.019 5.146 ( 1.469 -0.179 1.785) 2.319 5.146 ( 1.469 0.179 1.785) 2.319 5.294 ( 3.881 -0.957 0.749) 4.067 5.294 ( 3.881 0.957 0.749) 4.067 5.444 ( -4.122 -1.159 -3.407) 5.471 5.444 ( -4.122 1.159 -3.407) 5.471 5.569 ( -0.289 -0.482 0.992) 1.140 5.569 ( -0.289 0.482 0.992) 1.140 5.606 ( 0.681 -0.344 -0.399) 0.861 5.606 ( 0.681 0.344 -0.399) 0.861 5.909 ( 0.585 -0.646 0.811) 1.191 5.909 ( 0.585 0.646 0.811) 1.191 5.980 ( -1.267 -0.951 -1.401) 2.115 5.980 ( -1.267 0.951 -1.401) 2.115 6.528 ( -0.623 -0.544 1.833) 2.011 6.528 ( -0.623 0.544 1.833) 2.011 6.624 ( 1.043 -0.702 -2.017) 2.377 6.624 ( 1.043 0.702 -2.017) 2.377 6.740 ( 1.097 -0.566 0.950) 1.557 6.740 ( 1.097 0.566 0.950) 1.557 6.787 ( -1.770 -0.675 -0.414) 1.939 6.787 ( -1.770 0.675 -0.414) 1.939 6.910 ( 0.998 -0.379 0.683) 1.268 6.910 ( 0.998 0.379 0.683) 1.268 6.948 ( -1.040 -0.736 -0.476) 1.360 6.948 ( -1.040 0.736 -0.476) 1.360 6.990 ( 0.933 -0.863 1.302) 1.820 6.990 ( 0.933 0.863 1.302) 1.820 7.057 ( -0.394 -0.523 -1.131) 1.307 7.057 ( -0.394 0.523 -1.131) 1.307 7.146 ( -0.206 -0.204 -0.251) 0.384 7.146 ( -0.206 0.204 -0.251) 0.384 7.168 ( -0.315 -0.413 -0.398) 0.655 7.168 ( -0.315 0.413 -0.398) 0.655 7.249 ( 0.065 -0.061 0.438) 0.447 7.249 ( 0.065 0.061 0.438) 0.447 7.259 ( 0.288 -0.086 0.362) 0.471 7.259 ( 0.288 0.086 0.362) 0.471 7.420 ( -0.047 -0.222 0.237) 0.328 7.420 ( -0.047 0.222 0.237) 0.328 7.439 ( 0.013 -0.065 -0.294) 0.301 7.439 ( 0.013 0.065 -0.294) 0.301 7.646 ( -0.159 -0.182 0.389) 0.458 7.646 ( -0.159 0.182 0.389) 0.458 7.671 ( 0.044 -0.186 -0.544) 0.576 7.671 ( 0.044 0.186 -0.544) 0.576 7.728 ( -0.104 -0.039 0.057) 0.125 7.728 ( -0.104 0.039 0.057) 0.125 7.732 ( 0.171 -0.045 -0.113) 0.210 7.732 ( 0.171 0.045 -0.113) 0.210 16.606 ( -0.130 -0.636 0.128) 0.661 16.606 ( -0.130 0.636 0.128) 0.661 16.612 ( 0.331 -0.372 0.306) 0.584 16.612 ( 0.331 0.372 0.306) 0.584 16.878 ( 0.151 -0.451 0.884) 1.004 16.878 ( 0.151 0.451 0.884) 1.004 16.954 ( 0.009 -1.249 -1.391) 1.869 16.954 ( 0.009 1.249 -1.391) 1.869 17.071 ( -0.100 -0.649 0.011) 0.657 17.071 ( -0.100 0.649 0.011) 0.657 17.101 ( -0.799 -0.992 -1.078) 1.669 17.101 ( -0.799 0.992 -1.078) 1.669 17.309 ( 0.282 -0.285 -0.126) 0.420 17.309 ( 0.282 0.285 -0.126) 0.420 17.342 ( -0.049 -0.933 -0.015) 0.935 17.342 ( -0.049 0.933 -0.015) 0.935 17.803 ( -0.663 -0.081 -0.497) 0.832 17.803 ( -0.663 0.081 -0.497) 0.832 17.847 ( 0.273 -0.306 0.074) 0.417 17.847 ( 0.273 0.306 0.074) 0.417 18.195 ( 1.279 -0.272 3.014) 3.285 18.195 ( 1.279 0.272 3.014) 3.285 18.255 ( 0.418 -0.364 3.276) 3.322 18.255 ( 0.418 0.364 3.276) 3.322 18.359 ( -2.715 -0.212 -1.619) 3.169 18.359 ( -2.715 0.212 -1.619) 3.169 18.444 ( -0.531 -0.475 -2.477) 2.577 18.444 ( -0.531 0.475 -2.477) 2.577 18.648 ( 1.304 -0.458 0.551) 1.487 18.648 ( 1.304 0.458 0.551) 1.487 18.702 ( 1.703 -0.651 -1.169) 2.165 18.702 ( 1.703 0.651 -1.169) 2.165 18.789 ( 1.709 -0.689 0.734) 1.984 18.789 ( 1.709 0.689 0.734) 1.984 18.902 ( -3.824 -1.739 -4.278) 5.995 18.902 ( -3.824 1.739 -4.278) 5.995 19.243 ( 2.973 -0.464 4.937) 5.782 19.243 ( 2.973 0.464 4.937) 5.782 19.380 ( -1.824 -0.302 -1.566) 2.423 19.380 ( -1.824 0.302 -1.566) 2.423 19.971 ( 1.812 -0.120 0.789) 1.980 19.971 ( 1.812 0.120 0.789) 1.980 20.032 ( -2.830 -0.309 -2.038) 3.501 20.032 ( -2.830 0.309 -2.038) 3.501 20.234 ( 1.286 -0.546 3.437) 3.710 20.234 ( 1.286 0.546 3.437) 3.710 20.389 ( -0.041 -0.135 -2.146) 2.150 20.389 ( -0.041 0.135 -2.146) 2.150 ======================= Grid point 39 (21/30) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( -6.173 -6.103 7.232) 11.299 0.595 ( -6.173 6.103 7.232) 11.299 0.784 ( -8.056 -9.298 3.084) 12.683 0.784 ( -8.056 9.298 3.084) 12.683 0.932 ( -2.950 -1.825 -1.564) 3.805 0.932 ( -2.950 1.825 -1.564) 3.805 1.066 ( 0.778 -1.956 1.879) 2.822 1.066 ( 0.778 1.956 1.879) 2.822 1.139 ( 0.202 -3.577 -1.827) 4.021 1.139 ( 0.202 3.577 -1.827) 4.021 1.204 ( -0.613 -2.284 0.734) 2.477 1.204 ( -0.613 2.284 0.734) 2.477 1.222 ( -0.177 -3.678 -2.140) 4.259 1.222 ( -0.177 3.678 -2.140) 4.259 1.333 ( 1.873 -4.569 -0.140) 4.940 1.333 ( 1.873 4.569 -0.140) 4.940 1.385 ( -3.268 -1.443 -2.139) 4.164 1.385 ( -3.268 1.443 -2.139) 4.164 1.405 ( 1.184 -1.109 2.277) 2.796 1.405 ( 1.184 1.109 2.277) 2.796 1.442 ( -1.356 -0.907 0.367) 1.672 1.442 ( -1.356 0.907 0.367) 1.672 1.507 ( 0.208 -1.846 1.044) 2.132 1.507 ( 0.208 1.846 1.044) 2.132 1.646 ( 1.623 -0.463 2.060) 2.663 1.646 ( 1.623 0.463 2.060) 2.663 1.670 ( -2.552 -1.670 0.079) 3.051 1.670 ( -2.552 1.670 0.079) 3.051 1.747 ( -2.520 -1.734 4.182) 5.181 1.747 ( -2.520 1.734 4.182) 5.181 1.807 ( 1.741 -1.121 0.235) 2.084 1.807 ( 1.741 1.121 0.235) 2.084 1.857 ( 2.559 -1.108 0.887) 2.926 1.857 ( 2.559 1.108 0.887) 2.926 1.917 ( 1.587 -0.777 -1.669) 2.431 1.917 ( 1.587 0.777 -1.669) 2.431 2.005 ( -0.187 -2.044 0.982) 2.275 2.005 ( -0.187 2.044 0.982) 2.275 2.098 ( 0.242 -1.668 0.453) 1.745 2.098 ( 0.242 1.668 0.453) 1.745 2.109 ( -3.391 -1.977 -0.097) 3.927 2.109 ( -3.391 1.977 -0.097) 3.927 2.171 ( -0.717 -1.586 0.026) 1.741 2.171 ( -0.717 1.586 0.026) 1.741 2.220 ( -0.574 -1.321 0.160) 1.449 2.220 ( -0.574 1.321 0.160) 1.449 2.239 ( -0.609 -1.447 -1.399) 2.103 2.239 ( -0.609 1.447 -1.399) 2.103 2.270 ( -1.389 -2.993 -0.824) 3.401 2.270 ( -1.389 2.993 -0.824) 3.401 2.326 ( 0.543 -2.841 3.793) 4.770 2.326 ( 0.543 2.841 3.793) 4.770 2.451 ( 1.867 -1.259 1.525) 2.719 2.451 ( 1.867 1.259 1.525) 2.719 2.476 ( 1.042 -0.872 0.940) 1.652 2.476 ( 1.042 0.872 0.940) 1.652 2.569 ( 2.141 -1.200 -0.971) 2.639 2.569 ( 2.141 1.200 -0.971) 2.639 2.622 ( 0.338 -1.979 -2.077) 2.888 2.622 ( 0.338 1.979 -2.077) 2.888 2.671 ( 2.627 -0.442 1.272) 2.952 2.671 ( 2.627 0.442 1.272) 2.952 2.703 ( 4.309 -1.390 1.176) 4.678 2.703 ( 4.309 1.390 1.176) 4.678 2.772 ( 1.541 -1.024 -2.848) 3.396 2.772 ( 1.541 1.024 -2.848) 3.396 2.799 ( -0.695 -0.828 1.210) 1.622 2.799 ( -0.695 0.828 1.210) 1.622 2.833 ( 4.178 -0.991 -1.523) 4.556 2.833 ( 4.178 0.991 -1.523) 4.556 2.894 ( -4.079 -0.675 -2.917) 5.060 2.894 ( -4.079 0.675 -2.917) 5.060 3.000 ( 0.465 -2.123 0.204) 2.183 3.000 ( 0.465 2.123 0.204) 2.183 3.018 ( -1.909 -0.879 3.234) 3.857 3.018 ( -1.909 0.879 3.234) 3.857 3.151 ( 0.060 -1.029 -0.228) 1.056 3.151 ( 0.060 1.029 -0.228) 1.056 3.199 ( -2.628 -0.578 -0.477) 2.732 3.199 ( -2.628 0.578 -0.477) 2.732 3.310 ( 3.792 -0.918 3.237) 5.069 3.310 ( 3.792 0.918 3.237) 5.069 3.397 ( 2.707 -0.503 -3.252) 4.261 3.397 ( 2.707 0.503 -3.252) 4.261 3.481 ( -2.903 -0.346 -2.620) 3.926 3.481 ( -2.903 0.346 -2.620) 3.926 3.516 ( 1.181 -0.992 0.510) 1.625 3.516 ( 1.181 0.992 0.510) 1.625 3.607 ( 0.942 -0.447 -1.648) 1.951 3.607 ( 0.942 0.447 -1.648) 1.951 3.651 ( -0.840 -0.273 -2.990) 3.118 3.651 ( -0.840 0.273 -2.990) 3.118 3.697 ( -0.017 -0.316 -3.724) 3.738 3.697 ( -0.017 0.316 -3.724) 3.738 3.719 ( -0.125 -0.950 -2.837) 2.995 3.719 ( -0.125 0.950 -2.837) 2.995 3.941 ( -2.701 -0.269 1.756) 3.233 3.941 ( -2.701 0.269 1.756) 3.233 3.986 ( -2.258 -0.581 0.774) 2.457 3.986 ( -2.258 0.581 0.774) 2.457 4.005 ( -2.348 -0.437 0.772) 2.510 4.005 ( -2.348 0.437 0.772) 2.510 4.055 ( -0.187 -0.748 1.211) 1.435 4.055 ( -0.187 0.748 1.211) 1.435 4.094 ( -0.359 -0.465 0.267) 0.645 4.094 ( -0.359 0.465 0.267) 0.645 4.150 ( 1.995 -0.472 1.311) 2.433 4.150 ( 1.995 0.472 1.311) 2.433 4.211 ( -1.523 -0.256 0.290) 1.571 4.211 ( -1.523 0.256 0.290) 1.571 4.269 ( 0.018 -0.868 0.919) 1.264 4.269 ( 0.018 0.868 0.919) 1.264 4.350 ( -0.459 -0.123 1.159) 1.253 4.350 ( -0.459 0.123 1.159) 1.253 4.495 ( 3.736 -0.341 -0.494) 3.784 4.495 ( 3.736 0.341 -0.494) 3.784 4.539 ( 0.163 -0.352 -1.101) 1.167 4.539 ( 0.163 0.352 -1.101) 1.167 4.594 ( 2.676 -0.593 -1.332) 3.047 4.594 ( 2.676 0.593 -1.332) 3.047 4.725 ( 0.218 -0.559 3.001) 3.060 4.725 ( 0.218 0.559 3.001) 3.060 4.775 ( 0.318 -0.160 -1.653) 1.691 4.775 ( 0.318 0.160 -1.653) 1.691 4.901 ( -1.714 -0.851 1.914) 2.706 4.901 ( -1.714 0.851 1.914) 2.706 4.908 ( -1.554 -0.915 0.773) 1.963 4.908 ( -1.554 0.915 0.773) 1.963 5.153 ( 2.722 -0.402 0.772) 2.858 5.153 ( 2.722 0.402 0.772) 2.858 5.168 ( 1.147 -0.407 -0.022) 1.217 5.168 ( 1.147 0.407 -0.022) 1.217 5.294 ( -6.987 -0.669 -5.285) 8.786 5.294 ( -6.987 0.669 -5.285) 8.786 5.414 ( 4.239 -1.059 2.535) 5.052 5.414 ( 4.239 1.059 2.535) 5.052 5.565 ( -0.544 -0.583 0.795) 1.126 5.565 ( -0.544 0.583 0.795) 1.126 5.613 ( 0.252 -0.682 -0.724) 1.026 5.613 ( 0.252 0.682 -0.724) 1.026 5.902 ( -1.443 -0.410 0.089) 1.503 5.902 ( -1.443 0.410 0.089) 1.503 5.963 ( 0.286 -0.334 0.142) 0.462 5.963 ( 0.286 0.334 0.142) 0.462 6.521 ( -0.796 -0.500 1.710) 1.951 6.521 ( -0.796 0.500 1.710) 1.951 6.634 ( 0.817 -0.797 -2.286) 2.555 6.634 ( 0.817 0.797 -2.286) 2.555 6.732 ( -1.362 -0.768 -0.332) 1.598 6.732 ( -1.362 0.768 -0.332) 1.598 6.804 ( 2.693 -0.854 1.798) 3.349 6.804 ( 2.693 0.854 1.798) 3.349 6.885 ( -2.682 -0.868 -0.712) 2.908 6.885 ( -2.682 0.868 -0.712) 2.908 6.963 ( 1.463 -0.835 0.420) 1.737 6.963 ( 1.463 0.835 0.420) 1.737 7.011 ( 0.492 -0.805 1.051) 1.413 7.011 ( 0.492 0.805 1.051) 1.413 7.034 ( -1.087 -0.283 -1.347) 1.754 7.034 ( -1.087 0.283 -1.347) 1.754 7.146 ( 0.270 -0.148 -0.091) 0.321 7.146 ( 0.270 0.148 -0.091) 0.321 7.166 ( 0.157 -0.299 0.119) 0.358 7.166 ( 0.157 0.299 0.119) 0.358 7.248 ( -0.279 -0.174 0.380) 0.503 7.248 ( -0.279 0.174 0.380) 0.503 7.262 ( -0.115 -0.037 -0.141) 0.185 7.262 ( -0.115 0.037 -0.141) 0.185 7.421 ( -0.015 -0.149 0.277) 0.315 7.421 ( -0.015 0.149 0.277) 0.315 7.438 ( 0.052 -0.094 -0.274) 0.294 7.438 ( 0.052 0.094 -0.274) 0.294 7.645 ( -0.165 -0.114 0.454) 0.497 7.645 ( -0.165 0.114 0.454) 0.497 7.670 ( 0.106 -0.254 -0.455) 0.532 7.670 ( 0.106 0.254 -0.455) 0.532 7.727 ( -0.056 -0.016 0.025) 0.064 7.727 ( -0.056 0.016 0.025) 0.064 7.737 ( 0.252 -0.061 -0.133) 0.291 7.737 ( 0.252 0.061 -0.133) 0.291 16.598 ( -0.747 -1.164 0.184) 1.395 16.598 ( -0.747 1.164 0.184) 1.395 16.615 ( -0.144 -1.095 -0.009) 1.104 16.615 ( -0.144 1.095 -0.009) 1.104 16.885 ( 0.112 -0.489 0.643) 0.816 16.885 ( 0.112 0.489 0.643) 0.816 16.922 ( -2.010 -0.798 -1.071) 2.413 16.922 ( -2.010 0.798 -1.071) 2.413 17.075 ( -0.239 -0.694 -0.300) 0.793 17.075 ( -0.239 0.694 -0.300) 0.793 17.082 ( 0.152 -0.625 0.378) 0.746 17.082 ( 0.152 0.625 0.378) 0.746 17.318 ( 0.694 -0.388 -0.322) 0.858 17.318 ( 0.694 0.388 -0.322) 0.858 17.363 ( 1.597 -0.205 -0.019) 1.611 17.363 ( 1.597 0.205 -0.019) 1.611 17.771 ( -1.801 -0.813 0.031) 1.977 17.771 ( -1.801 0.813 0.031) 1.977 17.839 ( -0.955 -2.303 -0.032) 2.493 17.839 ( -0.955 2.303 -0.032) 2.493 18.231 ( -0.039 -0.443 2.135) 2.181 18.231 ( -0.039 0.443 2.135) 2.181 18.281 ( 0.552 -0.794 1.163) 1.513 18.281 ( 0.552 0.794 1.163) 1.513 18.317 ( -0.445 -0.390 2.035) 2.120 18.317 ( -0.445 0.390 2.035) 2.120 18.444 ( 1.813 -0.403 -2.318) 2.971 18.444 ( 1.813 0.403 -2.318) 2.971 18.651 ( -0.501 -0.711 -0.881) 1.239 18.651 ( -0.501 0.711 -0.881) 1.239 18.721 ( -0.408 -1.454 -1.521) 2.143 18.721 ( -0.408 1.454 -1.521) 2.143 18.794 ( -1.673 -1.125 -3.018) 3.629 18.794 ( -1.673 1.125 -3.018) 3.629 18.850 ( 1.467 -1.289 1.740) 2.616 18.850 ( 1.467 1.289 1.740) 2.616 19.319 ( 1.173 -0.396 3.537) 3.748 19.319 ( 1.173 0.396 