----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:34:48]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.180454240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.185592600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.892936710000001 Atomic positions (fractional): *1 Mg 0.50000000000000 0.00000000000000 0.17489954022571 24.305 *2 Mg 0.33753031934688 0.17412476782437 0.00000000000000 24.305 3 Mg 0.83753031934688 0.32587523217564 0.50000000000000 24.305 *4 Mg 0.34158792798850 0.32219648253353 0.67631449198634 24.305 5 Mg 0.00000000000000 0.50000000000000 0.32510045977429 24.305 6 Mg 0.16246968065312 0.67412476782436 0.50000000000000 24.305 *7 Mg 0.00000000000000 0.00000000000000 0.66050005719746 24.305 8 Mg 0.65841207201150 0.67780351746647 0.32368550801366 24.305 9 Mg 0.15841207201150 0.82219648253353 0.17631449198634 24.305 10 Mg 0.50000000000000 0.00000000000000 0.82510045977429 24.305 11 Mg 0.00000000000000 0.00000000000000 0.33949994280254 24.305 12 Mg 0.15841207201150 0.82219648253353 0.82368550801366 24.305 13 Mg 0.00000000000000 0.50000000000000 0.67489954022571 24.305 14 Mg 0.84158792798850 0.17780351746647 0.82368550801366 24.305 15 Mg 0.66246968065312 0.82587523217564 0.00000000000000 24.305 16 Mg 0.50000000000000 0.50000000000000 0.16050005719746 24.305 17 Mg 0.34158792798850 0.32219648253353 0.32368550801366 24.305 18 Mg 0.50000000000000 0.50000000000000 0.83949994280254 24.305 19 Mg 0.84158792798850 0.17780351746647 0.17631449198634 24.305 20 Mg 0.65841207201150 0.67780351746647 0.67631449198634 24.305 *21 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 *22 Ge 0.48559104640740 0.87680248630749 0.50000000000000 72.640 23 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 24 Ge 0.01440895359260 0.37680248630749 0.00000000000000 72.640 25 Ge 0.98559104640740 0.62319751369251 0.00000000000000 72.640 26 Ge 0.51440895359260 0.12319751369251 0.50000000000000 72.640 *27 H 0.42483767074414 0.68878530961164 0.10154239133031 1.008 28 H 0.92483767074414 0.81121469038836 0.39845760866969 1.008 29 H 0.92483767074414 0.81121469038836 0.60154239133030 1.008 30 H 0.07516232925586 0.18878530961164 0.60154239133030 1.008 31 H 0.57516232925586 0.31121469038836 0.89845760866970 1.008 32 H 0.07516232925586 0.18878530961164 0.39845760866969 1.008 33 H 0.57516232925586 0.31121469038836 0.10154239133031 1.008 34 H 0.42483767074414 0.68878530961164 0.89845760866970 1.008 *35 O 0.68263177828251 0.08173109993148 0.00000000000000 15.999 *36 O 0.82544276955763 0.58397929063017 0.83421551500921 15.999 *37 O 0.68494928863201 0.41380474660452 0.00000000000000 15.999 38 O 0.82544276955763 0.58397929063017 0.16578448499079 15.999 *39 O 0.51890274763477 0.25402552765740 0.15762817650434 15.999 40 O 0.98109725236523 0.75402552765740 0.34237182349566 15.999 *41 O 0.00770172314826 0.25221264833474 0.00000000000000 15.999 *42 O 0.65095313383374 0.42359410770712 0.34948218365431 15.999 43 O 0.48109725236523 0.74597447234260 0.15762817650434 15.999 44 O 0.32544276955763 0.91602070936983 0.66578448499079 15.999 45 O 0.67455723044237 0.08397929063017 0.66578448499079 15.999 46 O 0.15095313383374 0.07640589229288 0.15051781634569 15.999 47 O 0.31505071136799 0.58619525339548 0.00000000000000 15.999 48 O 0.32544276955763 0.91602070936983 0.33421551500921 15.999 49 O 0.48109725236523 0.74597447234260 0.84237182349566 15.999 50 O 0.01890274763477 0.24597447234260 0.65762817650434 15.999 51 O 0.31736822171749 0.91826890006852 0.00000000000000 15.999 52 O 0.65095313383374 0.42359410770712 0.65051781634569 15.999 53 O 0.34904686616626 0.57640589229288 0.65051781634569 15.999 54 O 0.99229827685173 0.74778735166526 0.00000000000000 15.999 55 O 0.49229827685173 0.75221264833474 0.50000000000000 15.999 56 O 0.18494928863201 0.08619525339548 0.50000000000000 15.999 57 O 0.84904686616626 0.92359410770712 0.84948218365431 15.999 58 O 0.81736822171749 0.58173109993148 0.50000000000000 15.999 59 O 0.81505071136799 0.91380474660452 0.50000000000000 15.999 60 O 0.34904686616626 0.57640589229288 0.34948218365431 15.999 61 O 0.17455723044237 0.41602070936983 0.16578448499079 15.999 62 O 0.18263177828251 0.41826890006852 0.50000000000000 15.999 63 O 0.01890274763477 0.24597447234260 0.34237182349566 15.999 64 O 0.15095313383374 0.07640589229288 0.84948218365431 15.999 65 O 0.17455723044237 0.41602070936983 0.83421551500921 15.999 66 O 0.84904686616626 0.92359410770712 0.15051781634569 15.999 67 O 0.98109725236523 0.75402552765740 0.65762817650434 15.999 68 O 0.51890274763477 0.25402552765740 0.84237182349566 15.999 69 O 0.50770172314827 0.24778735166526 0.50000000000000 15.999 70 O 0.67455723044237 0.08397929063017 0.33421551500921 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.180454240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.185592600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.892936710000001 Atomic positions (fractional): *1 Mg 0.50000000000000 0.00000000000000 0.17489954022571 24.305 > 1 *2 Mg 0.33753031934688 0.17412476782437 0.00000000000000 24.305 > 2 3 Mg 0.83753031934688 0.32587523217564 0.50000000000000 24.305 > 3 *4 Mg 0.34158792798850 0.32219648253353 0.67631449198634 24.305 > 4 5 Mg 0.00000000000000 0.50000000000000 0.32510045977429 24.305 > 5 6 Mg 0.16246968065312 0.67412476782436 0.50000000000000 24.305 > 6 *7 Mg 0.00000000000000 0.00000000000000 0.66050005719746 24.305 > 7 8 Mg 0.65841207201150 0.67780351746647 0.32368550801366 24.305 > 8 9 Mg 0.15841207201150 0.82219648253353 0.17631449198634 24.305 > 9 10 Mg 0.50000000000000 0.00000000000000 0.82510045977429 24.305 > 10 11 Mg 0.00000000000000 0.00000000000000 0.33949994280254 24.305 > 11 12 Mg 0.15841207201150 0.82219648253353 0.82368550801366 24.305 > 12 13 Mg 0.00000000000000 0.50000000000000 0.67489954022571 24.305 > 13 14 Mg 0.84158792798850 0.17780351746647 0.82368550801366 24.305 > 14 15 Mg 0.66246968065312 0.82587523217564 0.00000000000000 24.305 > 15 16 Mg 0.50000000000000 0.50000000000000 0.16050005719746 24.305 > 16 17 Mg 0.34158792798850 0.32219648253353 0.32368550801366 24.305 > 17 18 Mg 0.50000000000000 0.50000000000000 0.83949994280254 24.305 > 18 19 Mg 0.84158792798850 0.17780351746647 0.17631449198634 24.305 > 19 20 Mg 0.65841207201150 0.67780351746647 0.67631449198634 24.305 > 20 *21 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 21 *22 Ge 0.48559104640740 0.87680248630749 0.50000000000000 72.640 > 22 23 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 23 24 Ge 0.01440895359260 0.37680248630749 0.00000000000000 72.640 > 24 25 Ge 0.98559104640740 0.62319751369251 0.00000000000000 72.640 > 25 26 Ge 0.51440895359260 0.12319751369251 0.50000000000000 72.640 > 26 *27 H 0.42483767074414 0.68878530961164 0.10154239133031 1.008 > 27 28 H 0.92483767074414 0.81121469038836 0.39845760866969 1.008 > 28 29 H 0.92483767074414 0.81121469038836 0.60154239133030 1.008 > 29 30 H 0.07516232925586 0.18878530961164 0.60154239133030 1.008 > 30 31 H 0.57516232925586 0.31121469038836 0.89845760866970 1.008 > 31 32 H 0.07516232925586 0.18878530961164 0.39845760866969 1.008 > 32 33 H 0.57516232925586 0.31121469038836 0.10154239133031 1.008 > 33 34 H 0.42483767074414 0.68878530961164 0.89845760866970 1.008 > 34 *35 O 0.68263177828251 0.08173109993148 0.00000000000000 15.999 > 35 *36 O 0.82544276955763 0.58397929063017 0.83421551500921 15.999 > 36 *37 O 0.68494928863201 0.41380474660452 0.00000000000000 15.999 > 37 38 O 0.82544276955763 0.58397929063017 0.16578448499079 15.999 > 38 *39 O 0.51890274763477 0.25402552765740 0.15762817650434 15.999 > 39 40 O 0.98109725236523 0.75402552765740 0.34237182349566 15.999 > 40 *41 O 0.00770172314826 0.25221264833474 0.00000000000000 15.999 > 41 *42 O 0.65095313383374 0.42359410770712 0.34948218365431 15.999 > 42 43 O 0.48109725236523 0.74597447234260 0.15762817650434 15.999 > 43 44 O 0.32544276955763 0.91602070936983 0.66578448499079 15.999 > 44 45 O 0.67455723044237 0.08397929063017 0.66578448499079 15.999 > 45 46 O 0.15095313383374 0.07640589229288 0.15051781634569 15.999 > 46 47 O 0.31505071136799 0.58619525339548 0.00000000000000 15.999 > 47 48 O 0.32544276955763 0.91602070936983 0.33421551500921 15.999 > 48 49 O 0.48109725236523 0.74597447234260 0.84237182349566 15.999 > 49 50 O 0.01890274763477 0.24597447234260 0.65762817650434 15.999 > 50 51 O 0.31736822171749 0.91826890006852 0.00000000000000 15.999 > 51 52 O 0.65095313383374 0.42359410770712 0.65051781634569 15.999 > 52 53 O 0.34904686616626 0.57640589229288 0.65051781634569 15.999 > 53 54 O 0.99229827685173 0.74778735166526 0.00000000000000 15.999 > 54 55 O 0.49229827685173 0.75221264833474 0.50000000000000 15.999 > 55 56 O 0.18494928863201 0.08619525339548 0.50000000000000 15.999 > 56 57 O 0.84904686616626 0.92359410770712 0.84948218365431 15.999 > 57 58 O 0.81736822171749 0.58173109993148 0.50000000000000 15.999 > 58 59 O 0.81505071136799 0.91380474660452 0.50000000000000 15.999 > 59 60 O 0.34904686616626 0.57640589229288 0.34948218365431 15.999 > 60 61 O 0.17455723044237 0.41602070936983 0.16578448499079 15.999 > 61 62 O 0.18263177828251 0.41826890006852 0.50000000000000 15.999 > 62 63 O 0.01890274763477 0.24597447234260 0.34237182349566 15.999 > 63 64 O 0.15095313383374 0.07640589229288 0.84948218365431 15.999 > 64 65 O 0.17455723044237 0.41602070936983 0.83421551500921 15.999 > 65 66 O 0.84904686616626 0.92359410770712 0.15051781634569 15.999 > 66 67 O 0.98109725236523 0.75402552765740 0.65762817650434 15.999 > 67 68 O 0.51890274763477 0.25402552765740 0.84237182349566 15.999 > 68 69 O 0.50770172314827 0.24778735166526 0.50000000000000 15.999 > 69 70 O 0.67455723044237 0.08397929063017 0.33421551500921 15.999 > 70 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.360908480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.185592600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.892936710000001 Atomic positions (fractional): *1 Mg 0.25000000000000 0.00000000000000 0.17489954022571 24.305 > 1 2 Mg 0.75000000000000 0.00000000000000 0.17489954022571 24.305 > 1 *3 Mg 0.16876515967344 0.17412476782437 0.00000000000000 24.305 > 2 4 Mg 0.66876515967344 0.17412476782437 0.00000000000000 24.305 > 2 5 Mg 0.41876515967344 0.32587523217564 0.50000000000000 24.305 > 3 6 Mg 0.91876515967344 0.32587523217564 0.50000000000000 24.305 > 3 *7 Mg 0.17079396399425 0.32219648253353 0.67631449198634 24.305 > 4 8 Mg 0.67079396399425 0.32219648253353 0.67631449198634 24.305 > 4 9 Mg 0.00000000000000 0.50000000000000 0.32510045977429 24.305 > 5 10 Mg 0.50000000000000 0.50000000000000 0.32510045977429 24.305 > 5 11 Mg 0.08123484032656 0.67412476782436 0.50000000000000 24.305 > 6 12 Mg 0.58123484032656 0.67412476782436 0.50000000000000 24.305 > 6 *13 Mg 0.00000000000000 0.00000000000000 0.66050005719746 24.305 > 7 14 Mg 0.50000000000000 0.00000000000000 0.66050005719746 24.305 > 7 15 Mg 0.32920603600575 0.67780351746647 0.32368550801366 24.305 > 8 16 Mg 0.82920603600575 0.67780351746647 0.32368550801366 24.305 > 8 17 Mg 0.07920603600575 0.82219648253353 0.17631449198634 24.305 > 9 18 Mg 0.57920603600575 0.82219648253353 0.17631449198634 24.305 > 9 19 Mg 0.25000000000000 0.00000000000000 0.82510045977429 24.305 > 10 20 Mg 0.75000000000000 0.00000000000000 0.82510045977429 24.305 > 10 21 Mg 0.00000000000000 0.00000000000000 0.33949994280254 24.305 > 11 22 Mg 0.50000000000000 0.00000000000000 0.33949994280254 24.305 > 11 23 Mg 0.07920603600575 0.82219648253353 0.82368550801366 24.305 > 12 24 Mg 0.57920603600575 0.82219648253353 0.82368550801366 24.305 > 12 25 Mg 0.00000000000000 0.50000000000000 0.67489954022571 24.305 > 13 26 Mg 0.50000000000000 0.50000000000000 0.67489954022571 24.305 > 13 27 Mg 0.42079396399425 0.17780351746647 0.82368550801366 24.305 > 14 28 Mg 0.92079396399425 0.17780351746647 0.82368550801366 24.305 > 14 29 Mg 0.33123484032656 0.82587523217564 0.00000000000000 24.305 > 15 30 Mg 0.83123484032656 0.82587523217564 0.00000000000000 24.305 > 15 31 Mg 0.25000000000000 0.50000000000000 0.16050005719746 24.305 > 16 32 Mg 0.75000000000000 0.50000000000000 0.16050005719746 24.305 > 16 33 Mg 0.17079396399425 0.32219648253353 0.32368550801366 24.305 > 17 34 Mg 0.67079396399425 0.32219648253353 0.32368550801366 24.305 > 17 35 Mg 0.25000000000000 0.50000000000000 0.83949994280254 24.305 > 18 36 Mg 0.75000000000000 0.50000000000000 0.83949994280254 24.305 > 18 37 Mg 0.42079396399425 0.17780351746647 0.17631449198634 24.305 > 19 38 Mg 0.92079396399425 0.17780351746647 0.17631449198634 24.305 > 19 39 Mg 0.32920603600575 0.67780351746647 0.67631449198634 24.305 > 20 40 Mg 0.82920603600575 0.67780351746647 0.67631449198634 24.305 > 20 *41 Ge 0.25000000000000 0.50000000000000 0.50000000000000 72.640 > 21 42 Ge 0.75000000000000 0.50000000000000 0.50000000000000 72.640 > 21 *43 Ge 0.24279552320370 0.87680248630749 0.50000000000000 72.640 > 22 44 Ge 0.74279552320370 0.87680248630749 0.50000000000000 72.640 > 22 45 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 23 46 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 23 47 Ge 0.00720447679630 0.37680248630749 0.00000000000000 72.640 > 24 48 Ge 0.50720447679630 0.37680248630749 0.00000000000000 72.640 > 24 49 Ge 0.49279552320370 0.62319751369251 0.00000000000000 72.640 > 25 50 Ge 0.99279552320370 0.62319751369251 0.00000000000000 72.640 > 25 51 Ge 0.25720447679630 0.12319751369251 0.50000000000000 72.640 > 26 52 Ge 0.75720447679630 0.12319751369251 0.50000000000000 72.640 > 26 *53 H 0.21241883537207 0.68878530961164 0.10154239133031 1.008 > 27 54 H 0.71241883537207 0.68878530961164 0.10154239133031 1.008 > 27 55 H 0.46241883537207 0.81121469038836 0.39845760866969 1.008 > 28 56 H 0.96241883537207 0.81121469038836 0.39845760866969 1.008 > 28 57 H 0.46241883537207 0.81121469038836 0.60154239133030 1.008 > 29 58 H 0.96241883537207 0.81121469038836 0.60154239133030 1.008 > 29 59 H 0.03758116462793 0.18878530961164 0.60154239133030 1.008 > 30 60 H 0.53758116462793 0.18878530961164 0.60154239133030 1.008 > 30 61 H 0.28758116462793 0.31121469038836 0.89845760866970 1.008 > 31 62 H 0.78758116462793 0.31121469038836 0.89845760866970 1.008 > 31 63 H 0.03758116462793 0.18878530961164 0.39845760866969 1.008 > 32 64 H 0.53758116462793 0.18878530961164 0.39845760866969 1.008 > 32 65 H 0.28758116462793 0.31121469038836 0.10154239133031 1.008 > 33 66 H 0.78758116462793 0.31121469038836 0.10154239133031 1.008 > 33 67 H 0.21241883537207 0.68878530961164 0.89845760866970 1.008 > 34 68 H 0.71241883537207 0.68878530961164 0.89845760866970 1.008 > 34 *69 O 0.34131588914126 0.08173109993148 0.00000000000000 15.999 > 35 70 O 0.84131588914126 0.08173109993148 0.00000000000000 15.999 > 35 *71 O 0.41272138477882 0.58397929063017 0.83421551500921 15.999 > 36 72 O 0.91272138477882 0.58397929063017 0.83421551500921 15.999 > 36 *73 O 0.34247464431600 0.41380474660452 0.00000000000000 15.999 > 37 74 O 0.84247464431600 0.41380474660452 0.00000000000000 15.999 > 37 75 O 0.41272138477882 0.58397929063017 0.16578448499079 15.999 > 38 76 O 0.91272138477882 0.58397929063017 0.16578448499079 15.999 > 38 *77 O 0.25945137381739 0.25402552765740 0.15762817650434 15.999 > 39 78 O 0.75945137381739 0.25402552765740 0.15762817650434 15.999 > 39 79 O 0.49054862618261 0.75402552765740 0.34237182349566 15.999 > 40 80 O 0.99054862618261 0.75402552765740 0.34237182349566 15.999 > 40 *81 O 0.00385086157413 0.25221264833474 0.00000000000000 15.999 > 41 82 O 0.50385086157413 0.25221264833474 0.00000000000000 15.999 > 41 *83 O 0.32547656691687 0.42359410770712 0.34948218365431 15.999 > 42 84 O 0.82547656691687 0.42359410770712 0.34948218365431 15.999 > 42 85 O 0.24054862618261 0.74597447234260 0.15762817650434 15.999 > 43 86 O 0.74054862618261 0.74597447234260 0.15762817650434 15.999 > 43 87 O 0.16272138477882 0.91602070936983 0.66578448499079 15.999 > 44 88 O 0.66272138477882 0.91602070936983 0.66578448499079 15.999 > 44 89 O 0.33727861522118 0.08397929063017 0.66578448499079 15.999 > 45 90 O 0.83727861522118 0.08397929063017 0.66578448499079 15.999 > 45 91 O 0.07547656691687 0.07640589229288 0.15051781634569 15.999 > 46 92 O 0.57547656691687 0.07640589229288 0.15051781634569 15.999 > 46 93 O 0.15752535568400 0.58619525339548 0.00000000000000 15.999 > 47 94 O 0.65752535568400 0.58619525339548 0.00000000000000 15.999 > 47 95 O 0.16272138477882 0.91602070936983 0.33421551500921 15.999 > 48 96 O 0.66272138477882 0.91602070936983 0.33421551500921 15.999 > 48 97 O 0.24054862618261 0.74597447234260 0.84237182349566 15.999 > 49 98 O 0.74054862618261 0.74597447234260 0.84237182349566 15.999 > 49 99 O 0.00945137381739 0.24597447234260 0.65762817650434 15.999 > 50 100 O 0.50945137381739 0.24597447234260 0.65762817650434 15.999 > 50 101 O 0.15868411085874 0.91826890006852 0.00000000000000 15.999 > 51 102 O 0.65868411085874 0.91826890006852 0.00000000000000 15.999 > 51 103 O 0.32547656691687 0.42359410770712 0.65051781634569 15.999 > 52 104 O 0.82547656691687 0.42359410770712 0.65051781634569 15.999 > 52 105 O 0.17452343308313 0.57640589229288 0.65051781634569 15.999 > 53 106 O 0.67452343308313 0.57640589229288 0.65051781634569 15.999 > 53 107 O 0.49614913842587 0.74778735166526 0.00000000000000 15.999 > 54 108 O 0.99614913842587 0.74778735166526 0.00000000000000 15.999 > 54 109 O 0.24614913842587 0.75221264833474 0.50000000000000 15.999 > 55 110 O 0.74614913842587 0.75221264833474 0.50000000000000 15.999 > 55 111 O 0.09247464431600 0.08619525339548 0.50000000000000 15.999 > 56 112 O 0.59247464431600 0.08619525339548 0.50000000000000 15.999 > 56 113 O 0.42452343308313 0.92359410770712 0.84948218365431 15.999 > 57 114 O 0.92452343308313 0.92359410770712 0.84948218365431 15.999 > 57 115 O 0.40868411085874 0.58173109993148 0.50000000000000 15.999 > 58 116 O 0.90868411085874 0.58173109993148 0.50000000000000 15.999 > 58 117 O 0.40752535568400 0.91380474660452 0.50000000000000 15.999 > 59 118 O 0.90752535568400 0.91380474660452 0.50000000000000 15.999 > 59 119 O 0.17452343308313 0.57640589229288 0.34948218365431 15.999 > 60 120 O 0.67452343308313 0.57640589229288 0.34948218365431 15.999 > 60 121 O 0.08727861522118 0.41602070936983 0.16578448499079 15.999 > 61 122 O 0.58727861522118 0.41602070936983 0.16578448499079 15.999 > 61 123 O 0.09131588914126 0.41826890006852 0.50000000000000 15.999 > 62 124 O 0.59131588914126 0.41826890006852 0.50000000000000 15.999 > 62 125 O 0.00945137381739 0.24597447234260 0.34237182349566 15.999 > 63 126 O 0.50945137381739 0.24597447234260 0.34237182349566 15.999 > 63 127 O 0.07547656691687 0.07640589229288 0.84948218365431 15.999 > 64 128 O 0.57547656691687 0.07640589229288 0.84948218365431 15.999 > 64 129 O 0.08727861522118 0.41602070936983 0.83421551500921 15.999 > 65 130 O 0.58727861522118 0.41602070936983 0.83421551500921 15.999 > 65 131 O 0.42452343308313 0.92359410770712 0.15051781634569 15.999 > 66 132 O 0.92452343308313 0.92359410770712 0.15051781634569 15.999 > 66 133 O 0.49054862618261 0.75402552765740 0.65762817650434 15.999 > 67 134 O 0.99054862618261 0.75402552765740 0.65762817650434 15.999 > 67 135 O 0.25945137381739 0.25402552765740 0.84237182349566 15.999 > 68 136 O 0.75945137381739 0.25402552765740 0.84237182349566 15.999 > 68 137 O 0.25385086157413 0.24778735166526 0.50000000000000 15.999 > 69 138 O 0.75385086157413 0.24778735166526 0.50000000000000 15.999 > 69 139 O 0.33727861522118 0.08397929063017 0.33421551500921 15.999 > 70 140 O 0.83727861522118 0.08397929063017 0.33421551500921 15.999 > 70 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2480870 0.0000000 0.0000000 0.0000000 3.2517969 0.0000000 0.0000000 0.0000000 3.2481096 -------------------------- Born effective charges -------------------------- 1 Mg 2.1541904 0.0138015 0.0000000 0.1349858 1.7483743 0.0000000 -0.0000000 0.0000000 2.1929974 2 Mg 2.2120636 0.0713451 0.0000000 -0.0626757 2.3022855 0.0000000 -0.0000000 0.0000000 1.7298038 3 Mg 2.2120636 -0.0713451 0.0000000 0.0626757 2.3022855 0.0000000 -0.0000000 0.0000000 1.7298038 4 Mg 1.8795600 -0.0648150 -0.0780505 0.0216847 2.1356702 0.0845421 -0.0880064 0.0446360 2.1404349 5 Mg 2.1541904 -0.0138015 0.0000000 -0.1349858 1.7483743 0.0000000 -0.0000000 0.0000000 2.1929974 6 Mg 2.2120636 -0.0713451 0.0000000 0.0626757 2.3022855 0.0000000 -0.0000000 0.0000000 1.7298038 7 Mg 2.1475931 0.0558021 0.0000000 -0.0361309 1.9652560 0.0000000 -0.0000000 0.0000000 2.1610813 8 Mg 1.8795600 -0.0648150 -0.0780505 0.0216847 2.1356702 0.0845421 -0.0880064 0.0446360 2.1404349 9 Mg 1.8795600 0.0648150 0.0780505 -0.0216847 2.1356702 0.0845421 0.0880064 0.0446360 2.1404349 10 Mg 2.1541904 0.0138015 0.0000000 0.1349858 1.7483743 0.0000000 -0.0000000 0.0000000 2.1929974 11 Mg 2.1475931 0.0558021 0.0000000 -0.0361309 1.9652560 0.0000000 -0.0000000 0.0000000 2.1610813 12 Mg 1.8795600 0.0648150 -0.0780505 -0.0216847 2.1356702 -0.0845421 -0.0880064 -0.0446360 2.1404349 13 Mg 2.1541904 -0.0138015 0.0000000 -0.1349858 1.7483743 0.0000000 -0.0000000 0.0000000 2.1929974 14 Mg 1.8795600 0.0648150 0.0780505 -0.0216847 2.1356702 0.0845421 0.0880064 0.0446360 2.1404349 15 Mg 2.2120636 0.0713451 0.0000000 -0.0626757 2.3022855 0.0000000 -0.0000000 0.0000000 1.7298038 16 Mg 2.1475931 -0.0558021 0.0000000 0.0361309 1.9652560 0.0000000 -0.0000000 0.0000000 2.1610813 17 Mg 1.8795600 -0.0648150 0.0780505 0.0216847 2.1356702 -0.0845421 0.0880064 -0.0446360 2.1404349 18 Mg 2.1475931 -0.0558021 0.0000000 0.0361309 1.9652560 0.0000000 -0.0000000 0.0000000 2.1610813 19 Mg 1.8795600 0.0648150 -0.0780505 -0.0216847 2.1356702 -0.0845421 -0.0880064 -0.0446360 2.1404349 20 Mg 1.8795600 -0.0648150 0.0780505 0.0216847 2.1356702 -0.0845421 0.0880064 -0.0446360 2.1404349 21 Ge 3.7599480 0.1681466 0.0000000 0.2160204 3.4368854 0.0000000 -0.0000000 0.0000000 3.4750021 22 Ge 3.2566537 0.0158138 0.0000000 -0.1276742 3.1644450 0.0000000 -0.0000000 0.0000000 3.0706320 23 Ge 3.7599480 -0.1681466 0.0000000 -0.2160204 3.4368854 0.0000000 -0.0000000 0.0000000 3.4750021 24 Ge 3.2566537 -0.0158138 0.0000000 0.1276742 3.1644450 0.0000000 -0.0000000 0.0000000 3.0706320 25 Ge 3.2566537 -0.0158138 0.0000000 0.1276742 3.1644450 0.0000000 -0.0000000 0.0000000 3.0706320 26 Ge 3.2566537 0.0158138 0.0000000 -0.1276742 3.1644450 0.0000000 -0.0000000 0.0000000 3.0706320 27 H 0.4498530 0.2248206 0.1876119 0.1616484 0.7530164 0.2382555 0.1228310 0.2457061 0.5229236 28 H 0.4498530 -0.2248206 -0.1876119 -0.1616484 0.7530164 0.2382555 -0.1228310 0.2457061 0.5229236 29 H 0.4498530 -0.2248206 0.1876119 -0.1616484 0.7530164 -0.2382555 0.1228310 -0.2457061 0.5229236 30 H 0.4498530 -0.2248206 -0.1876119 -0.1616484 0.7530164 0.2382555 -0.1228310 0.2457061 0.5229236 31 H 0.4498530 0.2248206 0.1876119 0.1616484 0.7530164 0.2382555 0.1228310 0.2457061 0.5229236 32 H 0.4498530 -0.2248206 0.1876119 -0.1616484 0.7530164 -0.2382555 0.1228310 -0.2457061 0.5229236 33 H 0.4498530 0.2248206 -0.1876119 0.1616484 0.7530164 -0.2382555 -0.1228310 -0.2457061 0.5229236 34 H 0.4498530 0.2248206 -0.1876119 0.1616484 0.7530164 -0.2382555 -0.1228310 -0.2457061 0.5229236 35 O -2.3298459 0.2783380 0.0000000 0.2845917 -1.9944573 0.0000000 -0.0000000 0.0000000 -1.8190886 36 O -1.7594117 -0.0699489 -0.3742247 -0.1291373 -1.6214286 -0.2613487 -0.3615910 -0.2220703 -2.1787421 37 O -2.2003284 0.1675070 0.0000000 0.1466350 -1.9726108 0.0000000 -0.0000000 0.0000000 -1.5799021 38 O -1.7594117 -0.0699489 0.3742247 -0.1291373 -1.6214286 0.2613487 0.3615910 0.2220703 -2.1787421 39 O -1.4481454 -0.0245694 0.1277569 -0.0001853 -1.6613215 0.0548231 0.0376608 0.0362203 -1.5118230 40 O -1.4481454 0.0245694 0.1277569 0.0001853 -1.6613215 -0.0548231 0.0376608 -0.0362203 -1.5118230 41 O -1.5507974 -0.0081172 0.0000000 0.0063252 -2.4058169 0.0000000 -0.0000000 0.0000000 -1.4394106 42 O -1.9066074 0.0601206 0.0785062 0.0103825 -1.8688957 -0.1057045 0.0698943 -0.0944110 -1.9996007 43 O -1.4481454 -0.0245694 -0.1277569 -0.0001853 -1.6613215 -0.0548231 -0.0376608 -0.0362203 -1.5118230 44 O -1.7594117 0.0699489 0.3742247 0.1291373 -1.6214286 -0.2613487 0.3615910 -0.2220703 -2.1787421 45 O -1.7594117 0.0699489 -0.3742247 0.1291373 -1.6214286 0.2613487 -0.3615910 0.2220703 -2.1787421 46 O -1.9066074 -0.0601206 -0.0785062 -0.0103825 -1.8688957 -0.1057045 -0.0698943 -0.0944110 -1.9996007 47 O -2.2003284 0.1675070 0.0000000 0.1466350 -1.9726108 0.0000000 -0.0000000 0.0000000 -1.5799021 48 O -1.7594117 0.0699489 -0.3742247 0.1291373 -1.6214286 0.2613487 -0.3615910 0.2220703 -2.1787421 49 O -1.4481454 -0.0245694 0.1277569 -0.0001853 -1.6613215 0.0548231 0.0376608 0.0362203 -1.5118230 50 O -1.4481454 0.0245694 0.1277569 0.0001853 -1.6613215 -0.0548231 0.0376608 -0.0362203 -1.5118230 51 O -2.3298459 0.2783380 0.0000000 0.2845917 -1.9944573 0.0000000 -0.0000000 0.0000000 -1.8190886 52 O -1.9066074 0.0601206 -0.0785062 0.0103825 -1.8688957 0.1057045 -0.0698943 0.0944110 -1.9996007 53 O -1.9066074 0.0601206 0.0785062 0.0103825 -1.8688957 -0.1057045 0.0698943 -0.0944110 -1.9996007 54 O -1.5507974 -0.0081172 0.0000000 0.0063252 -2.4058169 0.0000000 -0.0000000 0.0000000 -1.4394106 55 O -1.5507974 0.0081172 0.0000000 -0.0063252 -2.4058169 0.0000000 -0.0000000 0.0000000 -1.4394106 56 O -2.2003284 -0.1675070 0.0000000 -0.1466350 -1.9726108 0.0000000 -0.0000000 0.0000000 -1.5799021 57 O -1.9066074 -0.0601206 -0.0785062 -0.0103825 -1.8688957 -0.1057045 -0.0698943 -0.0944110 -1.9996007 58 O -2.3298459 -0.2783380 0.0000000 -0.2845917 -1.9944573 0.0000000 -0.0000000 0.0000000 -1.8190886 59 O -2.2003284 -0.1675070 0.0000000 -0.1466350 -1.9726108 0.0000000 -0.0000000 0.0000000 -1.5799021 60 O -1.9066074 0.0601206 -0.0785062 0.0103825 -1.8688957 0.1057045 -0.0698943 0.0944110 -1.9996007 61 O -1.7594117 -0.0699489 -0.3742247 -0.1291373 -1.6214286 -0.2613487 -0.3615910 -0.2220703 -2.1787421 62 O -2.3298459 -0.2783380 0.0000000 -0.2845917 -1.9944573 0.0000000 -0.0000000 0.0000000 -1.8190886 63 O -1.4481454 0.0245694 -0.1277569 0.0001853 -1.6613215 0.0548231 -0.0376608 0.0362203 -1.5118230 64 O -1.9066074 -0.0601206 0.0785062 -0.0103825 -1.8688957 0.1057045 0.0698943 0.0944110 -1.9996007 65 O -1.7594117 -0.0699489 0.3742247 -0.1291373 -1.6214286 0.2613487 0.3615910 0.2220703 -2.1787421 66 O -1.9066074 -0.0601206 0.0785062 -0.0103825 -1.8688957 0.1057045 0.0698943 0.0944110 -1.9996007 67 O -1.4481454 0.0245694 -0.1277569 0.0001853 -1.6613215 0.0548231 -0.0376608 0.0362203 -1.5118230 68 O -1.4481454 -0.0245694 -0.1277569 -0.0001853 -1.6613215 -0.0548231 -0.0376608 -0.0362203 -1.5118230 69 O -1.5507974 0.0081172 0.0000000 -0.0063252 -2.4058169 0.0000000 -0.0000000 0.0000000 -1.4394106 70 O -1.7594117 0.0699489 0.3742247 0.1291373 -1.6214286 -0.2613487 0.3615910 -0.2220703 -2.1787421 ---------------------------------------------------------------------------- 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: 420/420 Permutation basis: 44310/44310 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5739 Number of blocks in projector: 5739 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: 1359 Use submatrix version of eigh solver. (1) Block: 500 / 1359 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1359 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1359 / 1359 (1) 337 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1092 Use submatrix version of eigh solver. (1) Block: 500 / 1092 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1092 / 1092 (2) Block: 250 / 592 (2) 241 eigenvectors found. (2) Block: 500 / 592 (2) 240 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1092 Use submatrix version of eigh solver. (1) Block: 500 / 1092 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1092 / 1092 (2) Block: 250 / 592 (2) 240 eigenvectors found. (2) Block: 500 / 592 (2) 240 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 732 / 732 (1) 219 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 732 / 732 (1) 219 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 732 / 732 (1) 219 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (5739, 5654), data: False |-- (732, 719), data: False |-- (732, 13), data: (732, 26) @ (26, 13) |-- (232, 219), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (732, 719), data: False |-- (732, 13), data: (732, 26) @ (26, 13) |-- (232, 219), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (732, 719), data: False |-- (732, 13), data: (732, 26) @ (26, 13) |-- (232, 219), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (1092, 1082), data: False |-- (1092, 10), data: (1092, 20) @ (20, 10) |-- (592, 582), data: False |-- (592, 18), data: (592, 28) @ (28, 18) |-- (92, 84), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1092, 1082), data: False |-- (1092, 10), data: (1092, 20) @ (20, 10) |-- (592, 582), data: False |-- (592, 17), data: (592, 27) @ (27, 17) |-- (92, 84), data: True |-- (250, 240), data: True |-- (250, 241), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1359, 1333), data: False |-- (1359, 48), data: (1359, 74) @ (74, 48) |-- (359, 337), data: True |-- (500, 474), data: False |-- (500, 20), data: (500, 46) @ (46, 20) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 140 / 140 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1120 - Time: 1.849 Solver_block: 200 / 1120 - Time: 1.720 Solver_block: 300 / 1120 - Time: 1.739 Solver_block: 400 / 1120 - Time: 1.719 Solver_block: 500 / 1120 - Time: 1.725 Solver_block: 600 / 1120 - Time: 1.734 Solver_block: 700 / 1120 - Time: 1.725 Solver_block: 800 / 1120 - Time: 1.735 Solver_block: 900 / 1120 - Time: 1.734 Solver_block: 1000 / 1120 - Time: 1.736 Solver_block: 1100 / 1120 - Time: 1.719 Solver_block: 1120 / 1120 - Time: 0.510 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.167 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xy) 0.00000000 (xy) Permutation basis: 420/420 Permutation basis: 44310/44310 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5739 Number of blocks in projector: 5739 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: 1359 Use submatrix version of eigh solver. (1) Block: 500 / 1359 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1359 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1359 / 1359 (1) 337 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1092 Use submatrix version of eigh solver. (1) Block: 500 / 1092 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1092 / 1092 (2) Block: 250 / 592 (2) 241 eigenvectors found. (2) Block: 500 / 592 (2) 240 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1092 Use submatrix version of eigh solver. (1) Block: 500 / 1092 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1092 / 1092 (2) Block: 250 / 592 (2) 240 eigenvectors found. (2) Block: 500 / 592 (2) 240 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 732 / 732 (1) 219 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 732 / 732 (1) 219 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 732 / 732 (1) 219 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (5739, 5654), data: False |-- (732, 719), data: False |-- (732, 13), data: (732, 26) @ (26, 13) |-- (232, 219), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (732, 719), data: False |-- (732, 13), data: (732, 26) @ (26, 13) |-- (232, 219), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (732, 719), data: False |-- (732, 13), data: (732, 26) @ (26, 13) |-- (232, 219), data: True |-- (500, 487), data: False |-- (500, 10), data: (500, 23) @ (23, 10) |-- (250, 240), data: True |-- (250, 237), data: True |-- (1092, 1082), data: False |-- (1092, 10), data: (1092, 20) @ (20, 10) |-- (592, 582), data: False |-- (592, 18), data: (592, 28) @ (28, 18) |-- (92, 84), data: True |-- (250, 240), data: True |-- (250, 240), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1092, 1082), data: False |-- (1092, 10), data: (1092, 20) @ (20, 10) |-- (592, 582), data: False |-- (592, 17), data: (592, 27) @ (27, 17) |-- (92, 84), data: True |-- (250, 240), data: True |-- (250, 241), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1359, 1333), data: False |-- (1359, 48), data: (1359, 74) @ (74, 48) |-- (359, 337), data: True |-- (500, 474), data: False |-- (500, 20), data: (500, 46) @ (46, 20) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xy) -0.00000000 (xy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:35:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:35:59]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.180454240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.185592600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.892936710000001 Atomic positions (fractional): 1 Mg 0.50000000000000 0.00000000000000 0.17489954022571 24.305 2 Mg 0.33753031934688 0.17412476782437 0.00000000000000 24.305 3 Mg 0.83753031934688 0.32587523217564 0.50000000000000 24.305 4 Mg 0.34158792798850 0.32219648253353 0.67631449198634 24.305 5 Mg 0.00000000000000 0.50000000000000 0.32510045977429 24.305 6 Mg 0.16246968065312 0.67412476782436 0.50000000000000 24.305 7 Mg 0.00000000000000 0.00000000000000 0.66050005719746 24.305 8 Mg 0.65841207201150 0.67780351746647 0.32368550801366 24.305 9 Mg 0.15841207201150 0.82219648253353 0.17631449198634 24.305 10 Mg 0.50000000000000 0.00000000000000 0.82510045977429 24.305 11 Mg 0.00000000000000 0.00000000000000 0.33949994280254 24.305 12 Mg 0.15841207201150 0.82219648253353 0.82368550801366 24.305 13 Mg 0.00000000000000 0.50000000000000 0.67489954022571 24.305 14 Mg 0.84158792798850 0.17780351746647 0.82368550801366 24.305 15 Mg 0.66246968065312 0.82587523217564 0.00000000000000 24.305 16 Mg 0.50000000000000 0.50000000000000 0.16050005719746 24.305 17 Mg 0.34158792798850 0.32219648253353 0.32368550801366 24.305 18 Mg 0.50000000000000 0.50000000000000 0.83949994280254 24.305 19 Mg 0.84158792798850 0.17780351746647 0.17631449198634 24.305 20 Mg 0.65841207201150 0.67780351746647 0.67631449198634 24.305 21 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 22 Ge 0.48559104640740 0.87680248630749 0.50000000000000 72.640 23 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 24 Ge 0.01440895359260 0.37680248630749 0.00000000000000 72.640 25 Ge 0.98559104640740 0.62319751369251 0.00000000000000 72.640 26 Ge 0.51440895359260 0.12319751369251 0.50000000000000 72.640 27 H 0.42483767074414 0.68878530961164 0.10154239133031 1.008 28 H 0.92483767074414 0.81121469038836 0.39845760866969 1.008 29 H 0.92483767074414 0.81121469038836 0.60154239133030 1.008 30 H 0.07516232925586 0.18878530961164 0.60154239133030 1.008 31 H 0.57516232925586 0.31121469038836 0.89845760866970 1.008 32 H 0.07516232925586 0.18878530961164 0.39845760866969 1.008 33 H 0.57516232925586 0.31121469038836 0.10154239133031 1.008 34 H 0.42483767074414 0.68878530961164 0.89845760866970 1.008 35 O 0.68263177828251 0.08173109993148 0.00000000000000 15.999 36 O 0.82544276955763 0.58397929063017 0.83421551500921 15.999 37 O 0.68494928863201 0.41380474660452 0.00000000000000 15.999 38 O 0.82544276955763 0.58397929063017 0.16578448499079 15.999 39 O 0.51890274763477 0.25402552765740 0.15762817650434 15.999 40 O 0.98109725236523 0.75402552765740 0.34237182349566 15.999 41 O 0.00770172314826 0.25221264833474 0.00000000000000 15.999 42 O 0.65095313383374 0.42359410770712 0.34948218365431 15.999 43 O 0.48109725236523 0.74597447234260 0.15762817650434 15.999 44 O 0.32544276955763 0.91602070936983 0.66578448499079 15.999 45 O 0.67455723044237 0.08397929063017 0.66578448499079 15.999 46 O 0.15095313383374 0.07640589229288 0.15051781634569 15.999 47 O 0.31505071136799 0.58619525339548 0.00000000000000 15.999 48 O 0.32544276955763 0.91602070936983 0.33421551500921 15.999 49 O 0.48109725236523 0.74597447234260 0.84237182349566 15.999 50 O 0.01890274763477 0.24597447234260 0.65762817650434 15.999 51 O 0.31736822171749 0.91826890006852 0.00000000000000 15.999 52 O 0.65095313383374 0.42359410770712 0.65051781634569 15.999 53 O 0.34904686616626 0.57640589229288 0.65051781634569 15.999 54 O 0.99229827685173 0.74778735166526 0.00000000000000 15.999 55 O 0.49229827685173 0.75221264833474 0.50000000000000 15.999 56 O 0.18494928863201 0.08619525339548 0.50000000000000 15.999 57 O 0.84904686616626 0.92359410770712 0.84948218365431 15.999 58 O 0.81736822171749 0.58173109993148 0.50000000000000 15.999 59 O 0.81505071136799 0.91380474660452 0.50000000000000 15.999 60 O 0.34904686616626 0.57640589229288 0.34948218365431 15.999 61 O 0.17455723044237 0.41602070936983 0.16578448499079 15.999 62 O 0.18263177828251 0.41826890006852 0.50000000000000 15.999 63 O 0.01890274763477 0.24597447234260 0.34237182349566 15.999 64 O 0.15095313383374 0.07640589229288 0.84948218365431 15.999 65 O 0.17455723044237 0.41602070936983 0.83421551500921 15.999 66 O 0.84904686616626 0.92359410770712 0.15051781634569 15.999 67 O 0.98109725236523 0.75402552765740 0.65762817650434 15.999 68 O 0.51890274763477 0.25402552765740 0.84237182349566 15.999 69 O 0.50770172314827 0.24778735166526 0.50000000000000 15.999 70 O 0.67455723044237 0.08397929063017 0.33421551500921 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.360908480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.185592600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.892936710000001 Atomic positions (fractional): 1 Mg 0.25000000000000 0.00000000000000 0.17489954022571 24.305 > 1 2 Mg 0.75000000000000 0.00000000000000 0.17489954022571 24.305 > 1 3 Mg 0.16876515967344 0.17412476782437 0.00000000000000 24.305 > 3 4 Mg 0.66876515967344 0.17412476782437 0.00000000000000 24.305 > 3 5 Mg 0.41876515967344 0.32587523217564 0.50000000000000 24.305 > 5 6 Mg 0.91876515967344 0.32587523217564 0.50000000000000 24.305 > 5 7 Mg 0.17079396399425 0.32219648253353 0.67631449198634 24.305 > 7 8 Mg 0.67079396399425 0.32219648253353 0.67631449198634 24.305 > 7 9 Mg 0.00000000000000 0.50000000000000 0.32510045977429 24.305 > 9 10 Mg 0.50000000000000 0.50000000000000 0.32510045977429 24.305 > 9 11 Mg 0.08123484032656 0.67412476782436 0.50000000000000 24.305 > 11 12 Mg 0.58123484032656 0.67412476782436 0.50000000000000 24.305 > 11 13 Mg 0.00000000000000 0.00000000000000 0.66050005719746 24.305 > 13 14 Mg 0.50000000000000 0.00000000000000 0.66050005719746 24.305 > 13 15 Mg 0.32920603600575 0.67780351746647 0.32368550801366 24.305 > 15 16 Mg 0.82920603600575 0.67780351746647 0.32368550801366 24.305 > 15 17 Mg 0.07920603600575 0.82219648253353 0.17631449198634 24.305 > 17 18 Mg 0.57920603600575 0.82219648253353 0.17631449198634 24.305 > 17 19 Mg 0.25000000000000 0.00000000000000 0.82510045977429 24.305 > 19 20 Mg 0.75000000000000 0.00000000000000 0.82510045977429 24.305 > 19 21 Mg 0.00000000000000 0.00000000000000 0.33949994280254 24.305 > 21 22 Mg 0.50000000000000 0.00000000000000 0.33949994280254 24.305 > 21 23 Mg 0.07920603600575 0.82219648253353 0.82368550801366 24.305 > 23 24 Mg 0.57920603600575 0.82219648253353 0.82368550801366 24.305 > 23 25 Mg 0.00000000000000 0.50000000000000 0.67489954022571 24.305 > 25 26 Mg 0.50000000000000 0.50000000000000 0.67489954022571 24.305 > 25 27 Mg 0.42079396399425 0.17780351746647 0.82368550801366 24.305 > 27 28 Mg 0.92079396399425 0.17780351746647 0.82368550801366 24.305 > 27 29 Mg 0.33123484032656 0.82587523217564 0.00000000000000 24.305 > 29 30 Mg 0.83123484032656 0.82587523217564 0.00000000000000 24.305 > 29 31 Mg 0.25000000000000 0.50000000000000 0.16050005719746 24.305 > 31 32 Mg 0.75000000000000 0.50000000000000 0.16050005719746 24.305 > 31 33 Mg 0.17079396399425 0.32219648253353 0.32368550801366 24.305 > 33 34 Mg 0.67079396399425 0.32219648253353 0.32368550801366 24.305 > 33 35 Mg 0.25000000000000 0.50000000000000 0.83949994280254 24.305 > 35 36 Mg 0.75000000000000 0.50000000000000 0.83949994280254 24.305 > 35 37 Mg 0.42079396399425 0.17780351746647 0.17631449198634 24.305 > 37 38 Mg 0.92079396399425 0.17780351746647 0.17631449198634 24.305 > 37 39 Mg 0.32920603600575 0.67780351746647 0.67631449198634 24.305 > 39 40 Mg 0.82920603600575 0.67780351746647 0.67631449198634 24.305 > 39 41 Ge 0.25000000000000 0.50000000000000 0.50000000000000 72.640 > 41 42 Ge 0.75000000000000 0.50000000000000 0.50000000000000 72.640 > 41 43 Ge 0.24279552320370 0.87680248630749 0.50000000000000 72.640 > 43 44 Ge 0.74279552320370 0.87680248630749 0.50000000000000 72.640 > 43 45 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 45 46 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 45 47 Ge 0.00720447679630 0.37680248630749 0.00000000000000 72.640 > 47 48 Ge 0.50720447679630 0.37680248630749 0.00000000000000 72.640 > 47 49 Ge 0.49279552320370 0.62319751369251 0.00000000000000 72.640 > 49 50 Ge 0.99279552320370 0.62319751369251 0.00000000000000 72.640 > 49 51 Ge 0.25720447679630 0.12319751369251 0.50000000000000 72.640 > 51 52 Ge 0.75720447679630 0.12319751369251 0.50000000000000 72.640 > 51 53 H 0.21241883537207 0.68878530961164 0.10154239133031 1.008 > 53 54 H 0.71241883537207 0.68878530961164 0.10154239133031 1.008 > 53 55 H 0.46241883537207 0.81121469038836 0.39845760866969 1.008 > 55 56 H 0.96241883537207 0.81121469038836 0.39845760866969 1.008 > 55 57 H 0.46241883537207 0.81121469038836 0.60154239133030 1.008 > 57 58 H 0.96241883537207 0.81121469038836 0.60154239133030 1.008 > 57 59 H 0.03758116462793 0.18878530961164 0.60154239133030 1.008 > 59 60 H 0.53758116462793 0.18878530961164 0.60154239133030 1.008 > 59 61 H 0.28758116462793 0.31121469038836 0.89845760866970 1.008 > 61 62 H 0.78758116462793 0.31121469038836 0.89845760866970 1.008 > 61 63 H 0.03758116462793 0.18878530961164 0.39845760866969 1.008 > 63 64 H 0.53758116462793 0.18878530961164 0.39845760866969 1.008 > 63 65 H 0.28758116462793 0.31121469038836 0.10154239133031 1.008 > 65 66 H 0.78758116462793 0.31121469038836 0.10154239133031 1.008 > 65 67 H 0.21241883537207 0.68878530961164 0.89845760866970 1.008 > 67 68 H 0.71241883537207 0.68878530961164 0.89845760866970 1.008 > 67 69 O 0.34131588914126 0.08173109993148 0.00000000000000 15.999 > 69 70 O 0.84131588914126 0.08173109993148 0.00000000000000 15.999 > 69 71 O 0.41272138477882 0.58397929063017 0.83421551500921 15.999 > 71 72 O 0.91272138477882 0.58397929063017 0.83421551500921 15.999 > 71 73 O 0.34247464431600 0.41380474660452 0.00000000000000 15.999 > 73 74 O 0.84247464431600 0.41380474660452 0.00000000000000 15.999 > 73 75 O 0.41272138477882 0.58397929063017 0.16578448499079 15.999 > 75 76 O 0.91272138477882 0.58397929063017 0.16578448499079 15.999 > 75 77 O 0.25945137381739 0.25402552765740 0.15762817650434 15.999 > 77 78 O 0.75945137381739 0.25402552765740 0.15762817650434 15.999 > 77 79 O 0.49054862618261 0.75402552765740 0.34237182349566 15.999 > 79 80 O 0.99054862618261 0.75402552765740 0.34237182349566 15.999 > 79 81 O 0.00385086157413 0.25221264833474 0.00000000000000 15.999 > 81 82 O 0.50385086157413 0.25221264833474 0.00000000000000 15.999 > 81 83 O 0.32547656691687 0.42359410770712 0.34948218365431 15.999 > 83 84 O 0.82547656691687 0.42359410770712 0.34948218365431 15.999 > 83 85 O 0.24054862618261 0.74597447234260 0.15762817650434 15.999 > 85 86 O 0.74054862618261 0.74597447234260 0.15762817650434 15.999 > 85 87 O 0.16272138477882 0.91602070936983 0.66578448499079 15.999 > 87 88 O 0.66272138477882 0.91602070936983 0.66578448499079 15.999 > 87 89 O 0.33727861522118 0.08397929063017 0.66578448499079 15.999 > 89 90 O 0.83727861522118 0.08397929063017 0.66578448499079 15.999 > 89 91 O 0.07547656691687 0.07640589229288 0.15051781634569 15.999 > 91 92 O 0.57547656691687 0.07640589229288 0.15051781634569 15.999 > 91 93 O 0.15752535568400 0.58619525339548 0.00000000000000 15.999 > 93 94 O 0.65752535568400 0.58619525339548 0.00000000000000 15.999 > 93 95 O 0.16272138477882 0.91602070936983 0.33421551500921 15.999 > 95 96 O 0.66272138477882 0.91602070936983 0.33421551500921 15.999 > 95 97 O 0.24054862618261 0.74597447234260 0.84237182349566 15.999 > 97 98 O 0.74054862618261 0.74597447234260 0.84237182349566 15.999 > 97 99 O 0.00945137381739 0.24597447234260 0.65762817650434 15.999 > 99 100 O 0.50945137381739 0.24597447234260 0.65762817650434 15.999 > 99 101 O 0.15868411085874 0.91826890006852 0.00000000000000 15.999 > 101 102 O 0.65868411085874 0.91826890006852 0.00000000000000 15.999 > 101 103 O 0.32547656691687 0.42359410770712 0.65051781634569 15.999 > 103 104 O 0.82547656691687 0.42359410770712 0.65051781634569 15.999 > 103 105 O 0.17452343308313 0.57640589229288 0.65051781634569 15.999 > 105 106 O 0.67452343308313 0.57640589229288 0.65051781634569 15.999 > 105 107 O 0.49614913842587 0.74778735166526 0.00000000000000 15.999 > 107 108 O 0.99614913842587 0.74778735166526 0.00000000000000 15.999 > 107 109 O 0.24614913842587 0.75221264833474 0.50000000000000 15.999 > 109 110 O 0.74614913842587 0.75221264833474 0.50000000000000 15.999 > 109 111 O 0.09247464431600 0.08619525339548 0.50000000000000 15.999 > 111 112 O 0.59247464431600 0.08619525339548 0.50000000000000 15.999 > 111 113 O 0.42452343308313 0.92359410770712 0.84948218365431 15.999 > 113 114 O 0.92452343308313 0.92359410770712 0.84948218365431 15.999 > 113 115 O 0.40868411085874 0.58173109993148 0.50000000000000 15.999 > 115 116 O 0.90868411085874 0.58173109993148 0.50000000000000 15.999 > 115 117 O 0.40752535568400 0.91380474660452 0.50000000000000 15.999 > 117 118 O 0.90752535568400 0.91380474660452 0.50000000000000 15.999 > 117 119 O 0.17452343308313 0.57640589229288 0.34948218365431 15.999 > 119 120 O 0.67452343308313 0.57640589229288 0.34948218365431 15.999 > 119 121 O 0.08727861522118 0.41602070936983 0.16578448499079 15.999 > 121 122 O 0.58727861522118 0.41602070936983 0.16578448499079 15.999 > 121 123 O 0.09131588914126 0.41826890006852 0.50000000000000 15.999 > 123 124 O 0.59131588914126 0.41826890006852 0.50000000000000 15.999 > 123 125 O 0.00945137381739 0.24597447234260 0.34237182349566 15.999 > 125 126 O 0.50945137381739 0.24597447234260 0.34237182349566 15.999 > 125 127 O 0.07547656691687 0.07640589229288 0.84948218365431 15.999 > 127 128 O 0.57547656691687 0.07640589229288 0.84948218365431 15.999 > 127 129 O 0.08727861522118 0.41602070936983 0.83421551500921 15.999 > 129 130 O 0.58727861522118 0.41602070936983 0.83421551500921 15.999 > 129 131 O 0.42452343308313 0.92359410770712 0.15051781634569 15.999 > 131 132 O 0.92452343308313 0.92359410770712 0.15051781634569 15.999 > 131 133 O 0.49054862618261 0.75402552765740 0.65762817650434 15.999 > 133 134 O 0.99054862618261 0.75402552765740 0.65762817650434 15.999 > 133 135 O 0.25945137381739 0.25402552765740 0.84237182349566 15.999 > 135 136 O 0.75945137381739 0.25402552765740 0.84237182349566 15.999 > 135 137 O 0.25385086157413 0.24778735166526 0.50000000000000 15.999 > 137 138 O 0.75385086157413 0.24778735166526 0.50000000000000 15.999 > 137 139 O 0.33727861522118 0.08397929063017 0.33421551500921 15.999 > 139 140 O 0.83727861522118 0.08397929063017 0.33421551500921 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2480870 0.0000000 0.0000000 0.0000000 3.2517969 0.0000000 0.0000000 0.0000000 3.2481096 -------------------------- Born effective charges -------------------------- 1 Mg 2.1541904 0.0138015 0.0000000 0.1349858 1.7483743 0.0000000 -0.0000000 0.0000000 2.1929974 2 Mg 2.2120636 0.0713451 0.0000000 -0.0626757 2.3022855 0.0000000 -0.0000000 0.0000000 1.7298038 3 Mg 2.2120636 -0.0713451 0.0000000 0.0626757 2.3022855 0.0000000 -0.0000000 0.0000000 1.7298038 4 Mg 1.8795600 -0.0648150 -0.0780505 0.0216847 2.1356702 0.0845421 -0.0880064 0.0446360 2.1404349 5 Mg 2.1541904 -0.0138015 0.0000000 -0.1349858 1.7483743 0.0000000 -0.0000000 0.0000000 2.1929974 6 Mg 2.2120636 -0.0713451 0.0000000 0.0626757 2.3022855 0.0000000 -0.0000000 0.0000000 1.7298038 7 Mg 2.1475931 0.0558021 0.0000000 -0.0361309 1.9652560 0.0000000 -0.0000000 0.0000000 2.1610813 8 Mg 1.8795600 -0.0648150 -0.0780505 0.0216847 2.1356702 0.0845421 -0.0880064 0.0446360 2.1404349 9 Mg 1.8795600 0.0648150 0.0780505 -0.0216847 2.1356702 0.0845421 0.0880064 0.0446360 2.1404349 10 Mg 2.1541904 0.0138015 0.0000000 0.1349858 1.7483743 0.0000000 -0.0000000 0.0000000 2.1929974 11 Mg 2.1475931 0.0558021 0.0000000 -0.0361309 1.9652560 0.0000000 -0.0000000 0.0000000 2.1610813 12 Mg 1.8795600 0.0648150 -0.0780505 -0.0216847 2.1356702 -0.0845421 -0.0880064 -0.0446360 2.1404349 13 Mg 2.1541904 -0.0138015 0.0000000 -0.1349858 1.7483743 0.0000000 -0.0000000 0.0000000 2.1929974 14 Mg 1.8795600 0.0648150 0.0780505 -0.0216847 2.1356702 0.0845421 0.0880064 0.0446360 2.1404349 15 Mg 2.2120636 0.0713451 0.0000000 -0.0626757 2.3022855 0.0000000 -0.0000000 0.0000000 1.7298038 16 Mg 2.1475931 -0.0558021 0.0000000 0.0361309 1.9652560 0.0000000 -0.0000000 0.0000000 2.1610813 17 Mg 1.8795600 -0.0648150 0.0780505 0.0216847 2.1356702 -0.0845421 0.0880064 -0.0446360 2.1404349 18 Mg 2.1475931 -0.0558021 0.0000000 0.0361309 1.9652560 0.0000000 -0.0000000 0.0000000 2.1610813 19 Mg 1.8795600 0.0648150 -0.0780505 -0.0216847 2.1356702 -0.0845421 -0.0880064 -0.0446360 2.1404349 20 Mg 1.8795600 -0.0648150 0.0780505 0.0216847 2.1356702 -0.0845421 0.0880064 -0.0446360 2.1404349 21 Ge 3.7599480 0.1681466 0.0000000 0.2160204 3.4368854 0.0000000 -0.0000000 0.0000000 3.4750021 22 Ge 3.2566537 0.0158138 0.0000000 -0.1276742 3.1644450 0.0000000 -0.0000000 0.0000000 3.0706320 23 Ge 3.7599480 -0.1681466 0.0000000 -0.2160204 3.4368854 0.0000000 -0.0000000 0.0000000 3.4750021 24 Ge 3.2566537 -0.0158138 0.0000000 0.1276742 3.1644450 0.0000000 -0.0000000 0.0000000 3.0706320 25 Ge 3.2566537 -0.0158138 0.0000000 0.1276742 3.1644450 0.0000000 -0.0000000 0.0000000 3.0706320 26 Ge 3.2566537 0.0158138 0.0000000 -0.1276742 3.1644450 0.0000000 -0.0000000 0.0000000 3.0706320 27 H 0.4498530 0.2248206 0.1876119 0.1616484 0.7530164 0.2382555 0.1228310 0.2457061 0.5229236 28 H 0.4498530 -0.2248206 -0.1876119 -0.1616484 0.7530164 0.2382555 -0.1228310 0.2457061 0.5229236 29 H 0.4498530 -0.2248206 0.1876119 -0.1616484 0.7530164 -0.2382555 0.1228310 -0.2457061 0.5229236 30 H 0.4498530 -0.2248206 -0.1876119 -0.1616484 0.7530164 0.2382555 -0.1228310 0.2457061 0.5229236 31 H 0.4498530 0.2248206 0.1876119 0.1616484 0.7530164 0.2382555 0.1228310 0.2457061 0.5229236 32 H 0.4498530 -0.2248206 0.1876119 -0.1616484 0.7530164 -0.2382555 0.1228310 -0.2457061 0.5229236 33 H 0.4498530 0.2248206 -0.1876119 0.1616484 0.7530164 -0.2382555 -0.1228310 -0.2457061 0.5229236 34 H 0.4498530 0.2248206 -0.1876119 0.1616484 0.7530164 -0.2382555 -0.1228310 -0.2457061 0.5229236 35 O -2.3298459 0.2783380 0.0000000 0.2845917 -1.9944573 0.0000000 -0.0000000 0.0000000 -1.8190886 36 O -1.7594117 -0.0699489 -0.3742247 -0.1291373 -1.6214286 -0.2613487 -0.3615910 -0.2220703 -2.1787421 37 O -2.2003284 0.1675070 0.0000000 0.1466350 -1.9726108 0.0000000 -0.0000000 0.0000000 -1.5799021 38 O -1.7594117 -0.0699489 0.3742247 -0.1291373 -1.6214286 0.2613487 0.3615910 0.2220703 -2.1787421 39 O -1.4481454 -0.0245694 0.1277569 -0.0001853 -1.6613215 0.0548231 0.0376608 0.0362203 -1.5118230 40 O -1.4481454 0.0245694 0.1277569 0.0001853 -1.6613215 -0.0548231 0.0376608 -0.0362203 -1.5118230 41 O -1.5507974 -0.0081172 0.0000000 0.0063252 -2.4058169 0.0000000 -0.0000000 0.0000000 -1.4394106 42 O -1.9066074 0.0601206 0.0785062 0.0103825 -1.8688957 -0.1057045 0.0698943 -0.0944110 -1.9996007 43 O -1.4481454 -0.0245694 -0.1277569 -0.0001853 -1.6613215 -0.0548231 -0.0376608 -0.0362203 -1.5118230 44 O -1.7594117 0.0699489 0.3742247 0.1291373 -1.6214286 -0.2613487 0.3615910 -0.2220703 -2.1787421 45 O -1.7594117 0.0699489 -0.3742247 0.1291373 -1.6214286 0.2613487 -0.3615910 0.2220703 -2.1787421 46 O -1.9066074 -0.0601206 -0.0785062 -0.0103825 -1.8688957 -0.1057045 -0.0698943 -0.0944110 -1.9996007 47 O -2.2003284 0.1675070 0.0000000 0.1466350 -1.9726108 0.0000000 -0.0000000 0.0000000 -1.5799021 48 O -1.7594117 0.0699489 -0.3742247 0.1291373 -1.6214286 0.2613487 -0.3615910 0.2220703 -2.1787421 49 O -1.4481454 -0.0245694 0.1277569 -0.0001853 -1.6613215 0.0548231 0.0376608 0.0362203 -1.5118230 50 O -1.4481454 0.0245694 0.1277569 0.0001853 -1.6613215 -0.0548231 0.0376608 -0.0362203 -1.5118230 51 O -2.3298459 0.2783380 0.0000000 0.2845917 -1.9944573 0.0000000 -0.0000000 0.0000000 -1.8190886 52 O -1.9066074 0.0601206 -0.0785062 0.0103825 -1.8688957 0.1057045 -0.0698943 0.0944110 -1.9996007 53 O -1.9066074 0.0601206 0.0785062 0.0103825 -1.8688957 -0.1057045 0.0698943 -0.0944110 -1.9996007 54 O -1.5507974 -0.0081172 0.0000000 0.0063252 -2.4058169 0.0000000 -0.0000000 0.0000000 -1.4394106 55 O -1.5507974 0.0081172 0.0000000 -0.0063252 -2.4058169 0.0000000 -0.0000000 0.0000000 -1.4394106 56 O -2.2003284 -0.1675070 0.0000000 -0.1466350 -1.9726108 0.0000000 -0.0000000 0.0000000 -1.5799021 57 O -1.9066074 -0.0601206 -0.0785062 -0.0103825 -1.8688957 -0.1057045 -0.0698943 -0.0944110 -1.9996007 58 O -2.3298459 -0.2783380 0.0000000 -0.2845917 -1.9944573 0.0000000 -0.0000000 0.0000000 -1.8190886 59 O -2.2003284 -0.1675070 0.0000000 -0.1466350 -1.9726108 0.0000000 -0.0000000 0.0000000 -1.5799021 60 O -1.9066074 0.0601206 -0.0785062 0.0103825 -1.8688957 0.1057045 -0.0698943 0.0944110 -1.9996007 61 O -1.7594117 -0.0699489 -0.3742247 -0.1291373 -1.6214286 -0.2613487 -0.3615910 -0.2220703 -2.1787421 62 O -2.3298459 -0.2783380 0.0000000 -0.2845917 -1.9944573 0.0000000 -0.0000000 0.0000000 -1.8190886 63 O -1.4481454 0.0245694 -0.1277569 0.0001853 -1.6613215 0.0548231 -0.0376608 0.0362203 -1.5118230 64 O -1.9066074 -0.0601206 0.0785062 -0.0103825 -1.8688957 0.1057045 0.0698943 0.0944110 -1.9996007 65 O -1.7594117 -0.0699489 0.3742247 -0.1291373 -1.6214286 0.2613487 0.3615910 0.2220703 -2.1787421 66 O -1.9066074 -0.0601206 0.0785062 -0.0103825 -1.8688957 0.1057045 0.0698943 0.0944110 -1.9996007 67 O -1.4481454 0.0245694 -0.1277569 0.0001853 -1.6613215 0.0548231 -0.0376608 0.0362203 -1.5118230 68 O -1.4481454 -0.0245694 -0.1277569 -0.0001853 -1.6613215 -0.0548231 -0.0376608 -0.0362203 -1.5118230 69 O -1.5507974 0.0081172 0.0000000 -0.0063252 -2.4058169 0.0000000 -0.0000000 0.0000000 -1.4394106 70 O -1.7594117 0.0699489 0.3742247 0.1291373 -1.6214286 -0.2613487 0.3615910 -0.2220703 -2.1787421 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 71, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 83, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yxy) 0.00000000 (yxy) 0.00000000 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 16:37:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:37:05]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.180454240000000 0.000000000000000 0.000000000000000 b 0.000000000000000 14.185592600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.892936710000001 Atomic positions (fractional): 1 Mg 0.50000000000000 0.00000000000000 0.17489954022571 24.305 2 Mg 0.33753031934688 0.17412476782437 0.00000000000000 24.305 3 Mg 0.83753031934688 0.32587523217564 0.50000000000000 24.305 4 Mg 0.34158792798850 0.32219648253353 0.67631449198634 24.305 5 Mg 0.00000000000000 0.50000000000000 0.32510045977429 24.305 6 Mg 0.16246968065312 0.67412476782436 0.50000000000000 24.305 7 Mg 0.00000000000000 0.00000000000000 0.66050005719746 24.305 8 Mg 0.65841207201150 0.67780351746647 0.32368550801366 24.305 9 Mg 0.15841207201150 0.82219648253353 0.17631449198634 24.305 10 Mg 0.50000000000000 0.00000000000000 0.82510045977429 24.305 11 Mg 0.00000000000000 0.00000000000000 0.33949994280254 24.305 12 Mg 0.15841207201150 0.82219648253353 0.82368550801366 24.305 13 Mg 0.00000000000000 0.50000000000000 0.67489954022571 24.305 14 Mg 0.84158792798850 0.17780351746647 0.82368550801366 24.305 15 Mg 0.66246968065312 0.82587523217564 0.00000000000000 24.305 16 Mg 0.50000000000000 0.50000000000000 0.16050005719746 24.305 17 Mg 0.34158792798850 0.32219648253353 0.32368550801366 24.305 18 Mg 0.50000000000000 0.50000000000000 0.83949994280254 24.305 19 Mg 0.84158792798850 0.17780351746647 0.17631449198634 24.305 20 Mg 0.65841207201150 0.67780351746647 0.67631449198634 24.305 21 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 22 Ge 0.48559104640740 0.87680248630749 0.50000000000000 72.640 23 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 24 Ge 0.01440895359260 0.37680248630749 0.00000000000000 72.640 25 Ge 0.98559104640740 0.62319751369251 0.00000000000000 72.640 26 Ge 0.51440895359260 0.12319751369251 0.50000000000000 72.640 27 H 0.42483767074414 0.68878530961164 0.10154239133031 1.008 28 H 0.92483767074414 0.81121469038836 0.39845760866969 1.008 29 H 0.92483767074414 0.81121469038836 0.60154239133030 1.008 30 H 0.07516232925586 0.18878530961164 0.60154239133030 1.008 31 H 0.57516232925586 0.31121469038836 0.89845760866970 1.008 32 H 0.07516232925586 0.18878530961164 0.39845760866969 1.008 33 H 0.57516232925586 0.31121469038836 0.10154239133031 1.008 34 H 0.42483767074414 0.68878530961164 0.89845760866970 1.008 35 O 0.68263177828251 0.08173109993148 0.00000000000000 15.999 36 O 0.82544276955763 0.58397929063017 0.83421551500921 15.999 37 O 0.68494928863201 0.41380474660452 0.00000000000000 15.999 38 O 0.82544276955763 0.58397929063017 0.16578448499079 15.999 39 O 0.51890274763477 0.25402552765740 0.15762817650434 15.999 40 O 0.98109725236523 0.75402552765740 0.34237182349566 15.999 41 O 0.00770172314826 0.25221264833474 0.00000000000000 15.999 42 O 0.65095313383374 0.42359410770712 0.34948218365431 15.999 43 O 0.48109725236523 0.74597447234260 0.15762817650434 15.999 44 O 0.32544276955763 0.91602070936983 0.66578448499079 15.999 45 O 0.67455723044237 0.08397929063017 0.66578448499079 15.999 46 O 0.15095313383374 0.07640589229288 0.15051781634569 15.999 47 O 0.31505071136799 0.58619525339548 0.00000000000000 15.999 48 O 0.32544276955763 0.91602070936983 0.33421551500921 15.999 49 O 0.48109725236523 0.74597447234260 0.84237182349566 15.999 50 O 0.01890274763477 0.24597447234260 0.65762817650434 15.999 51 O 0.31736822171749 0.91826890006852 0.00000000000000 15.999 52 O 0.65095313383374 0.42359410770712 0.65051781634569 15.999 53 O 0.34904686616626 0.57640589229288 0.65051781634569 15.999 54 O 0.99229827685173 0.74778735166526 0.00000000000000 15.999 55 O 0.49229827685173 0.75221264833474 0.50000000000000 15.999 56 O 0.18494928863201 0.08619525339548 0.50000000000000 15.999 57 O 0.84904686616626 0.92359410770712 0.84948218365431 15.999 58 O 0.81736822171749 0.58173109993148 0.50000000000000 15.999 59 O 0.81505071136799 0.91380474660452 0.50000000000000 15.999 60 O 0.34904686616626 0.57640589229288 0.34948218365431 15.999 61 O 0.17455723044237 0.41602070936983 0.16578448499079 15.999 62 O 0.18263177828251 0.41826890006852 0.50000000000000 15.999 63 O 0.01890274763477 0.24597447234260 0.34237182349566 15.999 64 O 0.15095313383374 0.07640589229288 0.84948218365431 15.999 65 O 0.17455723044237 0.41602070936983 0.83421551500921 15.999 66 O 0.84904686616626 0.92359410770712 0.15051781634569 15.999 67 O 0.98109725236523 0.75402552765740 0.65762817650434 15.999 68 O 0.51890274763477 0.25402552765740 0.84237182349566 15.999 69 O 0.50770172314827 0.24778735166526 0.50000000000000 15.999 70 O 0.67455723044237 0.08397929063017 0.33421551500921 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.360908480000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.185592600000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.892936710000001 Atomic positions (fractional): 1 Mg 0.25000000000000 0.00000000000000 0.17489954022571 24.305 > 1 2 Mg 0.75000000000000 0.00000000000000 0.17489954022571 24.305 > 1 3 Mg 0.16876515967344 0.17412476782437 0.00000000000000 24.305 > 3 4 Mg 0.66876515967344 0.17412476782437 0.00000000000000 24.305 > 3 5 Mg 0.41876515967344 0.32587523217564 0.50000000000000 24.305 > 5 6 Mg 0.91876515967344 0.32587523217564 0.50000000000000 24.305 > 5 7 Mg 0.17079396399425 0.32219648253353 0.67631449198634 24.305 > 7 8 Mg 0.67079396399425 0.32219648253353 0.67631449198634 24.305 > 7 9 Mg 0.00000000000000 0.50000000000000 0.32510045977429 