3.537) 3.748 19.327 ( -1.479 -0.358 -2.039) 2.544 19.327 ( -1.479 0.358 -2.039) 2.544 19.970 ( -1.334 -0.547 -1.720) 2.244 19.970 ( -1.334 0.547 -1.720) 2.244 20.000 ( -0.228 -0.621 1.515) 1.653 20.000 ( -0.228 0.621 1.515) 1.653 20.275 ( 0.816 -0.586 2.576) 2.765 20.275 ( 0.816 0.586 2.576) 2.765 20.382 ( 0.629 -0.404 -2.639) 2.742 20.382 ( 0.629 0.404 -2.639) 2.742 ======================= Grid point 45 (22/30) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -4.372 0.000 -11.654) 12.447 0.504 ( 4.372 0.000 11.654) 12.447 0.808 ( 1.310 0.000 -16.245) 16.298 0.808 ( -1.310 0.000 16.245) 16.298 0.980 ( -5.309 0.000 -4.981) 7.280 0.980 ( 5.309 0.000 4.981) 7.280 1.068 ( 2.698 0.000 -7.364) 7.843 1.068 ( -2.698 0.000 7.364) 7.843 1.088 ( -0.920 0.000 -5.573) 5.648 1.088 ( 0.920 0.000 5.573) 5.648 1.160 ( 0.436 0.000 -8.254) 8.265 1.160 ( -0.436 0.000 8.254) 8.265 1.245 ( -5.879 0.000 -14.034) 15.215 1.245 ( 5.879 0.000 14.034) 15.215 1.358 ( -2.578 0.000 -2.107) 3.330 1.358 ( 2.578 0.000 2.107) 3.330 1.379 ( -1.837 0.000 0.310) 1.863 1.379 ( 1.837 0.000 -0.310) 1.863 1.445 ( 0.071 0.000 -1.649) 1.651 1.445 ( -0.071 0.000 1.649) 1.651 1.518 ( -2.625 0.000 0.217) 2.634 1.518 ( 2.625 0.000 -0.217) 2.634 1.573 ( -2.016 0.000 -3.992) 4.473 1.573 ( 2.016 0.000 3.992) 4.473 1.655 ( -0.174 0.000 -2.598) 2.604 1.655 ( 0.174 0.000 2.598) 2.604 1.691 ( 0.478 0.000 -1.656) 1.724 1.691 ( -0.478 0.000 1.656) 1.724 1.722 ( 3.367 0.000 -2.069) 3.952 1.722 ( -3.367 0.000 2.069) 3.952 1.779 ( 3.319 0.000 -4.924) 5.938 1.779 ( -3.319 0.000 4.924) 5.938 1.850 ( 1.560 0.000 -2.503) 2.950 1.850 ( -1.560 0.000 2.503) 2.950 1.870 ( 0.579 0.000 -1.669) 1.766 1.870 ( -0.579 0.000 1.669) 1.766 1.979 ( -2.629 0.000 -1.252) 2.912 1.979 ( 2.629 0.000 1.252) 2.912 2.041 ( 1.080 0.000 -1.885) 2.172 2.041 ( -1.080 0.000 1.885) 2.172 2.088 ( 1.223 0.000 -3.854) 4.043 2.088 ( -1.223 0.000 3.854) 4.043 2.100 ( -1.849 0.000 -1.940) 2.680 2.100 ( 1.849 0.000 1.940) 2.680 2.167 ( 1.803 0.000 -1.632) 2.432 2.167 ( -1.803 0.000 1.632) 2.432 2.215 ( -1.923 0.000 -2.513) 3.164 2.215 ( 1.923 0.000 2.513) 3.164 2.338 ( -1.262 0.000 -0.154) 1.271 2.338 ( 1.262 0.000 0.154) 1.271 2.348 ( 1.039 0.000 -1.482) 1.810 2.348 ( -1.039 0.000 1.482) 1.810 2.406 ( -3.844 0.000 -4.036) 5.573 2.406 ( 3.844 0.000 4.036) 5.573 2.508 ( 1.090 0.000 -0.961) 1.453 2.508 ( -1.090 0.000 0.961) 1.453 2.585 ( -0.769 0.000 -0.068) 0.772 2.585 ( 0.769 0.000 0.068) 0.772 2.632 ( -2.891 0.000 0.405) 2.919 2.632 ( 2.891 0.000 -0.405) 2.919 2.744 ( -2.703 0.000 0.246) 2.714 2.744 ( 2.703 0.000 -0.246) 2.714 2.751 ( 0.420 0.000 -1.482) 1.540 2.751 ( -0.420 0.000 1.482) 1.540 2.803 ( 5.241 0.000 -2.868) 5.975 2.803 ( -5.241 0.000 2.868) 5.975 2.833 ( -1.229 0.000 -1.817) 2.194 2.833 ( 1.229 0.000 1.817) 2.194 2.904 ( -1.243 0.000 -3.081) 3.322 2.904 ( 1.243 0.000 3.081) 3.322 2.978 ( 0.878 0.000 -2.145) 2.318 2.978 ( -0.878 0.000 2.145) 2.318 3.025 ( 2.567 0.000 -3.183) 4.089 3.025 ( -2.567 0.000 3.183) 4.089 3.070 ( -0.819 0.000 -0.060) 0.822 3.070 ( 0.819 0.000 0.060) 0.822 3.093 ( -6.496 0.000 -1.510) 6.669 3.093 ( 6.496 0.000 1.510) 6.669 3.190 ( -2.806 0.000 -0.056) 2.807 3.190 ( 2.806 0.000 0.056) 2.807 3.289 ( 1.689 0.000 -2.500) 3.017 3.289 ( -1.689 0.000 2.500) 3.017 3.312 ( 2.292 0.000 -1.188) 2.582 3.312 ( -2.292 0.000 1.188) 2.582 3.497 ( -3.686 0.000 -0.984) 3.815 3.497 ( 3.686 0.000 0.984) 3.815 3.531 ( -3.290 0.000 -0.906) 3.413 3.531 ( 3.290 0.000 0.906) 3.413 3.591 ( 0.345 0.000 -0.448) 0.565 3.591 ( -0.345 0.000 0.448) 0.565 3.608 ( -1.551 0.000 -0.593) 1.660 3.608 ( 1.551 0.000 0.593) 1.660 3.619 ( -0.297 0.000 -2.087) 2.108 3.619 ( 0.297 0.000 2.087) 2.108 3.654 ( -0.973 0.000 -1.037) 1.422 3.654 ( 0.973 0.000 1.037) 1.422 3.964 ( -0.582 0.000 -0.370) 0.690 3.964 ( 0.582 0.000 0.370) 0.690 3.986 ( -1.891 0.000 -0.152) 1.897 3.986 ( 1.891 0.000 0.152) 1.897 4.030 ( -0.839 0.000 -0.127) 0.849 4.030 ( 0.839 0.000 0.127) 0.849 4.052 ( -0.171 0.000 -0.893) 0.909 4.052 ( 0.171 0.000 0.893) 0.909 4.088 ( -2.450 0.000 -3.922) 4.624 4.088 ( 2.450 0.000 3.922) 4.624 4.158 ( -3.149 0.000 -3.003) 4.351 4.158 ( 3.149 0.000 3.003) 4.351 4.219 ( 0.106 0.000 -0.082) 0.134 4.219 ( -0.106 0.000 0.082) 0.134 4.272 ( -2.088 0.000 -1.411) 2.520 4.272 ( 2.088 0.000 1.411) 2.520 4.401 ( -0.152 0.000 -4.569) 4.572 4.401 ( 0.152 0.000 4.569) 4.572 4.448 ( -0.796 0.000 -4.228) 4.302 4.448 ( 0.796 0.000 4.228) 4.302 4.567 ( -3.659 0.000 -1.194) 3.849 4.567 ( 3.659 0.000 1.194) 3.849 4.616 ( -3.320 0.000 -1.057) 3.484 4.616 ( 3.320 0.000 1.057) 3.484 4.778 ( -1.317 0.000 0.348) 1.362 4.778 ( 1.317 0.000 -0.348) 1.362 4.793 ( -2.546 0.000 0.527) 2.600 4.793 ( 2.546 0.000 -0.527) 2.600 4.850 ( -1.062 0.000 -0.558) 1.200 4.850 ( 1.062 0.000 0.558) 1.200 4.891 ( -1.879 0.000 -0.891) 2.079 4.891 ( 1.879 0.000 0.891) 2.079 5.113 ( -1.194 0.000 0.247) 1.220 5.113 ( 1.194 0.000 -0.247) 1.220 5.141 ( 0.410 0.000 -0.719) 0.828 5.141 ( -0.410 0.000 0.719) 0.828 5.374 ( -7.815 0.000 -2.776) 8.293 5.374 ( 7.815 0.000 2.776) 8.293 5.398 ( -5.781 0.000 -2.945) 6.488 5.398 ( 5.781 0.000 2.945) 6.488 5.556 ( -0.618 0.000 -1.334) 1.470 5.556 ( 0.618 0.000 1.334) 1.470 5.608 ( 0.317 0.000 -1.212) 1.253 5.608 ( -0.317 0.000 1.212) 1.253 5.900 ( -1.493 0.000 -0.001) 1.493 5.900 ( 1.493 0.000 0.001) 1.493 5.958 ( -2.360 0.000 -0.393) 2.392 5.958 ( 2.360 0.000 0.393) 2.392 6.556 ( 0.143 0.000 -2.801) 2.804 6.556 ( -0.143 0.000 2.801) 2.804 6.593 ( 0.409 0.000 -3.327) 3.352 6.593 ( -0.409 0.000 3.327) 3.352 6.733 ( -2.281 0.000 -1.626) 2.801 6.733 ( 2.281 0.000 1.626) 2.801 6.808 ( -2.918 0.000 -1.665) 3.360 6.808 ( 2.918 0.000 1.665) 3.360 6.892 ( -1.554 0.000 -2.090) 2.604 6.892 ( 1.554 0.000 2.090) 2.604 6.948 ( -2.440 0.000 -1.925) 3.108 6.948 ( 2.440 0.000 1.925) 3.108 7.007 ( 1.013 0.000 -0.994) 1.419 7.007 ( -1.013 0.000 0.994) 1.419 7.046 ( -1.365 0.000 0.090) 1.368 7.046 ( 1.365 0.000 -0.090) 1.368 7.164 ( 0.063 0.000 -0.735) 0.738 7.164 ( -0.063 0.000 0.735) 0.738 7.174 ( 0.234 0.000 -0.608) 0.651 7.174 ( -0.234 0.000 0.608) 0.651 7.245 ( -0.034 0.000 -0.363) 0.364 7.245 ( 0.034 0.000 0.363) 0.364 7.254 ( 0.197 0.000 -0.126) 0.234 7.254 ( -0.197 0.000 0.126) 0.234 7.427 ( 0.229 0.000 -0.436) 0.492 7.427 ( -0.229 0.000 0.436) 0.492 7.433 ( 0.008 0.000 -0.390) 0.390 7.433 ( -0.008 0.000 0.390) 0.390 7.653 ( 0.250 0.000 -0.589) 0.640 7.653 ( -0.250 0.000 0.589) 0.640 7.664 ( 0.082 0.000 -0.766) 0.770 7.664 ( -0.082 0.000 0.766) 0.770 7.730 ( -0.065 0.000 -0.280) 0.288 7.730 ( 0.065 0.000 0.280) 0.288 7.734 ( -0.148 0.000 -0.315) 0.348 7.734 ( 0.148 0.000 0.315) 0.348 16.573 ( 0.126 0.000 -0.299) 0.325 16.573 ( -0.126 0.000 0.299) 0.325 16.626 ( 0.001 0.000 -0.460) 0.460 16.626 ( -0.001 0.000 0.460) 0.460 16.882 ( 0.154 0.000 -0.428) 0.455 16.882 ( -0.154 0.000 0.428) 0.455 16.912 ( -1.895 0.000 0.525) 1.966 16.912 ( 1.895 0.000 -0.525) 1.966 17.068 ( 0.214 0.000 -0.332) 0.395 17.068 ( -0.214 0.000 0.332) 0.395 17.111 ( -0.681 0.000 -0.382) 0.780 17.111 ( 0.681 0.000 0.382) 0.780 17.335 ( -0.165 0.000 -0.043) 0.170 17.335 ( 0.165 0.000 0.043) 0.170 17.372 ( -2.426 0.000 -0.357) 2.452 17.372 ( 2.426 0.000 0.357) 2.452 17.723 ( -0.753 0.000 -0.019) 0.753 17.723 ( 0.753 0.000 0.019) 0.753 17.856 ( -2.017 0.000 -2.833) 3.478 17.856 ( 2.017 0.000 2.833) 3.478 18.255 ( -2.483 0.000 -0.315) 2.503 18.255 ( 2.483 0.000 0.315) 2.503 18.286 ( -3.096 0.000 -1.076) 3.278 18.286 ( 3.096 0.000 1.076) 3.278 18.395 ( 0.549 0.000 -3.699) 3.739 18.395 ( -0.549 0.000 3.699) 3.739 18.431 ( 2.399 0.000 -5.063) 5.602 18.431 ( -2.399 0.000 5.063) 5.602 18.619 ( 0.457 0.000 -1.004) 1.103 18.619 ( -0.457 0.000 1.004) 1.103 18.639 ( -0.076 0.000 -1.183) 1.185 18.639 ( 0.076 0.000 1.183) 1.185 18.806 ( -2.690 0.000 -0.590) 2.754 18.806 ( 2.690 0.000 0.590) 2.754 18.879 ( -4.759 0.000 -0.858) 4.836 18.879 ( 4.759 0.000 0.858) 4.836 19.318 ( -4.171 0.000 0.483) 4.199 19.318 ( 4.171 0.000 -0.483) 4.199 19.324 ( -3.793 0.000 0.838) 3.884 19.324 ( 3.793 0.000 -0.838) 3.884 19.966 ( -3.035 0.000 -0.126) 3.038 19.966 ( 3.035 0.000 0.126) 3.038 20.001 ( -3.289 0.000 0.333) 3.306 20.001 ( 3.289 0.000 -0.333) 3.306 20.308 ( 2.380 0.000 -3.625) 4.336 20.308 ( -2.380 0.000 3.625) 4.336 20.336 ( 1.835 0.000 -3.587) 4.029 20.336 ( -1.835 0.000 3.587) 4.029 ======================= Grid point 47 (23/30) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 7.169 0.000 -10.554) 12.758 0.705 ( 8.855 0.000 0.246) 8.858 0.764 ( 2.601 0.000 -4.142) 4.891 0.851 ( -6.480 0.000 -4.226) 7.736 0.903 ( 1.759 0.000 9.073) 9.242 0.972 ( -5.182 0.000 4.655) 6.966 0.972 ( 2.064 0.000 -11.048) 11.239 1.057 ( 0.865 0.000 4.106) 4.196 1.116 ( 0.167 0.000 -7.257) 7.259 1.151 ( 2.560 0.000 1.885) 3.179 1.164 ( 10.065 0.000 -12.001) 15.663 1.181 ( 2.172 0.000 -2.595) 3.384 1.183 ( -1.260 0.000 4.685) 4.852 1.298 ( -3.359 0.000 1.363) 3.625 1.336 ( -1.600 0.000 -1.374) 2.109 1.347 ( 0.167 0.000 -3.628) 3.632 1.405 ( -1.169 0.000 4.615) 4.761 1.427 ( 1.707 0.000 -0.193) 1.717 1.442 ( -1.761 0.000 -1.468) 2.292 1.460 ( -1.189 0.000 1.056) 1.590 1.480 ( 1.938 0.000 -0.228) 1.951 1.495 ( -2.821 0.000 0.952) 2.977 1.538 ( -1.759 0.000 -2.994) 3.473 1.588 ( -0.515 0.000 -1.668) 1.745 1.624 ( 0.928 0.000 0.759) 1.199 1.630 ( 3.096 0.000 -1.302) 3.358 1.660 ( -3.665 0.000 2.927) 4.691 1.743 ( -0.993 0.000 4.597) 4.703 1.758 ( -0.098 0.000 4.216) 4.217 1.774 ( 1.331 0.000 -3.458) 3.705 1.816 ( 0.370 0.000 4.905) 4.919 1.817 ( -0.043 0.000 1.460) 1.461 1.839 ( -0.470 0.000 0.150) 0.493 1.844 ( 2.953 0.000 5.182) 5.964 1.875 ( 0.161 0.000 -0.498) 0.524 1.934 ( -0.846 0.000 1.515) 1.735 1.936 ( 4.503 0.000 -1.538) 4.759 2.005 ( -2.291 0.000 0.784) 2.422 2.025 ( -1.522 0.000 2.818) 3.203 2.035 ( 4.413 0.000 2.520) 5.082 2.106 ( -0.682 0.000 0.838) 1.080 2.111 ( 2.384 0.000 -0.879) 2.540 2.154 ( 2.774 0.000 1.626) 3.216 2.165 ( -3.294 0.000 -0.441) 3.323 2.179 ( 3.941 0.000 0.390) 3.960 2.191 ( 5.675 0.000 0.510) 5.698 2.218 ( 2.608 0.000 -1.450) 2.984 2.284 ( -2.148 0.000 -1.952) 2.902 2.323 ( -1.013 0.000 -4.325) 4.442 2.338 ( 6.450 0.000 4.589) 7.916 2.360 ( -0.340 0.000 -1.409) 1.449 2.392 ( 3.507 0.000 -0.550) 3.550 2.418 ( 4.922 0.000 4.689) 6.798 2.473 ( -3.625 0.000 0.253) 3.634 2.482 ( -1.826 0.000 -0.382) 1.866 2.500 ( 0.371 0.000 0.010) 0.371 2.556 ( -4.135 0.000 0.149) 4.137 2.580 ( 0.778 0.000 1.581) 1.762 2.605 ( -2.587 0.000 2.173) 3.378 2.621 ( -1.634 0.000 1.405) 2.155 2.639 ( -2.069 0.000 -1.190) 2.387 2.675 ( -3.276 0.000 2.364) 4.040 2.688 ( -3.884 0.000 -1.833) 4.295 2.736 ( -3.124 0.000 -1.633) 3.525 2.746 ( -1.525 0.000 0.743) 1.697 2.781 ( -5.253 0.000 -1.790) 5.550 2.818 ( -2.485 0.000 -1.636) 2.975 2.831 ( -3.808 0.000 -6.838) 7.827 2.832 ( -1.655 0.000 0.852) 1.862 2.854 ( 0.162 0.000 -3.080) 3.084 2.886 ( -6.160 0.000 -0.620) 6.191 2.896 ( -3.482 0.000 -3.859) 5.198 2.938 ( -0.807 0.000 -1.842) 2.011 3.056 ( -0.224 0.000 3.530) 3.537 3.060 ( 3.192 0.000 -3.217) 4.532 3.120 ( 1.633 0.000 -3.080) 3.486 3.134 ( 1.495 0.000 2.625) 3.021 3.136 ( -3.047 0.000 -0.237) 3.056 3.147 ( -0.416 0.000 1.278) 1.344 3.251 ( 2.991 0.000 -1.816) 3.500 3.278 ( -1.859 0.000 4.143) 4.541 3.308 ( 0.689 0.000 1.739) 1.870 3.332 ( 1.467 0.000 -0.297) 1.497 3.385 ( -4.514 0.000 0.830) 4.590 3.424 ( -1.955 0.000 0.079) 1.956 3.435 ( 4.159 0.000 1.802) 4.532 3.524 ( -0.853 0.000 -1.471) 1.701 3.561 ( 1.307 0.000 -2.114) 2.485 3.583 ( -0.335 0.000 1.957) 1.986 3.602 ( 0.956 0.000 0.995) 1.380 3.613 ( -0.513 0.000 2.744) 2.792 3.622 ( 0.696 0.000 -1.020) 1.235 3.629 ( 0.430 0.000 -1.662) 1.717 3.659 ( 2.543 0.000 -0.400) 2.574 3.672 ( 2.032 0.000 -0.262) 2.049 3.693 ( 1.244 0.000 1.088) 1.653 3.952 ( 1.339 0.000 0.112) 1.344 3.966 ( 0.217 0.000 -0.615) 0.653 4.003 ( 2.074 0.000 0.148) 2.079 4.019 ( 0.106 0.000 -0.442) 0.454 4.021 ( 0.716 0.000 -1.571) 1.726 4.032 ( 1.064 0.000 -1.388) 1.749 4.065 ( 1.857 0.000 0.510) 1.926 4.072 ( 1.963 0.000 0.021) 1.963 4.085 ( -0.608 0.000 -0.037) 0.609 4.104 ( 0.751 0.000 -0.656) 0.997 4.137 ( -0.358 0.000 3.053) 3.074 4.172 ( -2.176 0.000 -0.213) 2.187 4.226 ( 0.290 0.000 -0.193) 0.348 4.236 ( 0.750 0.000 -0.895) 1.168 4.242 ( 1.527 0.000 0.631) 1.652 4.292 ( -0.532 0.000 0.249) 0.587 4.378 ( 0.439 0.000 -3.257) 3.287 4.401 ( -1.323 0.000 -3.578) 3.815 4.414 ( -0.887 0.000 5.109) 5.186 4.458 ( -2.317 0.000 3.670) 4.340 4.529 ( -0.267 0.000 0.060) 0.274 4.553 ( -2.119 0.000 -0.795) 2.263 4.591 ( -2.597 0.000 -1.515) 3.007 4.629 ( -3.019 0.000 -3.258) 4.442 4.747 ( -1.987 0.000 1.276) 2.362 4.757 ( -0.416 0.000 0.065) 0.421 4.780 ( -0.610 0.000 -2.789) 2.855 4.810 ( -0.824 0.000 -1.845) 2.021 4.868 ( 2.596 0.000 1.478) 2.987 4.885 ( 1.540 0.000 0.707) 1.695 4.924 ( 3.729 0.000 1.735) 4.113 4.941 ( 2.032 0.000 0.375) 2.066 5.114 ( 0.448 0.000 2.024) 2.073 5.140 ( -0.286 0.000 1.604) 1.630 5.151 ( 0.222 0.000 3.507) 3.514 5.176 ( 2.728 0.000 3.139) 4.159 5.227 ( -2.192 0.000 -2.531) 3.348 5.269 ( -1.933 0.000 -2.701) 3.322 5.430 ( -2.260 0.000 -1.912) 2.960 5.476 ( 0.476 0.000 -1.016) 1.123 5.569 ( 2.072 0.000 -0.429) 2.116 5.572 ( 0.140 0.000 1.105) 1.114 5.599 ( -0.692 0.000 -1.153) 1.345 5.606 ( -0.384 0.000 1.284) 1.341 5.889 ( 0.358 0.000 0.561) 0.666 5.929 ( 0.909 0.000 -0.979) 1.336 5.934 ( 0.124 0.000 0.633) 0.645 5.994 ( 0.407 0.000 -1.041) 1.118 6.547 ( 0.485 0.000 -2.474) 2.521 6.560 ( -0.800 0.000 2.574) 2.696 6.587 ( 0.652 0.000 -2.822) 2.896 6.599 ( -0.652 0.000 3.137) 3.204 6.708 ( 0.647 0.000 -0.215) 0.682 6.764 ( -0.584 0.000 -0.322) 0.667 6.773 ( 0.065 0.000 0.529) 0.532 6.848 ( -1.124 0.000 -0.337) 1.173 6.879 ( 0.600 0.000 0.113) 0.611 6.903 ( 1.219 0.000 -1.014) 1.586 6.926 ( 0.445 0.000 0.940) 1.040 6.980 ( -0.255 0.000 1.618) 1.638 7.011 ( -1.608 0.000 0.112) 1.612 7.012 ( 1.140 0.000 1.090) 1.577 7.014 ( 0.203 0.000 -1.711) 1.723 7.060 ( 0.218 0.000 -0.940) 0.965 7.150 ( -0.722 0.000 -0.749) 1.041 7.151 ( -0.926 0.000 -0.185) 0.945 7.170 ( -0.339 0.000 0.357) 0.492 7.171 ( -0.137 0.000 -0.754) 0.766 7.250 ( 0.457 0.000 -0.131) 0.475 7.254 ( 0.429 0.000 0.648) 0.777 7.255 ( 0.114 0.000 0.397) 0.413 7.260 ( 0.347 0.000 -0.080) 0.356 7.425 ( -0.188 0.000 0.499) 0.534 7.428 ( 0.037 0.000 -0.531) 0.532 7.432 ( 0.111 0.000 -0.323) 0.341 7.433 ( -0.097 0.000 0.281) 0.297 7.651 ( -0.170 0.000 0.545) 0.571 7.654 ( 0.142 0.000 -0.680) 0.694 7.662 ( 0.141 0.000 -0.782) 0.794 7.665 ( -0.207 0.000 0.633) 0.666 7.728 ( -0.014 0.000 -0.153) 0.154 7.729 ( -0.043 0.000 -0.193) 0.198 7.731 ( -0.103 0.000 0.219) 0.241 7.735 ( -0.149 0.000 0.205) 0.253 16.574 ( 0.060 0.000 0.374) 0.379 16.576 ( 0.275 0.000 -0.131) 0.305 16.641 ( 0.886 0.000 0.305) 0.937 16.643 ( 1.043 0.000 0.625) 1.216 16.884 ( 0.169 0.000 0.887) 0.903 16.887 ( 0.637 0.000 -0.725) 0.966 16.904 ( 1.138 0.000 1.224) 1.672 16.940 ( 1.141 0.000 -1.753) 2.092 17.059 ( -0.444 0.000 -0.542) 0.700 17.068 ( 0.023 0.000 -0.285) 0.286 17.097 ( -0.253 0.000 -0.885) 0.921 17.120 ( 0.060 0.000 -0.910) 0.912 17.305 ( -1.964 0.000 -0.560) 2.043 17.318 ( -1.270 0.000 0.078) 1.272 17.342 ( -0.395 0.000 0.963) 1.041 17.385 ( -1.057 0.000 -0.595) 1.213 17.756 ( 3.677 0.000 0.054) 3.678 17.765 ( 2.582 0.000 -0.166) 2.588 17.818 ( -0.674 0.000 -1.824) 1.945 17.893 ( -0.439 0.000 1.335) 1.405 18.218 ( 0.072 0.000 2.093) 2.094 18.236 ( -1.241 0.000 0.996) 1.592 18.274 ( -0.543 0.000 0.303) 0.622 18.333 ( 0.372 0.000 2.806) 2.831 18.379 ( -0.074 0.000 -4.503) 4.503 18.391 ( -1.456 0.000 1.221) 1.900 18.406 ( -2.584 0.000 1.260) 2.875 18.436 ( -0.327 0.000 -4.669) 4.681 18.623 ( 1.038 0.000 -0.029) 1.039 18.635 ( 1.590 0.000 0.992) 1.874 18.659 ( 2.014 0.000 0.350) 2.044 18.660 ( 0.899 0.000 3.452) 3.567 18.788 ( 1.449 0.000 0.189) 1.461 18.796 ( -2.469 0.000 -0.638) 2.550 18.841 ( -0.192 0.000 -1.523) 1.536 18.940 ( 0.250 0.000 -1.958) 1.974 19.265 ( -0.576 0.000 2.716) 2.777 19.285 ( -0.048 0.000 2.980) 2.981 19.365 ( 0.439 0.000 -1.762) 1.816 19.380 ( 1.112 0.000 -1.312) 1.719 19.935 ( 0.756 0.000 0.215) 0.786 19.964 ( -0.105 0.000 0.447) 0.460 20.014 ( 1.251 0.000 -1.097) 1.664 20.052 ( 0.647 0.000 -0.754) 0.993 20.282 ( -1.251 0.000 4.449) 4.621 20.318 ( -1.538 0.000 4.053) 4.335 20.323 ( 0.838 0.000 -3.516) 3.614 20.344 ( 0.440 0.000 -3.439) 3.467 ======================= Grid point 48 (24/30) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 11.054 0.000 -6.824) 12.991 0.633 ( -11.054 0.000 6.824) 12.991 0.804 ( 7.064 0.000 -9.214) 11.610 0.804 ( -7.064 0.000 9.214) 11.610 0.984 ( -8.917 0.000 -2.697) 9.316 0.984 ( 8.917 0.000 2.697) 9.316 1.063 ( 4.630 0.000 -1.737) 4.945 1.063 ( -4.630 0.000 1.737) 4.945 1.123 ( 3.294 0.000 -4.852) 5.864 1.123 ( -3.294 0.000 4.852) 5.864 1.157 ( -1.195 0.000 -4.397) 4.557 1.157 ( 1.195 0.000 4.397) 4.557 1.280 ( -1.362 0.000 -4.182) 4.398 1.280 ( 1.362 0.000 4.182) 4.398 1.334 ( 1.582 0.000 -5.157) 5.394 1.334 ( -1.582 0.000 5.157) 5.394 1.378 ( -2.807 0.000 -0.493) 2.850 1.378 ( 2.807 0.000 0.493) 2.850 1.454 ( -1.612 0.000 -2.669) 3.118 1.454 ( 1.612 0.000 2.669) 3.118 1.490 ( 1.735 0.000 -1.972) 2.627 1.490 ( -1.735 0.000 1.972) 2.627 1.576 ( -7.669 0.000 -2.393) 8.033 1.576 ( 7.669 0.000 2.393) 8.033 1.591 ( -1.374 0.000 -1.574) 2.090 1.591 ( 1.374 0.000 1.574) 2.090 1.675 ( 1.449 0.000 -4.470) 4.699 1.675 ( -1.449 0.000 4.470) 4.699 1.779 ( -0.858 0.000 -3.939) 4.031 1.779 ( 0.858 0.000 3.939) 4.031 1.823 ( -1.906 0.000 -0.329) 1.935 1.823 ( 1.906 0.000 0.329) 1.935 1.857 ( 2.036 0.000 -2.009) 2.860 1.857 ( -2.036 0.000 2.009) 2.860 1.913 ( -3.388 0.000 -2.600) 4.270 1.913 ( 3.388 0.000 2.600) 4.270 1.999 ( -3.644 0.000 -3.642) 5.152 1.999 ( 3.644 0.000 3.642) 5.152 2.061 ( -2.803 0.000 -1.540) 3.198 2.061 ( 2.803 0.000 1.540) 3.198 2.094 ( -3.251 0.000 0.828) 3.354 2.094 ( 3.251 0.000 -0.828) 3.354 2.151 ( -3.190 0.000 0.846) 3.300 2.151 ( 3.190 0.000 -0.846) 3.300 2.229 ( -3.493 0.000 -3.018) 4.617 2.229 ( 3.493 0.000 3.018) 4.617 2.301 ( -2.746 0.000 0.028) 2.746 2.301 ( 2.746 0.000 -0.028) 2.746 2.347 ( -5.051 0.000 0.999) 5.149 2.347 ( 5.051 0.000 -0.999) 5.149 2.359 ( -7.399 0.000 -0.665) 7.429 2.359 ( 7.399 0.000 0.665) 7.429 2.443 ( -0.481 0.000 -1.597) 1.668 2.443 ( 0.481 0.000 1.597) 1.668 2.476 ( -3.332 0.000 -1.558) 3.679 2.476 ( 3.332 0.000 1.558) 3.679 2.571 ( -0.428 0.000 -2.539) 2.575 2.571 ( 0.428 0.000 2.539) 2.575 2.583 ( -3.059 0.000 -3.116) 4.367 2.583 ( 3.059 0.000 3.116) 4.367 2.656 ( -0.247 0.000 -1.696) 1.714 2.656 ( 0.247 0.000 1.696) 1.714 2.681 ( -0.616 0.000 -1.128) 1.285 2.681 ( 0.616 0.000 1.128) 1.285 2.723 ( -0.511 0.000 -1.177) 1.283 2.723 ( 0.511 0.000 1.177) 1.283 2.789 ( -4.132 0.000 -1.209) 4.305 2.789 ( 4.132 0.000 1.209) 4.305 2.799 ( -1.169 0.000 -7.444) 7.535 2.799 ( 1.169 0.000 7.444) 7.535 2.849 ( 1.704 0.000 -3.269) 3.686 2.849 ( -1.704 0.000 3.269) 3.686 3.008 ( -6.494 0.000 -1.547) 6.676 3.008 ( 6.494 0.000 1.547) 6.676 3.094 ( -0.812 0.000 -4.028) 4.109 3.094 ( 0.812 0.000 4.028) 4.109 3.126 ( 0.832 0.000 -1.775) 1.961 3.126 ( -0.832 0.000 1.775) 1.961 3.211 ( -3.055 0.000 -6.219) 6.929 3.211 ( 3.055 0.000 6.219) 6.929 3.280 ( -1.625 0.000 -1.770) 2.403 3.280 ( 1.625 0.000 1.770) 2.403 3.334 ( -0.978 0.000 -1.498) 1.789 3.334 ( 0.978 0.000 1.498) 1.789 3.465 ( -3.251 0.000 -4.230) 5.335 3.465 ( 3.251 0.000 4.230) 5.335 3.546 ( -2.190 0.000 -2.901) 3.635 3.546 ( 2.190 0.000 2.901) 3.635 3.605 ( 0.594 0.000 -3.210) 3.265 3.605 ( -0.594 0.000 3.210) 3.265 3.610 ( -0.826 0.000 -2.006) 2.170 3.610 ( 0.826 0.000 2.006) 2.170 3.657 ( -1.845 0.000 -1.665) 2.485 3.657 ( 1.845 0.000 1.665) 2.485 3.701 ( 0.733 0.000 -0.457) 0.864 3.701 ( -0.733 0.000 0.457) 0.864 3.999 ( -1.683 0.000 -0.038) 1.684 3.999 ( 1.683 0.000 0.038) 1.684 4.008 ( -2.334 0.000 -0.617) 2.415 4.008 ( 2.334 0.000 0.617) 2.415 4.055 ( -1.318 0.000 -0.858) 1.572 4.055 ( 1.318 0.000 0.858) 1.572 4.085 ( -3.180 0.000 -0.488) 3.217 4.085 ( 3.180 0.000 0.488) 3.217 4.101 ( -0.545 0.000 0.024) 0.546 4.101 ( 0.545 0.000 -0.024) 0.546 4.116 ( -3.517 0.000 0.337) 3.533 4.116 ( 3.517 0.000 -0.337) 3.533 4.246 ( -1.160 0.000 -0.273) 1.192 4.246 ( 1.160 0.000 0.273) 1.192 4.274 ( -1.497 0.000 0.169) 1.507 4.274 ( 1.497 0.000 -0.169) 1.507 4.388 ( 3.415 0.000 -2.374) 4.159 4.388 ( -3.415 0.000 2.374) 4.159 4.412 ( 2.416 0.000 -2.067) 3.180 4.412 ( -2.416 0.000 2.067) 3.180 4.527 ( -1.206 0.000 -1.174) 1.683 4.527 ( 1.206 0.000 1.174) 1.683 4.549 ( -1.678 0.000 -0.572) 1.773 4.549 ( 1.678 0.000 0.572) 1.773 4.747 ( -0.852 0.000 -2.635) 2.769 4.747 ( 0.852 0.000 2.635) 2.769 4.769 ( -1.396 0.000 -1.467) 2.025 4.769 ( 1.396 0.000 1.467) 2.025 4.903 ( -0.150 0.000 -0.093) 0.177 4.903 ( 0.150 0.000 0.093) 0.177 4.962 ( 0.061 0.000 -0.617) 0.620 4.962 ( -0.061 0.000 0.617) 0.620 5.142 ( -1.110 0.000 -2.052) 2.333 5.142 ( 1.110 0.000 2.052) 2.333 5.148 ( -0.858 0.000 -1.057) 1.361 5.148 ( 0.858 0.000 1.057) 1.361 5.323 ( -6.225 0.000 -4.412) 7.630 5.323 ( 6.225 0.000 4.412) 7.630 5.389 ( -7.260 0.000 -4.715) 8.657 5.389 ( 7.260 0.000 4.715) 8.657 5.577 ( -0.042 0.000 -1.080) 1.080 5.577 ( 0.042 0.000 1.080) 1.080 5.601 ( 0.816 0.000 -0.933) 1.240 5.601 ( -0.816 0.000 0.933) 1.240 5.915 ( -1.298 0.000 -1.542) 2.015 5.915 ( 1.298 0.000 1.542) 2.015 5.964 ( -1.855 0.000 -1.990) 2.720 5.964 ( 1.855 0.000 1.990) 2.720 6.552 ( 1.042 0.000 -2.349) 2.569 6.552 ( -1.042 0.000 2.349) 2.569 6.594 ( 1.158 0.000 -2.587) 2.835 6.594 ( -1.158 0.000 2.587) 2.835 6.745 ( -2.065 0.000 -0.875) 2.243 6.745 ( 2.065 0.000 0.875) 2.243 6.789 ( -2.809 0.000 -1.088) 3.012 6.789 ( 2.809 0.000 1.088) 3.012 6.908 ( -1.831 0.000 -0.259) 1.849 6.908 ( 1.831 0.000 0.259) 1.849 6.957 ( -2.608 0.000 -0.781) 2.722 6.957 ( 2.608 0.000 0.781) 2.722 7.001 ( -0.453 0.000 -2.200) 2.247 7.001 ( 0.453 0.000 2.200) 2.247 7.047 ( -0.950 0.000 -1.473) 1.753 7.047 ( 0.950 0.000 1.473) 1.753 7.140 ( 0.019 0.000 -0.021) 0.028 7.140 ( -0.019 0.000 0.021) 0.028 7.167 ( 0.111 0.000 -0.430) 0.444 7.167 ( -0.111 0.000 0.430) 0.444 7.256 ( 0.209 0.000 -0.343) 0.402 7.256 ( -0.209 0.000 0.343) 0.402 7.262 ( -0.030 0.000 -0.396) 0.397 7.262 ( 0.030 0.000 0.396) 0.397 7.426 ( 0.029 0.000 -0.583) 0.583 7.426 ( -0.029 0.000 0.583) 0.583 7.433 ( 0.094 0.000 -0.240) 0.258 7.433 ( -0.094 0.000 0.240) 0.258 7.652 ( 0.034 0.000 -0.650) 0.651 7.652 ( -0.034 0.000 0.650) 0.651 7.663 ( 0.255 0.000 -0.653) 0.701 7.663 ( -0.255 0.000 0.653) 0.701 7.729 ( 0.158 0.000 -0.093) 0.183 7.729 ( -0.158 0.000 0.093) 0.183 7.731 ( 0.236 0.000 -0.091) 0.253 7.731 ( -0.236 0.000 0.091) 0.253 16.577 ( -0.081 0.000 -0.249) 0.262 16.577 ( 0.081 0.000 0.249) 0.262 16.653 ( 0.180 0.000 -0.208) 0.275 16.653 ( -0.180 0.000 0.208) 0.275 16.892 ( 0.132 0.000 -1.219) 1.226 16.892 ( -0.132 0.000 1.219) 1.226 16.938 ( -0.361 0.000 -2.671) 2.695 16.938 ( 0.361 0.000 2.671) 2.695 17.060 ( -0.630 0.000 -0.230) 0.670 17.060 ( 0.630 0.000 0.230) 0.670 17.104 ( -0.912 0.000 -0.689) 1.143 17.104 ( 0.912 0.000 0.689) 1.143 17.295 ( -0.794 0.000 0.037) 0.795 17.295 ( 0.794 0.000 -0.037) 0.795 17.352 ( -1.085 0.000 -1.095) 1.541 17.352 ( 1.085 0.000 1.095) 1.541 17.800 ( -0.974 0.000 -0.195) 0.994 17.800 ( 0.974 0.000 0.195) 0.994 17.841 ( -4.294 0.000 -0.115) 4.296 17.841 ( 4.294 0.000 0.115) 4.296 18.250 ( -1.315 0.000 -1.500) 1.995 18.250 ( 1.315 0.000 1.500) 1.995 18.289 ( -4.390 0.000 -3.728) 5.760 18.289 ( 4.390 0.000 3.728) 5.760 18.365 ( 0.989 0.000 -3.791) 3.918 18.365 ( -0.989 0.000 3.791) 3.918 18.394 ( -0.810 0.000 -3.826) 3.910 18.394 ( 0.810 0.000 3.826) 3.910 18.645 ( 0.993 0.000 -1.143) 1.514 18.645 ( -0.993 0.000 1.143) 1.514 18.699 ( 1.139 0.000 -1.651) 2.006 18.699 ( -1.139 0.000 1.651) 2.006 18.784 ( -3.001 0.000 -1.358) 3.294 18.784 ( 3.001 0.000 1.358) 3.294 18.872 ( -4.527 0.000 -3.246) 5.571 18.872 ( 4.527 0.000 3.246) 5.571 19.318 ( -3.029 0.000 -3.695) 4.778 19.318 ( 3.029 0.000 3.695) 4.778 19.343 ( -2.967 0.000 -3.370) 4.490 19.343 ( 2.967 0.000 3.370) 4.490 19.995 ( -1.942 0.000 -1.426) 2.409 19.995 ( 1.942 0.000 1.426) 2.409 19.998 ( -4.297 0.000 -1.217) 4.466 19.998 ( 4.297 0.000 1.217) 4.466 20.307 ( -0.593 0.000 -4.332) 4.372 20.307 ( 0.593 0.000 4.332) 4.372 20.324 ( -0.212 0.000 -3.781) 3.787 20.324 ( 0.212 0.000 3.781) 3.787 ======================= Grid point 51 (25/30) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -4.734 9.635 -7.848) 13.297 0.634 ( 4.734 9.635 7.848) 13.297 0.858 ( 0.939 3.832 -13.014) 13.599 0.858 ( -0.939 3.832 13.014) 13.599 0.979 ( -4.167 -0.450 -2.021) 4.653 0.979 ( 4.167 -0.450 2.021) 4.653 1.014 ( 0.542 -3.899 -2.672) 4.758 1.014 ( -0.542 -3.899 2.672) 4.758 1.108 ( -0.869 0.373 -1.917) 2.137 1.108 ( 0.869 0.373 1.917) 2.137 1.152 ( -2.891 0.687 -0.291) 2.985 1.152 ( 2.891 0.687 0.291) 2.985 1.247 ( -4.726 -1.009 -4.132) 6.358 1.247 ( 4.726 -1.009 4.132) 6.358 1.337 ( -1.993 0.170 -0.990) 2.232 1.337 ( 1.993 0.170 0.990) 2.232 1.377 ( -1.258 -2.613 -1.487) 3.259 1.377 ( 1.258 -2.613 1.487) 3.259 1.427 ( 0.256 -0.263 -1.222) 1.276 1.427 ( -0.256 -0.263 1.222) 1.276 1.524 ( -2.143 0.911 -2.060) 3.110 1.524 ( 2.143 0.911 2.060) 3.110 1.588 ( -0.310 0.498 -3.745) 3.790 1.588 ( 0.310 0.498 3.745) 3.790 1.645 ( -4.817 -0.760 -1.883) 5.228 1.645 ( 4.817 -0.760 1.883) 5.228 1.672 ( -3.175 -0.894 -5.001) 5.991 1.672 ( 3.175 -0.894 5.001) 5.991 1.703 ( 2.613 -1.490 -2.592) 3.970 1.703 ( -2.613 -1.490 2.592) 3.970 1.801 ( 1.552 1.247 -4.147) 4.600 1.801 ( -1.552 1.247 4.147) 4.600 1.850 ( 1.311 -0.211 -3.636) 3.871 1.850 ( -1.311 -0.211 3.636) 3.871 1.868 ( 0.225 -0.110 -2.174) 2.188 1.868 ( -0.225 -0.110 2.174) 2.188 1.968 ( -0.100 -0.567 -1.516) 1.622 1.968 ( 0.100 -0.567 1.516) 1.622 2.010 ( -1.735 -2.122 -1.374) 3.067 2.010 ( 1.735 -2.122 1.374) 3.067 2.103 ( -0.493 0.957 -0.476) 1.177 2.103 ( 0.493 0.957 0.476) 1.177 2.121 ( -0.817 2.272 -1.366) 2.774 2.121 ( 0.817 2.272 1.366) 2.774 2.168 ( 1.399 -0.221 -1.110) 1.799 2.168 ( -1.399 -0.221 1.110) 1.799 2.238 ( 1.235 1.283 -2.965) 3.459 2.238 ( -1.235 1.283 2.965) 3.459 2.328 ( 0.154 -1.381 -2.407) 2.779 2.328 ( -0.154 -1.381 2.407) 2.779 2.362 ( -0.702 0.925 -2.024) 2.334 2.362 ( 0.702 0.925 2.024) 2.334 2.413 ( -3.281 1.258 -3.504) 4.962 2.413 ( 3.281 1.258 3.504) 4.962 2.510 ( 0.295 0.172 -0.973) 1.031 2.510 ( -0.295 0.172 0.973) 1.031 2.556 ( 1.096 -1.739 -1.187) 2.374 2.556 ( -1.096 -1.739 1.187) 2.374 2.643 ( -2.453 -0.309 -0.665) 2.560 2.643 ( 2.453 -0.309 0.665) 2.560 2.725 ( -2.301 -1.309 -1.335) 2.965 2.725 ( 2.301 -1.309 1.335) 2.965 2.754 ( -0.920 0.842 -1.444) 1.908 2.754 ( 0.920 0.842 1.444) 1.908 2.805 ( 0.927 -0.002 -1.960) 2.168 2.805 ( -0.927 -0.002 1.960) 2.168 2.833 ( -1.198 0.137 -3.278) 3.493 2.833 ( 1.198 0.137 3.278) 3.493 2.894 ( -0.756 -0.722 -1.846) 2.122 2.894 ( 0.756 -0.722 1.846) 2.122 2.959 ( -1.133 -1.648 -2.239) 3.002 2.959 ( 1.133 -1.648 2.239) 3.002 3.025 ( 0.847 0.204 -3.396) 3.506 3.025 ( -0.847 0.204 3.396) 3.506 3.060 ( 1.409 -0.849 -1.407) 2.164 3.060 ( -1.409 -0.849 1.407) 2.164 3.105 ( -5.365 1.237 -2.764) 6.161 3.105 ( 5.365 1.237 2.764) 6.161 3.180 ( -3.320 -1.091 -1.801) 3.932 3.180 ( 3.320 -1.091 1.801) 3.932 3.296 ( 0.683 0.431 -1.493) 1.698 3.296 ( -0.683 0.431 1.493) 1.698 3.320 ( 1.235 0.728 -1.352) 1.971 3.320 ( -1.235 0.728 1.352) 1.971 3.496 ( -2.909 -0.045 -0.755) 3.006 3.496 ( 2.909 -0.045 0.755) 3.006 3.517 ( -3.048 -0.954 -0.711) 3.272 3.517 ( 3.048 -0.954 0.711) 3.272 3.576 ( -0.199 -0.845 -0.390) 0.952 3.576 ( 0.199 -0.845 0.390) 0.952 3.618 ( -0.042 0.555 -0.824) 0.994 3.618 ( 0.042 0.555 0.824) 0.994 3.635 ( -0.315 0.981 -1.872) 2.137 3.635 ( 0.315 0.981 1.872) 2.137 3.661 ( -1.060 0.407 -0.736) 1.353 3.661 ( 1.060 0.407 0.736) 1.353 3.956 ( -0.676 -0.476 -0.604) 1.024 3.956 ( 0.676 -0.476 0.604) 1.024 3.984 ( -1.150 -0.238 -0.300) 1.212 3.984 ( 1.150 -0.238 0.300) 1.212 4.033 ( 0.644 0.081 -0.713) 0.965 4.033 ( -0.644 0.081 0.713) 0.965 4.052 ( -0.559 0.242 -1.345) 1.477 4.052 ( 0.559 0.242 1.345) 1.477 4.098 ( -1.482 0.660 -2.840) 3.271 4.098 ( 1.482 0.660 2.840) 3.271 4.152 ( -2.444 -0.554 -2.522) 3.555 4.152 ( 2.444 -0.554 2.522) 3.555 4.211 ( -0.306 -0.443 -0.465) 0.712 4.211 ( 0.306 -0.443 0.465) 0.712 4.279 ( -1.243 0.463 -1.178) 1.773 4.279 ( 1.243 0.463 1.178) 1.773 4.406 ( -0.189 0.432 -4.244) 4.270 4.406 ( 0.189 0.432 4.244) 4.270 4.442 ( -0.764 -0.549 -3.937) 4.048 4.442 ( 0.764 -0.549 3.937) 4.048 4.574 ( -3.442 0.618 -1.181) 3.691 4.574 ( 3.442 0.618 1.181) 3.691 4.612 ( -3.215 -0.326 -1.056) 3.400 4.612 ( 3.215 -0.326 1.056) 3.400 4.770 ( -0.028 -0.437 -0.844) 0.951 4.770 ( 0.028 -0.437 0.844) 0.951 4.800 ( -0.205 0.401 -0.729) 0.857 4.800 ( 0.205 0.401 0.729) 0.857 4.855 ( -1.218 0.472 -0.609) 1.441 4.855 ( 1.218 0.472 0.609) 1.441 4.885 ( -1.783 -0.476 -0.865) 2.038 4.885 ( 1.783 -0.476 0.865) 2.038 5.107 ( -0.234 -0.340 -0.316) 0.520 5.107 ( 0.234 -0.340 0.316) 0.520 5.146 ( 0.246 0.273 -0.588) 0.693 5.146 ( -0.246 0.273 0.588) 0.693 5.375 ( -5.528 0.046 -1.941) 5.859 5.375 ( 5.528 0.046 1.941) 5.859 5.399 ( -4.069 0.025 -2.045) 4.553 5.399 ( 4.069 0.025 2.045) 4.553 5.565 ( -0.515 0.748 -1.400) 1.669 5.565 ( 0.515 0.748 1.400) 1.669 5.602 ( 0.181 -0.535 -1.289) 1.407 5.602 ( -0.181 -0.535 1.289) 1.407 5.894 ( -0.941 -0.453 -0.020) 1.044 5.894 ( 0.941 -0.453 0.020) 1.044 5.964 ( -1.425 0.353 -0.248) 1.489 5.964 ( 1.425 0.353 0.248) 1.489 6.557 ( 0.156 0.064 -2.149) 2.155 6.557 ( -0.156 0.064 2.149) 2.155 6.591 ( 0.326 -0.128 -2.524) 2.548 6.591 ( -0.326 -0.128 2.524) 2.548 6.742 ( -2.174 0.736 -1.531) 2.759 6.742 ( 2.174 0.736 1.531) 2.759 6.798 ( -2.589 -0.768 -1.556) 3.116 6.798 ( 2.589 -0.768 1.556) 3.116 6.900 ( -1.560 0.612 -1.958) 2.577 6.900 ( 1.560 0.612 1.958) 2.577 6.942 ( -2.172 -0.431 -1.806) 2.858 6.942 ( 2.172 -0.431 1.806) 2.858 7.012 ( 1.036 0.378 -0.818) 1.373 7.012 ( -1.036 0.378 0.818) 1.373 7.041 ( -1.280 -0.433 0.196) 1.365 7.041 ( 1.280 -0.433 -0.196) 1.365 7.159 ( -0.062 -0.286 -0.185) 0.346 7.159 ( 0.062 -0.286 0.185) 0.346 7.176 ( 0.180 0.074 -0.205) 0.282 7.176 ( -0.180 0.074 0.205) 0.282 7.245 ( -0.045 -0.016 -0.267) 0.271 7.245 ( 0.045 -0.016 0.267) 0.271 7.252 ( 0.014 -0.097 -0.070) 0.121 7.252 ( -0.014 -0.097 0.070) 0.121 7.427 ( 0.158 -0.050 -0.262) 0.310 7.427 ( -0.158 -0.050 0.262) 0.310 7.434 ( 0.011 0.036 -0.231) 0.234 7.434 ( -0.011 0.036 0.231) 0.234 7.654 ( 0.194 0.074 -0.508) 0.549 7.654 ( -0.194 0.074 0.508) 0.549 7.663 ( 0.077 -0.059 -0.632) 0.640 7.663 ( -0.077 -0.059 0.632) 0.640 7.730 ( -0.077 0.046 -0.289) 0.302 7.730 ( 0.077 0.046 0.289) 0.302 7.733 ( -0.135 -0.049 -0.312) 0.344 7.733 ( 0.135 -0.049 0.312) 0.344 16.580 ( -0.131 0.606 -0.408) 0.742 16.580 ( 0.131 0.606 0.408) 0.742 16.618 ( -0.223 -0.688 -0.535) 0.899 16.618 ( 0.223 -0.688 0.535) 0.899 16.886 ( 0.215 0.362 -0.380) 0.567 16.886 ( -0.215 0.362 0.380) 0.567 16.908 ( -1.594 -0.348 0.430) 1.687 16.908 ( 1.594 -0.348 -0.430) 1.687 17.070 ( -0.064 0.234 -0.192) 0.309 17.070 ( 0.064 0.234 0.192) 0.309 17.106 ( -0.605 -0.399 -0.245) 0.765 17.106 ( 0.605 -0.399 0.245) 0.765 17.337 ( -0.178 0.152 -0.188) 0.301 17.337 ( 0.178 0.152 0.188) 0.301 17.370 ( -1.724 -0.139 -0.295) 1.754 17.370 ( 1.724 -0.139 0.295) 1.754 17.740 ( -0.703 1.476 -0.558) 1.727 17.740 ( 0.703 1.476 0.558) 1.727 17.836 ( -1.735 -1.671 -2.318) 3.344 17.836 ( 1.735 -1.671 2.318) 3.344 18.257 ( -2.019 0.136 -0.428) 2.069 18.257 ( 2.019 0.136 0.428) 2.069 18.283 ( -2.509 -0.238 -0.944) 2.691 18.283 ( 2.509 -0.238 0.944) 2.691 18.397 ( 0.708 0.222 -3.782) 3.854 18.397 ( -0.708 0.222 3.782) 3.854 18.423 ( 1.889 -0.603 -4.899) 5.285 18.423 ( -1.889 -0.603 4.899) 5.285 18.615 ( -0.168 -0.248 -0.896) 0.945 18.615 ( 0.168 -0.248 0.896) 0.945 18.647 ( -0.369 0.519 -0.951) 1.144 18.647 ( 0.369 0.519 0.951) 1.144 18.813 ( -3.090 0.725 -0.560) 3.223 18.813 ( 3.090 0.725 0.560) 3.223 18.866 ( -4.485 -1.089 -0.676) 4.665 18.866 ( 4.485 -1.089 0.676) 4.665 19.316 ( -2.080 -0.079 0.146) 2.087 19.316 ( 2.080 -0.079 -0.146) 2.087 19.325 ( -1.395 0.070 0.226) 1.415 19.325 ( 1.395 0.070 -0.226) 1.415 19.971 ( -2.892 0.447 0.046) 2.927 19.971 ( 2.892 0.447 -0.046) 2.927 19.997 ( -3.039 -0.336 0.341) 3.076 19.997 ( 3.039 -0.336 -0.341) 3.076 20.311 ( 1.801 0.206 -2.620) 3.186 20.311 ( -1.801 0.206 2.620) 3.186 20.338 ( 1.383 0.125 -2.531) 2.887 20.338 ( -1.383 0.125 2.531) 2.887 ======================= Grid point 53 (26/30) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 2.959 7.791 -7.470) 11.192 0.765 ( -1.252 2.494 -9.395) 9.801 0.794 ( 5.146 1.877 6.036) 8.150 0.893 ( -1.180 5.887 -5.615) 8.221 0.927 ( 1.334 1.384 4.441) 4.839 0.964 ( 0.243 -0.447 -5.584) 5.607 1.007 ( -1.245 1.834 2.487) 3.331 1.051 ( -0.697 -1.032 1.665) 2.079 1.069 ( 2.340 -2.332 -3.700) 4.960 1.133 ( 2.757 -1.556 2.410) 3.979 1.145 ( 3.380 -1.447 -0.954) 3.798 1.192 ( -0.501 0.954 0.671) 1.269 1.218 ( 4.117 1.333 -5.062) 6.660 1.288 ( -1.815 -0.356 1.417) 2.330 1.327 ( -0.383 -3.236 -0.236) 3.268 1.339 ( -1.029 -1.027 -2.587) 2.967 1.382 ( -1.201 -2.362 -0.501) 2.697 1.412 ( 1.163 1.285 0.877) 1.942 1.434 ( 0.972 -0.080 0.539) 1.114 1.454 ( 2.968 -1.177 0.264) 3.204 1.466 ( -2.619 0.676 -1.990) 3.358 1.503 ( -1.751 0.148 -1.391) 2.241 1.538 ( -1.724 0.820 -3.569) 4.048 1.584 ( -0.443 -0.457 -3.147) 3.211 1.629 ( -0.946 0.452 2.696) 2.893 1.632 ( 3.416 -0.318 0.318) 3.445 1.663 ( -3.448 -0.259 2.878) 4.499 1.721 ( -0.277 -1.511 1.552) 2.183 1.742 ( 0.193 -1.357 3.576) 3.829 1.768 ( 2.829 -1.157 -0.590) 