24.305 > 9 10 Mg 0.50000000000000 0.50000000000000 0.32510045977429 24.305 > 9 11 Mg 0.08123484032656 0.67412476782436 0.50000000000000 24.305 > 11 12 Mg 0.58123484032656 0.67412476782436 0.50000000000000 24.305 > 11 13 Mg 0.00000000000000 0.00000000000000 0.66050005719746 24.305 > 13 14 Mg 0.50000000000000 0.00000000000000 0.66050005719746 24.305 > 13 15 Mg 0.32920603600575 0.67780351746647 0.32368550801366 24.305 > 15 16 Mg 0.82920603600575 0.67780351746647 0.32368550801366 24.305 > 15 17 Mg 0.07920603600575 0.82219648253353 0.17631449198634 24.305 > 17 18 Mg 0.57920603600575 0.82219648253353 0.17631449198634 24.305 > 17 19 Mg 0.25000000000000 0.00000000000000 0.82510045977429 24.305 > 19 20 Mg 0.75000000000000 0.00000000000000 0.82510045977429 24.305 > 19 21 Mg 0.00000000000000 0.00000000000000 0.33949994280254 24.305 > 21 22 Mg 0.50000000000000 0.00000000000000 0.33949994280254 24.305 > 21 23 Mg 0.07920603600575 0.82219648253353 0.82368550801366 24.305 > 23 24 Mg 0.57920603600575 0.82219648253353 0.82368550801366 24.305 > 23 25 Mg 0.00000000000000 0.50000000000000 0.67489954022571 24.305 > 25 26 Mg 0.50000000000000 0.50000000000000 0.67489954022571 24.305 > 25 27 Mg 0.42079396399425 0.17780351746647 0.82368550801366 24.305 > 27 28 Mg 0.92079396399425 0.17780351746647 0.82368550801366 24.305 > 27 29 Mg 0.33123484032656 0.82587523217564 0.00000000000000 24.305 > 29 30 Mg 0.83123484032656 0.82587523217564 0.00000000000000 24.305 > 29 31 Mg 0.25000000000000 0.50000000000000 0.16050005719746 24.305 > 31 32 Mg 0.75000000000000 0.50000000000000 0.16050005719746 24.305 > 31 33 Mg 0.17079396399425 0.32219648253353 0.32368550801366 24.305 > 33 34 Mg 0.67079396399425 0.32219648253353 0.32368550801366 24.305 > 33 35 Mg 0.25000000000000 0.50000000000000 0.83949994280254 24.305 > 35 36 Mg 0.75000000000000 0.50000000000000 0.83949994280254 24.305 > 35 37 Mg 0.42079396399425 0.17780351746647 0.17631449198634 24.305 > 37 38 Mg 0.92079396399425 0.17780351746647 0.17631449198634 24.305 > 37 39 Mg 0.32920603600575 0.67780351746647 0.67631449198634 24.305 > 39 40 Mg 0.82920603600575 0.67780351746647 0.67631449198634 24.305 > 39 41 Ge 0.25000000000000 0.50000000000000 0.50000000000000 72.640 > 41 42 Ge 0.75000000000000 0.50000000000000 0.50000000000000 72.640 > 41 43 Ge 0.24279552320370 0.87680248630749 0.50000000000000 72.640 > 43 44 Ge 0.74279552320370 0.87680248630749 0.50000000000000 72.640 > 43 45 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 45 46 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 45 47 Ge 0.00720447679630 0.37680248630749 0.00000000000000 72.640 > 47 48 Ge 0.50720447679630 0.37680248630749 0.00000000000000 72.640 > 47 49 Ge 0.49279552320370 0.62319751369251 0.00000000000000 72.640 > 49 50 Ge 0.99279552320370 0.62319751369251 0.00000000000000 72.640 > 49 51 Ge 0.25720447679630 0.12319751369251 0.50000000000000 72.640 > 51 52 Ge 0.75720447679630 0.12319751369251 0.50000000000000 72.640 > 51 53 H 0.21241883537207 0.68878530961164 0.10154239133031 1.008 > 53 54 H 0.71241883537207 0.68878530961164 0.10154239133031 1.008 > 53 55 H 0.46241883537207 0.81121469038836 0.39845760866969 1.008 > 55 56 H 0.96241883537207 0.81121469038836 0.39845760866969 1.008 > 55 57 H 0.46241883537207 0.81121469038836 0.60154239133030 1.008 > 57 58 H 0.96241883537207 0.81121469038836 0.60154239133030 1.008 > 57 59 H 0.03758116462793 0.18878530961164 0.60154239133030 1.008 > 59 60 H 0.53758116462793 0.18878530961164 0.60154239133030 1.008 > 59 61 H 0.28758116462793 0.31121469038836 0.89845760866970 1.008 > 61 62 H 0.78758116462793 0.31121469038836 0.89845760866970 1.008 > 61 63 H 0.03758116462793 0.18878530961164 0.39845760866969 1.008 > 63 64 H 0.53758116462793 0.18878530961164 0.39845760866969 1.008 > 63 65 H 0.28758116462793 0.31121469038836 0.10154239133031 1.008 > 65 66 H 0.78758116462793 0.31121469038836 0.10154239133031 1.008 > 65 67 H 0.21241883537207 0.68878530961164 0.89845760866970 1.008 > 67 68 H 0.71241883537207 0.68878530961164 0.89845760866970 1.008 > 67 69 O 0.34131588914126 0.08173109993148 0.00000000000000 15.999 > 69 70 O 0.84131588914126 0.08173109993148 0.00000000000000 15.999 > 69 71 O 0.41272138477882 0.58397929063017 0.83421551500921 15.999 > 71 72 O 0.91272138477882 0.58397929063017 0.83421551500921 15.999 > 71 73 O 0.34247464431600 0.41380474660452 0.00000000000000 15.999 > 73 74 O 0.84247464431600 0.41380474660452 0.00000000000000 15.999 > 73 75 O 0.41272138477882 0.58397929063017 0.16578448499079 15.999 > 75 76 O 0.91272138477882 0.58397929063017 0.16578448499079 15.999 > 75 77 O 0.25945137381739 0.25402552765740 0.15762817650434 15.999 > 77 78 O 0.75945137381739 0.25402552765740 0.15762817650434 15.999 > 77 79 O 0.49054862618261 0.75402552765740 0.34237182349566 15.999 > 79 80 O 0.99054862618261 0.75402552765740 0.34237182349566 15.999 > 79 81 O 0.00385086157413 0.25221264833474 0.00000000000000 15.999 > 81 82 O 0.50385086157413 0.25221264833474 0.00000000000000 15.999 > 81 83 O 0.32547656691687 0.42359410770712 0.34948218365431 15.999 > 83 84 O 0.82547656691687 0.42359410770712 0.34948218365431 15.999 > 83 85 O 0.24054862618261 0.74597447234260 0.15762817650434 15.999 > 85 86 O 0.74054862618261 0.74597447234260 0.15762817650434 15.999 > 85 87 O 0.16272138477882 0.91602070936983 0.66578448499079 15.999 > 87 88 O 0.66272138477882 0.91602070936983 0.66578448499079 15.999 > 87 89 O 0.33727861522118 0.08397929063017 0.66578448499079 15.999 > 89 90 O 0.83727861522118 0.08397929063017 0.66578448499079 15.999 > 89 91 O 0.07547656691687 0.07640589229288 0.15051781634569 15.999 > 91 92 O 0.57547656691687 0.07640589229288 0.15051781634569 15.999 > 91 93 O 0.15752535568400 0.58619525339548 0.00000000000000 15.999 > 93 94 O 0.65752535568400 0.58619525339548 0.00000000000000 15.999 > 93 95 O 0.16272138477882 0.91602070936983 0.33421551500921 15.999 > 95 96 O 0.66272138477882 0.91602070936983 0.33421551500921 15.999 > 95 97 O 0.24054862618261 0.74597447234260 0.84237182349566 15.999 > 97 98 O 0.74054862618261 0.74597447234260 0.84237182349566 15.999 > 97 99 O 0.00945137381739 0.24597447234260 0.65762817650434 15.999 > 99 100 O 0.50945137381739 0.24597447234260 0.65762817650434 15.999 > 99 101 O 0.15868411085874 0.91826890006852 0.00000000000000 15.999 > 101 102 O 0.65868411085874 0.91826890006852 0.00000000000000 15.999 > 101 103 O 0.32547656691687 0.42359410770712 0.65051781634569 15.999 > 103 104 O 0.82547656691687 0.42359410770712 0.65051781634569 15.999 > 103 105 O 0.17452343308313 0.57640589229288 0.65051781634569 15.999 > 105 106 O 0.67452343308313 0.57640589229288 0.65051781634569 15.999 > 105 107 O 0.49614913842587 0.74778735166526 0.00000000000000 15.999 > 107 108 O 0.99614913842587 0.74778735166526 0.00000000000000 15.999 > 107 109 O 0.24614913842587 0.75221264833474 0.50000000000000 15.999 > 109 110 O 0.74614913842587 0.75221264833474 0.50000000000000 15.999 > 109 111 O 0.09247464431600 0.08619525339548 0.50000000000000 15.999 > 111 112 O 0.59247464431600 0.08619525339548 0.50000000000000 15.999 > 111 113 O 0.42452343308313 0.92359410770712 0.84948218365431 15.999 > 113 114 O 0.92452343308313 0.92359410770712 0.84948218365431 15.999 > 113 115 O 0.40868411085874 0.58173109993148 0.50000000000000 15.999 > 115 116 O 0.90868411085874 0.58173109993148 0.50000000000000 15.999 > 115 117 O 0.40752535568400 0.91380474660452 0.50000000000000 15.999 > 117 118 O 0.90752535568400 0.91380474660452 0.50000000000000 15.999 > 117 119 O 0.17452343308313 0.57640589229288 0.34948218365431 15.999 > 119 120 O 0.67452343308313 0.57640589229288 0.34948218365431 15.999 > 119 121 O 0.08727861522118 0.41602070936983 0.16578448499079 15.999 > 121 122 O 0.58727861522118 0.41602070936983 0.16578448499079 15.999 > 121 123 O 0.09131588914126 0.41826890006852 0.50000000000000 15.999 > 123 124 O 0.59131588914126 0.41826890006852 0.50000000000000 15.999 > 123 125 O 0.00945137381739 0.24597447234260 0.34237182349566 15.999 > 125 126 O 0.50945137381739 0.24597447234260 0.34237182349566 15.999 > 125 127 O 0.07547656691687 0.07640589229288 0.84948218365431 15.999 > 127 128 O 0.57547656691687 0.07640589229288 0.84948218365431 15.999 > 127 129 O 0.08727861522118 0.41602070936983 0.83421551500921 15.999 > 129 130 O 0.58727861522118 0.41602070936983 0.83421551500921 15.999 > 129 131 O 0.42452343308313 0.92359410770712 0.15051781634569 15.999 > 131 132 O 0.92452343308313 0.92359410770712 0.15051781634569 15.999 > 131 133 O 0.49054862618261 0.75402552765740 0.65762817650434 15.999 > 133 134 O 0.99054862618261 0.75402552765740 0.65762817650434 15.999 > 133 135 O 0.25945137381739 0.25402552765740 0.84237182349566 15.999 > 135 136 O 0.75945137381739 0.25402552765740 0.84237182349566 15.999 > 135 137 O 0.25385086157413 0.24778735166526 0.50000000000000 15.999 > 137 138 O 0.75385086157413 0.24778735166526 0.50000000000000 15.999 > 137 139 O 0.33727861522118 0.08397929063017 0.33421551500921 15.999 > 139 140 O 0.83727861522118 0.08397929063017 0.33421551500921 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2480870 0.0000000 0.0000000 0.0000000 3.2517969 0.0000000 0.0000000 0.0000000 3.2481096 -------------------------- Born effective charges -------------------------- 1 Mg 2.1541904 0.0138015 0.0000000 0.1349858 1.7483743 0.0000000 -0.0000000 0.0000000 2.1929974 2 Mg 2.2120636 0.0713451 0.0000000 -0.0626757 2.3022855 0.0000000 -0.0000000 0.0000000 1.7298038 3 Mg 2.2120636 -0.0713451 0.0000000 0.0626757 2.3022855 0.0000000 -0.0000000 0.0000000 1.7298038 4 Mg 1.8795600 -0.0648150 -0.0780505 0.0216847 2.1356702 0.0845421 -0.0880064 0.0446360 2.1404349 5 Mg 2.1541904 -0.0138015 0.0000000 -0.1349858 1.7483743 0.0000000 -0.0000000 0.0000000 2.1929974 6 Mg 2.2120636 -0.0713451 0.0000000 0.0626757 2.3022855 0.0000000 -0.0000000 0.0000000 1.7298038 7 Mg 2.1475931 0.0558021 0.0000000 -0.0361309 1.9652560 0.0000000 -0.0000000 0.0000000 2.1610813 8 Mg 1.8795600 -0.0648150 -0.0780505 0.0216847 2.1356702 0.0845421 -0.0880064 0.0446360 2.1404349 9 Mg 1.8795600 0.0648150 0.0780505 -0.0216847 2.1356702 0.0845421 0.0880064 0.0446360 2.1404349 10 Mg 2.1541904 0.0138015 0.0000000 0.1349858 1.7483743 0.0000000 -0.0000000 0.0000000 2.1929974 11 Mg 2.1475931 0.0558021 0.0000000 -0.0361309 1.9652560 0.0000000 -0.0000000 0.0000000 2.1610813 12 Mg 1.8795600 0.0648150 -0.0780505 -0.0216847 2.1356702 -0.0845421 -0.0880064 -0.0446360 2.1404349 13 Mg 2.1541904 -0.0138015 0.0000000 -0.1349858 1.7483743 0.0000000 -0.0000000 0.0000000 2.1929974 14 Mg 1.8795600 0.0648150 0.0780505 -0.0216847 2.1356702 0.0845421 0.0880064 0.0446360 2.1404349 15 Mg 2.2120636 0.0713451 0.0000000 -0.0626757 2.3022855 0.0000000 -0.0000000 0.0000000 1.7298038 16 Mg 2.1475931 -0.0558021 0.0000000 0.0361309 1.9652560 0.0000000 -0.0000000 0.0000000 2.1610813 17 Mg 1.8795600 -0.0648150 0.0780505 0.0216847 2.1356702 -0.0845421 0.0880064 -0.0446360 2.1404349 18 Mg 2.1475931 -0.0558021 0.0000000 0.0361309 1.9652560 0.0000000 -0.0000000 0.0000000 2.1610813 19 Mg 1.8795600 0.0648150 -0.0780505 -0.0216847 2.1356702 -0.0845421 -0.0880064 -0.0446360 2.1404349 20 Mg 1.8795600 -0.0648150 0.0780505 0.0216847 2.1356702 -0.0845421 0.0880064 -0.0446360 2.1404349 21 Ge 3.7599480 0.1681466 0.0000000 0.2160204 3.4368854 0.0000000 -0.0000000 0.0000000 3.4750021 22 Ge 3.2566537 0.0158138 0.0000000 -0.1276742 3.1644450 0.0000000 -0.0000000 0.0000000 3.0706320 23 Ge 3.7599480 -0.1681466 0.0000000 -0.2160204 3.4368854 0.0000000 -0.0000000 0.0000000 3.4750021 24 Ge 3.2566537 -0.0158138 0.0000000 0.1276742 3.1644450 0.0000000 -0.0000000 0.0000000 3.0706320 25 Ge 3.2566537 -0.0158138 0.0000000 0.1276742 3.1644450 0.0000000 -0.0000000 0.0000000 3.0706320 26 Ge 3.2566537 0.0158138 0.0000000 -0.1276742 3.1644450 0.0000000 -0.0000000 0.0000000 3.0706320 27 H 0.4498530 0.2248206 0.1876119 0.1616484 0.7530164 0.2382555 0.1228310 0.2457061 0.5229236 28 H 0.4498530 -0.2248206 -0.1876119 -0.1616484 0.7530164 0.2382555 -0.1228310 0.2457061 0.5229236 29 H 0.4498530 -0.2248206 0.1876119 -0.1616484 0.7530164 -0.2382555 0.1228310 -0.2457061 0.5229236 30 H 0.4498530 -0.2248206 -0.1876119 -0.1616484 0.7530164 0.2382555 -0.1228310 0.2457061 0.5229236 31 H 0.4498530 0.2248206 0.1876119 0.1616484 0.7530164 0.2382555 0.1228310 0.2457061 0.5229236 32 H 0.4498530 -0.2248206 0.1876119 -0.1616484 0.7530164 -0.2382555 0.1228310 -0.2457061 0.5229236 33 H 0.4498530 0.2248206 -0.1876119 0.1616484 0.7530164 -0.2382555 -0.1228310 -0.2457061 0.5229236 34 H 0.4498530 0.2248206 -0.1876119 0.1616484 0.7530164 -0.2382555 -0.1228310 -0.2457061 0.5229236 35 O -2.3298459 0.2783380 0.0000000 0.2845917 -1.9944573 0.0000000 -0.0000000 0.0000000 -1.8190886 36 O -1.7594117 -0.0699489 -0.3742247 -0.1291373 -1.6214286 -0.2613487 -0.3615910 -0.2220703 -2.1787421 37 O -2.2003284 0.1675070 0.0000000 0.1466350 -1.9726108 0.0000000 -0.0000000 0.0000000 -1.5799021 38 O -1.7594117 -0.0699489 0.3742247 -0.1291373 -1.6214286 0.2613487 0.3615910 0.2220703 -2.1787421 39 O -1.4481454 -0.0245694 0.1277569 -0.0001853 -1.6613215 0.0548231 0.0376608 0.0362203 -1.5118230 40 O -1.4481454 0.0245694 0.1277569 0.0001853 -1.6613215 -0.0548231 0.0376608 -0.0362203 -1.5118230 41 O -1.5507974 -0.0081172 0.0000000 0.0063252 -2.4058169 0.0000000 -0.0000000 0.0000000 -1.4394106 42 O -1.9066074 0.0601206 0.0785062 0.0103825 -1.8688957 -0.1057045 0.0698943 -0.0944110 -1.9996007 43 O -1.4481454 -0.0245694 -0.1277569 -0.0001853 -1.6613215 -0.0548231 -0.0376608 -0.0362203 -1.5118230 44 O -1.7594117 0.0699489 0.3742247 0.1291373 -1.6214286 -0.2613487 0.3615910 -0.2220703 -2.1787421 45 O -1.7594117 0.0699489 -0.3742247 0.1291373 -1.6214286 0.2613487 -0.3615910 0.2220703 -2.1787421 46 O -1.9066074 -0.0601206 -0.0785062 -0.0103825 -1.8688957 -0.1057045 -0.0698943 -0.0944110 -1.9996007 47 O -2.2003284 0.1675070 0.0000000 0.1466350 -1.9726108 0.0000000 -0.0000000 0.0000000 -1.5799021 48 O -1.7594117 0.0699489 -0.3742247 0.1291373 -1.6214286 0.2613487 -0.3615910 0.2220703 -2.1787421 49 O -1.4481454 -0.0245694 0.1277569 -0.0001853 -1.6613215 0.0548231 0.0376608 0.0362203 -1.5118230 50 O -1.4481454 0.0245694 0.1277569 0.0001853 -1.6613215 -0.0548231 0.0376608 -0.0362203 -1.5118230 51 O -2.3298459 0.2783380 0.0000000 0.2845917 -1.9944573 0.0000000 -0.0000000 0.0000000 -1.8190886 52 O -1.9066074 0.0601206 -0.0785062 0.0103825 -1.8688957 0.1057045 -0.0698943 0.0944110 -1.9996007 53 O -1.9066074 0.0601206 0.0785062 0.0103825 -1.8688957 -0.1057045 0.0698943 -0.0944110 -1.9996007 54 O -1.5507974 -0.0081172 0.0000000 0.0063252 -2.4058169 0.0000000 -0.0000000 0.0000000 -1.4394106 55 O -1.5507974 0.0081172 0.0000000 -0.0063252 -2.4058169 0.0000000 -0.0000000 0.0000000 -1.4394106 56 O -2.2003284 -0.1675070 0.0000000 -0.1466350 -1.9726108 0.0000000 -0.0000000 0.0000000 -1.5799021 57 O -1.9066074 -0.0601206 -0.0785062 -0.0103825 -1.8688957 -0.1057045 -0.0698943 -0.0944110 -1.9996007 58 O -2.3298459 -0.2783380 0.0000000 -0.2845917 -1.9944573 0.0000000 -0.0000000 0.0000000 -1.8190886 59 O -2.2003284 -0.1675070 0.0000000 -0.1466350 -1.9726108 0.0000000 -0.0000000 0.0000000 -1.5799021 60 O -1.9066074 0.0601206 -0.0785062 0.0103825 -1.8688957 0.1057045 -0.0698943 0.0944110 -1.9996007 61 O -1.7594117 -0.0699489 -0.3742247 -0.1291373 -1.6214286 -0.2613487 -0.3615910 -0.2220703 -2.1787421 62 O -2.3298459 -0.2783380 0.0000000 -0.2845917 -1.9944573 0.0000000 -0.0000000 0.0000000 -1.8190886 63 O -1.4481454 0.0245694 -0.1277569 0.0001853 -1.6613215 0.0548231 -0.0376608 0.0362203 -1.5118230 64 O -1.9066074 -0.0601206 0.0785062 -0.0103825 -1.8688957 0.1057045 0.0698943 0.0944110 -1.9996007 65 O -1.7594117 -0.0699489 0.3742247 -0.1291373 -1.6214286 0.2613487 0.3615910 0.2220703 -2.1787421 66 O -1.9066074 -0.0601206 0.0785062 -0.0103825 -1.8688957 0.1057045 0.0698943 0.0944110 -1.9996007 67 O -1.4481454 0.0245694 -0.1277569 0.0001853 -1.6613215 0.0548231 -0.0376608 0.0362203 -1.5118230 68 O -1.4481454 -0.0245694 -0.1277569 -0.0001853 -1.6613215 -0.0548231 -0.0376608 -0.0362203 -1.5118230 69 O -1.5507974 0.0081172 0.0000000 -0.0063252 -2.4058169 0.0000000 -0.0000000 0.0000000 -1.4394106 70 O -1.7594117 0.0699489 0.3742247 0.1291373 -1.6214286 -0.2613487 0.3615910 -0.2220703 -2.1787421 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yxy) 0.00000000 (yxy) 0.00000000 (yyx) Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 4 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.777 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.316 ( 0.000 0.000 0.000) 0.000 4.410 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 4.644 ( 0.000 0.000 0.000) 0.000 4.937 ( 0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.312 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.543 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.771 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.403 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.545 ( 0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 0.000) 0.000 6.758 ( 0.000 0.000 0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 6.875 ( 0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.215 ( 0.000 0.000 0.000) 0.000 7.234 ( 0.000 0.000 0.000) 0.000 7.289 ( 0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.536 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 7.772 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.026 ( 0.000 0.000 0.000) 0.000 8.104 ( 0.000 0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.191 ( 0.000 0.000 0.000) 0.000 8.364 ( 0.000 0.000 0.000) 0.000 8.616 ( 0.000 0.000 0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 8.763 ( 0.000 0.000 0.000) 0.000 8.857 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 8.923 ( 0.000 0.000 0.000) 0.000 9.067 ( 0.000 0.000 0.000) 0.000 9.311 ( 0.000 0.000 0.000) 0.000 9.350 ( 0.000 0.000 0.000) 0.000 9.444 ( 0.000 0.000 0.000) 0.000 9.539 ( 0.000 0.000 0.000) 0.000 9.543 ( 0.000 0.000 0.000) 0.000 9.565 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 0.000 0.000) 0.000 9.657 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 9.680 ( 0.000 0.000 0.000) 0.000 9.884 ( 0.000 0.000 0.000) 0.000 9.908 ( 0.000 0.000 0.000) 0.000 9.945 ( 0.000 0.000 0.000) 0.000 10.041 ( 0.000 0.000 0.000) 0.000 10.084 ( 0.000 0.000 0.000) 0.000 10.101 ( 0.000 0.000 0.000) 0.000 10.169 ( 0.000 0.000 0.000) 0.000 10.240 ( 0.000 0.000 0.000) 0.000 10.299 ( 0.000 0.000 0.000) 0.000 10.362 ( 0.000 0.000 0.000) 0.000 10.409 ( 0.000 0.000 0.000) 0.000 10.435 ( 0.000 0.000 0.000) 0.000 10.439 ( 0.000 0.000 0.000) 0.000 10.486 ( 0.000 0.000 0.000) 0.000 10.576 ( 0.000 0.000 0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 10.776 ( 0.000 0.000 0.000) 0.000 10.808 ( 0.000 0.000 0.000) 0.000 10.996 ( 0.000 0.000 0.000) 0.000 11.003 ( 0.000 0.000 0.000) 0.000 11.051 ( 0.000 0.000 0.000) 0.000 11.112 ( 0.000 0.000 0.000) 0.000 11.128 ( 0.000 0.000 0.000) 0.000 11.264 ( 0.000 0.000 0.000) 0.000 11.470 ( 0.000 0.000 0.000) 0.000 11.487 ( 0.000 0.000 0.000) 0.000 11.592 ( 0.000 0.000 0.000) 0.000 11.617 ( 0.000 0.000 0.000) 0.000 11.661 ( 0.000 0.000 0.000) 0.000 11.686 ( 0.000 0.000 0.000) 0.000 11.765 ( 0.000 0.000 0.000) 0.000 11.765 ( 0.000 0.000 0.000) 0.000 11.904 ( 0.000 0.000 0.000) 0.000 11.945 ( 0.000 0.000 0.000) 0.000 12.109 ( 0.000 0.000 0.000) 0.000 12.149 ( 0.000 0.000 0.000) 0.000 12.279 ( 0.000 0.000 0.000) 0.000 12.292 ( 0.000 0.000 0.000) 0.000 12.362 ( 0.000 0.000 0.000) 0.000 12.476 ( 0.000 0.000 0.000) 0.000 12.476 ( 0.000 0.000 0.000) 0.000 12.482 ( 0.000 0.000 0.000) 0.000 12.662 ( 0.000 0.000 0.000) 0.000 12.776 ( 0.000 0.000 0.000) 0.000 12.812 ( 0.000 0.000 0.000) 0.000 12.880 ( 0.000 0.000 0.000) 0.000 12.906 ( 0.000 0.000 0.000) 0.000 12.931 ( 0.000 0.000 0.000) 0.000 12.937 ( 0.000 0.000 0.000) 0.000 13.000 ( 0.000 0.000 0.000) 0.000 13.042 ( 0.000 0.000 0.000) 0.000 13.099 ( 0.000 0.000 0.000) 0.000 13.119 ( 0.000 0.000 0.000) 0.000 13.179 ( 0.000 0.000 0.000) 0.000 13.203 ( 0.000 0.000 0.000) 0.000 13.280 ( 0.000 0.000 0.000) 0.000 13.355 ( 0.000 0.000 0.000) 0.000 13.471 ( 0.000 0.000 0.000) 0.000 13.479 ( 0.000 0.000 0.000) 0.000 13.706 ( 0.000 0.000 0.000) 0.000 13.783 ( 0.000 0.000 0.000) 0.000 13.812 ( 0.000 0.000 0.000) 0.000 13.856 ( 0.000 0.000 0.000) 0.000 13.917 ( 0.000 0.000 0.000) 0.000 13.972 ( 0.000 0.000 0.000) 0.000 14.031 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 14.151 ( 0.000 0.000 0.000) 0.000 14.210 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.389 ( 0.000 0.000 0.000) 0.000 14.656 ( 0.000 0.000 0.000) 0.000 14.682 ( 0.000 0.000 0.000) 0.000 14.866 ( 0.000 0.000 0.000) 0.000 15.028 ( 0.000 0.000 0.000) 0.000 15.087 ( 0.000 0.000 0.000) 0.000 15.166 ( 0.000 0.000 0.000) 0.000 15.458 ( 0.000 0.000 0.000) 0.000 15.491 ( 0.000 0.000 0.000) 0.000 15.592 ( 0.000 0.000 0.000) 0.000 15.835 ( 0.000 0.000 0.000) 0.000 15.876 ( 0.000 0.000 0.000) 0.000 15.932 ( 0.000 0.000 0.000) 0.000 15.942 ( 0.000 0.000 0.000) 0.000 16.023 ( 0.000 0.000 0.000) 0.000 16.067 ( 0.000 0.000 0.000) 0.000 16.154 ( 0.000 0.000 0.000) 0.000 16.283 ( 0.000 0.000 0.000) 0.000 16.364 ( 0.000 0.000 0.000) 0.000 16.582 ( 0.000 0.000 0.000) 0.000 16.979 ( 0.000 0.000 0.000) 0.000 17.005 ( 0.000 0.000 0.000) 0.000 17.041 ( 0.000 0.000 0.000) 0.000 17.073 ( 0.000 0.000 0.000) 0.000 17.118 ( 0.000 0.000 0.000) 0.000 17.118 ( 0.000 0.000 0.000) 0.000 17.622 ( 0.000 0.000 0.000) 0.000 17.829 ( 0.000 0.000 0.000) 0.000 18.285 ( 0.000 0.000 0.000) 0.000 18.386 ( 0.000 0.000 0.000) 0.000 18.453 ( 0.000 0.000 0.000) 0.000 19.531 ( 0.000 0.000 0.000) 0.000 19.724 ( 0.000 0.000 0.000) 0.000 20.348 ( 0.000 0.000 0.000) 0.000 20.367 ( 0.000 0.000 0.000) 0.000 20.617 ( 0.000 0.000 0.000) 0.000 20.619 ( 0.000 0.000 0.000) 0.000 21.119 ( 0.000 0.000 0.000) 0.000 21.363 ( 0.000 0.000 0.000) 0.000 21.377 ( 0.000 0.000 0.000) 0.000 21.381 ( 0.000 0.000 0.000) 0.000 21.521 ( 0.000 0.000 0.000) 0.000 22.098 ( 0.000 0.000 0.000) 0.000 22.158 ( 0.000 0.000 0.000) 0.000 22.356 ( 0.000 0.000 0.000) 0.000 22.454 ( 0.000 0.000 0.000) 0.000 23.009 ( 0.000 0.000 0.000) 0.000 24.936 ( 0.000 0.000 0.000) 0.000 24.956 ( 0.000 0.000 0.000) 0.000 25.464 ( 0.000 0.000 0.000) 0.000 25.559 ( 0.000 0.000 0.000) 0.000 28.910 ( 0.000 0.000 0.000) 0.000 28.943 ( 0.000 0.000 0.000) 0.000 29.138 ( 0.000 0.000 0.000) 0.000 29.222 ( 0.000 0.000 0.000) 0.000 29.431 ( 0.000 0.000 0.000) 0.000 29.455 ( 0.000 0.000 0.000) 0.000 29.814 ( 0.000 0.000 0.000) 0.000 29.846 ( 0.000 0.000 0.000) 0.000 34.374 ( 0.000 0.000 0.000) 0.000 34.511 ( 0.000 0.000 0.000) 0.000 34.530 ( 0.000 0.000 0.000) 0.000 34.541 ( 0.000 0.000 0.000) 0.000 97.589 ( 0.000 0.000 0.000) 0.000 97.606 ( 0.000 0.000 0.000) 0.000 97.933 ( 0.000 0.000 0.000) 0.000 97.945 ( 0.000 0.000 0.000) 0.000 99.845 ( 0.000 0.000 0.000) 0.000 100.187 ( 0.000 0.000 0.000) 0.000 100.284 ( 0.000 0.000 0.000) 0.000 100.506 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 43.588 0.000 0.000) 43.588 0.906 ( 46.564 0.000 0.000) 46.564 1.559 ( 79.597 0.000 0.000) 79.597 2.906 ( 14.286 0.000 0.000) 14.286 3.057 ( 26.506 0.000 0.000) 26.506 3.398 ( 9.258 0.000 0.000) 9.258 3.457 ( 13.385 0.000 0.000) 13.385 4.530 ( 5.220 0.000 0.000) 5.220 4.572 ( 0.957 0.000 0.000) 0.957 4.654 ( 0.874 0.000 0.000) 0.874 5.027 ( 7.218 0.000 0.000) 7.218 5.051 ( 1.131 0.000 0.000) 1.131 5.164 ( -5.013 0.000 0.000) 5.013 5.270 ( 4.332 0.000 0.000) 4.332 5.322 ( 3.556 0.000 0.000) 3.556 5.336 ( 3.176 0.000 0.000) 3.176 5.435 ( -15.408 0.000 0.000) 15.408 5.437 ( 12.168 0.000 0.000) 12.168 5.521 ( -1.788 0.000 0.000) 1.788 5.534 ( 7.148 0.000 0.000) 7.148 5.591 ( 4.712 0.000 0.000) 4.712 5.623 ( -7.523 0.000 0.000) 7.523 5.637 ( 1.549 0.000 0.000) 1.549 5.919 ( -11.344 0.000 0.000) 11.344 6.024 ( 1.660 0.000 0.000) 1.660 6.137 ( -3.186 0.000 0.000) 3.186 6.169 ( -3.430 0.000 0.000) 3.430 6.310 ( -2.140 0.000 0.000) 2.140 6.365 ( -11.789 0.000 0.000) 11.789 6.485 ( -5.756 0.000 0.000) 5.756 6.509 ( -0.010 0.000 0.000) 0.010 6.552 ( -5.387 0.000 0.000) 5.387 6.687 ( -8.953 0.000 0.000) 8.953 6.718 ( -7.474 0.000 0.000) 7.474 6.843 ( -3.031 0.000 0.000) 3.031 6.913 ( 1.686 0.000 0.000) 1.686 6.978 ( -8.431 0.000 0.000) 8.431 7.073 ( -10.836 0.000 0.000) 10.836 7.392 ( 11.342 0.000 0.000) 11.342 7.402 ( 4.011 0.000 0.000) 4.011 7.417 ( 2.911 0.000 0.000) 2.911 7.469 ( 1.156 0.000 0.000) 1.156 7.476 ( -6.031 0.000 0.000) 6.031 7.765 ( -0.949 0.000 0.000) 0.949 7.798 ( -2.740 0.000 0.000) 2.740 7.946 ( -0.291 0.000 0.000) 0.291 8.096 ( -0.495 0.000 0.000) 0.495 8.129 ( 12.526 0.000 0.000) 12.526 8.155 ( -14.023 0.000 0.000) 14.023 8.160 ( 10.880 0.000 0.000) 10.880 8.233 ( -5.356 0.000 0.000) 5.356 8.252 ( 8.529 0.000 0.000) 8.529 8.552 ( 0.681 0.000 0.000) 0.681 8.614 ( -3.474 0.000 0.000) 3.474 8.742 ( 9.155 0.000 0.000) 9.155 8.848 ( -11.998 0.000 0.000) 11.998 8.987 ( 6.446 0.000 0.000) 6.446 9.042 ( 4.755 0.000 0.000) 4.755 9.081 ( -19.589 0.000 0.000) 19.589 9.098 ( 7.267 0.000 0.000) 7.267 9.290 ( -9.774 0.000 0.000) 9.774 9.354 ( -9.919 0.000 0.000) 9.919 9.435 ( -2.072 0.000 0.000) 2.072 9.498 ( 2.080 0.000 0.000) 2.080 9.547 ( -7.819 0.000 0.000) 7.819 9.613 ( 1.348 0.000 0.000) 1.348 9.657 ( -1.172 0.000 0.000) 1.172 9.670 ( -10.982 0.000 0.000) 10.982 9.717 ( -11.834 0.000 0.000) 11.834 9.863 ( 9.896 0.000 0.000) 9.896 9.915 ( -0.428 0.000 0.000) 0.428 9.931 ( -1.560 0.000 0.000) 1.560 10.118 ( 0.950 0.000 0.000) 0.950 10.151 ( -5.474 0.000 0.000) 5.474 10.161 ( 10.282 0.000 0.000) 10.282 10.278 ( -8.311 0.000 0.000) 8.311 10.309 ( 2.010 0.000 0.000) 2.010 10.343 ( -2.830 0.000 0.000) 2.830 10.358 ( -4.665 0.000 0.000) 4.665 10.370 ( 6.393 0.000 0.000) 6.393 10.480 ( 14.357 0.000 0.000) 14.357 10.498 ( 2.168 0.000 0.000) 2.168 10.568 ( -4.257 0.000 0.000) 4.257 10.571 ( 1.865 0.000 0.000) 1.865 10.866 ( -0.889 0.000 0.000) 0.889 10.870 ( 5.516 0.000 0.000) 5.516 10.924 ( -4.511 0.000 0.000) 4.511 11.062 ( 6.271 0.000 0.000) 6.271 11.072 ( 10.572 0.000 0.000) 10.572 11.077 ( -2.182 0.000 0.000) 2.182 11.133 ( 5.516 0.000 0.000) 5.516 11.213 ( 7.142 0.000 0.000) 7.142 11.275 ( 0.685 0.000 0.000) 0.685 11.441 ( -3.874 0.000 0.000) 3.874 11.466 ( -7.307 0.000 0.000) 7.307 11.610 ( 11.761 0.000 0.000) 11.761 11.655 ( 2.879 0.000 0.000) 2.879 11.705 ( 4.118 0.000 0.000) 4.118 11.715 ( 2.848 0.000 0.000) 2.848 11.786 ( 2.387 0.000 0.000) 2.387 11.914 ( 9.622 0.000 0.000) 9.622 11.916 ( -0.077 0.000 0.000) 0.077 11.936 ( -0.290 0.000 0.000) 0.290 12.067 ( -4.325 0.000 0.000) 4.325 12.112 ( -11.939 0.000 0.000) 11.939 12.155 ( -4.968 0.000 0.000) 4.968 12.227 ( -0.209 0.000 0.000) 0.209 12.379 ( 0.427 0.000 0.000) 0.427 12.456 ( -1.392 0.000 0.000) 1.392 12.484 ( -0.433 0.000 0.000) 0.433 12.526 ( -11.442 0.000 0.000) 11.442 12.598 ( 4.031 0.000 0.000) 4.031 12.771 ( -2.094 0.000 0.000) 2.094 12.858 ( -2.489 0.000 0.000) 2.489 12.870 ( 2.442 0.000 0.000) 2.442 12.872 ( -9.653 0.000 0.000) 9.653 12.932 ( 1.175 0.000 0.000) 1.175 12.998 ( -1.159 0.000 0.000) 1.159 13.072 ( 0.531 0.000 0.000) 0.531 13.113 ( 5.899 0.000 0.000) 5.899 13.171 ( 0.237 0.000 0.000) 0.237 13.176 ( 8.146 0.000 0.000) 8.146 13.179 ( -0.490 0.000 0.000) 0.490 13.207 ( -8.140 0.000 0.000) 8.140 13.333 ( -1.029 0.000 0.000) 1.029 13.414 ( -0.633 0.000 0.000) 0.633 13.491 ( 1.596 0.000 0.000) 1.596 13.664 ( -10.969 0.000 0.000) 10.969 13.700 ( -2.656 0.000 0.000) 2.656 13.705 ( -6.826 0.000 0.000) 6.826 13.830 ( -1.785 0.000 0.000) 1.785 13.961 ( -0.907 0.000 0.000) 0.907 14.024 ( -2.252 0.000 0.000) 2.252 14.035 ( -16.780 0.000 0.000) 16.780 14.041 ( 10.488 0.000 0.000) 10.488 14.144 ( -0.708 0.000 0.000) 0.708 14.162 ( 11.521 0.000 0.000) 11.521 14.283 ( 2.127 0.000 0.000) 2.127 14.414 ( 4.894 0.000 0.000) 4.894 14.636 ( -6.228 0.000 0.000) 6.228 14.770 ( 7.510 0.000 0.000) 7.510 14.909 ( -5.296 0.000 0.000) 5.296 14.937 ( 6.679 0.000 0.000) 6.679 15.099 ( 1.846 0.000 0.000) 1.846 15.169 ( 0.520 0.000 0.000) 0.520 15.339 ( -6.905 0.000 0.000) 6.905 15.439 ( -3.819 0.000 0.000) 3.819 15.498 ( -7.369 0.000 0.000) 7.369 15.840 ( -10.088 0.000 0.000) 10.088 15.879 ( -0.534 0.000 0.000) 0.534 15.968 ( 0.409 0.000 0.000) 0.409 15.980 ( 11.066 0.000 0.000) 11.066 16.062 ( 3.611 0.000 0.000) 3.611 16.096 ( 2.923 0.000 0.000) 2.923 16.146 ( 14.354 0.000 0.000) 14.354 16.281 ( 0.878 0.000 0.000) 0.878 16.354 ( -0.729 0.000 0.000) 0.729 16.618 ( 2.732 0.000 0.000) 2.732 16.705 ( -1.120 0.000 0.000) 1.120 16.933 ( -10.669 0.000 0.000) 10.669 16.998 ( 1.768 0.000 0.000) 1.768 17.019 ( 1.630 0.000 0.000) 1.630 17.121 ( 4.300 0.000 0.000) 4.300 17.200 ( 8.447 0.000 0.000) 8.447 17.604 ( -0.995 0.000 0.000) 0.995 17.784 ( 1.629 0.000 0.000) 1.629 17.805 ( -2.268 0.000 0.000) 2.268 18.252 ( -2.891 0.000 0.000) 2.891 18.406 ( 1.936 0.000 0.000) 1.936 18.482 ( 2.560 0.000 0.000) 2.560 19.562 ( 2.534 0.000 0.000) 2.534 20.291 ( -7.065 0.000 0.000) 7.065 20.415 ( 6.521 0.000 0.000) 6.521 20.628 ( 1.070 0.000 0.000) 1.070 20.628 ( 0.959 0.000 0.000) 0.959 21.080 ( -3.599 0.000 0.000) 3.599 21.169 ( 0.220 0.000 0.000) 0.220 21.348 ( -1.434 0.000 0.000) 1.434 21.349 ( -2.878 0.000 0.000) 2.878 21.355 ( -2.587 0.000 0.000) 2.587 21.802 ( -0.457 0.000 0.000) 0.457 22.056 ( -4.242 0.000 0.000) 4.242 22.303 ( -3.976 0.000 0.000) 3.976 22.330 ( -2.546 0.000 0.000) 2.546 22.450 ( -0.907 0.000 0.000) 0.907 22.950 ( -5.813 0.000 0.000) 5.813 24.949 ( 1.324 0.000 0.000) 1.324 24.970 ( 1.492 0.000 0.000) 1.492 25.453 ( -1.142 0.000 0.000) 1.142 25.544 ( -1.557 0.000 0.000) 1.557 28.918 ( 0.847 0.000 0.000) 0.847 28.949 ( 0.630 0.000 0.000) 0.630 29.136 ( -0.204 0.000 0.000) 0.204 29.212 ( -0.995 0.000 0.000) 0.995 29.497 ( 6.601 0.000 0.000) 6.601 29.509 ( 5.450 0.000 0.000) 5.450 29.913 ( 6.211 0.000 0.000) 6.211 30.416 ( 0.592 0.000 0.000) 0.592 34.366 ( -0.811 0.000 0.000) 0.811 34.513 ( -1.634 0.000 0.000) 1.634 34.517 ( -2.278 0.000 0.000) 2.278 34.535 ( -1.081 0.000 0.000) 1.081 97.597 ( 0.885 0.000 0.000) 0.885 97.615 ( 0.880 0.000 0.000) 0.880 97.924 ( -0.919 0.000 0.000) 0.919 97.936 ( -0.968 0.000 0.000) 0.968 99.851 ( 0.633 0.000 0.000) 0.633 100.257 ( -2.300 0.000 0.000) 2.300 100.336 ( -0.676 0.000 0.000) 0.676 100.448 ( -5.512 0.000 0.000) 5.512 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 43.631 0.000 0.000) 43.631 1.790 ( 44.794 0.000 0.000) 44.794 3.040 ( 72.446 0.000 0.000) 72.446 3.280 ( 23.465 0.000 0.000) 23.465 3.649 ( 16.131 0.000 0.000) 16.131 3.669 ( 33.601 0.000 0.000) 33.601 3.774 ( 18.532 0.000 0.000) 18.532 4.611 ( 3.205 0.000 0.000) 3.205 4.667 ( 0.144 0.000 0.000) 0.144 4.673 ( 9.046 0.000 0.000) 9.046 5.065 ( -18.311 0.000 0.000) 18.311 5.076 ( -3.580 0.000 0.000) 3.580 5.083 ( 1.664 0.000 0.000) 1.664 5.119 ( 1.045 0.000 0.000) 1.045 5.318 ( -0.655 0.000 0.000) 0.655 5.397 ( 4.267 0.000 0.000) 4.267 5.400 ( 4.005 0.000 0.000) 4.005 5.492 ( -8.939 0.000 0.000) 8.939 5.564 ( 7.113 0.000 0.000) 7.113 5.629 ( -2.505 0.000 0.000) 2.505 5.688 ( -12.527 0.000 0.000) 12.527 5.699 ( 11.571 0.000 0.000) 11.571 5.723 ( 8.454 0.000 0.000) 8.454 5.825 ( 19.565 0.000 0.000) 19.565 6.078 ( 3.358 0.000 0.000) 3.358 6.092 ( -3.537 0.000 0.000) 3.537 6.133 ( -10.409 0.000 0.000) 10.409 6.145 ( 8.818 0.000 0.000) 8.818 6.245 ( -5.055 0.000 0.000) 5.055 6.319 ( -10.539 0.000 0.000) 10.539 6.344 ( -8.275 0.000 0.000) 8.275 6.456 ( -3.451 0.000 0.000) 3.451 6.513 ( -12.434 0.000 0.000) 12.434 6.655 ( -1.144 0.000 0.000) 1.144 6.786 ( -1.945 0.000 0.000) 1.945 6.794 ( -9.167 0.000 0.000) 9.167 6.857 ( -10.531 0.000 0.000) 10.531 6.933 ( -0.949 0.000 0.000) 0.949 7.290 ( -11.887 0.000 0.000) 11.887 7.384 ( -5.323 0.000 0.000) 5.323 7.402 ( -6.707 0.000 0.000) 6.707 7.478 ( 2.179 0.000 0.000) 2.179 7.606 ( 8.460 0.000 0.000) 8.460 7.656 ( -21.223 0.000 0.000) 21.223 7.724 ( -14.385 0.000 0.000) 14.385 7.747 ( -3.710 0.000 0.000) 3.710 7.933 ( -1.651 0.000 0.000) 1.651 8.085 ( -6.111 0.000 0.000) 6.111 8.087 ( -0.776 0.000 0.000) 0.776 8.367 ( 12.875 0.000 0.000) 12.875 8.403 ( 13.232 0.000 0.000) 13.232 8.477 ( -17.469 0.000 0.000) 17.469 8.583 ( -21.168 0.000 0.000) 21.168 8.606 ( 25.011 0.000 0.000) 25.011 8.630 ( -0.350 0.000 0.000) 0.350 8.790 ( 4.165 0.000 0.000) 4.165 8.936 ( -6.963 0.000 0.000) 6.963 8.952 ( 5.827 0.000 0.000) 5.827 8.952 ( -21.535 0.000 0.000) 21.535 9.105 ( -2.782 0.000 0.000) 2.782 9.247 ( -6.832 0.000 0.000) 6.832 9.273 ( -8.737 0.000 0.000) 8.737 9.308 ( 2.001 0.000 0.000) 2.001 9.314 ( 7.490 0.000 0.000) 7.490 9.509 ( -3.830 0.000 0.000) 3.830 9.548 ( -2.764 0.000 0.000) 2.764 9.603 ( -3.434 0.000 0.000) 3.434 9.633 ( 0.549 0.000 0.000) 0.549 9.664 ( 0.351 0.000 0.000) 0.351 9.891 ( -1.974 0.000 0.000) 1.974 9.950 ( 3.005 0.000 0.000) 3.005 10.017 ( 6.281 0.000 0.000) 6.281 10.032 ( -1.660 0.000 0.000) 1.660 10.047 ( -5.743 0.000 0.000) 5.743 10.222 ( 1.057 0.000 0.000) 1.057 10.263 ( -4.526 0.000 0.000) 4.526 10.286 ( -4.757 0.000 0.000) 4.757 10.294 ( 1.856 0.000 0.000) 1.856 10.318 ( -2.099 0.000 0.000) 2.099 10.456 ( -3.961 0.000 0.000) 3.961 10.489 ( -1.572 0.000 0.000) 1.572 10.526 ( -0.822 0.000 0.000) 0.822 10.595 ( 0.818 0.000 0.000) 0.818 10.768 ( -0.349 0.000 0.000) 0.349 10.832 ( 15.088 0.000 0.000) 15.088 10.843 ( -3.561 0.000 0.000) 3.561 10.971 ( 5.380 0.000 0.000) 5.380 10.997 ( -5.833 0.000 0.000) 5.833 11.196 ( 5.241 0.000 0.000) 5.241 11.245 ( 5.703 0.000 0.000) 5.703 11.288 ( 1.289 0.000 0.000) 1.289 11.321 ( 11.002 0.000 0.000) 11.002 11.332 ( 6.109 0.000 0.000) 6.109 11.395 ( 0.903 0.000 0.000) 0.903 11.468 ( 7.250 0.000 0.000) 7.250 11.675 ( -1.876 0.000 0.000) 1.876 11.704 ( -5.180 0.000 0.000) 5.180 11.714 ( -4.820 0.000 0.000) 4.820 11.837 ( 9.201 0.000 0.000) 9.201 11.859 ( 5.748 0.000 0.000) 5.748 11.867 ( -8.520 0.000 0.000) 8.520 11.948 ( 1.384 0.000 0.000) 1.384 11.994 ( 3.673 0.000 0.000) 3.673 12.063 ( -4.107 0.000 0.000) 4.107 12.065 ( 5.527 0.000 0.000) 5.527 12.079 ( 11.389 0.000 0.000) 11.389 12.279 ( 0.791 0.000 0.000) 0.791 12.293 ( -11.241 0.000 0.000) 11.241 12.383 ( -0.635 0.000 0.000) 0.635 12.450 ( 0.990 0.000 0.000) 0.990 12.461 ( -1.000 0.000 0.000) 1.000 12.587 ( -1.242 0.000 0.000) 1.242 12.722 ( -4.701 0.000 0.000) 4.701 12.737 ( -2.301 0.000 0.000) 2.301 12.803 ( -6.721 0.000 0.000) 6.721 12.805 ( -1.808 0.000 0.000) 1.808 12.966 ( 2.404 0.000 0.000) 2.404 12.990 ( -10.719 0.000 0.000) 10.719 12.995 ( 0.800 0.000 0.000) 0.800 13.020 ( -5.189 0.000 0.000) 5.189 13.177 ( -0.778 0.000 0.000) 0.778 13.199 ( -5.631 0.000 0.000) 5.631 13.250 ( 4.717 0.000 0.000) 4.717 13.282 ( -7.683 0.000 0.000) 7.683 13.330 ( 7.258 0.000 0.000) 7.258 13.457 ( -2.961 0.000 0.000) 2.961 13.479 ( -3.864 0.000 0.000) 3.864 13.508 ( 2.937 0.000 0.000) 2.937 13.530 ( 2.422 0.000 0.000) 2.422 13.656 ( -17.923 0.000 0.000) 17.923 13.696 ( 2.088 0.000 0.000) 2.088 13.917 ( 6.418 0.000 0.000) 6.418 13.956 ( 1.030 0.000 0.000) 1.030 13.963 ( -3.867 0.000 0.000) 3.867 14.122 ( -1.431 0.000 0.000) 1.431 14.190 ( 5.186 0.000 0.000) 5.186 14.242 ( -4.282 0.000 0.000) 4.282 14.389 ( 10.368 0.000 0.000) 10.368 14.429 ( -11.116 0.000 0.000) 11.116 14.547 ( 5.845 0.000 0.000) 5.845 14.911 ( 2.166 0.000 0.000) 2.166 14.919 ( 6.977 0.000 0.000) 6.977 14.995 ( -2.169 0.000 0.000) 2.169 15.179 ( -0.776 0.000 0.000) 0.776 15.223 ( -5.210 0.000 0.000) 5.210 15.256 ( 14.343 0.000 0.000) 14.343 15.341 ( -8.156 0.000 0.000) 8.156 15.366 ( -3.940 0.000 0.000) 3.940 15.621 ( -9.639 0.000 0.000) 9.639 15.824 ( -5.465 0.000 0.000) 5.465 15.985 ( 1.521 0.000 0.000) 1.521 16.124 ( 2.043 0.000 0.000) 2.043 16.177 ( 5.310 0.000 0.000) 5.310 16.188 ( 9.032 0.000 0.000) 9.032 16.322 ( 2.854 0.000 0.000) 2.854 16.334 ( 4.730 0.000 0.000) 4.730 16.351 ( 0.684 0.000 0.000) 0.684 16.665 ( 1.917 0.000 0.000) 1.917 16.676 ( -13.832 0.000 0.000) 13.832 16.676 ( -1.565 0.000 0.000) 1.565 17.038 ( 2.087 0.000 0.000) 2.087 17.070 ( 3.579 0.000 0.000) 3.579 17.207 ( 3.815 0.000 0.000) 3.815 17.394 ( 8.145 0.000 0.000) 8.145 17.632 ( 4.710 0.000 0.000) 4.710 17.762 ( -0.462 0.000 0.000) 0.462 17.800 ( -0.695 0.000 0.000) 0.695 18.212 ( -0.452 0.000 0.000) 0.452 18.454 ( 2.903 0.000 0.000) 2.903 18.537 ( 2.936 0.000 0.000) 2.936 19.606 ( 1.977 0.000 0.000) 1.977 20.133 ( -8.394 0.000 0.000) 8.394 20.569 ( 8.298 0.000 0.000) 8.298 20.657 ( 2.049 0.000 0.000) 2.049 20.660 ( 2.295 0.000 0.000) 2.295 20.992 ( -5.149 0.000 0.000) 5.149 21.165 ( -0.533 0.000 0.000) 0.533 21.270 ( -5.197 0.000 0.000) 5.197 21.283 ( -4.771 0.000 0.000) 4.771 21.319 ( -1.231 0.000 0.000) 1.231 21.797 ( 0.046 0.000 0.000) 0.046 21.944 ( -6.922 0.000 0.000) 6.922 22.219 ( -4.421 0.000 0.000) 4.421 22.264 ( -4.064 0.000 0.000) 4.064 22.417 ( -2.251 0.000 0.000) 2.251 22.805 ( -8.654 0.000 0.000) 8.654 24.988 ( 2.666 0.000 0.000) 2.666 25.011 ( 2.696 0.000 0.000) 2.696 25.420 ( -2.282 0.000 0.000) 2.282 25.499 ( -3.019 0.000 0.000) 3.019 28.942 ( 1.560 0.000 0.000) 1.560 28.967 ( 1.212 0.000 0.000) 1.212 29.130 ( -0.499 0.000 0.000) 0.499 29.185 ( -1.701 0.000 0.000) 1.701 29.649 ( 8.905 0.000 0.000) 8.905 29.672 ( 10.829 0.000 0.000) 10.829 30.050 ( 7.028 0.000 0.000) 7.028 30.428 ( 0.381 0.000 0.000) 0.381 34.346 ( -1.231 0.000 0.000) 1.231 34.463 ( -2.986 0.000 0.000) 2.986 34.471 ( -2.595 0.000 0.000) 2.595 34.504 ( -2.076 0.000 0.000) 2.076 97.622 ( 1.661 0.000 0.000) 1.661 97.639 ( 1.646 0.000 0.000) 1.646 97.899 ( -1.678 0.000 0.000) 1.678 97.909 ( -1.772 0.000 0.000) 1.772 99.870 ( 1.379 0.000 0.000) 1.379 100.207 ( -2.745 0.000 0.000) 2.745 100.303 ( -2.733 0.000 0.000) 2.733 100.322 ( -6.853 0.000 0.000) 6.853 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 42.762 0.000 0.000) 42.762 2.628 ( 41.858 0.000 0.000) 41.858 3.771 ( 26.317 0.000 0.000) 26.317 3.998 ( 19.390 0.000 0.000) 19.390 4.039 ( 20.962 0.000 0.000) 20.962 4.252 ( 25.069 0.000 0.000) 25.069 4.373 ( 47.134 0.000 0.000) 47.134 4.647 ( -2.209 0.000 0.000) 2.209 4.691 ( 4.790 0.000 0.000) 4.790 4.801 ( -8.828 0.000 0.000) 8.828 4.853 ( 10.055 0.000 0.000) 10.055 5.060 ( 2.979 0.000 0.000) 2.979 5.083 ( -2.199 0.000 0.000) 2.199 5.095 ( -0.768 0.000 0.000) 0.768 5.239 ( -8.180 0.000 0.000) 8.180 5.255 ( -15.347 0.000 0.000) 15.347 5.455 ( -10.377 0.000 0.000) 10.377 5.473 ( 2.042 0.000 0.000) 2.042 5.489 ( 4.663 0.000 0.000) 4.663 5.588 ( 0.270 0.000 0.000) 0.270 5.750 ( 10.125 0.000 0.000) 10.125 5.752 ( -2.204 0.000 0.000) 2.204 5.848 ( 1.478 0.000 0.000) 1.478 5.977 ( -6.089 0.000 0.000) 6.089 6.043 ( -1.643 0.000 0.000) 1.643 6.138 ( -7.933 0.000 0.000) 7.933 6.151 ( 5.413 0.000 0.000) 5.413 6.159 ( 0.356 0.000 0.000) 0.356 6.200 ( 1.110 0.000 0.000) 1.110 6.204 ( -4.871 0.000 0.000) 4.871 6.249 ( 4.513 0.000 0.000) 4.513 6.452 ( 3.090 0.000 0.000) 3.090 6.537 ( 15.061 0.000 0.000) 15.061 6.594 ( -4.587 0.000 0.000) 4.587 6.669 ( -3.019 0.000 0.000) 3.019 6.766 ( -1.782 0.000 0.000) 1.782 6.793 ( 9.360 0.000 0.000) 9.360 6.827 ( -10.132 0.000 0.000) 10.132 7.032 ( -14.308 0.000 0.000) 14.308 7.145 ( -25.546 0.000 0.000) 25.546 7.245 ( -7.570 0.000 0.000) 7.570 7.264 ( -5.037 0.000 0.000) 5.037 7.509 ( 1.166 0.000 0.000) 1.166 7.524 ( -9.045 0.000 0.000) 9.045 7.638 ( -5.044 0.000 0.000) 5.044 7.701 ( -0.011 0.000 0.000) 0.011 7.892 ( -1.339 0.000 0.000) 1.339 8.015 ( -13.547 0.000 0.000) 13.547 8.035 ( -3.299 0.000 0.000) 3.299 8.112 ( -10.421 0.000 0.000) 10.421 8.214 ( -14.709 0.000 0.000) 14.709 8.356 ( -23.823 0.000 0.000) 23.823 8.483 ( -14.549 0.000 0.000) 14.549 8.661 ( 11.147 0.000 0.000) 11.147 8.671 ( 9.179 0.000 0.000) 9.179 8.773 ( 12.537 0.000 0.000) 12.537 8.983 ( -2.309 0.000 0.000) 2.309 8.986 ( -11.186 0.000 0.000) 11.186 9.085 ( 0.279 0.000 0.000) 0.279 9.115 ( 0.696 0.000 0.000) 0.696 9.130 ( 25.967 0.000 0.000) 25.967 9.222 ( 4.445 0.000 0.000) 4.445 9.315 ( -7.746 0.000 0.000) 7.746 9.371 ( -8.284 0.000 0.000) 8.284 9.449 ( 4.152 0.000 0.000) 4.152 9.541 ( 0.692 0.000 0.000) 0.692 9.551 ( 1.567 0.000 0.000) 1.567 9.626 ( -1.485 0.000 0.000) 1.485 9.674 ( 0.337 0.000 0.000) 0.337 9.842 ( -2.876 0.000 0.000) 2.876 9.882 ( -6.821 0.000 0.000) 6.821 10.041 ( -2.604 0.000 0.000) 2.604 10.064 ( -10.561 0.000 0.000) 10.561 10.086 ( 4.777 0.000 0.000) 4.777 10.158 ( -18.601 0.000 0.000) 18.601 10.191 ( 7.023 0.000 0.000) 7.023 10.199 ( -2.007 0.000 0.000) 2.007 10.213 ( -5.938 0.000 0.000) 5.938 10.291 ( 3.771 0.000 0.000) 3.771 10.325 ( 2.095 0.000 0.000) 2.095 10.473 ( -1.462 0.000 0.000) 1.462 10.499 ( -2.041 0.000 0.000) 2.041 10.646 ( 2.028 0.000 0.000) 2.028 10.801 ( -0.506 0.000 0.000) 0.506 10.819 ( -5.000 0.000 0.000) 5.000 10.874 ( 7.941 0.000 0.000) 7.941 11.030 ( 0.496 0.000 0.000) 0.496 11.040 ( 0.509 0.000 0.000) 0.509 11.226 ( -0.540 0.000 0.000) 0.540 11.324 ( 1.712 0.000 0.000) 1.712 11.371 ( 6.477 0.000 0.000) 6.477 11.445 ( 1.698 0.000 0.000) 1.698 11.483 ( 4.816 0.000 0.000) 4.816 11.516 ( 11.085 0.000 0.000) 11.085 11.561 ( -9.208 0.000 0.000) 9.208 11.581 ( -4.471 0.000 0.000) 4.471 11.603 ( 6.057 0.000 0.000) 6.057 11.675 ( 4.892 0.000 0.000) 4.892 11.725 ( -6.317 0.000 0.000) 6.317 11.895 ( -7.466 0.000 0.000) 7.466 11.928 ( -0.011 0.000 0.000) 0.011 11.969 ( 0.044 0.000 0.000) 0.044 11.978 ( 3.623 0.000 0.000) 3.623 12.109 ( -1.938 0.000 0.000) 1.938 12.142 ( -3.523 0.000 0.000) 3.523 12.150 ( 5.541 0.000 0.000) 5.541 12.263 ( -0.551 0.000 0.000) 0.551 12.291 ( -0.383 0.000 0.000) 0.383 12.419 ( 10.111 0.000 0.000) 10.111 12.482 ( 3.238 0.000 0.000) 3.238 12.502 ( 4.839 0.000 0.000) 4.839 12.619 ( 1.336 0.000 0.000) 1.336 12.654 ( -5.421 0.000 0.000) 5.421 12.662 ( 0.246 0.000 0.000) 0.246 12.696 ( -2.741 0.000 0.000) 2.741 12.792 ( 0.077 0.000 0.000) 0.077 12.847 ( -3.863 0.000 0.000) 3.863 12.905 ( -11.082 0.000 0.000) 11.082 12.916 ( -5.153 0.000 0.000) 5.153 13.023 ( -3.236 0.000 0.000) 3.236 13.027 ( 4.019 0.000 0.000) 4.019 13.114 ( -6.404 0.000 0.000) 6.404 13.131 ( -3.979 0.000 0.000) 3.979 13.289 ( -0.350 0.000 0.000) 0.350 13.303 ( -5.460 0.000 0.000) 5.460 13.417 ( -2.798 0.000 0.000) 2.798 13.526 ( -2.263 0.000 0.000) 2.263 13.581 ( 2.782 0.000 0.000) 2.782 13.593 ( 5.058 0.000 0.000) 5.058 13.638 ( 15.670 0.000 0.000) 15.670 13.745 ( 1.719 0.000 0.000) 1.719 13.891 ( -3.026 0.000 0.000) 3.026 13.993 ( -0.561 0.000 0.000) 0.561 14.004 ( 3.136 0.000 0.000) 3.136 14.083 ( -2.780 0.000 0.000) 2.780 14.190 ( 0.517 0.000 0.000) 0.517 14.289 ( 6.030 0.000 0.000) 6.030 14.322 ( 2.895 0.000 0.000) 2.895 14.535 ( 4.774 0.000 0.000) 4.774 14.593 ( -1.152 0.000 0.000) 1.152 14.903 ( -6.532 0.000 0.000) 6.532 14.918 ( -2.482 0.000 0.000) 2.482 15.002 ( 0.363 0.000 0.000) 0.363 15.056 ( -11.410 0.000 0.000) 11.410 15.144 ( -3.074 0.000 0.000) 3.074 15.206 ( -5.062 0.000 0.000) 5.062 15.287 ( -3.554 0.000 0.000) 3.554 15.543 ( 13.602 0.000 0.000) 13.602 15.582 ( 5.048 0.000 0.000) 5.048 15.680 ( -8.855 0.000 0.000) 8.855 16.007 ( -0.091 0.000 0.000) 0.091 16.142 ( 0.562 0.000 0.000) 0.562 16.249 ( -6.564 0.000 0.000) 6.564 16.291 ( 6.128 0.000 0.000) 6.128 16.321 ( -2.445 0.000 0.000) 2.445 16.376 ( 2.533 0.000 0.000) 2.533 16.388 ( 3.313 0.000 0.000) 3.313 16.544 ( 1.993 0.000 0.000) 1.993 16.658 ( -0.123 0.000 0.000) 0.123 16.685 ( 0.056 0.000 0.000) 0.056 17.075 ( 1.875 0.000 0.000) 1.875 17.151 ( 4.584 0.000 0.000) 4.584 17.252 ( 0.746 0.000 0.000) 0.746 17.458 ( 0.165 0.000 0.000) 0.165 17.646 ( -2.368 0.000 0.000) 2.368 17.752 ( -3.709 0.000 0.000) 3.709 17.926 ( 13.667 0.000 0.000) 13.667 18.238 ( 2.619 0.000 0.000) 2.619 18.511 ( 2.921 0.000 0.000) 2.921 18.589 ( 2.228 0.000 0.000) 2.228 19.646 ( 2.356 0.000 0.000) 2.356 19.987 ( -6.609 0.000 0.000) 6.609 20.697 ( 4.528 0.000 0.000) 4.528 20.709 ( 3.319 0.000 0.000) 3.319 20.717 ( 3.686 0.000 0.000) 3.686 20.895 ( -4.609 0.000 0.000) 4.609 21.155 ( -6.510 0.000 0.000) 6.510 21.156 ( -0.152 0.000 0.000) 0.152 21.176 ( -6.192 0.000 0.000) 6.192 21.307 ( -0.173 0.000 0.000) 0.173 21.799 ( -0.039 0.000 0.000) 0.039 21.812 ( -6.035 0.000 0.000) 6.035 22.139 ( -3.693 0.000 0.000) 3.693 22.182 ( -4.212 0.000 0.000) 4.212 22.377 ( -1.569 0.000 0.000) 1.569 22.637 ( -8.251 0.000 0.000) 8.251 25.050 ( 3.747 0.000 0.000) 3.747 25.073 ( 3.664 0.000 0.000) 3.664 25.365 ( -3.307 0.000 0.000) 3.307 25.429 ( -4.187 0.000 0.000) 4.187 28.977 ( 2.044 0.000 0.000) 2.044 28.995 ( 1.647 0.000 0.000) 1.647 29.116 ( -0.914 0.000 0.000) 0.914 29.148 ( -2.062 0.000 0.000) 2.062 29.833 ( 9.710 0.000 0.000) 9.710 29.896 ( 11.760 0.000 0.000) 11.760 30.158 ( 3.828 0.000 0.000) 3.828 30.423 ( -1.069 0.000 0.000) 1.069 34.323 ( -0.986 0.000 0.000) 0.986 34.412 ( -2.120 0.000 0.000) 2.120 34.417 ( -2.910 0.000 0.000) 2.910 34.460 ( -2.394 0.000 0.000) 2.394 97.660 ( 2.255 0.000 0.000) 2.255 97.677 ( 2.204 0.000 0.000) 2.204 97.860 ( -2.247 0.000 0.000) 2.247 97.869 ( -2.292 0.000 0.000) 2.292 99.905 ( 2.302 0.000 0.000) 2.302 100.155 ( -2.637 0.000 0.000) 2.637 100.205 ( -4.928 0.000 0.000) 4.928 100.234 ( -4.140 0.000 0.000) 4.140 ======================= Grid point 4 (5/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.321 ( 39.882 0.000 0.000) 39.882 3.398 ( 37.659 0.000 0.000) 37.659 4.252 ( 21.832 0.000 0.000) 21.832 4.341 ( 11.282 0.000 0.000) 11.282 4.366 ( 17.645 0.000 0.000) 17.645 4.556 ( -12.859 0.000 0.000) 12.859 4.569 ( -16.116 0.000 0.000) 16.116 4.571 ( 6.186 0.000 0.000) 6.186 4.687 ( -1.219 0.000 0.000) 1.219 4.823 ( 10.691 0.000 0.000) 10.691 4.980 ( -8.832 0.000 0.000) 8.832 4.990 ( -9.642 0.000 0.000) 9.642 5.024 ( -10.105 0.000 0.000) 10.105 5.123 ( 5.714 0.000 0.000) 5.714 5.201 ( 10.760 0.000 0.000) 10.760 5.312 ( -4.347 0.000 0.000) 4.347 5.329 ( 14.330 0.000 0.000) 14.330 5.447 ( 1.201 0.000 0.000) 1.201 5.551 ( 0.813 0.000 0.000) 0.813 5.555 ( -8.345 0.000 0.000) 8.345 5.702 ( -2.741 0.000 0.000) 2.741 5.762 ( -7.846 0.000 0.000) 7.846 5.857 ( 5.124 0.000 0.000) 5.124 5.995 ( -3.280 0.000 0.000) 3.280 6.001 ( 5.584 0.000 0.000) 5.584 6.048 ( -0.615 0.000 0.000) 0.615 6.083 ( 0.898 0.000 0.000) 0.898 6.189 ( 4.121 0.000 0.000) 4.121 6.286 ( 6.706 0.000 0.000) 6.706 6.306 ( 8.937 0.000 0.000) 8.937 6.401 ( 9.395 0.000 0.000) 9.395 6.496 ( -5.114 0.000 0.000) 5.114 6.508 ( -1.942 0.000 0.000) 1.942 6.606 ( -11.061 0.000 0.000) 11.061 6.647 ( -10.249 0.000 0.000) 10.249 6.698 ( 7.559 0.000 0.000) 7.559 6.736 ( -15.097 0.000 0.000) 15.097 6.792 ( -6.956 0.000 0.000) 6.956 6.822 ( 8.609 0.000 0.000) 8.609 6.946 ( 4.626 0.000 0.000) 4.626 7.171 ( -1.016 0.000 0.000) 1.016 7.267 ( 6.295 0.000 0.000) 6.295 7.338 ( -11.748 0.000 0.000) 11.748 7.483 ( -5.238 0.000 0.000) 5.238 7.509 ( -17.314 0.000 0.000) 17.314 7.577 ( -9.502 0.000 0.000) 9.502 7.750 ( -17.560 0.000 0.000) 17.560 7.856 ( -8.462 0.000 0.000) 8.462 7.910 ( 19.656 0.000 0.000) 19.656 8.078 ( 3.056 0.000 0.000) 3.056 8.121 ( 10.263 0.000 0.000) 10.263 8.223 ( 2.972 0.000 0.000) 2.972 8.295 ( -2.787 0.000 0.000) 2.787 8.699 ( -12.081 0.000 0.000) 12.081 8.819 ( -4.466 0.000 0.000) 4.466 8.869 ( -14.105 0.000 0.000) 14.105 8.874 ( 8.261 0.000 0.000) 8.261 9.052 ( -4.189 0.000 0.000) 4.189 9.060 ( 5.708 0.000 0.000) 5.708 9.070 ( 12.412 0.000 0.000) 12.412 9.164 ( -6.459 0.000 0.000) 6.459 9.227 ( -4.034 0.000 0.000) 4.034 9.232 ( -2.356 0.000 0.000) 2.356 9.372 ( -13.434 0.000 0.000) 13.434 9.499 ( 6.280 0.000 0.000) 6.280 9.515 ( -1.557 0.000 0.000) 1.557 9.642 ( -2.045 0.000 0.000) 2.045 9.679 ( 5.162 0.000 0.000) 5.162 9.744 ( 17.349 0.000 0.000) 17.349 9.758 ( -3.986 0.000 0.000) 3.986 9.805 ( -0.748 0.000 0.000) 0.748 9.892 ( -5.580 0.000 0.000) 5.580 9.893 ( -4.643 0.000 0.000) 4.643 9.926 ( -6.258 0.000 0.000) 6.258 10.046 ( -3.031 0.000 0.000) 3.031 10.108 ( -13.019 0.000 0.000) 13.019 10.175 ( -2.698 0.000 0.000) 2.698 10.257 ( 4.938 0.000 0.000) 4.938 10.385 ( 5.087 0.000 0.000) 5.087 10.396 ( -5.977 0.000 0.000) 5.977 10.456 ( 4.624 0.000 0.000) 4.624 10.462 ( -1.731 0.000 0.000) 1.731 10.665 ( 1.017 0.000 0.000) 1.017 10.786 ( -0.437 0.000 0.000) 0.437 10.824 ( 2.750 0.000 0.000) 2.750 10.996 ( -4.190 0.000 0.000) 4.190 11.005 ( 1.130 0.000 0.000) 1.130 11.017 ( 6.154 0.000 0.000) 6.154 11.214 ( -1.155 0.000 0.000) 1.155 11.293 ( -4.763 0.000 0.000) 4.763 11.406 ( -3.230 0.000 0.000) 3.230 11.434 ( -2.720 0.000 0.000) 2.720 11.443 ( 0.391 0.000 0.000) 0.391 11.484 ( 3.833 0.000 0.000) 3.833 11.568 ( -8.758 0.000 0.000) 8.758 11.669 ( -0.998 0.000 0.000) 0.998 11.695 ( 6.301 0.000 0.000) 6.301 11.734 ( 11.584 0.000 0.000) 11.584 11.804 ( 4.302 0.000 0.000) 4.302 11.845 ( 1.044 0.000 0.000) 1.044 11.866 ( -3.839 0.000 0.000) 3.839 11.938 ( -5.699 0.000 0.000) 5.699 11.959 ( -0.231 0.000 0.000) 0.231 12.046 ( 0.254 0.000 0.000) 0.254 12.129 ( -5.548 0.000 0.000) 5.548 12.145 ( 3.123 0.000 0.000) 3.123 12.233 ( -2.923 0.000 0.000) 2.923 12.292 ( 0.593 0.000 0.000) 0.593 12.477 ( -2.224 0.000 0.000) 2.224 12.563 ( 4.391 0.000 0.000) 4.391 12.580 ( 0.918 0.000 0.000) 0.918 12.653 ( 2.598 0.000 0.000) 2.598 12.661 ( 5.330 0.000 0.000) 5.330 12.669 ( -3.014 0.000 0.000) 3.014 12.691 ( -0.131 0.000 0.000) 0.131 12.753 ( -2.074 0.000 0.000) 2.074 12.799 ( 0.422 0.000 0.000) 0.422 12.835 ( -2.506 0.000 0.000) 2.506 12.931 ( 10.337 0.000 0.000) 10.337 12.985 ( 1.210 0.000 0.000) 1.210 13.004 ( -7.638 0.000 0.000) 7.638 13.054 ( -0.831 0.000 0.000) 0.831 13.133 ( 5.052 0.000 0.000) 5.052 13.255 ( -2.761 0.000 0.000) 2.761 13.263 ( -1.846 0.000 0.000) 1.846 13.265 ( -11.863 0.000 0.000) 11.863 13.514 ( 1.981 0.000 0.000) 1.981 13.636 ( 2.949 0.000 0.000) 2.949 13.654 ( 0.128 0.000 0.000) 0.128 13.744 ( -1.620 0.000 0.000) 1.620 13.866 ( 0.721 0.000 0.000) 0.721 13.929 ( 8.954 0.000 0.000) 8.954 14.000 ( 9.077 0.000 0.000) 9.077 14.011 ( -4.590 0.000 0.000) 4.590 14.061 ( 2.314 0.000 0.000) 2.314 14.250 ( 3.631 0.000 0.000) 3.631 14.426 ( 7.752 0.000 0.000) 7.752 14.476 ( 8.387 0.000 0.000) 8.387 14.534 ( -3.293 0.000 0.000) 3.293 14.588 ( 1.165 0.000 0.000) 1.165 14.772 ( -6.211 0.000 0.000) 6.211 14.828 ( -10.654 0.000 0.000) 10.654 14.829 ( -5.090 0.000 0.000) 5.090 14.910 ( -8.166 0.000 0.000) 8.166 15.071 ( -3.883 0.000 0.000) 3.883 15.152 ( -2.257 0.000 0.000) 2.257 15.276 ( 2.568 0.000 0.000) 2.568 15.503 ( -8.899 0.000 0.000) 8.899 15.713 ( 6.564 0.000 0.000) 6.564 15.742 ( 6.529 0.000 0.000) 6.529 15.976 ( -2.150 0.000 0.000) 2.150 16.071 ( -8.152 0.000 0.000) 8.152 16.171 ( 2.375 0.000 0.000) 2.375 16.282 ( -2.647 0.000 0.000) 2.647 16.390 ( 3.612 0.000 0.000) 3.612 16.415 ( 1.460 0.000 0.000) 1.460 16.479 ( 5.774 0.000 0.000) 5.774 16.618 ( 3.737 0.000 0.000) 3.737 16.662 ( -2.520 0.000 0.000) 2.520 16.668 ( 0.701 0.000 0.000) 0.701 17.116 ( 2.585 0.000 0.000) 2.585 17.236 ( -2.270 0.000 0.000) 2.270 17.245 ( 5.147 0.000 0.000) 5.147 17.429 ( -3.124 0.000 0.000) 3.124 17.613 ( -0.561 0.000 0.000) 0.561 17.679 ( -3.470 0.000 0.000) 3.470 18.157 ( 9.230 0.000 0.000) 9.230 18.284 ( 1.394 0.000 0.000) 1.394 18.565 ( 2.607 0.000 0.000) 2.607 18.617 ( 0.532 0.000 0.000) 0.532 19.703 ( 3.569 0.000 0.000) 3.569 19.875 ( -5.215 0.000 0.000) 5.215 20.750 ( 1.477 0.000 0.000) 1.477 20.786 ( 4.592 0.000 0.000) 4.592 20.801 ( 4.906 0.000 0.000) 4.906 20.820 ( -3.094 0.000 0.000) 3.094 21.027 ( -6.505 0.000 0.000) 6.505 21.051 ( -6.548 0.000 0.000) 6.548 21.170 ( 1.764 0.000 0.000) 1.764 21.288 ( -2.359 0.000 0.000) 2.359 21.740 ( -1.018 0.000 0.000) 1.018 21.789 ( -1.154 0.000 0.000) 1.154 22.083 ( -1.856 0.000 0.000) 1.856 22.110 ( -3.009 0.000 0.000) 3.009 22.366 ( 0.641 0.000 0.000) 0.641 22.497 ( -6.112 0.000 0.000) 6.112 25.129 ( 4.281 0.000 0.000) 4.281 25.152 ( 4.503 0.000 0.000) 4.503 25.294 ( -4.027 0.000 0.000) 4.027 25.341 ( -4.875 0.000 0.000) 4.875 29.019 ( 2.267 0.000 0.000) 2.267 29.029 ( 1.834 0.000 0.000) 1.834 29.094 ( -1.376 0.000 0.000) 1.376 29.107 ( -2.217 0.000 0.000) 2.217 30.009 ( 8.125 0.000 0.000) 8.125 30.110 ( 10.078 0.000 0.000) 10.078 30.190 ( -0.611 0.000 0.000) 0.611 30.379 ( -3.701 0.000 0.000) 3.701 34.312 ( 0.002 0.000 0.000) 0.002 34.364 ( -2.477 0.000 0.000) 2.477 34.386 ( -0.596 0.000 0.000) 0.596 34.417 ( -1.940 0.000 0.000) 1.940 97.708 ( 2.630 0.000 0.000) 2.630 97.723 ( 2.515 0.000 0.000) 2.515 97.813 ( -2.638 0.000 0.000) 2.638 97.822 ( -2.528 0.000 0.000) 2.528 99.959 ( 3.324 0.000 0.000) 3.324 100.103 ( -3.040 0.000 0.000) 3.040 100.137 ( -2.145 0.000 0.000) 2.145 100.157 ( -3.379 0.000 0.000) 3.379 ======================= Grid point 5 (6/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.033 ( -32.852 0.000 0.000) 32.852 4.033 ( 32.852 0.000 0.000) 32.852 4.068 ( -30.957 0.000 0.000) 30.957 4.068 ( 30.957 0.000 0.000) 30.957 4.553 ( -5.932 0.000 0.000) 5.932 4.553 ( 5.932 0.000 0.000) 5.932 4.580 ( -2.001 0.000 0.000) 2.001 4.580 ( 2.001 0.000 0.000) 2.001 4.739 ( -8.935 0.000 0.000) 8.935 4.739 ( 8.935 0.000 0.000) 8.935 4.926 ( -1.493 0.000 0.000) 1.493 4.926 ( 1.493 0.000 0.000) 1.493 5.053 ( -10.866 0.000 0.000) 10.866 5.053 ( 10.866 0.000 0.000) 10.866 5.344 ( -8.913 0.000 0.000) 8.913 5.344 ( 8.913 0.000 0.000) 8.913 5.405 ( -5.069 0.000 0.000) 5.069 5.405 ( 5.069 0.000 0.000) 5.069 5.477 ( -4.147 0.000 0.000) 4.147 5.477 ( 4.147 0.000 0.000) 4.147 5.677 ( -0.474 0.000 0.000) 0.474 5.677 ( 0.474 0.000 0.000) 0.474 5.973 ( -2.567 0.000 0.000) 2.567 5.973 ( 2.567 0.000 0.000) 2.567 6.029 ( -0.262 0.000 0.000) 0.262 6.029 ( 0.262 0.000 0.000) 0.262 6.245 ( -12.255 0.000 0.000) 12.255 6.245 ( 12.255 0.000 0.000) 12.255 6.350 ( -9.627 0.000 0.000) 9.627 6.350 ( 9.627 0.000 0.000) 9.627 6.460 ( -2.528 0.000 0.000) 2.528 6.460 ( 2.528 0.000 0.000) 2.528 6.469 ( -2.191 0.000 0.000) 2.191 6.469 ( 2.191 0.000 0.000) 2.191 6.546 ( -6.527 0.000 0.000) 6.527 6.546 ( 6.527 0.000 0.000) 6.527 6.797 ( -4.126 0.000 0.000) 4.126 6.797 ( 4.126 0.000 0.000) 4.126 6.959 ( -14.697 0.000 0.000) 14.697 6.959 ( 14.697 0.000 0.000) 14.697 7.157 ( -2.810 0.000 0.000) 2.810 7.157 ( 2.810 0.000 0.000) 2.810 7.321 ( -9.250 0.000 0.000) 9.250 7.321 ( 9.250 0.000 0.000) 9.250 7.531 ( -5.461 0.000 0.000) 5.461 7.531 ( 5.461 0.000 0.000) 5.461 7.582 ( -18.045 0.000 0.000) 18.045 7.582 ( 18.045 0.000 0.000) 18.045 8.242 ( -12.358 0.000 0.000) 12.358 8.242 ( 12.358 0.000 0.000) 12.358 8.276 ( -1.368 0.000 0.000) 1.368 8.276 ( 1.368 0.000 0.000) 1.368 8.341 ( -14.944 0.000 0.000) 14.944 8.341 ( 14.944 0.000 0.000) 14.944 8.747 ( -2.259 0.000 0.000) 2.259 8.747 ( 2.259 0.000 0.000) 2.259 8.977 ( -3.676 0.000 0.000) 3.676 8.977 ( 3.676 0.000 0.000) 3.676 9.017 ( -3.829 0.000 0.000) 3.829 9.017 ( 3.829 0.000 0.000) 3.829 9.200 ( -0.528 0.000 0.000) 0.528 9.200 ( 0.528 0.000 0.000) 0.528 9.253 ( -5.364 0.000 0.000) 5.364 9.253 ( 5.364 0.000 0.000) 5.364 9.580 ( -6.479 0.000 0.000) 6.479 9.580 ( 6.479 0.000 0.000) 6.479 9.595 ( -6.184 0.000 0.000) 6.184 9.595 ( 6.184 0.000 0.000) 6.184 9.811 ( -3.832 0.000 0.000) 3.832 9.811 ( 3.832 0.000 0.000) 3.832 9.832 ( -5.329 0.000 0.000) 5.329 9.832 ( 5.329 0.000 0.000) 5.329 9.876 ( -3.192 0.000 0.000) 3.192 9.876 ( 3.192 0.000 0.000) 3.192 10.064 ( -0.374 0.000 0.000) 0.374 10.064 ( 0.374 0.000 0.000) 0.374 10.142 ( -10.545 0.000 0.000) 10.545 10.142 ( 10.545 0.000 0.000) 10.545 10.408 ( -4.176 0.000 0.000) 4.176 10.408 ( 4.176 0.000 0.000) 4.176 10.464 ( -2.482 0.000 0.000) 2.482 10.464 ( 2.482 0.000 0.000) 2.482 10.720 ( -4.602 0.000 0.000) 4.602 10.720 ( 4.602 0.000 0.000) 4.602 10.902 ( -5.024 0.000 0.000) 5.024 10.902 ( 5.024 0.000 0.000) 5.024 11.073 ( -1.478 0.000 0.000) 1.478 11.073 ( 1.478 0.000 0.000) 1.478 11.210 ( -2.210 0.000 0.000) 2.210 11.210 ( 2.210 0.000 0.000) 2.210 11.421 ( -1.480 0.000 0.000) 1.480 11.421 ( 1.480 0.000 0.000) 1.480 11.440 ( -2.334 0.000 0.000) 2.334 11.440 ( 2.334 0.000 0.000) 2.334 11.584 ( -5.711 0.000 0.000) 5.711 11.584 ( 5.711 0.000 0.000) 5.711 11.758 ( -2.296 0.000 0.000) 2.296 11.758 ( 2.296 0.000 0.000) 2.296 11.866 ( -0.710 0.000 0.000) 0.710 11.866 ( 0.710 0.000 0.000) 0.710 11.876 ( -0.561 0.000 0.000) 0.561 11.876 ( 0.561 0.000 0.000) 0.561 12.004 ( -6.045 0.000 0.000) 6.045 12.004 ( 6.045 0.000 0.000) 6.045 12.147 ( -6.896 0.000 0.000) 6.896 12.147 ( 6.896 0.000 0.000) 6.896 12.240 ( -5.327 0.000 0.000) 5.327 12.240 ( 5.327 0.000 0.000) 5.327 12.511 ( -6.561 0.000 0.000) 6.561 12.511 ( 6.561 0.000 0.000) 6.561 12.624 ( -0.932 0.000 0.000) 0.932 12.624 ( 0.932 0.000 0.000) 0.932 12.641 ( -3.758 0.000 0.000) 3.758 12.641 ( 3.758 0.000 0.000) 3.758 12.787 ( -3.641 0.000 0.000) 3.641 12.787 ( 3.641 0.000 0.000) 3.641 12.849 ( -5.740 0.000 0.000) 5.740 12.849 ( 5.740 0.000 0.000) 5.740 12.910 ( -10.179 0.000 0.000) 10.179 12.910 ( 10.179 0.000 0.000) 10.179 13.065 ( -6.742 0.000 0.000) 6.742 13.065 ( 6.742 0.000 0.000) 6.742 13.158 ( -7.239 0.000 0.000) 7.239 13.158 ( 7.239 0.000 0.000) 7.239 13.217 ( -3.249 0.000 0.000) 3.249 13.217 ( 3.249 0.000 0.000) 3.249 13.592 ( -5.176 0.000 0.000) 5.176 13.592 ( 5.176 0.000 0.000) 5.176 13.696 ( -3.079 0.000 0.000) 3.079 13.696 ( 3.079 0.000 0.000) 3.079 13.919 ( -4.393 0.000 0.000) 4.393 13.919 ( 4.393 0.000 0.000) 4.393 14.043 ( -4.674 0.000 0.000) 4.674 14.043 ( 4.674 0.000 0.000) 4.674 14.227 ( -7.899 0.000 0.000) 7.899 14.227 ( 7.899 0.000 0.000) 7.899 14.527 ( -1.792 0.000 0.000) 1.792 14.527 ( 1.792 0.000 0.000) 1.792 14.564 ( -5.170 0.000 0.000) 5.170 14.564 ( 5.170 0.000 0.000) 5.170 14.702 ( -0.508 0.000 0.000) 0.508 14.702 ( 0.508 0.000 0.000) 0.508 14.790 ( -2.108 0.000 0.000) 2.108 14.790 ( 2.108 0.000 0.000) 2.108 15.076 ( -4.428 0.000 0.000) 4.428 15.076 ( 4.428 0.000 0.000) 4.428 15.359 ( -5.800 0.000 0.000) 5.800 15.359 ( 5.800 0.000 0.000) 5.800 15.792 ( -1.096 0.000 0.000) 1.096 15.792 ( 1.096 0.000 0.000) 1.096 15.969 ( -2.246 0.000 0.000) 2.246 15.969 ( 2.246 0.000 0.000) 2.246 16.225 ( -3.063 0.000 0.000) 3.063 16.225 ( 3.063 0.000 0.000) 3.063 16.427 ( -0.431 0.000 0.000) 0.431 16.427 ( 0.431 0.000 0.000) 0.431 16.588 ( -5.044 0.000 0.000) 5.044 16.588 ( 5.044 0.000 0.000) 5.044 16.666 ( -1.166 0.000 0.000) 1.166 16.666 ( 1.166 0.000 0.000) 1.166 17.177 ( -3.458 0.000 0.000) 3.458 17.177 ( 3.458 0.000 0.000) 3.458 17.346 ( -5.107 0.000 0.000) 5.107 17.346 ( 5.107 0.000 0.000) 5.107 17.627 ( -1.863 0.000 0.000) 1.863 17.627 ( 1.863 0.000 0.000) 1.863 18.273 ( -2.944 0.000 0.000) 2.944 18.273 ( 2.944 0.000 0.000) 2.944 18.607 ( -1.502 0.000 0.000) 1.502 18.607 ( 1.502 0.000 0.000) 1.502 19.781 ( -4.494 0.000 0.000) 4.494 19.781 ( 4.494 0.000 0.000) 4.494 20.776 ( -1.623 0.000 0.000) 1.623 20.776 ( 1.623 0.000 0.000) 1.623 20.871 ( -1.838 0.000 0.000) 1.838 20.871 ( 1.838 0.000 0.000) 1.838 20.944 ( -2.088 0.000 0.000) 2.088 20.944 ( 2.088 0.000 0.000) 2.088 21.224 ( -3.599 0.000 0.000) 3.599 21.224 ( 3.599 0.000 0.000) 3.599 21.756 ( -1.891 0.000 0.000) 1.891 21.756 ( 1.891 0.000 0.000) 1.891 22.072 ( -0.764 0.000 0.000) 0.764 22.072 ( 0.764 0.000 0.000) 0.764 22.405 ( -3.406 0.000 0.000) 3.406 22.405 ( 3.406 0.000 0.000) 3.406 25.212 ( -4.336 0.000 0.000) 4.336 25.212 ( 4.336 0.000 0.000) 4.336 25.245 ( -4.988 0.000 0.000) 4.988 25.245 ( 4.988 0.000 0.000) 4.988 29.063 ( -2.156 0.000 0.000) 2.156 29.063 ( 2.156 0.000 0.000) 2.156 29.064 ( -1.863 0.000 0.000) 1.863 29.064 ( 1.863 0.000 0.000) 1.863 30.136 ( -4.851 0.000 0.000) 4.851 30.136 ( 4.851 0.000 0.000) 4.851 30.276 ( -7.002 0.000 0.000) 7.002 30.276 ( 7.002 0.000 0.000) 7.002 34.326 ( -1.368 0.000 0.000) 1.368 34.326 ( 1.368 0.000 0.000) 1.368 34.389 ( -0.868 0.000 0.000) 0.868 34.389 ( 0.868 0.000 0.000) 0.868 97.760 ( -2.766 0.000 0.000) 2.766 97.760 ( 2.766 0.000 0.000) 2.766 97.772 ( -2.603 0.000 0.000) 2.603 97.772 ( 2.603 0.000 0.000) 2.603 100.031 ( -4.004 0.000 0.000) 4.004 100.031 ( 4.004 0.000 0.000) 4.004 100.120 ( -0.429 0.000 0.000) 0.429 100.120 ( 0.429 0.000 0.000) 0.429 ======================= Grid point 11 (7/72) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 0.000 44.037 0.000) 44.037 0.803 ( 0.000 45.082 0.000) 45.082 1.476 ( 0.000 82.949 0.000) 82.949 2.272 ( 0.000 -38.868 0.000) 38.868 2.305 ( 0.000 -38.460 0.000) 38.460 3.740 ( 0.000 31.602 0.000) 31.602 3.744 ( 0.000 32.769 0.000) 32.769 4.195 ( 0.000 -58.409 0.000) 58.409 4.501 ( 0.000 -9.231 0.000) 9.231 4.597 ( 0.000 -2.524 0.000) 2.524 4.726 ( 0.000 6.666 0.000) 6.666 4.749 ( 0.000 -22.543 0.000) 22.543 4.795 ( 0.000 -20.803 0.000) 20.803 5.089 ( 0.000 -6.339 0.000) 6.339 5.139 ( 0.000 -8.649 0.000) 8.649 5.174 ( 0.000 -7.584 0.000) 7.584 5.520 ( 0.000 -2.397 0.000) 2.397 5.538 ( 0.000 -2.572 0.000) 2.572 5.588 ( 0.000 18.237 0.000) 18.237 5.657 ( 0.000 14.523 0.000) 14.523 5.732 ( 0.000 12.075 0.000) 12.075 5.857 ( 0.000 7.917 0.000) 7.917 5.993 ( 0.000 8.932 0.000) 8.932 6.086 ( 0.000 -2.670 0.000) 2.670 6.103 ( 0.000 -7.991 0.000) 7.991 6.142 ( 0.000 11.891 0.000) 11.891 6.182 ( 0.000 -7.670 0.000) 7.670 6.290 ( 0.000 -4.519 0.000) 4.519 6.325 ( 0.000 4.592 0.000) 4.592 6.514 ( 0.000 -2.429 0.000) 2.429 6.562 ( 0.000 -6.867 0.000) 6.867 6.571 ( 0.000 2.878 0.000) 2.878 6.814 ( 0.000 -4.411 0.000) 4.411 6.815 ( 0.000 6.161 0.000) 6.161 6.848 ( 0.000 -2.381 0.000) 2.381 6.919 ( 0.000 5.217 0.000) 5.217 7.002 ( 0.000 -5.928 0.000) 5.928 7.270 ( 0.000 4.719 0.000) 4.719 7.272 ( 0.000 -13.307 0.000) 13.307 7.351 ( 0.000 3.132 0.000) 3.132 7.479 ( 0.000 20.942 0.000) 20.942 7.521 ( 0.000 13.248 0.000) 13.248 7.542 ( 0.000 1.292 0.000) 1.292 7.798 ( 0.000 8.299 0.000) 8.299 7.931 ( 0.000 11.315 0.000) 11.315 8.002 ( 0.000 4.972 0.000) 4.972 8.031 ( 0.000 5.783 0.000) 5.783 8.061 ( 0.000 -2.323 0.000) 2.323 8.098 ( 0.000 -5.257 0.000) 5.257 8.120 ( 0.000 -5.773 0.000) 5.773 8.157 ( 0.000 4.233 0.000) 4.233 8.350 ( 0.000 -2.378 0.000) 2.378 8.521 ( 0.000 -4.804 0.000) 4.804 8.700 ( 0.000 -11.417 0.000) 11.417 8.711 ( 0.000 -5.149 0.000) 5.149 8.758 ( 0.000 7.098 0.000) 7.098 8.770 ( 0.000 -11.568 0.000) 11.568 8.961 ( 0.000 0.004 0.000) 0.004 9.173 ( 0.000 -14.691 0.000) 14.691 9.183 ( 0.000 7.354 0.000) 7.354 9.402 ( 0.000 -19.409 0.000) 19.409 9.438 ( 0.000 9.222 0.000) 9.222 9.542 ( 0.000 -1.199 0.000) 1.199 9.553 ( 0.000 1.536 0.000) 1.536 9.561 ( 0.000 -7.431 0.000) 7.431 9.566 ( 0.000 6.174 0.000) 6.174 9.645 ( 0.000 1.937 0.000) 1.937 9.709 ( 0.000 2.685 0.000) 2.685 9.776 ( 0.000 6.479 0.000) 6.479 9.897 ( 0.000 -1.565 0.000) 1.565 9.906 ( 0.000 2.501 0.000) 2.501 9.950 ( 0.000 0.334 0.000) 0.334 10.016 ( 0.000 -2.330 0.000) 2.330 10.082 ( 0.000 0.427 0.000) 0.427 10.099 ( 0.000 2.600 0.000) 2.600 10.195 ( 0.000 0.911 0.000) 0.911 10.281 ( 0.000 1.860 0.000) 1.860 10.344 ( 0.000 -2.790 0.000) 2.790 10.397 ( 0.000 5.171 0.000) 5.171 10.420 ( 0.000 -1.529 0.000) 1.529 10.467 ( 0.000 1.168 0.000) 1.168 10.501 ( 0.000 2.394 0.000) 2.394 10.538 ( 0.000 -3.429 0.000) 3.429 10.607 ( 0.000 -4.685 0.000) 4.685 10.789 ( 0.000 -0.570 0.000) 0.570 10.798 ( 0.000 2.126 0.000) 2.126 10.888 ( 0.000 -4.289 0.000) 4.289 11.053 ( 0.000 -9.214 0.000) 9.214 11.080 ( 0.000 3.182 0.000) 3.182 11.119 ( 0.000 0.588 0.000) 0.588 11.125 ( 0.000 0.087 0.000) 0.087 11.133 ( 0.000 7.300 0.000) 7.300 11.231 ( 0.000 -3.557 0.000) 3.557 11.409 ( 0.000 -7.634 0.000) 7.634 11.478 ( 0.000 0.008 0.000) 0.008 11.553 ( 0.000 -6.803 0.000) 6.803 11.608 ( 0.000 -0.322 0.000) 0.322 11.661 ( 0.000 -2.200 0.000) 2.200 11.669 ( 0.000 3.731 0.000) 3.731 11.799 ( 0.000 -0.117 0.000) 0.117 11.929 ( 0.000 2.233 0.000) 2.233 11.965 ( 0.000 1.133 0.000) 1.133 12.125 ( 0.000 1.533 0.000) 1.533 12.156 ( 0.000 0.427 0.000) 0.427 12.252 ( 0.000 0.294 0.000) 0.294 12.294 ( 0.000 0.039 0.000) 0.039 12.385 ( 0.000 2.032 0.000) 2.032 12.455 ( 0.000 -2.061 0.000) 2.061 12.489 ( 0.000 11.012 0.000) 11.012 12.501 ( 0.000 2.437 0.000) 2.437 12.591 ( 0.000 10.623 0.000) 10.623 12.629 ( 0.000 -3.221 0.000) 3.221 12.790 ( 0.000 0.734 0.000) 0.734 12.792 ( 0.000 -3.837 0.000) 3.837 12.846 ( 0.000 -0.017 0.000) 0.017 12.892 ( 0.000 -1.426 0.000) 1.426 12.900 ( 0.000 0.052 0.000) 0.052 12.992 ( 0.000 -1.662 0.000) 1.662 13.067 ( 0.000 8.624 0.000) 8.624 13.116 ( 0.000 6.536 0.000) 6.536 13.121 ( 0.000 0.587 0.000) 0.587 13.178 ( 0.000 -0.900 0.000) 0.900 13.178 ( 0.000 -1.766 0.000) 1.766 13.190 ( 0.000 -0.829 0.000) 0.829 13.254 ( 0.000 -2.617 0.000) 2.617 13.346 ( 0.000 -1.406 0.000) 1.406 13.488 ( 0.000 2.951 0.000) 2.951 13.535 ( 0.000 1.226 0.000) 1.226 13.662 ( 0.000 -10.481 0.000) 10.481 13.780 ( 0.000 -8.107 0.000) 8.107 13.840 ( 0.000 5.927 0.000) 5.927 13.857 ( 0.000 -0.393 0.000) 0.393 14.010 ( 0.000 4.252 0.000) 4.252 14.033 ( 0.000 0.247 0.000) 0.247 14.042 ( 0.000 -0.453 0.000) 0.453 14.095 ( 0.000 4.367 0.000) 4.367 14.103 ( 0.000 -5.449 0.000) 5.449 14.203 ( 0.000 -2.188 0.000) 2.188 14.395 ( 0.000 0.637 0.000) 0.637 14.522 ( 0.000 -8.908 0.000) 8.908 14.761 ( 0.000 4.319 0.000) 4.319 14.857 ( 0.000 -0.784 0.000) 0.784 14.876 ( 0.000 -1.632 0.000) 1.632 14.917 ( 0.000 -7.449 0.000) 7.449 15.413 ( 0.000 16.055 0.000) 16.055 15.429 ( 0.000 -0.675 0.000) 0.675 15.450 ( 0.000 -1.059 0.000) 1.059 15.624 ( 0.000 3.520 0.000) 3.520 15.799 ( 0.000 -5.302 0.000) 5.302 15.860 ( 0.000 -8.068 0.000) 8.068 15.861 ( 0.000 2.600 0.000) 2.600 15.937 ( 0.000 0.113 0.000) 0.113 16.062 ( 0.000 4.159 0.000) 4.159 16.110 ( 0.000 3.549 0.000) 3.549 16.154 ( 0.000 -0.290 0.000) 0.290 16.241 ( 0.000 -3.550 0.000) 3.550 16.408 ( 0.000 3.719 0.000) 3.719 16.549 ( 0.000 -3.391 0.000) 3.391 16.820 ( 0.000 2.817 0.000) 2.817 16.997 ( 0.000 -4.705 0.000) 4.705 16.999 ( 0.000 1.945 0.000) 1.945 17.025 ( 0.000 2.079 0.000) 2.079 17.064 ( 0.000 -1.094 0.000) 1.094 17.105 ( 0.000 -1.487 0.000) 1.487 17.472 ( 0.000 1.323 0.000) 1.323 17.578 ( 0.000 -4.089 0.000) 4.089 18.310 ( 0.000 2.707 0.000) 2.707 18.429 ( 0.000 -2.570 0.000) 2.570 18.463 ( 0.000 7.744 0.000) 7.744 18.755 ( 0.000 -5.843 0.000) 5.843 19.725 ( 0.000 0.093 0.000) 0.093 19.733 ( 0.000 -0.323 0.000) 0.323 20.351 ( 0.000 0.306 0.000) 0.306 20.364 ( 0.000 -0.273 0.000) 0.273 20.618 ( 0.000 0.029 0.000) 0.029 20.619 ( 0.000 -0.030 0.000) 0.030 21.177 ( 0.000 6.244 0.000) 6.244 21.378 ( 0.000 0.054 0.000) 0.054 21.380 ( 0.000 -0.057 0.000) 0.057 21.459 ( 0.000 -6.503 0.000) 6.503 21.991 ( 0.000 0.434 0.000) 0.434 22.042 ( 0.000 -3.053 0.000) 3.053 22.247 ( 0.000 6.496 0.000) 6.496 22.428 ( 0.000 -2.916 0.000) 2.916 23.006 ( 0.000 0.052 0.000) 0.052 23.009 ( 0.000 -0.059 0.000) 0.059 24.939 ( 0.000 0.271 0.000) 0.271 24.953 ( 0.000 -0.334 0.000) 0.334 25.478 ( 0.000 1.548 0.000) 1.548 25.545 ( 0.000 -1.453 0.000) 1.453 28.914 ( 0.000 0.404 0.000) 0.404 28.937 ( 0.000 -0.652 0.000) 0.652 29.152 ( 0.000 1.433 0.000) 1.433 29.211 ( 0.000 -1.218 0.000) 1.218 29.455 ( 0.000 0.071 0.000) 0.071 29.459 ( 0.000 -0.077 0.000) 0.077 29.819 ( 0.000 0.519 0.000) 0.519 29.842 ( 0.000 -0.504 0.000) 0.504 34.514 ( 0.000 0.295 0.000) 0.295 34.527 ( 0.000 -0.297 0.000) 0.297 34.539 ( 0.000 0.028 0.000) 0.028 34.540 ( 0.000 -0.033 0.000) 0.033 97.591 ( 0.000 0.270 0.000) 0.270 97.603 ( 0.000 -0.276 0.000) 0.276 97.935 ( 0.000 0.197 0.000) 0.197 97.943 ( 0.000 -0.186 0.000) 0.186 100.198 ( 0.000 1.243 0.000) 1.243 100.265 ( 0.000 -1.892 0.000) 1.892 100.444 ( 0.000 1.617 0.000) 1.617 100.498 ( 0.000 -0.948 0.000) 0.948 ======================= Grid point 12 (8/72) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 35.187 28.625 0.000) 45.360 1.279 ( 33.429 35.401 0.000) 48.690 2.064 ( 55.534 53.160 0.000) 76.877 2.440 ( 16.669 -36.045 0.000) 39.713 2.574 ( 25.463 -36.046 0.000) 44.132 3.825 ( 8.162 31.681 0.000) 32.716 3.875 ( 13.630 26.571 0.000) 29.863 4.369 ( 16.562 -45.535 0.000) 48.454 4.571 ( 5.851 -10.276 0.000) 11.824 4.586 ( 1.413 -4.287 0.000) 4.514 4.730 ( 0.327 7.102 0.000) 7.110 4.833 ( 3.791 -20.151 0.000) 20.505 4.872 ( 10.668 -19.900 0.000) 22.579 5.108 ( 2.905 -7.458 0.000) 8.004 5.139 ( -0.738 -10.919 0.000) 10.944 5.164 ( -0.963 -7.784 0.000) 7.843 5.508 ( -0.045 -0.630 0.000) 0.632 5.536 ( -17.154 7.832 0.000) 18.857 5.547 ( -1.569 15.807 0.000) 15.885 5.567 ( 1.111 -2.308 0.000) 2.562 5.718 ( 5.153 14.576 0.000) 15.460 5.748 ( -9.101 2.727 0.000) 9.501 5.973 ( -8.017 6.722 0.000) 10.462 5.992 ( -1.508 2.426 0.000) 2.856 6.094 ( 0.991 -2.833 0.000) 3.001 6.158 ( 1.582 11.901 0.000) 12.006 6.162 ( -4.088 -0.931 0.000) 4.193 6.274 ( 1.213 -0.313 0.000) 1.253 6.399 ( -4.738 -5.465 0.000) 7.232 6.426 ( -3.291 -1.382 0.000) 3.569 6.455 ( -8.361 -2.510 0.000) 8.729 6.518 ( -3.837 -4.100 0.000) 5.616 6.706 ( -7.365 2.674 0.000) 7.835 6.752 ( -7.636 3.556 0.000) 8.424 6.866 ( -1.287 -2.090 0.000) 2.454 6.877 ( -11.141 -5.664 0.000) 12.498 6.892 ( -1.395 3.468 0.000) 3.738 7.222 ( -6.838 10.407 0.000) 12.452 7.277 ( -0.581 -15.093 0.000) 15.104 7.345 ( 0.503 -1.033 0.000) 1.149 7.482 ( -3.365 2.814 0.000) 4.386 7.575 ( 6.492 16.247 0.000) 17.496 7.576 ( 1.622 7.187 0.000) 7.368 7.834 ( 0.937 7.680 0.000) 7.737 7.904 ( -3.334 7.904 0.000) 8.578 7.989 ( 0.086 6.112 0.000) 6.113 8.060 ( -0.185 -2.524 0.000) 2.531 8.065 ( -2.498 -4.392 0.000) 5.053 8.183 ( 0.566 2.495 0.000) 2.559 8.242 ( 10.607 -0.692 0.000) 10.630 8.267 ( 9.627 7.682 0.000) 12.317 8.303 ( 5.250 5.516 0.000) 7.614 8.535 ( -0.659 -0.785 0.000) 1.025 8.578 ( -0.053 -2.392 0.000) 2.392 8.782 ( -2.523 1.693 0.000) 3.038 8.794 ( 0.575 -8.244 0.000) 8.264 8.856 ( 1.102 -4.347 0.000) 4.484 8.890 ( 7.640 -14.676 0.000) 16.546 9.028 ( -11.667 -6.165 0.000) 13.196 9.136 ( -9.802 -7.074 0.000) 12.088 9.298 ( -2.578 10.297 0.000) 10.615 9.321 ( -14.467 2.968 0.000) 14.769 9.451 ( -13.323 -3.877 0.000) 13.876 9.459 ( -0.410 -14.151 0.000) 14.157 9.542 ( -4.314 -0.352 0.000) 4.329 9.552 ( -1.383 -1.384 0.000) 1.957 9.623 ( -2.380 -2.186 0.000) 3.231 9.687 ( -3.181 0.645 0.000) 3.246 9.798 ( 1.485 -0.449 0.000) 1.552 9.852 ( 0.994 11.210 0.000) 11.254 9.896 ( 0.057 -2.533 0.000) 2.534 9.954 ( -0.891 2.227 0.000) 2.399 10.127 ( 1.142 1.197 0.000) 1.655 10.145 ( 8.710 1.279 0.000) 8.803 10.188 ( -5.417 3.805 0.000) 6.620 10.197 ( 1.573 -3.422 0.000) 3.767 10.296 ( -1.374 -5.087 0.000) 5.270 10.331 ( -5.723 -3.036 0.000) 6.479 10.382 ( 7.806 1.956 0.000) 8.047 10.458 ( -1.095 -1.975 0.000) 2.259 10.477 ( 5.360 5.332 0.000) 7.560 10.516 ( 10.770 5.026 0.000) 11.885 10.550 ( -4.071 -3.020 0.000) 5.069 10.625 ( -2.830 2.150 0.000) 3.554 10.796 ( 3.744 -4.579 0.000) 5.915 10.876 ( 4.776 0.607 0.000) 4.815 10.917 ( 2.202 -1.255 0.000) 2.534 11.005 ( -0.969 -4.347 0.000) 4.453 11.095 ( 2.377 4.927 0.000) 5.470 11.137 ( 4.477 2.859 0.000) 5.312 11.172 ( 4.000 3.115 0.000) 5.070 11.220 ( 6.902 -0.119 0.000) 6.903 11.256 ( 1.936 -2.023 0.000) 2.800 11.372 ( -3.054 -7.049 0.000) 7.682 11.490 ( -0.512 0.770 0.000) 0.924 11.585 ( 6.932 -5.725 0.000) 8.991 11.624 ( 1.829 0.377 0.000) 1.868 11.738 ( 7.205 7.107 0.000) 10.121 11.738 ( 6.610 -2.135 0.000) 6.946 11.854 ( 2.196 3.299 0.000) 3.963 11.926 ( -2.816 3.039 0.000) 4.143 11.963 ( 1.524 1.457 0.000) 2.109 12.048 ( -5.552 9.716 0.000) 11.190 12.088 ( -4.035 2.018 0.000) 4.512 12.118 ( -8.504 0.745 0.000) 8.536 12.164 ( -0.167 -0.455 0.000) 0.484 12.225 ( -7.458 1.892 0.000) 7.694 12.374 ( -7.790 5.452 0.000) 9.509 12.427 ( -3.710 -5.634 0.000) 6.746 12.535 ( -6.292 1.749 0.000) 6.531 12.591 ( -0.168 9.349 0.000) 9.350 12.614 ( 1.206 -0.431 0.000) 1.281 12.757 ( -2.276 -1.325 0.000) 2.634 12.849 ( -1.134 0.690 0.000) 1.327 12.889 ( -1.201 -0.026 0.000) 1.201 12.891 ( 1.212 -2.884 0.000) 3.129 12.928 ( -1.860 -4.393 0.000) 4.770 12.947 ( -8.177 2.489 0.000) 8.548 13.075 ( -4.522 -1.097 0.000) 4.653 13.085 ( 5.106 -4.319 0.000) 6.688 13.141 ( 1.825 0.725 0.000) 1.964 13.171 ( 2.690 0.885 0.000) 2.832 13.192 ( 1.339 0.578 0.000) 1.458 13.197 ( -0.403 -0.096 0.000) 0.415 13.297 ( 2.368 -5.024 0.000) 5.555 13.345 ( 2.149 -4.337 0.000) 4.840 13.515 ( 1.693 4.068 0.000) 4.406 13.598 ( -3.409 -3.116 0.000) 4.619 13.726 ( 8.800 -5.009 0.000) 10.126 13.752 ( -0.592 3.101 0.000) 3.157 13.766 ( -11.254 1.827 0.000) 11.402 13.897 ( 0.516 -6.805 0.000) 6.825 13.958 ( -6.108 -2.418 0.000) 6.569 14.020 ( -7.790 2.873 0.000) 8.303 14.071 ( 0.748 -5.625 0.000) 5.675 14.124 ( 7.171 2.667 0.000) 7.651 14.174 ( 9.611 0.005 0.000) 9.611 14.240 ( -3.016 -4.978 0.000) 5.820 14.406 ( 4.827 0.132 0.000) 4.829 14.544 ( -0.291 -7.469 0.000) 7.475 14.793 ( 4.778 2.326 0.000) 5.314 14.869 ( 0.725 -0.618 0.000) 0.953 14.925 ( 6.242 -1.096 0.000) 6.337 14.965 ( 5.257 -5.747 0.000) 7.789 15.315 ( -6.704 -0.348 0.000) 6.713 15.372 ( -6.346 -3.317 0.000) 7.161 15.377 ( -3.130 13.854 0.000) 14.203 15.599 ( -3.622 6.594 0.000) 7.523 15.772 ( -8.739 -7.117 0.000) 11.270 15.820 ( 2.483 -5.067 0.000) 5.642 15.955 ( 3.990 1.837 0.000) 4.393 15.992 ( 1.538 -0.475 0.000) 1.610 16.126 ( 1.998 2.925 0.000) 3.543 16.152 ( 9.684 3.255 0.000) 10.217 16.238 ( 7.773 4.897 0.000) 9.187 16.242 ( 0.699 -3.166 0.000) 3.242 16.406 ( 0.128 4.459 0.000) 4.461 16.578 ( 2.305 -4.045 0.000) 4.656 16.708 ( -6.167 1.974 0.000) 6.475 16.887 ( -9.629 -4.578 0.000) 10.662 17.023 ( 2.220 2.447 0.000) 3.304 17.050 ( 1.432 2.900 0.000) 3.234 17.108 ( 3.966 -1.523 0.000) 4.248 17.166 ( 5.692 -2.967 0.000) 6.419 17.567 ( 6.729 -3.930 0.000) 7.793 17.583 ( 1.177 -2.079 0.000) 2.389 18.225 ( -19.171 14.033 0.000) 23.758 18.264 ( -4.481 2.091 0.000) 4.945 18.440 ( -0.211 3.714 0.000) 3.720 18.498 ( 0.901 2.039 0.000) 2.229 19.622 ( 2.245 6.897 0.000) 7.254 20.116 ( -0.381 -18.357 0.000) 18.361 20.443 ( 7.481 2.319 0.000) 7.833 20.628 ( 1.054 0.013 0.000) 1.054 20.628 ( 0.975 -0.013 0.000) 0.975 20.651 ( 21.545 -18.192 0.000) 28.199 21.169 ( -0.384 5.269 0.000) 5.283 21.350 ( -2.837 0.099 0.000) 2.838 21.354 ( -2.631 -0.105 0.000) 2.633 21.404 ( -4.771 -4.038 0.000) 6.251 21.878 ( -7.097 3.898 0.000) 8.097 22.010 ( -4.384 -4.504 0.000) 6.285 22.247 ( -0.769 4.707 0.000) 4.769 22.418 ( -1.142 -2.922 0.000) 3.137 22.713 ( -16.346 16.442 0.000) 23.185 22.937 ( -6.857 -1.610 0.000) 7.044 24.952 ( 1.350 0.306 0.000) 1.385 24.967 ( 1.468 -0.367 0.000) 1.513 25.467 ( -1.204 1.483 0.000) 1.910 25.531 ( -1.498 -1.389 0.000) 2.043 28.922 ( 0.835 0.389 0.000) 0.921 28.943 ( 0.690 -0.595 0.000) 0.911 29.149 ( -0.347 1.286 0.000) 1.332 29.202 ( -0.898 -1.110 0.000) 1.428 29.506 ( 5.988 0.639 0.000) 6.022 29.510 ( 5.497 0.176 0.000) 5.500 29.923 ( 7.439 1.377 0.000) 7.565 30.152 ( 15.712 -16.208 0.000) 22.574 34.435 ( -4.268 4.254 0.000) 6.026 34.507 ( -2.163 -0.727 0.000) 2.282 34.518 ( -1.806 0.171 0.000) 1.814 34.532 ( -1.182 -0.394 0.000) 1.246 97.600 ( 0.885 0.269 0.000) 0.925 97.612 ( 0.881 -0.275 0.000) 0.922 97.926 ( -0.927 0.189 0.000) 0.946 97.934 ( -0.962 -0.179 0.000) 0.978 100.033 ( -8.959 11.093 0.000) 14.259 100.230 ( -3.099 -2.812 0.000) 4.185 100.368 ( -2.687 3.076 0.000) 4.084 100.446 ( -5.083 -0.584 0.000) 5.116 ======================= Grid point 13 (9/72) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 40.914 17.227 0.000) 44.393 1.958 ( 37.021 27.625 0.000) 46.191 2.869 ( 26.511 -30.133 0.000) 40.135 3.124 ( 29.978 -31.164 0.000) 43.242 3.296 ( 64.741 24.111 0.000) 69.084 4.046 ( 14.195 28.691 0.000) 32.011 4.228 ( 21.110 22.885 0.000) 31.134 4.631 ( 4.435 1.917 0.000) 4.832 4.682 ( 11.674 0.508 0.000) 11.685 4.727 ( -1.079 6.066 0.000) 6.161 4.812 ( 16.744 -34.104 0.000) 37.993 4.919 ( 2.645 -13.721 0.000) 13.974 5.040 ( 4.529 -6.796 0.000) 8.167 5.050 ( -7.968 -11.370 0.000) 13.884 5.172 ( 7.819 -16.117 0.000) 17.913 5.241 ( 7.590 -12.368 0.000) 14.511 5.255 ( -8.365 3.954 0.000) 9.253 5.469 ( -10.931 -2.183 0.000) 11.147 5.538 ( -1.052 -3.268 0.000) 3.433 5.556 ( 2.608 10.248 0.000) 10.575 5.604 ( -2.240 -3.206 0.000) 3.911 5.835 ( -6.173 12.316 0.000) 13.777 5.869 ( 7.179 5.484 0.000) 9.034 5.937 ( 1.107 -0.339 0.000) 1.157 6.073 ( -2.954 -0.019 0.000) 2.954 6.183 ( 7.339 -0.424 0.000) 7.351 6.186 ( -8.781 0.704 0.000) 8.809 6.213 ( 4.287 10.126 0.000) 10.996 6.256 ( -11.094 -3.553 0.000) 11.649 6.301 ( -1.587 1.628 0.000) 2.274 6.370 ( -7.250 6.144 0.000) 9.503 6.442 ( -4.502 0.613 0.000) 4.544 6.534 ( -11.982 -0.077 0.000) 11.983 6.608 ( -2.418 -4.253 0.000) 4.892 6.633 ( -12.402 -8.999 0.000) 15.323 6.799 ( -5.233 -3.525 0.000) 6.309 6.872 ( -1.290 0.096 0.000) 1.294 7.079 ( -6.685 15.899 0.000) 17.247 7.232 ( -3.961 -14.850 0.000) 15.369 7.272 ( -9.094 -0.508 0.000) 9.108 7.395 ( -6.405 1.218 0.000) 6.520 7.567 ( -8.243 3.524 0.000) 8.965 7.583 ( -0.079 3.041 0.000) 3.042 7.739 ( -19.251 0.217 0.000) 19.252 7.824 ( -1.703 10.734 0.000) 10.868 7.914 ( 0.773 13.816 0.000) 13.838 7.979 ( -2.197 6.884 0.000) 7.226 8.056 ( -0.300 -2.985 0.000) 3.000 8.110 ( -7.064 3.370 0.000) 7.827 8.404 ( -15.142 -0.810 0.000) 15.164 8.421 ( 9.351 6.675 0.000) 11.489 8.477 ( 2.736 1.103 0.000) 2.950 8.544 ( -12.380 -0.840 0.000) 12.408 8.632 ( 22.863 3.072 0.000) 23.069 8.697 ( -1.036 2.930 0.000) 3.108 8.763 ( 7.190 -2.953 0.000) 7.773 8.888 ( -12.003 -6.796 0.000) 13.793 8.928 ( -8.586 -12.262 0.000) 14.969 8.966 ( -15.468 1.451 0.000) 15.535 8.972 ( 3.210 -1.355 0.000) 3.485 9.090 ( 12.735 -8.290 0.000) 15.195 9.137 ( -4.583 -11.348 0.000) 12.238 9.294 ( -5.299 0.747 0.000) 5.352 9.427 ( -2.521 -8.196 0.000) 8.575 9.515 ( -2.876 0.600 0.000) 2.938 9.539 ( 0.046 -1.734 0.000) 1.734 9.541 ( 3.527 7.415 0.000) 8.211 9.674 ( 1.241 2.118 0.000) 2.455 9.807 ( -6.839 8.425 0.000) 10.852 9.860 ( 1.510 -1.112 0.000) 1.875 9.932 ( 4.844 -5.601 0.000) 7.405 9.937 ( -2.446 -0.951 0.000) 2.624 10.046 ( -5.605 2.430 0.000) 6.109 10.100 ( 0.436 3.994 0.000) 4.018 10.229 ( 1.855 -1.329 0.000) 2.282 10.249 ( -4.501 -3.443 0.000) 5.667 10.257 ( 2.597 -0.427 0.000) 2.631 10.331 ( 1.227 1.308 0.000) 1.793 10.357 ( -8.099 6.807 0.000) 10.580 10.405 ( -2.618 -7.024 0.000) 7.496 10.488 ( -9.144 0.981 0.000) 9.197 10.495 ( -1.531 -3.572 0.000) 3.886 10.620 ( 4.774 2.866 0.000) 5.568 10.737 ( 7.664 -0.135 0.000) 7.665 10.871 ( -3.136 3.215 0.000) 4.491 10.907 ( 9.246 0.615 0.000) 9.266 10.961 ( -4.785 0.254 0.000) 4.792 11.001 ( 4.762 0.557 0.000) 4.794 11.169 ( 3.038 0.037 0.000) 3.038 11.270 ( 5.035 1.481 0.000) 5.248 11.284 ( 1.802 -0.700 0.000) 1.934 11.286 ( 8.610 -0.422 0.000) 8.621 11.344 ( 6.051 -1.082 0.000) 6.147 11.351 ( 2.274 -4.103 0.000) 4.691 11.568 ( 8.956 7.645 0.000) 11.775 11.650 ( -0.299 1.532 0.000) 1.561 11.724 ( -1.461 -0.502 0.000) 1.545 11.813 ( -3.833 -4.821 0.000) 6.159 11.830 ( 5.438 2.250 0.000) 5.885 11.858 ( -4.940 10.326 0.000) 11.447 11.895 ( 3.416 3.756 0.000) 5.077 11.956 ( -2.779 1.045 0.000) 2.969 11.996 ( 1.499 -0.463 0.000) 1.569 12.026 ( 10.299 -1.798 0.000) 10.455 12.114 ( -2.699 4.992 0.000) 5.674 12.155 ( 4.298 1.287 0.000) 4.486 12.210 ( 0.451 -5.689 0.000) 5.707 12.232 ( -6.050 -1.914 0.000) 6.345 12.321 ( -6.824 -1.293 0.000) 6.945 12.402 ( -4.715 -1.902 0.000) 5.084 12.547 ( -3.817 -4.739 0.000) 6.085 12.606 ( 0.313 6.444 0.000) 6.451 12.712 ( -1.882 -2.244 0.000) 2.929 12.785 ( -7.218 -15.356 0.000) 16.968 12.786 ( -3.757 5.312 0.000) 6.507 12.839 ( -0.399 3.859 0.000) 3.879 12.886 ( -2.036 7.866 0.000) 8.126 12.940 ( 1.254 -3.119 0.000) 3.362 12.986 ( -3.783 -2.807 0.000) 4.710 13.049 ( -2.920 3.490 0.000) 4.551 13.169 ( -4.327 -2.073 0.000) 4.798 13.206 ( -0.271 2.226 0.000) 2.243 13.256 ( 3.730 0.064 0.000) 3.731 13.295 ( -0.642 -3.064 0.000) 3.131 13.339 ( 5.009 -0.598 0.000) 5.044 13.388 ( 4.535 -4.510 0.000) 6.396 13.494 ( -11.509 2.484 0.000) 11.774 13.536 ( -8.752 1.516 0.000) 8.883 13.546 ( 1.825 3.444 0.000) 3.897 13.693 ( -7.998 3.751 0.000) 8.834 13.770 ( 2.349 5.856 0.000) 6.309 13.855 ( 3.993 -5.390 0.000) 6.708 13.862 ( -2.999 -8.014 0.000) 8.557 13.951 ( 0.128 0.337 0.000) 0.360 14.067 ( -0.688 -5.964 0.000) 6.003 14.158 ( -3.090 -8.224 0.000) 8.786 14.251 ( 5.215 4.943 0.000) 7.186 14.375 ( 9.385 -1.647 0.000) 9.528 14.474 ( -5.018 3.681 0.000) 6.223 14.545 ( 5.928 -0.380 0.000) 5.940 14.895 ( 4.418 -0.112 0.000) 4.420 14.929 ( 4.281 -0.106 0.000) 4.283 15.002 ( 0.344 1.153 0.000) 1.203 15.113 ( 4.979 -4.451 0.000) 6.679 15.201 ( -5.231 -1.589 0.000) 5.468 15.243 ( -6.673 -4.375 0.000) 7.979 15.356 ( 4.303 7.710 0.000) 8.830 15.513 ( -4.839 9.571 0.000) 10.724 15.585 ( -7.655 -3.931 0.000) 8.606 15.814 ( -3.858 -4.125 0.000) 5.648 15.988 ( 0.150 1.115 0.000) 1.125 16.038 ( 3.083 -0.896 0.000) 3.210 16.191 ( 4.633 1.577 0.000) 4.894 16.274 ( 2.490 -2.919 0.000) 3.836 16.287 ( 3.483 1.966 0.000) 4.000 16.378 ( 4.069 3.561 0.000) 5.407 16.420 ( 1.403 5.270 0.000) 5.454 16.597 ( -7.138 -2.230 0.000) 7.478 16.619 ( 1.764 -4.641 0.000) 4.964 16.709 ( -5.081 -0.504 0.000) 5.106 17.071 ( 2.429 3.300 0.000) 4.097 17.091 ( 3.066 2.503 0.000) 3.958 17.187 ( 3.610 -2.145 0.000) 4.199 17.289 ( 5.455 -8.333 0.000) 9.959 17.632 ( 3.472 0.716 0.000) 3.546 17.701 ( 7.328 -2.706 0.000) 7.811 17.987 ( -7.102 11.889 0.000) 13.848 18.199 ( -1.397 -1.587 0.000) 2.114 18.466 ( 2.293 1.506 0.000) 2.743 18.534 ( 2.322 -0.646 0.000) 2.410 19.663 ( 1.674 6.482 0.000) 6.695 20.036 ( -5.439 -10.165 0.000) 11.529 20.601 ( 7.648 3.597 0.000) 8.451 20.658 ( 2.085 0.040 0.000) 2.085 20.659 ( 2.259 -0.042 0.000) 2.259 20.864 ( 2.587 -11.138 0.000) 11.435 21.176 ( 0.813 2.980 0.000) 3.088 21.272 ( -5.135 0.212 0.000) 5.139 21.281 ( -4.834 -0.221 0.000) 4.839 21.325 ( -2.449 -1.765 0.000) 3.019 21.777 ( -3.355 -0.034 0.000) 3.355 21.897 ( -6.587 -4.820 0.000) 8.162 22.212 ( -2.549 4.327 0.000) 5.022 22.385 ( -2.094 -2.905 0.000) 3.581 22.476 ( -9.520 13.410 0.000) 16.446 22.774 ( -9.268 -3.563 0.000) 9.930 24.991 ( 2.674 0.345 0.000) 2.696 25.008 ( 2.695 -0.399 0.000) 2.724 25.432 ( -2.393 1.300 0.000) 2.723 25.488 ( -2.914 -1.214 0.000) 3.157 28.945 ( 1.534 0.343 0.000) 1.572 28.963 ( 1.296 -0.456 0.000) 1.374 29.138 ( -0.708 0.922 0.000) 1.162 29.178 ( -1.548 -0.836 0.000) 1.760 29.654 ( 9.053 0.487 0.000) 9.067 29.671 ( 10.379 -0.224 0.000) 10.381 30.079 ( 7.568 3.386 0.000) 8.291 30.329 ( 4.716 -9.168 0.000) 10.309 34.375 ( -2.320 2.751 0.000) 3.598 34.453 ( -3.010 -1.138 0.000) 3.218 34.476 ( -2.550 0.451 0.000) 2.590 34.499 ( -2.154 -0.580 0.000) 2.231 97.625 ( 1.659 0.267 0.000) 1.681 97.637 ( 1.648 -0.271 0.000) 1.670 97.900 ( -1.693 0.165 0.000) 1.701 97.907 ( -1.759 -0.158 0.000) 1.766 99.942 ( -1.651 6.829 0.000) 7.026 100.162 ( -3.567 -4.415 0.000) 5.676 100.314 ( -3.343 1.129 0.000) 3.528 100.334 ( -5.887 0.704 0.000) 5.929 ======================= Grid point 14 (10/72) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 38.755 18.900 0.000) 43.118 2.735 ( 39.900 11.755 0.000) 41.595 3.420 ( 29.563 -24.038 0.000) 38.103 3.650 ( 25.280 -29.353 0.000) 38.739 4.347 ( 16.046 23.920 0.000) 28.803 4.391 ( 36.544 12.257 0.000) 38.544 4.624 ( 21.983 14.500 0.000) 26.334 4.683 ( -3.014 3.706 0.000) 4.777 4.745 ( 6.681 5.726 0.000) 8.799 4.795 ( -8.017 -1.016 0.000) 8.081 4.891 ( 9.570 4.650 0.000) 10.639 4.978 ( 5.371 -6.409 0.000) 8.362 5.056 ( 1.953 -8.291 0.000) 8.517 5.104 ( 4.977 1.054 0.000) 5.087 5.128 ( -7.658 -5.669 0.000) 9.528 5.217 ( -13.332 -3.937 0.000) 13.901 5.350 ( 3.889 -10.070 0.000) 10.795 5.460 ( -6.353 1.460 0.000) 6.519 5.479 ( 13.478 -15.163 0.000) 20.287 5.572 ( -2.420 -2.193 0.000) 3.266 5.639 ( 6.500 0.554 0.000) 6.524 5.789 ( 2.040 4.728 0.000) 5.149 5.823 ( -3.399 -2.917 0.000) 4.479 6.014 ( -9.736 0.824 0.000) 9.771 6.077 ( -0.336 -1.613 0.000) 1.648 6.106 ( -0.078 -0.250 0.000) 0.262 6.131 ( 4.206 1.795 0.000) 4.573 6.211 ( -10.068 1.628 0.000) 10.199 6.233 ( -5.366 6.496 0.000) 8.426 6.239 ( -3.226 5.217 0.000) 6.134 6.324 ( 4.004 -3.443 0.000) 5.281 6.333 ( 11.403 5.177 0.000) 12.523 6.492 ( -0.339 -9.265 0.000) 9.271 6.550 ( -4.511 -5.812 0.000) 7.357 6.597 ( 15.561 -3.669 0.000) 15.988 6.631 ( -11.976 -12.588 0.000) 17.375 6.855 ( -0.832 4.344 0.000) 4.423 7.007 ( -0.516 14.458 0.000) 14.467 7.037 ( -12.149 1.949 0.000) 12.305 7.105 ( -10.874 -2.984 0.000) 11.276 7.227 ( -10.066 -0.438 0.000) 10.075 7.365 ( -10.914 -1.250 0.000) 10.985 7.404 ( -11.196 2.818 0.000) 11.545 7.546 ( -4.592 -0.779 0.000) 4.658 7.769 ( -4.315 10.140 0.000) 11.020 7.895 ( -5.004 13.209 0.000) 14.125 7.906 ( -5.662 -0.319 0.000) 5.671 8.007 ( -16.415 0.053 0.000) 16.415 8.018 ( -4.862 -0.272 0.000) 4.869 8.051 ( -3.551 -2.743 0.000) 4.487 8.226 ( -9.983 3.712 0.000) 10.650 8.302 ( -23.260 -4.437 0.000) 23.680 8.441 ( -18.398 -5.902 0.000) 19.321 8.634 ( 6.550 -1.035 0.000) 6.632 8.716 ( 9.017 5.304 0.000) 10.461 8.759 ( -6.322 -13.406 0.000) 14.822 8.868 ( 12.528 1.085 0.000) 12.575 9.016 ( 3.348 -9.082 0.000) 9.680 9.050 ( 0.305 4.605 0.000) 4.615 9.156 ( -6.566 -6.728 0.000) 9.401 9.163 ( 19.984 2.796 0.000) 20.179 9.180 ( -1.653 3.691 0.000) 4.045 9.219 ( 6.741 -0.421 0.000) 6.754 9.410 ( -5.530 4.177 0.000) 6.930 9.439 ( 3.646 -2.766 0.000) 4.576 9.558 ( 3.104 -0.435 0.000) 3.134 9.650 ( 1.404 6.599 0.000) 6.746 9.691 ( -1.668 6.282 0.000) 6.499 9.705 ( 1.491 1.144 0.000) 1.879 9.871 ( 0.347 4.445 0.000) 4.458 9.910 ( -3.395 1.125 0.000) 3.577 9.965 ( -0.927 -3.447 0.000) 3.570 10.037 ( -1.398 -4.054 0.000) 4.289 10.125 ( -12.182 -0.193 0.000) 12.183 10.127 ( -1.446 2.759 0.000) 3.115 10.148 ( -3.467 -4.946 0.000) 6.040 10.195 ( -9.048 -1.621 0.000) 9.192 10.239 ( -5.843 1.631 0.000) 6.067 10.288 ( 0.867 -1.175 0.000) 1.461 10.302 ( 1.707 -0.144 0.000) 1.713 10.446 ( 2.739 -3.367 0.000) 4.341 10.469 ( -1.358 -2.507 0.000) 2.851 10.691 ( 2.052 4.334 0.000) 4.795 10.813 ( -2.033 2.909 0.000) 3.549 10.814 ( -2.287 -0.883 0.000) 2.452 10.912 ( 3.262 3.368 0.000) 4.689 11.004 ( -0.720 -2.287 0.000) 2.398 11.044 ( -1.095 -3.872 0.000) 4.024 11.205 ( 1.863 1.364 0.000) 2.309 11.322 ( 0.417 -0.820 0.000) 0.920 11.342 ( 2.970 0.140 0.000) 2.973 11.440 ( 4.293 -3.625 0.000) 5.619 11.440 ( 7.208 0.203 0.000) 7.211 11.493 ( 9.482 -2.543 0.000) 9.817 11.586 ( -5.669 0.868 0.000) 5.735 11.628 ( -1.692 3.577 0.000) 3.957 11.637 ( -9.451 1.414 0.000) 9.556 11.749 ( 6.839 5.105 0.000) 8.534 11.768 ( -4.263 6.312 0.000) 7.616 11.897 ( -4.190 0.797 0.000) 4.265 11.938 ( 1.418 0.900 0.000) 1.680 11.978 ( 1.137 -1.411 0.000) 1.812 12.004 ( -1.406 1.797 0.000) 2.282 12.108 ( 1.794 2.584 0.000) 3.145 12.117 ( -4.308 -4.474 0.000) 6.211 12.173 ( 1.987 0.994 0.000) 2.222 12.222 ( 2.210 2.187 0.000) 3.109 12.253 ( -0.538 -1.383 0.000) 1.484 12.280 ( 6.845 -8.513 0.000) 10.924 12.382 ( 3.276 -6.810 0.000) 7.557 12.523 ( -5.447 -8.995 0.000) 10.516 12.549 ( 2.501 -7.268 0.000) 7.687 12.702 ( 2.142 2.641 0.000) 3.400 12.710 ( -3.897 4.169 0.000) 5.706 12.778 ( 3.171 8.414 0.000) 8.992 12.850 ( -1.263 3.020 0.000) 3.274 12.854 ( -0.700 6.033 0.000) 6.074 12.878 ( -2.528 -1.491 0.000) 2.935 12.976 ( -9.704 4.210 0.000) 10.578 13.007 ( -4.143 -0.064 0.000) 4.143 13.013 ( 3.797 -1.835 0.000) 4.217 13.149 ( -6.150 2.266 0.000) 6.554 13.167 ( -3.615 3.486 0.000) 5.022 13.280 ( -1.085 -1.450 0.000) 1.811 13.291 ( -5.564 -2.204 0.000) 5.985 13.352 ( -5.023 -5.999 0.000) 7.824 13.501 ( 2.527 -0.701 0.000) 2.622 13.587 ( 12.210 -4.914 0.000) 13.162 13.594 ( 3.136 2.474 0.000) 3.994 13.688 ( 3.117 7.825 0.000) 8.423 13.805 ( -1.399 0.335 0.000) 1.439 13.820 ( 1.102 -1.215 0.000) 1.640 13.905 ( 3.258 -4.412 0.000) 5.485 14.022 ( 4.388 -0.998 0.000) 4.500 14.045 ( -1.756 -4.466 0.000) 4.799 14.123 ( 0.592 -6.464 0.000) 6.491 14.343 ( 5.025 5.292 0.000) 7.297 14.423 ( 1.037 8.553 0.000) 8.616 14.512 ( 4.862 -2.643 0.000) 5.534 14.593 ( -0.988 -0.461 0.000) 1.091 14.917 ( -2.745 0.222 0.000) 2.754 14.924 ( -7.090 2.252 0.000) 7.439 14.978 ( -1.513 -2.397 0.000) 2.834 15.031 ( -10.525 -2.602 0.000) 10.841 15.122 ( -2.860 -1.753 0.000) 3.355 15.149 ( -1.190 -2.715 0.000) 2.964 15.414 ( -5.193 9.845 0.000) 11.131 15.552 ( 11.960 0.890 0.000) 11.993 15.579 ( 5.945 -0.339 0.000) 5.955 15.687 ( -8.408 -1.089 0.000) 8.478 15.966 ( -2.453 -2.609 0.000) 3.581 16.082 ( 0.133 -4.105 0.000) 4.107 16.258 ( -6.200 0.999 0.000) 6.280 16.295 ( 5.702 0.487 0.000) 5.723 16.334 ( 3.638 -1.992 0.000) 4.148 16.342 ( -2.816 -1.112 0.000) 3.028 16.457 ( 2.348 4.902 0.000) 5.435 16.570 ( 3.264 4.105 0.000) 5.244 16.643 ( 0.608 -4.348 0.000) 4.390 16.670 ( -0.487 0.463 0.000) 0.672 17.109 ( 1.528 3.398 0.000) 3.726 17.167 ( 4.563 1.992 0.000) 4.979 17.232 ( 0.821 -2.290 0.000) 2.432 17.356 ( 2.127 -8.297 0.000) 8.565 17.660 ( -0.702 2.171 0.000) 2.282 17.774 ( -2.754 -1.400 0.000) 3.089 17.995 ( 9.007 7.938 0.000) 12.006 18.219 ( 2.864 -2.547 0.000) 3.832 18.515 ( 2.549 0.744 0.000) 2.655 18.578 ( 1.975 -1.372 0.000) 2.405 19.695 ( 1.876 5.354 0.000) 5.673 19.939 ( -4.423 -5.310 0.000) 6.911 20.706 ( 3.132 1.414 0.000) 3.436 20.710 ( 3.372 0.134 0.000) 3.375 20.716 ( 3.632 -0.138 0.000) 3.634 20.847 ( -2.696 -4.813 0.000) 5.517 21.158 ( -6.462 0.332 0.000) 6.470 21.173 ( -6.237 -0.339 0.000) 6.246 21.187 ( 0.402 3.416 0.000) 3.439 21.306 ( -0.345 -0.893 0.000) 0.957 21.735 ( -1.633 -3.413 0.000) 3.783 21.783 ( -4.361 -3.898 0.000) 5.849 22.160 ( -2.510 4.641 0.000) 5.276 22.317 ( -6.926 8.416 0.000) 10.900 22.349 ( -1.581 -1.487 0.000) 2.170 22.601 ( -8.322 -4.160 0.000) 9.304 25.053 ( 3.740 0.338 0.000) 3.756 25.069 ( 3.682 -0.378 0.000) 3.701 25.375 ( -3.442 1.041 0.000) 3.596 25.420 ( -4.064 -0.971 0.000) 4.178 28.980 ( 2.000 0.266 0.000) 2.018 28.992 ( 1.723 -0.299 0.000) 1.749 29.121 ( -1.101 0.513 0.000) 1.214 29.144 ( -1.909 -0.505 0.000) 1.974 29.841 ( 9.883 0.872 0.000) 9.921 29.885 ( 11.236 -1.123 0.000) 11.291 30.191 ( 3.839 3.605 0.000) 5.266 30.376 ( 0.503 -4.851 0.000) 4.877 34.340 ( -1.371 1.695 0.000) 2.180 34.402 ( -2.088 -1.138 0.000) 2.378 34.423 ( -2.835 0.625 0.000) 2.903 34.453 ( -2.455 -0.719 0.000) 2.558 97.663 ( 2.248 0.259 0.000) 2.263 97.674 ( 2.212 -0.261 0.000) 2.227 97.862 ( -2.255 0.139 0.000) 2.259 97.868 ( -2.287 -0.134 0.000) 2.290 99.940 ( 1.128 3.689 0.000) 3.858 100.104 ( -2.281 -4.328 0.000) 4.892 100.229 ( -4.865 1.340 0.000) 5.046 100.240 ( -4.329 0.449 0.000) 4.352 ======================= Grid point 15 (11/72) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.434 ( 37.214 12.426 0.000) 39.234 3.474 ( 36.336 8.436 0.000) 37.302 3.979 ( 27.554 -17.995 0.000) 32.910 4.104 ( 20.894 -20.419 0.000) 29.215 4.554 ( -7.178 6.302 0.000) 9.552 4.621 ( -6.265 6.031 0.000) 8.696 4.642 ( 2.132 10.055 0.000) 10.278 4.664 ( -9.224 6.440 0.000) 11.250 4.688 ( -1.242 1.020 0.000) 1.607 4.865 ( 5.120 1.548 0.000) 5.349 4.932 ( -7.983 -4.128 0.000) 8.987 4.971 ( -9.058 -1.261 0.000) 9.146 5.031 ( -6.442 -0.850 0.000) 6.498 5.077 ( -0.331 -7.262 0.000) 7.270 5.174 ( 12.571 0.793 0.000) 12.596 5.308 ( 7.278 -3.442 0.000) 8.051 5.356 ( -3.283 4.758 0.000) 5.781 5.448 ( 8.511 2.477 0.000) 8.864 5.540 ( -3.115 -2.020 0.000) 3.712 5.548 ( -1.227 -0.676 0.000) 1.401 5.713 ( 0.495 1.090 0.000) 1.197 5.778 ( -3.424 0.853 0.000) 3.529 5.810 ( -0.730 -3.773 0.000) 3.844 5.899 ( 0.623 -5.775 0.000) 5.808 6.045 ( -2.425 3.195 0.000) 4.011 6.133 ( 4.541 3.991 0.000) 6.045 6.135 ( -3.812 2.144 0.000) 4.373 6.196 ( 6.860 4.226 0.000) 8.057 6.253 ( 9.874 -4.085 0.000) 10.686 6.285 ( 4.441 -1.724 0.000) 4.764 6.410 ( -5.312 -9.445 0.000) 10.836 6.430 ( 4.701 2.798 0.000) 5.470 6.468 ( -3.625 -3.415 0.000) 4.980 6.490 ( 1.729 0.136 0.000) 1.735 6.631 ( 12.353 -2.517 0.000) 12.607 6.744 ( -9.062 -4.353 0.000) 10.053 6.781 ( -7.122 6.146 0.000) 9.407 6.846 ( -13.593 7.430 0.000) 15.492 6.941 ( 13.946 4.064 0.000) 14.527 7.006 ( -10.064 7.000 0.000) 12.259 7.204 ( -5.226 1.337 0.000) 5.395 7.223 ( 13.577 -1.081 0.000) 13.620 7.260 ( -8.085 -3.422 0.000) 8.779 7.442 ( -7.528 -4.294 0.000) 8.666 7.560 ( -12.914 3.519 0.000) 13.385 7.681 ( -13.598 7.785 0.000) 15.669 7.762 ( -3.249 -8.943 0.000) 9.516 7.782 ( -13.465 4.304 0.000) 14.136 7.883 ( 4.529 1.101 0.000) 4.661 8.036 ( 2.273 -4.461 0.000) 5.007 8.088 ( -0.193 -10.314 0.000) 10.316 8.237 ( -4.775 -8.435 0.000) 9.693 8.274 ( 11.913 12.300 0.000) 17.124 8.661 ( -2.295 -7.704 0.000) 8.038 8.694 ( -6.237 -4.691 0.000) 7.804 8.867 ( -16.157 -1.335 0.000) 16.212 8.894 ( 7.418 2.420 0.000) 7.802 9.021 ( -0.691 -3.107 0.000) 3.183 9.030 ( -2.142 -6.938 0.000) 7.261 9.051 ( -2.142 -0.574 0.000) 2.218 9.241 ( 7.902 11.618 0.000) 14.050 9.241 ( -1.932 0.854 0.000) 2.113 9.247 ( -3.399 1.312 0.000) 3.643 9.486 ( 0.960 -1.868 0.000) 2.100 9.515 ( -12.017 9.740 0.000) 15.469 9.535 ( 6.333 3.404 0.000) 7.190 9.632 ( 8.432 -2.579 0.000) 8.818 9.669 ( -4.469 1.247 0.000) 4.639 9.757 ( -3.278 4.442 0.000) 5.521 9.828 ( -4.856 0.780 0.000) 4.918 9.873 ( -5.345 -0.976 0.000) 5.434 9.881 ( -0.063 1.983 0.000) 1.984 9.931 ( 7.095 3.948 0.000) 8.119 9.967 ( 0.246 8.405 0.000) 8.408 10.033 ( -5.086 0.680 0.000) 5.131 10.105 ( -3.023 -5.250 0.000) 6.058 10.147 ( -5.150 3.648 0.000) 6.311 10.263 ( 6.928 -1.859 0.000) 7.173 10.361 ( 5.432 -4.453 0.000) 7.025 10.401 ( 5.375 -4.412 0.000) 6.953 10.422 ( -5.189 2.158 0.000) 5.620 10.458 ( -0.925 -0.110 0.000) 0.931 10.693 ( -1.143 2.995 0.000) 3.206 10.768 ( -1.636 -1.539 0.000) 2.246 10.812 ( 2.033 0.180 0.000) 2.041 10.945 ( -1.925 -4.721 0.000) 5.098 10.974 ( 1.377 -4.546 0.000) 4.750 10.979 ( -4.701 -3.663 0.000) 5.960 11.229 ( -0.703 1.577 0.000) 1.727 11.274 ( -4.043 -1.449 0.000) 4.294 11.379 ( -0.687 -0.542 0.000) 0.875 11.412 ( -1.582 -0.837 0.000) 1.790 11.474 ( -3.946 0.991 0.000) 4.069 11.553 ( 4.687 6.640 0.000) 8.128 11.568 ( -4.300 -1.535 0.000) 4.566 11.654 ( 1.267 -1.622 0.000) 2.058 11.670 ( 7.731 -2.046 0.000) 7.997 11.721 ( 3.176 0.880 0.000) 3.295 11.812 ( -1.743 0.510 0.000) 1.816 11.848 ( -1.722 -2.508 0.000) 3.042 11.888 ( -3.521 1.353 0.000) 3.772 11.946 ( -2.661 -1.108 0.000) 2.882 12.019 ( -0.801 -0.925 0.000) 1.224 12.021 ( 2.982 8.069 0.000) 8.602 12.135 ( 0.289 3.333 0.000) 3.345 12.192 ( -1.728 -3.427 0.000) 3.838 12.211 ( -1.032 3.539 0.000) 3.687 12.284 ( 1.029 -1.549 0.000) 1.860 12.360 ( 4.342 -5.509 0.000) 7.014 12.509 ( 7.853 -5.035 0.000) 9.329 12.517 ( 2.987 -7.186 0.000) 7.782 12.612 ( 3.359 -7.331 0.000) 8.064 12.655 ( -1.088 0.198 0.000) 1.106 12.671 ( -7.062 3.043 0.000) 7.689 12.752 ( -5.214 -4.375 0.000) 6.806 12.754 ( -6.850 2.089 0.000) 7.162 12.856 ( 3.611 11.422 0.000) 11.979 12.897 ( 1.028 6.023 0.000) 6.110 12.960 ( 6.675 1.663 0.000) 6.879 13.015 ( 4.804 1.998 0.000) 5.202 13.047 ( -5.079 2.369 0.000) 5.604 13.073 ( -2.906 2.773 0.000) 4.017 13.118 ( 3.077 -0.542 0.000) 3.124 13.218 ( -8.325 -4.848 0.000) 9.634 13.238 ( -2.570 -2.923 0.000) 3.892 13.240 ( -2.978 -1.834 0.000) 3.498 13.535 ( 2.628 2.705 0.000) 3.771 13.661 ( 3.724 2.937 0.000) 4.743 13.670 ( -0.658 -0.075 0.000) 0.662 13.781 ( -1.365 1.357 0.000) 1.925 13.841 ( 1.592 -0.101 0.000) 1.595 13.875 ( 10.518 -1.839 0.000) 10.678 13.987 ( 5.433 -1.829 0.000) 5.732 13.991 ( -3.910 -2.692 0.000) 4.747 14.099 ( 5.929 2.353 0.000) 6.379 14.227 ( 7.477 -3.253 0.000) 8.155 14.453 ( 6.126 2.968 0.000) 6.807 14.477 ( 0.911 1.134 0.000) 1.455 14.535 ( -3.023 -0.285 0.000) 3.036 14.572 ( 1.570 -1.970 0.000) 2.519 14.783 ( -6.523 1.077 0.000) 6.611 14.821 ( -9.638 -0.738 0.000) 9.666 14.828 ( -4.457 -0.028 0.000) 4.457 14.868 ( -6.842 -2.977 0.000) 7.462 15.092 ( -1.850 1.518 0.000) 2.393 15.143 ( -1.491 -1.013 0.000) 1.802 15.347 ( -0.405 7.143 0.000) 7.155 15.520 ( -8.123 0.939 0.000) 8.177 15.713 ( 6.277 0.166 0.000) 6.279 15.735 ( 6.256 -0.717 0.000) 6.297 15.909 ( -2.669 -5.175 0.000) 5.822 15.994 ( -6.886 -6.782 0.000) 9.665 16.215 ( 1.234 3.706 0.000) 3.906 16.298 ( -2.309 0.331 0.000) 2.333 16.388 ( 3.395 -0.127 0.000) 3.397 16.400 ( 2.594 -1.002 0.000) 2.781 16.518 ( 4.118 3.531 0.000) 5.424 16.631 ( 2.633 1.514 0.000) 3.038 16.640 ( -0.991 -2.385 0.000) 2.583 16.672 ( 0.275 0.113 0.000) 0.297 17.136 ( 1.482 2.038 0.000) 2.520 17.220 ( -1.824 -1.741 0.000) 2.521 17.262 ( 5.136 1.929 0.000) 5.486 17.384 ( 0.449 -4.127 0.000) 4.152 17.628 ( -1.743 1.902 0.000) 2.580 17.693 ( -4.251 0.276 0.000) 4.260 18.179 ( 8.010 2.581 0.000) 8.416 18.275 ( 2.167 -1.159 0.000) 2.457 18.560 ( 2.095 -0.152 0.000) 2.100 18.603 ( 0.439 -1.550 0.000) 1.611 19.741 ( 2.815 3.880 0.000) 4.793 19.864 ( -3.472 -1.445 0.000) 3.761 20.739 ( 0.903 -0.615 0.000) 1.092 20.788 ( 4.640 0.247 0.000) 4.646 20.794 ( -2.474 -2.675 0.000) 3.644 20.799 ( 4.862 -0.250 0.000) 4.868 21.030 ( -6.512 0.384 0.000) 6.523 21.047 ( -6.542 -0.387 0.000) 6.553 21.198 ( 0.964 2.858 0.000) 3.016 21.284 ( -2.221 -0.734 0.000) 2.340 21.707 ( -0.442 -2.471 0.000) 2.511 21.741 ( -1.047 -3.974 0.000) 4.110 22.126 ( -0.738 5.211 0.000) 5.263 22.204 ( -4.715 7.235 0.000) 8.636 22.338 ( 0.522 -2.771 0.000) 2.820 22.462 ( -5.950 -3.935 0.000) 7.133 25.132 ( 4.322 0.359 0.000) 4.337 25.149 ( 4.479 -0.375 0.000) 4.494 25.301 ( -4.159 0.762 0.000) 4.229 25.334 ( -4.758 -0.715 0.000) 4.812 29.021 ( 2.202 0.152 0.000) 2.208 29.028 ( 1.897 -0.160 0.000) 1.904 29.096 ( -1.499 0.193 0.000) 1.511 29.105 ( -2.093 -0.213 0.000) 2.104 30.019 ( 8.187 1.161 0.000) 8.268 30.085 ( 8.822 -2.129 0.000) 9.075 30.226 ( 0.042 3.332 0.000) 3.332 30.353 ( -2.865 -2.735 0.000) 3.961 34.324 ( -0.157 1.236 0.000) 1.246 34.371 ( -2.317 0.647 0.000) 2.406 34.376 ( -0.629 -0.894 0.000) 1.094 34.409 ( -1.995 -0.845 0.000) 2.167 97.710 ( 2.613 0.234 0.000) 2.624 97.721 ( 2.532 -0.236 0.000) 2.543 97.814 ( -2.622 0.148 0.000) 2.626 97.821 ( -2.544 -0.145 0.000) 2.548 99.979 ( 2.723 2.053 0.000) 3.410 100.076 ( -0.803 -2.537 0.000) 2.661 100.144 ( -3.854 0.660 0.000) 3.910 100.160 ( -3.527 0.113 0.000) 3.529 ======================= Grid point 16 (12/72) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.094 ( -28.827 6.171 0.000) 29.480 4.094 ( 28.827 6.171 0.000) 29.480 4.120 ( -29.699 5.769 0.000) 30.254 4.120 ( 29.699 5.769 0.000) 30.254 4.455 ( -19.643 -10.557 0.000) 22.300 4.455 ( 19.643 -10.557 0.000) 22.300 4.527 ( -11.529 -3.118 0.000) 11.943 4.527 ( 11.529 -3.118 0.000) 11.943 4.804 ( -7.359 4.148 0.000) 8.448 4.804 ( 7.359 4.148 0.000) 8.448 4.928 ( -2.514 -0.103 0.000) 2.516 4.928 ( 2.514 -0.103 0.000) 2.516 4.963 ( -6.303 -7.480 0.000) 9.782 4.963 ( 6.303 -7.480 0.000) 9.782 5.402 ( -7.885 6.281 0.000) 10.081 5.402 ( 7.885 6.281 0.000) 10.081 5.404 ( -9.576 0.609 0.000) 9.595 5.404 ( 9.576 0.609 0.000) 9.595 5.465 ( -7.590 -1.101 0.000) 7.669 5.465 ( 7.590 -1.101 0.000) 7.669 5.727 ( -1.315 3.523 0.000) 3.760 5.727 ( 1.315 3.523 0.000) 3.760 5.873 ( -4.631 -10.407 0.000) 11.391 5.873 ( 4.631 -10.407 0.000) 11.391 6.053 ( -3.791 3.173 0.000) 4.943 6.053 ( 3.791 3.173 0.000) 4.943 6.281 ( -2.164 -4.841 0.000) 5.303 6.281 ( 2.164 -4.841 0.000) 5.303 6.328 ( -13.072 7.525 0.000) 15.083 6.328 ( 13.072 7.525 0.000) 15.083 6.422 ( -5.348 -2.294 0.000) 5.819 6.422 ( 5.348 -2.294 0.000) 5.819 6.470 ( -3.908 1.887 0.000) 4.339 6.470 ( 3.908 1.887 0.000) 4.340 6.666 ( -2.779 6.740 0.000) 7.291 6.666 ( 2.779 6.740 0.000) 7.291 6.755 ( -5.949 -5.656 0.000) 8.209 6.755 ( 5.949 -5.656 0.000) 8.209 6.961 ( -11.572 0.980 0.000) 11.613 6.961 ( 11.572 0.980 0.000) 11.613 7.134 ( -1.231 -1.414 0.000) 1.875 7.134 ( 1.231 -1.414 0.000) 1.875 7.378 ( -7.650 5.770 0.000) 9.582 7.378 ( 7.650 5.770 0.000) 9.582 7.572 ( -15.035 -1.599 0.000) 15.120 7.572 ( 15.035 -1.599 0.000) 15.120 7.604 ( -4.626 7.390 0.000) 8.718 7.604 ( 4.626 7.390 0.000) 8.718 8.124 ( -5.280 -7.154 0.000) 8.892 8.124 ( 5.280 -7.154 0.000) 8.892 8.150 ( -4.753 -12.051 0.000) 12.955 8.150 ( 4.753 -12.051 0.000) 12.955 8.445 ( -4.486 5.372 0.000) 6.999 8.445 ( 4.486 5.372 0.000) 6.999 8.673 ( -5.942 -5.154 0.000) 7.866 8.673 ( 5.942 -5.154 0.000) 7.866 8.942 ( -2.065 -5.430 0.000) 5.810 8.942 ( 2.065 -5.430 0.000) 5.810 8.990 ( -2.954 0.828 0.000) 3.068 8.990 ( 2.954 0.828 0.000) 3.068 9.217 ( -0.361 1.477 0.000) 1.521 9.217 ( 0.361 1.477 0.000) 1.521 9.383 ( -5.824 9.868 0.000) 11.458 9.383 ( 5.824 9.868 0.000) 11.458 9.569 ( -7.002 -1.204 0.000) 7.105 9.569 ( 7.002 -1.204 0.000) 7.105 9.627 ( -5.981 2.680 0.000) 6.554 9.627 ( 5.981 2.680 0.000) 6.554 9.793 ( -1.549 -1.179 0.000) 1.947 9.793 ( 1.549 -1.179 0.000) 1.947 9.799 ( -5.438 -0.651 0.000) 5.477 9.799 ( 5.438 -0.651 0.000) 5.477 10.006 ( -2.488 -4.164 0.000) 4.851 10.006 ( 2.488 -4.164 0.000) 4.851 10.032 ( -5.260 12.980 0.000) 14.005 10.032 ( 5.260 12.980 0.000) 14.005 10.233 ( -13.240 7.424 0.000) 15.179 10.233 ( 13.240 7.424 0.000) 15.179 10.402 ( -5.390 -1.054 0.000) 5.493 10.402 ( 5.390 -1.054 0.000) 5.493 10.434 ( -1.729 -3.763 0.000) 4.141 10.434 ( 1.729 -3.763 0.000) 4.141 10.712 ( -3.218 -0.870 0.000) 3.333 10.712 ( 3.218 -0.870 0.000) 3.333 10.883 ( -4.864 -1.869 0.000) 5.210 10.883 ( 4.864 -1.869 0.000) 5.210 10.966 ( -2.285 -9.415 0.000) 9.689 10.966 ( 2.285 -9.415 0.000) 9.689 11.210 ( -1.303 -0.065 0.000) 1.304 11.210 ( 1.303 -0.065 0.000) 1.304 11.393 ( -1.974 -2.087 0.000) 2.873 11.393 ( 1.974 -2.087 0.000) 2.873 11.472 ( -3.674 2.857 0.000) 4.654 11.472 ( 3.674 2.857 0.000) 4.654 11.627 ( -2.706 3.231 0.000) 4.214 11.627 ( 2.706 3.231 0.000) 4.214 11.746 ( -2.390 -0.394 0.000) 2.423 11.746 ( 2.390 -0.394 0.000) 2.423 11.803 ( -3.474 -4.658 0.000) 5.810 11.803 ( 3.474 -4.658 0.000) 5.810 11.898 ( -3.786 1.895 0.000) 4.234 11.898 ( 3.786 1.895 0.000) 4.234 12.089 ( -3.700 7.320 0.000) 8.202 12.089 ( 3.700 7.320 0.000) 8.202 12.103 ( -6.334 -4.487 0.000) 7.762 12.103 ( 6.334 -4.487 0.000) 7.762 12.253 ( -3.596 0.604 0.000) 3.646 12.253 ( 3.596 0.604 0.000) 3.646 12.493 ( -8.143 -1.192 0.000) 8.230 12.493 ( 8.143 -1.192 0.000) 8.230 12.613 ( -2.682 -3.016 0.000) 4.036 12.613 ( 2.682 -3.016 0.000) 4.036 12.618 ( -5.935 -0.091 0.000) 5.935 12.618 ( 5.935 -0.091 0.000) 5.935 12.690 ( -2.114 -6.169 0.000) 6.521 12.690 ( 2.114 -6.169 0.000) 6.521 12.932 ( -4.209 5.650 0.000) 7.045 12.932 ( 4.209 5.650 0.000) 7.045 12.973 ( -6.812 4.777 0.000) 8.320 12.973 ( 6.812 4.777 0.000) 8.320 13.068 ( -5.469 0.455 0.000) 5.488 13.068 ( 5.469 0.455 0.000) 5.488 13.151 ( -6.080 -0.585 0.000) 6.108 13.151 ( 6.080 -0.585 0.000) 6.108 13.188 ( -2.996 -3.038 0.000) 4.267 13.188 ( 2.996 -3.038 0.000) 4.267 13.612 ( -4.517 1.900 0.000) 4.900 13.612 ( 4.517 1.900 0.000) 4.900 13.733 ( -3.445 3.530 0.000) 4.932 13.733 ( 3.445 3.530 0.000) 4.932 13.904 ( -4.540 -1.588 0.000) 4.810 13.904 ( 4.540 -1.588 0.000) 4.810 14.017 ( -3.623 -2.144 0.000) 4.210 14.017 ( 3.623 -2.144 0.000) 4.210 14.261 ( -6.967 3.152 0.000) 7.647 14.261 ( 6.967 3.152 0.000) 7.647 14.473 ( -4.117 -4.978 0.000) 6.459 14.473 ( 4.117 -4.978 0.000) 6.459 14.559 ( -3.781 -0.354 0.000) 3.798 14.559 ( 3.781 -0.354 0.000) 3.798 14.711 ( -0.464 0.791 0.000) 0.917 14.711 ( 0.464 0.791 0.000) 0.917 14.796 ( -1.121 0.432 0.000) 1.201 14.796 ( 1.121 0.432 0.000) 1.201 15.086 ( -2.747 0.705 0.000) 2.836 15.086 ( 2.747 0.705 0.000) 2.836 15.396 ( -4.651 3.691 0.000) 5.938 15.396 ( 4.651 3.691 0.000) 5.938 15.786 ( -0.802 -0.545 0.000) 0.969 15.786 ( 0.802 -0.545 0.000) 0.969 15.899 ( -2.261 -6.269 0.000) 6.664 15.899 ( 2.261 -6.269 0.000) 6.664 16.253 ( -2.297 2.142 0.000) 3.141 16.253 ( 2.297 2.142 0.000) 3.141 16.423 ( -0.265 -0.409 0.000) 0.488 16.423 ( 0.265 -0.409 0.000) 0.488 16.598 ( -3.475 0.842 0.000) 3.575 16.598 ( 3.475 0.842 0.000) 3.575 16.667 ( -1.007 0.019 0.000) 1.007 16.667 ( 1.007 0.019 0.000) 1.007 17.174 ( -2.475 -0.209 0.000) 2.484 17.174 ( 2.475 -0.209 0.000) 2.484 17.353 ( -3.728 0.623 0.000) 3.780 17.353 ( 3.728 0.623 0.000) 3.780 17.628 ( -2.058 0.134 0.000) 2.063 17.628 ( 2.058 0.134 0.000) 2.063 18.279 ( -2.258 0.554 0.000) 2.325 18.279 ( 2.258 0.554 0.000) 2.325 18.594 ( -1.247 -1.171 0.000) 1.711 18.594 ( 1.247 -1.171 0.000) 1.711 19.800 ( -3.236 1.674 0.000) 3.643 19.800 ( 3.236 1.674 0.000) 3.643 20.758 ( -1.271 -1.622 0.000) 2.060 20.758 ( 1.271 -1.622 0.000) 2.060 20.871 ( -1.332 0.075 0.000) 1.334 20.871 ( 1.332 0.075 0.000) 1.334 20.943 ( -1.509 -0.077 0.000) 1.511 20.943 ( 1.509 -0.077 0.000) 1.511 21.232 ( -2.583 0.734 0.000) 2.686 21.232 ( 2.583 0.734 0.000) 2.686 21.719 ( -1.232 -2.942 0.000) 3.190 21.719 ( 1.232 -2.942 0.000) 3.190 22.138 ( -2.012 6.068 0.000) 6.393 22.138 ( 2.012 6.068 0.000) 6.393 22.373 ( -3.208 -3.409 0.000) 4.681 22.373 ( 3.208 -3.409 0.000) 4.681 25.217 ( -4.439 0.513 0.000) 4.468 25.217 ( 4.439 0.513 0.000) 4.468 25.240 ( -4.899 -0.497 0.000) 4.924 25.240 ( 4.899 -0.497 0.000) 4.924 29.062 ( -0.555 -0.071 0.000) 0.560 29.062 ( 0.555 -0.071 0.000) 0.560 29.065 ( -0.358 0.056 0.000) 0.362 29.065 ( 0.358 0.056 0.000) 0.362 30.142 ( -3.826 0.552 0.000) 3.866 30.142 ( 3.826 0.552 0.000) 3.866 30.269 ( -5.345 -0.629 0.000) 5.382 30.269 ( 5.345 -0.629 0.000) 5.382 34.335 ( -1.263 0.989 0.000) 1.604 34.335 ( 1.263 0.989 0.000) 1.604 34.380 ( -0.911 -0.950 0.000) 1.316 34.380 ( 0.911 -0.950 0.000) 1.316 97.762 ( -2.693 0.181 0.000) 2.699 97.762 ( 2.693 0.181 0.000) 2.699 97.771 ( -2.578 -0.181 0.000) 2.584 97.771 ( 2.578 -0.181 0.000) 2.584 100.040 ( -3.291 0.822 0.000) 3.392 100.040 ( 3.291 0.822 0.000) 3.392 100.113 ( -1.101 -0.760 0.000) 1.338 100.113 ( 1.101 -0.760 0.000) 1.338 ======================= Grid point 22 (13/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.000 -42.661 0.000) 42.661 1.547 ( 0.000 42.661 0.000) 42.661 1.581 ( 0.000 -42.966 0.000) 42.966 1.581 ( 0.000 42.966 0.000) 42.966 2.907 ( 0.000 -78.800 0.000) 78.800 2.907 ( 0.000 78.800 0.000) 78.800 4.279 ( 0.000 -28.552 0.000) 28.552 4.279 ( 0.000 28.552 0.000) 28.552 4.307 ( 0.000 -30.256 0.000) 30.256 4.307 ( 0.000 30.256 0.000) 30.256 4.534 ( 0.000 -3.592 0.000) 3.592 4.534 ( 0.000 3.592 0.000) 3.592 4.939 ( 0.000 -12.887 0.000) 12.887 4.939 ( 0.000 12.887 0.000) 12.887 5.069 ( 0.000 -3.368 0.000) 3.368 5.069 ( 0.000 3.368 0.000) 3.368 5.503 ( 0.000 -0.762 0.000) 0.762 5.503 ( 0.000 0.762 0.000) 0.762 5.891 ( 0.000 -14.588 0.000) 14.588 5.891 ( 0.000 14.588 0.000) 14.588 5.910 ( 0.000 -13.300 0.000) 13.300 5.910 ( 0.000 13.300 0.000) 13.300 5.941 ( 0.000 -11.124 0.000) 11.124 5.941 ( 0.000 11.124 0.000) 11.124 6.016 ( 0.000 -9.811 0.000) 9.811 6.016 ( 0.000 9.811 0.000) 9.811 6.329 ( 0.000 -4.498 0.000) 4.498 6.329 ( 0.000 4.498 0.000) 4.498 6.378 ( 0.000 -13.166 0.000) 13.166 6.378 ( 0.000 13.166 0.000) 13.166 6.540 ( 0.000 -4.923 0.000) 4.923 6.540 ( 0.000 4.923 0.000) 4.923 6.802 ( 0.000 -2.232 0.000) 2.232 6.802 ( 0.000 2.232 0.000) 2.232 6.913 ( 0.000 -4.675 0.000) 4.675 6.913 ( 0.000 4.675 0.000) 4.675 7.056 ( 0.000 -10.304 0.000) 10.304 7.056 ( 0.000 10.304 0.000) 10.304 7.343 ( 0.000 -3.133 0.000) 3.133 7.343 ( 0.000 3.133 0.000) 3.133 7.594 ( 0.000 -2.781 0.000) 2.781 7.594 ( 0.000 2.781 0.000) 2.781 7.852 ( 0.000 -19.299 0.000) 19.299 7.852 ( 0.000 19.299 0.000) 19.299 7.992 ( 0.000 -6.378 0.000) 6.378 7.992 ( 0.000 6.378 0.000) 6.378 8.053 ( 0.000 -4.465 0.000) 4.465 8.053 ( 0.000 4.465 0.000) 4.465 8.178 ( 0.000 -7.216 0.000) 7.216 8.178 ( 0.000 7.216 0.000) 7.216 8.220 ( 0.000 -11.957 0.000) 11.957 8.220 ( 0.000 11.957 0.000) 11.957 8.539 ( 0.000 -11.251 0.000) 11.251 8.539 ( 0.000 11.251 0.000) 11.251 8.624 ( 0.000 -2.815 0.000) 2.815 8.624 ( 0.000 2.815 0.000) 2.815 8.919 ( 0.000 -11.150 0.000) 11.150 8.919 ( 0.000 11.150 0.000) 11.150 9.025 ( 0.000 -1.115 0.000) 1.115 9.025 ( 0.000 1.115 0.000) 1.115 9.397 ( 0.000 -10.258 0.000) 10.258 9.397 ( 0.000 10.258 0.000) 10.258 9.523 ( 0.000 -1.400 0.000) 1.400 9.523 ( 0.000 1.400 0.000) 1.400 9.623 ( 0.000 -4.487 0.000) 4.487 9.623 ( 0.000 4.487 0.000) 4.487 9.693 ( 0.000 -4.625 0.000) 4.625 9.693 ( 0.000 4.625 0.000) 4.625 9.848 ( 0.000 -3.467 0.000) 3.467 9.848 ( 0.000 3.467 0.000) 3.467 9.946 ( 0.000 -1.129 0.000) 1.129 9.946 ( 0.000 1.129 0.000) 1.129 10.063 ( 0.000 -6.069 0.000) 6.069 10.063 ( 0.000 6.069 0.000) 6.069 10.133 ( 0.000 -5.370 0.000) 5.370 10.133 ( 0.000 5.370 0.000) 5.370 10.374 ( 0.000 -7.131 0.000) 7.131 10.374 ( 0.000 7.131 0.000) 7.131 10.378 ( 0.000 -3.609 0.000) 3.609 10.378 ( 0.000 3.609 0.000) 3.609 10.507 ( 0.000 -4.612 0.000) 4.612 10.507 ( 0.000 4.612 0.000) 4.612 10.523 ( 0.000 -0.997 0.000) 0.997 10.523 ( 0.000 0.997 0.000) 0.997 10.838 ( 0.000 -2.237 0.000) 2.237 10.838 ( 0.000 2.237 0.000) 2.237 10.866 ( 0.000 -9.660 0.000) 9.660 10.866 ( 0.000 9.660 0.000) 9.660 11.126 ( 0.000 -0.138 0.000) 0.138 11.126 ( 0.000 0.138 0.000) 0.138 11.153 ( 0.000 -4.714 0.000) 4.714 11.153 ( 0.000 4.714 0.000) 4.714 11.265 ( 0.000 -7.946 0.000) 7.946 11.265 ( 0.000 7.946 0.000) 7.946 11.481 ( 0.000 -1.400 0.000) 1.400 11.481 ( 0.000 1.400 0.000) 1.400 11.622 ( 0.000 -1.856 0.000) 1.856 11.622 ( 0.000 1.856 0.000) 1.856 11.752 ( 0.000 -4.526 0.000) 4.526 11.752 ( 0.000 4.526 0.000) 4.526 11.964 ( 0.000 -1.288 0.000) 1.288 11.964 ( 0.000 1.288 0.000) 1.288 12.151 ( 0.000 -1.094 0.000) 1.094 12.151 ( 0.000 1.094 0.000) 1.094 12.279 ( 0.000 -1.812 0.000) 1.812 12.279 ( 0.000 1.812 0.000) 1.812 12.419 ( 0.000 -1.856 0.000) 1.856 12.419 ( 0.000 1.856 0.000) 1.856 12.564 ( 0.000 -4.057 0.000) 4.057 12.564 ( 0.000 4.057 0.000) 4.057 12.672 ( 0.000 -8.923 0.000) 8.923 12.672 ( 0.000 8.923 0.000) 8.923 12.754 ( 0.000 -5.882 0.000) 5.882 12.754 ( 0.000 5.882 0.000) 5.882 12.864 ( 0.000 -1.559 0.000) 1.559 12.864 ( 0.000 1.559 0.000) 1.559 12.944 ( 0.000 -3.390 0.000) 3.390 12.944 ( 0.000 3.390 0.000) 3.390 13.143 ( 0.000 -2.158 0.000) 2.158 13.143 ( 0.000 2.158 0.000) 2.158 13.171 ( 0.000 -2.556 0.000) 2.556 13.171 ( 0.000 2.556 0.000) 2.556 13.187 ( 0.000 -1.954 0.000) 1.954 13.187 ( 0.000 1.954 0.000) 1.954 13.269 ( 0.000 -7.418 0.000) 7.418 13.269 ( 0.000 7.418 0.000) 7.418 13.525 ( 0.000 -3.241 0.000) 3.241 13.525 ( 0.000 3.241 0.000) 3.241 13.607 ( 0.000 -9.972 0.000) 9.972 13.607 ( 0.000 9.972 0.000) 9.972 13.969 ( 0.000 -8.088 0.000) 8.088 13.969 ( 0.000 8.088 0.000) 8.088 13.982 ( 0.000 -8.555 0.000) 8.555 13.982 ( 0.000 8.555 0.000) 8.555 14.039 ( 0.000 -0.502 0.000) 0.502 14.039 ( 0.000 0.502 0.000) 0.502 14.144 ( 0.000 -2.462 0.000) 2.462 14.144 ( 0.000 2.462 0.000) 2.462 14.418 ( 0.000 -2.628 0.000) 2.628 14.418 ( 0.000 2.628 0.000) 2.628 14.831 ( 0.000 -3.454 0.000) 3.454 14.831 ( 0.000 3.454 0.000) 3.454 14.852 ( 0.000 -0.839 0.000) 0.839 14.852 ( 0.000 0.839 0.000) 0.839 15.429 ( 0.000 -0.839 0.000) 0.839 15.429 ( 0.000 0.839 0.000) 0.839 15.673 ( 0.000 -12.981 0.000) 12.981 15.673 ( 0.000 12.981 0.000) 12.981 15.704 ( 0.000 -5.222 0.000) 5.222 15.704 ( 0.000 5.222 0.000) 5.222 15.911 ( 0.000 -2.579 0.000) 2.579 15.911 ( 0.000 2.579 0.000) 2.579 16.130 ( 0.000 -2.721 0.000) 2.721 16.130 ( 0.000 2.721 0.000) 2.721 16.175 ( 0.000 -3.800 0.000) 3.800 16.175 ( 0.000 3.800 0.000) 3.800 16.479 ( 0.000 -4.229 0.000) 4.229 16.479 ( 0.000 4.229 0.000) 4.229 16.898 ( 0.000 -5.681 0.000) 5.681 16.898 ( 0.000 5.681 0.000) 5.681 17.036 ( 0.000 -1.981 0.000) 1.981 17.036 ( 0.000 1.981 0.000) 1.981 17.068 ( 0.000 -2.534 0.000) 2.534 17.068 ( 0.000 2.534 0.000) 2.534 17.511 ( 0.000 -3.081 0.000) 3.081 17.511 ( 0.000 3.081 0.000) 3.081 18.370 ( 0.000 -3.763 0.000) 3.763 18.370 ( 0.000 3.763 0.000) 3.763 18.619 ( 0.000 -8.998 0.000) 8.998 18.619 ( 0.000 8.998 0.000) 8.998 19.728 ( 0.000 -0.256 0.000) 0.256 19.728 ( 0.000 0.256 0.000) 0.256 20.358 ( 0.000 -0.414 0.000) 0.414 20.358 ( 0.000 0.414 0.000) 0.414 20.618 ( 0.000 -0.042 0.000) 0.042 20.618 ( 0.000 0.042 0.000) 0.042 21.317 ( 0.000 -8.834 0.000) 8.834 21.317 ( 0.000 8.834 0.000) 8.834 21.379 ( 0.000 -0.079 0.000) 0.079 21.379 ( 0.000 0.079 0.000) 0.079 22.005 ( 0.000 -1.280 0.000) 1.280 22.005 ( 0.000 1.280 0.000) 1.280 22.354 ( 0.000 -5.352 0.000) 5.352 22.354 ( 0.000 5.352 0.000) 5.352 23.007 ( 0.000 -0.078 0.000) 0.078 23.007 ( 0.000 0.078 0.000) 0.078 24.945 ( 0.000 -0.432 0.000) 0.432 24.945 ( 0.000 0.432 0.000) 0.432 25.512 ( 0.000 -2.118 0.000) 2.118 25.512 ( 0.000 2.118 0.000) 2.118 28.924 ( 0.000 -0.707 0.000) 0.707 28.924 ( 0.000 0.707 0.000) 0.707 29.182 ( 0.000 -1.835 0.000) 1.835 29.182 ( 0.000 1.835 0.000) 1.835 29.457 ( 0.000 -0.105 0.000) 0.105 29.457 ( 0.000 0.105 0.000) 0.105 29.830 ( 0.000 -0.723 0.000) 0.723 29.830 ( 0.000 0.723 0.000) 0.723 34.520 ( 0.000 -0.417 0.000) 0.417 34.520 ( 0.000 0.417 0.000) 0.417 34.540 ( 0.000 -0.042 0.000) 0.042 34.540 ( 0.000 0.042 0.000) 0.042 97.597 ( 0.000 -0.386 0.000) 0.386 97.597 ( 0.000 0.386 0.000) 0.386 97.939 ( 0.000 -0.271 0.000) 0.271 97.939 ( 0.000 0.271 0.000) 0.271 100.228 ( 0.000 -2.046 0.000) 2.046 100.228 ( 0.000 2.046 0.000) 2.046 100.474 ( 0.000 -1.644 0.000) 1.644 100.474 ( 0.000 1.644 0.000) 1.644 ======================= Grid point 24 (14/72) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 23.207 -36.658 0.000) 43.386 1.789 ( 23.207 36.658 0.000) 43.386 1.922 ( 29.418 -37.190 0.000) 47.419 1.922 ( 29.418 37.190 0.000) 47.419 3.181 ( 28.306 -67.992 0.000) 73.649 3.181 ( 28.306 67.992 0.000) 73.649 4.368 ( 6.175 -29.117 0.000) 29.764 4.368 ( 6.175 29.117 0.000) 29.764 4.419 ( 12.487 -24.313 0.000) 27.332 4.419 ( 12.487 24.313 0.000) 27.332 4.581 ( 5.862 -4.711 0.000) 7.521 4.581 ( 5.862 4.711 0.000) 7.521 4.931 ( -1.163 -12.221 0.000) 12.277 4.931 ( -1.163 12.221 0.000) 12.277 5.064 ( -0.089 -2.577 0.000) 2.578 5.064 ( -0.089 2.577 0.000) 2.578 5.516 ( 0.986 -1.815 0.000) 2.066 5.516 ( 0.986 1.815 0.000) 2.066 5.689 ( -16.486 -7.422 0.000) 18.079 5.689 ( -16.486 7.422 0.000) 18.079 5.828 ( -3.826 -14.706 0.000) 15.195 5.828 ( -3.826 14.706 0.000) 15.195 5.964 ( 3.568 -12.046 0.000) 12.563 5.964 ( 3.568 12.046 0.000) 12.563 6.104 ( -0.873 -6.480 0.000) 6.539 6.104 ( -0.873 6.480 0.000) 6.539 6.309 ( -0.306 -6.265 0.000) 6.273 6.309 ( -0.306 6.265 0.000) 6.273 6.378 ( -0.061 -11.295 0.000) 11.295 6.378 ( -0.061 11.295 0.000) 11.295 6.417 ( -8.625 -3.950 0.000) 9.487 6.417 ( -8.625 3.950 0.000) 9.487 6.785 ( -3.545 -5.447 0.000) 6.499 6.785 ( -3.545 5.447 0.000) 6.499 6.808 ( -10.604 -2.900 0.000) 10.993 6.808 ( -10.604 2.900 0.000) 10.993 7.034 ( -2.119 -11.421 0.000) 11.616 7.034 ( -2.119 11.421 0.000) 11.616 7.328 ( -1.659 -2.196 0.000) 2.752 7.328 ( -1.659 2.196 0.000) 2.752 7.570 ( -2.755 -5.384 0.000) 6.048 7.570 ( -2.755 5.384 0.000) 6.048 7.840 ( -3.808 -11.967 0.000) 12.558 7.840 ( -3.808 11.967 0.000) 12.558 7.975 ( -0.694 -5.801 0.000) 5.842 7.975 ( -0.694 5.801 0.000) 5.842 8.122 ( 1.466 -7.204 0.000) 7.352 8.122 ( 1.466 7.204 0.000) 7.352 8.274 ( 6.645 -14.163 0.000) 15.645 8.274 ( 6.645 14.163 0.000) 15.645 8.314 ( 14.535 -5.031 0.000) 15.381 8.314 ( 14.535 5.031 0.000) 15.381 8.580 ( 0.353 -6.128 0.000) 6.139 8.580 ( 0.353 6.128 0.000) 6.139 8.628 ( 1.559 -12.354 0.000) 12.452 8.628 ( 1.559 12.354 0.000) 12.452 8.844 ( -1.247 -1.962 0.000) 2.325 8.844 ( -1.247 1.962 0.000) 2.325 8.966 ( -8.369 -7.212 0.000) 11.048 8.966 ( -8.369 7.212 0.000) 11.048 9.367 ( -3.912 -3.254 0.000) 5.089 9.367 ( -3.912 3.254 0.000) 5.089 9.383 ( -18.672 -3.853 0.000) 19.066 9.383 ( -18.672 3.853 0.000) 19.066 9.540 ( -1.083 -0.200 0.000) 1.102 9.540 ( -1.083 0.200 0.000) 1.102 9.634 ( -1.207 -5.548 0.000) 5.678 9.634 ( -1.207 5.548 0.000) 5.678 9.838 ( -0.369 -3.567 0.000) 3.586 9.838 ( -0.369 3.567 0.000) 3.586 9.974 ( 1.363 -1.754 0.000) 2.221 9.974 ( 1.363 1.754 0.000) 2.221 10.166 ( 6.772 -0.972 0.000) 6.841 10.166 ( 6.772 0.972 0.000) 6.841 10.184 ( 2.230 -5.779 0.000) 6.194 10.184 ( 2.230 5.779 0.000) 6.194 10.265 ( -8.170 -4.070 0.000) 9.127 10.265 ( -8.170 4.070 0.000) 9.127 10.477 ( -3.129 -3.882 0.000) 4.986 10.477 ( -3.129 3.882 0.000) 4.986 10.479 ( 6.848 -6.896 0.000) 9.718 10.479 ( 6.848 6.896 0.000) 9.718 10.570 ( 3.626 -4.742 0.000) 5.970 10.570 ( 3.626 4.742 0.000) 5.970 10.874 ( 2.198 -9.202 0.000) 9.461 10.874 ( 2.198 9.202 0.000) 9.461 10.892 ( 4.500 -1.238 0.000) 4.667 10.892 ( 4.500 1.238 0.000) 4.667 11.192 ( 5.914 -2.862 0.000) 6.571 11.192 ( 5.914 2.862 0.000) 6.571 11.204 ( 4.420 -4.769 0.000) 6.502 11.204 ( 4.420 4.769 0.000) 6.502 11.239 ( -2.021 -6.197 0.000) 6.518 11.239 ( -2.021 6.197 0.000) 6.518 11.508 ( 4.351 -2.263 0.000) 4.904 11.508 ( 4.351 2.263 0.000) 4.904 11.670 ( 4.029 -4.125 0.000) 5.766 11.670 ( 4.029 4.125 0.000) 5.766 11.851 ( 8.033 -3.924 0.000) 8.941 11.851 ( 8.033 3.924 0.000) 8.941 11.970 ( 0.491 -1.015 0.000) 1.128 11.970 ( 0.491 1.015 0.000) 1.128 12.116 ( -10.784 -1.394 0.000) 10.874 12.116 ( -10.784 1.394 0.000) 10.874 12.129 ( -2.103 -2.529 0.000) 3.289 12.129 ( -2.103 2.529 0.000) 3.289 12.313 ( -7.398 -6.710 0.000) 9.988 12.313 ( -7.398 6.710 0.000) 9.988 12.578 ( -2.328 -2.812 0.000) 3.651 12.578 ( -2.328 2.812 0.000) 3.651 12.588 ( -6.513 -13.018 0.000) 14.556 12.588 ( -6.513 13.018 0.000) 14.556 12.753 ( -6.091 -2.890 0.000) 6.742 12.753 ( -6.091 2.890 0.000) 6.742 12.871 ( 0.244 -1.456 0.000) 1.476 12.871 ( 0.244 1.456 0.000) 1.476 13.001 ( 6.669 -5.606 0.000) 8.713 13.001 ( 6.669 5.606 0.000) 8.713 13.019 ( -8.496 -4.595 0.000) 9.659 13.019 ( -8.496 4.595 0.000) 9.659 13.190 ( 2.575 -0.746 0.000) 2.681 13.190 ( 2.575 0.746 0.000) 2.681 13.202 ( 2.898 -4.973 0.000) 5.756 13.202 ( 2.898 4.973 0.000) 5.756 13.246 ( -1.600 -6.018 0.000) 6.227 13.246 ( -1.600 6.018 0.000) 6.227 13.610 ( 5.332 -4.636 0.000) 7.066 13.610 ( 5.332 4.636 0.000) 7.066 13.650 ( 2.158 -10.126 0.000) 10.354 13.650 ( 2.158 10.126 0.000) 10.354 13.871 ( -8.527 -6.618 0.000) 10.794 13.871 ( -8.527 6.618 0.000) 10.794 13.942 ( -1.260 -7.805 0.000) 7.906 13.942 ( -1.260 7.805 0.000) 7.906 14.123 ( -6.998 -7.317 0.000) 10.125 14.123 ( -6.998 7.317 0.000) 10.125 14.161 ( 9.427 -1.387 0.000) 9.529 14.161 ( 9.427 1.387 0.000) 9.529 14.440 ( 4.272 -3.826 0.000) 5.735 14.440 ( 4.272 3.826 0.000) 5.735 14.845 ( 2.282 -2.606 0.000) 3.464 14.845 ( 2.282 2.606 0.000) 3.464 14.915 ( 6.294 -0.595 0.000) 6.322 14.915 ( 6.294 0.595 0.000) 6.322 15.328 ( -7.244 -1.650 0.000) 7.430 15.328 ( -7.244 1.650 0.000) 7.430 15.605 ( -6.423 -11.542 0.000) 13.208 15.605 ( -6.423 11.542 0.000) 13.208 15.716 ( -0.420 -6.508 0.000) 6.521 15.716 ( -0.420 6.508 0.000) 6.521 15.981 ( 4.380 -0.931 0.000) 4.478 15.981 ( 4.380 0.931 0.000) 4.478 16.184 ( 1.150 -3.374 0.000) 3.565 16.184 ( 1.150 3.374 0.000) 3.565 16.225 ( 8.462 -4.202 0.000) 9.448 16.225 ( 8.462 4.202 0.000) 9.448 16.493 ( 1.291 -5.206 0.000) 5.364 16.493 ( 1.291 5.206 0.000) 5.364 16.787 ( -8.752 -6.067 0.000) 10.649 16.787 ( -8.752 6.067 0.000) 10.649 17.070 ( 3.136 -2.607 0.000) 4.078 17.070 ( 3.136 2.607 0.000) 4.078 17.108 ( 2.809 -3.435 0.000) 4.437 17.108 ( 2.809 3.435 0.000) 4.437 17.552 ( 4.209 -1.069 0.000) 4.342 17.552 ( 4.209 1.069 0.000) 4.342 18.296 ( -8.608 -1.722 0.000) 8.779 18.296 ( -8.608 1.722 0.000) 8.779 18.512 ( -3.814 -1.987 0.000) 4.301 18.512 ( -3.814 1.987 0.000) 4.301 19.807 ( 3.639 -14.266 0.000) 14.723 19.807 ( 3.639 14.266 0.000) 14.723 20.495 ( 11.906 -4.114 0.000) 12.596 20.495 ( 11.906 4.114 0.000) 12.596 20.628 ( 1.014 -0.018 0.000) 1.015 20.628 ( 1.014 0.018 0.000) 1.015 21.290 ( -2.335 -7.605 0.000) 7.956 21.290 ( -2.335 7.605 0.000) 7.956 21.352 ( -2.735 -0.145 0.000) 2.739 21.352 ( -2.735 0.145 0.000) 2.739 21.939 ( -5.954 -3.512 0.000) 6.913 21.939 ( -5.954 3.512 0.000) 6.913 22.344 ( -1.195 -5.296 0.000) 5.429 22.344 ( -1.195 5.296 0.000) 5.429 22.883 ( -10.567 -5.071 0.000) 11.720 22.883 ( -10.567 5.071 0.000) 11.720 24.959 ( 1.410 -0.479 0.000) 1.489 24.959 ( 1.410 0.479 0.000) 1.489 25.499 ( -1.352 -2.027 0.000) 2.437 25.499 ( -1.352 2.027 0.000) 2.437 28.931 ( 0.784 -0.664 0.000) 1.028 28.931 ( 0.784 0.664 0.000) 1.028 29.176 ( -0.643 -1.663 0.000) 1.783 29.176 ( -0.643 1.663 0.000) 1.783 29.512 ( 5.668 -0.081 0.000) 5.669 29.512 ( 5.668 0.081 0.000) 5.669 29.976 ( 11.576 -5.265 0.000) 12.717 29.976 ( 11.576 5.265 0.000) 12.717 34.486 ( -3.134 -1.786 0.000) 3.607 34.486 ( -3.134 1.786 0.000) 3.607 34.524 ( -1.452 -0.438 0.000) 1.516 34.524 ( -1.452 0.438 0.000) 1.516 97.606 ( 0.883 -0.385 0.000) 0.963 97.606 ( 0.883 0.385 0.000) 0.963 97.930 ( -0.945 -0.260 0.000) 0.980 97.930 ( -0.945 0.260 0.000) 0.980 100.164 ( -5.557 -4.893 0.000) 7.404 100.164 ( -5.557 4.893 0.000) 7.404 100.420 ( -4.293 -2.414 0.000) 4.925 100.420 ( -4.293 2.414 0.000) 4.925 ======================= Grid point 26 (15/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 33.305 -27.272 0.000) 43.046 2.353 ( 33.305 27.272 0.000) 43.046 2.524 ( 31.296 -34.280 0.000) 46.417 2.524 ( 31.296 34.280 0.000) 46.417 3.935 ( 45.452 -42.881 0.000) 62.488 3.935 ( 45.452 42.881 0.000) 62.488 4.534 ( 10.602 -25.849 0.000) 27.938 4.534 ( 10.602 25.849 0.000) 27.938 4.635 ( 9.985 -4.359 0.000) 10.895 4.635 ( 9.985 4.359 0.000) 10.895 4.808 ( 15.315 -15.436 0.000) 21.744 4.808 ( 15.315 15.436 0.000) 21.744 4.875 ( -4.991 -8.704 0.000) 10.033 4.875 ( -4.991 8.704 0.000) 10.033 5.083 ( 2.408 -2.293 0.000) 3.325 5.083 ( 2.408 2.293 0.000) 3.325 