3.113 1.805 ( -2.923 0.300 4.121) 5.061 1.825 ( -0.283 0.529 3.529) 3.580 1.844 ( 1.494 -0.014 -0.779) 1.685 1.848 ( 2.355 0.449 2.186) 3.244 1.876 ( 0.647 0.244 -0.044) 0.692 1.905 ( 0.649 -0.818 -0.120) 1.051 1.987 ( 3.920 1.453 0.330) 4.193 2.003 ( 2.636 0.227 1.879) 3.245 2.021 ( -0.835 1.076 1.322) 1.898 2.074 ( 1.230 -1.058 2.826) 3.258 2.091 ( 1.476 0.870 1.505) 2.281 2.125 ( 0.961 1.715 0.549) 2.041 2.152 ( -0.041 -1.155 1.630) 1.998 2.154 ( 5.496 -0.685 1.154) 5.657 2.172 ( 1.412 0.356 -0.167) 1.465 2.196 ( 0.234 1.967 0.658) 2.087 2.228 ( -0.252 -1.093 -0.849) 1.406 2.262 ( 2.376 -0.298 -2.287) 3.312 2.309 ( -0.908 -1.268 -2.742) 3.154 2.338 ( -1.018 -1.665 -2.232) 2.964 2.365 ( 0.476 1.662 -0.061) 1.730 2.398 ( 2.233 1.351 -0.232) 2.620 2.434 ( 2.941 0.376 3.660) 4.711 2.487 ( -1.386 0.503 2.832) 3.193 2.488 ( -1.491 0.229 -2.106) 2.590 2.495 ( 0.250 0.184 0.508) 0.596 2.529 ( -1.249 -1.581 -0.260) 2.032 2.553 ( -1.274 -1.710 1.721) 2.740 2.570 ( -2.382 -2.133 1.455) 3.513 2.614 ( 0.358 -2.816 4.335) 5.182 2.648 ( -4.341 0.908 0.529) 4.466 2.671 ( -4.975 0.899 -2.200) 5.514 2.713 ( -2.647 2.001 -0.679) 3.387 2.739 ( -3.293 -0.366 -0.742) 3.395 2.750 ( -1.355 -0.094 -0.897) 1.628 2.773 ( -4.055 0.181 0.109) 4.061 2.802 ( -2.699 -0.486 -3.127) 4.159 2.813 ( -4.029 -0.626 -2.525) 4.796 2.835 ( -1.878 -1.001 -2.334) 3.159 2.848 ( 0.315 -0.652 -0.811) 1.088 2.890 ( -2.996 0.782 -3.266) 4.500 2.931 ( -3.334 0.485 -3.503) 4.860 2.943 ( -1.054 1.999 0.403) 2.296 3.036 ( 0.365 -1.267 2.255) 2.612 3.074 ( 2.881 0.659 -2.747) 4.035 3.115 ( 1.779 -0.746 -2.497) 3.155 3.122 ( 0.593 -0.316 1.061) 1.256 3.136 ( 1.051 -0.705 1.812) 2.210 3.166 ( -2.305 1.646 0.001) 2.832 3.227 ( 1.977 -1.476 -0.641) 2.549 3.293 ( -1.657 0.875 3.486) 3.958 3.307 ( -0.485 0.060 1.420) 1.502 3.349 ( 2.564 1.350 0.551) 2.949 3.398 ( -3.958 0.799 0.491) 4.067 3.418 ( 4.437 -0.819 4.002) 6.032 3.419 ( -2.667 -0.875 -2.571) 3.806 3.529 ( -0.260 0.459 -1.946) 2.016 3.555 ( 1.720 -0.527 -0.997) 2.057 3.573 ( -0.275 -0.579 0.736) 0.976 3.592 ( 0.456 -0.861 2.225) 2.429 3.620 ( 0.604 -0.049 -0.872) 1.062 3.625 ( -0.319 -0.066 -0.773) 0.839 3.632 ( 0.628 1.105 0.561) 1.390 3.664 ( 2.147 -0.338 -0.372) 2.205 3.672 ( 1.236 0.800 -0.014) 1.472 3.696 ( 1.229 0.031 0.647) 1.389 3.954 ( 1.429 0.219 -0.322) 1.481 3.977 ( 0.145 0.655 -0.907) 1.128 3.985 ( 2.279 -0.674 -0.228) 2.387 4.011 ( 0.163 -0.358 -0.660) 0.768 4.022 ( 1.386 -0.484 -1.150) 1.865 4.037 ( 0.738 -0.176 -0.079) 0.763 4.055 ( 0.968 -0.237 -0.180) 1.013 4.073 ( 0.845 -0.095 0.460) 0.967 4.088 ( -0.361 0.042 -0.348) 0.503 4.098 ( 1.137 0.047 0.309) 1.179 4.146 ( -0.388 0.530 1.861) 1.973 4.167 ( -1.579 -0.352 0.259) 1.639 4.222 ( 1.185 -0.406 -0.067) 1.254 4.225 ( 0.586 -0.279 -0.469) 0.801 4.260 ( 0.715 0.991 -0.168) 1.234 4.290 ( -0.547 -0.222 0.238) 0.637 4.383 ( 0.391 0.355 -3.015) 3.061 4.397 ( -0.738 -0.254 -3.051) 3.149 4.423 ( -1.184 0.685 4.504) 4.707 4.454 ( -2.085 -0.400 3.691) 4.258 4.530 ( -0.701 0.098 -0.055) 0.710 4.546 ( -1.989 -0.517 -0.705) 2.172 4.600 ( -2.722 0.738 -1.871) 3.384 4.627 ( -2.975 -0.280 -3.046) 4.267 4.745 ( -1.459 -0.114 0.931) 1.735 4.752 ( -0.645 -0.319 0.157) 0.736 4.786 ( -0.962 0.406 -2.677) 2.873 4.803 ( -1.016 -0.482 -2.277) 2.539 4.876 ( 2.854 0.722 1.579) 3.340 4.895 ( 1.758 0.755 0.910) 2.119 4.916 ( 3.561 -0.593 1.585) 3.943 4.935 ( 2.012 -0.572 0.494) 2.149 5.111 ( 0.424 -0.069 2.195) 2.237 5.129 ( 0.082 -0.713 2.199) 2.313 5.161 ( 0.252 0.601 2.814) 2.888 5.176 ( 1.812 -0.060 2.793) 3.330 5.232 ( -1.987 0.440 -2.439) 3.176 5.262 ( -1.887 -0.619 -2.586) 3.261 5.439 ( -1.911 0.771 -1.788) 2.729 5.472 ( 0.067 -0.403 -1.151) 1.221 5.572 ( 1.646 0.322 -0.440) 1.734 5.579 ( 0.104 0.531 1.052) 1.183 5.593 ( -0.349 -0.453 -1.066) 1.210 5.602 ( -0.336 -0.334 1.274) 1.359 5.891 ( 0.700 0.190 0.445) 0.851 5.913 ( 1.043 -0.727 0.087) 1.274 5.954 ( 0.009 1.069 -0.425) 1.151 5.989 ( 0.282 -0.453 -0.949) 1.089 6.551 ( 0.503 0.351 -1.811) 1.912 6.563 ( -0.249 0.199 1.317) 1.355 6.584 ( 0.241 -0.185 -1.519) 1.549 6.595 ( -0.567 -0.317 2.366) 2.454 6.715 ( 0.431 0.596 -0.219) 0.768 6.751 ( -0.279 -0.826 -0.311) 0.926 6.790 ( -0.263 1.146 0.620) 1.329 6.841 ( -1.080 -0.728 0.260) 1.328 6.879 ( 0.864 0.097 -0.419) 0.965 6.895 ( 0.935 -0.517 -0.938) 1.422 6.939 ( 0.345 1.004 0.693) 1.268 6.979 ( 0.005 -0.282 1.187) 1.220 7.002 ( -0.618 -0.337 0.275) 0.755 7.008 ( -0.096 -0.245 1.145) 1.175 7.024 ( 0.210 0.601 -1.316) 1.462 7.054 ( 0.221 -0.525 -1.023) 1.171 7.148 ( -0.591 -0.063 -0.361) 0.695 7.151 ( -0.623 -0.089 -0.476) 0.789 7.169 ( -0.367 -0.004 0.026) 0.368 7.172 ( -0.318 -0.027 -0.457) 0.558 7.250 ( 0.442 0.022 0.055) 0.446 7.253 ( 0.327 -0.081 0.515) 0.615 7.255 ( 0.296 0.032 0.357) 0.465 7.258 ( 0.358 -0.103 0.007) 0.373 7.425 ( -0.144 -0.026 0.334) 0.364 7.427 ( -0.019 -0.105 -0.276) 0.296 7.433 ( 0.057 0.065 -0.201) 0.219 7.434 ( -0.047 0.024 0.060) 0.080 7.653 ( -0.129 0.117 0.418) 0.453 7.655 ( 0.123 0.053 -0.544) 0.560 7.662 ( 0.089 -0.048 -0.655) 0.663 7.664 ( -0.186 -0.101 0.495) 0.538 7.728 ( -0.016 0.022 -0.162) 0.164 7.729 ( -0.036 -0.021 -0.190) 0.194 7.732 ( -0.109 0.053 0.221) 0.252 7.734 ( -0.140 -0.051 0.211) 0.259 16.580 ( 0.297 0.640 0.026) 0.706 16.587 ( 0.200 0.879 0.198) 0.923 16.626 ( 0.919 -1.117 0.188) 1.459 16.634 ( 0.737 -0.851 0.436) 1.207 16.885 ( 0.165 0.093 0.574) 0.604 16.889 ( 0.305 0.050 0.040) 0.311 16.906 ( 1.180 0.335 0.335) 1.271 16.935 ( 1.180 -0.525 -1.468) 1.956 17.063 ( -0.296 0.310 -0.328) 0.540 17.073 ( 0.128 0.439 -0.248) 0.520 17.092 ( -0.553 -0.386 -0.727) 0.991 17.113 ( -0.028 -0.608 -0.856) 1.050 17.309 ( -1.666 0.300 -0.398) 1.739 17.319 ( -1.043 0.015 -0.054) 1.045 17.346 ( -0.824 0.426 0.771) 1.206 17.377 ( -1.112 -0.671 -0.322) 1.338 17.761 ( 2.652 0.608 -0.456) 2.759 17.783 ( 2.554 1.227 0.322) 2.852 17.810 ( -0.020 -0.490 -1.488) 1.566 17.875 ( 0.313 -1.591 1.104) 1.962 18.220 ( -0.228 0.181 1.843) 1.866 18.233 ( -1.047 -0.299 1.143) 1.579 18.281 ( -0.437 0.668 0.432) 0.907 18.322 ( 0.221 -0.877 2.048) 2.239 18.382 ( -0.440 0.244 -3.098) 3.139 18.394 ( -1.112 0.140 0.459) 1.212 18.403 ( -2.384 -0.172 0.492) 2.440 18.424 ( -0.300 -0.874 -4.609) 4.700 18.617 ( 1.135 -0.118 0.638) 1.307 18.638 ( 1.749 -0.833 1.678) 2.563 18.653 ( 0.961 1.099 0.864) 1.696 18.677 ( 1.601 0.531 1.990) 2.609 18.780 ( 0.373 -0.460 -0.242) 0.640 18.789 ( -1.814 -0.547 -0.357) 1.928 18.856 ( 0.099 1.249 -1.675) 2.091 18.924 ( 0.331 -1.354 -2.072) 2.497 19.268 ( -0.487 0.265 2.729) 2.785 19.282 ( -0.117 -0.255 2.909) 2.922 19.367 ( 0.523 0.186 -1.676) 1.765 19.378 ( 1.002 -0.190 -1.357) 1.697 19.939 ( 0.561 0.395 0.298) 0.748 19.960 ( -0.016 -0.391 0.440) 0.589 20.019 ( 1.115 0.416 -1.273) 1.742 20.044 ( 0.709 -0.609 -1.201) 1.522 20.284 ( -1.490 0.234 3.784) 4.074 20.305 ( -1.363 -0.639 2.303) 2.751 20.339 ( 0.564 0.768 -1.559) 1.827 20.349 ( 0.520 0.279 -2.528) 2.596 ======================= Grid point 54 (27/30) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 7.492 2.520 -5.130) 9.423 0.663 ( -7.492 2.520 5.130) 9.423 0.850 ( 5.020 4.162 -8.604) 10.796 0.850 ( -5.020 4.162 8.604) 10.796 0.988 ( -5.821 0.190 -0.469) 5.843 0.988 ( 5.821 0.190 0.469) 5.843 1.072 ( -4.625 -0.971 -1.154) 4.865 1.072 ( 4.625 -0.971 1.154) 4.865 1.106 ( -0.441 -0.365 -3.181) 3.232 1.106 ( 0.441 -0.365 3.181) 3.232 1.169 ( -2.536 0.162 -3.993) 4.733 1.169 ( 2.536 0.162 3.993) 4.733 1.269 ( -2.422 -1.535 -3.556) 4.568 1.269 ( 2.422 -1.535 3.556) 4.568 1.329 ( 0.832 -2.792 -2.473) 3.822 1.329 ( -0.832 -2.792 2.473) 3.822 1.385 ( -1.955 3.362 -2.331) 4.535 1.385 ( 1.955 3.362 2.331) 4.535 1.438 ( -1.930 0.886 -3.223) 3.859 1.438 ( 1.930 0.886 3.223) 3.859 1.502 ( 0.467 -1.115 -2.964) 3.201 1.502 ( -0.467 -1.115 2.964) 3.201 1.541 ( -0.203 -0.075 -2.169) 2.180 1.541 ( 0.203 -0.075 2.169) 2.180 1.614 ( -0.860 0.065 -1.633) 1.847 1.614 ( 0.860 0.065 1.633) 1.847 1.677 ( 2.343 0.282 -2.650) 3.548 1.677 ( -2.343 0.282 2.650) 3.548 1.754 ( -0.518 -1.928 -1.732) 2.643 1.754 ( 0.518 -1.928 1.732) 2.643 1.818 ( -1.409 -0.604 -0.853) 1.754 1.818 ( 1.409 -0.604 0.853) 1.754 1.871 ( 1.267 0.961 -2.208) 2.721 1.871 ( -1.267 0.961 2.208) 2.721 1.908 ( -1.515 0.041 -1.407) 2.069 1.908 ( 1.515 0.041 1.407) 2.069 2.027 ( -1.333 1.162 -2.231) 2.847 2.027 ( 1.333 1.162 2.231) 2.847 2.078 ( -1.207 0.334 -1.698) 2.110 2.078 ( 1.207 0.334 1.698) 2.110 2.089 ( 1.632 0.613 -1.461) 2.274 2.089 ( -1.632 0.613 1.461) 2.274 2.169 ( -1.719 1.730 -0.557) 2.501 2.169 ( 1.719 1.730 0.557) 2.501 2.219 ( -3.099 -1.076 -4.078) 5.234 2.219 ( 3.099 -1.076 4.078) 5.234 2.279 ( -3.271 -1.388 -1.862) 4.011 2.279 ( 3.271 -1.388 1.862) 4.011 2.318 ( 0.921 -1.713 -3.262) 3.798 2.318 ( -0.921 -1.713 3.262) 3.798 2.357 ( -4.055 -0.800 -1.244) 4.316 2.357 ( 4.055 -0.800 1.244) 4.316 2.431 ( -0.530 -0.249 -3.606) 3.653 2.431 ( 0.530 -0.249 3.606) 3.653 2.486 ( 0.707 0.424 -2.005) 2.168 2.486 ( -0.707 0.424 2.005) 2.168 2.557 ( 0.962 -0.707 -1.631) 2.021 2.557 ( -0.962 -0.707 1.631) 2.021 2.594 ( -2.483 -0.337 -0.848) 2.645 2.594 ( 2.483 -0.337 0.848) 2.645 2.641 ( -0.268 -0.063 -1.021) 1.057 2.641 ( 0.268 -0.063 1.021) 1.057 2.672 ( -3.713 -0.393 -2.343) 4.408 2.672 ( 3.713 -0.393 2.343) 4.408 2.731 ( -2.531 0.142 -3.460) 4.289 2.731 ( 2.531 0.142 3.460) 4.289 2.765 ( -2.197 -1.304 -0.796) 2.676 2.765 ( 2.197 -1.304 0.796) 2.676 2.821 ( -2.045 1.628 -5.600) 6.180 2.821 ( 2.045 1.628 5.600) 6.180 2.873 ( -0.273 0.991 -2.829) 3.010 2.873 ( 0.273 0.991 2.829) 3.010 3.023 ( -6.558 1.470 -1.347) 6.854 3.023 ( 6.558 1.470 1.347) 6.854 3.092 ( -2.435 -0.393 -2.855) 3.773 3.092 ( 2.435 -0.393 2.855) 3.773 3.126 ( 0.729 0.044 -1.297) 1.488 3.126 ( -0.729 0.044 1.297) 1.488 3.202 ( -2.255 -0.693 -4.641) 5.206 3.202 ( 2.255 -0.693 4.641) 5.206 3.292 ( -1.273 0.975 -1.765) 2.385 3.292 ( 1.273 0.975 1.765) 2.385 3.330 ( -0.852 -0.412 -1.932) 2.152 3.330 ( 0.852 -0.412 1.932) 2.152 3.471 ( -2.900 0.674 -4.189) 5.140 3.471 ( 2.900 0.674 4.189) 5.140 3.537 ( -2.376 -0.849 -2.869) 3.821 3.537 ( 2.376 -0.849 2.869) 3.821 3.591 ( 0.258 -0.703 -1.021) 1.266 3.591 ( -0.258 -0.703 1.021) 1.266 3.618 ( -0.305 0.236 -0.323) 0.503 3.618 ( 0.305 0.236 0.323) 0.503 3.663 ( -1.499 0.601 -1.281) 2.062 3.663 ( 1.499 0.601 1.281) 2.062 3.698 ( 0.931 -0.277 -0.450) 1.070 3.698 ( -0.931 -0.277 0.450) 1.070 3.997 ( -1.748 -0.103 -0.816) 1.932 3.997 ( 1.748 -0.103 0.816) 1.932 4.014 ( -2.307 0.396 -1.034) 2.559 4.014 ( 2.307 0.396 1.034) 2.559 4.049 ( -2.198 -0.394 -0.694) 2.338 4.049 ( 2.198 -0.394 0.694) 2.338 4.073 ( -0.749 -0.980 -0.286) 1.266 4.073 ( 0.749 -0.980 0.286) 1.266 4.103 ( 0.630 0.354 -0.363) 0.809 4.103 ( -0.630 0.354 0.363) 0.809 4.121 ( -1.820 0.146 -0.123) 1.830 4.121 ( 1.820 0.146 0.123) 1.830 4.239 ( -0.264 -0.386 -0.332) 0.574 4.239 ( 0.264 -0.386 0.332) 0.574 4.281 ( -0.399 0.406 -0.326) 0.656 4.281 ( 0.399 0.406 0.326) 0.656 4.394 ( 1.745 0.383 -1.949) 2.644 4.394 ( -1.745 0.383 1.949) 2.644 4.412 ( 1.858 -0.018 -1.821) 2.601 4.412 ( -1.858 -0.018 1.821) 2.601 4.527 ( -1.011 -0.008 -1.223) 1.587 4.527 ( 1.011 -0.008 1.223) 1.587 4.547 ( -1.352 -0.096 -0.722) 1.535 4.547 ( 1.352 -0.096 0.722) 1.535 4.747 ( -0.670 -0.019 -2.198) 2.298 4.747 ( 0.670 -0.019 2.198) 2.298 4.764 ( -0.947 -0.315 -1.368) 1.693 4.764 ( 0.947 -0.315 1.368) 1.693 4.914 ( -0.214 0.890 -0.119) 0.923 4.914 ( 0.214 0.890 0.119) 0.923 4.955 ( -0.033 -0.597 -0.543) 0.808 4.955 ( 0.033 -0.597 0.543) 0.808 5.133 ( -0.370 -0.520 -0.759) 0.992 5.133 ( 0.370 -0.520 0.759) 0.992 5.152 ( -0.052 0.129 -0.092) 0.167 5.152 ( 0.052 0.129 0.092) 0.167 5.331 ( -5.849 0.678 -4.161) 7.210 5.331 ( 5.849 0.678 4.161) 7.210 5.381 ( -6.588 -0.628 -4.380) 7.936 5.381 ( 6.588 -0.628 4.380) 7.936 5.581 ( 0.163 0.358 -1.068) 1.138 5.581 ( -0.163 0.358 1.068) 1.138 5.598 ( 0.742 -0.222 -0.961) 1.234 5.598 ( -0.742 -0.222 0.961) 1.234 5.919 ( -1.143 0.350 -1.299) 1.766 5.919 ( 1.143 0.350 1.299) 1.766 5.961 ( -1.528 -0.235 -1.631) 2.247 5.961 ( 1.528 -0.235 1.631) 2.247 6.558 ( 0.918 0.504 -2.294) 2.522 6.558 ( -0.918 0.504 2.294) 2.522 6.590 ( 1.031 -0.358 -2.497) 2.725 6.590 ( -1.031 -0.358 2.497) 2.725 6.748 ( -1.888 0.316 -0.839) 2.090 6.748 ( 1.888 0.316 0.839) 2.090 6.785 ( -2.439 -0.345 -0.949) 2.640 6.785 ( 2.439 -0.345 0.949) 2.640 6.913 ( -1.772 0.430 -0.362) 1.859 6.913 ( 1.772 0.430 0.362) 1.859 6.949 ( -2.289 -0.599 -0.798) 2.497 6.949 ( 2.289 -0.599 0.798) 2.497 7.007 ( -0.548 0.507 -1.901) 2.042 7.007 ( 0.548 0.507 1.901) 2.042 7.041 ( -0.854 -0.458 -1.431) 1.728 7.041 ( 0.854 -0.458 1.431) 1.728 7.141 ( -0.068 0.078 -0.126) 0.163 7.141 ( 0.068 0.078 0.126) 0.163 7.166 ( 0.030 -0.082 -0.347) 0.357 7.166 ( -0.030 -0.082 0.347) 0.357 7.256 ( 0.136 0.028 -0.293) 0.324 7.256 ( -0.136 0.028 0.293) 0.324 7.262 ( -0.015 -0.057 -0.326) 0.332 7.262 ( 0.015 -0.057 0.326) 0.332 7.425 ( 0.018 -0.057 -0.379) 0.384 7.425 ( -0.018 -0.057 0.379) 0.384 7.433 ( 0.065 0.027 -0.159) 0.174 7.433 ( -0.065 0.027 0.159) 0.174 7.653 ( 0.058 0.103 -0.596) 0.608 7.653 ( -0.058 0.103 0.596) 0.608 7.662 ( 0.215 -0.096 -0.599) 0.643 7.662 ( -0.215 -0.096 0.599) 0.643 7.729 ( 0.170 0.035 -0.097) 0.199 7.729 ( -0.170 0.035 0.097) 0.199 7.731 ( 0.223 -0.031 -0.095) 0.244 7.731 ( -0.223 -0.031 0.095) 0.244 16.587 ( -0.091 0.833 -0.180) 0.857 16.587 ( 0.091 0.833 0.180) 0.857 16.640 ( -0.143 -1.078 -0.096) 1.092 16.640 ( 0.143 -1.078 0.096) 1.092 16.893 ( 0.066 0.072 -0.978) 0.983 16.893 ( -0.066 0.072 0.978) 0.983 16.935 ( -0.382 -0.260 -2.025) 2.077 16.935 ( 0.382 -0.260 2.025) 2.077 17.064 ( -0.413 0.434 -0.478) 0.766 17.064 ( 0.413 0.434 0.478) 0.766 17.096 ( -0.878 -0.639 -0.858) 1.384 17.096 ( 0.878 -0.639 0.858) 1.384 17.301 ( -0.610 0.440 -0.065) 0.755 17.301 ( 0.610 0.440 0.065) 0.755 17.348 ( -0.856 -0.373 -0.786) 1.220 17.348 ( 0.856 -0.373 0.786) 1.220 17.799 ( -0.782 -0.101 -0.099) 0.795 17.799 ( 0.782 -0.101 0.099) 0.795 17.844 ( -2.984 0.220 -0.176) 2.997 17.844 ( 2.984 0.220 0.176) 2.997 18.249 ( -0.954 -0.080 -0.965) 1.359 18.249 ( 0.954 -0.080 0.965) 1.359 18.288 ( -3.218 -0.052 -2.577) 4.123 18.288 ( 3.218 -0.052 2.577) 4.123 18.366 ( 0.895 0.106 -3.752) 3.859 18.366 ( -0.895 0.106 3.752) 3.859 18.386 ( -0.353 -0.614 -3.813) 3.878 18.386 ( 0.353 -0.614 3.813) 3.878 18.648 ( 0.195 0.304 -0.872) 0.944 18.648 ( -0.195 0.304 0.872) 0.944 18.693 ( -0.258 -0.429 -1.192) 1.293 18.693 ( 0.258 -0.429 1.192) 1.293 18.794 ( -3.030 0.787 -1.753) 3.588 18.794 ( 3.030 0.787 1.753) 3.588 18.861 ( -3.981 -0.882 -2.916) 5.013 18.861 ( 3.981 -0.882 2.916) 5.013 19.321 ( -3.000 0.307 -3.597) 4.694 19.321 ( 3.000 0.307 3.597) 4.694 19.339 ( -2.956 -0.320 -3.362) 4.488 19.339 ( 2.956 -0.320 3.362) 4.488 19.994 ( -0.337 -0.114 -0.480) 0.597 19.994 ( 0.337 -0.114 0.480) 0.597 19.998 ( -1.872 -0.015 -0.456) 1.927 19.998 ( 1.872 -0.015 0.456) 1.927 20.294 ( -0.371 -0.562 -1.211) 1.386 20.294 ( 0.371 -0.562 1.211) 1.386 20.340 ( -0.086 0.759 -0.809) 1.112 20.340 ( 0.086 0.759 0.809) 1.112 ======================= Grid point 57 (28/30) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 0.000 0.000 -0.000) 0.000 0.802 ( 0.000 -0.000 0.000) 0.000 0.892 ( -0.000 0.000 -0.000) 0.000 0.892 ( -0.000 0.000 0.000) 0.000 0.919 ( 0.000 0.000 -0.000) 0.000 0.919 ( -0.000 0.000 0.000) 0.000 0.999 ( -0.000 0.000 -0.000) 0.000 0.999 ( -0.000 0.000 0.000) 0.000 1.097 ( -0.000 0.000 -0.000) 0.000 1.097 ( -0.000 0.000 0.000) 0.000 1.206 ( -0.000 -0.000 -0.000) 0.000 1.206 ( 0.000 -0.000 0.000) 0.000 1.213 ( -0.000 0.000 -0.000) 0.000 1.213 ( 0.000 0.000 0.000) 0.000 1.298 ( 0.000 0.000 -0.000) 0.000 1.298 ( -0.000 0.000 0.000) 0.000 1.367 ( 0.000 0.000 -0.000) 0.000 1.367 ( -0.000 0.000 0.000) 0.000 1.421 ( -0.000 0.000 0.000) 0.000 1.421 ( 0.000 0.000 0.000) 0.000 1.554 ( -0.000 0.000 -0.000) 0.000 1.554 ( -0.000 0.000 0.000) 0.000 1.574 ( -0.000 0.000 -0.000) 0.000 1.574 ( 0.000 0.000 0.000) 0.000 1.640 ( -0.000 0.000 -0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.672 ( 0.000 0.000 -0.000) 0.000 1.672 ( 0.000 0.000 0.000) 0.000 1.672 ( -0.000 -0.000 -0.000) 0.000 1.672 ( -0.000 0.000 0.000) 0.000 1.818 ( 0.000 0.000 -0.000) 0.000 1.818 ( -0.000 0.000 0.000) 0.000 1.840 ( 0.000 -0.000 -0.000) 0.000 1.840 ( -0.000 0.000 0.000) 0.000 1.869 ( 0.000 0.000 -0.000) 0.000 1.869 ( 0.000 0.000 0.000) 0.000 1.970 ( -0.000 0.000 -0.000) 0.000 1.970 ( -0.000 0.000 0.000) 0.000 1.976 ( -0.000 0.000 -0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 -0.000) 0.000 2.123 ( -0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 -0.000) 0.000 2.144 ( -0.000 0.000 0.000) 0.000 2.183 ( 0.000 0.000 -0.000) 0.000 2.183 ( -0.000 0.000 0.000) 0.000 2.232 ( -0.000 0.000 0.000) 0.000 2.232 ( 0.000 -0.000 0.000) 0.000 2.319 ( -0.000 0.000 -0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.364 ( -0.000 0.000 -0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.440 ( -0.000 0.000 -0.000) 0.000 2.440 ( -0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 -0.000) 0.000 2.515 ( -0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 -0.000) 0.000 2.531 ( -0.000 0.000 0.000) 0.000 2.627 ( -0.000 0.000 -0.000) 0.000 2.627 ( -0.000 0.000 0.000) 0.000 2.713 ( -0.000 0.000 -0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.771 ( -0.000 0.000 -0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.798 ( -0.000 0.000 -0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 -0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.887 ( -0.000 0.000 -0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.931 ( -0.000 0.000 -0.000) 0.000 2.931 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 -0.000 -0.000) 0.000 3.036 ( -0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 -0.000) 0.000 3.040 ( -0.000 0.000 0.000) 0.000 3.139 ( -0.000 0.000 -0.000) 0.000 3.139 ( 0.000 0.000 0.000) 0.000 3.148 ( -0.000 0.000 -0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.302 ( 0.000 0.000 -0.000) 0.000 3.302 ( 0.000 0.000 0.000) 0.000 3.330 ( -0.000 0.000 -0.000) 0.000 3.330 ( -0.000 0.000 0.000) 0.000 3.497 ( -0.000 0.000 -0.000) 0.000 3.497 ( 0.000 0.000 0.000) 0.000 3.503 ( -0.000 0.000 -0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.565 ( -0.000 0.000 0.000) 0.000 3.565 ( -0.000 0.000 0.000) 0.000 3.625 ( -0.000 0.000 0.000) 0.000 3.625 ( -0.000 0.000 0.000) 0.000 3.648 ( -0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 3.665 ( -0.000 0.000 -0.000) 0.000 3.665 ( -0.000 0.000 0.000) 0.000 3.951 ( -0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 3.979 ( -0.000 0.000 -0.000) 0.000 3.979 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.058 ( -0.000 0.000 -0.000) 0.000 4.058 ( -0.000 0.000 0.000) 0.000 4.108 ( -0.000 0.000 -0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.142 ( -0.000 0.000 -0.000) 0.000 4.142 ( -0.000 0.000 0.000) 0.000 4.207 ( -0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.285 ( -0.000 0.000 0.000) 0.000 4.285 ( 0.000 0.000 0.000) 0.000 4.414 ( -0.000 0.000 -0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.432 ( -0.000 0.000 -0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 4.585 ( -0.000 0.000 -0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 4.605 ( -0.000 0.000 -0.000) 0.000 4.605 ( 0.000 0.000 0.000) 0.000 4.765 ( -0.000 0.000 0.000) 0.000 4.765 ( 0.000 0.000 0.000) 0.000 4.805 ( -0.000 0.000 -0.000) 0.000 4.805 ( -0.000 0.000 0.000) 0.000 4.865 ( -0.000 0.000 -0.000) 0.000 4.865 ( 0.000 0.000 0.000) 0.000 4.876 ( -0.000 0.000 -0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 5.103 ( -0.000 0.000 0.000) 0.000 5.103 ( 0.000 0.000 0.000) 0.000 5.149 ( -0.000 0.000 -0.000) 0.000 5.149 ( 0.000 0.000 0.000) 0.000 5.376 ( -0.000 0.000 -0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 5.399 ( -0.000 0.000 -0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.581 ( -0.000 0.000 -0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.589 ( -0.000 0.000 -0.000) 0.000 5.589 ( -0.000 0.000 0.000) 0.000 5.888 ( 0.000 0.000 0.000) 0.000 5.888 ( -0.000 0.000 0.000) 0.000 5.968 ( -0.000 0.000 -0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 6.558 ( 0.000 0.000 -0.000) 0.000 6.558 ( -0.000 0.000 0.000) 0.000 6.589 ( -0.000 0.000 -0.000) 0.000 6.589 ( 0.000 0.000 0.000) 0.000 6.755 ( -0.000 0.000 -0.000) 0.000 6.755 ( -0.000 0.000 0.000) 0.000 6.785 ( -0.000 0.000 -0.000) 0.000 6.785 ( 0.000 0.000 0.000) 0.000 6.910 ( 0.000 0.000 0.000) 0.000 6.910 ( 0.000 0.000 0.000) 0.000 6.935 ( -0.000 0.000 -0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 -0.000) 0.000 7.019 ( -0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 -0.000) 0.000 7.033 ( -0.000 0.000 0.000) 0.000 7.156 ( -0.000 0.000 -0.000) 0.000 7.156 ( -0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 -0.000) 0.000 7.176 ( -0.000 0.000 0.000) 0.000 7.245 ( -0.000 0.000 0.000) 0.000 7.245 ( 0.000 0.000 0.000) 0.000 7.251 ( -0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.426 ( -0.000 0.000 0.000) 0.000 7.426 ( -0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 -0.000) 0.000 7.434 ( -0.000 0.000 -0.000) 0.000 7.655 ( 0.000 0.000 -0.000) 0.000 7.655 ( -0.000 0.000 0.000) 0.000 7.662 ( 0.000 0.000 -0.000) 0.000 7.662 ( -0.000 0.000 0.000) 0.000 7.732 ( -0.000 0.000 -0.000) 0.000 7.732 ( 0.000 0.000 0.000) 0.000 7.732 ( -0.000 -0.000 -0.000) 0.000 7.732 ( 0.000 -0.000 0.000) 0.000 16.593 ( -0.000 0.000 0.000) 0.000 16.593 ( -0.000 0.000 0.000) 0.000 16.603 ( -0.000 0.000 -0.000) 0.000 16.603 ( 0.000 0.000 0.000) 0.000 16.893 ( 0.000 0.000 -0.000) 0.000 16.893 ( 0.000 0.000 0.000) 0.000 16.901 ( 0.000 0.000 0.000) 0.000 16.901 ( -0.000 0.000 0.000) 0.000 17.075 ( -0.000 0.000 -0.000) 0.000 17.075 ( -0.000 0.000 0.000) 0.000 17.100 ( -0.000 0.000 0.000) 0.000 17.100 ( 0.000 0.000 0.000) 0.000 17.339 ( -0.000 0.000 -0.000) 0.000 17.339 ( 0.000 0.000 0.000) 0.000 17.368 ( -0.000 0.000 -0.000) 0.000 17.368 ( -0.000 0.000 0.000) 0.000 17.772 ( -0.000 0.000 -0.000) 0.000 17.772 ( -0.000 0.000 0.000) 0.000 17.802 ( -0.000 0.000 -0.000) 0.000 17.802 ( 0.000 0.000 0.000) 0.000 18.259 ( -0.000 0.000 -0.000) 0.000 18.259 ( 0.000 0.000 0.000) 0.000 18.279 ( -0.000 0.000 -0.000) 0.000 18.279 ( 0.000 0.000 0.000) 0.000 18.402 ( 0.000 0.000 -0.000) 0.000 18.402 ( -0.000 0.000 0.000) 0.000 18.414 ( 0.000 0.000 -0.000) 0.000 18.414 ( -0.000 0.000 0.000) 0.000 18.612 ( 0.000 0.000 -0.000) 0.000 18.612 ( -0.000 0.000 0.000) 0.000 18.654 ( -0.000 0.000 -0.000) 0.000 18.654 ( 0.000 0.000 0.000) 0.000 18.832 ( -0.000 0.000 -0.000) 0.000 18.832 ( -0.000 0.000 0.000) 0.000 18.843 ( -0.000 0.000 0.000) 0.000 18.843 ( 0.000 -0.000 0.000) 0.000 19.315 ( -0.000 0.000 0.000) 0.000 19.315 ( 0.000 0.000 0.000) 0.000 19.326 ( -0.000 0.000 0.000) 0.000 19.326 ( 0.000 0.000 -0.000) 0.000 19.979 ( -0.000 0.000 0.000) 0.000 19.979 ( 0.000 0.000 -0.000) 0.000 19.990 ( -0.000 0.000 0.000) 0.000 19.990 ( 0.000 0.000 0.000) 0.000 20.314 ( 0.000 0.000 -0.000) 0.000 20.314 ( -0.000 0.000 0.000) 0.000 20.340 ( 0.000 0.000 -0.000) 0.000 20.340 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 61 (29/30) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -3.143 -4.940 -3.547) 6.846 0.732 ( -3.143 4.940 -3.547) 6.846 0.880 ( 4.972 -4.706 -4.517) 8.202 0.880 ( 4.972 4.706 -4.517) 8.202 0.967 ( 1.750 -1.867 -5.165) 5.764 0.967 ( 1.750 1.867 -5.165) 5.764 1.049 ( -1.106 -0.935 4.247) 4.487 1.049 ( -1.106 0.935 4.247) 4.487 1.099 ( 0.050 -3.390 3.621) 4.960 1.099 ( 0.050 3.390 3.621) 4.960 1.134 ( 1.181 -3.931 -0.671) 4.159 1.134 ( 1.181 3.931 -0.671) 4.159 1.230 ( -1.735 -2.745 1.108) 3.432 1.230 ( -1.735 2.745 1.108) 3.432 1.321 ( 0.654 -1.550 -0.443) 1.740 1.321 ( 0.654 1.550 -0.443) 1.740 1.401 ( 2.864 -2.731 -2.110) 4.485 1.401 ( 2.864 2.731 -2.110) 4.485 1.430 ( 1.504 -0.481 -1.431) 2.132 1.430 ( 1.504 0.481 -1.431) 2.132 1.500 ( -0.818 -1.232 -2.812) 3.177 1.500 ( -0.818 1.232 -2.812) 3.177 1.562 ( -0.853 -0.922 -3.476) 3.696 1.562 ( -0.853 0.922 -3.476) 3.696 1.633 ( 0.560 -0.414 3.750) 3.814 1.633 ( 0.560 0.414 3.750) 3.814 1.672 ( -1.869 -2.111 1.367) 3.134 1.672 ( -1.869 2.111 1.367) 3.134 1.740 ( 1.239 -1.013 1.335) 2.084 1.740 ( 1.239 1.013 1.335) 2.084 1.823 ( -1.239 -0.827 3.985) 4.255 1.823 ( -1.239 0.827 3.985) 4.255 1.849 ( 2.004 -0.584 -0.359) 2.118 1.849 ( 2.004 0.584 -0.359) 2.118 1.885 ( 0.817 -0.686 -0.778) 1.321 1.885 ( 0.817 0.686 -0.778) 1.321 2.004 ( 3.359 -0.881 0.531) 3.513 2.004 ( 3.359 0.881 0.531) 3.513 2.052 ( 2.949 -1.383 4.001) 5.159 2.052 ( 2.949 1.383 4.001) 5.159 2.103 ( -0.122 -1.677 1.297) 2.124 2.103 ( -0.122 1.677 1.297) 2.124 2.165 ( 1.642 -0.717 0.155) 1.799 2.165 ( 1.642 0.717 0.155) 1.799 2.184 ( 1.001 -1.553 2.168) 2.849 2.184 ( 1.001 1.553 2.168) 2.849 2.261 ( -0.050 -2.421 -2.257) 3.311 2.261 ( -0.050 2.421 -2.257) 3.311 2.292 ( -0.627 -2.043 -2.266) 3.115 2.292 ( -0.627 2.043 -2.266) 3.115 2.403 ( -1.237 -1.665 -2.014) 2.891 2.403 ( -1.237 1.665 -2.014) 2.891 2.459 ( 1.637 -2.325 2.276) 3.642 2.459 ( 1.637 2.325 2.276) 3.642 2.496 ( -2.308 -0.641 -1.466) 2.808 2.496 ( -2.308 0.641 -1.466) 2.808 2.525 ( 0.051 -0.964 2.742) 2.907 2.525 ( 0.051 0.964 2.742) 2.907 2.554 ( -0.413 -1.651 3.352) 3.759 2.554 ( -0.413 1.651 3.352) 3.759 2.674 ( -4.909 -1.155 -1.223) 5.189 2.674 ( -4.909 1.155 -1.223) 5.189 2.734 ( -3.404 -0.658 -1.093) 3.635 2.734 ( -3.404 0.658 -1.093) 3.635 2.764 ( -2.185 -1.481 -0.107) 2.642 2.764 ( -2.185 1.481 -0.107) 2.642 2.813 ( -1.852 -0.899 -0.633) 2.154 2.813 ( -1.852 0.899 -0.633) 2.154 2.818 ( -2.391 -1.209 -1.995) 3.340 2.818 ( -2.391 1.209 -1.995) 3.340 2.917 ( -1.112 -1.159 -3.404) 3.764 2.917 ( -1.112 1.159 -3.404) 3.764 2.998 ( -0.891 -2.334 1.119) 2.737 2.998 ( -0.891 2.334 1.119) 2.737 3.092 ( 2.964 -1.164 -2.907) 4.311 3.092 ( 2.964 1.164 -2.907) 4.311 3.122 ( 1.194 -0.365 1.758) 2.157 3.122 ( 1.194 0.365 1.758) 2.157 3.199 ( -0.503 -1.273 -0.419) 1.432 3.199 ( -0.503 1.273 -0.419) 1.432 3.306 ( -1.396 -0.302 2.575) 2.944 3.306 ( -1.396 0.302 2.575) 2.944 3.384 ( 3.899 -1.749 1.228) 4.446 3.384 ( 3.899 1.749 1.228) 4.446 3.411 ( -3.480 -0.415 -0.085) 3.506 3.411 ( -3.480 0.415 -0.085) 3.506 3.542 ( 1.137 -0.657 -2.066) 2.447 3.542 ( 1.137 0.657 -2.066) 2.447 3.572 ( 0.358 -0.671 1.909) 2.055 3.572 ( 0.358 0.671 1.909) 2.055 3.622 ( -0.200 -0.212 -0.807) 0.858 3.622 ( -0.200 0.212 -0.807) 0.858 3.654 ( 1.164 -0.733 -0.053) 1.376 3.654 ( 1.164 0.733 -0.053) 1.376 3.689 ( 1.052 -0.655 0.284) 1.272 3.689 ( 1.052 0.655 0.284) 1.272 3.963 ( 1.804 -0.661 -0.824) 2.091 3.963 ( 1.804 0.661 -0.824) 2.091 4.005 ( 0.573 -0.922 -0.678) 1.280 4.005 ( 0.573 0.922 -0.678) 1.280 4.016 ( 0.858 -1.088 -0.158) 1.395 4.016 ( 0.858 1.088 -0.158) 1.395 4.064 ( 0.135 -0.643 0.293) 0.720 4.064 ( 0.135 0.643 0.293) 0.720 4.095 ( 0.661 -0.427 -0.051) 0.788 4.095 ( 0.661 0.427 -0.051) 0.788 4.158 ( -0.814 -0.541 1.029) 1.419 4.158 ( -0.814 0.541 1.029) 1.419 4.219 ( 1.063 -0.156 -0.306) 1.117 4.219 ( 1.063 0.156 -0.306) 1.117 4.280 ( -0.142 -0.730 -0.056) 0.746 4.280 ( -0.142 0.730 -0.056) 0.746 4.391 ( 0.025 -0.351 -2.803) 2.825 4.391 ( 0.025 0.351 -2.803) 2.825 4.440 ( -1.575 -0.814 3.993) 4.369 4.440 ( -1.575 0.814 3.993) 4.369 4.535 ( -1.503 -0.429 -0.410) 1.616 4.535 ( -1.503 0.429 -0.410) 1.616 4.616 ( -2.875 -0.661 -2.517) 3.878 4.616 ( -2.875 0.661 -2.517) 3.878 4.746 ( -0.964 -0.200 0.489) 1.099 4.746 ( -0.964 0.200 0.489) 1.099 4.794 ( -1.176 -0.359 -2.627) 2.900 4.794 ( -1.176 0.359 -2.627) 2.900 4.895 ( 3.236 -0.873 1.725) 3.769 4.895 ( 3.236 0.873 1.725) 3.769 4.918 ( 1.973 -0.879 0.663) 2.259 4.918 ( 1.973 0.879 0.663) 2.259 5.115 ( 0.310 -0.447 2.286) 2.350 5.115 ( 0.310 0.447 2.286) 2.350 5.172 ( 0.719 -0.350 2.553) 2.676 5.172 ( 0.719 0.350 2.553) 2.676 5.246 ( -1.825 -0.786 -2.393) 3.110 5.246 ( -1.825 0.786 -2.393) 3.110 5.458 ( -0.961 -0.839 -1.483) 1.956 5.458 ( -0.961 0.839 -1.483) 1.956 5.582 ( 0.706 -0.544 -0.737) 1.156 5.582 ( 0.706 0.544 -0.737) 1.156 5.592 ( -0.200 -0.581 1.157) 1.310 5.592 ( -0.200 0.581 1.157) 1.310 5.899 ( 1.108 -0.571 0.302) 1.283 5.899 ( 1.108 0.571 0.302) 1.283 5.975 ( 0.029 -0.853 -0.729) 1.123 5.975 ( 0.029 0.853 -0.729) 1.123 6.560 ( 0.583 -0.445 -0.992) 1.234 6.560 ( 0.583 0.445 -0.992) 1.234 6.587 ( -0.501 -0.410 1.142) 1.313 6.587 ( -0.501 0.410 1.142) 1.313 6.732 ( 0.030 -0.911 -0.290) 0.957 6.732 ( 0.030 0.911 -0.290) 0.957 6.818 ( -0.630 -1.322 0.738) 1.640 6.818 ( -0.630 1.322 0.738) 1.640 6.885 ( 0.826 -0.399 -0.930) 1.306 6.885 ( 0.826 0.399 -0.930) 1.306 6.963 ( 0.155 -1.059 0.639) 1.247 6.963 ( 0.155 1.059 0.639) 1.247 7.002 ( -0.426 -0.239 1.060) 1.167 7.002 ( -0.426 0.239 1.060) 1.167 7.039 ( 0.245 -0.740 -1.205) 1.435 7.039 ( 0.245 0.740 -1.205) 1.435 7.149 ( -0.449 -0.100 -0.321) 0.561 7.149 ( -0.449 0.100 -0.321) 0.561 7.170 ( -0.402 -0.090 -0.277) 0.496 7.170 ( -0.402 0.090 -0.277) 0.496 7.251 ( 0.395 -0.101 0.335) 0.528 7.251 ( 0.395 0.101 0.335) 0.528 7.256 ( 0.346 -0.084 0.175) 0.397 7.256 ( 0.346 0.084 0.175) 0.397 7.425 ( -0.087 -0.052 0.050) 0.113 7.425 ( -0.087 0.052 0.050) 0.113 7.434 ( 0.003 -0.034 -0.095) 0.101 7.434 ( 0.003 0.034 -0.095) 0.101 7.655 ( 0.020 -0.067 -0.065) 0.095 7.655 ( 0.020 0.067 -0.065) 0.095 7.661 ( -0.075 -0.062 -0.080) 0.126 7.661 ( -0.075 0.062 -0.080) 0.126 7.729 ( -0.024 -0.030 -0.178) 0.182 7.729 ( -0.024 0.030 -0.178) 0.182 7.733 ( -0.123 -0.073 0.220) 0.263 7.733 ( -0.123 0.073 0.220) 0.263 16.600 ( 0.598 -1.170 -0.062) 1.315 16.600 ( 0.598 1.170 -0.062) 1.315 16.610 ( 0.415 -1.225 0.357) 1.341 16.610 ( 0.415 1.225 0.357) 1.341 16.888 ( 0.094 -0.152 0.499) 0.530 16.888 ( 0.094 0.152 0.499) 0.530 16.919 ( 1.209 -0.783 -0.802) 1.649 16.919 ( 1.209 0.783 -0.802) 1.649 17.072 ( -0.032 -0.509 -0.123) 0.525 17.072 ( -0.032 0.509 -0.123) 0.525 17.097 ( -0.413 -0.796 -0.758) 1.174 17.097 ( -0.413 0.796 -0.758) 1.174 17.316 ( -1.129 -0.284 -0.182) 1.179 17.316 ( -1.129 0.284 -0.182) 1.179 17.360 ( -1.173 -0.780 0.226) 1.427 17.360 ( -1.173 0.780 0.226) 1.427 17.780 ( 1.328 -1.003 -0.810) 1.851 17.780 ( 1.328 1.003 -0.810) 1.851 17.832 ( 1.584 -2.099 0.606) 2.699 17.832 ( 1.584 2.099 0.606) 2.699 18.226 ( -0.682 -0.317 1.436) 1.621 18.226 ( -0.682 0.317 1.436) 1.621 18.300 ( -0.140 -1.043 1.005) 1.455 18.300 ( -0.140 1.043 1.005) 1.455 18.389 ( -1.017 -0.418 -0.913) 1.430 18.389 ( -1.017 0.418 -0.913) 1.430 18.407 ( -1.034 -0.554 -2.478) 2.742 18.407 ( -1.034 0.554 -2.478) 2.742 18.622 ( 1.274 -0.546 1.277) 1.885 18.622 ( 1.274 0.546 1.277) 1.885 18.675 ( 1.423 -0.713 1.499) 2.186 18.675 ( 1.423 0.713 1.499) 2.186 18.778 ( -0.897 -0.297 -0.357) 1.011 18.778 ( -0.897 0.297 -0.357) 1.011 18.889 ( 0.335 -1.736 -1.986) 2.659 18.889 ( 0.335 1.736 -1.986) 2.659 19.275 ( -0.292 -0.368 2.793) 2.832 19.275 ( -0.292 0.368 2.793) 2.832 19.373 ( 0.752 -0.262 -1.497) 1.696 19.373 ( 0.752 0.262 -1.497) 1.696 19.950 ( 0.223 -0.517 0.396) 0.688 19.950 ( 0.223 0.517 0.396) 0.688 20.030 ( 0.876 -0.601 -1.456) 1.802 20.030 ( 0.876 0.601 -1.456) 1.802 20.293 ( -1.619 -0.495 2.934) 3.387 20.293 ( -1.619 0.495 2.934) 3.387 20.350 ( 0.642 -0.217 -1.805) 1.928 20.350 ( 0.642 0.217 -1.805) 1.928 ======================= Grid point 63 (30/30) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 16 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -0.000 0.000 -0.000) 0.000 0.703 ( -0.000 0.000 0.000) 0.000 0.933 ( 0.000 -0.000 -0.000) 0.000 0.933 ( 0.000 0.000 -0.000) 0.000 0.984 ( -0.000 0.000 0.000) 0.000 0.984 ( -0.000 0.000 0.000) 0.000 1.074 ( 0.000 -0.000 -0.000) 0.000 1.074 ( 0.000 -0.000 0.000) 0.000 1.077 ( -0.000 0.000 -0.000) 0.000 1.077 ( 0.000 0.000 -0.000) 0.000 1.123 ( -0.000 0.000 -0.000) 0.000 1.123 ( -0.000 0.000 0.000) 0.000 1.276 ( 0.000 -0.000 0.000) 0.000 1.276 ( 0.000 -0.000 0.000) 0.000 1.287 ( -0.000 0.000 -0.000) 0.000 1.287 ( -0.000 0.000 -0.000) 0.000 1.453 ( 0.000 0.000 -0.000) 0.000 1.453 ( 0.000 0.000 -0.000) 0.000 1.458 ( -0.000 0.000 0.000) 0.000 1.458 ( 0.000 -0.000 0.000) 0.000 1.470 ( -0.000 0.000 -0.000) 0.000 1.470 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 -0.000) 0.000 1.552 ( -0.000 0.000 0.000) 0.000 1.597 ( 0.000 0.000 -0.000) 0.000 1.597 ( -0.000 0.000 0.000) 0.000 1.702 ( -0.000 -0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.711 ( 0.000 0.000 0.000) 0.000 1.711 ( -0.000 0.000 0.000) 0.000 1.808 ( -0.000 0.000 0.000) 0.000 1.808 ( -0.000 0.000 0.000) 0.000 1.886 ( -0.000 0.000 -0.000) 0.000 1.886 ( -0.000 0.000 0.000) 0.000 1.908 ( 0.000 0.000 -0.000) 0.000 1.908 ( -0.000 0.000 0.000) 0.000 2.035 ( -0.000 0.000 0.000) 0.000 2.035 ( -0.000 0.000 0.000) 0.000 2.074 ( -0.000 0.000 0.000) 0.000 2.074 ( -0.000 0.000 -0.000) 0.000 2.110 ( -0.000 0.000 -0.000) 0.000 2.110 ( -0.000 0.000 0.000) 0.000 2.173 ( -0.000 0.000 -0.000) 0.000 2.173 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 -0.000) 0.000 2.230 ( 0.000 0.000 0.000) 0.000 2.252 ( -0.000 0.000 -0.000) 0.000 2.252 ( -0.000 0.000 0.000) 0.000 2.309 ( -0.000 -0.000 -0.000) 0.000 2.309 ( -0.000 0.000 0.000) 0.000 2.330 ( 0.000 0.000 -0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.434 ( -0.000 0.000 -0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 -0.000) 0.000 2.490 ( -0.000 0.000 0.000) 0.000 2.548 ( -0.000 0.000 -0.000) 0.000 2.548 ( 0.000 -0.000 0.000) 0.000 2.579 ( -0.000 0.000 0.000) 0.000 2.579 ( 0.000 0.000 0.000) 0.000 2.650 ( -0.000 0.000 -0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 