5.371 ( -13.854 -7.419 0.000) 15.715 5.371 ( -13.854 7.419 0.000) 15.715 5.542 ( -0.115 -2.980 0.000) 2.983 5.542 ( -0.115 2.980 0.000) 2.983 5.763 ( -2.706 -11.867 0.000) 12.172 5.763 ( -2.706 11.867 0.000) 12.172 6.026 ( -4.596 -7.879 0.000) 9.122 6.026 ( -4.596 7.879 0.000) 9.122 6.071 ( 8.286 -10.052 0.000) 13.026 6.071 ( 8.286 10.052 0.000) 13.026 6.177 ( -9.892 -2.552 0.000) 10.216 6.177 ( -9.892 2.552 0.000) 10.216 6.386 ( 1.357 -7.539 0.000) 7.660 6.386 ( 1.357 7.539 0.000) 7.660 6.397 ( 2.051 -5.694 0.000) 6.052 6.397 ( 2.051 5.694 0.000) 6.052 6.537 ( -15.972 -1.947 0.000) 16.090 6.537 ( -15.972 1.947 0.000) 16.090 6.643 ( -10.737 -9.529 0.000) 14.356 6.643 ( -10.737 9.529 0.000) 14.356 6.996 ( -1.312 -10.880 0.000) 10.959 6.996 ( -1.312 10.880 0.000) 10.959 7.261 ( -6.308 -2.742 0.000) 6.878 7.261 ( -6.308 2.742 0.000) 6.878 7.491 ( -4.697 -9.661 0.000) 10.742 7.491 ( -4.697 9.661 0.000) 10.742 7.667 ( -13.196 -6.384 0.000) 14.659 7.667 ( -13.196 6.384 0.000) 14.659 7.960 ( -1.678 -5.324 0.000) 5.582 7.960 ( -1.678 5.324 0.000) 5.582 8.101 ( -1.986 -6.246 0.000) 6.554 8.101 ( -1.986 6.246 0.000) 6.554 8.290 ( -9.410 -16.703 0.000) 19.171 8.290 ( -9.410 16.703 0.000) 19.171 8.507 ( -2.294 -4.050 0.000) 4.654 8.507 ( -2.294 4.050 0.000) 4.654 8.636 ( 3.983 -14.715 0.000) 15.245 8.636 ( 3.983 14.715 0.000) 15.245 8.712 ( 8.575 -5.401 0.000) 10.134 8.712 ( 8.575 5.401 0.000) 10.134 8.738 ( -9.627 -6.431 0.000) 11.577 8.738 ( -9.627 6.431 0.000) 11.577 8.999 ( 12.427 -5.432 0.000) 13.562 8.999 ( 12.427 5.432 0.000) 13.562 9.007 ( -9.708 -3.696 0.000) 10.388 9.007 ( -9.708 3.696 0.000) 10.388 9.298 ( -3.171 -2.744 0.000) 4.193 9.298 ( -3.171 2.744 0.000) 4.193 9.525 ( -0.984 -0.445 0.000) 1.080 9.525 ( -0.984 0.445 0.000) 1.080 9.657 ( 2.648 -4.418 0.000) 5.151 9.657 ( 2.648 4.418 0.000) 5.151 9.867 ( 3.383 -1.927 0.000) 3.893 9.867 ( 3.383 1.927 0.000) 3.893 9.909 ( -7.972 -3.100 0.000) 8.554 9.909 ( -7.972 3.100 0.000) 8.554 10.111 ( -3.704 -3.921 0.000) 5.394 10.111 ( -3.704 3.921 0.000) 5.394 10.238 ( 1.179 -1.996 0.000) 2.318 10.238 ( 1.179 1.996 0.000) 2.318 10.252 ( 1.145 -5.916 0.000) 6.026 10.252 ( 1.145 5.916 0.000) 6.026 10.415 ( -2.379 -4.892 0.000) 5.440 10.415 ( -2.379 4.892 0.000) 5.440 10.458 ( -8.878 -4.126 0.000) 9.790 10.458 ( -8.878 4.126 0.000) 9.790 10.687 ( 6.918 -4.716 0.000) 8.373 10.687 ( 6.918 4.716 0.000) 8.373 10.946 ( 3.330 -3.599 0.000) 4.904 10.946 ( 3.330 3.599 0.000) 4.904 10.947 ( 0.046 -4.903 0.000) 4.903 10.947 ( 0.046 4.903 0.000) 4.903 11.230 ( 2.507 -5.046 0.000) 5.635 11.230 ( 2.507 5.046 0.000) 5.635 11.297 ( 4.211 -1.694 0.000) 4.539 11.297 ( 4.211 1.694 0.000) 4.539 11.308 ( 6.207 -2.364 0.000) 6.642 11.308 ( 6.207 2.364 0.000) 6.642 11.667 ( 9.191 -4.282 0.000) 10.140 11.667 ( 9.191 4.282 0.000) 10.140 11.716 ( -0.858 -5.264 0.000) 5.334 11.716 ( -0.858 5.264 0.000) 5.334 11.919 ( -1.770 -3.874 0.000) 4.259 11.919 ( -1.770 3.874 0.000) 4.259 11.978 ( -2.108 -1.290 0.000) 2.472 11.978 ( -2.108 1.290 0.000) 2.472 12.040 ( 4.160 -5.534 0.000) 6.923 12.040 ( 4.160 5.534 0.000) 6.923 12.048 ( -2.567 -10.275 0.000) 10.591 12.048 ( -2.567 10.275 0.000) 10.591 12.236 ( -1.495 -6.230 0.000) 6.407 12.236 ( -1.495 6.230 0.000) 6.407 12.450 ( -7.105 -5.198 0.000) 8.804 12.450 ( -7.105 5.198 0.000) 8.804 12.454 ( -7.241 -18.319 0.000) 19.699 12.454 ( -7.241 18.319 0.000) 19.699 12.675 ( 0.866 -1.800 0.000) 1.997 12.675 ( 0.866 1.800 0.000) 1.997 12.870 ( -1.769 -4.387 0.000) 4.730 12.870 ( -1.769 4.387 0.000) 4.730 12.923 ( -1.006 -4.586 0.000) 4.695 12.923 ( -1.006 4.586 0.000) 4.695 13.069 ( 0.520 -6.924 0.000) 6.943 13.069 ( 0.520 6.924 0.000) 6.943 13.163 ( -5.178 -5.948 0.000) 7.886 13.163 ( -5.178 5.948 0.000) 7.886 13.240 ( 1.697 -1.622 0.000) 2.348 13.240 ( 1.697 1.622 0.000) 2.348 13.341 ( 8.007 -1.409 0.000) 8.130 13.341 ( 8.007 1.409 0.000) 8.130 13.538 ( -14.785 -1.516 0.000) 14.862 13.538 ( -14.785 1.516 0.000) 14.862 13.668 ( 0.158 -9.563 0.000) 9.564 13.668 ( 0.158 9.563 0.000) 9.564 13.768 ( 1.359 -4.379 0.000) 4.585 13.768 ( 1.359 4.379 0.000) 4.585 13.933 ( 0.247 -8.550 0.000) 8.553 13.933 ( 0.247 8.550 0.000) 8.553 14.011 ( -1.873 -6.834 0.000) 7.086 14.011 ( -1.873 6.834 0.000) 7.086 14.329 ( 7.231 -3.587 0.000) 8.072 14.329 ( 7.231 3.587 0.000) 8.072 14.526 ( 3.075 -1.964 0.000) 3.649 14.526 ( 3.075 1.964 0.000) 3.649 14.912 ( 3.816 -1.506 0.000) 4.102 14.912 ( 3.816 1.506 0.000) 4.102 15.043 ( 3.751 -3.346 0.000) 5.026 15.043 ( 3.751 3.346 0.000) 5.026 15.195 ( -6.351 -1.153 0.000) 6.455 15.195 ( -6.351 1.153 0.000) 6.455 15.488 ( -2.705 -6.835 0.000) 7.351 15.488 ( -2.705 6.835 0.000) 7.351 15.680 ( -3.280 -9.204 0.000) 9.771 15.680 ( -3.280 9.204 0.000) 9.771 16.031 ( 0.722 -1.621 0.000) 1.775 16.031 ( 0.722 1.621 0.000) 1.775 16.227 ( 3.385 -2.380 0.000) 4.138 16.227 ( 3.385 2.380 0.000) 4.138 16.335 ( 0.539 -4.757 0.000) 4.787 16.335 ( 0.539 4.757 0.000) 4.787 16.522 ( 1.552 -5.983 0.000) 6.181 16.522 ( 1.552 5.983 0.000) 6.181 16.655 ( -3.040 -5.282 0.000) 6.094 16.655 ( -3.040 5.282 0.000) 6.094 17.135 ( 3.073 -3.573 0.000) 4.713 17.135 ( 3.073 3.573 0.000) 4.713 17.163 ( 3.000 -5.672 0.000) 6.417 17.163 ( 3.000 5.672 0.000) 6.417 17.658 ( 5.743 -2.121 0.000) 6.122 17.658 ( 5.743 2.121 0.000) 6.122 18.142 ( -4.941 -5.532 0.000) 7.417 18.142 ( -4.941 5.532 0.000) 7.417 18.506 ( 1.562 -2.461 0.000) 2.915 18.506 ( 1.562 2.461 0.000) 2.915 19.829 ( -0.471 -11.716 0.000) 11.725 19.829 ( -0.471 11.716 0.000) 11.725 20.659 ( 2.171 -0.058 0.000) 2.172 20.659 ( 2.171 0.058 0.000) 2.172 20.696 ( 7.002 -7.349 0.000) 10.150 20.696 ( 7.002 7.349 0.000) 10.150 21.255 ( -0.634 -5.139 0.000) 5.178 21.255 ( -0.634 5.139 0.000) 5.178 21.276 ( -4.985 -0.306 0.000) 4.994 21.276 ( -4.985 0.306 0.000) 4.994 21.815 ( -6.101 -3.879 0.000) 7.230 21.815 ( -6.101 3.879 0.000) 7.230 22.308 ( -2.407 -5.446 0.000) 5.954 22.308 ( -2.407 5.446 0.000) 5.954 22.672 ( -10.493 -8.320 0.000) 13.391 22.672 ( -10.493 8.320 0.000) 13.391 24.999 ( 2.687 -0.528 0.000) 2.738 24.999 ( 2.687 0.528 0.000) 2.738 25.460 ( -2.657 -1.774 0.000) 3.195 25.460 ( -2.657 1.774 0.000) 3.195 28.953 ( 1.442 -0.550 0.000) 1.544 28.953 ( 1.442 0.550 0.000) 1.544 29.158 ( -1.155 -1.228 0.000) 1.686 29.158 ( -1.155 1.228 0.000) 1.686 29.664 ( 9.568 -0.544 0.000) 9.583 29.664 ( 9.568 0.544 0.000) 9.583 30.173 ( 7.943 -7.437 0.000) 10.881 30.173 ( 7.943 7.437 0.000) 10.881 34.423 ( -3.062 -2.311 0.000) 3.836 34.423 ( -3.062 2.311 0.000) 3.836 34.486 ( -2.340 -0.716 0.000) 2.447 34.486 ( -2.340 0.716 0.000) 2.447 97.631 ( 1.654 -0.381 0.000) 1.697 97.631 ( 1.654 0.381 0.000) 1.697 97.904 ( -1.727 -0.228 0.000) 1.742 97.904 ( -1.727 0.228 0.000) 1.742 100.065 ( -3.888 -6.482 0.000) 7.559 100.065 ( -3.888 6.482 0.000) 7.559 100.334 ( -4.615 -0.785 0.000) 4.682 100.334 ( -4.615 0.785 0.000) 4.682 ======================= Grid point 28 (16/72) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 35.147 -20.191 0.000) 40.534 3.023 ( 35.147 20.191 0.000) 40.534 3.128 ( 31.452 -28.585 0.000) 42.501 3.128 ( 31.452 28.585 0.000) 42.501 4.626 ( 17.461 -11.421 0.000) 20.865 4.626 ( 17.461 11.421 0.000) 20.865 4.741 ( 3.394 -11.155 0.000) 11.660 4.741 ( 3.394 11.155 0.000) 11.660 4.765 ( 0.983 -8.704 0.000) 8.760 4.765 ( 0.983 8.704 0.000) 8.760 4.876 ( 11.660 -6.265 0.000) 13.237 4.876 ( 11.660 6.265 0.000) 13.237 5.087 ( 10.889 -14.613 0.000) 18.224 5.087 ( 10.889 14.613 0.000) 18.224 5.143 ( -10.704 -3.541 0.000) 11.274 5.143 ( -10.704 3.541 0.000) 11.274 5.203 ( 17.451 -9.974 0.000) 20.100 5.203 ( 17.451 9.974 0.000) 20.100 5.512 ( -3.074 -3.959 0.000) 5.013 5.512 ( -3.074 3.959 0.000) 5.013 5.726 ( -1.200 -6.703 0.000) 6.810 5.726 ( -1.200 6.703 0.000) 6.810 5.909 ( -6.923 -8.235 0.000) 10.759 5.909 ( -6.923 8.235 0.000) 10.759 6.094 ( 1.401 -1.393 0.000) 1.976 6.094 ( 1.401 1.393 0.000) 1.976 6.211 ( -4.680 -2.468 0.000) 5.290 6.211 ( -4.680 2.468 0.000) 5.290 6.310 ( 4.222 -7.642 0.000) 8.731 6.310 ( 4.222 7.642 0.000) 8.731 6.370 ( -7.179 -8.416 0.000) 11.062 6.370 ( -7.179 8.416 0.000) 11.062 6.431 ( -7.151 -8.712 0.000) 11.271 6.431 ( -7.151 8.712 0.000) 11.271 6.491 ( 10.987 -8.312 0.000) 13.777 6.491 ( 10.987 8.312 0.000) 13.777 6.977 ( -1.788 -8.876 0.000) 9.055 6.977 ( -1.788 8.876 0.000) 9.055 7.080 ( -10.698 -2.961 0.000) 11.100 7.080 ( -10.698 2.961 0.000) 11.100 7.404 ( -12.004 -4.440 0.000) 12.798 7.404 ( -12.004 4.440 0.000) 12.798 7.405 ( -4.615 -14.587 0.000) 15.299 7.405 ( -4.615 14.587 0.000) 15.299 7.863 ( -10.351 -2.875 0.000) 10.743 7.863 ( -10.351 2.875 0.000) 10.743 8.027 ( -11.348 -1.864 0.000) 11.500 8.027 ( -11.348 1.864 0.000) 11.500 8.038 ( -6.227 -1.537 0.000) 6.414 8.038 ( -6.227 1.537 0.000) 6.414 8.300 ( -22.814 -6.851 0.000) 23.821 8.300 ( -22.814 6.851 0.000) 23.821 8.453 ( -1.959 -17.770 0.000) 17.878 8.453 ( -1.959 17.770 0.000) 17.878 8.726 ( 4.594 -8.366 0.000) 9.544 8.726 ( 4.594 8.366 0.000) 9.544 8.848 ( 6.399 -9.111 0.000) 11.133 8.848 ( 6.399 9.111 0.000) 11.133 9.128 ( -2.476 -1.212 0.000) 2.757 9.128 ( -2.476 1.212 0.000) 2.757 9.204 ( 11.717 -1.466 0.000) 11.808 9.204 ( 11.717 1.466 0.000) 11.808 9.310 ( 6.545 -10.676 0.000) 12.522 9.310 ( 6.545 10.676 0.000) 12.522 9.504 ( 0.583 -5.368 0.000) 5.399 9.504 ( 0.583 5.368 0.000) 5.399 9.709 ( 1.386 -0.452 0.000) 1.458 9.709 ( 1.386 0.452 0.000) 1.458 9.816 ( 0.579 -7.380 0.000) 7.403 9.816 ( 0.579 7.380 0.000) 7.403 9.958 ( 5.155 -4.105 0.000) 6.590 9.958 ( 5.155 4.105 0.000) 6.590 10.037 ( -4.032 -6.711 0.000) 7.829 10.037 ( -4.032 6.711 0.000) 7.829 10.154 ( -14.848 -2.224 0.000) 15.014 10.154 ( -14.848 2.224 0.000) 15.014 10.207 ( -5.211 -5.164 0.000) 7.336 10.207 ( -5.211 5.164 0.000) 7.336 10.289 ( -0.519 -0.976 0.000) 1.106 10.289 ( -0.519 0.976 0.000) 1.106 10.423 ( 2.520 -1.836 0.000) 3.118 10.423 ( 2.520 1.836 0.000) 3.118 10.770 ( 1.191 -4.020 0.000) 4.193 10.770 ( 1.191 4.020 0.000) 4.193 10.914 ( -2.428 -7.898 0.000) 8.263 10.914 ( -2.428 7.898 0.000) 8.263 10.966 ( -1.438 -2.383 0.000) 2.783 10.966 ( -1.438 2.383 0.000) 2.783 11.280 ( 0.789 -4.344 0.000) 4.415 11.280 ( 0.789 4.344 0.000) 4.415 11.373 ( 3.831 -3.118 0.000) 4.940 11.373 ( 3.831 3.118 0.000) 4.940 11.455 ( 9.432 -1.462 0.000) 9.545 11.455 ( 9.432 1.462 0.000) 9.545 11.615 ( -8.238 -2.167 0.000) 8.519 11.615 ( -8.238 2.167 0.000) 8.519 11.727 ( -1.425 -6.807 0.000) 6.954 11.727 ( -1.425 6.807 0.000) 6.954 11.870 ( -5.970 -4.117 0.000) 7.252 11.870 ( -5.970 4.117 0.000) 7.252 11.943 ( 1.944 -0.312 0.000) 1.969 11.943 ( 1.944 0.312 0.000) 1.969 12.107 ( 4.921 -9.215 0.000) 10.447 12.107 ( 4.921 9.215 0.000) 10.447 12.136 ( 2.543 -6.300 0.000) 6.794 12.136 ( 2.543 6.300 0.000) 6.794 12.206 ( -0.206 -3.783 0.000) 3.788 12.206 ( -0.206 3.783 0.000) 3.788 12.320 ( -3.547 -11.746 0.000) 12.270 12.320 ( -3.547 11.746 0.000) 12.270 12.408 ( 1.749 -7.376 0.000) 7.580 12.408 ( 1.749 7.376 0.000) 7.580 12.765 ( 5.031 -3.771 0.000) 6.288 12.765 ( 5.031 3.771 0.000) 6.288 12.788 ( -5.491 -4.598 0.000) 7.162 12.788 ( -5.491 4.598 0.000) 7.162 12.957 ( 3.007 -4.589 0.000) 5.487 12.957 ( 3.007 4.589 0.000) 5.487 13.013 ( -6.201 -0.190 0.000) 6.204 13.013 ( -6.201 0.190 0.000) 6.204 13.080 ( -1.567 -11.643 0.000) 11.748 13.080 ( -1.567 11.643 0.000) 11.748 13.234 ( -2.442 -3.579 0.000) 4.333 13.234 ( -2.442 3.579 0.000) 4.333 13.274 ( -7.926 -3.317 0.000) 8.593 13.274 ( -7.926 3.317 0.000) 8.593 13.513 ( 7.260 -2.403 0.000) 7.647 13.513 ( 7.260 2.403 0.000) 7.647 13.680 ( 1.540 -6.897 0.000) 7.067 13.680 ( 1.540 6.897 0.000) 7.067 13.826 ( 4.222 -6.329 0.000) 7.608 13.826 ( 4.222 6.329 0.000) 7.608 13.938 ( -0.174 -7.189 0.000) 7.191 13.938 ( -0.174 7.189 0.000) 7.191 14.022 ( 3.008 -2.799 0.000) 4.109 14.022 ( 3.008 2.799 0.000) 4.109 14.442 ( 4.738 -5.187 0.000) 7.025 14.442 ( 4.738 5.187 0.000) 7.025 14.550 ( -0.243 -4.933 0.000) 4.939 14.550 ( -0.243 4.933 0.000) 4.939 14.935 ( -3.160 -1.948 0.000) 3.712 14.935 ( -3.160 1.948 0.000) 3.712 14.976 ( -8.646 -3.350 0.000) 9.272 14.976 ( -8.646 3.350 0.000) 9.272 15.115 ( -0.734 -1.056 0.000) 1.286 15.115 ( -0.734 1.056 0.000) 1.286 15.569 ( 8.594 -0.853 0.000) 8.636 15.569 ( 8.594 0.853 0.000) 8.636 15.588 ( -5.993 -9.101 0.000) 10.897 15.588 ( -5.993 9.101 0.000) 10.897 15.997 ( -4.459 -5.055 0.000) 6.741 15.997 ( -4.459 5.055 0.000) 6.741 16.294 ( -2.206 -2.972 0.000) 3.701 16.294 ( -2.206 2.972 0.000) 3.701 16.308 ( 4.695 -1.050 0.000) 4.810 16.308 ( 4.695 1.050 0.000) 4.810 16.551 ( 1.554 -5.601 0.000) 5.813 16.551 ( 1.554 5.601 0.000) 5.813 16.648 ( 0.703 -3.281 0.000) 3.355 16.648 ( 0.703 3.281 0.000) 3.355 17.176 ( 1.070 -3.768 0.000) 3.917 17.176 ( 1.070 3.768 0.000) 3.917 17.230 ( 3.996 -5.442 0.000) 6.752 17.230 ( 3.996 5.442 0.000) 6.752 17.717 ( -0.353 -3.869 0.000) 3.885 17.717 ( -0.353 3.869 0.000) 3.885 18.137 ( 4.016 -6.806 0.000) 7.903 18.137 ( 4.016 6.806 0.000) 7.903 18.543 ( 1.941 -2.208 0.000) 2.940 18.543 ( 1.941 2.208 0.000) 2.940 19.817 ( -0.395 -7.755 0.000) 7.765 19.817 ( -0.395 7.755 0.000) 7.765 20.713 ( 3.501 -0.192 0.000) 3.507 20.713 ( 3.501 0.192 0.000) 3.507 20.758 ( 0.389 -4.472 0.000) 4.489 20.758 ( 0.389 4.472 0.000) 4.489 21.165 ( -6.348 -0.475 0.000) 6.366 21.165 ( -6.348 0.475 0.000) 6.366 21.260 ( 0.370 -4.088 0.000) 4.105 21.260 ( 0.370 4.088 0.000) 4.105 21.723 ( -3.195 -1.981 0.000) 3.759 21.723 ( -3.195 1.981 0.000) 3.759 22.260 ( -2.295 -5.719 0.000) 6.162 22.260 ( -2.295 5.719 0.000) 6.162 22.491 ( -8.046 -8.147 0.000) 11.451 22.491 ( -8.046 8.147 0.000) 11.451 25.061 ( 3.717 -0.507 0.000) 3.751 25.061 ( 3.717 0.507 0.000) 3.751 25.398 ( -3.758 -1.420 0.000) 4.018 25.398 ( -3.758 1.420 0.000) 4.018 28.986 ( 1.878 -0.395 0.000) 1.919 28.986 ( 1.878 0.395 0.000) 1.919 29.132 ( -1.521 -0.716 0.000) 1.681 29.132 ( -1.521 0.716 0.000) 1.681 29.862 ( 10.411 -1.349 0.000) 10.498 29.862 ( 10.411 1.349 0.000) 10.498 30.277 ( 2.900 -5.739 0.000) 6.430 30.277 ( 2.900 5.739 0.000) 6.430 34.374 ( -1.906 -1.943 0.000) 2.722 34.374 ( -1.906 1.943 0.000) 2.722 34.437 ( -2.625 -0.951 0.000) 2.792 34.437 ( -2.625 0.951 0.000) 2.792 97.669 ( 2.230 -0.367 0.000) 2.261 97.669 ( 2.230 0.367 0.000) 2.261 97.865 ( -2.271 -0.193 0.000) 2.279 97.865 ( -2.271 0.193 0.000) 2.279 100.020 ( -0.890 -4.949 0.000) 5.029 100.020 ( -0.890 4.949 0.000) 5.029 100.243 ( -4.732 -0.274 0.000) 4.739 100.243 ( -4.732 0.274 0.000) 4.739 ======================= Grid point 30 (17/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( 32.752 -14.865 0.000) 35.968 3.684 ( 32.752 14.865 0.000) 35.968 3.731 ( 30.411 -20.270 0.000) 36.547 3.731 ( 30.411 20.270 0.000) 36.547 4.638 ( -9.465 -3.855 0.000) 10.220 4.638 ( -9.465 3.855 0.000) 10.220 4.723 ( -6.864 -3.168 0.000) 7.560 4.723 ( -6.864 3.168 0.000) 7.560 4.837 ( -3.097 -7.431 0.000) 8.051 4.837 ( -3.097 7.431 0.000) 8.051 4.911 ( -3.416 -8.097 0.000) 8.788 4.911 ( -3.416 8.097 0.000) 8.788 4.986 ( -3.071 -3.066 0.000) 4.339 4.986 ( -3.071 3.066 0.000) 4.339 5.236 ( 9.661 -4.549 0.000) 10.678 5.236 ( 9.661 4.549 0.000) 10.678 5.462 ( 0.033 -6.396 0.000) 6.396 5.462 ( 0.033 6.396 0.000) 6.396 5.511 ( 2.440 -3.559 0.000) 4.315 5.511 ( 2.440 3.559 0.000) 4.315 5.755 ( 3.488 -3.229 0.000) 4.754 5.755 ( 3.488 3.229 0.000) 4.754 5.806 ( -4.899 -3.892 0.000) 6.257 5.806 ( -4.899 3.892 0.000) 6.257 6.107 ( -1.401 -3.637 0.000) 3.898 6.107 ( -1.401 3.637 0.000) 3.898 6.186 ( 6.613 -2.738 0.000) 7.157 6.186 ( 6.613 2.738 0.000) 7.157 6.259 ( -2.186 -1.586 0.000) 2.701 6.259 ( -2.186 1.586 0.000) 2.701 6.383 ( 3.183 -5.722 0.000) 6.548 6.383 ( 3.183 5.722 0.000) 6.548 6.482 ( 10.812 -2.395 0.000) 11.074 6.482 ( 10.812 2.395 0.000) 11.074 6.655 ( -3.677 -4.779 0.000) 6.030 6.655 ( -3.677 4.779 0.000) 6.030 6.872 ( -9.004 -3.841 0.000) 9.790 6.872 ( -9.004 3.841 0.000) 9.790 7.011 ( 5.159 -4.332 0.000) 6.736 7.011 ( 5.159 4.332 0.000) 6.736 7.230 ( -7.631 -2.969 0.000) 8.188 7.230 ( -7.631 2.969 0.000) 8.188 7.325 ( 0.755 -8.869 0.000) 8.901 7.325 ( 0.755 8.869 0.000) 8.901 7.629 ( -9.389 -5.379 0.000) 10.821 7.629 ( -9.389 5.379 0.000) 10.821 7.803 ( -11.464 -5.779 0.000) 12.838 7.803 ( -11.464 5.779 0.000) 12.838 7.944 ( 1.979 -5.141 0.000) 5.509 7.944 ( 1.979 5.141 0.000) 5.509 8.051 ( -5.967 -9.206 0.000) 10.970 8.051 ( -5.967 9.206 0.000) 10.970 8.477 ( 3.427 -10.456 0.000) 11.003 8.477 ( 3.427 10.456 0.000) 11.003 8.748 ( -4.942 -8.305 0.000) 9.664 8.748 ( -4.942 8.305 0.000) 9.664 8.954 ( 4.244 -4.070 0.000) 5.880 8.954 ( 4.244 4.070 0.000) 5.880 9.019 ( -8.523 -2.952 0.000) 9.020 9.019 ( -8.523 2.952 0.000) 9.020 9.255 ( -1.893 -0.416 0.000) 1.938 9.255 ( -1.893 0.416 0.000) 1.938 9.413 ( 3.705 -6.865 0.000) 7.800 9.413 ( 3.705 6.865 0.000) 7.800 9.594 ( 5.531 -2.681 0.000) 6.146 9.594 ( 5.531 2.681 0.000) 6.146 9.651 ( -7.072 -4.178 0.000) 8.214 9.651 ( -7.072 4.178 0.000) 8.214 9.840 ( -2.015 -4.025 0.000) 4.501 9.840 ( -2.015 4.025 0.000) 4.501 9.844 ( -7.319 -1.832 0.000) 7.545 9.844 ( -7.319 1.832 0.000) 7.545 9.994 ( -1.637 -4.233 0.000) 4.538 9.994 ( -1.637 4.233 0.000) 4.538 10.138 ( 7.597 -8.102 0.000) 11.106 10.138 ( 7.597 8.102 0.000) 11.106 10.167 ( 5.634 -8.382 0.000) 10.099 10.167 ( 5.634 8.382 0.000) 10.099 10.318 ( 1.939 -4.261 0.000) 4.681 10.318 ( 1.939 4.261 0.000) 4.681 10.451 ( -0.951 -1.085 0.000) 1.443 10.451 ( -0.951 1.085 0.000) 1.443 10.745 ( -3.109 -1.783 0.000) 3.584 10.745 ( -3.109 1.783 0.000) 3.584 10.872 ( -1.617 -6.393 0.000) 6.595 10.872 ( -1.617 6.393 0.000) 6.595 10.904 ( -3.842 -1.510 0.000) 4.128 10.904 ( -3.842 1.510 0.000) 4.128 11.257 ( -3.050 -1.136 0.000) 3.255 11.257 ( -3.050 1.136 0.000) 3.255 11.391 ( -2.095 -1.300 0.000) 2.466 11.391 ( -2.095 1.300 0.000) 2.466 11.511 ( -0.995 -3.533 0.000) 3.670 11.511 ( -0.995 3.533 0.000) 3.670 11.625 ( 4.494 -1.577 0.000) 4.763 11.625 ( 4.494 1.577 0.000) 4.763 11.728 ( 3.978 -8.441 0.000) 9.331 11.728 ( 3.978 8.441 0.000) 9.331 11.778 ( -3.037 -4.480 0.000) 5.412 11.778 ( -3.037 4.480 0.000) 5.412 11.914 ( -3.914 -1.606 0.000) 4.230 11.914 ( -3.914 1.606 0.000) 4.230 12.086 ( -2.977 -6.719 0.000) 7.349 12.086 ( -2.977 6.719 0.000) 7.349 12.181 ( 2.230 -7.224 0.000) 7.560 12.181 ( 2.230 7.224 0.000) 7.560 12.224 ( 0.957 -4.193 0.000) 4.300 12.224 ( 0.957 4.193 0.000) 4.300 12.387 ( 6.269 -6.349 0.000) 8.922 12.387 ( 6.269 6.349 0.000) 8.922 12.488 ( 5.949 -4.442 0.000) 7.424 12.488 ( 5.949 4.442 0.000) 7.424 12.684 ( -4.576 -2.971 0.000) 5.456 12.684 ( -4.576 2.971 0.000) 5.456 12.735 ( -7.097 -3.306 0.000) 7.829 12.735 ( -7.097 3.306 0.000) 7.829 12.997 ( 3.390 -2.492 0.000) 4.207 12.997 ( 3.390 2.492 0.000) 4.207 13.006 ( 1.076 -5.505 0.000) 5.609 13.006 ( 1.076 5.505 0.000) 5.609 13.053 ( -0.984 -8.689 0.000) 8.744 13.053 ( -0.984 8.689 0.000) 8.744 13.169 ( -3.082 -4.526 0.000) 5.475 13.169 ( -3.082 4.526 0.000) 5.475 13.189 ( -2.774 -3.496 0.000) 4.463 13.189 ( -2.774 3.496 0.000) 4.463 13.610 ( 2.816 -5.217 0.000) 5.929 13.610 ( 2.816 5.217 0.000) 5.929 13.730 ( 3.343 -4.399 0.000) 5.525 13.730 ( 3.343 4.399 0.000) 5.525 13.915 ( -2.119 -5.443 0.000) 5.841 13.915 ( -2.119 5.443 0.000) 5.841 13.922 ( 5.507 -5.053 0.000) 7.474 13.922 ( 5.507 5.053 0.000) 7.474 14.151 ( 9.569 -4.074 0.000) 10.400 14.151 ( 9.569 4.074 0.000) 10.400 14.513 ( -4.249 -2.147 0.000) 4.761 14.513 ( -4.249 2.147 0.000) 4.761 14.518 ( 3.223 -3.845 0.000) 5.017 14.518 ( 3.223 3.845 0.000) 5.017 14.804 ( -7.713 -1.184 0.000) 7.803 14.804 ( -7.713 1.184 0.000) 7.803 14.834 ( -4.652 -0.936 0.000) 4.745 14.834 ( -4.652 0.936 0.000) 4.745 15.119 ( -0.775 -1.558 0.000) 1.740 15.119 ( -0.775 1.558 0.000) 1.740 15.479 ( -4.150 -6.187 0.000) 7.450 15.479 ( -4.150 6.187 0.000) 7.450 15.721 ( 5.984 -0.684 0.000) 6.023 15.721 ( 5.984 0.684 0.000) 6.023 15.887 ( -5.631 -3.702 0.000) 6.739 15.887 ( -5.631 3.702 0.000) 6.739 16.275 ( -0.187 -2.708 0.000) 2.714 16.275 ( -0.187 2.708 0.000) 2.714 16.389 ( 3.086 -0.272 0.000) 3.098 16.389 ( 3.086 0.272 0.000) 3.098 16.584 ( 1.840 -3.725 0.000) 4.155 16.584 ( 1.840 3.725 0.000) 4.155 16.661 ( 0.543 -1.401 0.000) 1.502 16.661 ( 0.543 1.401 0.000) 1.502 17.179 ( -0.474 -2.639 0.000) 2.681 17.179 ( -0.474 2.639 0.000) 2.681 17.312 ( 4.084 -3.667 0.000) 5.488 17.312 ( 4.084 3.667 0.000) 5.488 17.671 ( -3.299 -2.447 0.000) 4.107 17.671 ( -3.299 2.447 0.000) 4.107 18.236 ( 4.696 -3.212 0.000) 5.690 18.236 ( 4.696 3.212 0.000) 5.690 18.572 ( 0.959 -1.492 0.000) 1.773 18.572 ( 0.959 1.492 0.000) 1.773 19.816 ( 0.194 -3.962 0.000) 3.967 19.816 ( 0.194 3.962 0.000) 3.967 20.748 ( -0.807 -1.839 0.000) 2.008 20.748 ( -0.807 1.839 0.000) 2.008 20.793 ( 4.752 -0.351 0.000) 4.765 20.793 ( 4.752 0.351 0.000) 4.765 21.039 ( -6.527 -0.545 0.000) 6.550 21.039 ( -6.527 0.545 0.000) 6.550 21.253 ( -0.922 -2.816 0.000) 2.963 21.253 ( -0.922 2.816 0.000) 2.963 21.691 ( -0.456 -1.125 0.000) 1.214 21.691 ( -0.456 1.125 0.000) 1.214 22.228 ( -0.888 -5.117 0.000) 5.193 22.228 ( -0.888 5.117 0.000) 5.193 22.366 ( -4.802 -6.321 0.000) 7.938 22.366 ( -4.802 6.321 0.000) 7.938 25.140 ( 4.409 -0.521 0.000) 4.439 25.140 ( 4.409 0.521 0.000) 4.439 25.318 ( -4.467 -1.044 0.000) 4.587 25.318 ( -4.467 1.044 0.000) 4.587 29.024 ( 2.049 -0.221 0.000) 2.061 29.024 ( 2.049 0.221 0.000) 2.061 29.100 ( -1.796 -0.287 0.000) 1.819 29.100 ( -1.796 0.287 0.000) 1.819 30.047 ( 8.356 -1.952 0.000) 8.581 30.047 ( 8.356 1.952 0.000) 8.581 30.292 ( -1.118 -3.898 0.000) 4.055 30.292 ( -1.118 3.898 0.000) 4.055 34.351 ( -0.447 -1.617 0.000) 1.678 34.351 ( -0.447 1.617 0.000) 1.678 34.390 ( -2.146 -1.175 0.000) 2.446 34.390 ( -2.146 1.175 0.000) 2.446 97.715 ( 2.573 -0.332 0.000) 2.594 97.715 ( 2.573 0.332 0.000) 2.594 97.818 ( -2.583 -0.207 0.000) 2.591 97.818 ( -2.583 0.207 0.000) 2.591 100.025 ( 1.243 -3.002 0.000) 3.249 100.025 ( 1.243 3.002 0.000) 3.249 100.156 ( -4.084 -0.574 0.000) 4.124 100.156 ( -4.084 0.574 0.000) 4.124 ======================= Grid point 32 (18/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.178 ( 0.000 -0.000 0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.243 ( -0.000 -0.000 0.000) 0.000 4.243 ( 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 4.474 ( -0.000 -0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 -0.000 0.000) 0.000 4.846 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 -0.000 0.000) 0.000 4.922 ( 0.000 -0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 5.420 ( -0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.448 ( -0.000 -0.000 0.000) 0.000 5.448 ( 0.000 -0.000 0.000) 0.000 5.501 ( 0.000 -0.000 0.000) 0.000 5.501 ( 0.000 0.000 0.000) 0.000 5.729 ( 0.000 -0.000 0.000) 0.000 5.729 ( -0.000 0.000 0.000) 0.000 5.760 ( 0.000 -0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 6.229 ( 0.000 0.000 0.000) 0.000 6.357 ( -0.000 -0.000 0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.486 ( -0.000 -0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.654 ( 0.000 0.000 0.000) 0.000 6.654 ( 0.000 0.000 0.000) 0.000 6.721 ( -0.000 0.000 0.000) 0.000 6.721 ( 0.000 0.000 0.000) 0.000 6.974 ( -0.000 -0.000 0.000) 0.000 6.974 ( -0.000 0.000 0.000) 0.000 7.126 ( -0.000 -0.000 0.000) 0.000 7.126 ( 0.000 0.000 0.000) 0.000 7.497 ( -0.000 -0.000 0.000) 0.000 7.497 ( 0.000 0.000 0.000) 0.000 7.500 ( 0.000 -0.000 0.000) 0.000 7.500 ( 0.000 0.000 0.000) 0.000 7.717 ( 0.000 -0.000 0.000) 0.000 7.717 ( 0.000 0.000 0.000) 0.000 7.986 ( 0.000 -0.000 0.000) 0.000 7.986 ( 0.000 0.000 0.000) 0.000 8.056 ( 0.000 0.000 0.000) 0.000 8.056 ( 0.000 0.000 0.000) 0.000 8.475 ( -0.000 0.000 0.000) 0.000 8.475 ( 0.000 0.000 0.000) 0.000 8.645 ( -0.000 0.000 0.000) 0.000 8.645 ( 0.000 0.000 0.000) 0.000 8.881 ( -0.000 0.000 0.000) 0.000 8.881 ( 0.000 0.000 0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 8.997 ( 0.000 0.000 0.000) 0.000 9.233 ( 0.000 0.000 0.000) 0.000 9.233 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 -0.000 0.000) 0.000 9.506 ( 0.000 -0.000 0.000) 0.000 9.534 ( -0.000 -0.000 0.000) 0.000 9.534 ( 0.000 0.000 0.000) 0.000 9.654 ( -0.000 0.000 0.000) 0.000 9.654 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 -0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 9.800 ( -0.000 -0.000 0.000) 0.000 9.800 ( 0.000 -0.000 0.000) 0.000 9.959 ( -0.000 0.000 0.000) 0.000 9.959 ( 0.000 0.000 0.000) 0.000 10.230 ( 0.000 -0.000 0.000) 0.000 10.230 ( 0.000 0.000 0.000) 0.000 10.338 ( 0.000 -0.000 0.000) 0.000 10.338 ( 0.000 0.000 0.000) 0.000 10.341 ( -0.000 -0.000 0.000) 0.000 10.341 ( 0.000 0.000 0.000) 0.000 10.363 ( -0.000 -0.000 0.000) 0.000 10.363 ( 0.000 0.000 0.000) 0.000 10.699 ( -0.000 -0.000 0.000) 0.000 10.699 ( -0.000 0.000 0.000) 0.000 10.859 ( 0.000 0.000 0.000) 0.000 10.859 ( 0.000 0.000 0.000) 0.000 10.862 ( 0.000 -0.000 0.000) 0.000 10.862 ( 0.000 0.000 0.000) 0.000 11.208 ( 0.000 -0.000 0.000) 0.000 11.208 ( 0.000 0.000 0.000) 0.000 11.372 ( 0.000 0.000 0.000) 0.000 11.372 ( 0.000 0.000 0.000) 0.000 11.507 ( 0.000 0.000 0.000) 0.000 11.507 ( 0.000 0.000 0.000) 0.000 11.655 ( -0.000 -0.000 0.000) 0.000 11.655 ( 0.000 0.000 0.000) 0.000 11.752 ( 0.000 0.000 0.000) 0.000 11.752 ( 0.000 0.000 0.000) 0.000 11.753 ( 0.000 -0.000 0.000) 0.000 11.753 ( 0.000 0.000 0.000) 0.000 11.923 ( 0.000 -0.000 0.000) 0.000 11.923 ( 0.000 0.000 0.000) 0.000 12.042 ( -0.000 -0.000 0.000) 0.000 12.042 ( -0.000 0.000 0.000) 0.000 12.202 ( 0.000 0.000 0.000) 0.000 12.202 ( 0.000 0.000 0.000) 0.000 12.228 ( 0.000 -0.000 0.000) 0.000 12.228 ( 0.000 0.000 0.000) 0.000 12.484 ( 0.000 0.000 0.000) 0.000 12.484 ( 0.000 0.000 0.000) 0.000 12.566 ( 0.000 -0.000 0.000) 0.000 12.566 ( 0.000 0.000 0.000) 0.000 12.619 ( 0.000 -0.000 0.000) 0.000 12.619 ( 0.000 0.000 0.000) 0.000 12.636 ( 0.000 -0.000 0.000) 0.000 12.636 ( 0.000 0.000 0.000) 0.000 12.999 ( 0.000 -0.000 0.000) 0.000 12.999 ( 0.000 0.000 0.000) 0.000 13.017 ( 0.000 -0.000 0.000) 0.000 13.017 ( 0.000 0.000 0.000) 0.000 13.079 ( 0.000 -0.000 0.000) 0.000 13.079 ( -0.000 0.000 0.000) 0.000 13.144 ( 0.000 0.000 0.000) 0.000 13.144 ( 0.000 0.000 0.000) 0.000 13.144 ( 0.000 0.000 0.000) 0.000 13.144 ( 0.000 0.000 0.000) 0.000 13.635 ( 0.000 -0.000 0.000) 0.000 13.635 ( 0.000 0.000 0.000) 0.000 13.778 ( 0.000 -0.000 0.000) 0.000 13.778 ( 0.000 0.000 0.000) 0.000 13.880 ( 0.000 0.000 0.000) 0.000 13.880 ( -0.000 0.000 0.000) 0.000 13.994 ( 0.000 0.000 0.000) 0.000 13.994 ( 0.000 0.000 0.000) 0.000 14.304 ( -0.000 -0.000 0.000) 0.000 14.304 ( 0.000 -0.000 0.000) 0.000 14.409 ( -0.000 0.000 0.000) 0.000 14.409 ( 0.000 0.000 0.000) 0.000 14.556 ( 0.000 -0.000 0.000) 0.000 14.556 ( 0.000 0.000 0.000) 0.000 14.719 ( -0.000 0.000 0.000) 0.000 14.719 ( 0.000 0.000 0.000) 0.000 14.800 ( -0.000 0.000 0.000) 0.000 14.800 ( 0.000 0.000 0.000) 0.000 15.092 ( 0.000 0.000 0.000) 0.000 15.092 ( 0.000 0.000 0.000) 0.000 15.444 ( -0.000 0.000 0.000) 0.000 15.444 ( 0.000 0.000 0.000) 0.000 15.780 ( 0.000 0.000 0.000) 0.000 15.780 ( 0.000 0.000 0.000) 0.000 15.825 ( 0.000 -0.000 0.000) 0.000 15.825 ( 0.000 0.000 0.000) 0.000 16.274 ( 0.000 0.000 0.000) 0.000 16.274 ( 0.000 0.000 0.000) 0.000 16.418 ( 0.000 0.000 0.000) 0.000 16.418 ( 0.000 0.000 0.000) 0.000 16.607 ( 0.000 0.000 0.000) 0.000 16.607 ( 0.000 0.000 0.000) 0.000 16.667 ( 0.000 0.000 0.000) 0.000 16.667 ( 0.000 0.000 0.000) 0.000 17.172 ( -0.000 0.000 0.000) 0.000 17.172 ( 0.000 0.000 0.000) 0.000 17.360 ( 0.000 0.000 0.000) 0.000 17.360 ( 0.000 0.000 0.000) 0.000 17.630 ( 0.000 -0.000 0.000) 0.000 17.630 ( 0.000 0.000 0.000) 0.000 18.285 ( 0.000 0.000 0.000) 0.000 18.285 ( 0.000 0.000 0.000) 0.000 18.581 ( 0.000 -0.000 0.000) 0.000 18.581 ( 0.000 0.000 0.000) 0.000 19.819 ( 0.000 0.000 0.000) 0.000 19.819 ( 0.000 0.000 0.000) 0.000 20.739 ( 0.000 0.000 0.000) 0.000 20.739 ( 0.000 0.000 0.000) 0.000 20.872 ( -0.000 0.000 0.000) 0.000 20.872 ( 0.000 0.000 0.000) 0.000 20.942 ( -0.000 0.000 0.000) 0.000 20.942 ( 0.000 0.000 0.000) 0.000 21.241 ( 0.000 0.000 0.000) 0.000 21.241 ( 0.000 0.000 0.000) 0.000 21.689 ( 0.000 0.000 0.000) 0.000 21.689 ( 0.000 0.000 0.000) 0.000 22.222 ( -0.000 -0.000 0.000) 0.000 22.222 ( 0.000 0.000 0.000) 0.000 22.316 ( 0.000 0.000 0.000) 0.000 22.316 ( 0.000 0.000 0.000) 0.000 25.228 ( -0.000 0.000 0.000) 0.000 25.228 ( 0.000 0.000 0.000) 0.000 25.229 ( -0.000 -0.000 0.000) 0.000 25.229 ( 0.000 -0.000 0.000) 0.000 29.061 ( -0.000 0.000 0.000) 0.000 29.061 ( 0.000 0.000 0.000) 0.000 29.066 ( -0.000 0.000 0.000) 0.000 29.066 ( 0.000 0.000 0.000) 0.000 30.148 ( -0.000 0.000 0.000) 0.000 30.148 ( 0.000 0.000 0.000) 0.000 30.262 ( -0.000 0.000 0.000) 0.000 30.262 ( -0.000 0.000 0.000) 0.000 34.354 ( -0.000 -0.000 0.000) 0.000 34.354 ( 0.000 -0.000 0.000) 0.000 34.362 ( -0.000 0.000 0.000) 0.000 34.362 ( 0.000 0.000 0.000) 0.000 97.765 ( -0.000 0.000 0.000) 0.000 97.765 ( 0.000 -0.000 0.000) 0.000 97.768 ( -0.000 0.000 0.000) 0.000 97.768 ( 0.000 0.000 0.000) 0.000 100.051 ( -0.000 -0.000 0.000) 0.000 100.051 ( 0.000 0.000 0.000) 0.000 100.103 ( 0.000 -0.000 0.000) 0.000 100.103 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 55 (19/72) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 0.000 0.000 44.219) 44.219 0.847 ( 0.000 0.000 45.542) 45.542 1.461 ( 0.000 0.000 76.929) 76.929 2.907 ( 0.000 0.000 13.419) 13.419 3.021 ( 0.000 0.000 25.513) 25.513 3.419 ( 0.000 0.000 10.942) 10.942 3.462 ( 0.000 0.000 15.143) 15.143 3.992 ( 0.000 0.000 -34.828) 34.828 4.195 ( 0.000 0.000 -33.424) 33.424 4.562 ( 0.000 0.000 -8.184) 8.184 4.905 ( 0.000 0.000 -7.184) 7.184 5.060 ( 0.000 0.000 -21.596) 21.596 5.110 ( 0.000 0.000 -11.966) 11.966 5.129 ( 0.000 0.000 -20.302) 20.302 5.206 ( 0.000 0.000 12.264) 12.264 5.251 ( 0.000 0.000 1.178) 1.178 5.371 ( 0.000 0.000 7.458) 7.458 5.504 ( 0.000 0.000 8.016) 8.016 5.569 ( 0.000 0.000 2.615) 2.615 5.668 ( 0.000 0.000 3.765) 3.765 5.678 ( 0.000 0.000 17.894) 17.894 5.758 ( 0.000 0.000 11.503) 11.503 5.775 ( 0.000 0.000 -8.665) 8.665 5.816 ( 0.000 0.000 6.404) 6.404 6.114 ( 0.000 0.000 -2.533) 2.533 6.118 ( 0.000 0.000 -5.717) 5.717 6.337 ( 0.000 0.000 -5.881) 5.881 6.394 ( 0.000 0.000 -1.767) 1.767 6.466 ( 0.000 0.000 9.693) 9.693 6.628 ( 0.000 0.000 20.208) 20.208 6.645 ( 0.000 0.000 10.904) 10.904 6.669 ( 0.000 0.000 9.124) 9.124 6.849 ( 0.000 0.000 0.453) 0.453 6.872 ( 0.000 0.000 -2.171) 2.171 7.015 ( 0.000 0.000 23.556) 23.556 7.023 ( 0.000 0.000 0.700) 0.700 7.156 ( 0.000 0.000 -6.167) 6.167 7.216 ( 0.000 0.000 -4.731) 4.731 7.246 ( 0.000 0.000 -4.576) 4.576 7.255 ( 0.000 0.000 16.775) 16.775 7.354 ( 0.000 0.000 0.643) 0.643 7.451 ( 0.000 0.000 4.372) 4.372 7.523 ( 0.000 0.000 -8.812) 8.812 7.535 ( 0.000 0.000 3.159) 3.159 7.677 ( 0.000 0.000 -14.321) 14.321 7.932 ( 0.000 0.000 -11.157) 11.157 7.963 ( 0.000 0.000 -5.602) 5.602 8.010 ( 0.000 0.000 10.832) 10.832 8.167 ( 0.000 0.000 10.209) 10.209 8.208 ( 0.000 0.000 1.686) 1.686 8.211 ( 0.000 0.000 -1.729) 1.729 8.326 ( 0.000 0.000 -5.396) 5.396 8.488 ( 0.000 0.000 -15.106) 15.106 8.652 ( 0.000 0.000 -15.505) 15.505 8.658 ( 0.000 0.000 1.791) 1.791 8.707 ( 0.000 0.000 -13.160) 13.160 8.764 ( 0.000 0.000 -1.551) 1.551 8.848 ( 0.000 0.000 -9.957) 9.957 9.069 ( 0.000 0.000 1.859) 1.859 9.177 ( 0.000 0.000 -14.301) 14.301 9.224 ( 0.000 0.000 -21.304) 21.304 9.373 ( 0.000 0.000 -7.571) 7.571 9.457 ( 0.000 0.000 0.951) 0.951 9.497 ( 0.000 0.000 -13.646) 13.646 9.581 ( 0.000 0.000 3.231) 3.231 9.623 ( 0.000 0.000 3.197) 3.197 9.627 ( 0.000 0.000 -3.605) 3.605 9.699 ( 0.000 0.000 6.529) 6.529 9.724 ( 0.000 0.000 -0.037) 0.037 9.850 ( 0.000 0.000 -3.541) 3.541 9.861 ( 0.000 0.000 -4.676) 4.676 9.963 ( 0.000 0.000 -3.715) 3.715 10.080 ( 0.000 0.000 2.636) 2.636 10.152 ( 0.000 0.000 3.017) 3.017 10.156 ( 0.000 0.000 -22.629) 22.629 10.192 ( 0.000 0.000 -2.342) 2.342 10.298 ( 0.000 0.000 8.301) 8.301 10.360 ( 0.000 0.000 6.215) 6.215 10.373 ( 0.000 0.000 7.287) 7.287 10.407 ( 0.000 0.000 -1.462) 1.462 10.489 ( 0.000 0.000 3.582) 3.582 10.569 ( 0.000 0.000 5.150) 5.150 10.650 ( 0.000 0.000 11.797) 11.797 10.749 ( 0.000 0.000 -4.862) 4.862 10.771 ( 0.000 0.000 -1.721) 1.721 10.781 ( 0.000 0.000 -0.426) 0.426 10.813 ( 0.000 0.000 13.375) 13.375 10.911 ( 0.000 0.000 -7.769) 7.769 10.993 ( 0.000 0.000 1.051) 1.051 11.071 ( 0.000 0.000 -3.155) 3.155 11.084 ( 0.000 0.000 5.797) 5.797 11.160 ( 0.000 0.000 3.209) 3.209 11.342 ( 0.000 0.000 7.580) 7.580 11.466 ( 0.000 0.000 -2.588) 2.588 11.516 ( 0.000 0.000 -8.596) 8.596 11.556 ( 0.000 0.000 -4.190) 4.190 11.666 ( 0.000 0.000 10.507) 10.507 11.668 ( 0.000 0.000 4.070) 4.070 11.759 ( 0.000 0.000 2.725) 2.725 11.819 ( 0.000 0.000 4.314) 4.314 11.845 ( 0.000 0.000 1.966) 1.966 11.927 ( 0.000 0.000 -3.137) 3.137 12.083 ( 0.000 0.000 12.944) 12.944 12.087 ( 0.000 0.000 -5.397) 5.397 12.174 ( 0.000 0.000 4.157) 4.157 12.230 ( 0.000 0.000 -4.806) 4.806 12.338 ( 0.000 0.000 2.528) 2.528 12.393 ( 0.000 0.000 -8.247) 8.247 12.452 ( 0.000 0.000 11.695) 11.695 12.453 ( 0.000 0.000 -2.183) 2.183 12.633 ( 0.000 0.000 -3.123) 3.123 12.692 ( 0.000 0.000 -3.375) 3.375 12.787 ( 0.000 0.000 4.408) 4.408 12.891 ( 0.000 0.000 1.718) 1.718 12.894 ( 0.000 0.000 1.470) 1.470 12.928 ( 0.000 0.000 -0.138) 0.138 12.959 ( 0.000 0.000 2.294) 2.294 13.002 ( 0.000 0.000 -0.005) 0.005 13.030 ( 0.000 0.000 -0.092) 0.092 13.069 ( 0.000 0.000 -2.441) 2.441 13.104 ( 0.000 0.000 8.759) 8.759 13.124 ( 0.000 0.000 -4.835) 4.835 13.212 ( 0.000 0.000 2.616) 2.616 13.289 ( 0.000 0.000 -0.176) 0.176 13.312 ( 0.000 0.000 -3.552) 3.552 13.492 ( 0.000 0.000 1.222) 1.222 13.569 ( 0.000 0.000 8.186) 8.186 13.701 ( 0.000 0.000 -4.975) 4.975 13.713 ( 0.000 0.000 0.557) 0.557 13.729 ( 0.000 0.000 -7.874) 7.874 13.796 ( 0.000 0.000 -6.125) 6.125 13.834 ( 0.000 0.000 -5.351) 5.351 13.900 ( 0.000 0.000 -2.114) 2.114 13.978 ( 0.000 0.000 -3.133) 3.133 14.054 ( 0.000 0.000 2.625) 2.625 14.186 ( 0.000 0.000 10.264) 10.264 14.208 ( 0.000 0.000 10.055) 10.055 14.212 ( 0.000 0.000 0.008) 0.008 14.454 ( 0.000 0.000 9.033) 9.033 14.470 ( 0.000 0.000 7.886) 7.886 14.607 ( 0.000 0.000 -4.777) 4.777 14.656 ( 0.000 0.000 1.840) 1.840 15.016 ( 0.000 0.000 -1.148) 1.148 15.072 ( 0.000 0.000 -1.377) 1.377 15.129 ( 0.000 0.000 -3.895) 3.895 15.448 ( 0.000 0.000 -0.736) 0.736 15.461 ( 0.000 0.000 -3.106) 3.106 15.585 ( 0.000 0.000 -0.643) 0.643 15.790 ( 0.000 0.000 -7.583) 7.583 15.822 ( 0.000 0.000 -5.393) 5.393 15.831 ( 0.000 0.000 -0.272) 0.272 15.956 ( 0.000 0.000 -0.899) 0.899 16.028 ( 0.000 0.000 1.375) 1.375 16.093 ( 0.000 0.000 8.506) 8.506 16.266 ( 0.000 0.000 10.578) 10.578 16.312 ( 0.000 0.000 2.899) 2.899 16.407 ( 0.000 0.000 3.854) 3.854 16.508 ( 0.000 0.000 1.624) 1.624 16.675 ( 0.000 0.000 9.616) 9.616 16.681 ( 0.000 0.000 -17.770) 17.770 17.029 ( 0.000 0.000 2.883) 2.883 17.075 ( 0.000 0.000 -4.553) 4.553 17.130 ( 0.000 0.000 1.650) 1.650 17.421 ( 0.000 0.000 10.736) 10.736 17.669 ( 0.000 0.000 10.550) 10.550 17.788 ( 0.000 0.000 -4.223) 4.223 18.177 ( 0.000 0.000 -11.306) 11.306 18.400 ( 0.000 0.000 1.355) 1.355 18.456 ( 0.000 0.000 0.247) 0.247 19.036 ( 0.000 0.000 -8.014) 8.014 19.535 ( 0.000 0.000 0.530) 0.530 19.703 ( 0.000 0.000 -2.220) 2.220 20.348 ( 0.000 0.000 -0.027) 0.027 20.364 ( 0.000 0.000 -0.266) 0.266 20.576 ( 0.000 0.000 -3.675) 3.675 20.601 ( 0.000 0.000 -1.848) 1.848 21.132 ( 0.000 0.000 1.428) 1.428 21.362 ( 0.000 0.000 -1.968) 1.968 21.370 ( 0.000 0.000 0.638) 0.638 21.493 ( 0.000 0.000 -2.491) 2.491 22.115 ( 0.000 0.000 1.753) 1.753 22.167 ( 0.000 0.000 1.023) 1.023 22.260 ( 0.000 0.000 -0.415) 0.415 22.338 ( 0.000 0.000 -1.783) 1.783 22.480 ( 0.000 0.000 2.757) 2.757 22.955 ( 0.000 0.000 -5.444) 5.444 25.017 ( 0.000 0.000 5.969) 5.969 25.444 ( 0.000 0.000 -2.096) 2.096 25.459 ( 0.000 0.000 0.569) 0.569 25.554 ( 0.000 0.000 -0.606) 0.606 28.932 ( 0.000 0.000 2.095) 2.095 29.109 ( 0.000 0.000 -2.562) 2.562 29.211 ( 0.000 0.000 -0.838) 0.838 29.234 ( 0.000 0.000 -0.646) 0.646 29.480 ( 0.000 0.000 4.612) 4.612 29.501 ( 0.000 0.000 4.478) 4.478 29.796 ( 0.000 0.000 -1.837) 1.837 29.831 ( 0.000 0.000 -1.653) 1.653 34.381 ( 0.000 0.000 0.708) 0.708 34.499 ( 0.000 0.000 -1.186) 1.186 34.522 ( 0.000 0.000 -0.820) 0.820 34.526 ( 0.000 0.000 -1.350) 1.350 97.626 ( 0.000 0.000 3.739) 3.739 97.858 ( 0.000 0.000 0.641) 0.641 97.929 ( 0.000 0.000 -0.433) 0.433 97.930 ( 0.000 0.000 -1.646) 1.646 99.863 ( 0.000 0.000 1.948) 1.948 100.157 ( 0.000 0.000 -3.009) 3.009 100.283 ( 0.000 0.000 -0.050) 0.050 100.465 ( 0.000 0.000 -3.937) 3.937 ======================= Grid point 56 (20/72) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 30.806 0.000 30.908) 43.639 1.248 ( 35.303 0.000 29.622) 46.084 2.115 ( 55.830 0.000 52.145) 76.394 3.074 ( 14.494 0.000 14.912) 20.795 3.229 ( 21.936 0.000 19.069) 29.065 3.503 ( 10.568 0.000 7.218) 12.797 3.581 ( 9.675 0.000 15.442) 18.223 4.088 ( 8.743 0.000 -34.356) 35.451 4.190 ( 0.018 0.000 -32.636) 32.636 4.582 ( 2.202 0.000 -7.112) 7.445 4.919 ( 0.629 0.000 -13.334) 13.349 5.007 ( -4.835 0.000 -17.978) 18.616 5.149 ( 2.532 0.000 -15.812) 16.014 5.173 ( 5.426 0.000 -1.842) 5.730 5.235 ( 3.569 0.000 4.811) 5.990 5.278 ( 2.320 0.000 -0.658) 2.411 5.478 ( 10.303 0.000 7.431) 12.703 5.565 ( 6.024 0.000 5.506) 8.161 5.592 ( 0.140 0.000 0.505) 0.524 5.668 ( -4.384 0.000 3.283) 5.477 5.710 ( -3.602 0.000 16.527) 16.915 5.731 ( 4.875 0.000 19.334) 19.939 5.787 ( 2.883 0.000 13.898) 14.194 5.807 ( 2.633 0.000 -7.312) 7.772 5.984 ( -10.254 0.000 1.801) 10.411 6.089 ( -2.103 0.000 -4.790) 5.231 6.266 ( -2.707 0.000 6.235) 6.797 6.370 ( -3.198 0.000 -7.879) 8.503 6.486 ( -3.495 0.000 7.909) 8.647 6.526 ( -12.756 0.000 10.614) 16.594 6.587 ( -5.897 0.000 9.182) 10.913 6.702 ( 5.095 0.000 15.007) 15.848 6.777 ( -7.786 0.000 3.006) 8.346 6.871 ( -10.741 0.000 4.995) 11.846 6.886 ( -3.275 0.000 0.824) 3.378 6.906 ( -6.929 0.000 15.452) 16.934 7.075 ( -5.766 0.000 0.282) 5.773 7.103 ( -9.426 0.000 7.422) 11.997 7.310 ( 7.611 0.000 -7.485) 10.675 7.321 ( 3.473 0.000 -8.475) 9.159 7.392 ( 1.268 0.000 -1.522) 1.981 7.466 ( -1.059 0.000 -2.277) 2.512 7.478 ( -3.115 0.000 2.879) 4.242 7.562 ( 3.293 0.000 -8.298) 8.927 7.816 ( 9.843 0.000 -8.179) 12.798 7.927 ( -8.687 0.000 3.622) 9.412 7.982 ( 1.804 0.000 -9.780) 9.945 7.983 ( 1.778 0.000 -5.222) 5.517 8.118 ( -20.434 0.000 -8.137) 21.994 8.178 ( 4.478 0.000 1.824) 4.835 8.225 ( -1.738 0.000 0.341) 1.771 8.359 ( -3.850 0.000 -12.391) 12.975 8.378 ( 12.926 0.000 4.554) 13.705 8.671 ( 4.370 0.000 -2.857) 5.221 8.678 ( 1.863 0.000 -15.842) 15.951 8.741 ( -9.477 0.000 -9.842) 13.663 8.790 ( 11.226 0.000 -3.281) 11.696 8.977 ( -15.511 0.000 -10.983) 19.006 8.985 ( 7.735 0.000 -3.383) 8.442 9.081 ( 3.831 0.000 -1.307) 4.048 9.144 ( -7.371 0.000 -16.238) 17.833 9.340 ( -8.219 0.000 -1.688) 8.391 9.371 ( -2.479 0.000 -6.797) 7.235 9.482 ( -7.167 0.000 -12.773) 14.646 9.553 ( -1.479 0.000 4.842) 5.063 9.606 ( -16.908 0.000 0.374) 16.912 9.656 ( -3.436 0.000 -0.613) 3.491 9.666 ( -0.186 0.000 -3.692) 3.696 9.700 ( 2.042 0.000 5.107) 5.500 9.846 ( -0.322 0.000 -4.750) 4.761 9.852 ( 11.340 0.000 -0.876) 11.374 9.938 ( -4.974 0.000 -2.637) 5.630 10.018 ( 5.481 0.000 -7.053) 8.932 10.046 ( 0.067 0.000 -6.411) 6.412 10.154 ( -4.095 0.000 -0.100) 4.097 10.275 ( 0.771 0.000 -2.807) 2.911 10.295 ( 0.936 0.000 -1.120) 1.460 10.309 ( -8.609 0.000 -0.193) 8.611 10.368 ( -2.264 0.000 3.494) 4.163 10.391 ( -5.052 0.000 -0.648) 5.093 10.605 ( -8.891 0.000 2.508) 9.238 10.615 ( -0.544 0.000 8.735) 8.752 10.639 ( 16.333 0.000 14.032) 21.533 10.721 ( 6.814 0.000 8.858) 11.176 10.815 ( 0.239 0.000 -6.000) 6.005 10.873 ( 5.566 0.000 -2.879) 6.266 10.935 ( 5.522 0.000 5.768) 7.985 10.992 ( 11.915 0.000 -5.176) 12.991 11.057 ( 2.771 0.000 0.384) 2.798 11.104 ( 7.204 0.000 3.339) 7.940 11.162 ( 4.679 0.000 3.036) 5.578 11.234 ( 6.382 0.000 2.453) 6.837 11.348 ( -3.897 0.000 5.068) 6.392 11.381 ( 0.233 0.000 -1.680) 1.696 11.547 ( -3.330 0.000 5.355) 6.306 11.583 ( 4.873 0.000 -4.094) 6.364 11.653 ( 3.512 0.000 5.396) 6.438 11.671 ( 0.909 0.000 -1.035) 1.377 11.780 ( -1.178 0.000 3.129) 3.344 11.818 ( 5.764 0.000 4.858) 7.538 11.899 ( 4.970 0.000 0.068) 4.970 11.942 ( -2.093 0.000 -6.309) 6.647 12.049 ( -1.970 0.000 10.612) 10.794 12.058 ( 0.474 0.000 -0.423) 0.635 12.148 ( -3.122 0.000 -0.066) 3.122 12.222 ( -9.372 0.000 4.413) 10.359 12.274 ( -1.661 0.000 3.260) 3.659 12.370 ( -2.092 0.000 -7.548) 7.833 12.383 ( 0.140 0.000 6.563) 6.564 12.449 ( -0.076 0.000 -1.497) 1.499 12.506 ( -10.530 0.000 -3.000) 10.949 12.599 ( -5.496 0.000 0.110) 5.497 12.796 ( 0.092 0.000 3.843) 3.844 12.889 ( -4.605 0.000 -0.695) 4.657 12.901 ( -1.039 0.000 1.990) 2.245 12.916 ( 0.402 0.000 2.948) 2.976 12.944 ( -2.464 0.000 0.493) 2.512 13.011 ( -0.948 0.000 1.599) 1.859 13.053 ( 2.345 0.000 -0.675) 2.440 13.083 ( 3.160 0.000 -2.773) 4.204 13.108 ( -2.745 0.000 -3.918) 4.784 13.181 ( -0.060 0.000 1.714) 1.715 13.244 ( -2.603 0.000 1.880) 3.211 13.269 ( 10.660 0.000 6.824) 12.657 13.278 ( 0.574 0.000 -5.110) 5.142 13.440 ( -8.214 0.000 2.951) 8.728 13.518 ( 1.350 0.000 2.408) 2.761 13.613 ( -7.549 0.000 -2.294) 7.890 13.670 ( -6.576 0.000 -3.021) 7.236 13.736 ( -2.732 0.000 -1.076) 2.936 13.810 ( 1.391 0.000 -2.207) 2.608 13.930 ( -17.186 0.000 -0.871) 17.208 13.952 ( 12.661 0.000 -7.439) 14.684 13.955 ( 1.060 0.000 -1.785) 2.076 14.084 ( 4.819 0.000 0.137) 4.821 14.169 ( 8.413 0.000 2.323) 8.728 14.230 ( -3.263 0.000 9.236) 9.796 14.399 ( -3.147 0.000 4.927) 5.846 14.471 ( 3.330 0.000 1.780) 3.776 14.592 ( -5.290 0.000 -4.510) 6.952 14.611 ( 24.332 0.000 -9.606) 26.159 14.743 ( 7.737 0.000 0.509) 7.754 14.907 ( -4.473 0.000 -0.187) 4.477 15.111 ( 3.611 0.000 0.914) 3.725 15.137 ( 0.603 0.000 -3.133) 3.190 15.360 ( -5.110 0.000 2.177) 5.554 15.409 ( -4.215 0.000 -3.107) 5.237 15.511 ( -5.555 0.000 0.986) 5.642 15.789 ( -0.737 0.000 -4.108) 4.173 15.841 ( 0.381 0.000 -4.988) 5.002 15.953 ( -0.537 0.000 1.846) 1.923 16.037 ( 1.730 0.000 -1.202) 2.107 16.042 ( 6.528 0.000 3.859) 7.584 16.106 ( 7.445 0.000 -1.840) 7.669 16.277 ( 0.401 0.000 10.809) 10.816 16.324 ( -2.319 0.000 1.513) 2.769 16.332 ( 3.098 0.000 4.457) 5.428 16.622 ( 5.439 0.000 0.049) 5.439 16.642 ( -3.779 0.000 -14.969) 15.438 16.707 ( 1.835 0.000 6.562) 6.814 17.032 ( 0.047 0.000 2.486) 2.487 17.116 ( -0.311 0.000 3.338) 3.353 17.148 ( 7.673 0.000 -5.019) 9.169 17.416 ( -0.544 0.000 13.058) 13.070 17.616 ( -3.831 0.000 5.696) 6.864 17.767 ( -2.107 0.000 -3.889) 4.423 18.154 ( -1.939 0.000 -9.816) 10.006 18.252 ( -28.974 0.000 23.019) 37.005 18.417 ( 1.697 0.000 1.114) 2.030 18.472 ( 1.449 0.000 -0.486) 1.529 19.569 ( 2.702 0.000 0.849) 2.833 20.134 ( 0.221 0.000 -16.349) 16.351 20.415 ( 6.566 0.000 0.070) 6.566 20.574 ( 4.047 0.000 -5.940) 7.188 20.614 ( 1.340 0.000 -1.469) 1.989 20.675 ( 22.039 0.000 -14.391) 26.322 21.097 ( -3.379 0.000 1.102) 3.554 21.300 ( -4.211 0.000 -2.918) 5.123 21.395 ( 0.593 0.000 1.965) 2.052 21.467 ( -2.432 0.000 0.547) 2.493 21.993 ( -10.830 0.000 9.514) 14.416 22.068 ( -4.741 0.000 1.255) 4.905 22.255 ( -2.349 0.000 -3.194) 3.965 22.314 ( -2.432 0.000 -1.663) 2.946 22.465 ( -1.592 0.000 1.986) 2.546 22.898 ( -5.572 0.000 -5.206) 7.626 25.026 ( 0.954 0.000 5.603) 5.683 25.213 ( -11.673 0.000 14.500) 18.615 25.434 ( -1.016 0.000 -1.976) 2.222 25.537 ( -1.689 0.000 -0.771) 1.857 28.939 ( 0.739 0.000 1.968) 2.103 29.060 ( -5.492 0.000 7.504) 9.299 29.111 ( 0.127 0.000 -2.313) 2.316 29.201 ( -0.982 0.000 -0.849) 1.299 29.544 ( 6.328 0.000 4.456) 7.739 29.552 ( 5.157 0.000 4.215) 6.660 29.890 ( 5.979 0.000 -2.331) 6.417 30.145 ( 14.451 0.000 -17.449) 22.657 34.373 ( -0.832 0.000 0.688) 1.080 34.501 ( -0.991 0.000 -1.522) 1.816 34.505 ( -2.086 0.000 -1.156) 2.385 34.509 ( -0.851 0.000 -1.423) 1.658 97.632 ( 0.646 0.000 3.486) 3.545 97.738 ( -5.476 0.000 7.211) 9.054 97.919 ( -0.991 0.000 -0.553) 1.135 97.921 ( -0.890 0.000 -1.541) 1.779 99.869 ( 0.588 0.000 1.910) 1.999 100.201 ( 0.459 0.000 -5.544) 5.563 100.291 ( 0.481 0.000 -1.541) 1.615 100.415 ( -4.813 0.000 -3.206) 5.783 ======================= Grid point 57 (21/72) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 38.851 0.000 18.912) 43.209 2.013 ( 41.514 0.000 20.361) 46.239 3.285 ( 59.271 0.000 25.730) 64.615 3.428 ( 21.742 0.000 13.592) 25.641 3.763 ( 29.736 0.000 9.122) 31.104 3.793 ( 17.523 0.000 1.664) 17.601 3.825 ( 17.768 0.000 17.006) 24.595 4.231 ( 5.158 0.000 -26.134) 26.638 4.314 ( 14.456 0.000 -28.452) 31.914 4.645 ( 3.994 0.000 -3.974) 5.634 4.905 ( -5.042 0.000 -14.207) 15.075 4.933 ( 1.315 0.000 -13.891) 13.953 5.203 ( 1.223 0.000 -5.057) 5.203 5.249 ( 3.135 0.000 -4.164) 5.212 5.319 ( 3.829 0.000 3.326) 5.072 5.321 ( 1.526 0.000 -0.790) 1.719 5.379 ( -13.289 0.000 16.318) 21.044 5.669 ( -4.504 0.000 11.990) 12.809 5.696 ( 9.492 0.000 7.481) 12.086 5.710 ( -1.946 0.000 2.215) 2.948 5.755 ( 5.276 0.000 8.678) 10.156 5.787 ( -1.821 0.000 7.487) 7.706 5.817 ( 8.217 0.000 5.864) 10.095 5.862 ( 2.978 0.000 14.180) 14.489 5.888 ( 3.652 0.000 -8.757) 9.488 6.126 ( 7.370 0.000 3.373) 8.105 6.215 ( -2.810 0.000 6.097) 6.713 6.280 ( -5.889 0.000 -3.494) 6.848 6.285 ( -5.729 0.000 7.286) 9.269 6.364 ( -8.104 0.000 8.531) 11.767 6.445 ( -7.944 0.000 7.921) 11.218 6.580 ( -6.817 0.000 11.066) 12.998 6.641 ( -14.888 0.000 14.070) 20.485 6.711 ( -2.970 0.000 6.198) 6.873 6.800 ( 0.332 0.000 3.410) 3.427 6.820 ( -6.698 0.000 -1.206) 6.805 6.904 ( -10.885 0.000 5.401) 12.152 7.014 ( -2.477 0.000 6.136) 6.617 7.279 ( -11.776 0.000 -0.974) 11.816 7.299 ( -6.124 0.000 -8.790) 10.712 7.367 ( -3.425 0.000 -3.534) 4.921 7.460 ( 3.629 0.000 -4.203) 5.553 7.564 ( 6.671 0.000 -1.424) 6.821 7.582 ( -9.682 0.000 -4.024) 10.485 7.672 ( -14.805 0.000 -5.412) 15.763 7.734 ( -10.256 0.000 -4.623) 11.250 7.919 ( -0.897 0.000 -3.536) 3.647 7.932 ( -6.500 0.000 -10.972) 12.753 8.086 ( -8.587 0.000 -6.516) 10.780 8.086 ( 10.992 0.000 -19.830) 22.673 8.299 ( 3.473 0.000 -4.330) 5.550 8.428 ( 0.051 0.000 -4.785) 4.785 8.531 ( -8.965 0.000 -9.361) 12.962 8.531 ( -4.800 0.000 -5.150) 7.040 8.654 ( 10.095 0.000 0.590) 10.112 8.798 ( 0.561 0.000 -3.142) 3.191 8.830 ( 0.451 0.000 -8.507) 8.519 8.955 ( -6.592 0.000 -9.725) 11.748 8.957 ( -8.710 0.000 -1.074) 8.776 9.054 ( 6.031 0.000 -3.516) 6.981 9.130 ( -6.091 0.000 -7.911) 9.984 9.206 ( -4.512 0.000 -5.375) 7.018 9.233 ( 2.525 0.000 -3.409) 4.242 9.313 ( -1.373 0.000 -3.291) 3.566 9.443 ( -1.448 0.000 -4.287) 4.525 9.511 ( -4.739 0.000 0.570) 4.773 9.620 ( -0.046 0.000 0.378) 0.381 9.634 ( -2.590 0.000 1.347) 2.919 9.710 ( -0.929 0.000 3.573) 3.692 9.876 ( -2.464 0.000 -2.488) 3.501 9.905 ( 4.943 0.000 -5.383) 7.308 9.979 ( 1.946 0.000 -3.297) 3.828 10.056 ( -3.514 0.000 0.191) 3.520 10.073 ( -2.278 0.000 2.812) 3.619 10.156 ( 5.165 0.000 -4.626) 6.934 10.180 ( -1.566 0.000 -8.091) 8.241 10.231 ( -2.805 0.000 -0.028) 2.806 10.281 ( -1.274 0.000 -1.151) 1.717 10.318 ( -2.765 0.000 -3.257) 4.272 10.336 ( -3.050 0.000 -4.406) 5.359 10.458 ( -6.105 0.000 -3.037) 6.818 10.566 ( -6.690 0.000 3.715) 7.652 10.727 ( -1.268 0.000 4.194) 4.382 10.839 ( 3.686 0.000 0.173) 3.690 10.848 ( 2.575 0.000 4.227) 4.950 10.924 ( 1.044 0.000 12.536) 12.579 10.998 ( -2.134 0.000 6.505) 6.846 11.152 ( 4.099 0.000 -1.949) 4.539 11.219 ( 5.732 0.000 -5.787) 8.145 11.224 ( 8.308 0.000 11.126) 13.886 11.282 ( 11.510 0.000 0.471) 11.520 11.330 ( 2.474 0.000 8.265) 8.628 11.374 ( 7.332 0.000 -1.376) 7.460 11.459 ( -0.688 0.000 7.841) 7.871 11.516 ( 9.070 0.000 3.902) 9.874 11.604 ( -7.572 0.000 -6.889) 10.236 11.696 ( 0.821 0.000 0.316) 0.879 11.707 ( 2.661 0.000 0.397) 2.691 11.768 ( -1.247 0.000 -1.075) 1.647 11.858 ( -4.447 0.000 1.338) 4.644 11.946 ( 4.290 0.000 0.806) 4.365 11.954 ( 0.139 0.000 0.227) 0.266 12.050 ( -6.739 0.000 2.562) 7.210 12.080 ( 1.312 0.000 3.075) 3.343 12.107 ( 7.870 0.000 1.679) 8.047 12.169 ( 5.820 0.000 7.408) 9.421 12.233 ( -3.026 0.000 -1.878) 3.562 12.296 ( -5.753 0.000 -0.181) 5.756 12.378 ( 1.096 0.000 -2.680) 2.896 12.399 ( -3.400 0.000 0.129) 3.403 12.477 ( 3.752 0.000 -1.982) 4.244 12.493 ( 0.973 0.000 -2.104) 2.319 12.749 ( -5.448 0.000 1.481) 5.646 12.756 ( -7.297 0.000 2.072) 7.586 12.829 ( -2.667 0.000 2.246) 3.487 12.856 ( -7.075 0.000 2.314) 7.444 12.963 ( -7.159 0.000 -2.247) 7.503 12.965 ( 1.493 0.000 -1.739) 2.292 13.022 ( 2.044 0.000 3.328) 3.905 13.036 ( -4.691 0.000 0.718) 4.746 13.139 ( 1.562 0.000 -4.553) 4.813 13.196 ( -4.855 0.000 2.186) 5.324 13.269 ( -2.393 0.000 0.926) 2.566 13.290 ( 1.346 0.000 1.720) 2.184 13.387 ( -4.059 0.000 3.216) 5.178 13.403 ( -3.411 0.000 -6.931) 7.725 13.438 ( 0.796 0.000 -2.922) 3.029 13.516 ( -5.048 0.000 -0.861) 5.121 13.543 ( -5.490 0.000 -1.237) 5.628 13.574 ( 2.862 0.000 2.254) 3.643 13.740 ( 2.264 0.000 1.273) 2.597 13.936 ( 6.118 0.000 2.262) 6.523 13.978 ( 1.786 0.000 1.994) 2.677 14.076 ( -7.124 0.000 8.274) 10.918 14.098 ( 0.369 0.000 0.578) 0.686 14.179 ( 5.792 0.000 -0.597) 5.823 14.322 ( -3.561 0.000 4.160) 5.476 14.401 ( 9.312 0.000 0.559) 9.329 14.417 ( -8.369 0.000 -0.957) 8.424 14.522 ( 3.697 0.000 -2.776) 4.624 14.868 ( 4.898 0.000 -2.187) 5.364 14.919 ( 2.754 0.000 0.759) 2.857 14.974 ( 8.926 0.000 -4.288) 9.902 15.139 ( -1.307 0.000 -2.549) 2.865 15.170 ( 2.350 0.000 -2.923) 3.750 15.267 ( -5.844 0.000 1.278) 5.982 15.329 ( -3.010 0.000 -0.954) 3.157 15.467 ( 2.922 0.000 8.848) 9.319 15.684 ( -6.653 0.000 5.280) 8.493 15.797 ( -4.906 0.000 -3.128) 5.819 15.952 ( 0.559 0.000 -0.697) 0.894 16.084 ( 2.535 0.000 -1.933) 3.188 16.169 ( 7.427 0.000 -1.585) 7.594 16.243 ( 4.556 0.000 -4.987) 6.755 16.254 ( -0.455 0.000 -2.500) 2.541 16.370 ( 4.737 0.000 9.964) 11.033 16.398 ( 0.110 0.000 2.276) 2.278 16.520 ( -6.321 0.000 -10.416) 12.184 16.671 ( 0.070 0.000 1.832) 1.833 16.746 ( 2.078 0.000 7.729) 8.004 17.034 ( 0.756 0.000 0.524) 0.920 17.147 ( 3.025 0.000 4.383) 5.326 17.322 ( 6.685 0.000 -3.255) 7.435 17.408 ( 0.513 0.000 11.610) 11.621 17.595 ( 2.671 0.000 -2.927) 3.963 17.726 ( -0.652 0.000 -3.502) 3.562 17.930 ( -9.537 0.000 9.829) 13.696 18.132 ( 0.048 0.000 -8.625) 8.625 18.459 ( 2.526 0.000 0.503) 2.576 18.510 ( 2.314 0.000 -2.121) 3.139 19.615 ( 1.899 0.000 0.957) 2.127 20.044 ( -6.313 0.000 -8.513) 10.598 20.565 ( 7.624 0.000 -0.484) 7.639 20.621 ( 2.694 0.000 -3.518) 4.431 20.656 ( 3.257 0.000 0.125) 3.260 20.950 ( 4.410 0.000 -8.121) 9.242 21.027 ( -1.622 0.000 -1.764) 2.396 21.209 ( -5.056 0.000 -4.401) 6.703 21.396 ( -0.180 0.000 4.614) 4.618 21.402 ( -4.528 0.000 6.135) 7.625 21.840 ( -4.828 0.000 3.778) 6.130 21.942 ( -7.819 0.000 -0.159) 7.820 22.191 ( -3.693 0.000 -2.311) 4.356 22.250 ( -3.906 0.000 -1.397) 4.148 22.422 ( -2.667 0.000 0.894) 2.813 22.759 ( -8.223 0.000 -4.533) 9.389 25.054 ( 1.903 0.000 4.783) 5.148 25.103 ( -1.434 0.000 9.399) 9.508 25.405 ( -2.016 0.000 -1.595) 2.570 25.490 ( -3.077 0.000 -1.010) 3.239 28.960 ( 1.380 0.000 1.652) 2.152 29.013 ( -0.635 0.000 4.194) 4.242 29.111 ( -0.171 0.000 -1.812) 1.820 29.174 ( -1.741 0.000 -0.970) 1.993 29.686 ( 8.510 0.000 3.645) 9.258 29.713 ( 10.429 0.000 3.980) 11.162 30.024 ( 7.053 0.000 -2.583) 7.511 30.309 ( 4.682 0.000 -10.696) 11.676 34.351 ( -1.273 0.000 0.630) 1.420 34.455 ( -2.796 0.000 -0.782) 2.903 34.464 ( -2.494 0.000 -0.761) 2.607 34.485 ( -1.789 0.000 -1.786) 2.527 97.651 ( 1.283 0.000 2.867) 3.140 97.690 ( -0.381 0.000 4.492) 4.508 97.893 ( -1.707 0.000 -0.686) 1.840 97.897 ( -1.604 0.000 -1.292) 2.060 99.886 ( 1.246 0.000 1.742) 2.142 100.179 ( -1.979 0.000 -3.108) 3.684 100.276 ( -2.122 0.000 -2.121) 3.000 100.303 ( -6.148 0.000 -1.793) 6.404 ======================= Grid point 58 (22/72) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 40.239 0.000 12.521) 42.142 2.807 ( 40.207 0.000 16.984) 43.647 3.887 ( 24.917 0.000 9.715) 26.744 4.044 ( 21.671 0.000 3.858) 22.012 4.093 ( 15.933 0.000 5.120) 16.735 4.260 ( 19.256 0.000 -2.306) 19.394 4.413 ( 14.239 0.000 -8.867) 16.774 4.444 ( 26.278 0.000 -1.780) 26.338 4.700 ( 33.875 0.000 -2.321) 33.955 4.720 ( 3.250 0.000 0.040) 3.250 4.830 ( -2.603 0.000 -5.790) 6.348 4.984 ( 4.569 0.000 -6.635) 8.056 5.150 ( -5.201 0.000 2.043) 5.588 5.171 ( -7.928 0.000 14.558) 16.577 5.311 ( -1.973 0.000 0.154) 1.979 5.313 ( -3.703 0.000 2.018) 4.218 5.367 ( 2.571 0.000 -1.610) 3.033 5.496 ( -12.157 0.000 4.775) 13.061 5.559 ( -4.804 0.000 7.585) 8.978 5.666 ( -4.570 0.000 5.252) 6.963 5.772 ( -2.847 0.000 4.216) 5.087 5.861 ( 0.070 0.000 1.926) 1.927 5.897 ( -0.124 0.000 9.146) 9.147 5.922 ( -3.215 0.000 0.375) 3.237 5.984 ( 6.298 0.000 -6.105) 8.771 6.143 ( -7.410 0.000 2.099) 7.702 6.161 ( -2.388 0.000 7.914) 8.266 6.200 ( 0.666 0.000 5.646) 5.685 6.274 ( 0.562 0.000 -0.168) 0.586 6.325 ( 0.911 0.000 9.910) 9.952 6.390 ( -5.589 0.000 7.425) 9.294 6.512 ( 11.128 0.000 -0.659) 11.147 6.544 ( 0.385 0.000 8.415) 8.423 6.650 ( -2.393 0.000 7.638) 8.004 6.712 ( -8.725 0.000 3.020) 9.233 6.814 ( 0.592 0.000 2.402) 2.474 6.820 ( 8.673 0.000 5.023) 10.022 6.863 ( -11.168 0.000 2.171) 11.377 7.012 ( -13.871 0.000 -1.081) 13.914 7.063 ( -16.353 0.000 -5.106) 17.132 7.277 ( -4.505 0.000 2.333) 5.074 7.315 ( -8.124 0.000 1.944) 8.353 7.496 ( -6.592 0.000 -3.606) 7.513 7.502 ( -0.460 0.000 -1.174) 1.261 7.622 ( -3.529 0.000 -2.311) 4.218 7.648 ( 1.749 0.000 -4.389) 4.725 7.784 ( -10.517 0.000 -14.649) 18.034 7.867 ( -0.618 0.000 -2.345) 2.425 7.914 ( -8.436 0.000 -9.310) 12.563 8.116 ( -14.958 0.000 -8.674) 17.291 8.289 ( -6.585 0.000 8.030) 10.385 8.340 ( 5.989 0.000 -18.440) 19.388 8.375 ( -20.493 0.000 0.685) 20.505 8.480 ( 0.853 0.000 -10.157) 10.193 8.710 ( 3.080 0.000 -5.991) 6.736 8.719 ( 8.807 0.000 -4.289) 9.796 8.873 ( 6.353 0.000 -3.710) 7.357 8.886 ( -5.776 0.000 -11.111) 12.523 8.995 ( 2.379 0.000 -0.724) 2.486 9.122 ( -1.706 0.000 -0.180) 1.715 9.178 ( 5.382 0.000 -2.908) 6.118 9.180 ( 8.466 0.000 -7.238) 11.138 9.282 ( 1.008 0.000 -6.921) 6.994 9.298 ( -2.962 0.000 -8.995) 9.470 9.375 ( -6.731 0.000 -0.832) 6.782 9.528 ( 0.457 0.000 -2.251) 2.297 9.577 ( 3.048 0.000 3.357) 4.535 9.626 ( -1.444 0.000 0.079) 1.447 9.695 ( 0.092 0.000 3.940) 3.941 9.828 ( -2.461 0.000 -1.864) 3.088 9.908 ( -6.387 0.000 1.001) 6.465 9.985 ( -3.749 0.000 -0.475) 3.779 10.013 ( -1.671 0.000 -0.940) 1.917 10.067 ( 2.365 0.000 -7.081) 7.465 10.078 ( -8.930 0.000 -0.589) 8.949 10.146 ( -0.777 0.000 -4.012) 4.086 10.205 ( 0.250 0.000 -8.569) 8.573 10.280 ( 0.232 0.000 2.961) 2.970 10.291 ( -1.989 0.000 -0.491) 2.048 10.324 ( 0.528 0.000 -8.640) 8.656 10.367 ( -9.565 0.000 7.803) 12.344 10.398 ( 1.890 0.000 -8.624) 8.828 10.729 ( 0.829 0.000 7.072) 7.120 10.851 ( -0.523 0.000 -1.681) 1.760 10.880 ( -1.147 0.000 3.607) 3.786 10.925 ( -5.184 0.000 3.062) 6.021 10.963 ( 4.579 0.000 9.642) 10.674 11.215 ( 2.883 0.000 -3.491) 4.528 11.260 ( -5.184 0.000 8.716) 10.141 11.287 ( 1.311 0.000 -3.329) 3.578 11.397 ( -7.256 0.000 -3.076) 7.881 11.403 ( 3.599 0.000 7.675) 8.477 11.455 ( -0.027 0.000 -3.764) 3.764 11.505 ( 5.645 0.000 -6.668) 8.737 11.546 ( 8.877 0.000 2.508) 9.225 11.640 ( -0.660 0.000 5.868) 5.905 11.671 ( -2.585 0.000 5.698) 6.257 11.694 ( 5.420 0.000 6.102) 8.161 11.810 ( -1.734 0.000 -5.371) 5.644 11.857 ( -2.794 0.000 5.236) 5.935 11.857 ( 1.923 0.000 -6.866) 7.130 11.959 ( -1.677 0.000 0.408) 1.726 11.998 ( 1.168 0.000 -1.856) 2.193 12.037 ( -2.623 0.000 2.005) 3.301 12.162 ( -1.560 0.000 -6.848) 7.023 12.190 ( -6.489 0.000 1.918) 6.767 12.223 ( -4.808 0.000 2.326) 5.341 12.294 ( 3.635 0.000 1.057) 3.786 12.427 ( 7.658 0.000 0.818) 7.702 12.455 ( 5.036 0.000 0.138) 5.038 12.578 ( 1.067 0.000 -2.477) 2.696 12.591 ( 4.969 0.000 -3.213) 5.917 12.626 ( -4.873 0.000 -0.029) 4.873 12.628 ( -1.892 0.000 4.848) 5.204 12.728 ( -4.661 0.000 1.211) 4.816 12.806 ( 0.979 0.000 1.328) 1.650 12.858 ( -0.132 0.000 2.921) 2.924 12.951 ( -5.918 0.000 3.273) 6.763 12.986 ( -3.342 0.000 3.117) 4.569 12.987 ( -5.459 0.000 -2.289) 5.920 13.061 ( 0.857 0.000 -0.159) 0.872 13.102 ( -5.217 0.000 -1.021) 5.316 13.126 ( -4.941 0.000 1.968) 5.319 13.277 ( 1.750 0.000 -3.524) 3.935 13.337 ( -2.796 0.000 1.173) 3.032 13.382 ( 1.558 0.000 -1.094) 1.904 13.467 ( 0.166 0.000 -4.070) 4.073 13.498 ( 3.508 0.000 -2.457) 4.283 13.598 ( 2.809 0.000 1.503) 3.186 13.762 ( 13.043 0.000 6.831) 14.724 13.787 ( 1.248 0.000 1.495) 1.948 13.969 ( -4.216 0.000 7.301) 8.431 14.005 ( 0.667 0.000 1.801) 1.921 14.030 ( 2.205 0.000 3.674) 4.285 14.075 ( -1.372 0.000 1.914) 2.356 14.260 ( 1.244 0.000 3.353) 3.577 14.304 ( 4.820 0.000 0.681) 4.868 14.322 ( 2.580 0.000 -0.014) 2.580 14.547 ( 4.174 0.000 1.051) 4.304 14.581 ( 0.372 0.000 -0.982) 1.050 14.863 ( -4.033 0.000 -2.057) 4.527 14.945 ( -0.995 0.000 2.453) 2.647 15.028 ( -10.483 0.000 -2.128) 10.697 15.041 ( 0.854 0.000 2.335) 2.487 15.169 ( -1.887 0.000 0.915) 2.097 15.187 ( -1.747 0.000 -1.531) 2.323 15.285 ( -2.989 0.000 1.721) 3.449 15.582 ( 2.760 0.000 1.205) 3.012 15.638 ( 2.341 0.000 4.998) 5.519 15.694 ( -1.394 0.000 3.742) 3.993 15.955 ( -0.869 0.000 -3.139) 3.257 16.123 ( 1.699 0.000 -1.310) 2.146 16.213 ( -8.224 0.000 -3.954) 9.125 16.267 ( -0.852 0.000 -3.978) 4.068 16.289 ( 3.957 0.000 -4.210) 5.778 16.361 ( 4.814 0.000 -4.582) 6.646 16.476 ( 6.029 0.000 10.075) 11.741 16.508 ( 1.792 0.000 0.888) 2.000 16.649 ( -1.698 0.000 1.810) 2.482 16.775 ( 0.557 0.000 7.710) 7.730 17.070 ( 2.852 0.000 -0.812) 2.965 17.210 ( 3.188 0.000 4.676) 5.660 17.345 ( -1.592 0.000 5.752) 5.968 17.431 ( 0.166 0.000 -0.820) 0.837 17.611 ( -1.613 0.000 -3.488) 3.843 17.784 ( -6.309 0.000 2.552) 6.806 17.856 ( 11.967 0.000 -6.897) 13.813 18.158 ( 2.232 0.000 -8.557) 8.843 18.509 ( 2.477 0.000 -0.299) 2.495 18.555 ( 2.085 0.000 -2.938) 3.603 19.651 ( 2.076 0.000 0.590) 2.158 19.930 ( -5.280 0.000 -5.383) 7.540 20.678 ( 4.558 0.000 -1.393) 4.766 20.685 ( 3.923 0.000 -2.818) 4.830 20.733 ( 3.815 0.000 2.008) 4.311 20.904 ( -4.062 0.000 0.530) 4.096 21.056 ( 0.811 0.000 -4.232) 4.309 21.109 ( -5.233 0.000 -4.647) 6.998 21.295 ( -5.951 0.000 8.084) 10.038 21.392 ( -0.592 0.000 6.481) 6.508 21.790 ( -1.102 0.000 -1.136) 1.583 21.792 ( -6.780 0.000 -2.083) 7.093 22.123 ( -3.149 0.000 -1.325) 3.417 22.172 ( -4.021 0.000 -1.045) 4.154 22.374 ( -1.929 0.000 0.049) 1.929 22.602 ( -7.730 0.000 -3.561) 8.511 25.099 ( 2.683 0.000 4.038) 4.848 25.116 ( 2.226 0.000 4.825) 5.314 25.357 ( -2.893 0.000 -0.922) 3.037 25.421 ( -4.006 0.000 -0.893) 4.104 28.991 ( 1.763 0.000 1.208) 2.138 29.015 ( 0.687 0.000 2.027) 2.140 29.103 ( -0.621 0.000 -1.289) 1.431 29.137 ( -2.012 0.000 -1.043) 2.266 29.861 ( 9.206 0.000 2.831) 9.632 29.926 ( 11.125 0.000 3.064) 11.539 30.137 ( 4.251 0.000 -2.126) 4.753 30.362 ( 1.043 0.000 -5.912) 6.003 34.328 ( -1.057 0.000 0.522) 1.179 34.406 ( -2.063 0.000 -0.560) 2.137 34.411 ( -2.791 0.000 -0.540) 2.842 34.445 ( -2.202 0.000 -1.454) 2.639 97.681 ( 1.825 0.000 2.096) 2.779 97.702 ( 1.341 0.000 2.433) 2.779 97.855 ( -2.131 0.000 -0.598) 2.213 97.861 ( -2.043 0.000 -0.877) 2.224 99.918 ( 2.068 0.000 1.372) 2.482 100.138 ( -2.126 0.000 -1.876) 2.836 100.196 ( -4.614 0.000 -0.819) 4.686 100.216 ( -3.823 0.000 -1.680) 4.176 ======================= Grid point 59 (23/72) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.399 ( 37.932 0.000 8.322) 38.834 3.550 ( 36.432 0.000 14.806) 39.325 4.330 ( 8.659 0.000 -0.854) 8.701 4.343 ( 20.009 0.000 6.463) 21.027 4.434 ( 14.211 0.000 4.089) 14.788 4.515 ( 8.301 0.000 0.041) 8.301 4.576 ( -3.687 0.000 1.202) 3.878 4.673 ( 1.092 0.000 3.506) 3.672 4.715 ( -2.662 0.000 6.153) 6.704 4.830 ( 6.979 0.000 -0.549) 7.000 5.013 ( -5.766 0.000 6.972) 9.047 5.014 ( -6.170 0.000 0.230) 6.175 5.042 ( -3.310 0.000 3.698) 4.963 5.160 ( -3.441 0.000 3.783) 5.114 5.291 ( 4.166 0.000 6.050) 7.346 5.325 ( 9.093 0.000 -1.621) 9.236 5.325 ( -4.633 0.000 1.293) 4.810 5.448 ( 7.241 0.000 2.015) 7.516 5.516 ( -0.584 0.000 -1.232) 1.363 5.586 ( -5.903 0.000 -0.417) 5.918 5.701 ( -3.091 0.000 1.021) 3.255 5.756 ( -9.058 0.000 0.177) 9.059 5.785 ( -8.714 0.000 -3.920) 9.555 5.928 ( 8.627 0.000 1.983) 8.853 6.011 ( -5.281 0.000 -4.115) 6.695 6.099 ( 2.639 0.000 2.451) 3.601 6.150 ( 2.175 0.000 1.701) 2.762 6.178 ( -0.655 0.000 7.559) 7.587 6.339 ( 4.529 0.000 -1.459) 4.758 6.369 ( 5.337 0.000 8.549) 10.079 6.396 ( 1.655 0.000 1.055) 1.963 6.474 ( -13.306 0.000 -3.721) 13.816 6.555 ( -1.184 0.000 -2.408) 2.683 6.557 ( -10.629 0.000 -5.502) 11.969 6.639 ( -1.646 0.000 11.869) 11.983 6.702 ( -9.617 0.000 -0.072) 9.617 6.807 ( 0.913 0.000 3.984) 4.087 6.835 ( 10.010 0.000 2.659) 10.358 6.885 ( 2.536 0.000 8.492) 8.863 7.039 ( 4.654 0.000 5.931) 7.539 7.228 ( -1.734 0.000 5.280) 5.557 7.247 ( -0.650 0.000 -3.173) 3.239 7.346 ( -9.120 0.000 -0.624) 9.141 7.398 ( -8.788 0.000 -4.227) 9.752 7.487 ( -14.887 0.000 -0.532) 14.897 7.633 ( -3.650 0.000 -0.559) 3.692 7.688 ( -4.104 0.000 -6.606) 7.777 7.795 ( -13.131 0.000 -6.705) 14.744 7.868 ( 16.512 0.000 -0.229) 16.514 8.028 ( 13.897 0.000 -3.777) 14.401 8.110 ( -4.582 0.000 2.239) 5.100 8.259 ( 2.950 0.000 0.905) 3.086 8.293 ( -2.545 0.000 -1.582) 2.997 8.622 ( -3.209 0.000 -14.525) 14.875 8.732 ( 0.199 0.000 -8.664) 8.666 8.740 ( -2.464 0.000 -6.963) 7.386 8.898 ( -6.442 0.000 1.249) 6.562 8.932 ( -2.282 0.000 -10.263) 10.514 8.997 ( 5.463 0.000 -3.761) 6.633 9.071 ( 0.820 0.000 -1.652) 1.845 9.169 ( 0.220 0.000 1.919) 1.932 9.240 ( -3.371 0.000 -8.677) 9.309 9.285 ( -2.360 0.000 -10.096) 10.368 9.307 ( -0.110 0.000 7.225) 7.226 9.375 ( -5.914 0.000 -0.224) 5.918 9.417 ( 6.053 0.000 -12.716) 14.083 9.595 ( 0.238 0.000 0.391) 0.458 9.684 ( 0.743 0.000 1.254) 1.457 9.754 ( 7.006 0.000 -1.115) 7.094 9.782 ( -3.049 0.000 0.920) 3.185 9.826 ( 0.843 0.000 0.131) 0.853 9.892 ( -3.429 0.000 5.500) 6.481 9.895 ( -6.442 0.000 -1.315) 6.575 9.937 ( -4.256 0.000 1.903) 4.662 9.999 ( -10.309 0.000 -4.533) 11.261 10.103 ( -4.673 0.000 -2.301) 5.208 10.190 ( -0.887 0.000 -7.190) 7.245 10.258 ( -1.987 0.000 4.602) 5.013 10.304 ( 3.940 0.000 -0.820) 4.024 10.363 ( 4.638 0.000 -7.211) 8.574 10.369 ( 1.885 0.000 -6.503) 6.771 10.458 ( 1.937 0.000 -4.352) 4.764 10.718 ( -1.826 0.000 7.118) 7.348 10.786 ( -6.107 0.000 -0.394) 6.119 10.884 ( 3.043 0.000 2.901) 4.204 10.887 ( 3.834 0.000 -3.559) 5.232 11.044 ( 2.035 0.000 3.393) 3.957 11.125 ( -6.676 0.000 8.962) 11.175 11.242 ( -3.463 0.000 -5.096) 6.161 11.248 ( -2.536 0.000 -3.818) 4.584 11.311 ( -1.224 0.000 -5.717) 5.847 11.375 ( -1.694 0.000 -2.991) 3.437 11.423 ( -1.378 0.000 2.714) 3.043 11.522 ( -4.318 0.000 -3.970) 5.866 11.631 ( -1.445 0.000 7.544) 7.681 11.673 ( 2.681 0.000 -0.375) 2.707 11.715 ( 0.694 0.000 2.504) 2.598 11.770 ( 1.693 0.000 -0.012) 1.693 11.818 ( 11.219 0.000 6.645) 13.040 11.866 ( 0.747 0.000 -8.714) 8.746 11.890 ( -2.394 0.000 1.840) 3.020 11.936 ( 1.660 0.000 3.945) 4.280 11.950 ( -4.633 0.000 -1.559) 4.888 12.041 ( 2.158 0.000 6.189) 6.555 12.083 ( -1.530 0.000 -7.263) 7.422 12.126 ( -3.173 0.000 -4.164) 5.235 12.127 ( -2.635 0.000 -3.189) 4.136 12.268 ( -6.856 0.000 -0.902) 6.915 12.466 ( 1.374 0.000 -1.666) 2.159 12.524 ( 1.871 0.000 -3.920) 4.343 12.569 ( 1.617 0.000 -1.226) 2.029 12.584 ( -0.281 0.000 -2.531) 2.547 12.642 ( -0.143 0.000 -3.124) 3.127 12.675 ( 3.617 0.000 2.132) 4.198 12.729 ( 4.479 0.000 0.034) 4.479 12.803 ( -6.781 0.000 3.170) 7.486 12.825 ( -6.370 0.000 2.558) 6.864 12.841 ( -0.575 0.000 2.083) 2.161 12.948 ( -3.954 0.000 -2.797) 4.843 13.000 ( 0.425 0.000 1.959) 2.005 13.007 ( 5.099 0.000 1.152) 5.228 13.142 ( 6.525 0.000 6.857) 9.465 13.166 ( 6.172 0.000 3.841) 7.269 13.185 ( -10.097 0.000 -2.177) 10.329 13.358 ( 2.584 0.000 6.343) 6.849 13.397 ( -1.746 0.000 8.220) 8.403 13.483 ( 2.592 0.000 -2.150) 3.368 13.560 ( 1.804 0.000 -2.286) 2.912 13.648 ( 3.958 0.000 -3.376) 5.203 13.777 ( -1.649 0.000 1.291) 2.095 13.886 ( -2.952 0.000 4.072) 5.029 13.981 ( -4.071 0.000 0.216) 4.076 14.034 ( 13.335 0.000 5.642) 14.479 14.065 ( 3.146 0.000 7.806) 8.417 14.086 ( 2.698 0.000 1.551) 3.112 14.279 ( 2.145 0.000 0.950) 2.347 14.449 ( 3.830 0.000 2.336) 4.487 14.485 ( 9.472 0.000 0.809) 9.507 14.528 ( -0.243 0.000 0.490) 0.546 14.556 ( -1.956 0.000 -2.249) 2.981 14.793 ( -3.328 0.000 1.336) 3.586 14.829 ( -8.083 0.000 0.801) 8.123 14.889 ( -4.211 0.000 4.711) 6.319 14.971 ( -7.732 0.000 6.203) 9.913 15.127 ( -3.501 0.000 5.275) 6.331 15.152 ( -1.491 0.000 -0.002) 1.491 15.261 ( 2.169 0.000 -1.258) 2.508 15.473 ( -7.960 0.000 -3.156) 8.563 15.726 ( 5.248 0.000 1.372) 5.424 15.790 ( 4.894 0.000 4.995) 6.993 15.915 ( -2.433 0.000 -4.986) 5.548 16.035 ( -7.833 0.000 -3.550) 8.599 16.165 ( 2.700 0.000 -0.667) 2.781 16.254 ( -1.379 0.000 -2.126) 2.534 16.381 ( 4.722 0.000 -1.865) 5.078 16.436 ( 2.145 0.000 -0.689) 2.252 16.550 ( 2.342 0.000 -1.247) 2.653 16.584 ( 3.409 0.000 9.779) 10.357 16.629 ( 1.141 0.000 -1.281) 1.715 16.762 ( -1.899 0.000 7.296) 7.539 17.139 ( 4.116 0.000 0.328) 4.129 17.269 ( 3.165 0.000 3.016) 4.372 17.296 ( -3.370 0.000 3.997) 5.229 17.405 ( -2.694 0.000 -1.488) 3.078 17.591 ( 0.079 0.000 -1.963) 1.965 17.681 ( -4.366 0.000 0.099) 4.367 18.065 ( 8.637 0.000 -9.217) 12.632 18.195 ( 0.960 0.000 -9.335) 9.384 18.553 ( 2.040 0.000 -1.212) 2.373 18.584 ( 0.799 0.000 -2.935) 3.042 19.700 ( 3.026 0.000 -0.199) 3.033 19.840 ( -4.167 0.000 -3.229) 5.271 20.748 ( 2.123 0.000 -0.181) 2.131 20.764 ( 3.425 0.000 -2.422) 4.195 20.803 ( 4.569 0.000 1.683) 4.869 20.845 ( -1.135 0.000 1.111) 1.588 21.006 ( -5.476 0.000 -3.415) 6.454 21.026 ( -4.270 0.000 0.025) 4.271 21.217 ( -0.899 0.000 4.516) 4.605 21.348 ( -4.193 0.000 5.089) 6.594 21.718 ( -0.572 0.000 -2.265) 2.336 21.773 ( -1.110 0.000 -1.759) 2.080 22.076 ( -1.546 0.000 -0.586) 1.653 22.104 ( -2.830 0.000 -0.648) 2.903 22.357 ( 0.252 0.000 -0.772) 0.812 22.471 ( -5.625 0.000 -2.543) 6.174 25.157 ( 3.372 0.000 2.718) 4.331 25.175 ( 3.684 0.000 2.381) 4.386 25.295 ( -3.476 0.000 0.038) 3.476 25.339 ( -4.430 0.000 -0.242) 4.437 29.026 ( 1.855 0.000 0.613) 1.954 29.035 ( 1.291 0.000 0.614) 1.430 29.086 ( -1.092 0.000 -0.753) 1.326 29.099 ( -1.972 0.000 -0.811) 2.132 30.026 ( 7.477 0.000 1.709) 7.670 30.125 ( 9.203 0.000 1.618) 9.344 30.180 ( 0.048 0.000 -1.031) 1.032 30.351 ( -2.270 0.000 -2.730) 3.550 34.315 ( -0.116 0.000 0.333) 0.353 34.361 ( -2.324 0.000 -0.266) 2.339 34.380 ( -0.663 0.000 -0.597) 0.892 34.406 ( -1.774 0.000 -1.121) 2.098 97.721 ( 2.211 0.000 1.275) 2.553 97.735 ( 2.000 0.000 1.211) 2.339 97.812 ( -2.359 0.000 -0.178) 2.366 97.819 ( -2.223 0.000 -0.330) 2.248 99.967 ( 3.022 0.000 0.823) 3.132 100.096 ( -2.445 0.000 -0.721) 2.550 100.130 ( -2.203 0.000 -0.614) 2.287 100.142 ( -3.261 0.000 -1.401) 3.550 ======================= Grid point 60 (24/72) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.060 ( -26.604 0.000 3.437) 26.825 4.060 ( 26.604 0.000 3.437) 26.825 4.203 ( -26.255 0.000 12.638) 29.138 4.203 ( 26.255 0.000 12.638) 29.138 4.556 ( -4.664 0.000 1.153) 4.804 4.556 ( 4.664 0.000 1.153) 4.804 4.694 ( -0.874 0.000 10.126) 10.164 4.694 ( 0.874 0.000 10.126) 10.164 4.785 ( -9.252 0.000 3.818) 10.009 4.785 ( 9.252 0.000 3.818) 10.009 4.969 ( -2.134 0.000 4.104) 4.626 4.969 ( 2.134 0.000 4.104) 4.626 5.065 ( -10.476 0.000 2.162) 10.697 5.065 ( 10.476 0.000 2.162) 10.697 5.345 ( -6.870 0.000 -0.177) 6.873 5.345 ( 6.870 0.000 -0.177) 6.873 5.437 ( -1.000 0.000 -3.443) 3.586 5.437 ( 1.000 0.000 -3.443) 3.586 5.475 ( -3.449 0.000 6.038) 6.953 5.475 ( 3.449 0.000 6.038) 6.953 5.643 ( -0.618 0.000 -2.256) 2.339 5.643 ( 0.618 0.000 -2.256) 2.339 5.862 ( -10.059 0.000 -11.323) 15.146 5.862 ( 10.059 0.000 -11.323) 15.146 6.096 ( -4.292 0.000 6.286) 7.612 6.096 ( 4.292 0.000 6.286) 7.612 6.200 ( -3.699 0.000 3.382) 5.011 6.200 ( 3.699 0.000 3.382) 5.011 6.305 ( -5.085 0.000 -9.466) 10.746 6.305 ( 5.085 0.000 -9.466) 10.746 6.415 ( -3.718 0.000 -5.450) 6.597 6.415 ( 3.718 0.000 -5.450) 6.597 6.486 ( -4.505 0.000 0.140) 4.507 6.486 ( 4.505 0.000 0.140) 4.507 6.616 ( -0.659 0.000 14.290) 14.305 6.616 ( 0.659 0.000 14.290) 14.305 6.954 ( -5.443 0.000 5.693) 7.877 6.954 ( 5.443 0.000 5.693) 7.877 7.003 ( -11.027 0.000 5.546) 12.344 7.003 ( 11.027 0.000 5.546) 12.344 7.146 ( -2.331 0.000 -1.473) 2.757 7.146 ( 2.331 0.000 -1.473) 2.757 7.278 ( -3.464 0.000 -0.878) 3.574 7.278 ( 3.464 0.000 -0.878) 3.574 7.535 ( -11.035 0.000 -1.110) 11.091 7.535 ( 11.035 0.000 -1.110) 11.091 7.609 ( -1.415 0.000 1.318) 1.933 7.609 ( 1.415 0.000 1.318) 1.933 8.131 ( -4.720 0.000 -5.550) 7.286 8.131 ( 4.720 0.000 -5.550) 7.286 8.254 ( -15.634 0.000 -2.199) 15.788 8.254 ( 15.634 0.000 -2.199) 15.788 8.365 ( -4.216 0.000 -1.732) 4.558 8.365 ( 4.216 0.000 -1.732) 4.558 8.720 ( -1.223 0.000 -4.250) 4.423 8.720 ( 1.223 0.000 -4.250) 4.423 8.916 ( -6.358 0.000 -8.632) 10.721 8.916 ( 6.358 0.000 -8.632) 10.721 8.950 ( -7.046 0.000 -3.423) 7.834 8.950 ( 7.046 0.000 -3.423) 7.834 9.211 ( -3.669 0.000 -2.518) 4.450 9.211 ( 3.669 0.000 -2.518) 4.450 9.266 ( -2.613 0.000 3.190) 4.124 9.266 ( 2.613 0.000 3.190) 4.124 9.476 ( -7.926 0.000 -7.138) 10.667 9.476 ( 7.926 0.000 -7.138) 10.667 9.623 ( -5.275 0.000 -0.112) 5.277 9.623 ( 5.275 0.000 -0.112) 5.277 9.756 ( -3.196 0.000 -2.257) 3.913 9.756 ( 3.196 0.000 -2.257) 3.913 9.831 ( -0.275 0.000 -0.034) 0.277 9.831 ( 0.275 0.000 -0.034) 0.277 9.875 ( -1.230 0.000 3.866) 4.057 9.875 ( 1.230 0.000 3.866) 4.057 10.009 ( -8.526 0.000 -7.223) 11.174 10.009 ( 8.526 0.000 -7.223) 11.174 10.194 ( -3.556 0.000 4.609) 5.822 10.194 ( 3.556 0.000 4.609) 5.822 10.388 ( -1.992 0.000 -10.011) 10.208 10.388 ( 1.992 0.000 -10.011) 10.208 10.416 ( -4.062 0.000 0.387) 4.080 10.416 ( 4.062 0.000 0.387) 4.080 10.715 ( -1.747 0.000 -1.334) 2.198 10.715 ( 1.747 0.000 -1.334) 2.198 10.959 ( -1.615 0.000 3.436) 3.796 10.959 ( 1.615 0.000 3.436) 3.796 11.030 ( -0.233 0.000 1.779) 1.794 11.030 ( 0.233 0.000 1.779) 1.794 11.211 ( -0.260 0.000 -2.934) 2.945 11.211 ( 0.260 0.000 -2.934) 2.945 11.330 ( -3.007 0.000 -7.228) 7.829 11.330 ( 3.007 0.000 -7.228) 7.829 11.443 ( -2.980 0.000 0.559) 3.032 11.443 ( 2.980 0.000 0.559) 3.032 11.624 ( -1.377 0.000 4.169) 4.390 11.624 ( 1.377 0.000 4.169) 4.390 11.790 ( -2.085 0.000 1.016) 2.319 11.790 ( 2.085 0.000 1.016) 2.319 11.824 ( -0.858 0.000 -0.142) 0.870 11.824 ( 0.858 0.000 -0.142) 0.870 11.956 ( -1.515 0.000 -2.350) 2.796 11.956 ( 1.515 0.000 -2.350) 2.796 12.017 ( -8.027 0.000 2.791) 8.498 12.017 ( 8.027 0.000 2.791) 8.498 12.102 ( -0.769 0.000 -4.491) 4.556 12.102 ( 0.769 0.000 -4.491) 4.556 12.119 ( -4.690 0.000 -1.802) 5.024 12.119 ( 4.690 0.000 -1.802) 5.024 12.529 ( -1.494 0.000 -4.998) 5.217 12.529 ( 1.494 0.000 -4.998) 5.217 12.574 ( -2.815 0.000 1.521) 3.200 12.574 ( 2.815 0.000 1.521) 3.200 12.669 ( -0.258 0.000 -1.126) 1.155 12.669 ( 0.258 0.000 -1.126) 1.155 12.759 ( -0.876 0.000 0.277) 0.919 12.759 ( 0.876 0.000 0.277) 0.919 12.803 ( -3.306 0.000 -1.140) 3.497 12.803 ( 3.306 0.000 -1.140) 3.497 12.954 ( -9.069 0.000 -2.246) 9.343 12.954 ( 9.069 0.000 -2.246) 9.343 13.044 ( -1.250 0.000 2.128) 2.468 13.044 ( 1.250 0.000 2.128) 2.468 13.263 ( -0.655 0.000 8.741) 8.766 13.263 ( 0.655 0.000 8.741) 8.766 13.355 ( -0.407 0.000 9.083) 9.092 13.355 ( 0.407 0.000 9.083) 9.092 13.547 ( -2.851 0.000 -0.993) 3.019 13.547 ( 2.851 0.000 -0.993) 3.019 13.732 ( -3.313 0.000 -0.891) 3.431 13.732 ( 3.313 0.000 -0.891) 3.431 13.886 ( -3.814 0.000 1.068) 3.961 13.886 ( 3.814 0.000 1.068) 3.961 14.119 ( -0.866 0.000 4.837) 4.914 14.119 ( 0.866 0.000 4.837) 4.914 14.257 ( -7.816 0.000 3.386) 8.518 14.257 ( 7.816 0.000 3.386) 8.518 14.437 ( -4.081 0.000 -4.066) 5.761 14.437 ( 4.081 0.000 -4.066) 5.761 14.654 ( -1.956 0.000 3.735) 4.216 14.654 ( 1.956 0.000 3.735) 4.216 14.723 ( -0.587 0.000 2.366) 2.438 14.723 ( 0.587 0.000 2.366) 2.438 14.845 ( -2.367 0.000 5.844) 6.305 14.845 ( 2.367 0.000 5.844) 6.305 15.109 ( -2.115 0.000 3.115) 3.765 15.109 ( 2.115 0.000 3.115) 3.765 15.340 ( -5.555 0.000 -1.946) 5.886 15.340 ( 5.555 0.000 -1.946) 5.886 15.806 ( -2.676 0.000 1.359) 3.002 15.806 ( 2.676 0.000 1.359) 3.002 15.925 ( -3.668 0.000 -3.759) 5.252 15.925 ( 3.668 0.000 -3.759) 5.252 16.216 ( -2.391 0.000 -0.921) 2.562 16.216 ( 2.391 0.000 -0.921) 2.562 16.444 ( -1.369 0.000 0.084) 1.372 16.444 ( 1.369 0.000 0.084) 1.372 16.585 ( -1.168 0.000 -0.278) 1.200 16.585 ( 1.168 0.000 -0.278) 1.200 16.704 ( -4.017 0.000 6.015) 7.233 16.704 ( 4.017 0.000 6.015) 7.233 17.221 ( -4.232 0.000 2.378) 4.855 17.221 ( 4.232 0.000 2.378) 4.855 17.338 ( -3.866 0.000 0.068) 3.867 17.338 ( 3.866 0.000 0.068) 3.867 17.616 ( -2.373 0.000 -0.935) 2.550 17.616 ( 2.373 0.000 -0.935) 2.550 18.177 ( -3.096 0.000 -9.773) 10.252 18.177 ( 3.096 0.000 -9.773) 10.252 18.583 ( -0.904 0.000 -2.234) 2.410 18.583 ( 0.904 0.000 -2.234) 2.410 19.765 ( -3.659 0.000 -1.491) 3.951 19.765 ( 3.659 0.000 -1.491) 3.951 20.774 ( -1.023 0.000 -0.176) 1.038 20.774 ( 1.023 0.000 -0.176) 1.038 20.897 ( -3.359 0.000 0.933) 3.486 20.897 ( 3.359 0.000 0.933) 3.486 20.917 ( -4.502 0.000 -0.674) 4.552 20.917 ( 4.502 0.000 -0.674) 4.552 21.257 ( -4.244 0.000 2.819) 5.094 21.257 ( 4.244 0.000 2.819) 5.094 21.742 ( -1.978 0.000 -1.530) 2.501 21.742 ( 1.978 0.000 -1.530) 2.501 22.068 ( -0.742 0.000 -0.391) 0.839 22.068 ( 0.742 0.000 -0.391) 0.839 22.388 ( -2.983 0.000 -1.626) 3.398 22.388 ( 2.983 0.000 -1.626) 3.398 25.226 ( -3.643 0.000 1.255) 3.853 25.226 ( 3.643 0.000 1.255) 3.853 25.253 ( -4.340 0.000 0.880) 4.428 25.253 ( 4.340 0.000 0.880) 4.428 29.062 ( -1.779 0.000 -0.161) 1.786 29.062 ( 1.779 0.000 -0.161) 1.786 29.062 ( -1.497 0.000 -0.212) 1.512 29.062 ( 1.497 0.000 -0.212) 1.512 30.140 ( -4.132 0.000 0.351) 4.147 30.140 ( 4.132 0.000 0.351) 4.147 30.272 ( -5.891 0.000 -0.308) 5.899 30.272 ( 5.891 0.000 -0.308) 5.899 34.326 ( -1.212 0.000 0.051) 1.213 34.326 ( 1.212 0.000 0.051) 1.213 34.381 ( -0.733 0.000 -0.816) 1.097 34.381 ( 0.733 0.000 -0.816) 1.097 97.765 ( -2.394 0.000 0.489) 2.443 97.765 ( 2.394 0.000 0.489) 2.443 97.776 ( -2.222 0.000 0.348) 2.249 97.776 ( 2.222 0.000 0.348) 2.249 100.033 ( -3.690 0.000 0.196) 3.695 100.033 ( 3.690 0.000 0.196) 3.695 100.111 ( -0.135 0.000 -0.999) 1.008 100.111 ( 0.135 0.000 -0.999) 1.008 ======================= Grid point 66 (25/72) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.000 31.166 33.166) 45.512 1.259 ( 0.000 34.012 33.849) 47.985 1.992 ( 0.000 55.375 51.740) 75.785 2.462 ( 0.000 -35.567 16.438) 39.182 2.545 ( 0.000 -36.193 25.772) 44.431 3.818 ( 0.000 30.262 8.563) 31.450 3.878 ( 0.000 27.749 11.393) 29.997 3.995 ( 0.000 -5.427 -25.473) 26.044 4.223 ( 0.000 0.485 -31.050) 31.054 4.455 ( 0.000 -50.309 10.532) 51.399 4.515 ( 0.000 -2.029 -21.123) 21.220 4.765 ( 0.000 -19.862 0.068) 19.862 4.824 ( 0.000 -14.896 -26.409) 30.320 4.936 ( 0.000 -22.131 13.772) 26.066 5.117 ( 0.000 3.390 3.839) 5.121 5.313 ( 0.000 2.208 -3.413) 4.064 5.487 ( 0.000 17.659 -6.733) 18.899 5.490 ( 0.000 7.180 -11.635) 13.672 5.627 ( 0.000 -2.508 14.407) 14.624 5.630 ( 0.000 -2.435 6.633) 7.066 5.839 ( 0.000 3.393 -1.904) 3.891 5.879 ( 0.000 8.659 -4.601) 9.806 5.912 ( 0.000 8.664 8.296) 11.995 5.980 ( 0.000 4.809 -4.252) 6.420 6.037 ( 0.000 -6.395 -2.380) 6.824 6.194 ( 0.000 3.927 6.663) 7.734 6.247 ( 0.000 -5.059 -6.612) 8.325 6.400 ( 0.000 -0.773 -4.965) 5.025 6.470 ( 0.000 -1.100 11.656) 11.708 6.521 ( 0.000 -7.122 16.468) 17.942 6.654 ( 0.000 1.732 11.302) 11.434 6.706 ( 0.000 4.747 8.095) 9.384 6.849 ( 0.000 -3.446 4.879) 5.974 6.853 ( 0.000 -0.719 1.762) 1.903 7.033 ( 0.000 -0.007 17.176) 17.176 7.037 ( 0.000 0.181 0.192) 0.263 7.139 ( 0.000 -3.686 8.842) 9.580 7.207 ( 0.000 9.479 -4.724) 10.591 7.273 ( 0.000 -4.451 -3.449) 5.631 7.362 ( 0.000 4.976 2.000) 5.362 7.411 ( 0.000 3.581 -5.209) 6.321 7.486 ( 0.000 12.965 4.254) 13.645 7.500 ( 0.000 -3.874 2.113) 4.413 7.666 ( 0.000 12.667 -8.711) 15.373 7.787 ( 0.000 14.500 -6.820) 16.024 7.902 ( 0.000 -2.942 -10.944) 11.333 7.968 ( 0.000 -3.430 -10.320) 10.875 8.101 ( 0.000 8.500 7.732) 11.491 8.150 ( 0.000 -4.749 -1.152) 4.887 8.169 ( 0.000 0.951 8.930) 8.980 8.224 ( 0.000 1.259 2.438) 2.744 8.331 ( 0.000 -0.246 -3.023) 3.033 8.459 ( 0.000 -4.838 -16.997) 17.672 8.514 ( 0.000 -9.967 -6.619) 11.965 8.536 ( 0.000 -5.076 -0.368) 5.089 8.687 ( 0.000 -3.944 -12.797) 13.391 8.853 ( 0.000 1.073 -10.004) 10.061 8.882 ( 0.000 7.455 2.972) 8.025 9.092 ( 0.000 -12.649 -8.598) 15.295 9.124 ( 0.000 4.887 -3.948) 6.282 9.288 ( 0.000 3.499 -12.478) 12.959 9.367 ( 0.000 1.754 -15.604) 15.703 9.416 ( 0.000 -5.160 -4.138) 6.614 9.488 ( 0.000 -0.777 -14.245) 14.267 9.553 ( 0.000 -1.539 4.540) 4.794 9.595 ( 0.000 -1.570 1.979) 2.526 9.660 ( 0.000 0.265 7.041) 7.046 9.689 ( 0.000 -0.252 -0.235) 0.344 9.742 ( 0.000 0.324 -6.619) 6.627 9.809 ( 0.000 -4.691 -5.958) 7.583 9.863 ( 0.000 2.925 -1.094) 3.123 9.909 ( 0.000 -2.536 -3.712) 4.495 10.054 ( 0.000 -3.391 -8.613) 9.256 10.099 ( 0.000 -0.512 -0.833) 0.978 10.112 ( 0.000 1.673 1.983) 2.594 10.219 ( 0.000 1.572 -4.458) 4.727 10.274 ( 0.000 -0.502 4.545) 4.573 10.355 ( 0.000 1.067 8.854) 8.918 10.396 ( 0.000 -1.186 -1.444) 1.869 10.460 ( 0.000 -2.516 4.897) 5.505 10.562 ( 0.000 0.447 4.364) 4.387 10.607 ( 0.000 4.321 6.865) 8.112 10.634 ( 0.000 -1.056 8.845) 8.908 10.707 ( 0.000 -1.807 -2.333) 2.951 10.783 ( 0.000 2.426 -0.225) 2.436 10.795 ( 0.000 -3.484 5.523) 6.530 10.853 ( 0.000 -0.069 3.764) 3.765 10.925 ( 0.000 6.834 -7.865) 10.419 11.087 ( 0.000 2.226 -0.747) 2.348 11.099 ( 0.000 5.201 -0.984) 5.294 11.121 ( 0.000 3.017 3.963) 4.981 11.179 ( 0.000 3.217 2.962) 4.373 11.294 ( 0.000 -3.857 6.640) 7.679 11.440 ( 0.000 -3.981 0.138) 3.984 11.483 ( 0.000 -1.979 -1.597) 2.543 11.551 ( 0.000 -8.197 3.299) 8.836 11.626 ( 0.000 -0.925 6.337) 6.404 11.635 ( 0.000 5.676 -6.784) 8.845 11.765 ( 0.000 -4.932 3.454) 6.021 11.779 ( 0.000 -0.540 5.018) 5.046 11.922 ( 0.000 3.685 -7.825) 8.649 11.926 ( 0.000 0.154 -2.296) 2.302 12.061 ( 0.000 2.358 -1.890) 3.022 12.171 ( 0.000 -0.790 1.459) 1.660 12.191 ( 0.000 3.079 6.245) 6.963 12.266 ( 0.000 -4.225 1.917) 4.639 12.274 ( 0.000 7.257 -5.390) 9.040 12.428 ( 0.000 1.046 -6.155) 6.243 12.466 ( 0.000 4.462 -0.193) 4.467 12.599 ( 0.000 -2.180 -2.227) 3.117 12.616 ( 0.000 11.392 6.904) 13.321 12.731 ( 0.000 2.710 -1.143) 2.941 12.783 ( 0.000 -0.172 4.282) 4.285 12.864 ( 0.000 -1.825 3.107) 3.603 12.899 ( 0.000 -1.936 2.612) 3.251 12.931 ( 0.000 0.882 6.422) 6.482 12.982 ( 0.000 -0.444 -0.180) 0.479 13.054 ( 0.000 0.258 -3.957) 3.965 13.056 ( 0.000 4.611 -1.766) 4.937 13.065 ( 0.000 4.922 -2.243) 5.409 13.084 ( 0.000 -0.445 7.654) 7.667 13.150 ( 0.000 2.702 -3.292) 4.259 13.205 ( 0.000 -0.811 2.776) 2.892 13.257 ( 0.000 -13.214 7.579) 15.233 13.265 ( 0.000 -2.442 0.050) 2.443 13.311 ( 0.000 -2.654 -2.632) 3.738 13.515 ( 0.000 1.418 2.735) 3.081 13.637 ( 0.000 -8.322 -1.559) 8.466 13.637 ( 0.000 -4.723 5.065) 6.925 13.718 ( 0.000 -4.710 -6.233) 7.812 13.786 ( 0.000 -0.601 -3.009) 3.068 13.887 ( 0.000 -1.343 -10.356) 10.442 13.894 ( 0.000 6.908 1.939) 7.175 13.962 ( 0.000 0.711 -0.609) 0.936 14.034 ( 0.000 -1.217 1.601) 2.012 14.183 ( 0.000 4.957 6.338) 8.046 14.187 ( 0.000 -3.784 8.310) 9.131 14.380 ( 0.000 -5.909 2.768) 6.525 14.477 ( 0.000 0.857 7.957) 8.003 14.544 ( 0.000 -3.643 8.035) 8.822 14.581 ( 0.000 16.791 -10.270) 19.683 14.724 ( 0.000 4.111 -3.285) 5.262 14.928 ( 0.000 -7.354 0.596) 7.378 14.953 ( 0.000 -5.682 0.148) 5.684 15.349 ( 0.000 15.071 -5.731) 16.124 15.423 ( 0.000 -2.041 -1.852) 2.756 15.437 ( 0.000 -1.270 -1.160) 1.719 15.617 ( 0.000 3.317 -0.663) 3.383 15.749 ( 0.000 -3.687 -5.024) 6.232 15.781 ( 0.000 -6.100 -4.556) 7.613 15.855 ( 0.000 2.388 -0.678) 2.483 15.942 ( 0.000 -1.699 -2.077) 2.684 16.097 ( 0.000 4.428 3.381) 5.571 16.173 ( 0.000 7.860 2.597) 8.278 16.241 ( 0.000 -3.224 5.993) 6.805 16.296 ( 0.000 -0.490 7.049) 7.066 16.451 ( 0.000 3.865 4.165) 5.682 16.522 ( 0.000 1.423 -4.033) 4.276 16.629 ( 0.000 -4.240 7.788) 8.867 16.653 ( 0.000 -3.028 -17.111) 17.377 17.044 ( 0.000 1.869 2.258) 2.932 17.116 ( 0.000 -1.534 1.640) 2.245 17.130 ( 0.000 5.904 -1.706) 6.146 17.417 ( 0.000 -2.057 15.685) 15.819 17.549 ( 0.000 -8.539 -1.782) 8.723 17.639 ( 0.000 -9.990 4.719) 11.048 18.296 ( 0.000 9.096 -1.311) 9.190 18.444 ( 0.000 6.028 -1.045) 6.118 18.448 ( 0.000 -1.434 0.911) 1.699 18.854 ( 0.000 -13.012 3.774) 13.548 19.643 ( 0.000 5.195 -5.960) 7.906 19.701 ( 0.000 -0.249 -2.476) 2.489 20.350 ( 0.000 0.268 -0.060) 0.275 20.362 ( 0.000 -0.239 -0.219) 0.324 20.581 ( 0.000 0.613 -3.181) 3.240 20.613 ( 0.000 0.017 -0.974) 0.974 21.046 ( 0.000 -0.036 -4.715) 4.716 21.293 ( 0.000 -7.101 -6.371) 9.540 21.456 ( 0.000 3.776 2.840) 4.725 21.497 ( 0.000 0.148 1.737) 1.743 22.049 ( 0.000 -3.395 0.770) 3.481 22.052 ( 0.000 -5.502 3.645) 6.600 22.265 ( 0.000 6.836 1.921) 7.100 22.453 ( 0.000 -2.969 2.588) 3.939 22.707 ( 0.000 16.263 -15.111) 22.200 22.940 ( 0.000 -1.774 -6.543) 6.779 25.028 ( 0.000 1.330 6.977) 7.102 25.233 ( 0.000 -13.893 12.803) 18.893 25.470 ( 0.000 1.557 -0.979) 1.840 25.539 ( 0.000 -1.542 -0.714) 1.699 28.941 ( 0.000 1.025 2.463) 2.668 29.050 ( 0.000 -6.253 3.503) 7.168 29.162 ( 0.000 -0.642 1.878) 1.985 29.201 ( 0.000 -1.065 -0.737) 1.295 29.492 ( 0.000 0.492 3.679) 3.712 29.500 ( 0.000 -0.114 4.338) 4.340 29.801 ( 0.000 0.478 -1.865) 1.925 29.823 ( 0.000 -0.621 -1.786) 1.891 34.458 ( 0.000 4.490 -3.847) 5.912 34.503 ( 0.000 0.353 -1.126) 1.179 34.518 ( 0.000 -0.342 -0.866) 0.931 34.522 ( 0.000 -0.481 -1.641) 1.710 97.633 ( 0.000 0.796 4.069) 4.146 97.729 ( 0.000 -6.815 7.296) 9.983 97.930 ( 0.000 0.085 -0.550) 0.557 97.933 ( 0.000 -0.007 -1.180) 1.180 100.124 ( 0.000 12.296 -12.598) 17.604 100.167 ( 0.000 1.066 -3.121) 3.298 100.297 ( 0.000 3.098 -1.746) 3.556 100.449 ( 0.000 -1.985 -4.502) 4.921 ======================= Grid point 67 (26/72) ======================= q-point: ( 0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 29.323 24.496 25.300) 45.825 1.537 ( 24.582 31.889 24.741) 47.257 2.486 ( 45.437 40.398 42.325) 74.081 2.622 ( 16.916 -34.237 15.897) 41.365 2.758 ( 19.689 -34.473 19.934) 44.423 3.918 ( 10.310 28.765 5.686) 31.082 3.977 ( 9.725 23.701 11.029) 27.892 4.107 ( 10.178 0.916 -27.043) 28.909 4.232 ( 1.677 3.380 -28.962) 29.207 4.508 ( 2.522 -10.995 -14.331) 18.238 4.595 ( 10.852 -37.773 4.460) 39.553 4.810 ( 0.577 -18.300 -22.194) 28.772 4.844 ( 5.836 -17.330 -0.330) 18.290 4.991 ( 5.584 -19.119 12.728) 23.637 5.149 ( 3.641 0.622 3.156) 4.859 5.311 ( -1.025 1.662 -2.074) 2.848 5.480 ( -0.227 14.887 -4.244) 15.482 5.507 ( 1.943 5.771 -11.622) 13.121 5.635 ( -0.204 -1.742 8.035) 8.224 5.668 ( 1.202 -2.387 11.443) 11.750 5.763 ( -7.318 2.063 11.314) 13.631 5.848 ( -2.207 6.253 8.290) 10.615 5.937 ( 3.366 10.095 -3.209) 11.115 5.977 ( -1.065 3.928 -4.766) 6.267 5.995 ( -3.141 -6.960 -3.612) 8.447 6.128 ( -4.149 6.675 6.800) 10.393 6.261 ( 1.841 -1.587 0.899) 2.592 6.351 ( -5.094 -0.529 -1.254) 5.273 6.410 ( -4.362 -2.990 10.828) 12.050 6.522 ( -5.087 -7.108 7.618) 11.595 6.607 ( -4.106 1.165 8.265) 9.302 6.650 ( -3.124 1.249 12.881) 13.313 6.743 ( -6.687 -2.386 4.409) 8.358 6.856 ( -5.986 -1.357 4.933) 7.875 6.924 ( -9.885 1.943 4.902) 11.203 6.964 ( -4.411 2.498 12.624) 13.603 7.034 ( -7.942 0.192 8.255) 11.457 7.203 ( -5.423 9.433 -2.003) 11.064 7.285 ( -0.675 -9.799 -0.954) 9.869 7.309 ( 0.037 1.464 -2.956) 3.299 7.412 ( -2.473 0.978 -5.096) 5.748 7.446 ( -1.707 -0.404 -7.420) 7.624 7.567 ( 7.007 12.919 -1.764) 14.802 7.712 ( 2.735 10.888 -6.131) 12.791 7.885 ( 6.869 9.689 -6.980) 13.776 7.940 ( 0.487 0.436 -6.808) 6.839 7.979 ( -7.063 2.740 -2.008) 7.838 8.047 ( -2.919 0.622 -9.414) 9.875 8.085 ( -4.224 0.448 -3.409) 5.447 8.188 ( -2.550 -0.276 -0.822) 2.693 8.247 ( 3.187 1.120 -2.144) 4.001 8.345 ( 5.139 -0.958 -6.623) 8.437 8.406 ( 5.460 1.972 -2.386) 6.276 8.580 ( 2.423 -3.599 -4.543) 6.281 8.654 ( 3.204 -7.675 -4.616) 9.512 8.709 ( 2.291 -1.538 -10.613) 10.966 8.771 ( -0.381 0.167 -4.822) 4.840 8.948 ( -5.804 -4.992 -2.355) 8.009 8.980 ( 0.010 -1.462 -0.896) 1.715 9.045 ( -8.186 -5.178 -10.420) 14.227 9.201 ( -2.732 6.213 -4.934) 8.391 9.246 ( -10.421 1.115 -10.503) 14.838 9.418 ( -3.332 -7.679 -7.078) 10.962 9.447 ( -9.385 -6.645 -6.931) 13.427 9.515 ( -6.129 -2.277 -0.615) 6.567 9.582 ( -7.327 -1.909 1.314) 7.685 9.628 ( 1.172 0.720 1.952) 2.388 9.679 ( -1.652 1.235 0.745) 2.193 9.769 ( 4.897 3.779 -2.891) 6.828 9.801 ( 0.253 1.595 -2.623) 3.080 9.825 ( 1.408 -1.682 -4.040) 4.597 9.959 ( -0.284 -0.960 -2.290) 2.499 10.009 ( 5.458 1.841 -6.169) 8.440 10.056 ( 0.590 0.181 -6.651) 6.680 10.177 ( 1.625 -1.371 0.050) 2.127 10.180 ( -3.804 0.804 -2.409) 4.574 10.311 ( -6.920 -0.058 -0.020) 6.921 10.343 ( 2.131 -2.051 -0.001) 2.958 10.399 ( -1.871 3.136 -0.432) 3.677 10.453 ( -7.029 4.885 2.344) 8.875 10.560 ( -5.090 -3.271 1.281) 6.185 10.598 ( 5.257 -3.990 5.848) 8.818 10.677 ( 5.798 -1.131 7.224) 9.332 10.710 ( 5.145 1.516 10.040) 11.383 10.753 ( 4.529 -0.901 0.369) 4.633 10.883 ( 0.868 2.539 -0.950) 2.846 10.948 ( 6.347 -1.929 1.849) 6.887 11.029 ( 7.500 1.054 5.162) 9.165 11.118 ( 5.901 2.593 1.499) 6.617 11.119 ( 1.944 5.413 0.491) 5.772 11.172 ( 3.101 1.638 0.598) 3.557 11.238 ( 5.942 0.255 1.905) 6.245 11.296 ( -0.537 -4.757 5.526) 7.311 11.405 ( 0.051 1.529 -0.380) 1.577 11.462 ( -1.755 -5.477 3.295) 6.629 11.581 ( 4.867 -2.057 1.210) 5.421 11.688 ( 6.817 4.690 -1.107) 8.348 11.761 ( 7.871 3.350 -2.455) 8.900 11.784 ( 1.105 -0.173 6.412) 6.509 11.857 ( 3.227 3.296 1.717) 4.922 11.876 ( 0.338 1.236 -4.445) 4.626 11.932 ( -0.388 -0.847 -4.869) 4.957 12.008 ( 1.206 -1.875 3.613) 4.246 12.102 ( -7.113 1.242 4.119) 8.312 12.153 ( -5.245 0.782 -0.903) 5.379 12.229 ( -2.306 -1.594 3.323) 4.347 12.290 ( -4.876 0.884 4.006) 6.373 12.312 ( -4.983 3.642 -1.186) 6.285 12.402 ( -3.398 -0.581 -4.037) 5.309 12.506 ( -7.988 -1.160 -2.436) 8.431 12.597 ( -8.633 7.887 2.781) 12.019 12.635 ( 0.224 7.351 2.402) 7.736 12.780 ( 0.118 -1.996 2.772) 3.418 12.826 ( -1.075 -2.569 -1.970) 3.411 12.868 ( -3.947 -4.648 -0.145) 6.100 12.934 ( -4.780 -0.464 2.784) 5.550 12.991 ( -4.210 3.679 -0.004) 5.591 13.028 ( 0.462 2.188 6.033) 6.434 13.064 ( 0.288 1.113 -0.961) 1.499 13.090 ( -3.163 0.254 -2.708) 4.172 13.124 ( 2.101 2.104 -2.450) 3.853 13.151 ( -0.803 -3.691 1.710) 4.146 13.192 ( 3.176 -1.961 2.693) 4.603 13.252 ( 6.449 -1.402 1.698) 6.815 13.304 ( 3.615 -0.245 0.318) 3.637 13.352 ( 0.359 -7.256 3.712) 8.158 13.534 ( 0.256 1.788 1.549) 2.380 13.589 ( -3.996 -2.238 -0.622) 4.622 13.645 ( -2.934 0.847 -4.178) 5.175 13.744 ( 3.524 -5.660 0.544) 6.690 13.782 ( -4.348 -5.752 -5.008) 8.779 13.830 ( -3.303 5.965 -1.687) 7.024 13.973 ( 2.963 -6.811 -2.614) 7.874 14.004 ( -0.354 -1.064 -2.369) 2.621 14.035 ( 0.928 3.631 1.688) 4.110 14.173 ( 1.520 1.187 5.765) 6.079 14.212 ( 5.476 -0.865 4.310) 7.023 14.359 ( -5.715 -5.262 5.545) 9.545 14.448 ( 1.139 -0.312 0.750) 1.399 14.552 ( -0.570 -4.197 4.576) 6.236 14.721 ( 12.885 6.902 -6.896) 16.163 14.769 ( 3.853 3.637 -3.813) 6.528 14.925 ( 1.407 -0.392 0.849) 1.689 14.990 ( 4.808 -4.958 1.467) 7.060 15.297 ( -4.711 6.678 -3.350) 8.833 15.354 ( -4.864 -0.368 -0.466) 4.900 15.374 ( -3.487 1.958 0.052) 3.999 15.573 ( -4.278 3.984 -2.435) 6.333 15.722 ( -2.509 -5.026 -2.302) 6.071 15.816 ( 2.641 -3.744 -3.100) 5.532 15.976 ( 2.357 1.093 -0.892) 2.747 16.023 ( 5.023 -0.585 3.960) 6.423 16.084 ( 2.839 3.624 -0.724) 4.661 16.183 ( 1.681 6.620 -2.026) 7.125 16.261 ( 2.596 -3.562 3.360) 5.542 16.304 ( 1.327 1.927 6.699) 7.096 16.399 ( -0.979 4.569 1.189) 4.821 16.583 ( -1.007 -3.873 -7.674) 8.655 16.628 ( 2.175 -1.425 -1.837) 3.184 16.679 ( 2.319 -2.660 1.983) 4.048 17.043 ( 0.023 1.785 1.712) 2.473 17.110 ( 0.061 -0.766 1.935) 2.082 17.189 ( 5.930 4.188 -0.844) 7.309 17.398 ( -1.716 -3.098 16.266) 16.647 17.550 ( 0.695 -4.472 -2.882) 5.366 17.638 ( 0.128 -8.501 2.389) 8.831 18.227 ( -5.861 6.308 -3.651) 9.353 18.362 ( -23.138 3.869 10.427) 25.672 18.440 ( 0.091 2.830 0.119) 2.834 18.481 ( -0.519 1.871 -1.306) 2.340 19.622 ( 2.742 5.994 0.047) 6.591 20.005 ( 4.092 -12.641 -10.456) 16.908 20.436 ( 7.534 2.009 -0.534) 7.816 20.546 ( 12.446 -3.727 -5.498) 14.108 20.598 ( 2.148 -0.127 -2.660) 3.421 20.647 ( 7.106 -2.745 -1.122) 7.700 21.039 ( -0.372 1.438 -5.159) 5.369 21.292 ( 0.024 -6.822 -4.342) 8.087 21.406 ( -4.598 3.776 1.151) 6.060 21.473 ( -2.614 -0.179 4.262) 5.003 21.946 ( -7.525 -1.557 4.916) 9.123 22.018 ( -4.671 -4.754 0.827) 6.715 22.254 ( -1.388 5.671 0.978) 5.919 22.437 ( -1.637 -2.988 2.041) 3.972 22.593 ( -8.964 15.860 -8.674) 20.177 22.876 ( -6.234 -2.697 -5.941) 9.024 25.034 ( 0.711 0.949 6.426) 6.535 25.143 ( -5.345 -5.604 12.915) 15.059 25.453 ( -1.362 1.792 -1.439) 2.671 25.523 ( -1.619 -1.476 -0.865) 2.356 28.946 ( 0.629 0.864 2.277) 2.515 29.017 ( -1.867 -3.176 5.028) 6.234 29.136 ( -0.971 1.806 -0.680) 2.160 29.192 ( -0.944 -1.058 -0.802) 1.629 29.549 ( 6.009 0.396 4.201) 7.343 29.553 ( 5.256 0.108 4.143) 6.693 29.898 ( 6.993 1.017 -2.574) 7.521 30.038 ( 14.685 -8.085 -9.178) 19.112 34.420 ( -2.574 3.701 -1.013) 4.620 34.496 ( -2.165 -0.870 -1.073) 2.568 34.503 ( -1.000 0.125 -1.573) 1.868 34.509 ( -1.039 -0.099 -1.483) 1.814 97.638 ( 0.555 0.663 3.747) 3.845 97.698 ( -1.916 -3.000 6.443) 7.361 97.920 ( -0.983 0.086 -0.621) 1.166 97.922 ( -1.007 0.046 -1.267) 1.619 100.003 ( -5.381 10.002 -2.309) 11.590 100.189 ( -1.510 -1.763 -4.294) 4.882 100.311 ( 0.168 2.556 -3.127) 4.042 100.406 ( -4.090 -1.230 -3.632) 5.607 ======================= Grid point 68 (27/72) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( 33.590 24.289 15.523) 44.263 2.161 ( 38.208 16.082 19.476) 45.802 3.033 ( 25.431 -27.600 15.107) 40.456 3.212 ( 25.188 -32.699 9.561) 42.368 3.534 ( 56.808 23.389 25.035) 66.339 4.145 ( 11.353 21.021 0.545) 23.897 4.233 ( 14.754 17.887 -6.872) 24.183 4.338 ( 11.187 11.955 -7.684) 18.086 4.354 ( 14.817 5.312 -24.947) 29.498 4.595 ( 7.149 -3.146 -10.236) 12.876 4.733 ( 2.602 -12.657 -16.627) 21.057 4.906 ( 3.812 -10.975 -1.915) 11.775 5.034 ( 15.315 -28.443 6.507) 32.953 5.107 ( 7.228 -16.167 6.846) 18.986 5.245 ( 4.118 -5.454 3.056) 7.487 5.282 ( -0.665 -2.151 3.263) 3.964 5.441 ( -10.275 4.661 8.721) 14.260 5.477 ( -2.978 8.980 1.966) 9.663 5.593 ( 2.553 -1.607 0.601) 3.076 5.651 ( -2.949 -2.348 10.174) 10.850 5.715 ( -1.669 -5.242 12.076) 13.270 5.861 ( 5.186 2.848 5.419) 8.023 5.908 ( -4.694 -4.216 -1.705) 6.536 5.936 ( -1.581 7.224 3.781) 8.306 6.000 ( 2.055 8.049 -1.955) 8.534 6.117 ( 1.499 -3.931 -0.504) 4.237 6.246 ( -5.774 3.813 2.613) 7.396 6.286 ( -0.606 2.715 3.286) 4.305 6.337 ( -0.847 1.875 9.065) 9.296 6.382 ( -6.705 -5.502 9.106) 12.576 6.450 ( -7.462 6.646 4.194) 10.837 6.572 ( -6.348 -1.106 10.515) 12.332 6.659 ( -10.629 -0.873 12.600) 16.508 6.670 ( -8.994 -2.742 7.892) 12.275 6.703 ( -7.158 -5.861 4.235) 10.175 6.836 ( -5.141 2.429 1.907) 5.998 6.945 ( -4.484 -3.672 7.052) 9.128 7.074 ( -6.654 12.884 -0.038) 14.501 7.194 ( -7.549 -12.107 -4.001) 14.818 7.246 ( -8.698 -0.795 -2.461) 9.074 7.346 ( -3.518 -2.177 -3.897) 5.683 7.454 ( 0.298 0.494 -9.493) 9.511 7.617 ( -6.480 4.604 1.620) 8.113 7.685 ( -14.722 -0.101 -5.616) 15.757 7.746 ( -2.280 9.414 -6.220) 11.511 7.825 ( -5.400 7.683 -8.166) 12.445 7.975 ( -0.628 5.755 -9.416) 11.053 7.993 ( 0.454 11.299 -3.322) 11.786 8.124 ( -3.770 2.871 -4.954) 6.856 8.144 ( 0.761 6.118 -13.927) 15.231 8.272 ( 1.237 0.460 -8.232) 8.337 8.439 ( -10.842 -3.171 -10.898) 15.696 8.515 ( 6.862 -1.129 -8.622) 11.077 8.548 ( -4.228 1.190 0.257) 4.399 8.661 ( 10.292 -0.465 -3.508) 10.884 8.739 ( 2.797 -4.187 -5.113) 7.176 8.844 ( -2.954 0.967 -5.413) 6.242 8.887 ( -5.323 -8.507 -5.210) 11.307 8.928 ( -9.024 -5.375 -1.542) 10.616 8.956 ( -3.778 -3.771 -4.360) 6.892 9.082 ( 7.211 -3.400 -1.365) 8.088 9.115 ( -3.918 -4.510 -0.165) 5.977 9.212 ( -4.160 -0.424 -7.418) 8.515 9.383 ( -2.695 -6.825 -3.891) 8.306 9.435 ( 1.360 1.670 -3.417) 4.039 9.520 ( -2.501 -1.054 -0.343) 2.736 9.620 ( -1.654 5.627 -3.083) 6.626 9.669 ( 0.835 2.299 2.921) 3.809 9.759 ( -2.082 3.466 -1.116) 4.195 9.837 ( 1.668 -3.253 -2.758) 4.579 9.870 ( -0.577 -0.853 -2.998) 3.170 9.960 ( 0.202 -1.998 -1.416) 2.457 10.063 ( -3.428 1.026 -0.157) 3.582 10.092 ( 0.175 3.142 0.271) 3.159 10.138 ( 2.466 -1.966 -6.095) 6.863 10.213 ( 2.345 1.244 -4.665) 5.367 10.241 ( 0.697 -0.805 -0.488) 1.171 10.299 ( -5.499 0.281 -2.302) 5.968 10.317 ( -4.514 1.767 -4.128) 6.367 10.352 ( -4.396 2.741 -1.089) 5.294 10.444 ( -5.279 -1.451 -2.201) 5.901 10.556 ( -7.658 -2.071 1.711) 8.115 10.726 ( 1.493 0.822 5.480) 5.739 10.820 ( 2.011 -2.994 2.900) 4.628 10.891 ( 1.608 5.511 3.654) 6.805 10.930 ( 7.123 1.073 8.787) 11.362 10.999 ( -1.951 -1.899 4.168) 4.978 11.117 ( 2.323 -3.139 2.618) 4.701 11.193 ( 5.236 0.522 -0.283) 5.269 11.216 ( 2.654 -1.046 0.409) 2.882 11.294 ( 9.898 0.852 2.028) 10.139 11.308 ( 4.065 -1.293 4.488) 6.192 11.369 ( 5.665 -2.166 1.426) 6.230 11.417 ( 1.310 -3.288 6.537) 7.434 11.575 ( 10.592 4.426 1.959) 11.645 11.645 ( -4.133 3.440 -5.089) 7.404 11.712 ( 0.050 1.679 -3.909) 4.255 11.755 ( -1.784 4.960 1.386) 5.450 11.836 ( 0.478 4.017 -0.245) 4.053 11.904 ( -4.283 5.436 3.096) 7.581 11.931 ( 2.076 -0.196 -1.257) 2.435 11.968 ( -1.040 0.383 1.882) 2.184 12.022 ( 3.553 0.256 3.289) 4.848 12.065 ( 0.191 -7.337 2.669) 7.810 12.106 ( 4.921 -1.012 0.907) 5.105 12.168 ( -0.419 6.109 -0.322) 6.132 12.220 ( 1.348 1.450 3.910) 4.383 12.245 ( -4.281 -7.521 1.147) 8.729 12.353 ( -1.342 -2.281 -0.533) 2.700 12.376 ( -6.406 4.086 1.908) 7.835 12.471 ( 0.884 -3.151 -1.086) 3.448 12.636 ( -0.948 6.658 0.976) 6.795 12.716 ( -6.022 -3.808 -0.706) 7.160 12.759 ( -5.534 -8.507 -1.258) 10.226 12.771 ( -3.897 2.153 -2.057) 4.904 12.857 ( -1.220 2.432 1.887) 3.311 12.948 ( -3.417 0.826 3.951) 5.289 12.959 ( -2.933 -0.974 1.196) 3.314 13.021 ( -2.057 1.466 0.276) 2.541 13.064 ( -1.406 3.005 2.907) 4.411 13.125 ( -1.646 -3.769 -3.647) 5.497 13.186 ( -0.293 1.420 -1.369) 1.994 13.269 ( 3.214 -0.598 2.110) 3.891 13.311 ( -1.705 -1.992 -0.067) 2.623 13.366 ( 4.192 -1.398 -1.620) 4.706 13.410 ( -4.906 0.667 -0.179) 4.955 13.452 ( -8.692 2.160 1.012) 9.013 13.517 ( -7.660 -0.925 -1.711) 7.903 13.558 ( 2.567 1.504 0.594) 3.034 13.581 ( 0.000 3.290 -3.689) 4.943 13.786 ( 1.067 3.093 0.067) 3.272 13.871 ( 4.831 -4.235 1.908) 6.701 13.967 ( -0.608 -7.699 5.323) 9.380 14.009 ( -3.199 3.133 5.407) 7.020 14.024 ( 1.297 -7.770 0.139) 7.879 14.220 ( 0.161 -1.604 3.181) 3.566 14.293 ( 2.558 0.770 2.746) 3.831 14.389 ( 9.168 -1.635 0.975) 9.363 14.464 ( -2.458 4.010 -0.897) 4.789 14.540 ( 2.436 1.079 0.134) 2.667 14.848 ( 3.324 -0.163 -3.823) 5.069 14.911 ( 4.870 -0.996 -1.929) 5.332 15.013 ( 4.155 2.048 0.329) 4.644 15.083 ( 3.150 -2.368 -1.621) 4.261 15.197 ( -5.203 0.532 -1.201) 5.366 15.273 ( -2.997 -2.954 3.732) 5.625 15.333 ( -0.781 4.791 -2.640) 5.526 15.486 ( -2.658 -0.103 0.407) 2.691 15.668 ( -1.738 0.585 5.701) 5.989 15.813 ( -3.566 -0.982 -0.710) 3.766 15.992 ( -0.566 3.884 0.745) 3.996 16.044 ( 1.899 -0.602 1.662) 2.595 16.164 ( 2.483 -1.865 -3.612) 4.763 16.240 ( 4.468 0.252 -2.660) 5.206 16.312 ( 1.133 2.342 -2.145) 3.372 16.349 ( 0.693 0.199 -1.170) 1.374 16.426 ( 2.701 1.109 3.723) 4.732 16.496 ( -4.051 -1.151 -7.475) 8.580 16.668 ( 0.887 -0.385 3.474) 3.606 16.731 ( 2.440 -1.605 7.384) 7.941 17.053 ( 1.278 2.079 0.106) 2.442 17.140 ( 2.920 -1.074 1.681) 3.536 17.314 ( 4.865 -0.652 1.022) 5.014 17.367 ( -1.202 -3.331 13.059) 13.531 17.595 ( 3.597 0.281 -3.639) 5.124 17.668 ( 4.102 -3.919 -3.317) 6.571 18.032 ( -10.952 7.429 3.895) 13.795 18.139 ( -2.454 0.456 -6.090) 6.582 18.466 ( 2.020 0.890 0.020) 2.207 18.509 ( 2.038 -0.351 -2.058) 2.917 19.666 ( 1.585 5.749 0.352) 5.974 19.972 ( -4.144 -7.717 -6.191) 10.726 20.593 ( 7.216 3.146 -0.840) 7.917 20.624 ( 2.680 0.364 -3.196) 4.187 20.648 ( 2.968 -0.784 -0.814) 3.176 20.835 ( 4.007 -9.992 -2.856) 11.138 21.059 ( 2.905 4.850 -5.792) 8.093 21.275 ( -4.411 2.685 -0.505) 5.188 21.329 ( -0.244 -4.539 0.584) 4.583 21.397 ( -5.160 -1.178 6.772) 8.595 21.811 ( -5.676 -1.014 3.050) 6.523 21.898 ( -7.156 -4.411 0.069) 8.406 22.211 ( -2.866 4.981 0.033) 5.747 22.392 ( -3.021 -3.122 0.558) 4.380 22.427 ( -7.527 12.504 -4.022) 15.139 22.726 ( -8.593 -3.876 -4.755) 10.558 25.057 ( 1.737 0.398 5.236) 5.531 25.090 ( -0.396 -1.211 8.392) 8.488 25.419 ( -2.231 1.443 -1.418) 3.012 25.479 ( -2.945 -1.263 -1.056) 3.373 28.965 ( 1.256 0.576 1.838) 2.300 29.000 ( 0.006 -1.150 3.422) 3.610 29.123 ( -0.609 1.199 -1.376) 1.924 29.166 ( -1.596 -0.853 -0.976) 2.056 29.691 ( 8.682 0.502 3.649) 9.431 29.710 ( 10.011 -0.334 3.872) 10.739 30.048 ( 7.595 2.791 -3.044) 8.645 30.241 ( 6.785 -6.559 -8.222) 12.517 34.375 ( -2.037 2.308 0.126) 3.081 34.445 ( -2.804 -1.072 -0.694) 3.081 34.466 ( -2.408 0.297 -0.919) 2.594 34.482 ( -1.918 -0.377 -1.612) 2.534 97.655 ( 1.200 0.437 2.994) 3.255 97.681 ( 0.179 -0.821 4.086) 4.171 97.894 ( -1.707 0.096 -0.729) 1.858 97.896 ( -1.648 -0.024 -1.170) 2.022 99.946 ( -1.043 5.765 0.509) 5.881 100.141 ( -2.833 -3.877 -2.257) 5.306 100.286 ( -2.580 1.130 -2.457) 3.737 100.311 ( -5.186 0.405 -2.086) 5.604 ======================= Grid point 69 (28/72) ======================= q-point: ( 0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 36.610 16.329 10.552) 41.452 2.908 ( 38.382 11.092 16.159) 43.097 3.560 ( 28.266 -22.087 13.275) 38.250 3.689 ( 24.149 -27.506 4.128) 36.835 4.340 ( 9.998 7.120 -13.455) 18.213 4.393 ( 23.489 18.311 5.716) 30.327 4.532 ( 9.402 3.298 -11.132) 14.940 4.579 ( 13.346 9.512 -5.973) 17.444 4.760 ( 29.358 7.891 3.393) 30.589 4.790 ( 13.783 11.021 3.463) 17.985 4.801 ( 5.228 -2.301 -8.342) 10.110 4.954 ( 2.474 -3.422 -1.548) 4.498 5.101 ( -1.626 -4.851 7.626) 9.183 5.183 ( -7.057 -1.171 6.274) 9.515 5.253 ( -1.386 -5.754 5.134) 7.835 5.289 ( -1.271 -3.017 3.990) 5.161 5.348 ( -8.205 -2.044 7.042) 11.004 5.457 ( 7.473 -11.867 2.805) 14.302 5.530 ( -6.844 2.362 7.018) 10.083 5.643 ( 2.617 0.515 1.179) 2.916 5.704 ( 0.194 -5.211 8.865) 10.285 5.818 ( -3.051 -2.412 1.146) 4.055 5.906 ( -2.774 1.848 6.485) 7.291 5.948 ( -1.003 2.399 -1.747) 3.133 6.052 ( 2.063 5.207 -2.773) 6.250 6.089 ( -6.052 -4.175 0.797) 7.395 6.129 ( -2.595 -6.399 2.218) 7.253 6.246 ( -5.241 1.902 1.260) 5.716 6.287 ( -2.613 6.536 6.659) 9.689 6.342 ( -0.723 1.736 9.862) 10.039 6.413 ( 1.488 2.159 6.756) 7.247 6.457 ( 0.889 -5.593 5.539) 7.922 6.519 ( -1.339 -1.311 4.419) 4.800 6.599 ( -6.980 -6.543 4.095) 10.407 6.642 ( 10.339 -3.231 6.605) 12.687 6.731 ( -7.801 -7.878 6.646) 12.927 6.862 ( -1.712 1.693 0.521) 2.464 6.961 ( -6.483 3.556 -3.021) 7.988 7.012 ( -12.605 -0.302 -1.661) 12.717 7.034 ( -5.888 5.176 -4.559) 9.069 7.269 ( -5.583 -5.422 1.460) 7.918 7.381 ( -6.065 2.573 0.227) 6.592 7.407 ( -8.221 5.490 0.391) 9.894 7.521 ( -4.713 -2.812 -1.781) 5.770 7.684 ( -6.015 0.390 -8.839) 10.699 7.707 ( -8.632 0.742 -12.943) 15.575 7.881 ( -7.727 11.988 -8.147) 16.425 7.940 ( -7.284 5.727 -3.534) 9.917 7.992 ( -3.058 8.132 2.797) 9.127 8.083 ( -9.680 1.046 -8.219) 12.742 8.223 ( -4.848 -2.720 1.186) 5.684 8.319 ( -15.785 -2.886 -1.758) 16.143 8.369 ( -7.279 -1.670 -4.893) 8.929 8.514 ( 1.552 2.851 -13.872) 14.247 8.679 ( -0.831 -5.571 -3.531) 6.648 8.706 ( -0.051 -10.482 -4.326) 11.340 8.827 ( 11.916 7.702 -4.073) 14.762 8.921 ( 4.692 0.241 -7.087) 8.503 9.021 ( 2.717 1.023 -6.852) 7.441 9.035 ( 2.584 -5.406 -10.255) 11.877 9.109 ( 7.723 -1.692 -2.858) 8.407 9.143 ( -2.966 -6.428 -0.786) 7.123 9.258 ( 6.525 1.807 -1.056) 6.852 9.353 ( -1.967 0.368 0.236) 2.015 9.422 ( -2.517 3.034 -4.309) 5.840 9.534 ( 4.911 -0.265 -2.215) 5.394 9.628 ( -0.313 2.793 -4.924) 5.669 9.657 ( -1.453 4.383 -0.629) 4.660 9.729 ( 0.074 2.863 2.052) 3.523 9.831 ( -1.820 0.643 -2.817) 3.415 9.890 ( 1.610 -3.891 -4.010) 5.815 9.946 ( -2.877 -0.023 -0.487) 2.918 10.006 ( 0.384 -4.602 -2.819) 5.410 10.048 ( -7.332 1.131 -0.515) 7.436 10.089 ( -9.297 2.557 0.907) 9.685 10.173 ( -0.084 2.184 -5.103) 5.551 10.222 ( -1.172 0.285 -5.807) 5.931 10.248 ( -2.692 -2.111 3.299) 4.753 10.273 ( -1.638 -1.345 -1.854) 2.816 10.330 ( -8.433 -2.152 0.410) 8.713 10.343 ( 2.033 -0.063 -6.349) 6.667 10.393 ( -1.581 -1.112 -1.086) 2.217 10.768 ( 1.886 3.787 4.596) 6.247 10.841 ( 0.933 0.449 1.707) 1.997 10.902 ( -1.393 2.200 0.442) 2.641 10.933 ( -4.570 1.404 5.878) 7.576 10.988 ( 1.304 0.609 7.061) 7.206 11.129 ( -1.465 -8.710 1.916) 9.037 11.241 ( -0.612 -0.711 1.683) 1.927 11.263 ( 1.605 -1.646 -3.546) 4.226 11.381 ( 1.177 -0.115 1.064) 1.590 11.435 ( 3.163 -1.649 5.067) 6.196 11.471 ( -0.456 2.125 -3.697) 4.288 11.490 ( -0.430 0.542 -4.290) 4.345 11.524 ( 6.922 0.879 3.584) 7.844 11.635 ( -2.546 -0.098 2.420) 3.514 11.720 ( -0.552 3.571 4.217) 5.553 11.762 ( -3.511 -3.044 -2.765) 5.407 11.811 ( 1.138 6.159 2.714) 6.826 11.844 ( 0.128 -0.025 -2.345) 2.348 11.933 ( 0.053 1.954 -1.388) 2.397 11.968 ( 0.624 3.554 0.045) 3.609 12.028 ( 0.367 3.000 1.203) 3.253 12.042 ( -1.681 1.565 1.092) 2.544 12.120 ( -2.854 -4.327 -2.511) 5.760 12.154 ( -1.502 -1.984 -3.752) 4.502 12.228 ( -1.969 1.250 2.638) 3.521 12.276 ( -0.394 -0.209 3.914) 3.939 12.353 ( 3.783 -4.150 5.353) 7.758 12.391 ( 2.886 -5.146 0.387) 5.913 12.519 ( -1.908 -8.345 1.695) 8.727 12.574 ( 0.460 -6.215 1.642) 6.445 12.621 ( -1.774 2.729 -3.564) 4.827 12.726 ( -1.073 8.154 -3.642) 8.995 12.782 ( 3.255 -4.143 0.595) 5.302 12.829 ( -2.904 7.908 1.234) 8.514 12.867 ( 1.001 5.057 0.971) 5.245 12.946 ( -0.797 -2.021 2.359) 3.207 12.985 ( -2.498 1.577 0.216) 2.962 13.033 ( -5.351 1.592 2.152) 5.983 13.054 ( -0.361 1.605 2.075) 2.648 13.103 ( -4.566 -0.390 0.687) 4.634 13.162 ( -7.484 2.278 -2.868) 8.332 13.253 ( -0.901 -3.264 -4.128) 5.339 13.322 ( -1.467 -0.399 3.514) 3.829 13.375 ( 2.397 -0.729 0.827) 2.638 13.468 ( 2.250 0.373 -1.909) 2.974 13.524 ( 2.113 0.960 -1.342) 2.681 13.617 ( 2.769 2.783 -2.257) 4.529 13.702 ( 9.461 -4.249 3.622) 10.985 13.838 ( 3.959 -0.190 1.357) 4.189 13.894 ( -2.705 1.916 6.750) 7.520 13.933 ( 1.171 -6.641 2.638) 7.241 14.019 ( 0.262 -3.149 3.491) 4.709 14.082 ( 4.935 -0.750 3.801) 6.275 14.202 ( -0.525 -5.517 4.279) 7.002 14.373 ( 5.354 6.765 1.457) 8.749 14.419 ( 0.317 7.800 0.407) 7.817 14.528 ( 3.411 -1.756 1.335) 4.062 14.585 ( 0.831 -0.439 -0.576) 1.103 14.842 ( -3.820 -0.922 -4.753) 6.167 14.925 ( -3.480 -3.126 -0.140) 4.680 15.026 ( -5.014 1.659 3.456) 6.311 15.053 ( -1.428 0.463 0.590) 1.613 15.142 ( 0.086 -2.021 0.179) 2.030 15.173 ( -6.849 -2.968 4.270) 8.600 15.341 ( -0.094 6.178 -4.514) 7.651 15.541 ( 4.321 -3.774 -1.825) 6.021 15.660 ( -0.045 2.445 4.662) 5.264 15.732 ( -1.363 1.758 6.601) 6.966 15.955 ( -3.169 0.751 -0.804) 3.354 16.080 ( -0.610 -3.268 -0.333) 3.341 16.208 ( -2.783 -0.882 -3.055) 4.226 16.232 ( 1.176 -2.429 -5.268) 5.919 16.336 ( 1.504 1.566 -1.815) 2.829 16.360 ( 3.545 2.124 -2.944) 5.074 16.481 ( 3.213 -1.376 2.272) 4.169 16.514 ( 3.637 1.237 0.352) 3.858 16.663 ( -1.093 2.055 4.221) 4.820 16.763 ( 0.768 -1.326 8.102) 8.246 17.095 ( 2.949 2.610 -1.095) 4.088 17.205 ( 3.373 -1.085 2.331) 4.241 17.334 ( -1.465 -1.111 6.714) 6.961 17.363 ( 0.189 -5.071 1.937) 5.432 17.628 ( -0.081 2.448 -3.081) 3.936 17.765 ( -0.147 -3.256 -1.402) 3.548 17.937 ( 4.189 7.942 -5.273) 10.413 18.141 ( 2.010 -2.264 -8.196) 8.737 18.509 ( 2.241 0.347 -0.608) 2.347 18.549 ( 1.898 -0.823 -2.504) 3.248 19.693 ( 1.533 4.590 -0.075) 4.840 19.893 ( -3.715 -4.127 -4.342) 7.049 20.679 ( 3.145 0.442 -2.568) 4.084 20.697 ( 4.308 1.223 -1.294) 4.661 20.717 ( 3.411 -1.301 0.545) 3.691 20.836 ( -1.783 -5.806 -1.199) 6.191 21.107 ( 0.792 5.268 -2.261) 5.787 21.161 ( -6.240 4.135 -0.815) 7.530 21.284 ( -5.749 -1.244 6.514) 8.776 21.349 ( 0.386 -4.648 3.866) 6.058 21.735 ( -2.769 -2.669 -0.150) 3.848 21.773 ( -4.622 -3.129 -1.085) 5.686 22.155 ( -2.681 4.708 -0.478) 5.439 22.283 ( -6.265 7.156 -3.265) 10.056 22.352 ( -1.980 -1.011 0.456) 2.270 22.565 ( -7.685 -4.101 -3.491) 9.384 25.100 ( 2.679 0.196 4.105) 4.905 25.112 ( 2.373 -0.361 4.635) 5.219 25.367 ( -3.076 1.058 -0.892) 3.373 25.412 ( -3.856 -0.959 -0.882) 4.071 28.993 ( 1.660 0.320 1.275) 2.117 29.011 ( 0.927 -0.461 1.821) 2.095 29.109 ( -0.888 0.583 -1.186) 1.592 29.133 ( -1.847 -0.506 -1.042) 2.180 29.869 ( 9.361 0.881 2.835) 9.821 29.914 ( 10.601 -1.193 2.970) 11.074 30.167 ( 4.381 3.188 -2.450) 5.946 30.324 ( 2.136 -3.985 -5.102) 6.817 34.342 ( -1.370 1.468 0.295) 2.029 34.397 ( -2.030 -1.023 -0.447) 2.316 34.416 ( -2.698 0.493 -0.670) 2.823 34.440 ( -2.278 -0.569 -1.311) 2.689 97.684 ( 1.781 0.294 2.124) 2.788 97.698 ( 1.450 -0.351 2.356) 2.788 97.856 ( -2.126 0.104 -0.622) 2.218 97.860 ( -2.064 -0.075 -0.824) 2.224 99.948 ( 1.093 3.185 0.854) 3.474 100.093 ( -1.881 -3.891 -1.123) 4.465 100.216 ( -4.466 1.191 -1.306) 4.803 100.221 ( -4.002 0.464 -1.648) 4.352 ======================= Grid point 70 (29/72) ======================= q-point: ( 0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.492 ( 35.245 10.090 6.852) 37.296 3.623 ( 35.278 7.952 13.850) 38.724 4.076 ( 22.919 -17.562 7.537) 29.841 4.150 ( 23.660 -16.627 6.142) 29.563 4.504 ( 3.256 3.905 -5.053) 7.168 4.584 ( -2.911 3.703 -2.255) 5.222 4.672 ( 6.405 3.237 -3.034) 7.791 4.757 ( -2.605 8.619 8.789) 12.583 4.761 ( -6.013 6.696 9.665) 13.206 4.879 ( 2.921 1.997 0.047) 3.539 4.979 ( -5.074 -1.562 1.270) 5.459 4.995 ( -6.514 -2.294 6.687) 9.613 5.033 ( -1.697 -0.977 3.645) 4.138 5.174 ( -3.512 1.428 4.760) 6.085 5.207 ( 0.909 -8.823 2.224) 9.144 5.273 ( 8.194 -3.281 0.131) 8.828 5.354 ( -0.194 3.956 0.324) 3.974 5.479 ( 3.266 2.533 1.910) 4.553 5.526 ( -1.692 0.557 1.111) 2.100 5.613 ( -1.760 -0.539 3.952) 4.360 5.698 ( -0.292 1.674 -1.700) 2.404 5.771 ( -4.712 0.896 2.381) 5.355 5.827 ( -2.453 2.767 -3.516) 5.102 5.898 ( -3.073 -3.975 5.639) 7.552 6.006 ( -0.108 1.632 -4.229) 4.534 6.061 ( 3.005 -1.598 -1.097) 3.575 6.146 ( 3.291 -0.757 -3.575) 4.918 6.194 ( -4.010 0.383 5.874) 7.122 6.270 ( 4.356 -3.287 1.377) 5.628 6.333 ( -7.984 -10.364 -0.802) 13.107 6.408 ( 3.990 -0.093 4.067) 5.699 6.471 ( -7.040 -0.931 -1.552) 7.269 6.496 ( 1.511 7.922 3.184) 8.671 6.574 ( -0.501 -3.941 6.743) 7.826 6.611 ( -3.115 -0.292 -0.958) 3.272 6.769 ( -2.251 2.358 -0.801) 3.357 6.825 ( 0.453 1.999 4.628) 5.061 6.838 ( -1.658 -2.445 3.029) 4.231 6.959 ( 12.397 6.491 1.962) 14.130 7.088 ( -4.639 4.914 6.996) 9.727 7.155 ( 3.607 -3.685 0.053) 5.157 7.258 ( -7.092 0.093 -2.901) 7.663 7.349 ( -3.446 1.881 6.627) 7.702 7.425 ( -2.848 -1.720 -1.465) 3.635 7.471 ( -12.753 2.067 -4.687) 13.744 7.625 ( -3.116 -3.180 -8.902) 9.953 7.716 ( -9.037 -2.454 -4.485) 10.383 7.789 ( -0.864 -0.576 3.249) 3.411 7.863 ( -0.420 9.798 -1.947) 9.999 8.043 ( -0.536 -4.491 -2.686) 5.260 8.060 ( -2.352 -4.974 0.796) 5.560 8.256 ( -1.457 -3.447 1.198) 3.929 8.297 ( 7.212 6.848 1.571) 10.069 8.592 ( 0.548 -5.226 -11.962) 13.066 8.651 ( -2.635 -5.589 -2.189) 6.555 8.736 ( -2.029 -3.058 -8.597) 9.348 8.882 ( -8.320 0.944 -1.651) 8.535 8.921 ( -2.662 -0.951 -12.851) 13.158 8.989 ( -3.004 -0.388 -2.775) 4.108 9.097 ( 0.759 2.495 -2.396) 3.541 9.181 ( 6.688 -1.724 -6.377) 9.400 9.233 ( 2.080 1.872 -8.067) 8.538 9.288 ( -1.147 1.541 1.706) 2.569 9.307 ( 1.569 0.578 3.956) 4.295 9.475 ( -5.615 7.667 -2.773) 9.899 9.499 ( 2.370 6.210 -10.422) 12.361 9.580 ( -1.074 -0.531 -1.393) 1.838 9.695 ( 4.021 -0.880 2.382) 4.756 9.759 ( 1.406 1.805 -1.379) 2.671 9.808 ( -2.349 2.656 0.286) 3.557 9.834 ( -2.291 -0.078 -1.748) 2.883 9.892 ( -5.612 -0.688 -0.880) 5.722 9.917 ( -1.815 0.975 -0.972) 2.279 9.944 ( -4.813 1.811 0.190) 5.146 10.033 ( 0.395 3.940 -3.011) 4.974 10.108 ( -4.319 1.008 -0.432) 4.456 10.183 ( -2.046 -0.300 -3.347) 3.934 10.220 ( 0.099 -3.329 -1.525) 3.663 10.281 ( 3.163 -3.131 -4.296) 6.186 10.321 ( 5.123 -4.301 -3.680) 7.635 10.386 ( 1.289 0.548 -5.752) 5.920 10.417 ( 1.870 -2.516 -4.076) 5.142 10.719 ( -6.001 0.584 2.307) 6.456 10.810 ( -7.149 1.554 1.709) 7.513 10.869 ( 2.232 0.358 2.593) 3.440 10.918 ( 3.808 1.152 -0.322) 3.991 11.005 ( -1.111 -3.389 4.382) 5.650 11.061 ( -3.715 -5.640 8.457) 10.823 11.234 ( -1.768 -1.061 -3.281) 3.875 11.243 ( -3.240 -0.514 -2.219) 3.961 11.329 ( -2.294 2.003 -4.731) 5.626 11.370 ( -3.444 -0.251 -4.597) 5.749 11.432 ( -2.482 1.308 0.384) 2.832 11.509 ( -1.929 -0.724 -2.542) 3.272 11.647 ( 2.614 -1.501 1.872) 3.548 11.682 ( 4.864 -1.809 1.145) 5.314 11.684 ( -2.251 1.261 4.001) 4.760 11.774 ( 6.649 -2.469 4.743) 8.532 11.798 ( -1.384 2.268 0.063) 2.657 11.875 ( 3.169 -1.268 -3.024) 4.560 11.921 ( -4.792 1.796 2.351) 5.632 11.932 ( -5.360 0.502 2.163) 5.802 12.016 ( 1.596 4.208 -0.185) 4.504 12.044 ( 0.545 3.790 2.512) 4.580 12.079 ( 0.631 1.848 -2.824) 3.434 12.139 ( -1.288 0.545 -4.147) 4.377 12.173 ( 0.094 2.762 -4.027) 4.884 12.276 ( -2.957 0.456 0.762) 3.088 12.382 ( 1.838 -3.934 1.651) 4.646 12.439 ( 1.900 -7.214 -3.423) 8.208 12.492 ( 1.435 -6.118 -2.062) 6.614 12.572 ( 0.515 -5.089 -3.627) 6.270 12.630 ( 0.404 -0.287 -1.293) 1.385 12.700 ( -1.558 -0.815 0.668) 1.881 12.769 ( -5.956 0.965 1.960) 6.344 12.795 ( -1.664 0.473 0.678) 1.858 12.852 ( -0.772 6.168 -0.142) 6.217 12.916 ( -0.913 6.312 2.259) 6.766 12.956 ( -2.796 0.826 -1.799) 3.425 12.993 ( 1.240 0.721 -1.941) 2.414 13.057 ( -1.723 2.279 -1.679) 3.314 13.124 ( 5.568 -1.188 5.759) 8.098 13.155 ( 1.216 -0.714 3.811) 4.063 13.181 ( -0.624 -1.490 3.044) 3.446 13.337 ( 0.670 -0.624 7.478) 7.534 13.398 ( -1.726 -1.305 9.060) 9.315 13.500 ( 4.090 2.486 -2.365) 5.339 13.593 ( 3.214 2.190 -2.722) 4.747 13.681 ( 4.583 3.613 -2.697) 6.429 13.813 ( 1.726 -3.936 1.889) 4.695 13.845 ( -2.755 4.833 4.047) 6.879 13.929 ( -0.362 -3.368 -0.762) 3.472 13.969 ( 7.014 -5.004 5.573) 10.261 14.064 ( 3.549 -0.546 4.512) 5.766 14.150 ( 3.931 2.020 4.267) 6.143 14.244 ( 4.496 -3.585 0.884) 5.818 14.469 ( -0.821 -0.807 -0.241) 1.176 14.488 ( 0.507 3.188 1.428) 3.530 14.506 ( 1.939 -0.558 -0.147) 2.023 14.570 ( 1.329 0.344 -0.437) 1.440 14.800 ( -0.014 0.551 0.844) 1.008 14.829 ( -4.506 -0.186 3.475) 5.694 14.890 ( -6.423 0.782 4.771) 8.039 14.958 ( -9.268 -1.920 7.169) 11.873 15.100 ( -1.131 -0.727 0.527) 1.444 15.154 ( -0.769 -1.225 1.533) 2.108 15.323 ( 0.004 6.113 -2.178) 6.490 15.480 ( -6.753 -0.057 -4.009) 7.853 15.727 ( 4.924 0.278 1.349) 5.113 15.781 ( 3.363 -0.840 5.000) 6.084 15.884 ( -3.362 -2.374 -2.393) 4.760 15.975 ( -6.893 -5.281 -1.855) 8.880 16.207 ( 2.477 3.657 -0.694) 4.471 16.278 ( 0.185 1.554 -0.753) 1.736 16.373 ( 3.122 -0.576 -2.984) 4.357 16.415 ( 1.471 -1.686 -0.156) 2.243 16.551 ( 3.457 0.283 -1.659) 3.845 16.600 ( 4.729 -1.658 1.509) 5.233 16.640 ( -0.885 3.920 5.116) 6.506 16.755 ( -1.674 -1.133 7.333) 7.607 17.160 ( 3.505 2.346 0.538) 4.252 17.259 ( 1.465 -1.367 2.783) 3.430 17.298 ( -1.230 0.325 3.550) 3.771 17.361 ( -0.417 -3.740 -1.684) 4.123 17.613 ( -0.823 2.410 -1.296) 2.857 17.691 ( -4.513 0.022 -0.064) 4.513 18.086 ( 7.379 2.435 -9.460) 12.242 18.184 ( 1.641 -1.389 -9.503) 9.743 18.548 ( 1.766 -0.187 -1.193) 2.139 18.575 ( 0.697 -0.982 -2.445) 2.726 19.730 ( 2.276 3.108 -0.908) 3.958 19.830 ( -2.868 -1.265 -3.125) 4.427 20.723 ( 1.299 -1.433 -1.783) 2.631 20.759 ( 0.307 -2.052 -1.375) 2.489 20.795 ( 5.443 0.202 0.214) 5.451 20.827 ( 2.675 -1.361 1.459) 3.337 21.039 ( -6.171 2.973 -0.530) 6.870 21.058 ( -5.816 2.599 2.358) 6.792 21.219 ( -0.378 0.575 2.280) 2.382 21.319 ( -3.354 -3.100 3.229) 5.593 21.698 ( -0.224 -1.495 -0.988) 1.806 21.733 ( -0.826 -3.282 -0.850) 3.490 22.118 ( -0.940 4.730 -0.839) 4.895 22.181 ( -4.186 6.039 -2.254) 7.686 22.333 ( 0.069 -2.202 -0.367) 2.233 22.438 ( -5.398 -3.681 -2.315) 6.932 25.160 ( 3.436 0.259 2.655) 4.350 25.172 ( 3.657 -0.297 2.413) 4.391 25.302 ( -3.627 0.717 0.007) 3.698 25.333 ( -4.301 -0.662 -0.195) 4.356 29.027 ( 1.783 0.130 0.605) 1.887 29.033 ( 1.387 -0.153 0.603) 1.521 29.088 ( -1.230 0.186 -0.754) 1.454 29.097 ( -1.850 -0.196 -0.796) 2.023 30.036 ( 7.502 1.107 1.658) 7.762 30.099 ( 7.791 -2.122 1.391) 8.194 30.215 ( 0.972 3.106 -0.998) 3.404 30.329 ( -1.581 -2.379 -2.397) 3.729 34.326 ( -0.257 1.074 0.175) 1.118 34.366 ( -2.059 0.366 -0.444) 2.138 34.372 ( -0.799 -0.615 -0.422) 1.093 34.399 ( -1.832 -0.710 -0.991) 2.201 97.723 ( 2.184 0.222 1.263) 2.533 97.733 ( 2.036 -0.231 1.216) 2.383 97.813 ( -2.342 0.129 -0.193) 2.353 97.818 ( -2.245 -0.116 -0.302) 2.269 99.984 ( 2.496 1.778 0.546) 3.113 100.071 ( -0.625 -2.364 -0.584) 2.514 100.137 ( -3.733 0.549 -0.662) 3.831 100.147 ( -3.211 0.279 -1.264) 3.462 ======================= Grid point 71 (30/72) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.095 ( -21.817 3.439 1.893) 22.167 4.095 ( 21.817 3.439 1.893) 22.167 4.260 ( -24.005 5.888 12.036) 27.492 4.260 ( 24.005 5.888 12.036) 27.492 4.532 ( -10.012 -3.523 4.572) 11.557 4.532 ( 10.012 -3.523 4.572) 11.557 4.592 ( -15.744 -6.602 8.961) 19.281 4.592 ( 15.744 -6.602 8.961) 19.281 4.844 ( -7.977 2.503 3.142) 8.932 4.844 ( 7.977 2.503 3.142) 8.932 4.943 ( -2.013 -3.781 2.521) 4.970 4.943 ( 2.013 -3.781 2.521) 4.970 5.014 ( -4.294 -2.280 4.962) 6.947 5.014 ( 4.294 -2.280 4.962) 6.947 5.381 ( -4.389 2.400 -3.565) 6.143 5.381 ( 4.389 2.400 -3.565) 6.143 5.408 ( -7.022 -1.615 0.077) 7.206 5.408 ( 7.022 -1.615 0.077) 7.206 5.493 ( -4.660 3.543 3.893) 7.030 5.493 ( 4.660 3.543 3.893) 7.030 5.717 ( -2.721 3.012 -0.495) 4.089 5.717 ( 2.721 3.012 -0.495) 4.089 5.854 ( -3.968 -1.504 -6.150) 7.472 5.854 ( 3.968 -1.504 -6.150) 7.472 6.054 ( -4.664 -0.734 2.310) 5.256 6.054 ( 4.664 -0.734 2.310) 5.256 6.188 ( -2.771 -1.676 1.471) 3.557 6.188 ( 2.771 -1.676 1.471) 3.557 6.285 ( -7.662 -1.227 -6.596) 10.184 6.285 ( 7.662 -1.227 -6.596) 10.184 6.376 ( -6.880 -3.373 -4.753) 9.017 6.376 ( 6.880 -3.373 -4.753) 9.017 6.523 ( -3.600 1.879 -1.801) 4.442 6.523 ( 3.600 1.879 -1.801) 4.442 6.661 ( -6.736 5.494 10.119) 13.340 6.661 ( 6.736 5.494 10.119) 13.340 6.937 ( -3.193 -5.966 8.907) 11.185 6.937 ( 3.193 -5.966 8.907) 11.185 6.989 ( -7.653 1.666 1.415) 7.959 6.989 ( 7.653 1.666 1.415) 7.959 7.163 ( -1.561 0.753 2.481) 3.027 7.163 ( 1.561 0.753 2.481) 3.027 7.325 ( -3.390 6.735 -2.776) 8.035 7.325 ( 3.390 6.735 -2.776) 8.035 7.515 ( -6.134 -3.085 -4.485) 8.201 7.515 ( 6.134 -3.085 -4.485) 8.201 7.688 ( -8.218 8.361 5.468) 12.936 7.688 ( 8.218 8.361 5.468) 12.936 8.051 ( -2.989 -7.627 -3.650) 8.968 8.051 ( 2.989 -7.627 -3.650) 8.968 8.161 ( -11.240 -6.732 -1.017) 13.141 8.161 ( 11.240 -6.732 -1.017) 13.141 8.451 ( -4.940 4.434 -1.109) 6.731 8.451 ( 4.940 4.434 -1.109) 6.731 8.633 ( -2.429 -6.270 -2.984) 7.356 8.633 ( 2.429 -6.270 -2.984) 7.356 8.861 ( -1.336 -4.352 -6.352) 7.815 8.861 ( 1.336 -4.352 -6.352) 7.815 8.955 ( -3.419 0.941 -7.954) 8.709 8.955 ( 3.419 0.941 -7.954) 8.709 9.263 ( -1.128 1.943 3.410) 4.083 9.263 ( 1.128 1.943 3.410) 4.083 9.326 ( -5.081 5.912 -4.939) 9.228 9.326 ( 5.081 5.912 -4.939) 9.228 9.468 ( -7.344 -0.353 -4.252) 8.493 9.468 ( 7.344 -0.353 -4.252) 8.493 9.665 ( -7.581 4.295 -0.140) 8.714 9.665 ( 7.581 4.295 -0.140) 8.714 9.766 ( -2.059 0.332 -0.690) 2.196 9.766 ( 2.059 0.332 -0.690) 2.196 9.828 ( -3.621 -2.136 2.103) 4.700 9.828 ( 3.621 -2.136 2.103) 4.700 9.892 ( -0.604 3.460 -3.460) 4.930 9.892 ( 0.604 3.460 -3.460) 4.930 10.077 ( -2.678 6.682 -5.822) 9.258 10.077 ( 2.678 6.682 -5.822) 9.258 10.180 ( -3.793 -0.165 0.984) 3.922 10.180 ( 3.793 -0.165 0.984) 3.922 10.358 ( -2.771 -3.982 -9.391) 10.570 10.358 ( 2.771 -3.982 -9.391) 10.570 10.414 ( -2.092 -0.470 -0.501) 2.202 10.414 ( 2.092 -0.470 -0.501) 2.202 10.690 ( -4.008 -3.641 -2.627) 6.018 10.690 ( 4.008 -3.641 -2.627) 6.018 10.935 ( -4.130 -2.095 3.634) 5.887 10.935 ( 4.130 -2.095 3.634) 5.887 11.000 ( -3.561 -1.681 6.075) 7.240 11.000 ( 3.561 -1.681 6.075) 7.240 11.198 ( -0.192 -0.851 -2.807) 2.939 11.198 ( 0.192 -0.851 -2.807) 2.939 11.328 ( -1.604 0.034 -6.249) 6.451 11.328 ( 1.604 0.034 -6.249) 6.451 11.441 ( -3.279 -0.342 -0.904) 3.419 11.441 ( 3.279 -0.342 -0.904) 3.419 11.662 ( -0.647 2.543 3.143) 4.095 11.662 ( 0.647 2.543 3.143) 4.095 11.763 ( -1.711 -1.902 1.689) 3.065 11.763 ( 1.711 -1.902 1.689) 3.065 11.848 ( -1.239 1.822 -0.027) 2.204 11.848 ( 1.239 1.822 -0.027) 2.204 11.914 ( -3.477 -4.260 2.584) 6.076 11.914 ( 3.477 -4.260 2.584) 6.076 12.027 ( -2.305 3.742 -3.248) 5.465 12.027 ( 2.305 3.742 -3.248) 5.465 12.122 ( -2.343 2.580 -1.237) 3.698 12.122 ( 2.343 2.580 -1.237) 3.698 12.197 ( -3.101 4.076 -0.631) 5.160 12.197 ( 3.101 4.076 -0.631) 5.160 12.428 ( -2.094 -4.701 -4.209) 6.648 12.428 ( 2.094 -4.701 -4.209) 6.648 12.570 ( -2.914 -6.713 -5.224) 8.991 12.570 ( 2.914 -6.713 -5.224) 8.991 12.663 ( -3.960 -0.028 2.514) 4.691 12.663 ( 3.960 -0.028 2.514) 4.691 12.706 ( -3.425 -0.992 1.963) 4.070 12.706 ( 3.425 -0.992 1.963) 4.070 12.877 ( -2.470 3.987 -2.201) 5.181 12.877 ( 2.470 3.987 -2.201) 5.181 12.986 ( -6.127 2.910 -3.108) 7.461 12.986 ( 6.127 2.910 -3.108) 7.461 13.046 ( -2.585 0.739 1.475) 3.067 13.046 ( 2.585 0.739 1.475) 3.067 13.243 ( -3.070 -1.774 8.656) 9.354 13.243 ( 3.070 -1.774 8.656) 9.354 13.341 ( -2.886 -1.480 9.362) 9.908 13.341 ( 2.886 -1.480 9.362) 9.908 13.591 ( -3.505 3.794 -0.106) 5.166 13.591 ( 3.505 3.794 -0.106) 5.166 13.778 ( -4.327 4.062 1.203) 6.056 13.778 ( 4.327 4.062 1.203) 6.056 13.863 ( -4.367 -0.983 -0.119) 4.478 13.863 ( 4.367 -0.983 -0.119) 4.478 14.084 ( -2.570 -4.478 4.843) 7.079 14.084 ( 2.570 -4.478 4.843) 7.079 14.270 ( -5.045 1.448 0.452) 5.268 14.270 ( 5.045 1.448 0.452) 5.268 14.404 ( -2.414 -2.957 -3.606) 5.251 14.404 ( 2.414 -2.957 -3.606) 5.251 14.633 ( -4.288 -0.896 4.380) 6.195 14.633 ( 4.288 -0.896 4.380) 6.195 14.762 ( -3.404 1.726 4.993) 6.285 14.762 ( 3.404 1.726 4.993) 6.285 14.844 ( -2.744 0.908 4.682) 5.502 14.844 ( 2.744 0.908 4.682) 5.502 15.104 ( -2.629 -0.806 1.983) 3.390 15.104 ( 2.629 -0.806 1.983) 3.390 15.370 ( -4.313 3.031 -2.662) 5.906 15.370 ( 4.313 3.031 -2.662) 5.906 15.795 ( -2.000 -1.154 0.892) 2.476 15.795 ( 2.000 -1.154 0.892) 2.476 15.877 ( -2.975 -4.120 -1.705) 5.360 15.877 ( 2.975 -4.120 -1.705) 5.360 16.255 ( -2.120 3.407 0.085) 4.014 16.255 ( 2.120 3.407 0.085) 4.014 16.419 ( -1.107 -2.266 -1.094) 2.749 16.419 ( 1.107 -2.266 -1.094) 2.749 16.604 ( -1.991 1.585 -1.280) 2.849 16.604 ( 1.991 1.585 -1.280) 2.849 16.699 ( -4.060 -0.481 6.823) 7.954 16.699 ( 4.060 -0.481 6.823) 7.954 17.224 ( -3.089 0.238 3.304) 4.529 17.224 ( 3.089 0.238 3.304) 4.529 17.333 ( -2.587 -0.427 -1.549) 3.045 17.333 ( 2.587 -0.427 -1.549) 3.045 17.623 ( -2.176 0.655 -0.344) 2.298 17.623 ( 2.176 0.655 -0.344) 2.298 18.181 ( -2.370 0.293 -10.005) 10.286 18.181 ( 2.370 0.293 -10.005) 10.286 18.574 ( -0.789 -0.777 -1.869) 2.173 18.574 ( 0.789 -0.777 -1.869) 2.173 19.778 ( -2.612 1.170 -1.990) 3.486 19.778 ( 2.612 1.170 -1.990) 3.486 20.743 ( -1.031 -2.410 -1.348) 2.947 20.743 ( 1.031 -2.410 -1.348) 2.947 20.897 ( -1.839 0.054 2.076) 2.774 20.897 ( 1.839 0.054 2.076) 2.774 20.946 ( -1.921 2.219 0.656) 3.007 20.946 ( 1.921 2.219 0.656) 3.007 21.249 ( -3.098 -0.704 1.537) 3.530 21.249 ( 3.098 -0.704 1.537) 3.530 21.714 ( -1.245 -2.193 -0.553) 2.582 21.714 ( 1.245 -2.193 -0.553) 2.582 22.124 ( -1.646 5.197 -1.397) 5.627 22.124 ( 1.646 5.197 -1.397) 5.627 22.359 ( -2.731 -3.011 -1.298) 4.267 22.359 ( 2.731 -3.011 -1.298) 4.267 25.230 ( -3.713 0.427 1.171) 3.916 25.230 ( 3.713 0.427 1.171) 3.916 25.250 ( -4.204 -0.414 0.961) 4.332 25.250 ( 4.204 -0.414 0.961) 4.332 29.061 ( -0.296 -0.051 -0.135) 0.329 29.061 ( 0.296 -0.051 -0.135) 0.329 29.063 ( -0.135 0.037 -0.237) 0.276 29.063 ( 0.135 0.037 -0.237) 0.276 30.145 ( -3.224 0.479 0.279) 3.271 30.145 ( 3.224 0.479 0.279) 3.271 30.267 ( -4.467 -0.538 -0.218) 4.504 30.267 ( 4.467 -0.538 -0.218) 4.504 34.334 ( -1.110 0.842 -0.091) 1.396 34.334 ( 1.110 0.842 -0.091) 1.396 34.373 ( -0.772 -0.811 -0.684) 1.312 34.373 ( 0.772 -0.811 -0.684) 1.312 97.767 ( -2.271 0.150 0.459) 2.322 97.767 ( 2.271 0.150 0.459) 2.322 97.775 ( -2.150 -0.147 0.381) 2.188 97.775 ( 2.150 -0.147 0.381) 2.188 100.040 ( -2.995 0.647 0.014) 3.065 100.040 ( 2.995 0.647 0.014) 3.065 100.104 ( -0.931 -0.595 -0.827) 1.380 100.104 ( 0.931 -0.595 -0.827) 1.380 ======================= Grid point 77 (31/72) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 0.000 -28.211 21.292) 35.344 1.783 ( 0.000 28.211 21.292) 35.344 1.905 ( 0.000 -27.264 30.476) 40.891 1.905 ( 0.000 27.264 30.476) 40.891 3.134 ( 0.000 -68.127 24.860) 72.521 3.134 ( 0.000 68.127 24.860) 72.521 4.143 ( 0.000 -6.547 -26.488) 27.285 4.143 ( 0.000 6.547 -26.488) 27.285 4.344 ( 0.000 -26.828 5.048) 27.299 4.344 ( 0.000 26.828 5.048) 27.299 4.476 ( 0.000 -23.263 11.412) 25.911 4.476 ( 0.000 23.263 11.412) 25.911 4.610 ( 0.000 -6.802 -27.911) 28.727 4.610 ( 0.000 6.802 -27.911) 28.727 5.223 ( 