2.669 ( -0.000 0.000 -0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 2.731 ( -0.000 0.000 -0.000) 0.000 2.731 ( -0.000 0.000 0.000) 0.000 2.748 ( -0.000 0.000 -0.000) 0.000 2.748 ( 0.000 0.000 0.000) 0.000 2.844 ( -0.000 0.000 -0.000) 0.000 2.844 ( -0.000 0.000 0.000) 0.000 2.879 ( -0.000 0.000 -0.000) 0.000 2.879 ( -0.000 0.000 0.000) 0.000 3.061 ( -0.000 0.000 -0.000) 0.000 3.061 ( 0.000 -0.000 0.000) 0.000 3.069 ( -0.000 0.000 -0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.129 ( 0.000 0.000 -0.000) 0.000 3.129 ( -0.000 0.000 0.000) 0.000 3.192 ( -0.000 0.000 0.000) 0.000 3.192 ( -0.000 0.000 0.000) 0.000 3.312 ( -0.000 0.000 -0.000) 0.000 3.312 ( 0.000 0.000 0.000) 0.000 3.317 ( -0.000 0.000 -0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 3.486 ( -0.000 0.000 -0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.521 ( -0.000 0.000 -0.000) 0.000 3.521 ( 0.000 0.000 0.000) 0.000 3.582 ( -0.000 0.000 -0.000) 0.000 3.582 ( -0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.620 ( -0.000 0.000 0.000) 0.000 3.675 ( -0.000 -0.000 -0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.691 ( -0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.996 ( -0.000 0.000 0.000) 0.000 3.996 ( -0.000 0.000 0.000) 0.000 4.018 ( -0.000 0.000 -0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.051 ( -0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.053 ( -0.000 -0.000 -0.000) 0.000 4.053 ( 0.000 0.000 0.000) 0.000 4.109 ( -0.000 0.000 0.000) 0.000 4.109 ( -0.000 0.000 0.000) 0.000 4.121 ( -0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.234 ( -0.000 0.000 0.000) 0.000 4.234 ( -0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.286 ( -0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 -0.000) 0.000 4.399 ( -0.000 0.000 0.000) 0.000 4.411 ( 0.000 0.000 -0.000) 0.000 4.411 ( -0.000 0.000 0.000) 0.000 4.526 ( -0.000 0.000 -0.000) 0.000 4.526 ( 0.000 0.000 0.000) 0.000 4.546 ( -0.000 0.000 -0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.746 ( -0.000 0.000 -0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 4.761 ( -0.000 0.000 -0.000) 0.000 4.761 ( 0.000 -0.000 0.000) 0.000 4.932 ( -0.000 -0.000 -0.000) 0.000 4.932 ( -0.000 0.000 0.000) 0.000 4.941 ( -0.000 0.000 -0.000) 0.000 4.941 ( -0.000 0.000 0.000) 0.000 5.126 ( -0.000 0.000 -0.000) 0.000 5.126 ( -0.000 0.000 0.000) 0.000 5.153 ( -0.000 0.000 -0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.343 ( -0.000 0.000 -0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.370 ( -0.000 0.000 -0.000) 0.000 5.370 ( 0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 -0.000) 0.000 5.589 ( -0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 -0.000) 0.000 5.593 ( -0.000 0.000 0.000) 0.000 5.925 ( -0.000 0.000 -0.000) 0.000 5.925 ( 0.000 0.000 0.000) 0.000 5.957 ( -0.000 0.000 -0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.568 ( 0.000 0.000 -0.000) 0.000 6.568 ( -0.000 0.000 0.000) 0.000 6.583 ( 0.000 0.000 -0.000) 0.000 6.583 ( -0.000 0.000 0.000) 0.000 6.754 ( -0.000 0.000 -0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 6.779 ( -0.000 0.000 -0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 6.921 ( -0.000 0.000 -0.000) 0.000 6.921 ( 0.000 0.000 0.000) 0.000 6.939 ( -0.000 0.000 -0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 7.016 ( -0.000 0.000 -0.000) 0.000 7.016 ( -0.000 0.000 0.000) 0.000 7.033 ( -0.000 0.000 -0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.142 ( 0.000 0.000 -0.000) 0.000 7.142 ( -0.000 0.000 0.000) 0.000 7.164 ( -0.000 0.000 -0.000) 0.000 7.164 ( -0.000 0.000 0.000) 0.000 7.257 ( -0.000 0.000 0.000) 0.000 7.257 ( -0.000 0.000 0.000) 0.000 7.261 ( -0.000 0.000 -0.000) 0.000 7.261 ( -0.000 0.000 0.000) 0.000 7.424 ( -0.000 0.000 0.000) 0.000 7.424 ( -0.000 0.000 0.000) 0.000 7.433 ( -0.000 0.000 -0.000) 0.000 7.433 ( -0.000 0.000 0.000) 0.000 7.655 ( 0.000 0.000 -0.000) 0.000 7.655 ( -0.000 0.000 0.000) 0.000 7.660 ( 0.000 0.000 -0.000) 0.000 7.660 ( -0.000 0.000 0.000) 0.000 7.730 ( 0.000 0.000 -0.000) 0.000 7.730 ( -0.000 0.000 0.000) 0.000 7.730 ( 0.000 -0.000 -0.000) 0.000 7.730 ( -0.000 0.000 0.000) 0.000 16.608 ( -0.000 0.000 0.000) 0.000 16.608 ( -0.000 0.000 0.000) 0.000 16.616 ( -0.000 -0.000 0.000) 0.000 16.616 ( -0.000 0.000 0.000) 0.000 16.894 ( -0.000 0.000 -0.000) 0.000 16.894 ( -0.000 0.000 0.000) 0.000 16.931 ( -0.000 0.000 -0.000) 0.000 16.931 ( -0.000 0.000 0.000) 0.000 17.076 ( -0.000 -0.000 -0.000) 0.000 17.076 ( 0.000 0.000 0.000) 0.000 17.082 ( -0.000 0.000 -0.000) 0.000 17.082 ( 0.000 0.000 0.000) 0.000 17.308 ( -0.000 0.000 0.000) 0.000 17.308 ( -0.000 0.000 0.000) 0.000 17.342 ( -0.000 0.000 0.000) 0.000 17.342 ( -0.000 0.000 0.000) 0.000 17.798 ( -0.000 0.000 0.000) 0.000 17.798 ( 0.000 0.000 0.000) 0.000 17.847 ( -0.000 0.000 0.000) 0.000 17.847 ( -0.000 0.000 0.000) 0.000 18.247 ( -0.000 0.000 -0.000) 0.000 18.247 ( 0.000 0.000 0.000) 0.000 18.287 ( -0.000 0.000 0.000) 0.000 18.287 ( 0.000 0.000 0.000) 0.000 18.369 ( -0.000 0.000 0.000) 0.000 18.369 ( -0.000 -0.000 0.000) 0.000 18.376 ( -0.000 0.000 -0.000) 0.000 18.376 ( -0.000 0.000 0.000) 0.000 18.654 ( -0.000 0.000 0.000) 0.000 18.654 ( -0.000 0.000 0.000) 0.000 18.687 ( -0.000 0.000 -0.000) 0.000 18.687 ( 0.000 0.000 0.000) 0.000 18.808 ( -0.000 0.000 -0.000) 0.000 18.808 ( 0.000 0.000 0.000) 0.000 18.846 ( -0.000 0.000 -0.000) 0.000 18.846 ( -0.000 0.000 0.000) 0.000 19.329 ( -0.000 0.000 -0.000) 0.000 19.329 ( 0.000 0.000 0.000) 0.000 19.332 ( -0.000 -0.000 -0.000) 0.000 19.332 ( 0.000 0.000 0.000) 0.000 19.992 ( -0.000 0.000 -0.000) 0.000 19.992 ( 0.000 0.000 0.000) 0.000 19.998 ( -0.000 0.000 -0.000) 0.000 19.998 ( 0.000 0.000 0.000) 0.000 20.288 ( -0.000 0.000 -0.000) 0.000 20.288 ( -0.000 0.000 0.000) 0.000 20.348 ( -0.000 0.000 -0.000) 0.000 20.348 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/14592 10.0 16.902 8.127 15.473 0.000 3.742 0.000 3/14592 20.0 4.701 2.260 4.451 0.000 1.016 0.000 3/14592 30.0 2.495 1.183 2.383 0.000 0.523 0.000 3/14592 40.0 1.701 0.790 1.622 0.000 0.354 0.000 3/14592 50.0 1.305 0.594 1.239 0.000 0.273 0.000 3/14592 60.0 1.068 0.477 1.010 0.000 0.225 0.000 3/14592 70.0 0.909 0.399 0.856 0.000 0.193 0.000 3/14592 80.0 0.794 0.344 0.746 0.000 0.170 0.000 3/14592 90.0 0.707 0.303 0.662 0.000 0.153 0.000 3/14592 100.0 0.638 0.270 0.596 0.000 0.139 0.000 3/14592 110.0 0.581 0.245 0.542 0.000 0.128 0.000 3/14592 120.0 0.535 0.223 0.498 0.000 0.118 0.000 3/14592 130.0 0.495 0.205 0.460 0.000 0.110 0.000 3/14592 140.0 0.461 0.190 0.428 0.000 0.103 0.000 3/14592 150.0 0.432 0.177 0.400 0.000 0.097 0.000 3/14592 160.0 0.406 0.166 0.376 0.000 0.091 0.000 3/14592 170.0 0.383 0.156 0.354 0.000 0.087 0.000 3/14592 180.0 0.362 0.147 0.335 0.000 0.082 0.000 3/14592 190.0 0.344 0.139 0.318 0.000 0.078 0.000 3/14592 200.0 0.327 0.132 0.302 0.000 0.075 0.000 3/14592 210.0 0.312 0.126 0.288 0.000 0.071 0.000 3/14592 220.0 0.299 0.120 0.276 0.000 0.068 0.000 3/14592 230.0 0.286 0.115 0.264 0.000 0.066 0.000 3/14592 240.0 0.275 0.110 0.253 0.000 0.063 0.000 3/14592 250.0 0.264 0.106 0.243 0.000 0.061 0.000 3/14592 260.0 0.254 0.102 0.234 0.000 0.059 0.000 3/14592 270.0 0.245 0.098 0.226 0.000 0.056 0.000 3/14592 280.0 0.237 0.094 0.218 0.000 0.055 0.000 3/14592 290.0 0.229 0.091 0.211 0.000 0.053 0.000 3/14592 300.0 0.221 0.088 0.204 0.000 0.051 0.000 3/14592 310.0 0.214 0.085 0.198 0.000 0.050 0.000 3/14592 320.0 0.208 0.083 0.192 0.000 0.048 0.000 3/14592 330.0 0.202 0.080 0.186 0.000 0.047 0.000 3/14592 340.0 0.196 0.078 0.181 0.000 0.045 0.000 3/14592 350.0 0.191 0.075 0.176 0.000 0.044 0.000 3/14592 360.0 0.185 0.073 0.171 0.000 0.043 0.000 3/14592 370.0 0.181 0.071 0.166 0.000 0.042 0.000 3/14592 380.0 0.176 0.070 0.162 0.000 0.041 0.000 3/14592 390.0 0.172 0.068 0.158 0.000 0.040 0.000 3/14592 400.0 0.167 0.066 0.154 0.000 0.039 0.000 3/14592 410.0 0.163 0.064 0.151 0.000 0.038 0.000 3/14592 420.0 0.160 0.063 0.147 0.000 0.037 0.000 3/14592 430.0 0.156 0.061 0.144 0.000 0.036 0.000 3/14592 440.0 0.153 0.060 0.141 0.000 0.036 0.000 3/14592 450.0 0.149 0.059 0.137 0.000 0.035 0.000 3/14592 460.0 0.146 0.057 0.135 0.000 0.034 0.000 3/14592 470.0 0.143 0.056 0.132 0.000 0.033 0.000 3/14592 480.0 0.140 0.055 0.129 0.000 0.033 0.000 3/14592 490.0 0.137 0.054 0.127 0.000 0.032 0.000 3/14592 500.0 0.135 0.053 0.124 0.000 0.032 0.000 3/14592 510.0 0.132 0.052 0.122 0.000 0.031 0.000 3/14592 520.0 0.130 0.051 0.119 0.000 0.030 0.000 3/14592 530.0 0.127 0.050 0.117 0.000 0.030 0.000 3/14592 540.0 0.125 0.049 0.115 0.000 0.029 0.000 3/14592 550.0 0.123 0.048 0.113 0.000 0.029 0.000 3/14592 560.0 0.121 0.047 0.111 0.000 0.028 0.000 3/14592 570.0 0.119 0.046 0.109 0.000 0.028 0.000 3/14592 580.0 0.117 0.046 0.107 0.000 0.027 0.000 3/14592 590.0 0.115 0.045 0.106 0.000 0.027 0.000 3/14592 600.0 0.113 0.044 0.104 0.000 0.026 0.000 3/14592 610.0 0.111 0.043 0.102 0.000 0.026 0.000 3/14592 620.0 0.109 0.043 0.101 0.000 0.026 0.000 3/14592 630.0 0.108 0.042 0.099 0.000 0.025 0.000 3/14592 640.0 0.106 0.041 0.098 0.000 0.025 0.000 3/14592 650.0 0.104 0.041 0.096 0.000 0.025 0.000 3/14592 660.0 0.103 0.040 0.095 0.000 0.024 0.000 3/14592 670.0 0.101 0.040 0.093 0.000 0.024 0.000 3/14592 680.0 0.100 0.039 0.092 0.000 0.023 0.000 3/14592 690.0 0.098 0.038 0.091 0.000 0.023 0.000 3/14592 700.0 0.097 0.038 0.089 0.000 0.023 0.000 3/14592 710.0 0.096 0.037 0.088 0.000 0.023 0.000 3/14592 720.0 0.094 0.037 0.087 0.000 0.022 0.000 3/14592 730.0 0.093 0.036 0.086 0.000 0.022 0.000 3/14592 740.0 0.092 0.036 0.085 0.000 0.022 0.000 3/14592 750.0 0.091 0.035 0.084 0.000 0.021 0.000 3/14592 760.0 0.090 0.035 0.082 0.000 0.021 0.000 3/14592 770.0 0.088 0.034 0.081 0.000 0.021 0.000 3/14592 780.0 0.087 0.034 0.080 0.000 0.021 0.000 3/14592 790.0 0.086 0.034 0.079 0.000 0.020 0.000 3/14592 800.0 0.085 0.033 0.078 0.000 0.020 0.000 3/14592 810.0 0.084 0.033 0.077 0.000 0.020 0.000 3/14592 820.0 0.083 0.032 0.077 0.000 0.020 0.000 3/14592 830.0 0.082 0.032 0.076 0.000 0.019 0.000 3/14592 840.0 0.081 0.032 0.075 0.000 0.019 0.000 3/14592 850.0 0.080 0.031 0.074 0.000 0.019 0.000 3/14592 860.0 0.079 0.031 0.073 0.000 0.019 0.000 3/14592 870.0 0.078 0.031 0.072 0.000 0.018 0.000 3/14592 880.0 0.078 0.030 0.071 0.000 0.018 0.000 3/14592 890.0 0.077 0.030 0.071 0.000 0.018 0.000 3/14592 900.0 0.076 0.029 0.070 0.000 0.018 0.000 3/14592 910.0 0.075 0.029 0.069 0.000 0.018 0.000 3/14592 920.0 0.074 0.029 0.068 0.000 0.018 0.000 3/14592 930.0 0.073 0.029 0.068 0.000 0.017 0.000 3/14592 940.0 0.073 0.028 0.067 0.000 0.017 0.000 3/14592 950.0 0.072 0.028 0.066 0.000 0.017 0.000 3/14592 960.0 0.071 0.028 0.066 0.000 0.017 0.000 3/14592 970.0 0.070 0.027 0.065 0.000 0.017 0.000 3/14592 980.0 0.070 0.027 0.064 0.000 0.016 0.000 3/14592 990.0 0.069 0.027 0.064 0.000 0.016 0.000 3/14592 1000.0 0.068 0.027 0.063 0.000 0.016 0.000 3/14592 Thermal conductivity related properties were written into "kappa-m444.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:50:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|