0.000 -7.424 8.680) 11.422 5.223 ( 0.000 7.424 8.680) 11.422 5.598 ( 0.000 -0.047 9.074) 9.074 5.598 ( 0.000 0.047 9.074) 9.074 5.730 ( 0.000 -13.780 -17.244) 22.074 5.730 ( 0.000 13.780 -17.244) 22.074 5.818 ( 0.000 -16.858 -6.875) 18.206 5.818 ( 0.000 16.858 -6.875) 18.206 5.953 ( 0.000 -0.225 -0.787) 0.819 5.953 ( 0.000 0.225 -0.787) 0.819 6.109 ( 0.000 -7.433 8.719) 11.458 6.109 ( 0.000 7.433 8.719) 11.458 6.333 ( 0.000 -6.555 -0.109) 6.556 6.333 ( 0.000 6.555 -0.109) 6.556 6.443 ( 0.000 -0.682 8.984) 9.010 6.443 ( 0.000 0.682 8.984) 9.010 6.750 ( 0.000 -6.581 14.318) 15.758 6.750 ( 0.000 6.581 14.318) 15.758 6.803 ( 0.000 -4.464 1.993) 4.888 6.803 ( 0.000 4.464 1.993) 4.888 7.023 ( 0.000 -0.047 4.348) 4.349 7.023 ( 0.000 0.047 4.348) 4.349 7.155 ( 0.000 -4.160 5.416) 6.830 7.155 ( 0.000 4.160 5.416) 6.830 7.387 ( 0.000 -5.632 7.294) 9.215 7.387 ( 0.000 5.632 7.294) 9.215 7.434 ( 0.000 -0.367 -9.940) 9.947 7.434 ( 0.000 0.367 -9.940) 9.947 7.769 ( 0.000 -15.085 -9.054) 17.594 7.769 ( 0.000 15.085 -9.054) 17.594 7.833 ( 0.000 -7.781 -7.762) 10.991 7.833 ( 0.000 7.781 -7.762) 10.991 8.071 ( 0.000 -6.812 -0.734) 6.852 8.071 ( 0.000 6.812 -0.734) 6.852 8.216 ( 0.000 -5.795 4.679) 7.449 8.216 ( 0.000 5.795 4.679) 7.449 8.304 ( 0.000 -7.771 3.644) 8.583 8.304 ( 0.000 7.771 3.644) 8.583 8.355 ( 0.000 -1.066 -10.247) 10.302 8.355 ( 0.000 1.066 -10.247) 10.302 8.571 ( 0.000 -7.803 -8.395) 11.461 8.571 ( 0.000 7.803 -8.395) 11.461 8.900 ( 0.000 -6.111 -6.354) 8.816 8.900 ( 0.000 6.111 -6.354) 8.816 9.024 ( 0.000 -9.385 0.182) 9.386 9.024 ( 0.000 9.385 0.182) 9.386 9.332 ( 0.000 -6.301 -7.106) 9.497 9.332 ( 0.000 6.301 -7.106) 9.497 9.470 ( 0.000 -2.835 -14.355) 14.633 9.470 ( 0.000 2.835 -14.355) 14.633 9.555 ( 0.000 -1.694 1.989) 2.613 9.555 ( 0.000 1.694 1.989) 2.613 9.690 ( 0.000 -0.736 3.102) 3.188 9.690 ( 0.000 0.736 3.102) 3.188 9.735 ( 0.000 -1.853 -13.036) 13.167 9.735 ( 0.000 1.853 -13.036) 13.167 9.888 ( 0.000 -0.223 0.601) 0.641 9.888 ( 0.000 0.223 0.601) 0.641 10.065 ( 0.000 -2.829 -3.707) 4.664 10.065 ( 0.000 2.829 -3.707) 4.664 10.187 ( 0.000 -4.183 -2.082) 4.673 10.187 ( 0.000 4.183 -2.082) 4.673 10.315 ( 0.000 -3.585 2.632) 4.448 10.315 ( 0.000 3.585 2.632) 4.448 10.399 ( 0.000 -2.808 2.626) 3.845 10.399 ( 0.000 2.808 2.626) 3.845 10.579 ( 0.000 -2.984 2.917) 4.173 10.579 ( 0.000 2.984 2.917) 4.173 10.681 ( 0.000 -3.688 6.883) 7.809 10.681 ( 0.000 3.688 6.883) 7.809 10.831 ( 0.000 -1.994 6.225) 6.537 10.831 ( 0.000 1.994 6.225) 6.537 10.864 ( 0.000 -8.874 0.828) 8.913 10.864 ( 0.000 8.874 0.828) 8.913 11.123 ( 0.000 -1.080 -1.624) 1.950 11.123 ( 0.000 1.080 -1.624) 1.950 11.211 ( 0.000 -5.552 6.756) 8.745 11.211 ( 0.000 5.552 6.756) 8.745 11.305 ( 0.000 -9.118 4.275) 10.071 11.305 ( 0.000 9.118 4.275) 10.071 11.471 ( 0.000 -1.261 -1.363) 1.857 11.471 ( 0.000 1.261 -1.363) 1.857 11.666 ( 0.000 -4.109 -2.405) 4.761 11.666 ( 0.000 4.109 -2.405) 4.761 11.735 ( 0.000 -3.759 4.305) 5.715 11.735 ( 0.000 3.759 4.305) 5.715 11.937 ( 0.000 -0.714 -3.273) 3.350 11.937 ( 0.000 0.714 -3.273) 3.350 12.130 ( 0.000 -3.912 -5.667) 6.886 12.130 ( 0.000 3.912 -5.667) 6.886 12.217 ( 0.000 -1.448 4.226) 4.467 12.217 ( 0.000 1.448 4.226) 4.467 12.397 ( 0.000 -4.623 -6.082) 7.640 12.397 ( 0.000 4.623 -6.082) 7.640 12.553 ( 0.000 -3.872 -0.222) 3.878 12.553 ( 0.000 3.872 -0.222) 3.878 12.755 ( 0.000 -2.221 0.949) 2.415 12.755 ( 0.000 2.221 0.949) 2.415 12.798 ( 0.000 -2.755 6.749) 7.290 12.798 ( 0.000 2.755 6.749) 7.290 12.906 ( 0.000 -3.167 6.597) 7.317 12.906 ( 0.000 3.167 6.597) 7.317 13.008 ( 0.000 -3.253 2.363) 4.020 13.008 ( 0.000 3.253 2.363) 4.020 13.109 ( 0.000 -2.141 -0.419) 2.181 13.109 ( 0.000 2.141 -0.419) 2.181 13.152 ( 0.000 -4.565 0.435) 4.586 13.152 ( 0.000 4.565 0.435) 4.586 13.179 ( 0.000 -3.551 -3.868) 5.251 13.179 ( 0.000 3.551 -3.868) 5.251 13.265 ( 0.000 -4.144 -0.636) 4.192 13.265 ( 0.000 4.144 -0.636) 4.192 13.535 ( 0.000 -1.261 1.701) 2.118 13.535 ( 0.000 1.261 1.701) 2.118 13.616 ( 0.000 -5.558 1.127) 5.671 13.616 ( 0.000 5.558 1.127) 5.671 13.814 ( 0.000 -4.039 -8.507) 9.417 13.814 ( 0.000 4.039 -8.507) 9.417 13.996 ( 0.000 -1.167 -0.313) 1.208 13.996 ( 0.000 1.167 -0.313) 1.208 14.067 ( 0.000 -8.340 2.520) 8.712 14.067 ( 0.000 8.340 2.520) 8.712 14.281 ( 0.000 -5.779 7.730) 9.651 14.281 ( 0.000 5.779 7.730) 9.651 14.499 ( 0.000 -1.661 8.531) 8.691 14.499 ( 0.000 1.661 8.531) 8.691 14.749 ( 0.000 -3.364 -5.446) 6.402 14.749 ( 0.000 3.364 -5.446) 6.402 14.869 ( 0.000 -2.025 0.179) 2.033 14.869 ( 0.000 2.025 0.179) 2.033 15.414 ( 0.000 -0.804 -1.639) 1.826 15.414 ( 0.000 0.804 -1.639) 1.826 15.602 ( 0.000 -12.659 -5.773) 13.913 15.602 ( 0.000 12.659 -5.773) 13.913 15.687 ( 0.000 -4.229 -1.756) 4.579 15.687 ( 0.000 4.229 -1.756) 4.579 15.903 ( 0.000 -2.697 -1.447) 3.060 15.903 ( 0.000 2.697 -1.447) 3.060 16.172 ( 0.000 -4.244 3.733) 5.652 16.172 ( 0.000 4.244 3.733) 5.652 16.275 ( 0.000 -2.974 7.050) 7.652 16.275 ( 0.000 2.974 7.050) 7.652 16.522 ( 0.000 -3.446 2.249) 4.115 16.522 ( 0.000 3.446 2.249) 4.115 16.593 ( 0.000 -2.490 -10.471) 10.763 16.593 ( 0.000 2.490 -10.471) 10.763 17.082 ( 0.000 -2.192 1.835) 2.859 17.082 ( 0.000 2.192 1.835) 2.859 17.278 ( 0.000 -10.318 5.887) 11.879 17.278 ( 0.000 10.318 5.887) 11.879 17.523 ( 0.000 -3.516 2.112) 4.101 17.523 ( 0.000 3.516 2.112) 4.101 18.402 ( 0.000 -3.690 2.709) 4.577 18.402 ( 0.000 3.690 2.709) 4.577 18.626 ( 0.000 -12.783 0.986) 12.821 18.626 ( 0.000 12.783 0.986) 12.821 19.691 ( 0.000 -1.128 -3.609) 3.781 19.691 ( 0.000 1.128 -3.609) 3.781 20.356 ( 0.000 -0.366 -0.137) 0.391 20.356 ( 0.000 0.366 -0.137) 0.391 20.598 ( 0.000 -1.199 -1.675) 2.060 20.598 ( 0.000 1.199 -1.675) 2.060 21.144 ( 0.000 -8.732 -9.586) 12.967 21.144 ( 0.000 8.732 -9.586) 12.967 21.492 ( 0.000 -0.885 4.600) 4.684 21.492 ( 0.000 0.885 4.600) 4.684 22.016 ( 0.000 -0.303 0.932) 0.980 22.016 ( 0.000 0.303 0.932) 0.980 22.377 ( 0.000 -5.525 2.385) 6.018 22.377 ( 0.000 5.525 2.385) 6.018 22.882 ( 0.000 -5.458 -10.288) 11.646 22.882 ( 0.000 5.458 -10.288) 11.646 25.076 ( 0.000 -4.831 10.315) 11.390 25.076 ( 0.000 4.831 10.315) 11.390 25.505 ( 0.000 -2.197 -0.910) 2.378 25.505 ( 0.000 2.197 -0.910) 2.378 28.972 ( 0.000 -2.727 3.655) 4.560 28.972 ( 0.000 2.727 3.655) 4.560 29.177 ( 0.000 -1.428 -0.275) 1.454 29.177 ( 0.000 1.428 -0.275) 1.454 29.498 ( 0.000 -0.191 4.006) 4.010 29.498 ( 0.000 0.191 4.006) 4.010 29.812 ( 0.000 -0.691 -1.901) 2.023 29.812 ( 0.000 0.691 -1.901) 2.023 34.507 ( 0.000 -1.472 -2.657) 3.038 34.507 ( 0.000 1.472 -2.657) 3.038 34.511 ( 0.000 -0.487 -0.984) 1.098 34.511 ( 0.000 0.487 -0.984) 1.098 97.658 ( 0.000 -2.228 5.331) 5.778 97.658 ( 0.000 2.228 5.331) 5.778 97.932 ( 0.000 -0.111 -0.831) 0.839 97.932 ( 0.000 0.111 -0.831) 0.839 100.187 ( 0.000 -0.663 -4.437) 4.486 100.187 ( 0.000 0.663 -4.437) 4.486 100.390 ( 0.000 -4.860 -6.021) 7.738 100.390 ( 0.000 4.860 -6.021) 7.738 ======================= Grid point 79 (32/72) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 21.461 -33.774 19.759) 44.628 2.010 ( 21.461 33.774 19.759) 44.628 2.139 ( 21.859 -35.145 21.882) 46.817 2.139 ( 21.859 35.145 21.882) 46.817 3.404 ( 27.213 -58.236 23.894) 68.578 3.404 ( 27.213 58.236 23.894) 68.578 4.203 ( 6.077 -5.875 -25.990) 27.329 4.203 ( 6.077 5.875 -25.990) 27.329 4.434 ( 7.385 -25.021 3.769) 26.359 4.434 ( 7.385 25.021 3.769) 26.359 4.552 ( 4.845 -6.501 -11.009) 13.672 4.552 ( 4.845 6.501 -11.009) 13.672 4.611 ( 4.828 -11.682 -3.119) 13.020 4.611 ( 4.828 11.682 -3.119) 13.019 5.228 ( 0.052 -6.493 7.553) 9.961 5.228 ( 0.052 6.493 7.553) 9.961 5.623 ( 1.546 -1.514 8.809) 9.071 5.623 ( 1.546 1.514 8.809) 9.071 5.702 ( -3.480 -8.549 -10.323) 13.848 5.702 ( -3.480 8.549 -10.323) 13.848 5.779 ( -3.118 -15.201 -3.448) 15.896 5.779 ( -3.118 15.201 -3.448) 15.896 5.932 ( -2.502 -3.637 3.613) 5.705 5.932 ( -2.502 3.637 3.613) 5.705 6.111 ( 0.588 -8.079 1.425) 8.225 6.111 ( 0.588 8.079 1.425) 8.225 6.312 ( -0.821 -6.301 4.266) 7.653 6.312 ( -0.821 6.301 4.266) 7.653 6.407 ( -4.203 -2.726 6.337) 8.078 6.407 ( -4.203 2.726 6.337) 8.078 6.635 ( -6.597 -3.606 11.396) 13.652 6.635 ( -6.597 3.606 11.396) 13.652 6.788 ( -5.570 -5.769 4.600) 9.244 6.788 ( -5.570 5.769 4.600) 9.244 6.957 ( -6.062 -1.926 6.885) 9.374 6.957 ( -6.062 1.926 6.885) 9.374 7.112 ( -5.565 -7.839 6.955) 11.866 7.112 ( -5.565 7.839 6.955) 11.866 7.340 ( -3.843 -1.870 3.062) 5.257 7.340 ( -3.843 1.870 3.062) 5.257 7.406 ( -1.998 -2.522 -12.523) 12.929 7.406 ( -1.998 2.522 -12.523) 12.929 7.781 ( 0.290 -5.672 -7.187) 9.161 7.781 ( 0.290 5.672 -7.187) 9.161 7.926 ( 4.520 -3.775 -8.608) 10.430 7.926 ( 4.520 3.775 -8.608) 10.430 8.062 ( -1.939 -3.570 -5.026) 6.462 8.062 ( -1.939 3.570 -5.026) 6.462 8.194 ( -0.148 -5.432 -3.987) 6.740 8.194 ( -0.148 5.432 -3.987) 6.740 8.295 ( 4.878 -16.191 -2.674) 17.120 8.295 ( 4.878 16.191 -2.674) 17.120 8.439 ( 2.243 -10.357 -6.193) 12.274 8.439 ( 2.243 10.357 -6.193) 12.274 8.647 ( 6.475 -4.365 0.523) 7.827 8.647 ( 6.475 4.365 0.523) 7.827 8.826 ( -3.529 -6.840 -6.794) 10.266 8.826 ( -3.529 6.840 -6.794) 10.266 8.971 ( -6.388 -3.741 0.480) 7.418 8.971 ( -6.388 3.741 0.480) 7.418 9.249 ( -5.663 -1.055 -8.978) 10.667 9.249 ( -5.663 1.055 -8.978) 10.667 9.356 ( -13.059 -4.136 -7.218) 15.484 9.356 ( -13.059 4.136 -7.218) 15.484 9.533 ( -4.643 -3.567 -1.307) 5.999 9.533 ( -4.643 3.567 -1.307) 5.999 9.654 ( 2.698 -2.203 1.871) 3.954 9.654 ( 2.698 2.203 1.871) 3.954 9.801 ( 1.944 -1.432 -2.564) 3.522 9.801 ( 1.944 1.432 -2.564) 3.522 9.909 ( 1.917 -5.360 -5.356) 7.817 9.909 ( 1.917 5.360 -5.356) 7.817 10.034 ( 2.300 -1.135 -6.345) 6.844 10.034 ( 2.300 1.135 -6.345) 6.844 10.195 ( -2.199 -2.107 -1.621) 3.450 10.195 ( -2.199 2.107 -1.621) 3.450 10.307 ( -1.733 -0.816 2.535) 3.177 10.307 ( -1.733 0.816 2.535) 3.177 10.473 ( -1.147 -5.396 -2.489) 6.052 10.473 ( -1.147 5.396 -2.489) 6.052 10.523 ( -1.869 -1.431 2.797) 3.655 10.523 ( -1.869 1.431 2.797) 3.655 10.667 ( 3.943 -2.260 6.825) 8.200 10.667 ( 3.943 2.260 6.825) 8.200 10.865 ( 4.019 -6.313 3.765) 8.377 10.865 ( 4.019 6.313 3.765) 8.377 10.970 ( 5.518 -5.063 5.689) 9.404 10.970 ( 5.518 5.063 5.689) 9.404 11.161 ( 4.641 -2.233 -0.146) 5.152 11.161 ( 4.641 2.233 -0.146) 5.152 11.218 ( 0.081 -2.550 1.793) 3.119 11.218 ( 0.081 2.550 1.793) 3.119 11.307 ( 0.474 -6.614 5.115) 8.374 11.307 ( 0.474 6.614 5.115) 8.374 11.509 ( 5.494 -5.296 1.336) 7.747 11.509 ( 5.494 5.296 1.336) 7.747 11.765 ( 7.995 -2.400 0.846) 8.390 11.765 ( 7.995 2.400 0.846) 8.390 11.808 ( 6.132 -3.740 -0.559) 7.205 11.808 ( 6.132 3.740 -0.559) 7.205 11.927 ( -1.278 -1.991 -4.008) 4.654 11.927 ( -1.278 1.991 -4.008) 4.654 12.057 ( -4.443 -5.552 0.006) 7.111 12.057 ( -4.443 5.552 0.006) 7.111 12.183 ( -3.946 -2.270 2.192) 5.053 12.183 ( -3.946 2.270 2.192) 5.053 12.341 ( -4.731 -3.632 -0.399) 5.978 12.341 ( -4.731 3.632 -0.399) 5.978 12.442 ( -7.893 -5.579 -2.283) 9.932 12.442 ( -7.893 5.579 -2.283) 9.932 12.696 ( -6.434 -5.989 0.300) 8.795 12.696 ( -6.434 5.989 0.300) 8.795 12.777 ( -3.754 -4.360 4.196) 7.121 12.777 ( -3.754 4.360 4.196) 7.121 12.879 ( -1.260 -6.349 2.076) 6.798 12.879 ( -1.260 6.349 2.076) 6.798 13.016 ( -6.618 -0.913 2.445) 7.114 13.016 ( -6.618 0.913 2.445) 7.114 13.101 ( -0.347 -0.789 -4.589) 4.669 13.101 ( -0.347 0.789 -4.589) 4.669 13.148 ( 5.080 -1.992 5.730) 7.912 13.148 ( 5.080 1.992 5.730) 7.912 13.205 ( 1.945 -4.013 -1.529) 4.714 13.205 ( 1.945 4.013 -1.529) 4.714 13.274 ( 3.636 -0.536 3.031) 4.763 13.274 ( 3.636 0.536 3.031) 4.763 13.569 ( 2.198 -1.133 -1.297) 2.792 13.569 ( 2.198 1.133 -1.297) 2.792 13.664 ( -1.259 -1.420 -1.243) 2.269 13.664 ( -1.259 1.420 -1.243) 2.269 13.796 ( 1.392 -7.697 -2.851) 8.325 13.796 ( 1.392 7.697 -2.851) 8.325 13.946 ( -5.249 -4.963 -1.317) 7.343 13.946 ( -5.249 4.963 -1.317) 7.343 14.146 ( 5.909 -5.653 1.738) 8.360 14.146 ( 5.909 5.653 1.738) 8.360 14.246 ( -3.879 -5.657 6.126) 9.196 14.246 ( -3.879 5.657 6.126) 9.196 14.479 ( 0.934 -3.439 4.376) 5.644 14.479 ( 0.934 3.439 4.376) 5.644 14.797 ( 5.047 -1.591 -3.605) 6.403 14.797 ( 5.047 1.591 -3.605) 6.403 14.929 ( 5.528 -2.167 1.062) 6.032 14.929 ( 5.528 2.167 1.062) 6.032 15.330 ( -6.229 -1.099 0.167) 6.328 15.330 ( -6.229 1.099 0.167) 6.328 15.529 ( -5.563 -8.953 -5.600) 11.936 15.529 ( -5.563 8.953 -5.600) 11.936 15.726 ( 1.641 -5.183 -0.508) 5.461 15.726 ( 1.641 5.183 -0.508) 5.461 16.000 ( 5.811 -1.517 0.324) 6.015 16.000 ( 5.811 1.517 0.324) 6.015 16.168 ( 0.595 -5.039 1.877) 5.410 16.168 ( 0.595 5.039 1.877) 5.410 16.295 ( 2.124 -3.518 2.741) 4.940 16.295 ( 2.124 3.518 2.741) 4.940 16.493 ( -2.009 -5.786 -4.373) 7.526 16.493 ( -2.009 5.786 -4.373) 7.526 16.631 ( 2.849 -2.080 -0.317) 3.542 16.631 ( 2.849 2.080 -0.317) 3.542 17.084 ( 0.273 -2.212 1.197) 2.530 17.084 ( 0.273 2.212 1.197) 2.530 17.292 ( 1.529 -7.225 7.837) 10.768 17.292 ( 1.529 7.225 7.837) 10.768 17.538 ( 2.016 -2.798 -0.643) 3.509 17.538 ( 2.016 2.798 -0.643) 3.509 18.330 ( -10.438 -4.796 3.382) 11.974 18.330 ( -10.438 4.796 3.382) 11.974 18.495 ( -4.133 -1.641 -1.504) 4.694 18.495 ( -4.133 1.641 -1.504) 4.694 19.778 ( 4.283 -11.518 -2.878) 12.621 19.778 ( 4.283 11.518 -2.878) 12.621 20.481 ( 10.881 -3.106 -1.428) 11.405 20.481 ( 10.881 3.106 -1.428) 11.405 20.610 ( 1.388 -1.372 -1.414) 2.410 20.610 ( 1.388 1.372 -1.414) 2.410 21.145 ( 0.457 -8.548 -7.954) 11.685 21.145 ( 0.457 8.548 -7.954) 11.685 21.455 ( -3.610 -1.801 4.534) 6.069 21.455 ( -3.610 1.801 4.534) 6.069 21.955 ( -5.677 -2.211 1.478) 6.269 21.955 ( -5.677 2.211 1.478) 6.269 22.360 ( -1.732 -5.523 1.785) 6.057 22.360 ( -1.732 5.523 1.785) 6.057 22.792 ( -8.093 -7.313 -7.978) 13.514 22.792 ( -8.093 7.313 -7.978) 13.514 25.066 ( -0.576 -2.945 9.071) 9.554 25.066 ( -0.576 2.945 9.071) 9.554 25.490 ( -1.479 -2.171 -1.081) 2.841 25.490 ( -1.479 2.171 -1.081) 2.841 28.971 ( 0.095 -1.956 3.283) 3.823 28.971 ( 0.095 1.956 3.283) 3.823 29.167 ( -0.896 -1.668 -0.673) 2.010 29.167 ( -0.896 1.668 -0.673) 2.010 29.554 ( 5.609 -0.079 4.049) 6.918 29.554 ( 5.609 0.079 4.049) 6.918 29.935 ( 10.309 -3.576 -3.878) 11.580 29.935 ( 10.309 3.576 -3.878) 11.580 34.471 ( -2.666 -2.054 -1.314) 3.613 34.471 ( -2.666 2.054 -1.314) 3.613 34.506 ( -1.064 -0.240 -1.493) 1.849 34.506 ( -1.064 0.240 -1.493) 1.849 97.657 ( 0.091 -1.584 4.694) 4.955 97.657 ( 0.091 1.584 4.694) 4.955 97.922 ( -0.991 -0.088 -0.893) 1.337 97.922 ( -0.991 0.088 -0.893) 1.337 100.132 ( -4.525 -4.840 -3.152) 7.338 100.132 ( -4.525 4.840 -3.152) 7.338 100.367 ( -2.286 -3.089 -4.208) 5.699 100.367 ( -2.286 3.089 -4.208) 5.699 ======================= Grid point 81 (33/72) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( 29.710 -15.194 15.376) 36.742 2.521 ( 29.710 15.194 15.376) 36.742 2.653 ( 29.851 -21.760 13.742) 39.414 2.653 ( 29.851 21.760 13.742) 39.414 4.084 ( 36.687 -33.594 13.086) 51.437 4.084 ( 36.687 33.594 13.086) 51.437 4.385 ( 14.786 -6.330 -19.103) 24.972 4.385 ( 14.786 6.330 -19.103) 24.972 4.550 ( 5.029 -2.145 -16.320) 17.212 4.550 ( 5.029 2.145 -16.320) 17.212 4.657 ( 10.175 -15.938 -1.000) 18.936 4.657 ( 10.175 15.938 -1.000) 18.936 4.839 ( 12.649 -18.356 9.444) 24.210 4.839 ( 12.649 18.356 9.444) 24.210 5.218 ( -0.915 -2.437 7.512) 7.950 5.218 ( -0.915 2.437 7.512) 7.950 5.529 ( -12.050 -3.369 7.729) 14.707 5.529 ( -12.050 3.369 7.729) 14.707 5.644 ( -0.573 -1.824 8.708) 8.915 5.644 ( -0.573 1.824 8.708) 8.915 5.742 ( -1.098 -12.611 -2.824) 12.970 5.742 ( -1.098 12.611 -2.824) 12.970 5.928 ( 3.203 -4.460 -1.466) 5.683 5.928 ( 3.203 4.460 -1.466) 5.683 6.113 ( -1.379 -0.505 0.912) 1.729 6.113 ( -1.379 0.505 0.912) 1.729 6.253 ( -8.231 -3.132 5.102) 10.177 6.253 ( -8.231 3.132 5.102) 10.177 6.366 ( 4.966 -2.209 5.485) 7.721 6.366 ( 4.966 2.209 5.485) 7.721 6.550 ( -3.775 -5.595 9.068) 11.304 6.550 ( -3.775 5.595 9.068) 11.304 6.596 ( -12.217 -5.011 7.023) 14.956 6.596 ( -12.217 5.011 7.023) 14.956 6.773 ( -12.770 -7.836 9.205) 17.584 6.773 ( -12.770 7.836 9.205) 17.584 6.998 ( -4.347 -8.512 0.091) 9.558 6.998 ( -4.347 8.512 0.091) 9.558 7.242 ( -7.620 -2.203 -0.679) 7.961 7.242 ( -7.620 2.203 -0.679) 7.961 7.369 ( -1.688 -7.077 -10.379) 12.676 7.369 ( -1.688 7.077 -10.379) 12.676 7.672 ( -11.396 -1.445 -1.047) 11.535 7.672 ( -11.396 1.445 -1.047) 11.535 7.849 ( -5.948 -3.356 -10.597) 12.607 7.849 ( -5.948 3.356 -10.597) 12.607 8.097 ( 0.630 -3.715 -3.847) 5.384 8.097 ( 0.630 3.715 -3.847) 5.384 8.280 ( -9.395 -2.989 -7.580) 12.436 8.280 ( -9.395 2.989 -7.580) 12.436 8.347 ( 9.235 -13.266 -7.598) 17.861 8.347 ( 9.235 13.266 -7.598) 17.861 8.425 ( 0.340 -10.057 -14.151) 17.364 8.425 ( 0.340 10.057 -14.151) 17.364 8.709 ( -0.804 -1.940 1.509) 2.586 8.709 ( -0.804 1.940 1.509) 2.586 8.813 ( -6.739 -4.468 -0.044) 8.085 8.813 ( -6.739 4.468 -0.044) 8.085 8.891 ( 1.840 -3.287 -4.873) 6.159 8.891 ( 1.840 3.287 -4.873) 6.159 9.069 ( -0.432 -1.827 0.202) 1.889 9.069 ( -0.432 1.827 0.202) 1.889 9.230 ( -0.748 -4.886 -6.162) 7.900 9.230 ( -0.748 4.886 -6.162) 7.900 9.480 ( -1.021 -2.924 -3.048) 4.346 9.480 ( -1.021 2.924 -3.048) 4.346 9.692 ( 0.659 -1.139 1.021) 1.666 9.692 ( 0.659 1.139 1.021) 1.666 9.801 ( -0.512 -1.580 -3.320) 3.712 9.801 ( -0.512 1.580 -3.320) 3.712 9.903 ( -2.909 -3.779 -1.548) 5.014 9.903 ( -2.909 3.779 -1.548) 5.014 10.096 ( -1.559 -2.436 -2.908) 4.102 10.096 ( -1.559 2.436 -2.908) 4.102 10.170 ( 5.040 -4.365 -3.782) 7.665 10.170 ( 5.040 4.365 -3.782) 7.665 10.268 ( -3.559 -1.797 -1.027) 4.116 10.268 ( -3.559 1.797 -1.027) 4.116 10.357 ( -5.491 -2.424 -1.326) 6.147 10.357 ( -5.491 2.424 -1.326) 6.147 10.482 ( -6.088 -5.385 -0.692) 8.157 10.482 ( -6.088 5.385 -0.692) 8.157 10.764 ( 4.321 -3.251 5.252) 7.538 10.764 ( 4.321 3.251 5.252) 7.538 10.949 ( 2.886 -2.120 4.626) 5.850 10.949 ( 2.886 2.120 4.626) 5.850 11.023 ( 0.461 -6.975 3.762) 7.939 11.023 ( 0.461 6.975 3.762) 7.939 11.213 ( 1.093 -0.321 -1.630) 1.989 11.213 ( 1.093 0.321 -1.630) 1.989 11.299 ( 5.980 -2.355 1.488) 6.597 11.299 ( 5.980 2.355 1.488) 6.597 11.358 ( 6.638 -3.366 5.553) 9.286 11.358 ( 6.638 3.366 5.553) 9.286 11.648 ( 5.819 -3.185 0.129) 6.635 11.648 ( 5.819 3.185 0.129) 6.635 11.771 ( -6.512 -3.900 -4.323) 8.736 11.771 ( -6.512 3.900 -4.323) 8.736 11.902 ( 1.696 -3.597 1.073) 4.119 11.902 ( 1.696 3.597 1.073) 4.119 11.952 ( 1.276 -2.868 -0.245) 3.148 11.952 ( 1.276 2.868 -0.245) 3.148 12.061 ( 3.767 -1.275 2.351) 4.620 12.061 ( 3.767 1.275 2.351) 4.620 12.090 ( -2.839 -5.553 3.503) 7.153 12.090 ( -2.839 5.553 3.503) 7.153 12.272 ( -1.938 -2.889 0.842) 3.579 12.272 ( -1.938 2.889 0.842) 3.579 12.363 ( 0.862 -6.500 0.474) 6.574 12.363 ( 0.862 6.500 0.474) 6.574 12.508 ( -9.146 -10.899 2.347) 14.420 12.508 ( -9.146 10.899 2.347) 14.420 12.689 ( -4.299 -1.061 0.199) 4.433 12.689 ( -4.299 1.061 0.199) 4.433 12.875 ( 0.371 -2.900 -1.832) 3.450 12.875 ( 0.371 2.900 -1.832) 3.450 12.950 ( -1.264 -1.588 4.795) 5.207 12.950 ( -1.264 1.588 4.795) 5.207 13.052 ( -3.530 -2.579 -3.828) 5.811 13.052 ( -3.530 2.579 -3.828) 5.811 13.171 ( -2.359 -6.934 1.357) 7.449 13.171 ( -2.359 6.934 1.357) 7.449 13.248 ( 3.254 -0.898 -0.474) 3.408 13.248 ( 3.254 0.898 -0.474) 3.408 13.387 ( 2.093 -2.644 3.516) 4.872 13.387 ( 2.093 2.644 3.516) 4.872 13.491 ( -10.463 -1.772 -2.137) 10.825 13.491 ( -10.463 1.772 -2.137) 10.825 13.612 ( 1.887 -1.651 -3.561) 4.355 13.612 ( 1.887 1.651 -3.561) 4.355 13.834 ( -2.585 -2.866 3.332) 5.099 13.834 ( -2.585 2.866 3.332) 5.099 13.888 ( 4.398 -4.396 0.453) 6.235 13.888 ( 4.398 4.396 0.453) 6.235 14.116 ( -2.393 -7.438 6.272) 10.020 14.116 ( -2.393 7.438 6.272) 10.020 14.347 ( 7.905 -3.119 1.017) 8.558 14.347 ( 7.905 3.119 1.017) 8.558 14.527 ( 2.377 -2.606 0.740) 3.604 14.527 ( 2.377 2.606 0.740) 3.604 14.877 ( 2.459 -2.562 -3.532) 5.009 14.877 ( 2.459 2.562 -3.532) 5.009 15.045 ( 3.768 -2.193 0.103) 4.361 15.045 ( 3.768 2.193 0.103) 4.361 15.222 ( -4.710 -2.406 2.652) 5.917 15.222 ( -4.710 2.406 2.652) 5.917 15.429 ( -2.666 -5.198 -4.010) 7.085 15.429 ( -2.666 5.198 -4.010) 7.085 15.738 ( -0.655 -5.877 3.855) 7.059 15.738 ( -0.655 5.877 3.855) 7.059 16.048 ( 0.632 -1.734 1.548) 2.409 16.048 ( 0.632 1.734 1.548) 2.409 16.184 ( -0.291 -4.811 -2.424) 5.395 16.184 ( -0.291 4.811 -2.424) 5.395 16.342 ( 1.882 -2.141 -1.978) 3.469 16.342 ( 1.882 2.141 -1.978) 3.469 16.466 ( -0.141 -3.279 -4.202) 5.332 16.466 ( -0.141 3.279 -4.202) 5.332 16.689 ( 2.786 -2.743 6.459) 7.550 16.689 ( 2.786 2.743 6.459) 7.550 17.101 ( 1.786 -2.985 -0.610) 3.532 17.101 ( 1.786 2.985 -0.610) 3.532 17.321 ( 0.823 -1.695 9.417) 9.604 17.321 ( 0.823 1.695 9.417) 9.604 17.615 ( 5.504 -2.049 -4.406) 7.342 17.615 ( 5.504 2.049 -4.406) 7.342 18.124 ( -7.703 -2.767 -1.596) 8.339 18.124 ( -7.703 2.767 -1.596) 8.339 18.491 ( 1.501 -1.602 -1.242) 2.523 18.491 ( 1.501 1.602 -1.242) 2.523 19.808 ( -0.305 -9.701 -2.034) 9.917 19.808 ( -0.305 9.701 -2.034) 9.917 20.633 ( 3.247 -0.650 -2.261) 4.010 20.633 ( 3.247 0.650 -2.261) 4.010 20.682 ( 5.768 -6.797 -1.424) 9.028 20.682 ( 5.768 6.797 -1.424) 9.028 21.176 ( 2.772 -7.778 -3.533) 8.981 21.176 ( 2.772 7.778 -3.533) 8.981 21.362 ( -5.797 -2.847 4.102) 7.651 21.362 ( -5.797 2.847 4.102) 7.651 21.829 ( -6.613 -2.815 1.355) 7.314 21.829 ( -6.613 2.815 1.355) 7.314 22.313 ( -3.008 -5.608 0.616) 6.394 22.313 ( -3.008 5.608 0.616) 6.394 22.618 ( -9.110 -8.523 -5.076) 13.469 22.618 ( -9.110 8.523 -5.076) 13.469 25.069 ( 1.051 -0.989 6.556) 6.713 25.069 ( 1.051 0.989 6.556) 6.713 25.450 ( -2.616 -1.875 -1.187) 3.430 25.450 ( -2.616 1.875 -1.187) 3.430 28.980 ( 0.827 -1.076 2.424) 2.778 28.980 ( 0.827 1.076 2.424) 2.778 29.146 ( -1.195 -1.339 -1.046) 2.078 29.146 ( -1.195 1.339 -1.046) 2.078 29.701 ( 9.226 -0.619 3.710) 9.963 29.701 ( 9.226 0.619 3.710) 9.963 30.125 ( 8.250 -5.804 -4.780) 11.162 30.125 ( 8.250 5.804 -4.780) 11.162 34.417 ( -2.728 -2.116 -0.462) 3.483 34.417 ( -2.728 2.116 -0.462) 3.483 34.473 ( -2.171 -0.482 -1.241) 2.547 34.473 ( -2.171 0.482 -1.241) 2.547 97.666 ( 0.879 -0.793 3.411) 3.611 97.666 ( 0.879 0.793 3.411) 3.611 97.895 ( -1.692 -0.091 -0.916) 1.926 97.895 ( -1.692 0.091 -0.916) 1.926 100.054 ( -3.075 -5.833 -1.115) 6.687 100.054 ( -3.075 5.833 -1.115) 6.687 100.307 ( -3.816 -0.917 -2.432) 4.617 100.307 ( -3.816 0.917 -2.432) 4.617 ======================= Grid point 83 (34/72) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( 31.336 -6.610 8.822) 33.218 3.116 ( 31.336 6.610 8.822) 33.218 3.261 ( 32.576 -7.662 13.563) 36.109 3.261 ( 32.576 7.662 13.563) 36.109 4.452 ( 8.707 -7.091 -13.895) 17.865 4.452 ( 8.707 7.091 -13.895) 17.865 4.691 ( 8.744 -9.287 -12.109) 17.588 4.691 ( 8.744 9.287 -12.109) 17.588 4.797 ( 14.464 -14.382 -0.032) 20.397 4.797 ( 14.464 14.382 -0.032) 20.397 4.960 ( 6.936 -7.299 13.104) 16.526 4.960 ( 6.936 7.299 13.104) 16.526 5.052 ( 17.079 -14.382 2.272) 22.443 5.052 ( 17.079 14.382 2.272) 22.444 5.208 ( 1.508 -5.240 6.721) 8.654 5.208 ( 1.508 5.240 6.721) 8.654 5.311 ( -5.785 -1.938 9.653) 11.419 5.311 ( -5.785 1.938 9.653) 11.419 5.610 ( -3.021 -5.450 7.947) 10.099 5.610 ( -3.021 5.450 7.947) 10.099 5.727 ( -0.221 -7.211 0.453) 7.229 5.727 ( -0.221 7.211 0.453) 7.229 5.980 ( -3.802 -4.900 1.568) 6.397 5.980 ( -3.802 4.900 1.568) 6.397 6.014 ( -2.741 -3.479 0.241) 4.436 6.014 ( -2.741 3.479 0.241) 4.436 6.210 ( 1.049 -10.174 -2.361) 10.497 6.210 ( 1.049 10.174 -2.361) 10.497 6.324 ( -10.100 -2.053 5.042) 11.473 6.324 ( -10.100 2.053 5.042) 11.473 6.458 ( -4.399 -7.003 6.097) 10.275 6.458 ( -4.399 7.003 6.097) 10.275 6.533 ( 4.474 -8.322 8.494) 12.705 6.533 ( 4.474 8.322 8.494) 12.705 6.595 ( 1.443 -6.232 8.376) 10.539 6.595 ( 1.443 6.232 8.376) 10.539 6.912 ( -7.590 -4.098 -5.881) 10.439 6.912 ( -7.590 4.098 -5.881) 10.439 7.061 ( -6.922 -4.224 -0.759) 8.145 7.061 ( -6.922 4.224 -0.759) 8.145 7.340 ( -1.895 -11.298 -5.155) 12.562 7.340 ( -1.895 11.298 -5.155) 12.562 7.459 ( -9.407 -1.069 3.724) 10.173 7.459 ( -9.407 1.069 3.724) 10.173 7.706 ( -9.227 -2.057 -12.970) 16.050 7.706 ( -9.227 2.057 -12.970) 16.050 7.963 ( -13.388 -3.298 -5.177) 14.728 7.963 ( -13.388 3.298 -5.177) 14.728 8.126 ( -4.403 -5.675 1.868) 7.422 8.126 ( -4.403 5.675 1.868) 7.422 8.278 ( -16.361 -2.015 -1.809) 16.583 8.278 ( -16.361 2.015 -1.809) 16.583 8.435 ( -1.621 -15.402 -1.688) 15.579 8.435 ( -1.621 15.402 -1.688) 15.579 8.579 ( 4.121 -5.025 -11.646) 13.336 8.579 ( 4.121 5.025 -11.646) 13.336 8.916 ( 5.378 -0.217 -1.535) 5.597 8.916 ( 5.378 0.217 -1.535) 5.597 9.013 ( 10.361 -4.903 -10.585) 15.602 9.013 ( 10.361 4.903 -10.585) 15.602 9.087 ( -0.042 -1.730 -3.588) 3.984 9.087 ( -0.042 1.730 -3.588) 3.984 9.318 ( 3.738 -3.782 1.703) 5.584 9.318 ( 3.738 3.782 1.703) 5.584 9.476 ( 3.396 -4.624 -4.477) 7.276 9.476 ( 3.396 4.624 -4.477) 7.276 9.685 ( -1.639 -2.404 -3.715) 4.719 9.685 ( -1.639 2.404 -3.715) 4.719 9.790 ( 0.522 -4.352 -1.714) 4.706 9.790 ( 0.522 4.352 -1.714) 4.706 9.892 ( 1.023 -3.497 -4.354) 5.678 9.892 ( 1.023 3.497 -4.354) 5.678 10.019 ( -6.462 -3.101 0.525) 7.187 10.019 ( -6.462 3.101 0.525) 7.187 10.166 ( -5.173 -3.856 -1.057) 6.538 10.166 ( -5.173 3.856 -1.057) 6.538 10.226 ( -1.686 -1.063 -1.706) 2.624 10.226 ( -1.686 1.063 -1.706) 2.624 10.275 ( -5.889 -2.400 -1.959) 6.654 10.275 ( -5.889 2.400 -1.959) 6.654 10.362 ( -0.336 -1.753 -1.539) 2.357 10.362 ( -0.336 1.753 -1.539) 2.357 10.835 ( 2.651 -2.621 0.486) 3.759 10.835 ( 2.651 2.621 0.486) 3.759 10.964 ( -2.979 -2.841 5.838) 7.144 10.964 ( -2.979 2.841 5.838) 7.144 10.983 ( -2.137 -6.204 4.768) 8.111 10.983 ( -2.137 6.204 4.768) 8.111 11.242 ( 0.902 -0.729 -3.059) 3.272 11.242 ( 0.902 0.729 -3.059) 3.272 11.393 ( 3.632 -1.888 0.972) 4.207 11.393 ( 3.632 1.888 0.972) 4.207 11.487 ( 3.086 -0.524 1.389) 3.425 11.487 ( 3.086 0.524 1.389) 3.425 11.619 ( -4.472 -4.968 2.016) 6.982 11.619 ( -4.472 4.968 2.016) 6.982 11.711 ( -0.156 -3.727 -3.389) 5.039 11.711 ( -0.156 3.727 -3.389) 5.039 11.847 ( -3.417 -1.965 -0.714) 4.006 11.847 ( -3.417 1.965 -0.714) 4.006 11.993 ( 0.685 -3.056 3.385) 4.612 11.993 ( 0.685 3.056 3.385) 4.612 12.082 ( -0.011 -2.194 -3.124) 3.818 12.082 ( -0.011 2.194 -3.124) 3.818 12.104 ( 3.891 -4.851 -0.493) 6.238 12.104 ( 3.891 4.851 -0.493) 6.238 12.242 ( -4.795 -0.607 3.480) 5.956 12.242 ( -4.795 0.607 3.480) 5.956 12.360 ( 0.009 -6.724 4.808) 8.267 12.360 ( 0.009 6.724 4.808) 8.267 12.438 ( -0.112 -7.604 2.248) 7.930 12.438 ( -0.112 7.604 2.248) 7.930 12.687 ( 2.106 -4.762 -2.936) 5.978 12.687 ( 2.106 4.762 -2.936) 5.978 12.843 ( -3.423 -4.810 -0.202) 5.907 12.843 ( -3.423 4.810 -0.202) 5.907 12.960 ( -0.493 -3.770 -0.271) 3.811 12.960 ( -0.493 3.770 -0.271) 3.811 13.008 ( 3.195 -5.051 -0.394) 5.989 13.008 ( 3.195 5.051 -0.394) 5.989 13.108 ( -4.858 -2.154 3.548) 6.389 13.108 ( -4.858 2.154 3.548) 6.389 13.176 ( -6.964 -2.022 -3.529) 8.065 13.176 ( -6.964 2.022 -3.529) 8.065 13.350 ( 1.559 -2.363 3.911) 4.828 13.350 ( 1.559 2.363 3.911) 4.828 13.490 ( 3.042 -2.729 -0.770) 4.158 13.490 ( 3.042 2.729 -0.770) 4.158 13.670 ( 3.971 -1.766 -1.941) 4.760 13.670 ( 3.971 1.766 -1.941) 4.760 13.836 ( 2.250 -2.788 2.613) 4.435 13.836 ( 2.250 2.788 2.613) 4.435 13.964 ( 3.401 -2.626 4.188) 6.001 13.964 ( 3.401 2.626 4.188) 6.001 14.100 ( 0.582 -4.532 4.964) 6.747 14.100 ( 0.582 4.532 4.964) 6.747 14.477 ( 5.283 -4.099 2.967) 7.315 14.477 ( 5.283 4.099 2.967) 7.315 14.541 ( -0.740 -4.746 -0.746) 4.861 14.541 ( -0.740 4.746 -0.746) 4.861 14.862 ( -4.122 -3.089 -4.153) 6.617 14.862 ( -4.122 3.089 -4.153) 6.617 15.057 ( -1.989 -1.005 3.462) 4.117 15.057 ( -1.989 1.005 3.462) 4.117 15.123 ( -4.087 -1.302 2.200) 4.821 15.123 ( -4.087 1.302 2.200) 4.821 15.456 ( 2.114 -5.981 -5.634) 8.484 15.456 ( 2.114 5.981 -5.634) 8.484 15.713 ( -0.438 -3.065 6.842) 7.510 15.713 ( -0.438 3.065 6.842) 7.510 16.010 ( -5.379 -4.656 1.236) 7.221 16.010 ( -5.379 4.656 1.236) 7.221 16.200 ( 3.202 -0.651 -4.579) 5.626 16.200 ( 3.202 0.651 -4.579) 5.626 16.367 ( 1.081 -1.692 0.264) 2.025 16.367 ( 1.081 1.692 0.264) 2.025 16.494 ( 2.785 -2.489 -3.114) 4.863 16.494 ( 2.785 2.489 -3.114) 4.863 16.721 ( 0.487 -3.466 7.370) 8.159 16.721 ( 0.487 3.466 7.370) 8.159 17.155 ( 3.482 -3.921 -1.294) 5.401 17.155 ( 3.482 3.921 -1.294) 5.401 17.319 ( -0.669 -0.335 6.380) 6.423 17.319 ( -0.669 0.335 6.380) 6.423 17.692 ( 0.996 -4.378 -2.428) 5.104 17.692 ( 0.996 4.378 -2.428) 5.104 18.068 ( 1.826 -6.074 -6.945) 9.405 18.068 ( 1.826 6.074 -6.945) 9.405 18.526 ( 1.854 -1.464 -1.496) 2.796 18.526 ( 1.854 1.464 -1.496) 2.796 19.796 ( -0.552 -6.357 -2.002) 6.688 19.796 ( -0.552 6.357 -2.002) 6.688 20.694 ( 3.151 -1.053 -1.727) 3.744 20.694 ( 3.151 1.053 -1.727) 3.744 20.743 ( 1.543 -4.057 -1.272) 4.523 20.743 ( 1.543 4.057 -1.272) 4.523 21.202 ( -3.520 -2.484 3.096) 5.306 21.202 ( -3.520 2.484 3.096) 5.306 21.265 ( -1.574 -1.502 0.680) 2.279 21.265 ( -1.574 1.502 0.680) 2.279 21.725 ( -3.639 -1.491 0.241) 3.940 21.725 ( -3.639 1.491 0.241) 3.940 22.253 ( -2.965 -5.460 -0.739) 6.257 22.253 ( -2.965 5.460 -0.739) 6.257 22.460 ( -7.043 -7.688 -2.983) 10.845 22.460 ( -7.043 7.688 -2.983) 10.845 25.105 ( 2.595 -0.384 4.310) 5.046 25.105 ( 2.595 0.384 4.310) 5.046 25.390 ( -3.482 -1.416 -0.869) 3.858 25.390 ( -3.482 1.416 -0.869) 3.858 29.001 ( 1.355 -0.529 1.487) 2.080 29.001 ( 1.355 0.529 1.487) 2.080 29.121 ( -1.412 -0.749 -1.070) 1.923 29.121 ( -1.412 0.749 -1.070) 1.923 29.890 ( 9.835 -1.387 2.868) 10.338 29.890 ( 9.835 1.387 2.868) 10.338 30.241 ( 3.814 -4.874 -3.550) 7.134 30.241 ( 3.814 4.874 -3.550) 7.134 34.372 ( -1.838 -1.723 -0.135) 2.523 34.372 ( -1.838 1.723 -0.135) 2.523 34.427 ( -2.474 -0.753 -0.979) 2.765 34.427 ( -2.474 0.753 -0.979) 2.765 97.691 ( 1.646 -0.449 2.216) 2.797 97.691 ( 1.646 0.449 2.216) 2.797 97.858 ( -2.103 -0.124 -0.709) 2.222 97.858 ( -2.103 0.124 -0.709) 2.222 100.018 ( -0.655 -4.401 -0.178) 4.453 100.018 ( -0.655 4.401 -0.178) 4.453 100.226 ( -4.339 -0.011 -1.539) 4.603 100.226 ( -4.339 0.011 -1.539) 4.603 ======================= Grid point 85 (35/72) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( 29.722 -10.227 4.497) 31.752 3.712 ( 29.722 10.227 4.497) 31.752 3.884 ( 31.171 -8.410 13.427) 34.966 3.884 ( 31.171 8.410 13.427) 34.966 4.575 ( 2.146 -3.627 -5.504) 6.933 4.575 ( 2.146 3.627 -5.504) 6.933 4.771 ( -2.396 -7.119 -1.226) 7.611 4.771 ( -2.396 7.119 -1.226) 7.611 4.861 ( -10.680 -4.690 8.803) 14.613 4.861 ( -10.680 4.690 8.803) 14.613 5.002 ( -8.090 -1.863 5.872) 10.169 5.002 ( -8.090 1.863 5.872) 10.169 5.039 ( 5.595 -8.100 3.513) 10.453 5.039 ( 5.595 8.100 3.513) 10.453 5.219 ( 3.535 -3.059 1.475) 4.901 5.219 ( 3.535 3.059 1.475) 4.901 5.449 ( 3.234 -5.423 -0.632) 6.345 5.449 ( 3.234 5.423 -0.632) 6.345 5.562 ( -1.903 -3.325 4.111) 5.619 5.562 ( -1.903 3.325 4.111) 5.619 5.762 ( 0.309 -3.411 1.528) 3.750 5.762 ( 0.309 3.411 1.528) 3.750 5.840 ( -3.806 -2.349 2.228) 4.997 5.840 ( -3.806 2.349 2.228) 4.997 6.050 ( 2.818 -1.564 -0.658) 3.289 6.050 ( 2.818 1.564 -0.658) 3.289 6.155 ( -0.409 -5.593 -6.972) 8.948 6.155 ( -0.409 5.593 -6.972) 8.948 6.245 ( -3.529 -2.065 4.748) 6.266 6.245 ( -3.529 2.065 4.748) 6.266 6.416 ( 0.937 -3.078 1.319) 3.478 6.416 ( 0.937 3.078 1.319) 3.478 6.572 ( -2.934 -2.782 0.474) 4.071 6.572 ( -2.934 2.782 0.474) 4.071 6.674 ( 2.629 -9.857 5.823) 11.746 6.674 ( 2.629 9.857 5.823) 11.746 6.844 ( 0.622 -2.112 -1.697) 2.780 6.844 ( 0.622 2.112 -1.697) 2.780 7.040 ( 2.382 -4.619 3.368) 6.193 7.040 ( 2.382 4.619 3.368) 6.193 7.265 ( -2.832 -9.447 1.565) 9.986 7.265 ( -2.832 9.447 1.565) 9.986 7.352 ( -1.628 -6.473 2.788) 7.233 7.352 ( -1.628 6.473 2.788) 7.233 7.530 ( -7.193 -4.338 -8.540) 11.979 7.530 ( -7.193 4.338 -8.540) 11.979 7.759 ( -4.153 -3.295 -2.959) 6.071 7.759 ( -4.153 3.295 -2.959) 6.071 7.972 ( -5.078 -1.834 1.874) 5.715 7.972 ( -5.078 1.834 1.874) 5.715 8.102 ( -4.487 -11.573 3.594) 12.923 8.102 ( -4.487 11.573 3.594) 12.923 8.460 ( 2.673 -8.391 -1.900) 9.009 8.460 ( 2.673 8.391 -1.900) 9.009 8.644 ( 0.157 -5.183 -8.372) 9.848 8.644 ( 0.157 5.183 -8.372) 9.848 8.905 ( -4.203 -1.058 -7.289) 8.480 8.905 ( -4.203 1.058 -7.289) 8.480 9.041 ( -6.563 -5.419 -4.004) 9.406 9.041 ( -6.563 5.419 -4.004) 9.406 9.222 ( 8.005 -2.922 -5.112) 9.937 9.222 ( 8.005 2.922 -5.112) 9.937 9.315 ( 0.479 -0.616 1.028) 1.291 9.315 ( 0.479 0.616 1.028) 1.291 9.556 ( -3.389 -1.733 -4.593) 5.966 9.556 ( -3.389 1.733 -4.593) 5.966 9.633 ( 2.815 -6.088 -1.712) 6.922 9.633 ( 2.815 6.088 -1.712) 6.922 9.803 ( -2.121 -2.703 -1.869) 3.911 9.803 ( -2.121 2.703 -1.869) 3.911 9.859 ( -2.674 -2.588 0.088) 3.722 9.859 ( -2.674 2.588 0.088) 3.722 9.948 ( -1.103 -2.168 -4.792) 5.374 9.948 ( -1.103 2.168 -4.792) 5.374 10.113 ( 2.904 -5.109 -1.544) 6.076 10.113 ( 2.904 5.109 -1.544) 6.076 10.189 ( -0.182 -5.778 -1.874) 6.077 10.189 ( -0.182 5.778 -1.874) 6.077 10.235 ( 0.895 -4.459 -4.070) 6.103 10.235 ( 0.895 4.459 -4.070) 6.103 10.395 ( 1.654 -0.671 -4.380) 4.730 10.395 ( 1.654 0.671 -4.380) 4.730 10.770 ( -9.896 -4.852 -1.386) 11.109 10.770 ( -9.896 4.852 -1.386) 11.109 10.909 ( 0.894 -4.116 2.090) 4.702 10.909 ( 0.894 4.116 2.090) 4.702 10.982 ( 0.079 -3.317 10.275) 10.797 10.982 ( 0.079 3.317 10.275) 10.797 11.230 ( -2.302 -0.603 -3.143) 3.942 11.230 ( -2.302 0.603 -3.143) 3.942 11.361 ( -3.936 -1.106 -3.287) 5.246 11.361 ( -3.936 1.106 -3.287) 5.246 11.476 ( -2.848 -3.248 -2.370) 4.927 11.476 ( -2.848 3.248 -2.370) 4.927 11.626 ( 4.194 -1.098 -0.131) 4.338 11.626 ( 4.194 1.098 -0.131) 4.338 11.753 ( -0.188 -1.608 2.713) 3.159 11.753 ( -0.188 1.608 2.713) 3.159 11.816 ( 3.995 -3.101 3.348) 6.065 11.816 ( 3.995 3.101 3.348) 6.065 11.943 ( -6.067 -0.247 1.498) 6.254 11.943 ( -6.067 0.247 1.498) 6.254 12.062 ( -0.496 -2.593 -0.833) 2.768 12.062 ( -0.496 2.593 -0.833) 2.768 12.174 ( -0.331 -1.838 -1.291) 2.270 12.174 ( -0.331 1.838 -1.291) 2.270 12.206 ( 3.254 -6.330 -0.817) 7.164 12.206 ( 3.254 6.330 -0.817) 7.164 12.390 ( 1.962 -4.025 0.727) 4.537 12.390 ( 1.962 4.025 0.727) 4.537 12.432 ( 0.694 -7.002 -4.049) 8.118 12.432 ( 0.694 7.002 -4.049) 8.118 12.661 ( -2.621 -2.837 0.048) 3.862 12.661 ( -2.621 2.837 0.048) 3.862 12.788 ( -4.381 -1.589 1.041) 4.775 12.788 ( -4.381 1.589 1.041) 4.775 12.943 ( -0.720 -2.809 -1.452) 3.243 12.943 ( -0.720 2.809 -1.452) 3.243 13.004 ( -1.765 -0.940 -4.150) 4.606 13.004 ( -1.765 0.940 -4.150) 4.606 13.099 ( -2.783 -3.430 0.505) 4.446 13.099 ( -2.783 3.430 0.505) 4.446 13.142 ( 6.131 -1.241 7.407) 9.695 13.142 ( 6.131 1.241 7.407) 9.695 13.358 ( -1.311 -2.506 9.200) 9.625 13.358 ( -1.311 2.506 9.200) 9.625 13.570 ( 5.116 -4.454 -2.939) 7.392 13.570 ( 5.116 4.454 -2.939) 7.392 13.749 ( 3.821 -3.155 1.601) 5.207 13.749 ( 3.821 3.155 1.601) 5.207 13.897 ( 3.383 -1.847 1.144) 4.021 13.897 ( 3.383 1.847 1.144) 4.021 13.986 ( -0.954 -7.956 3.490) 8.740 13.986 ( -0.954 7.956 3.490) 8.740 14.182 ( 7.398 -2.909 2.732) 8.405 14.182 ( 7.398 2.909 2.732) 8.405 14.477 ( -5.401 -1.525 -2.419) 6.111 14.477 ( -5.401 1.525 -2.419) 6.111 14.556 ( 2.668 -2.473 2.821) 4.604 14.556 ( 2.668 2.473 2.821) 4.604 14.815 ( 1.352 -1.180 2.230) 2.862 14.815 ( 1.352 1.180 2.230) 2.862 14.918 ( -9.412 -2.119 6.511) 11.639 14.918 ( -9.412 2.119 6.511) 11.639 15.117 ( -0.399 -2.253 0.038) 2.288 15.117 ( -0.399 2.253 0.038) 2.288 15.434 ( -2.681 -5.327 -4.238) 7.317 15.434 ( -2.681 5.327 -4.238) 7.317 15.751 ( 2.912 -2.323 2.923) 4.735 15.751 ( 2.912 2.323 2.923) 4.735 15.890 ( -5.655 -3.442 0.180) 6.623 15.890 ( -5.655 3.442 0.180) 6.623 16.268 ( 2.867 -2.696 -0.040) 3.936 16.268 ( 2.867 2.696 -0.040) 3.936 16.384 ( 0.568 -1.701 -1.818) 2.554 16.384 ( 0.568 1.701 -1.818) 2.554 16.566 ( 4.223 -1.524 -1.787) 4.832 16.566 ( 4.223 1.524 -1.787) 4.832 16.713 ( -1.116 -3.591 7.038) 7.980 16.713 ( -1.116 3.591 7.038) 7.980 17.214 ( 1.920 -3.396 1.685) 4.249 17.214 ( 1.920 3.396 1.685) 4.249 17.312 ( 0.518 -1.539 0.584) 1.725 17.312 ( 0.518 1.539 0.584) 1.725 17.664 ( -2.667 -2.781 -0.483) 3.883 17.664 ( -2.667 2.781 -0.483) 3.883 18.141 ( 4.008 -3.279 -9.652) 10.954 18.141 ( 4.008 3.279 -9.652) 10.954 18.555 ( 1.044 -0.982 -1.563) 2.121 18.555 ( 1.044 0.982 -1.563) 2.121 19.791 ( -0.010 -3.194 -2.319) 3.947 19.791 ( -0.010 3.194 -2.319) 3.947 20.721 ( -0.074 -1.343 -2.186) 2.567 20.721 ( -0.074 1.343 -2.186) 2.567 20.807 ( 5.158 -0.916 1.003) 5.333 20.807 ( 5.158 0.916 1.003) 5.333 21.079 ( -7.163 -0.810 3.638) 8.075 21.079 ( -7.163 0.810 3.638) 8.075 21.254 ( -0.963 -3.511 0.179) 3.645 21.254 ( -0.963 3.511 0.179) 3.645 21.691 ( -0.316 -1.068 -0.004) 1.114 21.691 ( -0.316 1.068 -0.004) 1.114 22.207 ( -1.580 -4.049 -2.121) 4.836 22.207 ( -1.580 4.049 -2.121) 4.836 22.352 ( -3.938 -5.148 -1.186) 6.589 22.352 ( -3.938 5.148 -1.186) 6.589 25.166 ( 3.565 -0.393 2.519) 4.383 25.166 ( 3.565 0.393 2.519) 4.383 25.318 ( -3.975 -0.971 -0.086) 4.093 25.318 ( -3.975 0.971 -0.086) 4.093 29.030 ( 1.596 -0.198 0.595) 1.715 29.030 ( 1.596 0.198 0.595) 1.715 29.092 ( -1.547 -0.269 -0.768) 1.748 29.092 ( -1.547 0.269 -0.768) 1.748 30.063 ( 7.552 -1.868 1.521) 7.927 30.063 ( 7.552 1.868 1.521) 7.927 30.275 ( -0.098 -3.450 -1.651) 3.826 30.275 ( -0.098 3.450 -1.651) 3.826 34.349 ( -0.529 -1.409 -0.182) 1.516 34.349 ( -0.529 1.409 -0.182) 1.516 34.383 ( -1.981 -0.982 -0.674) 2.311 34.383 ( -1.981 0.982 -0.674) 2.311 97.728 ( 2.114 -0.319 1.236) 2.470 97.728 ( 2.114 0.319 1.236) 2.470 97.816 ( -2.296 -0.172 -0.242) 2.315 97.816 ( -2.296 0.172 -0.242) 2.315 100.024 ( 1.176 -2.665 -0.062) 2.914 100.024 ( 1.176 2.665 -0.062) 2.914 100.146 ( -3.805 -0.378 -0.945) 3.938 100.146 ( -3.805 0.378 -0.945) 3.938 ======================= Grid point 87 (36/72) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.140 ( 0.000 -0.000 -0.593) 0.593 4.140 ( 0.000 0.000 -0.593) 0.593 4.347 ( 0.000 -0.000 9.458) 9.458 4.347 ( 0.000 0.000 9.458) 9.458 4.467 ( -0.000 -0.000 14.280) 14.280 4.467 ( 0.000 0.000 14.280) 14.280 4.526 ( -0.000 0.000 5.890) 5.890 4.526 ( -0.000 0.000 5.890) 5.890 4.827 ( 0.000 -0.000 -0.614) 0.614 4.827 ( 0.000 0.000 -0.614) 0.614 4.942 ( 0.000 0.000 4.371) 4.371 4.942 ( 0.000 0.000 4.371) 4.371 4.986 ( 0.000 0.000 6.283) 6.283 4.986 ( 0.000 0.000 6.283) 6.283 5.390 ( -0.000 0.000 -2.996) 2.996 5.390 ( 0.000 0.000 -2.996) 2.996 5.405 ( -0.000 0.000 -3.589) 3.589 5.405 ( 0.000 0.000 -3.589) 3.589 5.566 ( -0.000 0.000 5.246) 5.246 5.566 ( 0.000 0.000 5.246) 5.246 5.696 ( 0.000 -0.000 -2.432) 2.432 5.696 ( 0.000 0.000 -2.432) 2.432 5.831 ( -0.000 0.000 4.591) 4.591 5.831 ( 0.000 0.000 4.591) 4.591 6.100 ( 0.000 -0.000 -6.351) 6.351 6.100 ( 0.000 0.000 -6.351) 6.351 6.144 ( 0.000 0.000 3.529) 3.529 6.144 ( 0.000 0.000 3.529) 3.529 6.286 ( -0.000 0.000 -4.736) 4.736 6.286 ( 0.000 0.000 -4.736) 4.736 6.329 ( -0.000 -0.000 -6.027) 6.027 6.329 ( 0.000 0.000 -6.027) 6.027 6.533 ( 0.000 0.000 -5.522) 5.522 6.533 ( 0.000 0.000 -5.522) 5.522 6.777 ( 0.000 -0.000 14.036) 14.036 6.777 ( -0.000 0.000 14.036) 14.036 6.815 ( -0.000 0.000 2.680) 2.680 6.815 ( 0.000 0.000 2.680) 2.680 7.014 ( -0.000 0.000 3.008) 3.008 7.014 ( -0.000 -0.000 3.008) 3.008 7.165 ( 0.000 -0.000 3.028) 3.028 7.165 ( 0.000 0.000 3.028) 3.028 7.447 ( -0.000 -0.000 -3.628) 3.628 7.447 ( 0.000 0.000 -3.628) 3.628 7.448 ( 0.000 -0.000 -4.226) 4.226 7.448 ( 0.000 0.000 -4.226) 4.226 7.810 ( 0.000 -0.000 8.151) 8.151 7.810 ( 0.000 0.000 8.151) 8.151 7.937 ( 0.000 -0.000 -3.406) 3.406 7.937 ( 0.000 0.000 -3.406) 3.406 8.088 ( -0.000 0.000 1.540) 1.540 8.088 ( 0.000 0.000 1.540) 1.540 8.449 ( -0.000 -0.000 -2.927) 2.927 8.449 ( 0.000 0.000 -2.927) 2.927 8.616 ( -0.000 -0.000 -1.068) 1.068 8.616 ( 0.000 0.000 -1.068) 1.068 8.807 ( 0.000 0.000 -7.239) 7.239 8.807 ( 0.000 0.000 -7.239) 7.239 8.967 ( 0.000 -0.000 -8.485) 8.485 8.967 ( 0.000 0.000 -8.485) 8.485 9.281 ( 0.000 0.000 5.665) 5.665 9.281 ( 0.000 0.000 5.665) 5.665 9.379 ( 0.000 0.000 -10.118) 10.118 9.379 ( 0.000 0.000 -10.118) 10.118 9.469 ( -0.000 -0.000 -1.858) 1.858 9.469 ( 0.000 0.000 -1.858) 1.858 9.732 ( 0.000 0.000 4.074) 4.074 9.732 ( -0.000 0.000 4.074) 4.074 9.769 ( 0.000 0.000 -0.365) 0.365 9.769 ( 0.000 0.000 -0.365) 0.365 9.786 ( -0.000 -0.000 -1.949) 1.949 9.786 ( 0.000 0.000 -1.949) 1.949 9.923 ( 0.000 0.000 -2.722) 2.722 9.923 ( 0.000 0.000 -2.722) 2.722 10.194 ( -0.000 -0.000 -6.649) 6.649 10.194 ( 0.000 0.000 -6.649) 6.649 10.227 ( 0.000 -0.000 -6.479) 6.479 10.227 ( 0.000 0.000 -6.479) 6.479 10.238 ( -0.000 -0.000 -7.043) 7.043 10.238 ( 0.000 0.000 -7.043) 7.043 10.407 ( 0.000 -0.000 -1.178) 1.178 10.407 ( 0.000 0.000 -1.178) 1.178 10.630 ( -0.000 -0.000 -3.377) 3.377 10.630 ( 0.000 0.000 -3.377) 3.377 10.926 ( 0.000 -0.000 4.775) 4.775 10.926 ( 0.000 0.000 4.775) 4.775 10.979 ( 0.000 -0.000 9.723) 9.723 10.979 ( 0.000 0.000 9.723) 9.723 11.190 ( 0.000 -0.000 -2.895) 2.895 11.190 ( 0.000 0.000 -2.895) 2.895 11.332 ( 0.000 -0.000 -3.904) 3.904 11.332 ( 0.000 0.000 -3.904) 3.904 11.436 ( 0.000 0.000 -4.213) 4.213 11.436 ( 0.000 0.000 -4.213) 4.213 11.693 ( -0.000 -0.000 1.939) 1.939 11.693 ( 0.000 0.000 1.939) 1.939 11.725 ( -0.000 -0.000 1.725) 1.725 11.725 ( 0.000 0.000 1.725) 1.725 11.864 ( 0.000 0.000 -0.281) 0.281 11.864 ( 0.000 0.000 -0.281) 0.281 11.897 ( 0.000 0.000 4.397) 4.397 11.897 ( 0.000 0.000 4.397) 4.397 12.046 ( -0.000 -0.000 0.374) 0.374 12.046 ( -0.000 0.000 0.374) 0.374 12.191 ( -0.000 -0.000 -3.350) 3.350 12.191 ( 0.000 0.000 -3.350) 3.350 12.211 ( 0.000 -0.000 1.376) 1.376 12.211 ( 0.000 0.000 1.376) 1.376 12.420 ( 0.000 -0.000 -6.136) 6.136 12.420 ( 0.000 0.000 -6.136) 6.136 12.452 ( 0.000 -0.000 -5.282) 5.282 12.452 ( 0.000 0.000 -5.282) 5.282 12.653 ( -0.000 -0.000 2.500) 2.500 12.653 ( -0.000 0.000 2.500) 2.500 12.706 ( 0.000 0.000 2.159) 2.159 12.706 ( 0.000 0.000 2.159) 2.159 12.913 ( 0.000 0.000 -3.216) 3.216 12.913 ( 0.000 0.000 -3.216) 3.216 13.034 ( 0.000 -0.000 -2.583) 2.583 13.034 ( 0.000 0.000 -2.583) 2.583 13.046 ( -0.000 -0.000 -0.304) 0.304 13.046 ( 0.000 0.000 -0.304) 0.304 13.221 ( 0.000 0.000 9.840) 9.840 13.221 ( 0.000 0.000 9.840) 9.840 13.324 ( -0.000 0.000 8.719) 8.719 13.324 ( 0.000 0.000 8.719) 8.719 13.633 ( -0.000 0.000 0.517) 0.517 13.633 ( 0.000 0.000 0.517) 0.517 13.797 ( -0.000 0.000 2.796) 2.796 13.797 ( 0.000 0.000 2.796) 2.796 13.912 ( 0.000 0.000 3.028) 3.028 13.912 ( 0.000 -0.000 3.028) 3.028 13.997 ( 0.000 0.000 -0.087) 0.087 13.997 ( 0.000 0.000 -0.087) 0.087 14.289 ( -0.000 0.000 -1.190) 1.190 14.289 ( 0.000 -0.000 -1.190) 1.190 14.369 ( -0.000 0.000 -3.013) 3.013 14.369 ( 0.000 0.000 -3.013) 3.013 14.627 ( -0.000 0.000 6.240) 6.240 14.627 ( 0.000 0.000 6.240) 6.240 14.768 ( -0.000 0.000 4.462) 4.462 14.768 ( 0.000 0.000 4.462) 4.462 14.866 ( 0.000 0.000 6.203) 6.203 14.866 ( 0.000 0.000 6.203) 6.203 15.091 ( 0.000 0.000 0.044) 0.044 15.091 ( 0.000 0.000 0.044) 0.044 15.409 ( -0.000 0.000 -3.685) 3.685 15.409 ( 0.000 0.000 -3.685) 3.685 15.778 ( 0.000 0.000 0.226) 0.226 15.778 ( 0.000 0.000 0.226) 0.226 15.833 ( 0.000 0.000 0.820) 0.820 15.833 ( 0.000 0.000 0.820) 0.820 16.297 ( 0.000 0.000 2.494) 2.494 16.297 ( 0.000 0.000 2.494) 2.494 16.389 ( 0.000 0.000 -3.486) 3.486 16.389 ( 0.000 0.000 -3.486) 3.486 16.621 ( -0.000 -0.000 -3.057) 3.057 16.621 ( 0.000 0.000 -3.057) 3.057 16.693 ( 0.000 0.000 8.347) 8.347 16.693 ( 0.000 0.000 8.347) 8.347 17.226 ( 0.000 0.000 4.381) 4.381 17.226 ( 0.000 0.000 4.381) 4.381 17.328 ( 0.000 0.000 -3.269) 3.269 17.328 ( 0.000 0.000 -3.269) 3.269 17.630 ( 0.000 0.000 0.196) 0.196 17.630 ( 0.000 0.000 0.196) 0.196 18.184 ( 0.000 0.000 -10.249) 10.249 18.184 ( 0.000 0.000 -10.249) 10.249 18.565 ( 0.000 0.000 -1.498) 1.498 18.565 ( 0.000 0.000 -1.498) 1.498 19.791 ( 0.000 0.000 -2.502) 2.502 19.791 ( 0.000 0.000 -2.502) 2.502 20.718 ( 0.000 0.000 -1.858) 1.858 20.718 ( 0.000 0.000 -1.858) 1.858 20.898 ( 0.000 0.000 2.346) 2.346 20.898 ( 0.000 0.000 2.346) 2.346 20.969 ( -0.000 0.000 2.405) 2.405 20.969 ( 0.000 0.000 2.405) 2.405 21.241 ( 0.000 0.000 0.050) 0.050 21.241 ( 0.000 0.000 0.050) 0.050 21.692 ( 0.000 0.000 0.221) 0.221 21.692 ( 0.000 0.000 0.221) 0.221 22.193 ( -0.000 -0.000 -2.869) 2.869 22.193 ( 0.000 0.000 -2.869) 2.869 22.313 ( 0.000 0.000 -0.286) 0.286 22.313 ( 0.000 0.000 -0.286) 0.286 25.238 ( -0.000 0.000 0.811) 0.811 25.238 ( 0.000 0.000 0.811) 0.811 25.242 ( -0.000 -0.000 1.318) 1.318 25.242 ( 0.000 -0.000 1.318) 1.318 29.060 ( -0.000 0.000 -0.116) 0.116 29.060 ( 0.000 0.000 -0.116) 0.116 29.063 ( -0.000 0.000 -0.256) 0.256 29.063 ( 0.000 0.000 -0.256) 0.256 30.150 ( -0.000 0.000 0.194) 0.194 30.150 ( 0.000 0.000 0.194) 0.194 30.260 ( -0.000 0.000 -0.114) 0.114 30.260 ( -0.000 0.000 -0.114) 0.114 34.349 ( -0.000 -0.000 -0.443) 0.443 34.349 ( 0.000 0.000 -0.443) 0.443 34.358 ( 0.000 0.000 -0.341) 0.341 34.358 ( 0.000 0.000 -0.341) 0.341 97.769 ( -0.000 0.000 0.379) 0.379 97.769 ( 0.000 -0.000 0.379) 0.379 97.772 ( -0.000 0.000 0.464) 0.464 97.772 ( 0.000 0.000 0.464) 0.464 100.048 ( -0.000 -0.000 -0.245) 0.245 100.048 ( 0.000 0.000 -0.245) 0.245 100.097 ( 0.000 -0.000 -0.580) 0.580 100.097 ( 0.000 0.000 -0.580) 0.580 ======================= Grid point 110 (37/72) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 0.000 0.000 43.943) 43.943 1.709 ( 0.000 0.000 46.394) 46.394 2.847 ( 0.000 0.000 68.927) 68.927 3.214 ( 0.000 0.000 7.965) 7.965 3.267 ( 0.000 0.000 -41.124) 41.124 3.510 ( 0.000 0.000 -27.019) 27.019 3.600 ( 0.000 0.000 32.238) 32.238 3.734 ( 0.000 0.000 23.635) 23.635 3.793 ( 0.000 0.000 17.680) 17.680 4.372 ( 0.000 0.000 -11.543) 11.543 4.453 ( 0.000 0.000 -31.671) 31.671 4.573 ( 0.000 0.000 -27.199) 27.199 4.799 ( 0.000 0.000 -19.669) 19.669 5.008 ( 0.000 0.000 1.359) 1.359 5.213 ( 0.000 0.000 -6.151) 6.151 5.438 ( 0.000 0.000 -36.233) 36.233 5.530 ( 0.000 0.000 6.139) 6.139 5.548 ( 0.000 0.000 20.816) 20.816 5.677 ( 0.000 0.000 16.769) 16.769 5.685 ( 0.000 0.000 0.834) 0.834 5.706 ( 0.000 0.000 4.333) 4.333 5.863 ( 0.000 0.000 -6.148) 6.148 5.964 ( 0.000 0.000 6.010) 6.010 5.966 ( 0.000 0.000 5.270) 5.270 5.988 ( 0.000 0.000 -4.207) 4.207 6.083 ( 0.000 0.000 18.515) 18.515 6.304 ( 0.000 0.000 -2.430) 2.430 6.307 ( 0.000 0.000 1.088) 1.088 6.764 ( 0.000 0.000 0.486) 0.486 6.830 ( 0.000 0.000 5.224) 5.224 6.842 ( 0.000 0.000 4.197) 4.197 6.848 ( 0.000 0.000 3.672) 3.672 6.862 ( 0.000 0.000 1.248) 1.248 6.868 ( 0.000 0.000 -3.080) 3.080 6.965 ( 0.000 0.000 17.138) 17.138 7.003 ( 0.000 0.000 -6.097) 6.097 7.043 ( 0.000 0.000 -10.734) 10.734 7.123 ( 0.000 0.000 -8.201) 8.201 7.306 ( 0.000 0.000 -12.251) 12.251 7.397 ( 0.000 0.000 3.946) 3.946 7.541 ( 0.000 0.000 18.034) 18.034 7.587 ( 0.000 0.000 25.013) 25.013 7.595 ( 0.000 0.000 7.568) 7.568 7.678 ( 0.000 0.000 15.845) 15.845 7.696 ( 0.000 0.000 0.743) 0.743 7.762 ( 0.000 0.000 -3.902) 3.902 7.948 ( 0.000 0.000 14.221) 14.221 8.075 ( 0.000 0.000 -14.450) 14.450 8.094 ( 0.000 0.000 -13.512) 13.512 8.123 ( 0.000 0.000 -1.776) 1.776 8.179 ( 0.000 0.000 -6.385) 6.385 8.245 ( 0.000 0.000 -0.994) 0.994 8.353 ( 0.000 0.000 8.030) 8.030 8.522 ( 0.000 0.000 -5.956) 5.956 8.537 ( 0.000 0.000 -9.077) 9.077 8.567 ( 0.000 0.000 -15.062) 15.062 8.675 ( 0.000 0.000 -8.748) 8.748 8.681 ( 0.000 0.000 0.802) 0.802 8.795 ( 0.000 0.000 -20.830) 20.830 8.874 ( 0.000 0.000 -12.191) 12.191 9.117 ( 0.000 0.000 1.150) 1.150 9.169 ( 0.000 0.000 -15.283) 15.283 9.252 ( 0.000 0.000 -7.225) 7.225 9.355 ( 0.000 0.000 -7.942) 7.942 9.490 ( 0.000 0.000 -9.740) 9.740 9.574 ( 0.000 0.000 -30.059) 30.059 9.664 ( 0.000 0.000 3.813) 3.813 9.669 ( 0.000 0.000 1.356) 1.356 9.692 ( 0.000 0.000 -1.005) 1.005 9.772 ( 0.000 0.000 -5.520) 5.520 9.811 ( 0.000 0.000 4.581) 4.581 9.851 ( 0.000 0.000 2.374) 2.374 9.919 ( 0.000 0.000 -0.795) 0.795 10.061 ( 0.000 0.000 -3.906) 3.906 10.243 ( 0.000 0.000 6.876) 6.876 10.254 ( 0.000 0.000 6.003) 6.003 10.393 ( 0.000 0.000 1.018) 1.018 10.468 ( 0.000 0.000 2.316) 2.316 10.492 ( 0.000 0.000 9.867) 9.867 10.520 ( 0.000 0.000 9.826) 9.826 10.523 ( 0.000 0.000 -0.034) 0.034 10.625 ( 0.000 0.000 -5.937) 5.937 10.671 ( 0.000 0.000 3.781) 3.781 10.690 ( 0.000 0.000 -6.021) 6.021 10.730 ( 0.000 0.000 -6.830) 6.830 10.893 ( 0.000 0.000 9.713) 9.713 10.922 ( 0.000 0.000 10.994) 10.994 10.924 ( 0.000 0.000 -2.975) 2.975 11.087 ( 0.000 0.000 3.748) 3.748 11.125 ( 0.000 0.000 10.969) 10.969 11.186 ( 0.000 0.000 -2.568) 2.568 11.213 ( 0.000 0.000 6.233) 6.233 11.400 ( 0.000 0.000 -3.890) 3.890 11.402 ( 0.000 0.000 -3.525) 3.525 11.436 ( 0.000 0.000 4.430) 4.430 11.609 ( 0.000 0.000 9.163) 9.163 11.649 ( 0.000 0.000 -2.149) 2.149 11.724 ( 0.000 0.000 -3.105) 3.105 11.812 ( 0.000 0.000 -7.978) 7.978 11.842 ( 0.000 0.000 -3.762) 3.762 11.903 ( 0.000 0.000 4.570) 4.570 11.924 ( 0.000 0.000 10.705) 10.705 12.031 ( 0.000 0.000 -0.639) 0.639 12.127 ( 0.000 0.000 -5.045) 5.045 12.191 ( 0.000 0.000 -2.216) 2.216 12.204 ( 0.000 0.000 -9.331) 9.331 12.357 ( 0.000 0.000 14.171) 14.171 12.392 ( 0.000 0.000 3.292) 3.292 12.483 ( 0.000 0.000 4.565) 4.565 12.562 ( 0.000 0.000 -3.269) 3.269 12.655 ( 0.000 0.000 -1.292) 1.292 12.666 ( 0.000 0.000 6.251) 6.251 12.861 ( 0.000 0.000 0.240) 0.240 12.861 ( 0.000 0.000 -3.712) 3.712 12.946 ( 0.000 0.000 2.603) 2.603 12.946 ( 0.000 0.000 2.636) 2.636 12.993 ( 0.000 0.000 0.313) 0.313 13.020 ( 0.000 0.000 3.522) 3.522 13.035 ( 0.000 0.000 -3.493) 3.493 13.051 ( 0.000 0.000 1.314) 1.314 13.077 ( 0.000 0.000 6.690) 6.690 13.136 ( 0.000 0.000 -1.001) 1.001 13.235 ( 0.000 0.000 -5.807) 5.807 13.273 ( 0.000 0.000 -0.072) 0.072 13.317 ( 0.000 0.000 3.922) 3.922 13.482 ( 0.000 0.000 -2.461) 2.461 13.524 ( 0.000 0.000 -9.847) 9.847 13.555 ( 0.000 0.000 -9.303) 9.303 13.721 ( 0.000 0.000 0.177) 0.177 13.732 ( 0.000 0.000 -3.017) 3.017 13.752 ( 0.000 0.000 1.488) 1.488 13.776 ( 0.000 0.000 7.065) 7.065 13.916 ( 0.000 0.000 5.345) 5.345 14.008 ( 0.000 0.000 3.909) 3.909 14.120 ( 0.000 0.000 2.670) 2.670 14.212 ( 0.000 0.000 1.291) 1.291 14.293 ( 0.000 0.000 -4.012) 4.012 14.380 ( 0.000 0.000 9.796) 9.796 14.432 ( 0.000 0.000 -5.983) 5.983 14.537 ( 0.000 0.000 -0.574) 0.574 14.649 ( 0.000 0.000 10.508) 10.508 14.851 ( 0.000 0.000 12.235) 12.235 14.992 ( 0.000 0.000 -1.256) 1.256 15.019 ( 0.000 0.000 -7.778) 7.778 15.061 ( 0.000 0.000 1.658) 1.658 15.372 ( 0.000 0.000 -6.839) 6.839 15.451 ( 0.000 0.000 1.803) 1.803 15.575 ( 0.000 0.000 -0.197) 0.197 15.660 ( 0.000 0.000 -5.796) 5.796 15.688 ( 0.000 0.000 -8.377) 8.377 15.834 ( 0.000 0.000 0.788) 0.788 15.916 ( 0.000 0.000 -2.844) 2.844 16.088 ( 0.000 0.000 4.832) 4.832 16.250 ( 0.000 0.000 7.931) 7.931 16.383 ( 0.000 0.000 3.946) 3.946 16.399 ( 0.000 0.000 -11.939) 11.939 16.423 ( 0.000 0.000 1.516) 1.516 16.517 ( 0.000 0.000 -1.119) 1.119 16.533 ( 0.000 0.000 11.932) 11.932 16.912 ( 0.000 0.000 8.827) 8.827 16.966 ( 0.000 0.000 -0.944) 0.944 17.122 ( 0.000 0.000 7.004) 7.004 17.190 ( 0.000 0.000 4.384) 4.384 17.414 ( 0.000 0.000 -5.886) 5.886 17.681 ( 0.000 0.000 -6.489) 6.489 17.887 ( 0.000 0.000 -18.128) 18.128 18.044 ( 0.000 0.000 23.341) 23.341 18.431 ( 0.000 0.000 1.842) 1.842 18.458 ( 0.000 0.000 -0.163) 0.163 18.817 ( 0.000 0.000 -15.149) 15.149 19.553 ( 0.000 0.000 1.395) 1.395 19.648 ( 0.000 0.000 -3.334) 3.334 20.348 ( 0.000 0.000 0.069) 0.069 20.358 ( 0.000 0.000 -0.385) 0.385 20.518 ( 0.000 0.000 -1.795) 1.795 20.557 ( 0.000 0.000 -2.600) 2.600 21.173 ( 0.000 0.000 2.935) 2.935 21.310 ( 0.000 0.000 -3.486) 3.486 21.386 ( 0.000 0.000 1.090) 1.090 21.446 ( 0.000 0.000 -2.271) 2.271 22.158 ( 0.000 0.000 2.691) 2.691 22.196 ( 0.000 0.000 2.053) 2.053 22.244 ( 0.000 0.000 -1.365) 1.365 22.294 ( 0.000 0.000 -2.727) 2.727 22.557 ( 0.000 0.000 5.370) 5.370 22.825 ( 0.000 0.000 -7.892) 7.892 25.150 ( 0.000 0.000 7.559) 7.559 25.384 ( 0.000 0.000 -4.310) 4.310 25.476 ( 0.000 0.000 1.250) 1.250 25.535 ( 0.000 0.000 -1.395) 1.395 28.977 ( 0.000 0.000 2.443) 2.443 29.060 ( 0.000 0.000 -2.388) 2.388 29.200 ( 0.000 0.000 -0.171) 0.171 29.219 ( 0.000 0.000 -0.870) 0.870 29.579 ( 0.000 0.000 5.419) 5.419 29.601 ( 0.000 0.000 5.743) 5.743 29.748 ( 0.000 0.000 -3.310) 3.310 29.784 ( 0.000 0.000 -3.407) 3.407 34.401 ( 0.000 0.000 1.415) 1.415 34.470 ( 0.000 0.000 -1.895) 1.895 34.501 ( 0.000 0.000 -1.089) 1.089 34.503 ( 0.000 0.000 -0.962) 0.962 97.714 ( 0.000 0.000 5.212) 5.212 97.875 ( 0.000 0.000 1.083) 1.083 97.884 ( 0.000 0.000 -3.259) 3.259 97.917 ( 0.000 0.000 -0.890) 0.890 99.916 ( 0.000 0.000 3.600) 3.600 100.083 ( 0.000 0.000 -4.607) 4.607 100.287 ( 0.000 0.000 0.695) 0.695 100.382 ( 0.000 0.000 -4.393) 4.393 ======================= Grid point 111 (38/72) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 19.161 0.000 39.033) 43.483 1.896 ( 20.186 0.000 38.242) 43.243 3.220 ( 32.811 0.000 55.818) 64.748 3.358 ( 10.298 0.000 -33.333) 34.888 3.375 ( 10.790 0.000 -20.159) 22.865 3.428 ( 4.284 0.000 10.368) 11.218 3.758 ( 6.309 0.000 15.422) 16.663 3.824 ( 15.876 0.000 20.339) 25.802 3.925 ( 10.177 0.000 19.124) 21.663 4.411 ( 4.132 0.000 -10.852) 11.612 4.485 ( 3.684 0.000 -27.506) 27.751 4.590 ( 0.887 0.000 -23.188) 23.205 4.843 ( 4.398 0.000 -17.979) 18.509 5.086 ( 6.588 0.000 -1.013) 6.666 5.234 ( 2.009 0.000 -5.362) 5.726 5.456 ( 3.211 0.000 -27.438) 27.625 5.514 ( 0.824 0.000 13.397) 13.423 5.668 ( 8.880 0.000 13.636) 16.273 5.703 ( 2.026 0.000 -0.009) 2.026 5.736 ( 2.144 0.000 3.164) 3.822 5.755 ( 7.870 0.000 16.403) 18.193 5.923 ( 2.481 0.000 -0.241) 2.492 5.965 ( -1.116 0.000 -6.138) 6.238 5.988 ( 1.418 0.000 9.273) 9.381 5.996 ( 3.387 0.000 7.772) 8.478 6.147 ( 6.261 0.000 16.420) 17.573 6.251 ( -3.015 0.000 -3.634) 4.722 6.334 ( 0.749 0.000 0.552) 0.930 6.696 ( -9.566 0.000 14.336) 17.235 6.712 ( -11.336 0.000 7.324) 13.497 6.723 ( -6.930 0.000 4.491) 8.258 6.810 ( -4.710 0.000 -4.116) 6.255 6.814 ( -1.458 0.000 -3.065) 3.395 6.851 ( -2.240 0.000 -2.699) 3.507 6.927 ( -1.391 0.000 6.220) 6.374 7.045 ( 2.636 0.000 -3.487) 4.372 7.114 ( -6.203 0.000 -4.628) 7.739 7.133 ( 0.623 0.000 -9.863) 9.882 7.231 ( 1.408 0.000 0.378) 1.458 7.321 ( -10.723 0.000 19.831) 22.545 7.487 ( -11.805 0.000 6.149) 13.310 7.524 ( -4.541 0.000 14.626) 15.315 7.527 ( 1.469 0.000 4.713) 4.936 7.553 ( -3.358 0.000 8.021) 8.695 7.763 ( 4.873 0.000 -7.881) 9.266 7.807 ( -3.029 0.000 -5.171) 5.993 7.875 ( -17.232 0.000 -13.646) 21.980 7.882 ( -15.903 0.000 -11.584) 19.675 7.986 ( -0.179 0.000 6.299) 6.302 8.110 ( -9.491 0.000 -13.409) 16.427 8.123 ( 2.778 0.000 1.883) 3.356 8.213 ( 0.042 0.000 -0.321) 0.323 8.440 ( -6.718 0.000 -13.352) 14.947 8.456 ( 6.134 0.000 4.971) 7.895 8.510 ( -2.138 0.000 -13.268) 13.439 8.579 ( 6.812 0.000 -6.439) 9.373 8.700 ( -4.375 0.000 -14.601) 15.242 8.756 ( 0.467 0.000 -5.835) 5.854 8.897 ( 8.913 0.000 -8.857) 12.566 8.908 ( 6.335 0.000 0.334) 6.344 9.068 ( -0.982 0.000 -0.769) 1.247 9.150 ( -3.757 0.000 -16.374) 16.799 9.265 ( -5.229 0.000 -5.126) 7.323 9.300 ( 0.738 0.000 -4.689) 4.747 9.388 ( -11.122 0.000 -14.378) 18.178 9.544 ( 0.308 0.000 -9.519) 9.524 9.655 ( -0.367 0.000 4.501) 4.516 9.710 ( 0.730 0.000 -0.958) 1.205 9.750 ( 3.557 0.000 0.433) 3.584 9.801 ( 1.405 0.000 2.302) 2.697 9.859 ( -1.927 0.000 -3.987) 4.428 9.871 ( 6.420 0.000 2.227) 6.795 9.920 ( 1.605 0.000 -2.732) 3.168 9.938 ( -2.729 0.000 -2.442) 3.662 10.218 ( -5.307 0.000 1.710) 5.576 10.250 ( -2.337 0.000 -1.403) 2.726 10.256 ( -4.289 0.000 2.865) 5.158 10.323 ( -6.484 0.000 2.301) 6.881 10.411 ( -8.411 0.000 0.997) 8.470 10.455 ( -9.309 0.000 1.559) 9.439 10.574 ( -5.454 0.000 -3.753) 6.620 10.598 ( -2.092 0.000 -4.794) 5.231 10.694 ( 8.622 0.000 -2.154) 8.887 10.839 ( 9.100 0.000 5.862) 10.825 10.896 ( 8.806 0.000 6.899) 11.187 10.927 ( 4.219 0.000 6.313) 7.593 10.991 ( 6.601 0.000 -4.205) 7.826 11.050 ( 8.455 0.000 9.392) 12.637 11.087 ( 0.204 0.000 1.836) 1.847 11.213 ( 7.376 0.000 7.603) 10.593 11.250 ( 3.867 0.000 4.945) 6.277 11.302 ( 6.149 0.000 4.076) 7.377 11.318 ( 3.775 0.000 0.847) 3.868 11.499 ( 7.478 0.000 -3.564) 8.284 11.511 ( 2.725 0.000 5.059) 5.747 11.619 ( -3.267 0.000 -0.268) 3.278 11.645 ( 3.767 0.000 4.991) 6.253 11.678 ( -2.349 0.000 -5.080) 5.597 11.785 ( -2.208 0.000 -2.574) 3.391 11.892 ( 5.974 0.000 -2.562) 6.500 11.934 ( 1.568 0.000 3.803) 4.113 11.967 ( 4.384 0.000 9.532) 10.492 11.993 ( -3.554 0.000 -1.519) 3.865 12.086 ( -0.922 0.000 -4.302) 4.399 12.163 ( -2.089 0.000 -5.455) 5.841 12.262 ( -6.732 0.000 0.424) 6.746 12.282 ( 0.734 0.000 -1.756) 1.903 12.336 ( -3.125 0.000 7.999) 8.588 12.430 ( -8.144 0.000 -0.946) 8.199 12.474 ( -3.088 0.000 3.035) 4.330 12.582 ( -8.797 0.000 6.134) 10.724 12.617 ( -3.507 0.000 2.692) 4.421 12.823 ( -1.431 0.000 -3.329) 3.624 12.867 ( 0.784 0.000 0.020) 0.785 12.912 ( -2.966 0.000 2.099) 3.633 12.943 ( -0.276 0.000 -0.663) 0.718 12.956 ( -4.341 0.000 0.636) 4.387 13.029 ( -0.358 0.000 0.068) 0.364 13.030 ( -0.514 0.000 -2.690) 2.739 13.077 ( 0.761 0.000 2.344) 2.465 13.081 ( -3.188 0.000 0.251) 3.198 13.191 ( 0.732 0.000 -4.562) 4.621 13.238 ( 5.502 0.000 4.960) 7.408 13.244 ( 0.542 0.000 0.303) 0.621 13.346 ( 6.173 0.000 0.917) 6.241 13.488 ( -9.752 0.000 1.023) 9.806 13.534 ( 0.730 0.000 -2.058) 2.183 13.567 ( 1.083 0.000 -4.026) 4.169 13.652 ( -3.818 0.000 -4.694) 6.050 13.660 ( -2.743 0.000 2.205) 3.519 13.770 ( -7.513 0.000 -1.193) 7.607 13.854 ( 8.856 0.000 -3.687) 9.593 13.948 ( 4.057 0.000 2.843) 4.953 13.961 ( -7.920 0.000 3.054) 8.488 14.117 ( 6.505 0.000 2.396) 6.932 14.206 ( 8.417 0.000 1.558) 8.560 14.354 ( -4.609 0.000 1.613) 4.883 14.423 ( 0.655 0.000 -3.896) 3.951 14.450 ( 0.119 0.000 2.225) 2.228 14.500 ( -3.880 0.000 -3.098) 4.965 14.640 ( 5.865 0.000 6.379) 8.665 14.879 ( 2.779 0.000 10.791) 11.143 14.890 ( -2.001 0.000 -2.665) 3.332 15.072 ( 2.049 0.000 -2.837) 3.499 15.129 ( 4.146 0.000 1.282) 4.340 15.320 ( -4.654 0.000 -6.177) 7.734 15.427 ( -1.432 0.000 5.068) 5.267 15.545 ( -0.144 0.000 2.919) 2.923 15.707 ( 4.823 0.000 -4.514) 6.606 15.713 ( 1.073 0.000 -8.195) 8.265 15.973 ( 4.655 0.000 -0.735) 4.712 16.007 ( 11.086 0.000 -3.564) 11.645 16.058 ( -2.890 0.000 4.468) 5.321 16.189 ( -4.700 0.000 6.560) 8.070 16.335 ( -7.098 0.000 0.375) 7.108 16.368 ( -3.347 0.000 -11.679) 12.149 16.429 ( 4.429 0.000 4.755) 6.498 16.495 ( 2.483 0.000 7.901) 8.281 16.656 ( 6.055 0.000 3.999) 7.256 16.912 ( 0.220 0.000 10.237) 10.239 17.029 ( 6.240 0.000 -4.737) 7.835 17.114 ( -1.375 0.000 6.037) 6.192 17.183 ( 0.193 0.000 4.492) 4.496 17.420 ( 0.790 0.000 -5.894) 5.947 17.661 ( -1.967 0.000 -5.872) 6.193 17.880 ( -0.501 0.000 -17.434) 17.441 17.934 ( -9.474 0.000 20.100) 22.220 18.415 ( -16.079 0.000 -2.000) 16.203 18.443 ( 1.150 0.000 1.531) 1.915 18.492 ( -8.035 0.000 0.587) 8.056 19.598 ( 3.390 0.000 2.468) 4.193 19.840 ( 7.213 0.000 -12.468) 14.404 20.418 ( 6.592 0.000 0.301) 6.599 20.472 ( 7.892 0.000 -3.600) 8.674 20.569 ( 8.383 0.000 -2.026) 8.624 20.581 ( 2.655 0.000 -1.793) 3.204 21.130 ( -4.064 0.000 2.311) 4.675 21.242 ( -5.227 0.000 -3.228) 6.144 21.424 ( 2.465 0.000 1.235) 2.757 21.458 ( 1.084 0.000 -0.821) 1.360 22.099 ( -5.979 0.000 1.932) 6.284 22.110 ( -8.862 0.000 3.744) 9.620 22.211 ( -2.384 0.000 -1.267) 2.700 22.272 ( -2.194 0.000 -2.605) 3.405 22.527 ( -2.843 0.000 4.607) 5.414 22.774 ( -4.961 0.000 -7.511) 9.002 25.153 ( 0.265 0.000 7.235) 7.240 25.377 ( -0.701 0.000 -4.121) 4.180 25.387 ( -7.031 0.000 5.682) 9.040 25.512 ( -2.174 0.000 -1.885) 2.878 28.982 ( 0.527 0.000 2.388) 2.445 29.065 ( 0.403 0.000 -2.329) 2.364 29.155 ( -4.304 0.000 2.775) 5.121 29.189 ( -1.217 0.000 -0.435) 1.293 29.642 ( 5.992 0.000 5.534) 8.157 29.649 ( 5.145 0.000 5.856) 7.795 29.829 ( 5.645 0.000 -4.057) 6.952 29.903 ( 10.995 0.000 -9.156) 14.308 34.392 ( -0.869 0.000 1.405) 1.652 34.464 ( -0.684 0.000 -2.147) 2.253 34.483 ( -1.737 0.000 -0.910) 1.961 34.489 ( -1.471 0.000 -0.980) 1.767 97.715 ( 0.112 0.000 4.928) 4.930 97.830 ( -3.541 0.000 3.236) 4.797 97.877 ( -0.690 0.000 -3.125) 3.201 97.904 ( -1.238 0.000 -1.143) 1.685 99.921 ( 0.494 0.000 3.579) 3.613 100.096 ( 0.775 0.000 -5.403) 5.458 100.278 ( -0.986 0.000 0.055) 0.988 100.347 ( -3.364 0.000 -3.546) 4.888 ======================= Grid point 112 (39/72) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( 30.044 0.000 29.994) 42.453 2.450 ( 34.984 0.000 25.480) 43.279 3.502 ( 12.102 0.000 -22.722) 25.744 3.585 ( 15.971 0.000 -30.282) 34.236 3.804 ( 23.641 0.000 10.447) 25.847 3.865 ( 20.470 0.000 25.761) 32.904 4.041 ( 19.703 0.000 8.662) 21.523 4.162 ( 18.142 0.000 17.980) 25.542 4.246 ( 32.194 0.000 30.367) 44.256 4.523 ( 6.447 0.000 -9.173) 11.212 4.612 ( 3.162 0.000 -14.058) 14.409 4.612 ( 9.683 0.000 -18.272) 20.679 4.957 ( 7.082 0.000 -14.655) 16.277 5.191 ( 3.091 0.000 -1.725) 3.540 5.277 ( 2.046 0.000 -3.645) 4.180 5.541 ( 2.820 0.000 -7.444) 7.960 5.546 ( 1.741 0.000 13.412) 13.524 5.715 ( -3.981 0.000 -0.779) 4.057 5.771 ( 2.534 0.000 1.845) 3.135 5.812 ( 2.194 0.000 4.857) 5.329 5.935 ( 6.129 0.000 13.075) 14.440 5.954 ( 0.642 0.000 12.121) 12.138 5.974 ( 5.611 0.000 0.251) 5.617 5.975 ( -4.932 0.000 11.424) 12.443 6.022 ( 1.271 0.000 10.021) 10.101 6.203 ( -1.393 0.000 -3.618) 3.877 6.308 ( 8.976 0.000 11.048) 14.235 6.340 ( -1.868 0.000 3.532) 3.996 6.433 ( -12.407 0.000 8.258) 14.904 6.556 ( -6.588 0.000 11.231) 13.021 6.574 ( -7.351 0.000 5.885) 9.417 6.694 ( -5.738 0.000 1.449) 5.918 6.750 ( -7.830 0.000 1.694) 8.011 6.800 ( -2.071 0.000 -0.573) 2.149 6.829 ( -5.283 0.000 -0.677) 5.326 6.957 ( -8.270 0.000 1.925) 8.491 7.050 ( -4.498 0.000 11.283) 12.146 7.076 ( -8.250 0.000 -1.903) 8.466 7.144 ( -2.683 0.000 3.983) 4.802 7.224 ( -9.959 0.000 -4.361) 10.872 7.345 ( 2.466 0.000 -2.043) 3.202 7.410 ( -4.709 0.000 1.648) 4.989 7.459 ( -14.538 0.000 -10.998) 18.230 7.509 ( -0.562 0.000 5.633) 5.661 7.520 ( -15.385 0.000 -12.851) 20.046 7.635 ( -3.745 0.000 -4.112) 5.562 7.718 ( -6.512 0.000 -5.996) 8.852 7.816 ( -1.836 0.000 -9.548) 9.723 7.865 ( -10.586 0.000 -14.390) 17.865 7.995 ( -0.015 0.000 5.259) 5.259 8.166 ( 0.260 0.000 -12.604) 12.607 8.249 ( -5.053 0.000 -11.668) 12.715 8.304 ( 5.334 0.000 -5.280) 7.506 8.473 ( -0.911 0.000 -6.526) 6.589 8.597 ( 0.115 0.000 -3.347) 3.349 8.626 ( 1.679 0.000 -9.370) 9.519 8.683 ( 1.063 0.000 -7.240) 7.318 8.772 ( 3.528 0.000 -7.189) 8.008 8.812 ( -14.937 0.000 -10.237) 18.108 8.983 ( -6.958 0.000 -15.640) 17.118 9.079 ( 7.329 0.000 5.398) 9.102 9.099 ( -0.612 0.000 -1.225) 1.369 9.193 ( -0.853 0.000 -1.737) 1.935 9.249 ( -0.997 0.000 -0.906) 1.347 9.397 ( 7.242 0.000 -1.245) 7.348 9.509 ( -4.098 0.000 -3.401) 5.325 9.644 ( -0.285 0.000 4.407) 4.416 9.680 ( -2.789 0.000 2.660) 3.854 9.765 ( -0.264 0.000 1.355) 1.380 9.801 ( -1.642 0.000 -2.849) 3.288 9.846 ( 3.169 0.000 0.353) 3.189 9.898 ( -1.442 0.000 -4.006) 4.258 10.001 ( 4.379 0.000 -3.893) 5.859 10.069 ( 4.220 0.000 -5.095) 6.616 10.106 ( -8.706 0.000 -4.004) 9.582 10.121 ( 0.119 0.000 -2.951) 2.953 10.219 ( -5.855 0.000 -0.665) 5.892 10.224 ( -3.692 0.000 -1.630) 4.035 10.267 ( -2.830 0.000 1.831) 3.371 10.321 ( -4.882 0.000 1.721) 5.176 10.460 ( -5.883 0.000 1.462) 6.062 10.539 ( -4.799 0.000 -3.414) 5.890 10.784 ( 2.446 0.000 3.162) 3.998 10.900 ( -0.873 0.000 5.109) 5.183 10.981 ( 2.001 0.000 7.154) 7.429 11.053 ( -1.853 0.000 -0.335) 1.883 11.094 ( 4.246 0.000 -6.320) 7.614 11.095 ( 8.531 0.000 -3.111) 9.080 11.165 ( 2.425 0.000 9.822) 10.117 11.296 ( -0.891 0.000 3.649) 3.756 11.347 ( 5.353 0.000 4.397) 6.928 11.405 ( 9.530 0.000 2.692) 9.903 11.481 ( -3.864 0.000 -1.982) 4.342 11.502 ( -4.598 0.000 -2.780) 5.373 11.571 ( 3.038 0.000 10.047) 10.496 11.636 ( 12.299 0.000 3.801) 12.873 11.675 ( -0.574 0.000 -4.681) 4.716 11.735 ( 4.692 0.000 5.683) 7.369 11.798 ( 0.170 0.000 1.625) 1.634 11.869 ( -3.875 0.000 -5.534) 6.756 11.874 ( -7.735 0.000 3.444) 8.467 11.986 ( -3.081 0.000 0.801) 3.183 12.040 ( 0.759 0.000 -2.758) 2.860 12.107 ( 4.339 0.000 -2.389) 4.953 12.210 ( 1.266 0.000 -0.330) 1.308 12.213 ( -0.183 0.000 9.017) 9.019 12.281 ( 1.401 0.000 3.849) 4.096 12.283 ( 0.934 0.000 -1.618) 1.868 12.367 ( 6.329 0.000 1.799) 6.580 12.404 ( -5.058 0.000 0.925) 5.142 12.435 ( 1.373 0.000 -0.115) 1.378 12.569 ( -1.261 0.000 5.622) 5.762 12.745 ( -5.889 0.000 -0.751) 5.937 12.780 ( -8.472 0.000 1.413) 8.589 12.858 ( -8.698 0.000 -4.524) 9.805 12.863 ( -2.905 0.000 -0.088) 2.906 12.922 ( 0.697 0.000 -1.796) 1.926 12.944 ( -3.871 0.000 -0.058) 3.872 13.049 ( 1.916 0.000 -1.101) 2.210 13.059 ( -1.679 0.000 2.898) 3.349 13.111 ( 2.098 0.000 3.089) 3.734 13.220 ( -3.922 0.000 -3.387) 5.182 13.253 ( -7.320 0.000 2.631) 7.779 13.264 ( -0.442 0.000 -6.023) 6.039 13.355 ( -17.412 0.000 -6.663) 18.643 13.381 ( -1.647 0.000 -1.372) 2.144 13.397 ( -2.976 0.000 4.148) 5.105 13.462 ( 3.054 0.000 4.225) 5.213 13.581 ( 3.355 0.000 -0.419) 3.381 13.709 ( 3.266 0.000 -3.349) 4.678 13.709 ( 5.500 0.000 8.931) 10.489 13.996 ( 7.447 0.000 -2.991) 8.025 14.005 ( 5.695 0.000 4.861) 7.487 14.123 ( 8.265 0.000 0.347) 8.272 14.182 ( 0.801 0.000 1.911) 2.073 14.200 ( -7.394 0.000 4.282) 8.544 14.348 ( -5.794 0.000 -0.555) 5.820 14.367 ( -1.292 0.000 -2.883) 3.159 14.424 ( 5.014 0.000 0.603) 5.050 14.453 ( 3.063 0.000 -3.312) 4.511 14.861 ( 8.958 0.000 0.381) 8.966 14.932 ( 3.871 0.000 0.067) 3.871 14.956 ( 5.830 0.000 4.920) 7.628 15.101 ( 0.048 0.000 -1.224) 1.225 15.137 ( -1.926 0.000 -1.578) 2.490 15.205 ( -6.469 0.000 -5.349) 8.394 15.407 ( -0.874 0.000 6.756) 6.813 15.625 ( 4.623 0.000 5.830) 7.440 15.712 ( 0.621 0.000 -4.278) 4.323 15.767 ( -0.220 0.000 2.553) 2.562 15.988 ( -3.020 0.000 3.916) 4.945 16.058 ( 3.299 0.000 -0.483) 3.334 16.124 ( 3.291 0.000 -3.869) 5.079 16.177 ( 3.259 0.000 -0.587) 3.311 16.213 ( -4.765 0.000 -1.016) 4.872 16.264 ( -7.170 0.000 -10.205) 12.472 16.521 ( 4.035 0.000 4.744) 6.228 16.569 ( 4.233 0.000 7.633) 8.728 16.745 ( 3.165 0.000 6.260) 7.015 16.927 ( 1.146 0.000 10.135) 10.199 17.071 ( -2.199 0.000 3.499) 4.133 17.176 ( 7.488 0.000 -9.721) 12.271 17.221 ( 3.432 0.000 4.366) 5.554 17.454 ( 2.921 0.000 -6.160) 6.817 17.617 ( -2.171 0.000 -3.050) 3.744 17.758 ( -7.124 0.000 13.110) 14.921 17.871 ( -0.908 0.000 -15.439) 15.466 18.066 ( -13.204 0.000 0.794) 13.228 18.471 ( 1.611 0.000 0.630) 1.730 18.484 ( 0.978 0.000 -0.544) 1.119 19.647 ( 1.619 0.000 2.726) 3.170 19.867 ( -1.955 0.000 -9.178) 9.384 20.549 ( 5.755 0.000 -1.142) 5.868 20.558 ( 3.627 0.000 -2.587) 4.455 20.672 ( 6.509 0.000 1.652) 6.715 20.806 ( 10.694 0.000 -5.978) 12.252 21.039 ( -4.701 0.000 1.529) 4.944 21.134 ( -5.637 0.000 -3.534) 6.654 21.470 ( 2.343 0.000 2.965) 3.779 21.479 ( 0.689 0.000 2.498) 2.591 21.906 ( -10.876 0.000 2.589) 11.180 21.939 ( -10.210 0.000 -0.224) 10.213 22.159 ( -2.881 0.000 -0.566) 2.936 22.215 ( -3.500 0.000 -2.226) 4.147 22.459 ( -3.891 0.000 3.139) 4.999 22.652 ( -7.068 0.000 -6.358) 9.507 25.162 ( 0.753 0.000 6.269) 6.314 25.273 ( -4.134 0.000 7.844) 8.867 25.358 ( -1.331 0.000 -3.507) 3.751 25.458 ( -3.277 0.000 -2.554) 4.154 28.996 ( 0.926 0.000 2.085) 2.281 29.072 ( 0.265 0.000 -2.095) 2.111 29.090 ( -2.418 0.000 3.458) 4.220 29.156 ( -2.039 0.000 -0.938) 2.244 29.772 ( 7.818 0.000 5.206) 9.393 29.807 ( 9.862 0.000 5.875) 11.480 29.959 ( 7.153 0.000 -4.248) 8.319 30.100 ( 8.653 0.000 -10.436) 13.557 34.370 ( -1.364 0.000 1.349) 1.919 34.440 ( -2.468 0.000 -0.584) 2.537 34.441 ( -1.652 0.000 -1.943) 2.550 34.451 ( -2.261 0.000 -1.235) 2.577 97.720 ( 0.415 0.000 4.150) 4.170 97.774 ( -1.907 0.000 4.040) 4.468 97.858 ( -1.177 0.000 -2.688) 2.935 97.874 ( -1.766 0.000 -1.473) 2.300 99.934 ( 0.893 0.000 3.330) 3.448 100.099 ( -0.444 0.000 -4.889) 4.909 100.245 ( -2.454 0.000 -0.956) 2.634 100.266 ( -4.658 0.000 -1.878) 5.022 ======================= Grid point 113 (40/72) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.969 ( 34.210 0.000 22.084) 40.719 3.168 ( 37.880 0.000 19.659) 42.678 3.856 ( 23.388 0.000 -15.134) 27.857 3.929 ( 18.677 0.000 -21.919) 28.797 4.197 ( 16.163 0.000 5.179) 16.972 4.254 ( 21.483 0.000 6.926) 22.572 4.341 ( 14.753 0.000 5.527) 15.754 4.477 ( 14.024 0.000 7.508) 15.907 4.634 ( 7.068 0.000 -4.429) 8.341 4.762 ( 10.213 0.000 -1.299) 10.295 4.825 ( 13.887 0.000 -4.312) 14.541 4.988 ( 24.519 0.000 7.557) 25.657 5.129 ( 12.725 0.000 1.074) 12.770 5.218 ( 4.662 0.000 2.202) 5.156 5.301 ( 0.208 0.000 -2.732) 2.740 5.455 ( -11.010 0.000 13.485) 17.409 5.528 ( -5.637 0.000 9.724) 11.240 5.604 ( -8.782 0.000 1.595) 8.925 5.676 ( -9.117 0.000 5.055) 10.425 5.729 ( -9.974 0.000 2.441) 10.268 5.900 ( -2.007 0.000 5.952) 6.282 5.931 ( -0.915 0.000 3.273) 3.398 5.955 ( -8.810 0.000 6.597) 11.006 5.973 ( 0.212 0.000 6.691) 6.694 6.089 ( -3.642 0.000 6.150) 7.147 6.202 ( -11.145 0.000 7.024) 13.174 6.223 ( 2.505 0.000 -4.330) 5.003 6.293 ( 0.021 0.000 0.685) 0.685 6.404 ( -3.711 0.000 15.854) 16.283 6.430 ( 0.075 0.000 5.110) 5.110 6.555 ( 2.609 0.000 12.282) 12.556 6.570 ( -4.358 0.000 4.706) 6.414 6.650 ( -6.818 0.000 -2.290) 7.192 6.725 ( -11.227 0.000 -1.273) 11.299 6.788 ( 4.303 0.000 -1.613) 4.595 6.841 ( 1.374 0.000 8.111) 8.226 6.844 ( -14.231 0.000 -2.950) 14.534 6.954 ( -6.497 0.000 5.691) 8.637 6.982 ( -11.716 0.000 -3.212) 12.148 7.087 ( -1.658 0.000 5.295) 5.549 7.257 ( -9.785 0.000 -12.194) 15.635 7.311 ( -2.251 0.000 -8.615) 8.904 7.324 ( 0.070 0.000 -0.461) 0.466 7.444 ( -0.299 0.000 2.159) 2.180 7.507 ( -1.169 0.000 -6.808) 6.908 7.564 ( 4.337 0.000 -9.705) 10.630 7.698 ( -3.578 0.000 2.518) 4.376 7.727 ( -5.306 0.000 -14.306) 15.258 7.753 ( 0.637 0.000 -4.619) 4.662 7.983 ( 1.578 0.000 -3.191) 3.560 8.070 ( -4.676 0.000 -1.508) 4.913 8.254 ( -10.714 0.000 -8.642) 13.765 8.297 ( 2.388 0.000 -8.838) 9.154 8.461 ( -8.147 0.000 5.328) 9.734 8.566 ( 0.364 0.000 -6.547) 6.557 8.581 ( -5.852 0.000 -15.131) 16.223 8.642 ( 6.738 0.000 -7.685) 10.220 8.725 ( 8.737 0.000 -18.654) 20.599 8.877 ( 3.478 0.000 -2.094) 4.060 8.988 ( 4.809 0.000 -10.572) 11.614 9.102 ( -0.610 0.000 -3.183) 3.241 9.111 ( -2.037 0.000 -4.588) 5.020 9.190 ( -3.442 0.000 -1.648) 3.816 9.212 ( -1.427 0.000 1.007) 1.746 9.433 ( -0.833 0.000 5.395) 5.459 9.523 ( -0.603 0.000 1.233) 1.372 9.649 ( 3.535 0.000 4.248) 5.526 9.651 ( -0.062 0.000 3.326) 3.327 9.747 ( -1.666 0.000 0.654) 1.790 9.759 ( -1.910 0.000 -4.289) 4.695 9.907 ( -1.433 0.000 -1.341) 1.962 9.912 ( 3.873 0.000 -6.566) 7.623 9.968 ( -1.248 0.000 -3.191) 3.426 10.006 ( -3.588 0.000 -3.000) 4.677 10.063 ( -0.271 0.000 -4.508) 4.516 10.076 ( -9.718 0.000 -1.256) 9.798 10.134 ( -1.640 0.000 2.042) 2.619 10.236 ( -0.345 0.000 -1.658) 1.694 10.236 ( -4.022 0.000 -0.239) 4.029 10.245 ( 2.733 0.000 -5.002) 5.700 10.380 ( -1.441 0.000 3.571) 3.850 10.421 ( -5.763 0.000 -0.302) 5.770 10.843 ( 3.714 0.000 3.112) 4.845 10.855 ( -2.802 0.000 2.645) 3.853 10.950 ( -6.545 0.000 4.836) 8.137 10.991 ( -7.043 0.000 3.152) 7.716 11.115 ( -1.843 0.000 3.755) 4.183 11.184 ( 5.182 0.000 -3.897) 6.484 11.235 ( -4.589 0.000 -6.681) 8.105 11.247 ( 2.600 0.000 0.074) 2.602 11.328 ( -5.617 0.000 -4.157) 6.988 11.371 ( -3.679 0.000 0.344) 3.695 11.451 ( -2.134 0.000 1.997) 2.923 11.563 ( -2.268 0.000 2.865) 3.654 11.619 ( 6.346 0.000 6.295) 8.939 11.698 ( 3.848 0.000 -4.211) 5.704 11.731 ( -2.481 0.000 -5.894) 6.394 11.775 ( 0.386 0.000 3.095) 3.119 11.785 ( 1.436 0.000 5.436) 5.622 11.818 ( 2.777 0.000 9.101) 9.515 11.885 ( 2.297 0.000 -3.607) 4.276 11.963 ( -5.281 0.000 2.663) 5.915 11.968 ( 2.173 0.000 -0.032) 2.173 12.089 ( -4.231 0.000 -1.460) 4.476 12.138 ( -3.039 0.000 3.223) 4.430 12.141 ( -4.139 0.000 -5.786) 7.114 12.272 ( -5.190 0.000 6.612) 8.406 12.352 ( 0.113 0.000 3.275) 3.277 12.452 ( 4.465 0.000 -1.679) 4.771 12.465 ( 0.269 0.000 1.369) 1.395 12.495 ( -6.727 0.000 -3.237) 7.466 12.547 ( 1.418 0.000 0.286) 1.447 12.646 ( -4.331 0.000 0.784) 4.402 12.727 ( -2.977 0.000 -0.286) 2.991 12.731 ( 4.421 0.000 2.479) 5.069 12.823 ( 0.279 0.000 0.115) 0.302 12.905 ( -2.002 0.000 -4.284) 4.729 12.909 ( 2.216 0.000 0.033) 2.216 13.025 ( -6.608 0.000 2.049) 6.919 13.025 ( -4.387 0.000 2.904) 5.261 13.074 ( -1.153 0.000 2.398) 2.661 13.092 ( -0.964 0.000 0.393) 1.041 13.140 ( -3.705 0.000 -1.101) 3.866 13.225 ( -2.231 0.000 -7.572) 7.894 13.236 ( 9.005 0.000 1.059) 9.067 13.376 ( 2.173 0.000 -3.883) 4.449 13.484 ( 4.722 0.000 4.792) 6.728 13.504 ( 1.448 0.000 2.027) 2.491 13.644 ( 1.160 0.000 2.790) 3.022 13.753 ( 1.255 0.000 -3.994) 4.186 13.887 ( 10.178 0.000 7.368) 12.564 14.099 ( -0.240 0.000 5.865) 5.870 14.107 ( -2.775 0.000 5.844) 6.469 14.115 ( 5.181 0.000 5.046) 7.232 14.145 ( -2.948 0.000 4.664) 5.517 14.251 ( 8.976 0.000 -5.950) 10.769 14.275 ( -1.052 0.000 -2.035) 2.291 14.315 ( 1.966 0.000 -0.943) 2.180 14.560 ( 4.638 0.000 0.139) 4.640 14.565 ( 5.058 0.000 -0.506) 5.083 14.876 ( -3.643 0.000 3.155) 4.819 14.988 ( -4.765 0.000 -1.383) 4.961 14.989 ( -3.129 0.000 1.199) 3.351 15.054 ( 3.136 0.000 -0.962) 3.280 15.164 ( 2.794 0.000 -0.645) 2.868 15.170 ( 1.591 0.000 -0.071) 1.593 15.369 ( -3.926 0.000 6.089) 7.245 15.552 ( -8.158 0.000 -3.011) 8.696 15.736 ( -0.940 0.000 4.814) 4.905 15.789 ( 2.471 0.000 2.541) 3.544 15.964 ( -0.253 0.000 4.848) 4.855 16.104 ( -8.127 0.000 -6.141) 10.186 16.108 ( 1.511 0.000 0.337) 1.548 16.195 ( 4.525 0.000 -4.154) 6.142 16.209 ( 1.407 0.000 -2.844) 3.173 16.254 ( 6.852 0.000 -4.943) 8.449 16.575 ( 1.797 0.000 4.555) 4.896 16.632 ( 2.131 0.000 4.238) 4.744 16.783 ( 1.022 0.000 12.180) 12.223 16.939 ( -0.281 0.000 8.948) 8.952 17.059 ( 1.401 0.000 0.132) 1.407 17.264 ( 1.495 0.000 -9.818) 9.931 17.291 ( 3.181 0.000 4.205) 5.273 17.494 ( -0.839 0.000 -3.361) 3.464 17.577 ( -1.766 0.000 3.466) 3.890 17.731 ( 4.986 0.000 -2.689) 5.665 17.790 ( -6.831 0.000 -4.241) 8.040 17.951 ( -0.170 0.000 -10.843) 10.845 18.501 ( 1.512 0.000 -0.407) 1.565 18.508 ( 1.417 0.000 -1.561) 2.109 19.672 ( 1.270 0.000 1.880) 2.268 19.818 ( -2.547 0.000 -5.835) 6.367 20.637 ( 4.612 0.000 -1.792) 4.948 20.648 ( 5.043 0.000 -1.660) 5.309 20.782 ( 4.041 0.000 3.201) 5.156 20.900 ( -1.447 0.000 -1.408) 2.019 20.997 ( 1.468 0.000 -1.792) 2.317 21.035 ( -4.461 0.000 -3.123) 5.446 21.447 ( -5.000 0.000 7.874) 9.327 21.513 ( 1.331 0.000 5.978) 6.124 21.734 ( -9.631 0.000 -4.014) 10.434 21.749 ( -4.107 0.000 -3.275) 5.253 22.106 ( -2.491 0.000 -0.201) 2.499 22.146 ( -3.474 0.000 -1.595) 3.822 22.389 ( -3.086 0.000 1.665) 3.506 22.519 ( -6.367 0.000 -4.738) 7.936 25.182 ( 1.342 0.000 4.758) 4.943 25.228 ( -0.763 0.000 6.191) 6.238 25.327 ( -1.810 0.000 -2.398) 3.004 25.392 ( -3.439 0.000 -2.334) 4.156 29.017 ( 1.126 0.000 1.481) 1.860 29.058 ( -0.986 0.000 2.228) 2.437 29.074 ( -0.068 0.000 -1.640) 1.642 29.116 ( -2.017 0.000 -1.185) 2.339 29.930 ( 8.026 0.000 4.193) 9.055 30.002 ( 9.711 0.000 4.812) 10.837 30.083 ( 5.315 0.000 -3.517) 6.373 30.231 ( 4.895 0.000 -7.333) 8.816 34.344 ( -1.244 0.000 1.191) 1.723 34.395 ( -2.029 0.000 -0.469) 2.083 34.400 ( -2.461 0.000 -0.629) 2.540 34.411 ( -1.878 0.000 -2.065) 2.791 97.732 ( 0.817 0.000 3.052) 3.159 97.756 ( -0.150 0.000 2.993) 2.997 97.833 ( -1.432 0.000 -1.878) 2.362 97.839 ( -1.704 0.000 -1.361) 2.180 99.956 ( 1.416 0.000 2.669) 3.022 100.085 ( -0.827 0.000 -3.527) 3.623 100.180 ( -3.988 0.000 -0.754) 4.059 100.186 ( -3.538 0.000 -1.222) 3.743 ======================= Grid point 114 (41/72) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.624 ( 32.438 0.000 15.178) 35.813 3.872 ( 34.112 0.000 17.309) 38.252 4.240 ( 10.571 0.000 -11.002) 15.257 4.330 ( 22.596 0.000 -6.231) 23.439 4.464 ( 10.145 0.000 1.295) 10.227 4.556 ( 9.439 0.000 -1.206) 9.516 4.633 ( 14.755 0.000 4.036) 15.297 4.749 ( 13.884 0.000 6.642) 15.391 4.814 ( 10.522 0.000 2.584) 10.835 4.897 ( -0.221 0.000 8.421) 8.423 5.026 ( 3.161 0.000 1.181) 3.374 5.130 ( -1.435 0.000 4.838) 5.046 5.186 ( 2.214 0.000 -6.264) 6.644 5.204 ( -9.816 0.000 9.684) 13.789 5.290 ( -8.110 0.000 3.322) 8.764 5.319 ( 0.539 0.000 -1.192) 1.308 5.372 ( -9.866 0.000 4.188) 10.718 5.521 ( -7.356 0.000 -0.602) 7.380 5.577 ( 6.255 0.000 5.180) 8.122 5.581 ( -1.976 0.000 5.244) 5.604 5.708 ( -13.571 0.000 2.445) 13.790 5.788 ( -11.104 0.000 1.693) 11.233 5.842 ( -14.596 0.000 3.570) 15.026 5.936 ( -11.280 0.000 2.192) 11.491 6.024 ( 0.045 0.000 -6.215) 6.215 6.026 ( 11.688 0.000 8.817) 14.641 6.298 ( 1.915 0.000 -1.965) 2.744 6.332 ( -0.939 0.000 -0.570) 1.099 6.353 ( -4.777 0.000 10.362) 11.411 6.389 ( -8.623 0.000 3.677) 9.375 6.435 ( -5.690 0.000 0.071) 5.691 6.466 ( -8.047 0.000 4.559) 9.248 6.521 ( -8.262 0.000 5.406) 9.874 6.540 ( -3.489 0.000 -1.549) 3.818 6.744 ( 8.382 0.000 2.224) 8.672 6.772 ( -3.977 0.000 -1.129) 4.134 6.905 ( 2.963 0.000 10.118) 10.543 6.946 ( 3.619 0.000 -0.054) 3.620 6.988 ( 9.196 0.000 0.168) 9.198 6.997 ( -1.982 0.000 -1.094) 2.264 7.181 ( -3.708 0.000 -3.104) 4.836 7.305 ( -6.352 0.000 -2.570) 6.852 7.338 ( 5.804 0.000 1.734) 6.058 7.399 ( -3.728 0.000 6.455) 7.454 7.513 ( -3.197 0.000 -3.923) 5.061 7.546 ( -3.263 0.000 -5.043) 6.006 7.575 ( -5.437 0.000 0.620) 5.472 7.589 ( -5.186 0.000 -10.334) 11.562 7.931 ( 15.876 0.000 6.242) 17.059 8.068 ( -5.730 0.000 -6.325) 8.535 8.094 ( 8.005 0.000 0.772) 8.043 8.151 ( 7.449 0.000 -14.574) 16.367 8.299 ( 1.108 0.000 -6.187) 6.286 8.307 ( -3.226 0.000 4.712) 5.711 8.526 ( -1.463 0.000 -14.473) 14.547 8.595 ( 0.371 0.000 -5.866) 5.878 8.769 ( -10.404 0.000 -7.255) 12.684 8.863 ( 8.527 0.000 -11.622) 14.415 8.921 ( 4.460 0.000 -1.956) 4.870 9.016 ( -2.423 0.000 -4.883) 5.451 9.046 ( -2.678 0.000 -2.539) 3.690 9.084 ( 2.585 0.000 -13.981) 14.218 9.171 ( -1.295 0.000 -2.260) 2.605 9.173 ( 0.654 0.000 -4.691) 4.737 9.446 ( -3.176 0.000 5.533) 6.379 9.463 ( 2.269 0.000 6.006) 6.420 9.652 ( 0.582 0.000 5.658) 5.687 9.670 ( -1.980 0.000 -3.831) 4.313 9.716 ( -1.532 0.000 -3.028) 3.394 9.799 ( 0.623 0.000 -1.373) 1.508 9.834 ( -0.811 0.000 0.797) 1.137 9.864 ( -6.336 0.000 -0.624) 6.367 9.932 ( -3.953 0.000 -0.930) 4.061 9.970 ( -4.140 0.000 0.677) 4.195 9.983 ( 1.467 0.000 0.208) 1.482 10.065 ( 0.735 0.000 0.915) 1.174 10.129 ( -0.094 0.000 0.182) 0.205 10.196 ( 1.137 0.000 -1.505) 1.886 10.202 ( 0.267 0.000 -5.075) 5.082 10.330 ( 3.069 0.000 -4.157) 5.167 10.357 ( -1.695 0.000 0.472) 1.759 10.371 ( 0.211 0.000 0.568) 0.606 10.721 ( -10.681 0.000 -5.592) 12.056 10.726 ( -10.563 0.000 -5.803) 12.052 10.907 ( 1.721 0.000 4.194) 4.533 10.970 ( 5.188 0.000 3.250) 6.121 11.102 ( -1.345 0.000 1.077) 1.723 11.128 ( -5.264 0.000 -7.563) 9.215 11.173 ( -1.165 0.000 0.285) 1.199 11.261 ( -6.826 0.000 1.631) 7.019 11.282 ( 2.382 0.000 1.506) 2.818 11.311 ( -2.187 0.000 1.657) 2.744 11.416 ( 0.105 0.000 -5.987) 5.988 11.434 ( -8.575 0.000 -2.389) 8.901 11.705 ( -0.349 0.000 -2.507) 2.531 11.727 ( 5.481 0.000 4.177) 6.891 11.747 ( -1.687 0.000 3.994) 4.335 11.781 ( 1.655 0.000 -1.265) 2.083 11.794 ( -0.262 0.000 2.338) 2.353 11.886 ( -2.483 0.000 -0.665) 2.570 11.916 ( 4.592 0.000 2.782) 5.369 11.934 ( -0.098 0.000 -0.215) 0.236 11.957 ( -2.473 0.000 2.215) 3.320 12.029 ( -4.581 0.000 -3.191) 5.583 12.055 ( -4.704 0.000 -2.561) 5.356 12.060 ( 0.326 0.000 -0.866) 0.926 12.210 ( 0.801 0.000 9.726) 9.759 12.304 ( -4.775 0.000 4.100) 6.294 12.419 ( 0.893 0.000 -3.152) 3.276 12.443 ( 1.060 0.000 -3.342) 3.506 12.522 ( 2.705 0.000 -4.028) 4.852 12.576 ( -0.624 0.000 0.690) 0.930 12.580 ( -1.432 0.000 -2.227) 2.648 12.719 ( -0.137 0.000 0.864) 0.874 12.732 ( 2.278 0.000 0.655) 2.370 12.775 ( -5.896 0.000 -2.575) 6.434 12.873 ( -2.894 0.000 -1.163) 3.119 12.897 ( -5.522 0.000 3.584) 6.583 12.940 ( -4.122 0.000 2.446) 4.793 12.945 ( -0.045 0.000 -4.701) 4.701 13.038 ( -0.638 0.000 0.140) 0.653 13.129 ( -6.241 0.000 -3.858) 7.337 13.245 ( 10.424 0.000 4.458) 11.337 13.264 ( 11.922 0.000 4.429) 12.718 13.437 ( 7.388 0.000 2.555) 7.817 13.443 ( 2.532 0.000 -0.817) 2.660 13.534 ( 3.377 0.000 -0.337) 3.393 13.555 ( 3.287 0.000 6.311) 7.116 13.653 ( 0.144 0.000 2.968) 2.972 13.744 ( -2.203 0.000 -4.365) 4.889 13.963 ( -1.575 0.000 4.596) 4.859 14.041 ( -5.278 0.000 5.076) 7.323 14.123 ( 1.602 0.000 1.038) 1.909 14.133 ( 4.820 0.000 3.557) 5.991 14.205 ( 4.933 0.000 5.901) 7.692 14.262 ( 2.366 0.000 -1.075) 2.598 14.476 ( 12.091 0.000 -1.706) 12.211 14.490 ( 10.306 0.000 0.044) 10.306 14.550 ( -3.888 0.000 2.008) 4.375 14.553 ( -5.600 0.000 1.863) 5.902 14.830 ( -1.696 0.000 2.818) 3.289 14.861 ( -2.908 0.000 2.197) 3.645 14.974 ( -2.310 0.000 4.257) 4.843 15.088 ( -1.406 0.000 3.620) 3.884 15.155 ( -2.165 0.000 1.414) 2.586 15.215 ( 1.879 0.000 1.643) 2.496 15.260 ( -5.217 0.000 2.851) 5.945 15.393 ( -7.062 0.000 -4.940) 8.618 15.754 ( 1.993 0.000 0.926) 2.198 15.803 ( -0.302 0.000 -3.807) 3.819 15.938 ( -1.777 0.000 6.901) 7.126 15.973 ( -4.904 0.000 -1.624) 5.166 16.140 ( 2.070 0.000 -1.881) 2.797 16.207 ( -0.958 0.000 -3.171) 3.313 16.331 ( 7.099 0.000 -1.785) 7.320 16.380 ( 4.882 0.000 -2.836) 5.646 16.603 ( 1.311 0.000 4.357) 4.549 16.649 ( -0.378 0.000 2.366) 2.396 16.805 ( 1.876 0.000 12.492) 12.632 16.912 ( -2.374 0.000 7.898) 8.248 17.119 ( 4.222 0.000 -1.559) 4.501 17.257 ( -1.781 0.000 -6.777) 7.008 17.334 ( 1.518 0.000 3.332) 3.661 17.432 ( -4.020 0.000 0.995) 4.141 17.575 ( 1.043 0.000 1.747) 2.034 17.676 ( -4.633 0.000 -0.918) 4.723 17.858 ( 6.261 0.000 -10.805) 12.488 17.963 ( 0.370 0.000 -13.744) 13.749 18.527 ( 1.086 0.000 -1.285) 1.682 18.532 ( 0.914 0.000 -2.078) 2.270 19.702 ( 1.742 0.000 0.542) 1.825 19.775 ( -2.026 0.000 -3.324) 3.893 20.728 ( 4.270 0.000 -1.188) 4.432 20.739 ( 3.632 0.000 -0.858) 3.732 20.835 ( 2.384 0.000 1.324) 2.727 20.854 ( -1.748 0.000 -0.016) 1.748 20.965 ( -2.684 0.000 -0.372) 2.710 21.020 ( -0.270 0.000 -1.011) 1.046 21.323 ( -5.510 0.000 6.424) 8.463 21.439 ( -8.163 0.000 3.589) 8.917 21.663 ( 1.739 0.000 -2.930) 3.407 21.722 ( -0.255 0.000 -3.527) 3.536 22.069 ( -1.256 0.000 -0.101) 1.260 22.089 ( -2.305 0.000 -0.879) 2.467 22.348 ( -0.969 0.000 0.129) 0.978 22.415 ( -4.336 0.000 -3.094) 5.327 25.213 ( 1.791 0.000 2.938) 3.440 25.235 ( 1.297 0.000 3.619) 3.844 25.289 ( -2.047 0.000 -0.821) 2.205 25.328 ( -3.134 0.000 -1.043) 3.303 29.038 ( 1.081 0.000 0.683) 1.279 29.050 ( 0.035 0.000 0.847) 0.848 29.069 ( -0.444 0.000 -0.988) 1.084 29.081 ( -1.515 0.000 -0.951) 1.789 30.067 ( 5.857 0.000 2.495) 6.367 30.153 ( 1.719 0.000 -1.809) 2.495 30.166 ( 7.065 0.000 2.650) 7.546 30.288 ( 0.955 0.000 -3.648) 3.771 34.326 ( -0.449 0.000 0.855) 0.966 34.356 ( -1.923 0.000 -0.192) 1.932 34.367 ( -0.900 0.000 -0.682) 1.129 34.379 ( -1.354 0.000 -1.627) 2.117 97.751 ( 1.161 0.000 1.803) 2.145 97.763 ( 0.798 0.000 1.615) 1.802 97.804 ( -1.517 0.000 -0.710) 1.675 97.809 ( -1.454 0.000 -0.769) 1.645 99.991 ( 2.188 0.000 1.685) 2.762 100.072 ( -0.578 0.000 -1.964) 2.047 100.116 ( -3.390 0.000 -0.940) 3.518 100.117 ( -2.447 0.000 -0.667) 2.536 ======================= Grid point 115 (42/72) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.146 ( -18.016 0.000 4.849) 18.657 4.146 ( 18.016 0.000 4.849) 18.657 4.459 ( -18.782 0.000 11.952) 22.262 4.459 ( 18.782 0.000 11.952) 22.262 4.591 ( -3.943 0.000 2.126) 4.480 4.591 ( 3.943 0.000 2.126) 4.480 4.829 ( -1.120 0.000 3.428) 3.607 4.829 ( 1.120 0.000 3.428) 3.607 4.913 ( -6.827 0.000 9.076) 11.358 4.913 ( 6.828 0.000 9.076) 11.358 5.010 ( -8.489 0.000 -0.547) 8.506 5.010 ( 8.489 0.000 -0.547) 8.506 5.174 ( -3.075 0.000 7.128) 7.763 5.174 ( 3.075 0.000 7.128) 7.763 5.279 ( -0.507 0.000 -5.979) 6.000 5.279 ( 0.507 0.000 -5.979) 6.000 5.400 ( -5.240 0.000 -0.523) 5.266 5.400 ( 5.240 0.000 -0.523) 5.266 5.583 ( -0.592 0.000 2.495) 2.565 5.583 ( 0.592 0.000 2.495) 2.565 5.612 ( -1.836 0.000 -1.737) 2.527 5.612 ( 1.836 0.000 -1.737) 2.527 5.716 ( -5.941 0.000 1.601) 6.153 5.716 ( 5.941 0.000 1.601) 6.153 6.112 ( -8.992 0.000 -6.553) 11.127 6.112 ( 8.992 0.000 -6.553) 11.127 6.238 ( -5.279 0.000 6.907) 8.693 6.238 ( 5.279 0.000 6.907) 8.693 6.302 ( -0.564 0.000 -1.006) 1.153 6.302 ( 0.564 0.000 -1.006) 1.153 6.408 ( -0.981 0.000 6.936) 7.005 6.408 ( 0.981 0.000 6.936) 7.005 6.476 ( -3.784 0.000 0.468) 3.813 6.476 ( 3.784 0.000 0.468) 3.813 6.816 ( -6.291 0.000 -3.015) 6.976 6.816 ( 6.291 0.000 -3.015) 6.976 6.946 ( -1.151 0.000 9.205) 9.277 6.946 ( 1.151 0.000 9.205) 9.277 7.086 ( -6.999 0.000 -1.985) 7.275 7.086 ( 6.999 0.000 -1.985) 7.275 7.135 ( -0.896 0.000 -1.095) 1.414 7.135 ( 0.896 0.000 -1.095) 1.414 7.358 ( -2.781 0.000 8.372) 8.822 7.358 ( 2.781 0.000 8.372) 8.822 7.495 ( -3.781 0.000 -2.303) 4.427 7.495 ( 3.781 0.000 -2.303) 4.427 7.573 ( -0.388 0.000 -3.905) 3.924 7.573 ( 0.388 0.000 -3.905) 3.924 8.068 ( -7.022 0.000 -2.799) 7.559 8.068 ( 7.022 0.000 -2.799) 7.559 8.183 ( -5.581 0.000 -5.444) 7.797 8.183 ( 5.581 0.000 -5.444) 7.797 8.364 ( -3.676 0.000 0.365) 3.694 8.364 ( 3.676 0.000 0.365) 3.694 8.502 ( -1.158 0.000 -11.027) 11.087 8.502 ( 1.158 0.000 -11.027) 11.087 8.761 ( -9.217 0.000 -6.513) 11.285 8.761 ( 9.217 0.000 -6.513) 11.285 8.940 ( -2.299 0.000 0.750) 2.419 8.940 ( 2.299 0.000 0.750) 2.419 9.119 ( -1.059 0.000 -7.264) 7.341 9.119 ( 1.059 0.000 -7.264) 7.341 9.198 ( -0.156 0.000 -8.654) 8.655 9.198 ( 0.156 0.000 -8.654) 8.655 9.453 ( -4.113 0.000 2.531) 4.829 9.453 ( 4.113 0.000 2.531) 4.829 9.630 ( -0.894 0.000 1.698) 1.919 9.630 ( 0.894 0.000 1.698) 1.919 9.747 ( -3.802 0.000 -0.207) 3.808 9.747 ( 3.802 0.000 -0.207) 3.808 9.851 ( -1.264 0.000 2.659) 2.944 9.851 ( 1.264 0.000 2.659) 2.944 9.872 ( -1.527 0.000 -2.717) 3.117 9.872 ( 1.527 0.000 -2.717) 3.117 10.039 ( -3.554 0.000 8.676) 9.375 10.039 ( 3.554 0.000 8.676) 9.375 10.179 ( -4.010 0.000 -9.032) 9.882 10.179 ( 4.010 0.000 -9.032) 9.882 10.255 ( -4.995 0.000 1.769) 5.299 10.255 ( 4.995 0.000 1.769) 5.299 10.384 ( -0.173 0.000 -3.085) 3.090 10.384 ( 0.173 0.000 -3.085) 3.090 10.610 ( -0.396 0.000 -9.154) 9.162 10.610 ( 0.396 0.000 -9.154) 9.162 10.974 ( -2.986 0.000 -0.612) 3.049 10.974 ( 2.986 0.000 -0.612) 3.049 11.112 ( -4.854 0.000 -4.027) 6.307 11.112 ( 4.854 0.000 -4.027) 6.307 11.181 ( -8.036 0.000 7.106) 10.728 11.181 ( 8.036 0.000 7.106) 10.728 11.240 ( -5.384 0.000 -1.042) 5.483 11.240 ( 5.384 0.000 -1.042) 5.483 11.400 ( -2.194 0.000 -4.494) 5.001 11.400 ( 2.194 0.000 -4.494) 5.001 11.709 ( -1.107 0.000 2.926) 3.129 11.709 ( 1.107 0.000 2.926) 3.129 11.795 ( -0.330 0.000 0.639) 0.720 11.795 ( 0.330 0.000 0.639) 0.720 11.833 ( -4.236 0.000 0.714) 4.295 11.833 ( 4.236 0.000 0.714) 4.295 11.888 ( -0.219 0.000 -0.684) 0.719 11.888 ( 0.219 0.000 -0.684) 0.719 11.984 ( -1.102 0.000 -5.893) 5.995 11.984 ( 1.102 0.000 -5.893) 5.995 12.057 ( -2.233 0.000 1.709) 2.812 12.057 ( 2.233 0.000 1.709) 2.812 12.234 ( -1.960 0.000 7.077) 7.344 12.234 ( 1.960 0.000 7.077) 7.344 12.459 ( -0.702 0.000 -1.978) 2.099 12.459 ( 0.702 0.000 -1.978) 2.099 12.561 ( -0.969 0.000 -2.251) 2.451 12.561 ( 0.969 0.000 -2.251) 2.451 12.628 ( -6.890 0.000 -1.540) 7.060 12.628 ( 6.890 0.000 -1.540) 7.060 12.754 ( -1.049 0.000 -1.909) 2.178 12.754 ( 1.049 0.000 -1.909) 2.178 12.838 ( -0.349 0.000 3.026) 3.046 12.838 ( 0.349 0.000 3.026) 3.046 12.902 ( -1.922 0.000 -1.369) 2.360 12.902 ( 1.922 0.000 -1.369) 2.360 13.053 ( -1.674 0.000 -1.866) 2.507 13.053 ( 1.674 0.000 -1.866) 2.507 13.412 ( -5.594 0.000 3.968) 6.859 13.412 ( 5.594 0.000 3.968) 6.859 13.437 ( -5.090 0.000 3.397) 6.120 13.437 ( 5.090 0.000 3.397) 6.120 13.616 ( -1.255 0.000 5.830) 5.963 13.616 ( 1.255 0.000 5.830) 5.963 13.672 ( -4.597 0.000 -4.161) 6.200 13.672 ( 4.597 0.000 -4.161) 6.200 13.955 ( -2.221 0.000 5.329) 5.773 13.955 ( 2.221 0.000 5.329) 5.773 14.159 ( -1.260 0.000 -1.528) 1.981 14.159 ( 1.260 0.000 -1.528) 1.981 14.344 ( -2.712 0.000 5.155) 5.825 14.344 ( 2.712 0.000 5.155) 5.825 14.407 ( -1.723 0.000 0.503) 1.795 14.407 ( 1.723 0.000 0.503) 1.795 14.672 ( -1.917 0.000 -0.688) 2.036 14.672 ( 1.917 0.000 -0.688) 2.036 14.793 ( -2.685 0.000 3.852) 4.695 14.793 ( 2.685 0.000 3.852) 4.695 14.986 ( -5.177 0.000 8.463) 9.921 14.986 ( 5.177 0.000 8.463) 9.921 15.162 ( -2.243 0.000 1.531) 2.716 15.162 ( 2.243 0.000 1.531) 2.716 15.292 ( -3.839 0.000 -3.003) 4.874 15.292 ( 3.839 0.000 -3.003) 4.874 15.786 ( -1.266 0.000 -3.658) 3.871 15.786 ( 1.266 0.000 -3.658) 3.871 15.923 ( -0.520 0.000 4.240) 4.272 15.923 ( 0.520 0.000 4.240) 4.272 16.179 ( -1.799 0.000 -3.150) 3.627 16.179 ( 1.799 0.000 -3.150) 3.627 16.418 ( -1.317 0.000 -1.189) 1.775 16.418 ( 1.317 0.000 -1.189) 1.775 16.629 ( -1.371 0.000 3.672) 3.919 16.629 ( 1.371 0.000 3.672) 3.919 16.856 ( -3.088 0.000 8.869) 9.391 16.856 ( 3.088 0.000 8.869) 9.391 17.201 ( -3.869 0.000 -3.447) 5.182 17.201 ( 3.869 0.000 -3.447) 5.182 17.368 ( -2.395 0.000 1.706) 2.941 17.368 ( 2.395 0.000 1.706) 2.941 17.608 ( -2.512 0.000 0.674) 2.601 17.608 ( 2.512 0.000 0.674) 2.601 17.945 ( -2.600 0.000 -13.307) 13.559 17.945 ( 2.600 0.000 -13.307) 13.559 18.540 ( -0.160 0.000 -1.928) 1.935 18.540 ( 0.160 0.000 -1.928) 1.935 19.737 ( -1.902 0.000 -1.213) 2.256 19.737 ( 1.902 0.000 -1.213) 2.256 20.771 ( -0.008 0.000 -0.037) 0.037 20.771 ( 0.008 0.000 -0.037) 0.037 20.857 ( -1.298 0.000 -2.235) 2.585 20.857 ( 1.298 0.000 -2.235) 2.585 20.970 ( -3.703 0.000 3.145) 4.859 20.970 ( 3.703 0.000 3.145) 4.859 21.306 ( -4.015 0.000 2.045) 4.506 21.306 ( 4.015 0.000 2.045) 4.506 21.706 ( -1.722 0.000 -1.968) 2.615 21.706 ( 1.722 0.000 -1.968) 2.615 22.061 ( -0.511 0.000 -0.318) 0.602 22.061 ( 0.511 0.000 -0.318) 0.602 22.355 ( -1.747 0.000 -1.491) 2.297 22.355 ( 1.747 0.000 -1.491) 2.297 25.250 ( -2.001 0.000 1.055) 2.262 25.250 ( 2.001 0.000 1.055) 2.262 25.273 ( -2.507 0.000 1.034) 2.712 25.273 ( 2.507 0.000 1.034) 2.712 29.057 ( -0.844 0.000 -0.223) 0.873 29.057 ( 0.844 0.000 -0.223) 0.873 29.058 ( -0.812 0.000 -0.211) 0.839 29.058 ( 0.812 0.000 -0.211) 0.839 30.147 ( -2.307 0.000 0.363) 2.336 30.147 ( 2.307 0.000 0.363) 2.336 30.267 ( -3.202 0.000 -0.253) 3.212 30.267 ( 3.202 0.000 -0.253) 3.212 34.329 ( -0.782 0.000 0.344) 0.854 34.329 ( 0.782 0.000 0.344) 0.854 34.361 ( -0.351 0.000 -1.111) 1.165 34.361 ( 0.351 0.000 -1.111) 1.165 97.776 ( -1.398 0.000 0.520) 1.492 97.776 ( 1.398 0.000 0.520) 1.492 97.783 ( -1.228 0.000 0.312) 1.267 97.783 ( 1.228 0.000 0.312) 1.267 100.040 ( -2.776 0.000 0.553) 2.831 100.040 ( 2.776 0.000 0.553) 2.831 100.087 ( -0.583 0.000 -1.353) 1.473 100.087 ( 0.583 0.000 -1.353) 1.473 ======================= Grid point 121 (43/72) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 0.000 19.170 41.742) 45.933 1.904 ( 0.000 24.735 35.500) 43.267 2.857 ( 0.000 -25.088 26.565) 36.539 3.025 ( 0.000 -31.086 12.447) 33.485 3.152 ( 0.000 26.743 62.421) 67.909 3.422 ( 0.000 6.295 -19.842) 20.817 3.532 ( 0.000 6.672 -38.462) 39.037 4.067 ( 0.000 12.160 7.116) 14.090 4.116 ( 0.000 -7.998 -22.298) 23.689 4.131 ( 0.000 -4.921 -8.688) 9.985 4.287 ( 0.000 12.518 9.631) 15.794 4.760 ( 0.000 -2.111 -9.171) 9.411 4.883 ( 0.000 -34.715 24.355) 42.406 5.034 ( 0.000 3.207 -6.736) 7.460 5.065 ( 0.000 16.974 -9.499) 19.451 5.182 ( 0.000 -5.547 1.565) 5.763 5.395 ( 0.000 -7.943 -5.957) 9.929 5.435 ( 0.000 -4.589 9.535) 10.582 5.596 ( 0.000 1.913 -32.105) 32.161 5.598 ( 0.000 -10.503 -9.050) 13.864 5.834 ( 0.000 -6.863 -0.375) 6.873 5.880 ( 0.000 8.954 2.707) 9.354 5.962 ( 0.000 -3.286 3.612) 4.883 5.983 ( 0.000 1.485 3.251) 3.574 6.107 ( 0.000 -1.850 3.051) 3.568 6.127 ( 0.000 6.805 4.976) 8.430 6.336 ( 0.000 4.388 5.860) 7.321 6.363 ( 0.000 5.269 2.034) 5.648 6.595 ( 0.000 -14.513 -2.112) 14.666 6.661 ( 0.000 -10.039 -1.343) 10.128 6.783 ( 0.000 -1.618 2.963) 3.376 6.882 ( 0.000 -1.391 -4.620) 4.825 6.907 ( 0.000 0.226 -2.830) 2.839 6.917 ( 0.000 -1.080 -1.079) 1.527 7.019 ( 0.000 3.755 20.829) 21.164 7.029 ( 0.000 10.509 -5.452) 11.839 7.083 ( 0.000 -0.399 -3.803) 3.824 7.121 ( 0.000 1.719 -4.405) 4.729 7.362 ( 0.000 4.975 -7.258) 8.799 7.485 ( 0.000 -3.165 21.333) 21.567 7.562 ( 0.000 8.939 11.614) 14.655 7.604 ( 0.000 1.610 9.869) 10.000 7.648 ( 0.000 -2.057 6.332) 6.657 7.732 ( 0.000 8.458 17.284) 19.243 7.770 ( 0.000 18.937 4.457) 19.455 7.813 ( 0.000 0.228 2.457) 2.467 7.954 ( 0.000 0.159 13.921) 13.922 8.024 ( 0.000 -7.608 -7.117) 10.418 8.047 ( 0.000 -2.430 -18.615) 18.773 8.201 ( 0.000 2.947 -2.320) 3.751 8.203 ( 0.000 8.539 -14.145) 16.523 8.268 ( 0.000 0.896 3.750) 3.856 8.347 ( 0.000 -0.445 6.778) 6.793 8.428 ( 0.000 -6.053 -11.644) 13.124 8.493 ( 0.000 -5.244 -1.977) 5.604 8.517 ( 0.000 -7.077 -0.596) 7.102 8.610 ( 0.000 4.029 -12.907) 13.521 8.793 ( 0.000 0.239 -15.030) 15.032 8.872 ( 0.000 7.030 -11.765) 13.705 8.905 ( 0.000 1.789 -14.818) 14.926 9.053 ( 0.000 -7.414 -15.989) 17.625 9.153 ( 0.000 -0.692 -8.992) 9.019 9.249 ( 0.000 0.678 -7.548) 7.579 9.331 ( 0.000 0.123 -2.443) 2.446 9.506 ( 0.000 -6.445 -20.025) 21.036 9.537 ( 0.000 1.573 -6.364) 6.556 9.613 ( 0.000 -3.998 1.139) 4.157 9.652 ( 0.000 -4.313 -0.991) 4.426 9.730 ( 0.000 5.114 -0.248) 5.120 9.753 ( 0.000 -0.972 3.162) 3.308 9.812 ( 0.000 -2.599 -0.803) 2.721 9.839 ( 0.000 1.308 -3.965) 4.175 9.925 ( 0.000 2.399 -1.250) 2.705 10.048 ( 0.000 -1.861 -3.979) 4.392 10.223 ( 0.000 -1.503 7.411) 7.562 10.239 ( 0.000 -0.616 5.997) 6.029 10.387 ( 0.000 -0.553 1.712) 1.799 10.397 ( 0.000 -2.807 6.633) 7.202 10.507 ( 0.000 -1.969 0.276) 1.988 10.514 ( 0.000 -2.262 4.969) 5.459 10.604 ( 0.000 0.060 -1.426) 1.427 10.616 ( 0.000 -0.377 0.101) 0.390 10.657 ( 0.000 -0.378 0.484) 0.614 10.704 ( 0.000 -2.736 -6.664) 7.204 10.767 ( 0.000 11.670 -1.695) 11.793 10.835 ( 0.000 0.626 5.523) 5.559 10.937 ( 0.000 3.012 6.155) 6.853 11.042 ( 0.000 3.467 2.296) 4.158 11.127 ( 0.000 3.386 6.282) 7.136 11.160 ( 0.000 1.746 10.324) 10.470 11.217 ( 0.000 4.048 1.161) 4.212 11.244 ( 0.000 3.891 5.740) 6.935 11.363 ( 0.000 -1.378 0.245) 1.399 11.409 ( 0.000 0.902 -2.020) 2.212 11.507 ( 0.000 6.164 -2.299) 6.579 11.573 ( 0.000 -4.084 8.236) 9.193 11.589 ( 0.000 -9.878 0.498) 9.891 11.694 ( 0.000 0.569 -1.756) 1.846 11.782 ( 0.000 -2.021 -3.648) 4.170 11.817 ( 0.000 -1.202 -3.170) 3.390 11.874 ( 0.000 -4.662 4.138) 6.234 11.896 ( 0.000 -0.523 0.637) 0.824 12.057 ( 0.000 0.966 1.902) 2.133 12.122 ( 0.000 0.913 -6.258) 6.324 12.150 ( 0.000 -4.099 -2.501) 4.802 12.204 ( 0.000 -1.433 -8.144) 8.269 12.413 ( 0.000 2.564 11.099) 11.392 12.417 ( 0.000 0.106 5.876) 5.877 12.489 ( 0.000 4.019 1.784) 4.397 12.560 ( 0.000 0.386 -2.092) 2.127 12.700 ( 0.000 4.845 -1.284) 5.012 12.735 ( 0.000 5.366 2.963) 6.129 12.846 ( 0.000 -0.778 1.891) 2.045 12.881 ( 0.000 1.058 -2.142) 2.389 12.951 ( 0.000 0.494 -0.163) 0.520 12.969 ( 0.000 0.371 -3.298) 3.319 12.984 ( 0.000 -0.133 -0.774) 0.786 13.011 ( 0.000 0.103 2.915) 2.916 13.035 ( 0.000 1.033 2.545) 2.747 13.064 ( 0.000 3.517 0.818) 3.611 13.115 ( 0.000 2.028 1.972) 2.828 13.131 ( 0.000 0.308 1.757) 1.783 13.220 ( 0.000 -1.052 -4.387) 4.511 13.266 ( 0.000 -1.116 -0.984) 1.488 13.283 ( 0.000 -3.860 2.585) 4.645 13.397 ( 0.000 -8.030 3.428) 8.732 13.563 ( 0.000 2.402 -0.244) 2.414 13.575 ( 0.000 1.810 -7.237) 7.460 13.626 ( 0.000 -3.217 -2.024) 3.801 13.653 ( 0.000 -4.614 2.382) 5.193 13.769 ( 0.000 -2.082 -1.933) 2.841 13.781 ( 0.000 -5.760 1.420) 5.932 13.942 ( 0.000 6.154 3.461) 7.060 13.989 ( 0.000 -0.401 2.449) 2.481 14.098 ( 0.000 -4.800 4.774) 6.770 14.248 ( 0.000 8.064 0.144) 8.065 14.254 ( 0.000 -11.414 -2.720) 11.734 14.347 ( 0.000 4.284 -2.648) 5.037 14.546 ( 0.000 11.975 5.000) 12.977 14.650 ( 0.000 0.337 9.415) 9.421 14.667 ( 0.000 6.366 -0.530) 6.388 14.763 ( 0.000 -6.420 9.047) 11.094 14.932 ( 0.000 -6.207 -0.032) 6.207 14.942 ( 0.000 -5.026 -0.802) 5.090 15.239 ( 0.000 13.707 -4.540) 14.440 15.357 ( 0.000 -0.448 -4.969) 4.989 15.426 ( 0.000 -2.333 0.687) 2.432 15.606 ( 0.000 2.664 -0.251) 2.676 15.627 ( 0.000 -4.105 -7.795) 8.810 15.686 ( 0.000 -1.451 -4.927) 5.136 15.848 ( 0.000 1.444 0.286) 1.472 15.907 ( 0.000 -1.145 -1.857) 2.182 16.116 ( 0.000 3.631 1.210) 3.827 16.263 ( 0.000 1.637 6.044) 6.262 16.308 ( 0.000 -5.870 -1.357) 6.025 16.369 ( 0.000 -2.744 -3.882) 4.754 16.453 ( 0.000 1.774 0.829) 1.958 16.509 ( 0.000 -0.995 -0.644) 1.185 16.599 ( 0.000 6.095 11.128) 12.688 16.851 ( 0.000 -6.301 12.815) 14.280 17.036 ( 0.000 7.806 -4.436) 8.979 17.131 ( 0.000 1.099 5.689) 5.794 17.174 ( 0.000 -1.575 4.228) 4.512 17.414 ( 0.000 -1.840 -7.731) 7.947 17.613 ( 0.000 -14.948 -1.283) 15.003 17.618 ( 0.000 -5.392 -4.670) 7.133 18.334 ( 0.000 17.136 7.788) 18.823 18.448 ( 0.000 3.128 1.428) 3.439 18.457 ( 0.000 -0.343 0.126) 0.365 18.802 ( 0.000 -3.404 -8.485) 9.142 19.575 ( 0.000 2.314 -1.199) 2.606 19.641 ( 0.000 -0.785 -3.474) 3.562 20.350 ( 0.000 0.186 0.021) 0.187 20.357 ( 0.000 -0.108 -0.305) 0.323 20.534 ( 0.000 1.851 -1.206) 2.209 20.581 ( 0.000 1.841 -2.270) 2.923 21.027 ( 0.000 -8.486 1.694) 8.653 21.179 ( 0.000 -10.695 -5.594) 12.070 21.488 ( 0.000 5.862 1.073) 5.960 21.512 ( 0.000 3.847 -0.005) 3.847 22.069 ( 0.000 -4.306 1.214) 4.473 22.092 ( 0.000 -6.542 0.749) 6.585 22.318 ( 0.000 7.813 3.617) 8.610 22.500 ( 0.000 7.696 -3.725) 8.550 22.539 ( 0.000 1.934 1.683) 2.564 22.795 ( 0.000 -3.413 -8.264) 8.941 25.171 ( 0.000 2.480 7.591) 7.985 25.349 ( 0.000 -5.201 0.873) 5.274 25.451 ( 0.000 -0.242 -0.077) 0.254 25.517 ( 0.000 -1.910 -1.711) 2.564 28.988 ( 0.000 1.275 2.313) 2.641 29.052 ( 0.000 -1.156 -1.294) 1.735 29.191 ( 0.000 -1.967 0.593) 2.054 29.192 ( 0.000 -0.867 -0.174) 0.885 29.582 ( 0.000 0.343 5.285) 5.296 29.598 ( 0.000 -0.393 5.579) 5.593 29.752 ( 0.000 0.467 -3.284) 3.317 29.776 ( 0.000 -0.719 -3.294) 3.371 34.428 ( 0.000 2.461 0.016) 2.461 34.475 ( 0.000 0.555 -1.722) 1.809 34.493 ( 0.000 -0.864 -1.139) 1.430 34.499 ( 0.000 -0.492 -1.060) 1.169 97.724 ( 0.000 1.162 5.144) 5.273 97.819 ( 0.000 -4.059 2.662) 4.854 97.899 ( 0.000 0.547 -2.164) 2.232 97.914 ( 0.000 -0.296 -1.164) 1.201 100.004 ( 0.000 7.381 -1.522) 7.536 100.093 ( 0.000 0.874 -4.324) 4.411 100.287 ( 0.000 0.337 0.174) 0.380 100.362 ( 0.000 -2.164 -4.082) 4.620 ======================= Grid point 122 (44/72) ======================= q-point: ( 0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 18.528 17.862 35.291) 43.678 2.084 ( 17.213 23.799 32.485) 43.794 2.997 ( 13.264 -29.631 24.016) 40.381 3.127 ( 10.287 -25.719 6.434) 28.438 3.448 ( 25.956 19.645 38.231) 50.212 3.526 ( 11.147 14.272 -17.382) 25.101 3.585 ( 7.984 0.516 -20.825) 22.309 4.095 ( 3.522 -9.599 -11.726) 15.558 4.147 ( 6.946 19.148 4.939) 20.960 4.221 ( 5.619 -16.686 -21.768) 27.997 4.397 ( 11.206 18.945 17.678) 28.231 4.773 ( 0.642 3.941 -10.611) 11.337 4.993 ( 9.460 -25.458 17.289) 32.194 5.100 ( 3.772 15.706 -10.401) 19.211 5.142 ( 10.319 -7.855 4.349) 13.679 5.236 ( 5.382 -2.271 0.503) 5.863 5.377 ( -0.028 -7.195 -0.403) 7.206 5.499 ( 4.784 -6.271 5.889) 9.843 5.611 ( 3.527 -4.937 -7.616) 9.738 5.663 ( 4.173 -4.539 -20.678) 21.578 5.868 ( 2.977 0.644 2.289) 3.810 5.926 ( 2.974 2.577 1.275) 4.136 5.974 ( 0.411 0.565 5.433) 5.478 5.985 ( 1.566 -5.385 2.421) 6.108 6.059 ( -3.867 2.686 7.889) 9.187 6.204 ( 5.226 -1.155 -5.004) 7.327 6.281 ( -2.778 5.117 8.006) 9.899 6.373 ( -0.965 5.846 3.907) 7.097 6.551 ( -2.859 -8.106 1.826) 8.787 6.668 ( -5.070 -8.594 4.668) 11.016 6.727 ( -2.277 -0.613 0.671) 2.452 6.803 ( -6.125 -0.399 5.093) 7.976 6.865 ( -4.879 1.815 -4.130) 6.645 6.903 ( -5.880 1.373 14.061) 15.303 6.940 ( -3.168 2.437 -7.626) 8.610 6.980 ( -2.873 -0.573 1.743) 3.409 7.096 ( -0.226 0.722 -7.924) 7.960 7.195 ( 3.992 -3.352 -2.250) 5.678 7.260 ( -9.156 6.136 0.793) 11.051 7.373 ( -10.155 5.011 18.451) 21.649 7.466 ( -5.933 1.570 3.940) 7.293 7.504 ( -12.540 -0.631 11.406) 16.963 7.574 ( -4.088 3.757 8.745) 10.358 7.695 ( -1.905 -2.777 -0.913) 3.489 7.779 ( -4.684 13.200 -4.593) 14.741 7.816 ( -0.373 3.975 -4.889) 6.312 7.862 ( -13.413 -0.316 -9.950) 16.703 7.936 ( -7.381 3.101 -6.148) 10.094 8.010 ( 0.767 -0.005 8.562) 8.596 8.086 ( -0.988 2.276 -5.480) 6.016 8.206 ( -5.703 3.489 -6.292) 9.181 8.273 ( 2.326 3.860 -7.639) 8.870 8.343 ( 1.340 -5.028 -1.287) 5.360 8.432 ( -1.695 0.166 -5.059) 5.338 8.537 ( -1.142 1.298 -10.101) 10.248 8.609 ( 10.235 1.198 -0.046) 10.305 8.705 ( 5.645 -1.424 -8.450) 10.262 8.720 ( -6.784 -0.026 -15.722) 17.123 8.881 ( 0.850 -3.846 0.274) 3.948 8.958 ( 5.187 5.138 -9.026) 11.609 8.996 ( -2.121 -7.213 -8.291) 11.192 9.100 ( -3.361 -4.425 -13.826) 14.901 9.241 ( -7.046 -0.447 -5.265) 8.807 9.313 ( -1.661 -4.068 -7.106) 8.355 9.379 ( -5.446 0.647 -7.577) 9.353 9.548 ( -2.996 -1.482 -6.134) 6.985 9.645 ( 2.292 0.613 2.113) 3.177 9.730 ( 1.819 1.045 0.190) 2.106 9.742 ( 4.220 1.180 -0.732) 4.443 9.772 ( -1.315 -2.875 1.527) 3.511 9.817 ( 3.225 -0.960 2.505) 4.195 9.874 ( 1.774 -2.442 -5.204) 6.016 9.924 ( -0.506 1.584 -2.962) 3.397 9.960 ( 1.060 0.954 -2.233) 2.649 10.173 ( -3.038 -0.732 0.235) 3.134 10.230 ( -2.559 -1.890 4.863) 5.811 10.311 ( -4.009 0.415 -0.662) 4.084 10.324 ( -6.710 1.941 0.163) 6.987 10.418 ( -5.787 0.514 1.471) 5.993 10.452 ( -9.095 -1.119 -2.463) 9.489 10.529 ( -4.602 -1.581 -1.427) 5.071 10.566 ( -1.586 -3.005 -3.394) 4.803 10.810 ( 1.851 6.831 0.981) 7.145 10.844 ( 11.599 -3.827 5.694) 13.477 10.862 ( 8.391 -2.574 6.079) 10.677 10.900 ( 5.898 5.317 3.108) 8.527 11.001 ( 4.945 1.198 2.503) 5.670 11.069 ( 2.576 2.076 -0.054) 3.309 11.192 ( 0.697 4.297 5.829) 7.276 11.202 ( 2.000 -0.652 3.997) 4.517 11.241 ( 6.593 3.470 7.630) 10.665 11.287 ( 5.387 -1.223 3.581) 6.583 11.385 ( 2.641 -0.033 2.605) 3.710 11.449 ( 4.934 2.192 3.618) 6.499 11.531 ( -0.542 -7.613 2.355) 7.987 11.593 ( 5.538 2.671 1.850) 6.421 11.638 ( -0.339 2.936 -4.997) 5.805 11.697 ( 3.324 -1.279 -0.691) 3.628 11.757 ( -1.139 -0.239 -4.855) 4.992 11.848 ( 6.106 -4.431 -1.363) 7.666 11.928 ( 3.111 -0.064 4.103) 5.150 11.957 ( 6.843 -0.976 1.688) 7.115 12.008 ( -3.888 0.324 -0.627) 3.952 12.068 ( -3.250 -1.163 -2.117) 4.050 12.161 ( -1.320 0.022 -2.704) 3.009 12.244 ( 2.367 -3.110 -1.980) 4.382 12.306 ( -9.403 4.391 0.959) 10.422 12.387 ( -4.324 -1.531 6.439) 7.906 12.418 ( -4.998 -0.886 3.718) 6.292 12.469 ( -5.658 4.321 -0.946) 7.182 12.637 ( -5.863 3.466 2.134) 7.137 12.721 ( -2.963 9.796 4.067) 11.012 12.788 ( -5.356 -1.770 -1.264) 5.781 12.825 ( -1.919 -2.797 1.263) 3.619 12.890 ( -5.787 -3.796 1.406) 7.062 12.950 ( -1.913 2.437 -0.780) 3.194 12.990 ( -0.841 2.099 -0.232) 2.273 13.018 ( 2.054 0.312 -1.380) 2.494 13.059 ( 0.540 1.263 -2.087) 2.499 13.070 ( -2.944 -0.631 0.888) 3.139 13.087 ( -1.118 0.852 -0.484) 1.486 13.166 ( -1.597 -3.048 -4.951) 6.029 13.219 ( -0.660 -2.496 1.781) 3.137 13.247 ( 4.262 -0.147 1.835) 4.642 13.333 ( 8.083 0.160 3.010) 8.627 13.455 ( -0.565 -3.676 2.684) 4.586 13.537 ( -2.690 1.042 -1.130) 3.099 13.585 ( -0.748 1.899 -1.462) 2.511 13.638 ( 1.010 -0.821 3.348) 3.593 13.704 ( -2.211 -3.058 -1.665) 4.125 13.731 ( -4.130 2.185 -2.142) 5.140 13.800 ( 3.561 -2.861 0.538) 4.599 13.928 ( -1.265 -0.946 -2.799) 3.214 13.995 ( -0.045 -5.292 0.401) 5.307 14.061 ( 4.879 1.810 1.223) 5.346 14.227 ( 5.644 -0.873 0.375) 5.723 14.302 ( -1.164 -3.049 3.647) 4.894 14.388 ( -0.363 2.149 0.108) 2.182 14.496 ( -7.996 1.990 4.171) 9.236 14.613 ( -2.276 6.315 -1.587) 6.898 14.696 ( 6.249 4.531 3.173) 8.346 14.745 ( 2.496 -5.741 1.969) 6.562 14.971 ( 3.045 -0.536 3.847) 4.935 15.007 ( 4.544 -3.350 0.375) 5.658 15.222 ( -1.596 8.503 -3.323) 9.267 15.324 ( -2.562 0.564 -3.122) 4.078 15.403 ( -1.921 -1.774 2.916) 3.917 15.532 ( -2.737 -2.661 -1.402) 4.067 15.682 ( 2.851 -0.762 -2.217) 3.691 15.731 ( 3.842 -0.002 -5.027) 6.327 15.973 ( 5.584 0.098 0.187) 5.588 16.004 ( 9.811 -0.530 -2.588) 10.161 16.094 ( -1.315 4.202 -0.150) 4.406 16.208 ( -4.019 1.801 4.674) 6.423 16.300 ( -3.004 -3.346 -3.742) 5.850 16.356 ( -1.746 -2.563 -1.488) 3.440 16.424 ( -0.723 1.162 1.048) 1.724 16.492 ( 1.010 -0.775 4.584) 4.758 16.688 ( 5.841 3.220 6.686) 9.445 16.861 ( 1.244 -5.080 10.410) 11.650 17.075 ( 2.480 4.408 -1.335) 5.231 17.131 ( -0.504 1.602 2.850) 3.308 17.181 ( 2.707 0.863 3.207) 4.285 17.427 ( 1.447 -0.292 -7.066) 7.218 17.587 ( -1.752 -8.893 -2.342) 9.361 17.620 ( -0.479 -10.881 -2.196) 11.111 18.201 ( -11.379 14.679 4.039) 19.007 18.445 ( -4.109 1.563 -0.403) 4.415 18.459 ( -2.184 1.431 -0.839) 2.742 18.478 ( -15.694 -1.499 1.382) 15.826 19.631 ( 4.044 3.638 1.174) 5.565 19.807 ( 6.797 -3.769 -9.149) 12.005 20.429 ( 7.388 1.152 -0.094) 7.477 20.468 ( 8.795 -0.535 -2.818) 9.250 20.555 ( 2.509 0.474 -1.480) 2.951 20.620 ( 5.411 1.307 -1.483) 5.761 20.999 ( -1.991 -5.631 -0.223) 5.977 21.221 ( 3.781 -10.127 -2.901) 11.192 21.414 ( -5.531 6.268 0.046) 8.359 21.524 ( -0.426 1.774 1.495) 2.359 22.014 ( -5.692 -4.100 2.235) 7.362 22.036 ( -5.350 -5.414 0.854) 7.659 22.289 ( -2.795 7.522 2.769) 8.489 22.454 ( -5.045 12.158 -5.974) 14.456 22.498 ( -3.124 -3.162 4.363) 6.228 22.742 ( -5.199 -3.729 -7.731) 10.035 25.170 ( -0.082 2.012 7.337) 7.608 25.313 ( -3.478 -5.076 4.627) 7.699 25.418 ( -2.317 1.952 -1.539) 3.398 25.496 ( -2.020 -1.763 -2.101) 3.406 28.992 ( 0.401 1.121 2.290) 2.581 29.053 ( 0.031 -1.448 -0.707) 1.612 29.152 ( -2.832 -0.027 1.753) 3.331 29.180 ( -1.218 -0.911 -0.377) 1.567 29.644 ( 5.896 0.168 5.453) 8.033 29.649 ( 5.275 -0.087 5.707) 7.771 29.833 ( 6.179 0.461 -4.224) 7.499 29.881 ( 9.994 -2.060 -7.262) 12.524 34.414 ( -1.292 2.072 0.444) 2.482 34.468 ( -0.833 0.378 -1.929) 2.135 34.475 ( -1.724 -0.864 -0.871) 2.115 34.485 ( -1.372 -0.356 -1.137) 1.817 97.723 ( -0.035 0.965 4.877) 4.971 97.796 ( -1.991 -2.854 3.732) 5.103 97.887 ( -1.088 0.636 -2.415) 2.724 97.902 ( -1.182 -0.237 -1.349) 1.809 99.982 ( -1.396 5.526 0.377) 5.712 100.099 ( -0.109 -0.195 -4.672) 4.678 100.279 ( -0.983 0.455 -0.623) 1.250 100.336 ( -2.588 -1.305 -3.273) 4.372 ======================= Grid point 123 (45/72) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 26.791 17.630 26.303) 41.478 2.583 ( 32.391 14.640 24.331) 43.076 3.328 ( 20.204 -23.426 13.968) 33.943 3.407 ( 18.066 -19.450 1.360) 26.581 3.708 ( 14.512 4.833 -27.366) 31.350 3.850 ( 17.217 -0.287 -13.084) 21.626 4.095 ( 25.728 -0.512 7.358) 26.764 4.247 ( 14.181 10.285 11.051) 20.713 4.352 ( 9.675 -15.501 -18.757) 26.187 4.418 ( 23.137 11.899 11.487) 28.441 4.680 ( 17.104 22.380 18.831) 33.882 4.798 ( 2.759 6.872 -8.667) 11.400 5.148 ( 3.461 0.735 0.518) 3.576 5.180 ( 5.526 3.493 -2.947) 7.171 5.297 ( 4.005 3.168 -2.058) 5.506 5.394 ( 3.557 -9.473 8.750) 13.377 5.477 ( 15.532 -14.436 11.961) 24.345 5.602 ( 4.682 -4.335 5.789) 8.615 5.645 ( -1.043 -7.799 0.103) 7.869 5.770 ( 3.972 -3.579 -0.477) 5.368 5.883 ( -4.413 -2.592 1.105) 5.236 5.946 ( -5.594 -4.085 8.167) 10.709 5.950 ( 3.151 2.903 5.829) 7.234 5.999 ( 0.427 -1.658 4.804) 5.100 6.037 ( 2.051 0.658 2.975) 3.673 6.197 ( -2.296 -2.367 3.013) 4.467 6.305 ( -3.763 3.483 3.849) 6.411 6.346 ( 1.218 -1.010 2.295) 2.788 6.486 ( -4.690 2.250 7.207) 8.888 6.530 ( -4.443 -2.586 4.028) 6.531 6.631 ( -6.801 4.807 10.107) 13.096 6.687 ( -3.643 0.536 2.677) 4.553 6.726 ( -10.326 -0.863 3.128) 10.824 6.785 ( -5.934 -2.724 -0.907) 6.592 6.836 ( -4.657 3.091 2.365) 6.069 6.943 ( -13.043 -2.738 7.929) 15.508 6.981 ( -3.526 -5.827 -2.685) 7.321 7.075 ( -12.355 -0.504 -0.390) 12.372 7.165 ( -8.518 -5.912 -1.457) 10.471 7.201 ( -1.247 4.623 2.979) 5.639 7.316 ( -5.935 -2.482 1.004) 6.511 7.357 ( -9.266 -3.570 0.938) 9.975 7.496 ( -7.364 2.580 -9.318) 12.153 7.522 ( -7.076 0.652 -8.825) 11.330 7.631 ( -3.021 8.148 -12.376) 15.122 7.687 ( -3.017 2.437 0.261) 3.887 7.732 ( -10.331 4.896 -11.036) 15.890 7.913 ( -6.209 5.719 -10.072) 13.142 7.955 ( 1.019 12.680 -8.132) 15.098 8.043 ( -1.638 4.421 6.611) 8.120 8.158 ( -7.400 -2.004 -13.368) 15.410 8.230 ( 1.052 0.424 -1.096) 1.577 8.419 ( 3.265 10.305 -7.566) 13.195 8.460 ( 4.100 -10.253 -1.847) 11.196 8.539 ( 1.971 4.883 -8.100) 9.661 8.583 ( -3.162 -4.058 -10.798) 11.961 8.696 ( -4.440 2.676 -8.367) 9.843 8.769 ( -4.448 -2.465 -12.447) 13.446 8.838 ( -7.373 -0.646 -4.561) 8.694 8.884 ( -1.251 -8.682 -2.791) 9.205 9.040 ( 0.537 1.342 -6.704) 6.858 9.100 ( 6.834 -2.320 2.598) 7.671 9.163 ( 0.714 -2.493 3.740) 4.551 9.277 ( -0.361 -4.351 -6.071) 7.478 9.387 ( 5.130 0.023 -1.382) 5.313 9.487 ( -2.266 -2.194 -3.984) 5.081 9.608 ( -4.146 2.164 2.114) 5.133 9.708 ( -1.357 2.265 2.170) 3.417 9.766 ( -1.341 -1.831 2.208) 3.166 9.812 ( -0.799 -1.048 -0.185) 1.331 9.818 ( 0.981 1.445 -0.875) 1.954 9.911 ( 1.458 -0.944 -2.863) 3.349 9.991 ( 3.972 -0.236 -5.548) 6.827 10.047 ( 1.267 -0.975 -5.618) 5.841 10.115 ( -1.524 0.037 0.238) 1.543 10.152 ( -4.117 1.402 -4.356) 6.156 10.231 ( -3.735 0.061 -0.225) 3.742 10.258 ( -2.113 -0.603 0.040) 2.198 10.269 ( -4.273 3.846 -2.118) 6.126 10.324 ( -4.970 2.295 0.196) 5.478 10.430 ( -5.961 -2.706 0.831) 6.599 10.511 ( -4.792 -3.186 -3.550) 6.761 10.820 ( -0.208 3.472 4.514) 5.699 10.902 ( -0.757 -1.033 5.849) 5.988 10.985 ( 1.270 1.972 3.442) 4.165 11.052 ( 7.114 -2.135 0.532) 7.446 11.065 ( 1.356 -0.334 0.593) 1.517 11.120 ( 3.697 2.700 -1.543) 4.831 11.184 ( -0.131 -0.112 8.029) 8.031 11.268 ( 2.007 0.835 2.981) 3.690 11.359 ( 6.107 1.240 2.280) 6.636 11.389 ( 2.279 -4.836 1.748) 5.625 11.436 ( 0.553 -5.092 5.876) 7.795 11.487 ( 0.686 -1.299 -2.260) 2.695 11.586 ( -1.739 -0.991 -1.756) 2.662 11.609 ( 0.706 1.174 -2.406) 2.769 11.663 ( 8.462 4.029 3.300) 9.936 11.732 ( 0.125 -2.459 0.855) 2.607 11.833 ( 2.791 0.627 -3.621) 4.614 11.894 ( -4.322 4.668 1.306) 6.495 11.927 ( -3.378 -4.029 -3.586) 6.364 11.968 ( -1.432 6.889 3.208) 7.733 12.099 ( 6.147 1.513 -0.796) 6.380 12.108 ( 3.159 -4.279 1.043) 5.420 12.130 ( -5.394 0.462 2.018) 5.777 12.211 ( 2.840 1.248 6.022) 6.774 12.232 ( -1.017 -4.054 -0.198) 4.184 12.334 ( -0.041 3.373 3.612) 4.942 12.342 ( 6.488 -0.487 0.639) 6.537 12.447 ( 0.138 5.463 4.122) 6.845 12.546 ( -1.403 -1.313 6.005) 6.305 12.623 ( -3.366 12.130 -0.835) 12.616 12.683 ( -6.002 -5.716 -0.411) 8.299 12.736 ( -7.545 -3.283 -0.018) 8.229 12.792 ( -4.683 -7.682 0.838) 9.036 12.886 ( -4.199 0.354 -0.314) 4.225 12.912 ( -4.537 3.200 -4.234) 6.982 12.989 ( -3.534 2.238 1.070) 4.318 13.037 ( -0.239 -1.241 -1.968) 2.339 13.052 ( -1.612 -1.602 1.816) 2.909 13.136 ( 3.142 1.743 -1.666) 3.960 13.178 ( -2.756 -1.804 2.574) 4.180 13.235 ( 1.627 -2.466 -4.422) 5.318 13.257 ( -1.612 -1.313 -2.363) 3.147 13.365 ( -10.494 1.204 -3.616) 11.165 13.396 ( -8.806 -0.051 1.154) 8.882 13.449 ( -4.775 6.343 1.578) 8.095 13.486 ( 0.172 2.263 1.410) 2.672 13.559 ( 5.205 -1.268 -0.103) 5.359 13.663 ( -0.247 -3.683 3.325) 4.968 13.781 ( 5.491 4.986 2.088) 7.706 13.916 ( 6.645 -3.359 1.076) 7.524 14.010 ( 7.427 -4.725 1.048) 8.865 14.072 ( 4.431 -6.687 2.801) 8.497 14.113 ( -3.858 0.758 4.267) 5.802 14.272 ( 1.979 2.452 2.424) 3.976 14.299 ( -2.644 -2.516 -1.313) 3.879 14.389 ( 7.060 -2.242 -0.814) 7.452 14.455 ( 2.365 6.914 0.192) 7.310 14.540 ( -3.057 6.733 -1.509) 7.547 14.806 ( 2.022 -5.031 0.047) 5.422 14.865 ( 7.100 -2.634 -1.731) 7.768 15.037 ( 2.772 0.347 1.717) 3.279 15.066 ( 2.277 -0.362 -0.181) 2.313 15.173 ( -2.768 4.068 -1.156) 5.055 15.263 ( -4.250 5.418 -4.168) 8.049 15.360 ( -1.774 -4.287 4.809) 6.682 15.528 ( 0.808 -8.773 2.658) 9.203 15.724 ( 0.332 3.464 -1.500) 3.790 15.819 ( 5.635 0.971 3.418) 6.662 16.020 ( -0.036 1.664 2.439) 2.953 16.089 ( -1.210 2.067 -0.411) 2.430 16.127 ( 0.617 1.133 1.011) 1.639 16.154 ( 2.060 1.490 -3.033) 3.958 16.236 ( -2.877 -0.758 -7.996) 8.531 16.281 ( -3.362 2.734 -1.716) 4.661 16.473 ( 3.616 -4.126 3.254) 6.378 16.530 ( 2.490 -4.185 4.722) 6.783 16.779 ( 3.480 3.250 7.652) 9.013 16.905 ( 2.645 -2.495 9.122) 9.820 17.082 ( -1.110 1.189 2.925) 3.347 17.138 ( 2.273 -2.148 -2.196) 3.821 17.292 ( 6.050 5.874 -0.943) 8.485 17.466 ( 1.779 1.348 -5.295) 5.746 17.563 ( -0.154 -5.546 -2.106) 5.934 17.613 ( 0.828 -9.427 -0.019) 9.464 17.997 ( -8.423 7.920 -3.848) 12.186 18.101 ( -14.197 2.315 0.338) 14.389 18.469 ( 1.208 -0.102 0.251) 1.238 18.481 ( 1.321 -0.314 -0.696) 1.526 19.683 ( 1.352 3.791 1.634) 4.344 19.841 ( -1.321 -2.991 -6.867) 7.606 20.568 ( 3.980 1.099 -2.195) 4.676 20.571 ( 5.115 2.702 -1.391) 5.949 20.639 ( 5.872 -2.694 0.058) 6.461 20.776 ( 5.724 -6.118 -2.867) 8.855 20.993 ( 2.784 3.397 -1.716) 4.715 21.265 ( -4.169 6.945 -0.501) 8.115 21.341 ( 2.928 -8.491 0.621) 9.003 21.492 ( -2.886 -2.071 3.326) 4.866 21.867 ( -8.587 -2.044 2.379) 9.142 21.900 ( -8.423 -3.400 0.140) 9.084 22.221 ( -3.920 6.355 1.207) 7.563 22.333 ( -6.611 8.930 -4.454) 11.971 22.434 ( -3.501 -2.280 2.840) 5.052 22.617 ( -7.088 -4.009 -6.288) 10.289 25.172 ( 0.405 1.154 6.439) 6.554 25.246 ( -2.664 -2.462 7.136) 8.006 25.378 ( -1.964 1.864 -2.808) 3.901 25.445 ( -3.051 -1.374 -2.603) 4.239 29.003 ( 0.760 0.794 2.045) 2.322 29.051 ( -0.201 -1.612 0.788) 1.805 29.108 ( -1.650 1.269 0.553) 2.154 29.148 ( -1.916 -0.801 -0.869) 2.251 29.777 ( 8.032 0.522 5.220) 9.593 29.802 ( 9.433 -0.590 5.657) 11.015 29.974 ( 7.692 1.683 -4.672) 9.156 30.072 ( 8.852 -2.872 -8.878) 12.862 34.384 ( -1.704 1.417 0.852) 2.374 34.433 ( -2.410 -0.835 -0.458) 2.592 34.443 ( -1.768 0.145 -1.774) 2.509 34.449 ( -2.188 -0.154 -1.329) 2.564 97.725 ( 0.262 0.592 4.118) 4.168 97.762 ( -1.221 -1.180 3.992) 4.339 97.863 ( -1.376 0.374 -2.380) 2.774 97.873 ( -1.720 -0.128 -1.583) 2.341 99.966 ( -0.195 3.230 1.707) 3.658 100.084 ( -1.189 -1.946 -3.493) 4.172 100.245 ( -2.620 0.473 -1.630) 3.121 100.271 ( -3.840 0.075 -1.828) 4.254 ======================= Grid point 124 (46/72) ======================= q-point: ( 0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 31.448 11.848 19.441) 38.824 3.251 ( 35.481 8.849 18.648) 41.048 3.761 ( 23.324 -16.123 1.253) 28.382 3.797 ( 22.662 -13.104 3.372) 26.394 4.058 ( 20.326 0.261 -11.336) 23.275 4.204 ( 18.660 -0.030 -11.953) 22.160 4.388 ( 12.143 -8.918 -9.974) 18.068 4.553 ( 13.797 4.536 -5.108) 15.395 4.588 ( 15.484 0.624 -1.256) 15.548 4.884 ( 6.164 4.791 -2.111) 8.088 4.897 ( 15.294 15.087 9.296) 23.408 5.108 ( 18.185 8.610 15.334) 25.297 5.160 ( 5.658 2.631 4.593) 7.748 5.244 ( -0.637 2.412 0.478) 2.541 5.349 ( 2.203 5.375 -1.582) 6.021 5.412 ( -4.763 -4.629 11.717) 13.468 5.517 ( -6.832 -0.685 8.518) 10.941 5.604 ( -7.544 -4.398 10.717) 13.824 5.669 ( -0.420 0.365 3.058) 3.108 5.716 ( -7.032 -0.688 5.832) 9.161 5.826 ( -2.492 -5.216 8.041) 9.903 5.891 ( 3.065 -0.274 3.458) 4.629 5.934 ( -5.050 -1.268 3.456) 6.250 5.992 ( -3.393 -2.927 4.480) 6.337 6.070 ( -2.165 -2.596 0.243) 3.389 6.175 ( -5.022 0.451 6.100) 7.914 6.187 ( -2.150 -3.910 2.513) 5.121 6.297 ( -2.390 -1.424 7.501) 8.000 6.398 ( -4.471 2.107 2.610) 5.589 6.504 ( -8.132 -3.683 1.678) 9.084 6.533 ( -0.945 1.402 7.635) 7.820 6.565 ( -0.596 -0.217 7.214) 7.242 6.588 ( -6.939 -1.288 4.711) 8.485 6.692 ( -9.007 -1.014 3.293) 9.644 6.752 ( -7.571 -5.198 0.673) 9.208 6.761 ( 2.324 -2.569 -0.659) 3.526 6.844 ( 0.903 -4.407 1.189) 4.653 6.912 ( -10.139 -2.343 -4.085) 11.179 7.004 ( -6.644 2.784 2.175) 7.525 7.083 ( -3.450 -0.660 5.035) 6.139 7.197 ( -7.689 -1.812 -11.176) 13.686 7.293 ( 0.515 -0.251 -8.113) 8.133 7.415 ( 0.744 5.218 -1.775) 5.561 7.459 ( -3.281 -0.631 -8.684) 9.305 7.496 ( -7.712 -2.470 -1.897) 8.317 7.583 ( -1.568 -2.114 0.795) 2.749 7.682 ( -4.485 6.027 -11.063) 13.373 7.862 ( -6.752 9.014 -10.218) 15.207 7.894 ( 1.161 9.430 -6.574) 11.553 8.015 ( 1.458 2.991 -5.308) 6.265 8.069 ( -2.380 4.755 1.069) 5.424 8.248 ( -5.768 -0.578 -5.186) 7.778 8.314 ( -4.782 1.961 -4.393) 6.783 8.393 ( -9.222 -3.565 -1.880) 10.064 8.540 ( -2.363 -6.109 -8.406) 10.656 8.627 ( -0.566 2.495 -9.136) 9.487 8.646 ( 3.740 -8.301 -13.088) 15.944 8.737 ( 8.262 3.080 -11.437) 14.442 8.803 ( 4.497 1.491 -1.314) 4.917 8.939 ( 4.791 -0.457 -5.625) 7.403 9.111 ( -4.066 -2.030 -0.033) 4.545 9.134 ( -3.411 -4.418 -1.675) 5.827 9.186 ( 8.885 7.261 -4.052) 12.169 9.307 ( 1.364 4.405 -3.496) 5.787 9.435 ( -1.902 -0.096 4.369) 4.766 9.500 ( 1.877 -3.167 0.034) 3.681 9.603 ( 3.024 -1.098 1.772) 3.673 9.664 ( -0.398 0.330 2.018) 2.083 9.732 ( -2.079 -0.375 -2.390) 3.190 9.792 ( -1.819 0.814 -0.472) 2.048 9.818 ( 2.126 -4.088 -1.920) 4.992 9.901 ( -2.660 -2.572 -3.083) 4.816 9.972 ( -4.474 1.263 -4.228) 6.283 10.046 ( -2.566 0.387 -5.643) 6.211 10.075 ( -5.292 1.454 1.728) 5.754 10.092 ( -1.895 2.180 -3.953) 4.895 10.158 ( -2.841 1.698 -0.340) 3.327 10.217 ( -0.174 -2.630 -2.379) 3.550 10.224 ( -0.811 0.492 -0.732) 1.198 10.265 ( -3.153 1.334 -1.779) 3.858 10.348 ( -3.320 -2.482 2.225) 4.705 10.401 ( -3.523 -2.550 -0.933) 4.448 10.827 ( 0.511 -0.622 1.723) 1.901 10.861 ( -3.961 -1.108 1.150) 4.271 10.954 ( -4.506 2.071 4.392) 6.625 11.022 ( -5.279 2.481 3.087) 6.599 11.125 ( -3.547 0.060 2.857) 4.555 11.138 ( 2.708 -4.527 -0.160) 5.278 11.222 ( 2.578 1.036 -1.326) 3.079 11.266 ( -2.705 0.376 0.900) 2.875 11.316 ( -2.029 -0.526 -3.632) 4.193 11.386 ( -3.023 -2.316 -2.103) 4.350 11.431 ( -6.080 3.711 -0.783) 7.166 11.554 ( 7.394 -1.696 1.061) 7.659 11.591 ( -1.083 0.670 3.688) 3.902 11.659 ( -2.316 -5.295 -4.305) 7.206 11.698 ( 6.765 -3.249 3.313) 8.203 11.790 ( 1.752 4.194 2.453) 5.164 11.832 ( 1.071 -4.674 0.574) 4.829 11.867 ( 0.388 3.348 2.026) 3.933 11.935 ( 3.068 3.826 -1.147) 5.036 11.948 ( -0.758 6.935 1.232) 7.085 12.033 ( -3.524 1.635 1.070) 4.030 12.061 ( -4.271 -1.928 -0.487) 4.711 12.092 ( -2.092 -1.365 -1.613) 2.973 12.147 ( -0.538 -1.964 0.287) 2.057 12.286 ( -6.971 2.287 6.068) 9.521 12.359 ( -3.359 2.028 3.541) 5.285 12.399 ( -2.039 -2.483 1.077) 3.388 12.466 ( 0.707 -0.448 5.940) 5.999 12.553 ( -0.343 3.776 -2.695) 4.652 12.576 ( -4.061 -5.289 2.854) 7.253 12.617 ( -3.404 -2.153 1.161) 4.192 12.645 ( 1.423 2.855 -3.009) 4.385 12.785 ( 3.046 -6.618 -1.052) 7.361 12.830 ( -0.354 4.453 -3.511) 5.682 12.856 ( -2.888 1.185 -0.116) 3.124 12.937 ( -0.045 0.440 -1.031) 1.122 13.025 ( -1.804 0.114 0.652) 1.922 13.044 ( 3.683 0.591 0.669) 3.790 13.094 ( -3.398 2.196 1.385) 4.277 13.112 ( -7.015 1.114 -0.802) 7.148 13.138 ( -2.363 0.210 0.825) 2.511 13.207 ( 0.585 -1.497 0.774) 1.784 13.282 ( 5.036 4.256 -4.136) 7.783 13.401 ( 3.851 1.719 -1.250) 4.398 13.476 ( 2.537 0.979 2.876) 3.958 13.514 ( 2.439 0.494 0.664) 2.576 13.627 ( 0.531 -2.272 1.624) 2.843 13.721 ( 6.398 -3.382 -0.669) 7.268 13.887 ( 5.239 -0.065 3.547) 6.328 13.998 ( 1.939 -7.098 3.749) 8.258 14.027 ( -3.520 0.926 6.031) 7.044 14.121 ( 1.706 -3.771 5.821) 7.142 14.168 ( 6.284 -1.726 4.779) 8.081 14.238 ( -0.886 -3.600 -0.560) 3.749 14.348 ( 4.074 10.131 -2.223) 11.143 14.440 ( 1.135 9.405 -0.389) 9.481 14.542 ( 1.592 -0.509 -0.004) 1.671 14.580 ( 6.179 -0.237 0.029) 6.184 14.781 ( -3.177 -5.358 -1.419) 6.389 14.918 ( -0.568 -6.357 -0.551) 6.406 15.059 ( 0.484 0.592 0.541) 0.937 15.088 ( -2.814 5.049 2.638) 6.354 15.145 ( 1.144 -1.279 0.280) 1.738 15.211 ( -1.248 3.215 -1.568) 3.788 15.326 ( -2.069 -2.631 3.237) 4.656 15.500 ( -4.638 -6.862 -2.144) 8.556 15.712 ( 0.917 4.085 1.574) 4.472 15.905 ( 0.796 0.307 9.183) 9.223 15.949 ( -5.843 3.068 0.184) 6.602 16.063 ( -4.702 -0.905 -1.594) 5.047 16.145 ( -0.196 0.424 -2.144) 2.194 16.164 ( 6.461 -1.824 -2.442) 7.144 16.257 ( 2.522 4.510 -4.571) 6.899 16.289 ( 3.929 3.545 -2.565) 5.881 16.531 ( 2.460 -3.972 3.236) 5.683 16.577 ( 2.235 -5.520 3.348) 6.832 16.823 ( 1.074 3.800 11.230) 11.904 16.933 ( 0.149 -1.025 9.184) 9.243 17.080 ( 1.501 2.115 -0.308) 2.612 17.200 ( 3.495 -4.453 -3.986) 6.923 17.341 ( -0.522 3.087 -0.219) 3.138 17.452 ( -2.941 -3.738 -0.364) 4.770 17.586 ( 1.762 1.768 0.070) 2.497 17.700 ( 6.718 -3.003 -4.278) 8.512 17.848 ( -7.012 4.826 -4.174) 9.480 17.950 ( -1.860 -0.503 -9.591) 9.783 18.496 ( 1.498 -0.181 -0.701) 1.664 18.509 ( 1.455 -0.247 -1.335) 1.990 19.699 ( 0.720 2.796 0.894) 3.022 19.803 ( -2.047 -1.761 -4.617) 5.349 20.634 ( 3.350 0.478 -1.802) 3.834 20.671 ( 5.420 1.803 -1.401) 5.881 20.735 ( 3.160 -3.898 1.416) 5.214 20.806 ( 0.044 -6.515 -1.903) 6.787 21.077 ( 3.561 8.088 -1.004) 8.894 21.148 ( -6.169 8.452 -0.562) 10.479 21.401 ( -4.989 -5.068 5.459) 8.965 21.426 ( 1.237 -8.593 3.682) 9.430 21.720 ( -6.258 -0.145 -1.537) 6.445 21.749 ( -5.104 -0.837 -1.101) 5.288 22.149 ( -3.279 4.664 0.092) 5.701 22.216 ( -5.332 5.495 -3.396) 8.376 22.370 ( -2.847 -1.464 1.553) 3.558 22.487 ( -6.102 -3.614 -4.404) 8.348 25.187 ( 1.148 0.541 4.900) 5.062 25.219 ( -0.274 -0.941 5.800) 5.882 25.338 ( -2.137 1.163 -2.217) 3.291 25.384 ( -3.234 -0.919 -2.288) 4.067 29.020 ( 0.968 0.435 1.475) 1.817 29.047 ( -0.172 -0.906 1.502) 1.763 29.085 ( -0.821 0.847 -0.963) 1.523 29.111 ( -1.849 -0.482 -1.144) 2.227 29.938 ( 8.132 0.880 4.177) 9.184 29.986 ( 9.031 -1.455 4.334) 10.122 30.108 ( 5.833 2.415 -3.563) 7.249 30.209 ( 5.281 -2.337 -6.510) 8.702 34.353 ( -1.439 0.932 0.879) 1.926 34.389 ( -2.000 -0.705 -0.307) 2.142 34.401 ( -2.351 0.160 -0.794) 2.486 34.409 ( -1.959 -0.186 -1.835) 2.691 97.734 ( 0.726 0.315 3.020) 3.122 97.751 ( 0.065 -0.450 2.962) 2.997 97.835 ( -1.506 0.159 -1.760) 2.322 97.839 ( -1.688 -0.053 -1.399) 2.193 99.973 ( 0.882 1.815 1.760) 2.678 100.062 ( -0.855 -2.316 -2.119) 3.254 100.183 ( -3.463 0.605 -1.598) 3.861 100.196 ( -3.922 0.458 -1.082) 4.094 ======================= Grid point 125 (47/72) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.684 ( 30.149 6.741 13.176) 33.586 3.910 ( 31.374 2.898 14.439) 34.658 4.156 ( 17.288 -7.976 -0.373) 19.043 4.286 ( 25.153 -6.817 1.914) 26.130 4.416 ( 14.544 -0.244 -1.687) 14.643 4.532 ( 13.880 -2.248 -0.703) 14.079 4.600 ( 8.884 1.053 -3.754) 9.702 4.795 ( 10.251 -1.442 -5.726) 11.830 4.881 ( 12.578 6.026 3.203) 14.311 4.978 ( -1.795 5.803 6.799) 9.117 5.011 ( -5.778 -0.585 4.549) 7.377 5.108 ( 3.783 -3.326 -0.980) 5.132 5.144 ( -5.862 0.378 5.845) 8.287 5.208 ( -9.292 -0.653 9.311) 13.170 5.303 ( -12.011 1.423 7.030) 13.989 5.367 ( 0.746 1.389 3.235) 3.599 5.372 ( -4.979 2.952 1.841) 6.074 5.500 ( -4.985 -2.750 1.331) 5.847 5.604 ( -6.197 1.176 4.657) 7.841 5.633 ( -0.659 6.823 -0.726) 6.893 5.710 ( -6.015 0.528 3.730) 7.097 5.804 ( -6.851 -0.098 0.852) 6.905 5.863 ( -7.540 2.058 1.882) 8.039 5.916 ( -10.289 -3.017 -1.056) 10.774 5.990 ( 0.248 -0.165 -0.290) 0.416 6.058 ( 4.948 3.374 8.688) 10.552 6.223 ( -0.902 -7.141 6.085) 9.425 6.269 ( -2.663 -4.274 3.678) 6.236 6.331 ( -3.600 -0.353 1.669) 3.984 6.388 ( -6.327 -5.370 3.185) 8.889 6.414 ( -2.761 -4.338 3.284) 6.101 6.441 ( -8.885 0.210 -0.357) 8.895 6.505 ( -7.037 3.219 1.599) 7.902 6.634 ( -2.278 5.107 0.816) 5.652 6.682 ( -0.784 -4.608 -1.336) 4.862 6.793 ( 4.621 -1.878 3.352) 6.010 6.813 ( 2.650 -5.959 -0.658) 6.555 6.959 ( 4.335 -1.038 6.549) 7.922 6.995 ( 7.318 1.778 0.679) 7.561 7.046 ( -3.527 5.835 -13.322) 14.966 7.187 ( 5.040 2.537 2.583) 6.205 7.257 ( -4.167 -2.249 5.543) 7.290 7.367 ( -5.507 0.519 -5.317) 7.673 7.414 ( -1.849 -5.759 -3.231) 6.857 7.428 ( -1.813 0.846 -3.837) 4.327 7.532 ( -6.693 -0.443 4.374) 8.008 7.603 ( 1.805 5.435 -1.823) 6.010 7.821 ( 2.320 10.269 -0.338) 10.533 7.905 ( 4.914 1.165 5.049) 7.141 8.015 ( -1.473 -2.803 -2.525) 4.050 8.029 ( -2.657 -4.277 -1.787) 5.343 8.219 ( 8.420 1.086 -15.650) 17.804 8.264 ( -2.958 1.590 -2.867) 4.416 8.353 ( 2.932 3.648 -1.264) 4.849 8.548 ( 2.431 -5.554 -6.181) 8.658 8.584 ( -0.994 4.201 -12.768) 13.478 8.743 ( -1.045 -10.924 -0.841) 11.006 8.773 ( -3.147 -4.094 -10.797) 11.968 8.895 ( -5.010 -2.430 -4.059) 6.890 8.936 ( -4.636 2.302 -8.757) 10.172 9.058 ( 5.038 3.891 -2.001) 6.673 9.153 ( 4.521 2.460 -8.775) 10.173 9.274 ( -0.309 9.238 -5.496) 10.754 9.302 ( 0.180 7.599 -3.093) 8.206 9.424 ( -0.059 -1.440 5.470) 5.656 9.489 ( 1.149 1.846 4.033) 4.582 9.640 ( 1.609 -0.373 5.438) 5.683 9.678 ( -0.435 -0.210 -3.677) 3.708 9.730 ( 0.324 2.223 -3.045) 3.784 9.793 ( 1.073 -1.545 -0.151) 1.887 9.814 ( -2.847 -2.560 -0.366) 3.846 9.864 ( -6.690 -0.432 -2.279) 7.081 9.891 ( 2.260 -3.996 -0.188) 4.595 9.932 ( -2.602 -2.969 -3.104) 5.022 10.015 ( -2.323 3.007 -0.846) 3.892 10.076 ( -0.615 1.404 0.589) 1.642 10.132 ( -0.727 0.084 -3.476) 3.553 10.165 ( -1.757 -0.450 0.072) 1.815 10.219 ( -0.336 -0.352 -1.190) 1.286 10.281 ( 0.769 -5.429 -0.852) 5.548 10.312 ( 1.766 -1.200 -2.198) 3.064 10.371 ( -1.140 -2.267 -0.378) 2.566 10.677 ( -11.274 -1.148 -5.713) 12.691 10.742 ( -9.620 -1.778 -6.451) 11.718 10.936 ( 1.053 2.018 3.841) 4.465 10.966 ( 2.427 -0.119 1.776) 3.009 11.067 ( -3.385 -1.525 -4.269) 5.658 11.159 ( -4.080 -1.841 2.255) 5.012 11.163 ( -1.705 -0.843 -1.839) 2.645 11.213 ( -3.183 2.070 1.333) 4.024 11.298 ( -1.218 -0.448 -0.308) 1.334 11.331 ( -4.342 1.357 4.422) 6.344 11.359 ( 1.598 1.248 -4.888) 5.292 11.519 ( -5.530 0.145 -0.266) 5.538 11.639 ( 2.126 -4.276 -2.051) 5.197 11.673 ( 5.246 -3.231 0.831) 6.217 11.793 ( -3.417 3.386 3.264) 5.813 11.808 ( -0.498 2.498 2.224) 3.382 11.845 ( 3.439 0.585 1.441) 3.775 11.872 ( -1.030 1.456 1.796) 2.531 11.909 ( -2.023 0.065 -1.397) 2.459 11.963 ( 0.022 1.437 1.919) 2.397 12.012 ( 2.803 3.734 -0.999) 4.775 12.059 ( -3.316 4.996 0.100) 5.997 12.066 ( 2.163 0.686 -0.226) 2.280 12.109 ( -3.551 3.302 -0.967) 4.944 12.164 ( -0.796 -1.219 4.096) 4.347 12.293 ( -2.085 -1.521 1.492) 2.981 12.383 ( 2.071 -4.904 -2.204) 5.761 12.423 ( -4.990 -3.241 0.489) 5.970 12.465 ( -2.114 -2.047 -0.581) 3.000 12.526 ( -4.149 -5.701 -0.543) 7.072 12.601 ( 2.196 1.618 -1.099) 2.941 12.705 ( 1.876 0.168 0.528) 1.956 12.768 ( -3.376 -0.773 -1.968) 3.983 12.814 ( 0.607 -1.794 -1.888) 2.674 12.819 ( -1.509 4.335 0.058) 4.590 12.920 ( -5.244 1.179 -1.322) 5.535 12.951 ( -4.992 1.260 0.438) 5.167 12.966 ( 1.854 -0.157 -1.050) 2.136 13.032 ( -3.793 1.838 -0.607) 4.259 13.139 ( -4.708 -0.208 -1.588) 4.973 13.253 ( 8.187 0.619 5.781) 10.041 13.289 ( 11.654 0.617 4.385) 12.467 13.416 ( 3.037 1.136 -0.642) 3.306 13.484 ( 1.848 1.114 2.773) 3.514 13.527 ( 5.832 0.867 2.819) 6.536 13.577 ( 5.570 0.020 1.764) 5.843 13.674 ( 3.781 4.027 1.680) 5.773 13.786 ( 0.577 3.885 -3.211) 5.073 13.951 ( -3.452 1.247 5.096) 6.280 13.963 ( 0.481 -6.218 4.026) 7.423 14.062 ( 5.398 -5.899 3.958) 8.922 14.156 ( 2.052 -2.438 4.246) 5.309 14.225 ( 1.967 -1.310 2.223) 3.244 14.231 ( -0.175 1.207 -1.397) 1.855 14.454 ( -0.483 -4.591 -0.678) 4.666 14.509 ( -5.691 0.555 0.077) 5.719 14.521 ( 4.408 1.192 1.622) 4.845 14.588 ( 7.152 4.153 1.673) 8.438 14.830 ( 5.471 0.750 2.550) 6.083 14.901 ( -1.470 0.658 3.290) 3.663 14.978 ( -4.844 1.996 3.773) 6.456 15.083 ( -2.779 -0.991 4.209) 5.141 15.107 ( -4.302 -2.875 1.870) 5.501 15.198 ( 0.684 -2.473 1.850) 3.164 15.287 ( -1.661 2.552 -0.892) 3.173 15.383 ( -5.765 -1.334 -5.796) 8.283 15.758 ( 2.407 1.383 1.295) 3.063 15.837 ( -4.299 2.250 -1.827) 5.185 15.898 ( -0.934 -3.276 5.772) 6.702 15.946 ( -5.132 -2.226 -0.353) 5.606 16.186 ( 2.727 3.918 -1.457) 4.991 16.260 ( -0.785 4.549 -3.407) 5.737 16.312 ( 6.845 -1.517 -0.043) 7.011 16.379 ( 3.340 -0.144 -1.818) 3.805 16.576 ( 2.300 -2.243 2.899) 4.327 16.612 ( 1.134 -3.660 1.553) 4.135 16.836 ( 0.897 3.016 11.959) 12.367 16.914 ( -1.979 -0.297 8.702) 8.929 17.139 ( 4.133 2.338 -1.948) 5.132 17.249 ( 0.753 -1.413 -5.910) 6.123 17.320 ( -0.553 -0.867 2.349) 2.564 17.386 ( -3.344 -3.893 0.883) 5.208 17.605 ( 0.396 3.166 1.344) 3.462 17.694 ( -4.721 0.417 0.293) 4.748 17.868 ( 5.663 1.644 -11.887) 13.269 17.953 ( 0.763 -1.321 -13.501) 13.587 18.523 ( 1.167 -0.192 -1.325) 1.776 18.532 ( 0.787 -0.252 -1.744) 1.930 19.717 ( 1.141 1.574 -0.261) 1.962 19.769 ( -1.544 -0.722 -2.993) 3.445 20.687 ( 2.025 -1.812 -1.556) 3.131 20.742 ( -1.150 -4.261 -0.687) 4.467 20.788 ( 6.485 1.649 -0.617) 6.720 20.858 ( 5.167 -1.794 1.661) 5.716 21.032 ( -5.725 6.648 -0.240) 8.776 21.095 ( -2.672 6.473 1.155) 7.097 21.281 ( -4.500 -4.215 3.891) 7.291 21.381 ( -5.854 -5.961 2.738) 8.792 21.671 ( 0.993 0.779 -1.680) 2.102 21.711 ( -0.333 -1.126 -1.451) 1.867 22.101 ( -1.515 3.456 -0.667) 3.832 22.133 ( -3.190 3.701 -2.432) 5.458 22.331 ( -1.042 -1.499 0.340) 1.857 22.388 ( -4.005 -2.838 -2.630) 5.569 25.216 ( 1.745 0.281 2.993) 3.476 25.231 ( 1.397 -0.429 3.413) 3.713 25.296 ( -2.217 0.689 -0.754) 2.441 25.323 ( -2.986 -0.549 -0.971) 3.188 29.040 ( 0.973 0.139 0.681) 1.196 29.047 ( 0.274 -0.226 0.762) 0.840 29.071 ( -0.677 0.215 -0.921) 1.163 29.080 ( -1.394 -0.165 -0.930) 1.684 30.075 ( 5.790 0.934 2.373) 6.327 30.127 ( 4.737 -1.719 1.049) 5.147 30.197 ( 3.811 2.214 -0.465) 4.432 30.274 ( 1.370 -1.570 -3.196) 3.816 34.332 ( -0.561 0.647 0.593) 1.042 34.357 ( -1.574 -0.111 -0.475) 1.648 34.363 ( -1.120 -0.137 -0.398) 1.197 34.375 ( -1.414 -0.338 -1.394) 2.014 97.752 ( 1.118 0.176 1.765) 2.097 97.761 ( 0.863 -0.208 1.626) 1.852 97.805 ( -1.516 0.103 -0.699) 1.673 97.809 ( -1.471 -0.056 -0.744) 1.649 99.999 ( 1.866 0.985 1.146) 2.401 100.054 ( -0.028 -1.635 -1.170) 2.011 100.120 ( -3.113 0.401 -1.192) 3.357 100.124 ( -3.065 0.400 -0.720) 3.174 ======================= Grid point 126 (48/72) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.152 ( -13.596 0.638 3.504) 14.055 4.152 ( 13.596 0.638 3.504) 14.055 4.485 ( -13.878 2.245 9.386) 16.903 4.485 ( 13.878 2.245 9.386) 16.903 4.622 ( -7.036 3.480 4.844) 9.224 4.622 ( 7.036 3.480 4.844) 9.224 4.767 ( -11.949 -5.049 7.465) 14.966 4.767 ( 11.949 -5.049 7.465) 14.966 4.919 ( -8.606 -0.719 4.989) 9.973 4.919 ( 8.606 -0.719 4.989) 9.973 4.994 ( -5.890 -2.082 2.081) 6.584 4.994 ( 5.890 -2.082 2.081) 6.584 5.136 ( -2.064 -1.562 5.413) 6.000 5.136 ( 2.064 -1.562 5.413) 6.000 5.272 ( -7.091 0.918 -5.281) 8.889 5.272 ( 7.091 0.918 -5.281) 8.889 5.424 ( -5.510 -4.792 0.029) 7.303 5.424 ( 5.510 -4.792 0.029) 7.303 5.548 ( -6.134 5.680 1.400) 8.476 5.548 ( 6.134 5.680 1.400) 8.476 5.704 ( -5.706 0.715 -1.969) 6.078 5.704 ( 5.706 0.715 -1.969) 6.078 5.755 ( -2.076 6.750 0.944) 7.125 5.755 ( 2.076 6.750 0.944) 7.125 6.103 ( -10.903 0.185 -4.987) 11.991 6.103 ( 10.903 0.185 -4.987) 11.991 6.194 ( -4.250 -3.399 8.776) 10.326 6.194 ( 4.250 -3.399 8.776) 10.326 6.305 ( -5.404 -1.987 -1.383) 5.921 6.305 ( 5.404 -1.987 -1.383) 5.921 6.350 ( -1.797 -2.906 6.742) 7.559 6.350 ( 1.797 -2.906 6.742) 7.559 6.500 ( -5.309 -0.411 0.282) 5.332 6.500 ( 5.309 -0.411 0.282) 5.332 6.789 ( -5.046 -0.930 -2.059) 5.528 6.789 ( 5.046 -0.930 -2.059) 5.528 6.927 ( -6.167 -2.258 0.169) 6.569 6.927 ( 6.167 -2.258 0.169) 6.569 7.088 ( -5.724 -1.077 2.809) 6.467 7.088 ( 5.724 -1.077 2.809) 6.467 7.163 ( -5.328 2.839 -1.668) 6.263 7.163 ( 5.328 2.839 -1.668) 6.263 7.347 ( -6.065 1.658 1.018) 6.369 7.347 ( 6.065 1.658 1.018) 6.369 7.446 ( -1.884 -1.954 1.140) 2.944 7.446 ( 1.884 -1.954 1.140) 2.944 7.752 ( -7.418 12.344 1.392) 14.469 7.752 ( 7.418 12.344 1.392) 14.469 7.994 ( -3.732 -4.119 -3.750) 6.705 7.994 ( 3.732 -4.119 -3.750) 6.705 8.163 ( -8.301 -5.183 2.123) 10.014 8.163 ( 8.301 -5.183 2.123) 10.014 8.377 ( -3.786 2.515 -7.557) 8.819 8.377 ( 3.786 2.515 -7.557) 8.819 8.545 ( -3.140 2.515 -4.158) 5.786 8.545 ( 3.140 2.515 -4.158) 5.786 8.725 ( -10.075 -2.539 -9.367) 13.989 8.725 ( 10.075 -2.539 -9.367) 13.989 8.805 ( -3.298 -9.411 -2.675) 10.324 8.805 ( 3.298 -9.411 -2.675) 10.324 9.173 ( -3.616 4.058 -5.695) 7.872 9.173 ( 3.616 4.058 -5.695) 7.872 9.288 ( -0.731 5.352 -4.990) 7.354 9.288 ( 0.731 5.352 -4.990) 7.354 9.486 ( -3.627 3.546 1.987) 5.448 9.486 ( 3.627 3.546 1.987) 5.448 9.652 ( -3.838 2.315 1.298) 4.667 9.652 ( 3.838 2.315 1.298) 4.667 9.760 ( -4.116 0.920 0.037) 4.217 9.760 ( 4.116 0.920 0.037) 4.217 9.830 ( -3.147 -3.209 -2.640) 5.213 9.830 ( 3.147 -3.209 -2.640) 5.213 9.865 ( -2.216 1.312 0.283) 2.591 9.865 ( 2.216 1.312 0.283) 2.591 10.050 ( -4.247 0.594 5.533) 7.001 10.050 ( 4.247 0.594 5.533) 7.001 10.147 ( -1.797 -2.897 -8.827) 9.462 10.147 ( 1.797 -2.897 -8.827) 9.462 10.236 ( -3.226 -1.441 2.127) 4.124 10.236 ( 3.226 -1.441 2.127) 4.124 10.359 ( -1.452 -2.942 -3.838) 5.049 10.359 ( 1.452 -2.942 -3.838) 5.049 10.587 ( -3.577 -2.504 -8.110) 9.211 10.587 ( 3.577 -2.504 -8.110) 9.211 10.981 ( -2.912 0.895 -0.279) 3.059 10.981 ( 2.912 0.895 -0.279) 3.059 11.049 ( -4.573 -3.585 -5.841) 8.239 11.049 ( 4.573 -3.585 -5.841) 8.239 11.183 ( -3.499 1.380 6.701) 7.685 11.183 ( 3.499 1.380 6.701) 7.685 11.270 ( -0.812 0.712 0.358) 1.138 11.270 ( 0.812 0.712 0.358) 1.138 11.425 ( -4.320 0.937 -0.769) 4.487 11.425 ( 4.320 0.937 -0.769) 4.487 11.699 ( -4.019 -0.509 -0.369) 4.068 11.699 ( 4.019 -0.509 -0.369) 4.068 11.776 ( -4.523 -3.226 -1.955) 5.890 11.776 ( 4.523 -3.226 -1.955) 5.890 11.835 ( -1.549 2.865 3.227) 4.585 11.835 ( 1.549 2.865 3.227) 4.585 11.958 ( -2.910 5.182 1.257) 6.074 11.958 ( 2.910 5.182 1.257) 6.074 12.023 ( -2.370 2.654 0.279) 3.569 12.023 ( 2.370 2.654 0.279) 3.569 12.072 ( -0.853 3.486 -0.657) 3.648 12.072 ( 0.853 3.486 -0.657) 3.648 12.242 ( -5.673 -0.627 2.088) 6.077 12.242 ( 5.673 -0.627 2.088) 6.077 12.375 ( -2.898 -5.804 -1.663) 6.697 12.375 ( 2.898 -5.804 -1.663) 6.697 12.478 ( -1.645 -6.994 -3.102) 7.825 12.478 ( 1.645 -6.994 -3.102) 7.825 12.674 ( -4.935 2.580 -0.639) 5.605 12.674 ( 4.935 2.580 -0.639) 5.605 12.753 ( -3.636 -1.482 2.762) 4.801 12.753 ( 3.636 -1.482 2.762) 4.801 12.847 ( -2.347 1.791 -1.828) 3.473 12.847 ( 2.347 1.791 -1.828) 3.473 12.942 ( -3.130 3.805 -0.659) 4.971 12.942 ( 3.130 3.805 -0.659) 4.971 13.046 ( -4.242 -0.826 -1.963) 4.747 13.046 ( 4.242 -0.826 -1.963) 4.747 13.379 ( -4.499 -1.397 4.659) 6.625 13.379 ( 4.499 -1.397 4.659) 6.625 13.451 ( -4.533 -1.514 3.000) 5.643 13.451 ( 4.533 -1.514 3.000) 5.643 13.643 ( -2.785 3.307 4.457) 6.210 13.643 ( 2.785 3.307 4.457) 6.210 13.752 ( -4.333 8.764 -2.321) 10.049 13.752 ( 4.333 8.764 -2.321) 10.049 13.925 ( -1.870 -2.278 4.848) 5.673 13.925 ( 1.870 -2.278 4.848) 5.673 14.171 ( -2.743 -3.702 3.344) 5.693 14.171 ( 2.743 -3.702 3.344) 5.693 14.251 ( -2.705 -3.911 -1.817) 5.091 14.251 ( 2.705 -3.911 -1.817) 5.091 14.380 ( -1.997 -3.882 0.427) 4.386 14.380 ( 1.997 -3.882 0.427) 4.386 14.690 ( -5.542 2.857 1.765) 6.480 14.690 ( 5.542 2.857 1.765) 6.480 14.869 ( -4.943 5.052 5.201) 8.775 14.869 ( 4.943 5.052 5.201) 8.775 14.948 ( -3.145 -2.147 5.882) 7.007 14.948 ( 3.145 -2.147 5.882) 7.007 15.149 ( -4.458 -2.480 1.997) 5.478 15.149 ( 4.458 -2.480 1.997) 5.478 15.303 ( -2.783 1.230 -4.079) 5.089 15.303 ( 2.783 1.230 -4.079) 5.089 15.786 ( -1.212 -0.083 -1.860) 2.222 15.786 ( 1.212 -0.083 -1.860) 2.222 15.893 ( -0.634 -2.257 3.515) 4.225 15.893 ( 0.634 -2.257 3.515) 4.225 16.233 ( -1.990 4.859 -2.643) 5.879 16.233 ( 1.990 4.859 -2.643) 5.879 16.397 ( -1.683 -2.180 -0.052) 2.755 16.397 ( 1.683 -2.180 -0.052) 2.755 16.612 ( -1.110 -1.552 1.800) 2.624 16.612 ( 1.110 -1.552 1.800) 2.624 16.869 ( -2.328 1.091 9.767) 10.099 16.869 ( 2.328 1.091 9.767) 10.099 17.217 ( -3.393 1.735 -3.537) 5.199 17.217 ( 3.393 1.735 -3.537) 5.199 17.336 ( -1.780 -3.045 1.275) 3.751 17.336 ( 1.780 -3.045 1.275) 3.751 17.625 ( -2.170 1.389 0.737) 2.680 17.625 ( 2.170 1.389 0.737) 2.680 17.945 ( -2.040 0.030 -13.291) 13.447 17.945 ( 2.040 0.030 -13.291) 13.447 18.537 ( -0.280 -0.252 -1.706) 1.748 18.537 ( 0.280 -0.252 -1.706) 1.748 19.741 ( -1.347 0.368 -1.585) 2.112 19.741 ( 1.347 0.368 -1.585) 2.112 20.717 ( -1.301 -3.400 -1.183) 3.828 20.717 ( 1.301 -3.400 -1.183) 3.828 20.916 ( -6.323 3.369 0.073) 7.165 20.916 ( 6.323 3.369 0.073) 7.165 20.984 ( -7.158 1.862 2.675) 7.865 20.984 ( 7.158 1.862 2.675) 7.865 21.278 ( -3.527 -2.743 1.226) 4.634 21.278 ( 3.527 -2.743 1.226) 4.634 21.700 ( -1.177 -0.490 -0.859) 1.538 21.700 ( 1.177 -0.490 -0.859) 1.538 22.094 ( -0.799 3.142 -1.482) 3.565 22.094 ( 0.799 3.142 -1.482) 3.565 22.335 ( -1.485 -2.067 -1.066) 2.760 22.335 ( 1.485 -2.067 -1.066) 2.760 25.252 ( -1.738 0.193 0.956) 1.992 25.252 ( 1.738 0.193 0.956) 1.992 25.271 ( -2.095 -0.186 1.130) 2.388 25.271 ( 2.095 -0.186 1.130) 2.388 29.057 ( -0.843 0.001 -0.219) 0.871 29.057 ( 0.843 0.001 -0.219) 0.871 29.058 ( -0.820 -0.012 -0.212) 0.847 29.058 ( 0.820 -0.012 -0.212) 0.847 30.151 ( -1.761 0.344 0.299) 1.819 30.151 ( 1.761 0.344 0.299) 1.819 30.263 ( -2.393 -0.371 -0.173) 2.428 30.263 ( 2.393 -0.371 -0.173) 2.428 34.333 ( -0.677 0.429 0.086) 0.806 34.333 ( 0.677 0.429 0.086) 0.806 34.357 ( -0.373 -0.415 -0.862) 1.026 34.357 ( 0.373 -0.415 -0.862) 1.026 97.776 ( -1.143 0.055 0.461) 1.234 97.776 ( 1.143 0.055 0.461) 1.234 97.783 ( -1.023 -0.046 0.375) 1.091 97.783 ( 1.023 -0.046 0.375) 1.091 100.041 ( -2.092 0.132 0.176) 2.103 100.041 ( 2.092 0.132 0.176) 2.103 100.086 ( -0.686 -0.100 -0.987) 1.206 100.086 ( 0.686 -0.100 -0.987) 1.206 ======================= Grid point 132 (49/72) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 0.000 -13.510 30.092) 32.986 2.288 ( 0.000 13.510 30.092) 32.986 2.487 ( 0.000 -17.250 29.594) 34.255 2.487 ( 0.000 17.250 29.594) 34.255 3.588 ( 0.000 -6.494 -28.467) 29.199 3.588 ( 0.000 6.494 -28.467) 29.199 3.800 ( 0.000 -32.017 26.263) 41.410 3.800 ( 0.000 32.017 26.263) 41.410 3.977 ( 0.000 -19.347 -16.392) 25.358 3.977 ( 0.000 19.347 -16.392) 25.358 4.527 ( 0.000 -21.909 13.234) 25.595 4.527 ( 0.000 21.909 13.234) 25.595 4.860 ( 0.000 -22.371 20.986) 30.674 4.860 ( 0.000 22.371 20.986) 30.674 5.278 ( 0.000 -3.543 0.156) 3.547 5.278 ( 0.000 3.543 0.156) 3.547 5.314 ( 0.000 -16.535 -21.006) 26.733 5.314 ( 0.000 16.535 -21.006) 26.733 5.594 ( 0.000 -10.002 -19.339) 21.772 5.594 ( 0.000 10.002 -19.339) 21.772 5.775 ( 0.000 -4.290 -5.793) 7.209 5.775 ( 0.000 4.290 -5.793) 7.209 5.985 ( 0.000 -2.225 2.953) 3.697 5.985 ( 0.000 2.225 2.953) 3.697 6.159 ( 0.000 -3.833 2.298) 4.469 6.159 ( 0.000 3.833 2.298) 4.469 6.385 ( 0.000 -2.936 6.844) 7.447 6.385 ( 0.000 2.936 6.844) 7.447 6.508 ( 0.000 -6.238 -4.370) 7.617 6.508 ( 0.000 6.238 -4.370) 7.617 6.810 ( 0.000 -3.798 0.270) 3.808 6.810 ( 0.000 3.798 0.270) 3.808 6.912 ( 0.000 -0.507 -2.415) 2.468 6.912 ( 0.000 0.507 -2.415) 2.468 7.065 ( 0.000 -2.530 -2.754) 3.740 7.065 ( 0.000 2.530 -2.754) 3.740 7.135 ( 0.000 -2.687 9.776) 10.138 7.135 ( 0.000 2.687 9.776) 10.138 7.439 ( 0.000 -2.969 5.126) 5.924 7.439 ( 0.000 2.969 5.126) 5.924 7.622 ( 0.000 -1.453 13.036) 13.117 7.622 ( 0.000 1.453 13.036) 13.117 7.728 ( 0.000 -8.471 5.758) 10.242 7.728 ( 0.000 8.471 5.758) 10.242 7.872 ( 0.000 -8.314 7.934) 11.493 7.872 ( 0.000 8.314 7.934) 11.493 7.970 ( 0.000 -0.035 -3.554) 3.554 7.970 ( 0.000 0.035 -3.554) 3.554 8.179 ( 0.000 -12.215 -5.227) 13.286 8.179 ( 0.000 12.215 -5.227) 13.286 8.268 ( 0.000 -2.766 -6.582) 7.139 8.268 ( 0.000 2.766 -6.582) 7.139 8.371 ( 0.000 -5.884 4.722) 7.545 8.371 ( 0.000 5.884 4.722) 7.545 8.427 ( 0.000 -3.666 -3.646) 5.170 8.427 ( 0.000 3.666 -3.646) 5.170 8.723 ( 0.000 -8.610 -10.752) 13.774 8.723 ( 0.000 8.610 -10.752) 13.774 8.882 ( 0.000 -2.594 -13.627) 13.872 8.882 ( 0.000 2.594 -13.627) 13.872 9.082 ( 0.000 -4.121 -21.747) 22.134 9.082 ( 0.000 4.121 -21.747) 22.134 9.298 ( 0.000 -5.396 -4.779) 7.208 9.298 ( 0.000 5.396 -4.779) 7.208 9.500 ( 0.000 -5.807 -4.166) 7.147 9.500 ( 0.000 5.807 -4.166) 7.147 9.583 ( 0.000 -0.860 -0.059) 0.862 9.583 ( 0.000 0.860 -0.059) 0.862 9.751 ( 0.000 -0.750 3.059) 3.149 9.751 ( 0.000 0.750 3.059) 3.149 9.834 ( 0.000 -2.150 -7.211) 7.525 9.834 ( 0.000 2.150 -7.211) 7.525 9.993 ( 0.000 -4.147 -2.345) 4.764 9.993 ( 0.000 4.147 -2.345) 4.764 10.222 ( 0.000 -0.955 6.034) 6.109 10.222 ( 0.000 0.955 6.034) 6.109 10.377 ( 0.000 -0.277 4.700) 4.708 10.377 ( 0.000 0.277 4.700) 4.708 10.472 ( 0.000 -0.359 2.238) 2.267 10.472 ( 0.000 0.359 2.238) 2.267 10.607 ( 0.000 -0.022 1.876) 1.876 10.607 ( 0.000 0.022 1.876) 1.876 10.661 ( 0.000 -1.353 -4.936) 5.118 10.661 ( 0.000 1.353 -4.936) 5.118 10.901 ( 0.000 -2.138 -0.929) 2.331 10.901 ( 0.000 2.138 -0.929) 2.331 10.993 ( 0.000 -6.687 5.543) 8.686 10.993 ( 0.000 6.687 5.543) 8.686 11.163 ( 0.000 -0.879 8.588) 8.633 11.163 ( 0.000 0.879 8.588) 8.633 11.304 ( 0.000 -0.827 1.533) 1.742 11.304 ( 0.000 0.827 1.533) 1.742 11.405 ( 0.000 -8.257 0.953) 8.312 11.405 ( 0.000 8.257 0.953) 8.312 11.466 ( 0.000 -6.178 5.872) 8.523 11.466 ( 0.000 6.178 5.872) 8.523 11.635 ( 0.000 -6.949 0.885) 7.005 11.635 ( 0.000 6.949 0.885) 7.005 11.786 ( 0.000 -2.187 -0.841) 2.343 11.786 ( 0.000 2.187 -0.841) 2.343 11.865 ( 0.000 -3.001 -4.298) 5.242 11.865 ( 0.000 3.001 -4.298) 5.242 12.078 ( 0.000 -2.629 0.207) 2.637 12.078 ( 0.000 2.629 0.207) 2.637 12.162 ( 0.000 -2.969 -8.194) 8.715 12.162 ( 0.000 2.969 -8.194) 8.715 12.418 ( 0.000 -0.571 6.289) 6.315 12.418 ( 0.000 0.571 6.289) 6.315 12.556 ( 0.000 -1.890 0.429) 1.938 12.556 ( 0.000 1.890 0.429) 1.938 12.771 ( 0.000 -1.778 0.644) 1.891 12.771 ( 0.000 1.778 0.644) 1.891 12.865 ( 0.000 -2.175 2.789) 3.537 12.865 ( 0.000 2.175 2.789) 3.537 12.954 ( 0.000 -0.416 -2.686) 2.718 12.954 ( 0.000 0.416 -2.686) 2.718 13.011 ( 0.000 -1.619 -1.941) 2.527 13.011 ( 0.000 1.619 -1.941) 2.527 13.092 ( 0.000 -3.993 -2.619) 4.776 13.092 ( 0.000 3.993 -2.619) 4.776 13.159 ( 0.000 -5.629 0.019) 5.629 13.159 ( 0.000 5.629 0.019) 5.629 13.209 ( 0.000 -5.040 1.379) 5.226 13.209 ( 0.000 5.040 1.379) 5.226 13.262 ( 0.000 -4.724 7.111) 8.537 13.262 ( 0.000 4.724 7.111) 8.537 13.570 ( 0.000 -0.870 0.232) 0.901 13.570 ( 0.000 0.870 0.232) 0.901 13.650 ( 0.000 -1.077 1.589) 1.919 13.650 ( 0.000 1.077 1.589) 1.919 13.697 ( 0.000 -1.901 -3.027) 3.575 13.697 ( 0.000 1.901 -3.027) 3.575 14.018 ( 0.000 -2.843 2.232) 3.614 14.018 ( 0.000 2.843 2.232) 3.614 14.080 ( 0.000 -8.035 -0.862) 8.081 14.080 ( 0.000 8.035 -0.862) 8.081 14.370 ( 0.000 -3.448 1.171) 3.641 14.370 ( 0.000 3.448 1.171) 3.641 14.675 ( 0.000 -3.156 8.102) 8.695 14.675 ( 0.000 3.156 8.102) 8.695 14.698 ( 0.000 -3.751 1.373) 3.995 14.698 ( 0.000 3.751 1.373) 3.995 14.869 ( 0.000 -1.033 -0.011) 1.033 14.869 ( 0.000 1.033 -0.011) 1.033 15.374 ( 0.000 -1.861 -2.224) 2.900 15.374 ( 0.000 1.861 -2.224) 2.900 15.484 ( 0.000 -11.558 -6.312) 13.169 15.484 ( 0.000 11.558 -6.312) 13.169 15.650 ( 0.000 -2.234 -1.769) 2.849 15.650 ( 0.000 2.234 -1.769) 2.849 15.879 ( 0.000 -1.870 -0.645) 1.978 15.879 ( 0.000 1.870 -0.645) 1.978 16.204 ( 0.000 -5.760 -2.433) 6.253 16.204 ( 0.000 5.760 -2.433) 6.253 16.310 ( 0.000 -3.474 1.121) 3.650 16.310 ( 0.000 3.474 1.121) 3.650 16.484 ( 0.000 -1.691 0.349) 1.727 16.484 ( 0.000 1.691 0.349) 1.727 16.722 ( 0.000 -7.587 12.506) 14.628 16.722 ( 0.000 7.587 12.506) 14.628 17.143 ( 0.000 -1.914 4.207) 4.622 17.143 ( 0.000 1.914 4.207) 4.622 17.242 ( 0.000 -13.127 -6.253) 14.541 17.242 ( 0.000 13.127 -6.253) 14.541 17.540 ( 0.000 -2.808 -1.756) 3.312 17.540 ( 0.000 2.808 -1.756) 3.312 18.442 ( 0.000 -1.341 1.283) 1.856 18.442 ( 0.000 1.341 1.283) 1.856 18.656 ( 0.000 -13.065 1.699) 13.174 18.656 ( 0.000 13.065 1.699) 13.174 19.617 ( 0.000 -2.008 -3.462) 4.002 19.617 ( 0.000 2.008 -3.462) 4.002 20.354 ( 0.000 -0.225 -0.122) 0.256 20.354 ( 0.000 0.225 -0.122) 0.256 20.577 ( 0.000 -2.375 -0.358) 2.402 20.577 ( 0.000 2.375 -0.358) 2.402 21.009 ( 0.000 -6.451 -4.734) 8.001 21.009 ( 0.000 6.451 -4.734) 8.001 21.543 ( 0.000 -0.505 1.397) 1.486 21.543 ( 0.000 0.505 1.397) 1.486 22.032 ( 0.000 -0.415 0.675) 0.793 22.032 ( 0.000 0.415 0.675) 0.793 22.442 ( 0.000 -6.029 4.549) 7.553 22.442 ( 0.000 6.029 4.549) 7.553 22.698 ( 0.000 -7.799 -8.730) 11.707 22.698 ( 0.000 7.799 -8.730) 11.707 25.242 ( 0.000 -5.497 6.679) 8.651 25.242 ( 0.000 5.497 6.679) 8.651 25.476 ( 0.000 -2.324 -2.006) 3.070 25.476 ( 0.000 2.324 -2.006) 3.070 29.020 ( 0.000 -2.135 1.315) 2.507 29.020 ( 0.000 2.135 1.315) 2.507 29.178 ( 0.000 -0.372 0.224) 0.434 29.178 ( 0.000 0.372 0.224) 0.434 29.589 ( 0.000 -0.478 5.320) 5.342 29.589 ( 0.000 0.478 5.320) 5.342 29.763 ( 0.000 -0.730 -3.259) 3.340 29.763 ( 0.000 0.730 -3.259) 3.340 34.469 ( 0.000 -1.889 -1.088) 2.180 34.469 ( 0.000 1.889 -1.088) 2.180 34.488 ( 0.000 -0.722 -1.330) 1.514 34.488 ( 0.000 0.722 -1.330) 1.514 97.757 ( 0.000 -2.702 4.687) 5.410 97.757 ( 0.000 2.702 4.687) 5.410 97.907 ( 0.000 -0.404 -1.730) 1.777 97.907 ( 0.000 0.404 -1.730) 1.777 100.093 ( 0.000 -1.917 -4.265) 4.676 100.093 ( 0.000 1.917 -4.265) 4.676 100.314 ( 0.000 -2.724 -2.260) 3.539 100.314 ( 0.000 2.724 -2.260) 3.539 ======================= Grid point 134 (50/72) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 17.445 -24.000 28.236) 40.959 2.469 ( 17.445 24.000 28.236) 40.959 2.601 ( 12.189 -27.705 24.782) 39.119 2.601 ( 12.189 27.705 24.782) 39.119 3.662 ( 7.589 -0.866 -28.851) 29.845 3.662 ( 7.589 0.866 -28.851) 29.845 3.868 ( 5.776 -7.011 -13.833) 16.550 3.868 ( 5.776 7.011 -13.833) 16.550 4.164 ( 19.989 -31.081 24.554) 44.367 4.164 ( 19.989 31.081 24.554) 44.367 4.582 ( 5.231 -21.208 9.758) 23.924 4.582 ( 5.231 21.208 9.758) 23.924 4.949 ( 8.408 -19.724 20.207) 29.463 4.949 ( 8.408 19.724 20.207) 29.463 5.266 ( 0.825 -6.745 -3.296) 7.553 5.266 ( 0.825 6.745 -3.296) 7.553 5.390 ( 5.167 -13.035 -12.272) 18.633 5.390 ( 5.167 13.035 -12.272) 18.633 5.624 ( 2.995 -12.886 -15.167) 20.126 5.624 ( 2.995 12.886 -15.167) 20.126 5.815 ( 2.953 -1.078 -1.682) 3.565 5.815 ( 2.953 1.078 -1.682) 3.565 5.980 ( 0.033 -0.668 2.645) 2.728 5.980 ( 0.033 0.668 2.645) 2.728 6.149 ( -1.667 -5.318 1.296) 5.722 6.149 ( -1.667 5.318 1.296) 5.722 6.403 ( 1.855 -7.784 5.972) 9.985 6.403 ( 1.855 7.784 5.972) 9.985 6.504 ( -1.853 -7.583 0.332) 7.813 6.504 ( -1.853 7.583 0.332) 7.813 6.750 ( -3.550 -2.719 0.899) 4.561 6.750 ( -3.550 2.719 0.899) 4.561 6.892 ( -3.422 -1.590 -1.246) 3.974 6.892 ( -3.422 1.590 -1.246) 3.974 6.999 ( -8.577 -3.451 7.775) 12.080 6.999 ( -8.577 3.451 7.775) 12.080 7.108 ( -0.267 -3.404 -3.181) 4.666 7.108 ( -0.267 3.404 -3.181) 4.666 7.372 ( -8.602 -5.330 6.341) 11.942 7.372 ( -8.602 5.330 6.341) 11.942 7.503 ( -11.782 -2.074 9.540) 15.301 7.503 ( -11.782 2.074 9.540) 15.301 7.645 ( -3.025 -3.125 0.673) 4.401 7.645 ( -3.025 3.125 0.673) 4.401 7.861 ( -8.019 -2.467 -5.551) 10.060 7.861 ( -8.019 2.467 -5.551) 10.060 7.918 ( -2.962 -4.025 -6.101) 7.886 7.918 ( -2.962 4.025 -6.101) 7.886 8.076 ( 0.057 -5.827 0.208) 5.831 8.076 ( 0.057 5.827 0.208) 5.831 8.274 ( -2.996 -1.321 -5.720) 6.590 8.274 ( -2.996 1.321 -5.720) 6.590 8.399 ( 2.981 -11.093 0.905) 11.522 8.399 ( 2.981 11.093 0.905) 11.522 8.582 ( 6.391 -6.071 -6.136) 10.740 8.582 ( 6.391 6.071 -6.136) 10.740 8.710 ( 0.682 -5.095 -5.885) 7.814 8.710 ( 0.682 5.095 -5.885) 7.814 8.846 ( -1.688 -6.772 -10.832) 12.886 8.846 ( -1.688 6.772 -10.832) 12.886 9.055 ( -1.693 -2.562 -13.327) 13.676 9.055 ( -1.693 2.562 -13.327) 13.676 9.217 ( -7.346 -2.004 -4.559) 8.875 9.217 ( -7.346 2.004 -4.559) 8.875 9.465 ( -2.871 -6.715 -2.974) 7.886 9.465 ( -2.871 6.715 -2.974) 7.886 9.690 ( 6.063 -3.122 1.655) 7.018 9.690 ( 6.063 3.122 1.655) 7.018 9.774 ( 2.132 -0.857 -1.423) 2.703 9.774 ( 2.132 0.857 -1.423) 2.703 9.822 ( -0.599 -3.041 -2.652) 4.079 9.822 ( -0.599 3.041 -2.652) 4.079 9.951 ( -0.443 -1.457 -2.901) 3.277 9.951 ( -0.443 1.457 -2.901) 3.277 10.197 ( -1.878 -2.008 1.578) 3.170 10.197 ( -1.878 2.008 1.578) 3.170 10.324 ( -4.284 -1.919 -0.938) 4.787 10.324 ( -4.284 1.919 -0.938) 4.787 10.430 ( -5.526 -1.268 0.309) 5.678 10.430 ( -5.526 1.268 0.309) 5.678 10.525 ( -4.168 -0.913 -1.315) 4.465 10.525 ( -4.168 0.913 -1.315) 4.465 10.798 ( 8.403 -0.684 5.496) 10.064 10.798 ( 8.403 0.684 5.496) 10.064 10.958 ( 3.797 -4.364 2.622) 6.351 10.958 ( 3.797 4.364 2.622) 6.351 11.035 ( 3.049 -5.449 1.405) 6.400 11.035 ( 3.049 5.449 1.405) 6.400 11.213 ( 4.077 -0.506 5.700) 7.027 11.213 ( 4.077 0.506 5.700) 7.027 11.290 ( -0.416 -3.661 4.578) 5.877 11.290 ( -0.416 3.661 4.578) 5.877 11.379 ( -0.737 -7.496 2.255) 7.862 11.379 ( -0.737 7.496 2.255) 7.862 11.576 ( 9.622 -5.984 5.133) 12.439 11.576 ( 9.622 5.984 5.133) 12.439 11.676 ( 1.035 -0.276 -5.117) 5.228 11.676 ( 1.035 0.276 -5.117) 5.228 11.778 ( 2.411 -2.541 -2.169) 4.120 11.778 ( 2.411 2.541 -2.169) 4.120 11.936 ( 6.633 -1.318 -0.986) 6.835 11.936 ( 6.633 1.318 -0.986) 6.835 12.035 ( -3.450 -2.849 0.210) 4.480 12.035 ( -3.450 2.849 0.210) 4.480 12.182 ( 1.227 -2.550 -3.015) 4.135 12.182 ( 1.227 2.550 -3.015) 4.135 12.353 ( -7.297 -2.114 2.488) 7.994 12.353 ( -7.297 2.114 2.488) 7.994 12.463 ( -5.264 -3.801 2.632) 7.006 12.463 ( -5.264 3.801 2.632) 7.006 12.718 ( -5.635 -3.775 2.231) 7.140 12.718 ( -5.635 3.775 2.231) 7.140 12.806 ( -4.325 -2.851 0.038) 5.180 12.806 ( -4.325 2.851 0.038) 5.180 12.946 ( -4.048 -6.307 2.359) 7.857 12.946 ( -4.048 6.307 2.359) 7.857 13.017 ( -1.770 -1.392 -1.247) 2.574 13.017 ( -1.770 1.392 -1.247) 2.574 13.067 ( -0.015 -1.707 -1.696) 2.406 13.067 ( -0.015 1.707 -1.696) 2.406 13.098 ( -1.668 -3.618 -2.832) 4.888 13.098 ( -1.668 3.618 -2.832) 4.888 13.215 ( 0.299 -2.601 -0.173) 2.624 13.215 ( 0.299 2.601 -0.173) 2.624 13.379 ( 8.615 -4.298 5.791) 11.235 13.379 ( 8.615 4.298 5.791) 11.235 13.572 ( -1.128 -3.230 0.162) 3.425 13.572 ( -1.128 3.230 0.162) 3.425 13.648 ( -2.306 -4.496 1.836) 5.376 13.648 ( -2.306 4.496 1.836) 5.376 13.779 ( 5.717 -5.430 -0.557) 7.904 13.779 ( 5.717 5.430 -0.557) 7.904 13.906 ( -5.815 -3.517 -2.804) 7.352 13.906 ( -5.815 3.517 -2.804) 7.352 14.145 ( 7.128 -5.761 -1.005) 9.220 14.145 ( 7.128 5.761 -1.005) 9.220 14.353 ( -5.811 -5.126 4.533) 8.977 14.353 ( -5.811 5.126 4.533) 8.977 14.581 ( -2.886 -6.605 5.318) 8.958 14.581 ( -2.886 6.605 5.318) 8.958 14.740 ( 3.883 -1.255 -2.234) 4.652 14.740 ( 3.883 1.255 -2.234) 4.652 14.959 ( 5.625 -1.684 1.924) 6.179 14.959 ( 5.625 1.684 1.924) 6.179 15.333 ( -3.351 -1.768 0.038) 3.788 15.333 ( -3.351 1.768 0.038) 3.788 15.432 ( -3.524 -7.099 -4.237) 8.987 15.432 ( -3.524 7.099 -4.237) 8.987 15.703 ( 4.171 -2.414 -1.344) 5.003 15.703 ( 4.171 2.414 -1.344) 5.003 15.986 ( 7.655 -1.217 -0.741) 7.787 15.986 ( 7.655 1.217 -0.741) 7.787 16.185 ( -1.117 -5.031 -3.921) 6.475 16.185 ( -1.117 5.031 -3.921) 6.475 16.294 ( -1.757 -3.383 2.342) 4.474 16.294 ( -1.757 3.383 2.342) 4.474 16.462 ( -1.562 -2.369 1.069) 3.033 16.462 ( -1.562 2.369 1.069) 3.033 16.764 ( 3.777 -5.299 9.724) 11.700 16.764 ( 3.777 5.299 9.724) 11.700 17.129 ( -1.303 -1.641 3.303) 3.912 17.129 ( -1.303 1.641 3.303) 3.912 17.297 ( 5.503 -11.172 -4.527) 13.251 17.297 ( 5.503 11.172 -4.527) 13.251 17.524 ( -1.449 -2.936 -2.138) 3.910 17.524 ( -1.449 2.936 -2.138) 3.910 18.400 ( -13.686 -7.457 3.298) 15.930 18.400 ( -13.686 7.457 3.298) 15.930 18.469 ( -3.927 -1.022 -1.048) 4.191 18.469 ( -3.927 1.022 -1.048) 4.191 19.718 ( 5.537 -5.702 -2.903) 8.462 19.718 ( 5.537 5.702 -2.903) 8.462 20.452 ( 8.803 -1.215 -1.256) 8.975 20.452 ( 8.803 1.215 -1.256) 8.975 20.592 ( 1.654 -3.214 -0.473) 3.646 20.592 ( 1.654 3.214 -0.473) 3.646 21.036 ( 3.035 -8.550 -3.707) 9.801 21.036 ( 3.035 8.550 -3.707) 9.801 21.508 ( -3.562 -3.449 1.434) 5.161 21.508 ( -3.562 3.449 1.434) 5.161 21.982 ( -4.941 -0.603 1.188) 5.118 21.982 ( -4.941 0.603 1.188) 5.118 22.413 ( -2.926 -6.159 3.933) 7.872 22.413 ( -2.926 6.159 3.933) 7.872 22.638 ( -5.670 -8.169 -7.839) 12.662 22.638 ( -5.670 8.169 -7.839) 12.662 25.225 ( -1.367 -4.285 7.051) 8.363 25.225 ( -1.367 4.285 7.051) 8.363 25.457 ( -1.812 -2.406 -2.319) 3.801 25.457 ( -1.812 2.406 -2.319) 3.801 29.020 ( 0.068 -1.941 1.577) 2.502 29.020 ( 0.068 1.941 1.577) 2.502 29.161 ( -1.452 -1.004 0.126) 1.770 29.161 ( -1.452 1.004 0.126) 1.770 29.647 ( 5.611 -0.146 5.473) 7.839 29.647 ( 5.611 0.146 5.473) 7.839 29.848 ( 7.817 -1.366 -5.057) 9.410 29.848 ( 7.817 1.366 -5.057) 9.410 34.451 ( -1.676 -1.831 -0.578) 2.549 34.451 ( -1.676 1.831 -0.578) 2.549 34.477 ( -1.116 -0.540 -1.499) 1.945 34.477 ( -1.116 0.540 -1.499) 1.945 97.750 ( -0.617 -2.102 4.607) 5.102 97.750 ( -0.617 2.102 4.607) 5.102 97.896 ( -1.110 -0.423 -1.852) 2.200 97.896 ( -1.110 0.423 -1.852) 2.200 100.068 ( -2.057 -3.549 -2.911) 5.030 100.068 ( -2.057 3.549 -2.911) 5.030 100.304 ( -1.272 -2.076 -2.277) 3.334 100.304 ( -1.272 2.076 -2.277) 3.334 ======================= Grid point 136 (51/72) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 22.184 -13.143 21.083) 33.307 2.865 ( 22.184 13.143 21.083) 33.307 2.985 ( 26.791 -15.518 19.074) 36.365 2.985 ( 26.791 15.518 19.074) 36.365 3.874 ( 13.927 -12.487 -25.048) 31.261 3.874 ( 13.927 12.487 -25.048) 31.261 4.037 ( 12.560 -15.132 -23.848) 30.910 4.037 ( 12.560 15.132 -23.848) 30.910 4.668 ( 22.679 -27.686 27.159) 44.928 4.668 ( 22.679 27.686 27.159) 44.928 4.720 ( 14.957 -14.687 6.675) 21.999 4.720 ( 14.957 14.687 6.675) 21.999 5.116 ( 6.928 -12.155 13.779) 19.637 5.116 ( 6.928 12.155 13.779) 19.637 5.330 ( 4.972 -5.327 6.888) 10.027 5.330 ( 4.972 5.327 6.888) 10.027 5.488 ( 5.205 -8.436 -5.732) 11.450 5.488 ( 5.205 8.436 -5.732) 11.450 5.680 ( 2.055 -14.898 -4.789) 15.783 5.680 ( 2.055 14.898 -4.789) 15.783 5.831 ( -1.756 -5.481 6.733) 8.858 5.831 ( -1.756 5.481 6.733) 8.858 5.990 ( -0.522 -1.046 3.527) 3.716 5.990 ( -0.522 1.046 3.527) 3.716 6.109 ( -1.180 -6.625 -0.420) 6.743 6.109 ( -1.180 6.625 -0.420) 6.743 6.355 ( -8.534 -1.039 4.433) 9.672 6.355 ( -8.534 1.039 4.433) 9.672 6.482 ( 2.501 -1.204 4.683) 5.443 6.482 ( 2.501 1.204 4.683) 5.443 6.699 ( -5.669 -0.570 5.266) 7.758 6.699 ( -5.669 0.570 5.266) 7.758 6.777 ( -7.090 -7.536 0.667) 10.368 6.777 ( -7.090 7.536 0.667) 10.368 6.834 ( -5.908 -6.567 5.545) 10.430 6.834 ( -5.908 6.567 5.545) 10.430 6.998 ( -15.079 -5.284 1.939) 16.095 6.998 ( -15.079 5.284 1.939) 16.095 7.183 ( -2.481 -5.559 -6.807) 9.132 7.183 ( -2.481 5.559 -6.807) 9.132 7.309 ( -11.082 -2.917 4.789) 12.420 7.309 ( -11.082 2.917 4.789) 12.420 7.524 ( -6.395 -0.695 -10.557) 12.363 7.524 ( -6.395 0.695 -10.557) 12.363 7.690 ( -8.806 -1.261 -5.747) 10.591 7.690 ( -8.806 1.261 -5.747) 10.591 7.919 ( 1.137 -8.096 -12.984) 15.344 7.919 ( 1.137 8.096 -12.984) 15.344 8.069 ( -5.485 -2.934 -4.426) 7.634 8.069 ( -5.485 2.934 -4.426) 7.634 8.209 ( 1.958 -8.648 -4.108) 9.772 8.209 ( 1.958 8.648 -4.108) 9.772 8.423 ( -1.849 -11.502 1.436) 11.738 8.423 ( -1.849 11.502 1.436) 11.738 8.621 ( -2.725 -8.323 -7.378) 11.451 8.621 ( -2.725 8.323 -7.378) 11.451 8.723 ( -3.101 -8.344 -10.999) 14.149 8.723 ( -3.101 8.344 -10.999) 14.149 8.775 ( -1.465 -4.544 -5.861) 7.559 8.775 ( -1.465 4.544 -5.861) 7.559 9.094 ( 4.157 -3.980 2.885) 6.438 9.094 ( 4.157 3.980 2.885) 6.438 9.131 ( 2.271 -7.034 -3.074) 8.006 9.131 ( 2.271 7.034 -3.074) 8.006 9.433 ( 0.026 -3.912 -2.328) 4.552 9.433 ( 0.026 3.912 -2.328) 4.552 9.702 ( -2.806 -5.281 0.853) 6.041 9.702 ( -2.806 5.281 0.853) 6.041 9.765 ( -1.547 -3.792 0.062) 4.096 9.765 ( -1.547 3.792 0.062) 4.096 9.863 ( 1.245 -2.804 -1.939) 3.629 9.863 ( 1.245 2.804 -1.939) 3.629 10.014 ( 3.813 -2.440 -5.016) 6.757 10.014 ( 3.813 2.440 -5.016) 6.757 10.142 ( -2.383 -1.889 -1.845) 3.557 10.142 ( -2.383 1.889 -1.845) 3.557 10.232 ( -5.332 -0.591 -1.184) 5.493 10.232 ( -5.332 0.591 -1.184) 5.493 10.343 ( -2.226 -3.112 -0.300) 3.838 10.343 ( -2.226 3.112 -0.300) 3.838 10.434 ( -6.118 -4.638 -2.454) 8.060 10.434 ( -6.118 4.638 -2.454) 8.060 10.872 ( -0.867 -2.077 5.690) 6.119 10.872 ( -0.867 2.077 5.690) 6.119 11.023 ( 2.193 -1.843 -0.210) 2.872 11.023 ( 2.193 1.843 -0.210) 2.872 11.093 ( 3.819 -4.185 5.348) 7.791 11.093 ( 3.819 4.185 5.348) 7.791 11.256 ( -0.418 -7.585 4.613) 8.887 11.256 ( -0.418 7.585 4.613) 8.887 11.336 ( 1.398 -5.279 2.746) 6.113 11.336 ( 1.398 5.279 2.746) 6.113 11.418 ( 7.728 -4.700 0.270) 9.049 11.418 ( 7.728 4.700 0.270) 9.049 11.624 ( -3.422 -2.083 -8.486) 9.385 11.624 ( -3.422 2.083 -8.486) 9.385 11.697 ( 1.178 -1.317 4.464) 4.801 11.697 ( 1.178 1.317 4.464) 4.801 11.859 ( -0.134 -3.386 -3.174) 4.643 11.859 ( -0.134 3.386 -3.174) 4.643 11.994 ( 1.944 -5.244 2.219) 6.017 11.994 ( 1.944 5.244 2.219) 6.017 12.080 ( 1.554 -2.685 -0.346) 3.122 12.080 ( 1.554 2.685 -0.346) 3.122 12.163 ( -5.496 -2.722 2.543) 6.639 12.163 ( -5.496 2.722 2.543) 6.639 12.284 ( 8.733 -4.926 1.276) 10.107 12.284 ( 8.733 4.926 1.276) 10.107 12.446 ( 2.978 -5.900 5.483) 8.587 12.446 ( 2.978 5.900 5.483) 8.587 12.579 ( -6.736 -5.814 4.651) 10.040 12.579 ( -6.736 5.814 4.651) 10.040 12.695 ( -7.393 -1.169 0.625) 7.511 12.695 ( -7.393 1.169 0.625) 7.511 12.828 ( -4.951 -8.085 -2.198) 9.732 12.828 ( -4.951 8.085 -2.198) 9.732 12.978 ( -2.127 -4.007 -2.964) 5.419 12.978 ( -2.127 4.007 -2.964) 5.419 13.024 ( -3.741 -1.631 0.956) 4.191 13.024 ( -3.741 1.631 0.956) 4.191 13.162 ( 3.404 -1.787 -1.601) 4.165 13.162 ( 3.404 1.787 -1.601) 4.165 13.222 ( 1.212 -2.001 -1.007) 2.546 13.222 ( 1.212 2.001 -1.007) 2.546 13.388 ( -10.743 -1.029 -1.059) 10.843 13.388 ( -10.743 1.029 -1.059) 10.843 13.521 ( 1.945 -0.800 1.615) 2.652 13.521 ( 1.945 0.800 1.615) 2.652 13.579 ( -2.661 -4.991 0.334) 5.666 13.579 ( -2.661 4.991 0.334) 5.666 13.879 ( 4.328 -5.975 2.714) 7.861 13.879 ( 4.328 5.975 2.714) 7.861 13.944 ( 6.654 -5.059 3.209) 8.953 13.944 ( 6.654 5.059 3.209) 8.953 14.196 ( -3.671 -6.143 2.048) 7.444 14.196 ( -3.671 6.143 2.048) 7.444 14.344 ( 8.479 -2.940 -0.704) 9.002 14.344 ( 8.479 2.940 -0.704) 9.002 14.569 ( -0.137 -4.717 3.223) 5.714 14.569 ( -0.137 4.717 3.223) 5.714 14.797 ( 1.197 -4.222 -4.333) 6.167 14.797 ( 1.197 4.222 -4.333) 6.167 15.041 ( 2.666 -1.656 -0.480) 3.175 15.041 ( 2.666 1.656 -0.480) 3.175 15.273 ( -2.955 -5.735 1.999) 6.754 15.273 ( -2.955 5.735 1.999) 6.754 15.379 ( -1.470 -7.661 -1.187) 7.891 15.379 ( -1.470 7.661 -1.187) 7.891 15.791 ( 3.853 -3.435 1.937) 5.513 15.791 ( 3.853 3.435 1.937) 5.513 16.055 ( 0.973 -2.646 -0.391) 2.846 16.055 ( 0.973 2.646 -0.391) 2.846 16.176 ( -3.430 -2.057 -1.572) 4.297 16.176 ( -3.430 2.057 -1.572) 4.297 16.275 ( 2.407 -4.848 -0.308) 5.422 16.275 ( 2.407 4.848 -0.308) 5.422 16.450 ( 0.660 -3.129 0.747) 3.284 16.450 ( 0.660 3.129 0.747) 3.284 16.845 ( 3.958 -3.940 8.310) 10.012 16.845 ( 3.958 3.940 8.310) 10.012 17.107 ( -0.429 -1.547 1.342) 2.092 17.107 ( -0.429 1.547 1.342) 2.092 17.418 ( 3.540 -8.306 0.543) 9.045 17.418 ( 3.540 8.306 0.543) 9.045 17.510 ( 2.874 -3.267 -5.892) 7.324 17.510 ( 2.874 3.267 -5.892) 7.324 18.099 ( -13.093 -3.077 -0.761) 13.471 18.099 ( -13.093 3.077 -0.761) 13.471 18.473 ( 1.199 -0.526 -0.538) 1.416 18.473 ( 1.199 0.526 -0.538) 1.416 19.766 ( 0.213 -5.089 -1.961) 5.458 19.766 ( 0.213 5.089 -1.961) 5.458 20.596 ( 4.738 -2.068 -1.300) 5.331 20.596 ( 4.738 2.068 -1.300) 5.331 20.650 ( 4.102 -6.339 -1.669) 7.733 20.650 ( 4.102 6.339 -1.669) 7.733 21.134 ( 6.659 -10.564 -1.194) 12.545 21.134 ( 6.659 10.564 -1.194) 12.545 21.415 ( -5.819 -6.306 1.654) 8.738 21.415 ( -5.819 6.306 1.654) 8.738 21.858 ( -7.372 -1.038 1.436) 7.582 21.858 ( -7.372 1.038 1.436) 7.582 22.335 ( -4.980 -5.750 1.797) 7.817 22.335 ( -4.980 5.750 1.797) 7.817 22.512 ( -6.564 -7.692 -5.505) 11.513 22.512 ( -6.564 7.692 -5.505) 11.513 25.203 ( -0.748 -2.242 6.783) 7.183 25.203 ( -0.748 2.242 6.783) 7.183 25.414 ( -2.546 -2.056 -2.653) 4.213 25.414 ( -2.546 2.056 -2.653) 4.213 29.023 ( 0.297 -1.426 1.779) 2.300 29.023 ( 0.297 1.426 1.779) 2.300 29.130 ( -1.676 -1.222 -0.520) 2.139 29.130 ( -1.676 1.222 -0.520) 2.139 29.789 ( 8.634 -0.781 5.344) 10.184 29.789 ( 8.634 0.781 5.344) 10.184 30.016 ( 8.602 -3.026 -6.250) 11.055 30.016 ( 8.602 3.026 -6.250) 11.055 34.412 ( -2.191 -1.524 0.039) 2.669 34.412 ( -2.191 1.524 0.039) 2.669 34.446 ( -1.992 -0.215 -1.527) 2.519 34.446 ( -1.992 0.215 -1.527) 2.519 97.740 ( -0.265 -1.117 4.043) 4.202 97.740 ( -0.265 1.117 4.043) 4.202 97.869 ( -1.587 -0.297 -1.919) 2.508 97.869 ( -1.587 0.297 -1.919) 2.508 100.031 ( -1.484 -3.733 -1.032) 4.148 100.031 ( -1.484 3.733 -1.032) 4.148 100.262 ( -2.985 -1.069 -1.977) 3.736 100.262 ( -2.985 1.069 -1.977) 3.736 ======================= Grid point 138 (52/72) ======================= q-point: ( 0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( 26.192 -11.881 14.181) 32.067 3.335 ( 26.192 11.881 14.181) 32.067 3.552 ( 30.786 -7.598 14.620) 34.918 3.552 ( 30.786 7.598 14.620) 34.918 4.170 ( 16.064 -9.338 -14.903) 23.819 4.170 ( 16.064 9.338 -14.903) 23.819 4.356 ( 19.370 -10.414 -18.659) 28.841 4.356 ( 19.370 10.414 -18.659) 28.841 4.836 ( 7.234 -10.142 1.367) 12.533 4.836 ( 7.234 10.142 1.367) 12.533 5.157 ( 3.680 -7.661 7.071) 11.056 5.157 ( 3.680 7.661 7.071) 11.056 5.199 ( 9.227 -7.844 10.492) 16.023 5.199 ( 9.227 7.844 10.492) 16.023 5.397 ( 1.776 -6.253 8.960) 11.069 5.397 ( 1.776 6.253 8.960) 11.069 5.513 ( -3.906 -3.025 12.909) 13.822 5.513 ( -3.906 3.025 12.909) 13.822 5.695 ( -0.765 -4.768 1.039) 4.939 5.695 ( -0.765 4.768 1.039) 4.939 5.834 ( -0.315 -7.953 10.983) 13.564 5.834 ( -0.315 7.953 10.983) 13.564 5.933 ( -1.755 -0.192 -1.261) 2.169 5.933 ( -1.755 0.192 -1.261) 2.169 6.086 ( -1.289 -5.715 1.464) 6.038 6.086 ( -1.289 5.715 1.464) 6.038 6.237 ( -2.462 -5.898 3.056) 7.085 6.237 ( -2.462 5.898 3.056) 7.085 6.429 ( -14.592 -5.918 8.158) 17.734 6.429 ( -14.592 5.918 8.158) 17.734 6.539 ( -3.638 -4.769 -0.304) 6.006 6.539 ( -3.638 4.769 -0.304) 6.006 6.650 ( -3.528 -5.768 2.621) 7.251 6.650 ( -3.528 5.768 2.621) 7.251 6.738 ( -0.448 -4.199 4.365) 6.074 6.738 ( -0.448 4.199 4.365) 6.074 6.822 ( -7.397 -6.540 0.706) 9.899 6.822 ( -7.397 6.540 0.706) 9.899 7.069 ( -3.671 -2.001 -1.478) 4.435 7.069 ( -3.671 2.001 -1.478) 4.435 7.231 ( 0.249 -5.640 -7.280) 9.212 7.231 ( 0.249 5.640 -7.280) 9.212 7.436 ( -6.855 -0.305 -8.701) 11.081 7.436 ( -6.855 0.305 -8.701) 11.081 7.534 ( -2.618 -3.874 0.897) 4.761 7.534 ( -2.618 3.874 0.897) 4.761 7.814 ( -9.466 -7.244 -9.935) 15.518 7.814 ( -9.466 7.244 -9.935) 15.518 8.049 ( 2.348 -1.457 -6.026) 6.629 8.049 ( 2.348 1.457 -6.026) 6.629 8.233 ( -10.299 -9.047 -4.552) 14.444 8.233 ( -10.299 9.047 -4.552) 14.444 8.337 ( 1.408 -12.194 -4.797) 13.179 8.337 ( 1.408 12.194 -4.797) 13.179 8.473 ( -3.745 -9.521 -1.173) 10.298 8.473 ( -3.745 9.521 -1.173) 10.298 8.687 ( 0.612 -4.581 -13.039) 13.833 8.687 ( 0.612 4.581 -13.039) 13.833 8.943 ( 12.497 -5.659 -3.875) 14.255 8.943 ( 12.497 5.659 -3.875) 14.255 9.062 ( -4.292 -1.016 -0.110) 4.412 9.062 ( -4.292 1.016 -0.110) 4.412 9.303 ( 9.435 -4.720 -3.377) 11.077 9.303 ( 9.435 4.720 -3.377) 11.077 9.437 ( -0.854 -1.596 1.944) 2.656 9.437 ( -0.854 1.596 1.944) 2.656 9.644 ( -1.461 -3.374 0.768) 3.756 9.644 ( -1.461 3.374 0.768) 3.756 9.750 ( -0.393 -2.635 -2.368) 3.565 9.750 ( -0.393 2.635 -2.368) 3.565 9.835 ( -2.463 -3.426 -1.961) 4.653 9.835 ( -2.463 3.426 -1.961) 4.653 10.016 ( -5.849 -2.765 -4.326) 7.783 10.016 ( -5.849 2.765 -4.326) 7.783 10.110 ( -0.692 -1.418 0.296) 1.605 10.110 ( -0.692 1.418 0.296) 1.605 10.172 ( -0.794 -1.394 -4.396) 4.679 10.172 ( -0.794 1.394 -4.396) 4.679 10.262 ( -5.269 -1.863 1.264) 5.730 10.262 ( -5.269 1.863 1.264) 5.730 10.344 ( -2.660 -2.665 -1.294) 3.982 10.344 ( -2.660 2.665 -1.294) 3.982 10.832 ( -3.100 -1.238 0.471) 3.372 10.832 ( -3.100 1.238 0.471) 3.372 11.013 ( -3.796 -3.725 1.837) 5.626 11.013 ( -3.796 3.725 1.837) 5.626 11.110 ( -2.112 -1.428 1.553) 2.986 11.110 ( -2.112 1.428 1.553) 2.986 11.250 ( 0.834 -1.715 5.498) 5.820 11.250 ( 0.834 1.715 5.498) 5.820 11.336 ( -0.873 -2.603 -4.015) 4.864 11.336 ( -0.873 2.603 -4.015) 4.864 11.529 ( -4.087 -5.333 -0.212) 6.722 11.529 ( -4.087 5.333 -0.212) 6.722 11.586 ( 1.751 -1.986 -2.684) 3.770 11.586 ( 1.751 1.986 -2.684) 3.770 11.710 ( 5.956 -5.801 2.598) 8.710 11.710 ( 5.956 5.801 2.598) 8.710 11.868 ( 1.222 -3.148 1.867) 3.858 11.868 ( 1.222 3.148 1.867) 3.858 12.020 ( -2.014 -3.330 -0.256) 3.900 12.020 ( -2.014 3.330 -0.256) 3.900 12.039 ( -2.960 -2.038 -1.097) 3.758 12.039 ( -2.960 2.038 -1.097) 3.758 12.083 ( 1.126 -2.401 -1.521) 3.057 12.083 ( 1.126 2.401 -1.521) 3.057 12.355 ( -6.073 -3.598 7.174) 10.064 12.355 ( -6.073 3.598 7.174) 10.064 12.454 ( -5.509 -5.247 4.096) 8.640 12.454 ( -5.509 5.247 4.096) 8.640 12.498 ( -1.549 -4.276 4.291) 6.252 12.498 ( -1.549 4.276 4.291) 6.252 12.649 ( 3.839 -6.220 -1.890) 7.550 12.649 ( 3.839 6.220 -1.890) 7.550 12.785 ( -3.206 -6.343 -4.972) 8.674 12.785 ( -3.206 6.343 -4.972) 8.674 12.926 ( -2.018 -2.988 -1.233) 3.811 12.926 ( -2.018 2.988 -1.233) 3.811 13.037 ( 8.299 -1.280 -0.105) 8.397 13.037 ( 8.299 1.280 -0.105) 8.397 13.115 ( -8.056 -0.407 -0.260) 8.070 13.115 ( -8.056 0.407 -0.260) 8.070 13.169 ( -2.111 -2.654 1.236) 3.609 13.169 ( -2.111 2.654 1.236) 3.609 13.372 ( 6.631 -4.895 -0.612) 8.264 13.372 ( 6.631 4.895 -0.612) 8.264 13.512 ( -1.753 -2.131 2.019) 3.419 13.512 ( -1.753 2.131 2.019) 3.419 13.641 ( 7.360 -5.738 -0.620) 9.353 13.641 ( 7.360 5.738 -0.620) 9.353 13.904 ( 0.053 -3.470 3.461) 4.902 13.904 ( 0.053 3.470 3.461) 4.902 14.070 ( 4.052 -1.660 5.680) 7.172 14.070 ( 4.052 1.660 5.680) 7.172 14.167 ( 0.591 -3.321 2.405) 4.143 14.167 ( 0.591 3.321 2.405) 4.143 14.504 ( 6.494 -5.579 -0.195) 8.564 14.504 ( 6.494 5.579 -0.195) 8.564 14.546 ( -2.107 -0.977 1.033) 2.542 14.546 ( -2.107 0.977 1.033) 2.542 14.792 ( -0.324 -6.556 -3.195) 7.301 14.792 ( -0.324 6.556 -3.195) 7.301 15.080 ( 1.844 -2.476 0.647) 3.154 15.080 ( 1.844 2.476 0.647) 3.154 15.196 ( -5.268 -4.152 3.521) 7.575 15.196 ( -5.268 4.152 3.521) 7.575 15.372 ( -0.311 -6.645 -3.208) 7.386 15.372 ( -0.311 6.645 -3.208) 7.386 15.816 ( -0.393 -6.454 3.608) 7.405 15.816 ( -0.393 6.454 3.608) 7.405 16.034 ( -7.111 -3.416 1.067) 7.961 16.034 ( -7.111 3.416 1.067) 7.961 16.145 ( 5.306 -0.524 -1.575) 5.560 16.145 ( 5.306 0.524 -1.575) 5.560 16.332 ( 2.180 -1.091 -1.200) 2.717 16.332 ( 2.180 1.091 -1.200) 2.717 16.489 ( 3.230 -1.726 1.114) 3.827 16.489 ( 3.230 1.726 1.114) 3.827 16.893 ( 0.820 -3.529 9.788) 10.437 16.893 ( 0.820 3.529 9.788) 10.437 17.128 ( 2.677 -3.416 -1.685) 4.656 17.128 ( 2.677 3.416 -1.685) 4.656 17.392 ( -3.174 -2.928 0.596) 4.360 17.392 ( -3.174 2.928 0.596) 4.360 17.638 ( 5.854 -3.661 -3.196) 7.609 17.638 ( 5.854 3.661 -3.196) 7.609 17.921 ( -4.929 -2.989 -6.858) 8.959 17.921 ( -4.929 2.989 -6.858) 8.959 18.500 ( 1.488 -0.596 -1.051) 1.917 18.500 ( 1.488 0.596 -1.051) 1.917 19.757 ( -0.683 -3.318 -1.734) 3.806 19.757 ( -0.683 3.318 -1.734) 3.806 20.665 ( 2.364 -2.961 -1.082) 3.941 20.665 ( 2.364 2.961 -1.082) 3.941 20.719 ( 3.819 -3.245 -1.192) 5.151 20.719 ( 3.819 3.245 -1.192) 5.151 21.245 ( 3.392 -10.322 1.118) 10.923 21.245 ( 3.392 10.322 1.118) 10.923 21.292 ( -6.659 -7.499 1.972) 10.221 21.292 ( -6.659 7.499 1.972) 10.221 21.730 ( -4.858 -1.019 0.226) 4.968 21.730 ( -4.858 1.019 0.226) 4.968 22.235 ( -4.905 -3.790 -0.985) 6.276 22.235 ( -4.905 3.790 -0.985) 6.276 22.402 ( -4.685 -5.155 -2.538) 7.414 22.402 ( -4.685 5.155 -2.538) 7.414 25.201 ( 0.564 -0.968 5.274) 5.391 25.201 ( 0.564 0.968 5.274) 5.391 25.362 ( -2.726 -1.401 -2.186) 3.765 25.362 ( -2.726 1.401 -2.186) 3.765 29.031 ( 0.515 -0.781 1.454) 1.729 29.031 ( 0.515 0.781 1.454) 1.729 29.100 ( -1.417 -0.776 -1.025) 1.913 29.100 ( -1.417 0.776 -1.025) 1.913 29.959 ( 8.444 -1.455 4.165) 9.527 29.959 ( 8.444 1.455 4.165) 9.527 30.158 ( 5.855 -3.124 -4.808) 8.195 30.158 ( 5.855 3.124 -4.808) 8.195 34.372 ( -1.788 -1.143 0.225) 2.134 34.372 ( -1.788 1.143 0.225) 2.134 34.405 ( -2.152 -0.241 -1.295) 2.523 34.405 ( -2.152 0.241 -1.295) 2.523 97.742 ( 0.453 -0.520 2.964) 3.043 97.742 ( 0.453 0.520 2.964) 3.043 97.837 ( -1.623 -0.138 -1.545) 2.245 97.837 ( -1.623 0.138 -1.545) 2.245 100.015 ( -0.180 -2.780 -0.113) 2.788 100.015 ( -0.180 2.780 -0.113) 2.788 100.195 ( -3.705 -0.500 -1.507) 4.031 100.195 ( -3.705 0.500 -1.507) 4.031 ======================= Grid point 140 (53/72) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.843 ( 25.013 -9.943 8.760) 28.306 3.843 ( 25.013 9.943 8.760) 28.306 4.142 ( 29.291 -7.057 10.621) 31.946 4.142 ( 29.291 7.057 10.621) 31.946 4.467 ( 13.413 -4.495 -4.202) 14.757 4.467 ( 13.413 4.495 -4.202) 14.757 4.689 ( 11.363 -7.615 -7.197) 15.456 4.689 ( 11.363 7.615 -7.197) 15.456 4.992 ( 6.530 -4.527 -1.061) 8.016 4.992 ( 6.530 4.527 -1.061) 8.016 5.043 ( -6.912 -2.937 5.323) 9.206 5.043 ( -6.912 2.937 5.323) 9.206 5.175 ( -8.563 -2.418 10.164) 13.508 5.175 ( -8.563 2.418 10.164) 13.508 5.345 ( -12.260 -2.962 7.464) 14.656 5.345 ( -12.260 2.962 7.464) 14.656 5.450 ( -1.306 -4.518 0.738) 4.761 5.450 ( -1.306 4.518 0.738) 4.761 5.655 ( -4.659 -5.583 5.670) 9.221 5.655 ( -4.659 5.583 5.670) 9.221 5.764 ( 0.495 -6.314 -1.032) 6.416 5.764 ( 0.495 6.314 -1.032) 6.416 5.873 ( -6.486 -2.001 -1.171) 6.888 5.873 ( -6.486 2.001 -1.171) 6.888 6.089 ( -4.228 -8.961 4.361) 10.826 6.089 ( -4.228 8.961 4.361) 10.826 6.143 ( 0.412 -6.671 6.829) 9.555 6.143 ( 0.412 6.671 6.829) 9.555 6.328 ( -0.976 -2.768 3.597) 4.642 6.328 ( -0.976 2.768 3.597) 4.642 6.418 ( -5.002 -3.566 0.248) 6.148 6.418 ( -5.002 3.566 0.248) 6.148 6.564 ( -9.552 -5.402 -0.207) 10.976 6.564 ( -9.552 5.402 -0.207) 10.976 6.733 ( 3.886 -4.892 -1.839) 6.513 6.733 ( 3.886 4.892 -1.839) 6.513 6.824 ( 3.814 -6.520 0.462) 7.568 6.824 ( 3.813 6.520 0.462) 7.568 7.115 ( 1.926 -3.576 -1.397) 4.295 7.115 ( 1.926 3.576 -1.397) 4.295 7.235 ( 0.370 -6.408 -4.900) 8.075 7.235 ( 0.370 6.408 -4.900) 8.075 7.323 ( 0.496 -2.420 1.877) 3.102 7.323 ( 0.496 2.420 1.877) 3.102 7.487 ( -5.818 -4.185 0.362) 7.176 7.487 ( -5.818 4.185 0.362) 7.176 7.744 ( 4.691 -8.294 3.044) 10.003 7.744 ( 4.691 8.295 3.044) 10.003 7.992 ( -3.786 -1.685 -0.118) 4.146 7.992 ( -3.786 1.685 -0.118) 4.146 8.109 ( -2.007 -9.853 -3.884) 10.779 8.109 ( -2.007 9.853 -3.884) 10.779 8.387 ( 1.228 -7.702 -4.864) 9.192 8.387 ( 1.228 7.702 -4.864) 9.192 8.490 ( 4.723 -10.617 -10.487) 15.653 8.490 ( 4.723 10.617 -10.487) 15.653 8.704 ( -0.020 -5.800 -5.500) 7.993 8.704 ( -0.020 5.800 -5.500) 7.993 8.918 ( -11.407 -2.593 -6.466) 13.367 8.918 ( -11.407 2.593 -6.466) 13.367 9.153 ( 7.041 -3.391 -4.334) 8.937 9.153 ( 7.041 3.391 -4.334) 8.937 9.363 ( -2.078 -2.269 -0.264) 3.088 9.363 ( -2.078 2.269 -0.264) 3.088 9.474 ( 4.591 -5.502 -1.096) 7.249 9.474 ( 4.591 5.502 -1.096) 7.249 9.656 ( 2.049 -2.299 4.235) 5.236 9.656 ( 2.049 2.299 4.235) 5.236 9.754 ( 1.302 -1.981 -5.927) 6.384 9.754 ( 1.302 1.981 -5.927) 6.384 9.800 ( -1.907 -3.660 -1.359) 4.345 9.800 ( -1.907 3.660 -1.359) 4.345 9.894 ( -2.211 -1.867 -2.089) 3.569 9.894 ( -2.211 1.867 -2.089) 3.569 10.073 ( -3.330 -2.802 -1.206) 4.516 10.073 ( -3.330 2.802 -1.206) 4.516 10.156 ( -1.860 -2.611 -2.309) 3.951 10.156 ( -1.860 2.611 -2.309) 3.951 10.211 ( -0.415 -1.414 0.815) 1.684 10.211 ( -0.415 1.414 0.815) 1.684 10.318 ( 0.229 -2.277 -1.798) 2.911 10.318 ( 0.229 2.277 -1.798) 2.911 10.691 ( -10.730 -2.553 -6.075) 12.592 10.691 ( -10.730 2.553 -6.075) 12.592 10.960 ( 0.367 -0.826 1.755) 1.974 10.960 ( 0.367 0.826 1.755) 1.974 11.079 ( -2.661 -2.845 -3.925) 5.530 11.079 ( -2.661 2.845 -3.925) 5.530 11.224 ( -2.016 -2.070 5.575) 6.279 11.224 ( -2.016 2.070 5.575) 6.279 11.307 ( -2.399 -1.722 -0.901) 3.087 11.307 ( -2.399 1.722 -0.901) 3.087 11.443 ( -2.820 -6.010 -0.456) 6.654 11.443 ( -2.820 6.010 -0.456) 6.654 11.624 ( 3.563 -1.964 -0.218) 4.074 11.624 ( 3.563 1.964 -0.218) 4.074 11.823 ( -2.408 -1.068 2.357) 3.534 11.823 ( -2.408 1.068 2.357) 3.534 11.875 ( 1.671 -2.885 3.267) 4.668 11.875 ( 1.671 2.885 3.267) 4.668 11.938 ( -0.044 -3.213 -0.629) 3.274 11.938 ( -0.044 3.213 -0.629) 3.274 12.060 ( 3.332 -2.378 -1.025) 4.220 12.060 ( 3.332 2.378 -1.025) 4.220 12.138 ( 0.958 -2.631 -1.270) 3.075 12.138 ( 0.958 2.631 -1.270) 3.075 12.228 ( -4.387 -6.444 2.938) 8.331 12.228 ( -4.387 6.444 2.938) 8.331 12.353 ( -3.673 -5.491 -2.980) 7.247 12.353 ( -3.673 5.491 -2.980) 7.247 12.445 ( -3.514 -1.938 3.263) 5.173 12.445 ( -3.514 1.938 3.263) 5.173 12.660 ( -0.312 -4.713 -0.746) 4.782 12.660 ( -0.312 4.713 -0.746) 4.782 12.772 ( 0.046 -1.839 -1.377) 2.298 12.772 ( 0.046 1.839 -1.377) 2.298 12.919 ( -1.387 -3.859 -1.235) 4.283 12.919 ( -1.387 3.859 -1.235) 4.283 12.951 ( -2.760 -1.801 -1.636) 3.679 12.951 ( -2.760 1.801 -1.636) 3.679 13.100 ( -4.160 -3.941 -0.592) 5.760 13.100 ( -4.160 3.941 -0.592) 5.760 13.269 ( 8.601 -1.460 5.215) 10.164 13.269 ( 8.601 1.460 5.215) 10.164 13.470 ( -2.265 -3.160 1.368) 4.121 13.470 ( -2.265 3.160 1.368) 4.121 13.548 ( 10.388 -1.987 1.868) 10.740 13.548 ( 10.388 1.987 1.868) 10.740 13.795 ( 7.470 -7.232 2.779) 10.762 13.795 ( 7.470 7.232 2.779) 10.762 13.923 ( 2.178 -6.478 0.945) 6.899 13.923 ( 2.178 6.478 0.945) 6.899 14.053 ( -3.857 -7.683 3.398) 9.244 14.053 ( -3.857 7.683 3.398) 9.244 14.229 ( 3.460 -2.607 1.849) 4.710 14.229 ( 3.460 2.607 1.849) 4.710 14.438 ( -7.590 -3.028 -1.441) 8.298 14.438 ( -7.590 3.028 -1.441) 8.298 14.613 ( 5.591 -3.033 2.862) 6.975 14.613 ( 5.591 3.033 2.862) 6.975 14.860 ( 6.640 -3.428 1.694) 7.662 14.860 ( 6.640 3.428 1.694) 7.662 15.036 ( -7.948 -3.582 5.572) 10.347 15.036 ( -7.948 3.582 5.572) 10.347 15.131 ( -0.597 -4.207 1.324) 4.451 15.131 ( -0.597 4.207 1.324) 4.451 15.341 ( -2.253 -3.196 -5.123) 6.444 15.341 ( -2.253 3.196 -5.123) 6.444 15.807 ( -0.934 -3.799 2.141) 4.460 15.807 ( -0.934 3.799 2.141) 4.460 15.904 ( -4.606 -2.470 1.768) 5.517 15.904 ( -4.606 2.470 1.768) 5.517 16.251 ( 4.506 -3.284 -2.765) 6.224 16.251 ( 4.506 3.284 -2.765) 6.224 16.356 ( 0.567 -3.245 1.088) 3.470 16.356 ( 0.567 3.245 1.088) 3.470 16.558 ( 3.290 -1.205 0.582) 3.552 16.558 ( 3.290 1.205 0.582) 3.552 16.889 ( -0.669 -2.482 10.396) 10.709 16.889 ( -0.669 2.482 10.396) 10.709 17.197 ( 3.830 -3.822 -3.063) 6.218 17.197 ( 3.830 3.822 -3.063) 6.218 17.330 ( -2.950 -2.057 0.480) 3.628 17.330 ( -2.950 2.057 0.480) 3.628 17.666 ( -1.763 -3.122 0.933) 3.705 17.666 ( -1.763 3.122 0.933) 3.705 17.914 ( 2.495 -2.899 -12.837) 13.395 17.914 ( 2.495 2.899 -12.837) 13.395 18.525 ( 0.955 -0.413 -1.389) 1.735 18.525 ( 0.955 0.413 -1.389) 1.735 19.748 ( -0.261 -1.643 -1.866) 2.500 19.748 ( -0.261 1.643 -1.866) 2.500 20.684 ( 0.189 -1.647 -1.497) 2.234 20.684 ( 0.189 1.647 -1.497) 2.234 20.823 ( 6.695 -1.988 0.654) 7.015 20.823 ( 6.695 1.988 0.654) 7.015 21.146 ( -7.988 -4.710 2.918) 9.722 21.146 ( -7.988 4.710 2.918) 9.722 21.261 ( -1.238 -5.966 0.512) 6.115 21.261 ( -1.238 5.966 0.512) 6.115 21.689 ( 0.013 -1.219 -0.249) 1.244 21.689 ( 0.013 1.219 -0.249) 1.244 22.159 ( -2.728 -1.757 -2.468) 4.077 22.159 ( -2.728 1.757 -2.468) 4.077 22.332 ( -2.523 -2.451 -0.784) 3.604 22.332 ( -2.523 2.451 -0.784) 3.604 25.222 ( 1.601 -0.468 3.152) 3.566 25.222 ( 1.601 0.468 3.152) 3.566 25.310 ( -2.615 -0.842 -0.817) 2.866 25.310 ( -2.615 0.842 -0.817) 2.866 29.043 ( 0.675 -0.240 0.692) 0.996 29.043 ( 0.675 0.240 0.692) 0.996 29.076 ( -1.077 -0.251 -0.896) 1.423 29.076 ( -1.077 0.251 -0.896) 1.423 30.098 ( 5.508 -1.526 1.960) 6.042 30.098 ( 5.508 1.526 1.960) 6.042 30.238 ( 2.400 -2.319 -2.043) 3.913 30.238 ( 2.400 2.319 -2.043) 3.913 34.346 ( -0.817 -0.837 -0.021) 1.170 34.346 ( -0.817 0.837 -0.021) 1.170 34.368 ( -1.538 -0.445 -0.830) 1.804 34.368 ( -1.538 0.445 -0.830) 1.804 97.757 ( 1.001 -0.266 1.683) 1.976 97.757 ( 1.001 0.266 1.683) 1.976 97.807 ( -1.502 -0.107 -0.705) 1.662 97.807 ( -1.502 0.107 -0.705) 1.662 100.024 ( 1.012 -1.671 -0.010) 1.954 100.024 ( 1.012 1.671 -0.010) 1.954 100.126 ( -3.239 -0.200 -0.982) 3.391 100.126 ( -3.239 0.200 -0.982) 3.391 ======================= Grid point 142 (54/72) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.160 ( -0.000 0.000 1.995) 1.995 4.160 ( 0.000 0.000 1.995) 1.995 4.508 ( 0.000 -0.000 6.412) 6.412 4.508 ( -0.000 0.000 6.412) 6.412 4.695 ( -0.000 0.000 10.384) 10.384 4.695 ( 0.008 0.002 10.384) 10.384 4.696 ( -0.009 -0.002 7.237) 7.237 4.696 ( 0.001 0.000 7.237) 7.237 4.864 ( -0.000 0.000 5.132) 5.132 4.864 ( 0.000 -0.000 5.132) 5.132 5.007 ( -0.000 -0.000 1.617) 1.617 5.007 ( 0.000 0.000 1.617) 1.617 5.119 ( 0.000 0.000 5.944) 5.944 5.119 ( 0.000 0.000 5.944) 5.944 5.316 ( 0.000 -0.000 -3.893) 3.893 5.316 ( 0.000 0.000 -3.893) 3.893 5.325 ( -0.000 -0.000 -3.908) 3.908 5.325 ( -0.000 0.000 -3.908) 3.908 5.658 ( -0.000 0.000 3.935) 3.935 5.658 ( 0.000 0.000 3.935) 3.935 5.670 ( 0.000 -0.000 0.514) 0.514 5.670 ( 0.000 -0.000 0.514) 0.514 5.833 ( 0.000 0.000 -2.960) 2.960 5.833 ( 0.000 0.000 -2.960) 2.960 6.122 ( 0.000 -0.000 -3.747) 3.747 6.122 ( 0.000 0.000 -3.747) 3.747 6.159 ( 0.000 -0.000 9.233) 9.233 6.159 ( 0.000 0.000 9.233) 9.233 6.265 ( -0.000 0.000 0.664) 0.664 6.265 ( -0.000 0.000 0.664) 0.664 6.319 ( 0.000 -0.000 5.307) 5.307 6.319 ( 0.000 0.000 5.307) 5.307 6.479 ( 0.000 0.000 -0.416) 0.416 6.479 ( 0.000 0.000 -0.416) 0.416 6.832 ( -0.000 -0.000 -8.378) 8.378 6.832 ( 0.000 0.000 -8.378) 8.378 6.844 ( -0.000 -0.000 2.323) 2.323 6.844 ( -0.000 0.000 2.323) 2.323 7.125 ( 0.000 -0.000 7.184) 7.184 7.125 ( 0.000 0.000 7.184) 7.184 7.152 ( 0.000 -0.000 -5.420) 5.420 7.152 ( -0.000 0.000 -5.420) 5.420 7.400 ( -0.000 -0.000 0.220) 0.220 7.400 ( -0.000 0.000 0.220) 0.220 7.412 ( 0.000 -0.000 0.206) 0.206 7.412 ( 0.000 0.000 0.206) 0.206 7.889 ( 0.000 -0.000 -1.256) 1.256 7.889 ( -0.000 0.000 -1.256) 1.256 7.963 ( 0.000 -0.000 6.508) 6.508 7.963 ( 0.000 0.000 6.508) 6.508 8.093 ( 0.000 0.000 -0.855) 0.855 8.093 ( 0.000 0.000 -0.855) 0.855 8.380 ( -0.000 -0.000 -3.011) 3.011 8.380 ( 0.000 0.000 -3.011) 3.011 8.607 ( 0.000 -0.000 -4.673) 4.673 8.607 ( 0.000 0.000 -4.673) 4.673 8.644 ( -0.000 -0.000 -9.213) 9.213 8.644 ( -0.000 0.000 -9.213) 9.213 8.743 ( 0.000 0.000 -6.552) 6.552 8.743 ( -0.000 0.000 -6.552) 6.552 9.216 ( 0.000 0.000 -5.721) 5.721 9.216 ( 0.000 0.000 -5.721) 5.721 9.330 ( 0.000 0.000 -1.835) 1.835 9.330 ( 0.000 0.000 -1.835) 1.835 9.530 ( 0.000 0.000 3.863) 3.863 9.530 ( 0.000 0.000 3.863) 3.863 9.690 ( 0.000 0.000 -5.720) 5.720 9.690 ( 0.000 0.000 -5.720) 5.720 9.769 ( -0.000 -0.000 3.662) 3.662 9.769 ( 0.000 0.000 3.662) 3.662 9.790 ( 0.000 0.000 -1.616) 1.616 9.790 ( 0.000 0.000 -1.616) 1.616 9.885 ( 0.000 0.000 -1.502) 1.502 9.885 ( 0.000 0.000 -1.502) 1.502 10.045 ( 0.000 0.000 -1.849) 1.849 10.045 ( 0.000 0.000 -1.849) 1.849 10.119 ( 0.000 0.000 -6.108) 6.108 10.119 ( 0.000 0.000 -6.108) 6.108 10.223 ( 0.000 0.000 1.738) 1.738 10.223 ( 0.000 -0.000 1.738) 1.738 10.316 ( 0.000 -0.000 -3.563) 3.563 10.316 ( 0.000 0.000 -3.563) 3.563 10.558 ( 0.000 0.000 -6.354) 6.354 10.558 ( -0.000 0.000 -6.354) 6.354 10.998 ( 0.000 -0.000 -9.425) 9.425 10.998 ( 0.000 0.000 -9.425) 9.425 11.012 ( -0.000 -0.000 3.938) 3.938 11.012 ( 0.000 0.000 3.938) 3.938 11.204 ( 0.000 -0.000 6.406) 6.406 11.204 ( 0.000 0.000 6.406) 6.406 11.280 ( 0.000 0.000 -1.063) 1.063 11.280 ( 0.000 0.000 -1.063) 1.063 11.419 ( 0.000 0.000 2.269) 2.269 11.419 ( 0.000 0.000 2.269) 2.269 11.700 ( 0.000 0.000 -1.119) 1.119 11.700 ( 0.000 0.000 -1.119) 1.119 11.739 ( -0.000 -0.000 -1.794) 1.794 11.739 ( -0.000 0.000 -1.794) 1.794 11.864 ( 0.000 0.000 3.806) 3.806 11.864 ( 0.000 0.000 3.806) 3.806 12.023 ( 0.000 0.000 6.250) 6.250 12.023 ( 0.000 0.000 6.250) 6.250 12.051 ( 0.000 -0.000 -0.224) 0.224 12.051 ( -0.000 0.000 -0.224) 0.224 12.131 ( -0.000 0.000 -2.148) 2.148 12.131 ( 0.000 0.000 -2.148) 2.148 12.219 ( 0.000 -0.000 -2.273) 2.273 12.219 ( 0.000 0.000 -2.273) 2.273 12.306 ( 0.000 -0.000 -4.982) 4.982 12.306 ( 0.000 0.000 -4.982) 4.982 12.407 ( 0.000 -0.000 0.746) 0.746 12.407 ( 0.000 0.000 0.746) 0.746 12.702 ( -0.000 0.000 -1.110) 1.110 12.702 ( 0.000 0.000 -1.110) 1.110 12.721 ( 0.000 -0.000 4.119) 4.119 12.721 ( 0.000 -0.000 4.119) 4.119 12.871 ( 0.000 0.000 -1.689) 1.689 12.871 ( 0.000 0.000 -1.689) 1.689 13.009 ( -0.000 -0.000 -3.044) 3.044 13.009 ( 0.000 0.000 -3.044) 3.044 13.014 ( -0.000 0.000 -0.758) 0.758 13.014 ( 0.000 0.000 -0.758) 0.758 13.371 ( -0.000 0.000 5.575) 5.575 13.371 ( 0.000 0.000 5.575) 5.575 13.422 ( -0.000 -0.000 1.971) 1.971 13.422 ( 0.000 0.000 1.971) 1.971 13.677 ( 0.000 0.000 3.552) 3.552 13.677 ( 0.000 0.000 3.552) 3.552 13.884 ( 0.000 -0.000 5.338) 5.338 13.884 ( 0.000 0.000 5.338) 5.338 13.971 ( 0.000 -0.000 2.734) 2.734 13.971 ( 0.000 0.000 2.734) 2.734 13.986 ( 0.000 -0.000 -0.795) 0.795 13.986 ( -0.000 0.000 -0.795) 0.795 14.263 ( 0.000 0.000 -1.612) 1.612 14.263 ( 0.000 0.000 -1.612) 1.612 14.326 ( -0.000 -0.000 -1.385) 1.385 14.326 ( 0.000 -0.000 -1.385) 1.385 14.731 ( -0.000 -0.000 3.863) 3.863 14.731 ( 0.000 0.000 3.863) 3.863 14.872 ( 0.000 0.000 6.203) 6.203 14.872 ( 0.000 0.000 6.203) 6.203 14.984 ( 0.000 -0.000 5.198) 5.198 14.984 ( -0.000 0.000 5.198) 5.198 15.099 ( 0.000 -0.000 0.678) 0.678 15.099 ( 0.000 0.000 0.678) 0.678 15.318 ( -0.000 0.000 -5.305) 5.305 15.318 ( 0.000 0.000 -5.305) 5.305 15.784 ( 0.000 0.000 0.221) 0.221 15.784 ( 0.000 0.000 0.221) 0.221 15.871 ( 0.000 0.000 3.100) 3.100 15.871 ( 0.000 0.000 3.100) 3.100 16.298 ( 0.000 -0.000 -5.019) 5.019 16.298 ( 0.000 0.000 -5.019) 5.019 16.360 ( -0.000 -0.000 3.745) 3.745 16.360 ( 0.000 0.000 3.745) 3.745 16.594 ( 0.000 -0.000 -0.107) 0.107 16.594 ( 0.000 0.000 -0.107) 0.107 16.881 ( 0.000 0.000 10.514) 10.514 16.881 ( 0.000 0.000 10.514) 10.514 17.247 ( 0.000 -0.000 -4.869) 4.869 17.247 ( 0.000 0.000 -4.869) 4.869 17.292 ( -0.000 -0.000 2.144) 2.144 17.292 ( 0.000 0.000 2.144) 2.144 17.640 ( 0.000 0.000 0.728) 0.728 17.640 ( 0.000 0.000 0.728) 0.728 17.945 ( 0.000 0.000 -13.266) 13.266 17.945 ( 0.000 0.000 -13.266) 13.266 18.534 ( 0.000 0.000 -1.488) 1.488 18.534 ( 0.000 0.000 -1.488) 1.488 19.746 ( 0.000 0.000 -1.961) 1.961 19.746 ( 0.000 0.000 -1.961) 1.961 20.685 ( 0.000 0.000 -1.426) 1.426 20.685 ( 0.000 0.000 -1.426) 1.426 20.941 ( 0.000 0.000 1.792) 1.792 20.941 ( 0.000 -0.000 1.792) 1.792 21.015 ( -0.000 0.000 2.195) 2.195 21.015 ( 0.000 0.000 2.195) 2.195 21.243 ( 0.000 0.000 0.163) 0.163 21.243 ( 0.000 0.000 0.163) 0.163 21.695 ( 0.000 0.000 0.055) 0.055 21.695 ( 0.000 0.000 0.055) 0.055 22.133 ( 0.000 0.000 -2.892) 2.892 22.133 ( 0.000 0.000 -2.892) 2.892 22.308 ( 0.000 0.000 -0.258) 0.258 22.308 ( 0.000 0.000 -0.258) 0.258 25.254 ( -0.000 0.000 0.792) 0.792 25.254 ( 0.000 0.000 0.792) 0.792 25.269 ( -0.000 0.000 1.291) 1.291 25.269 ( 0.000 0.000 1.291) 1.291 29.057 ( -0.812 -0.009 -0.230) 0.844 29.057 ( -0.810 0.009 -0.231) 0.842 29.057 ( 0.810 -0.009 -0.198) 0.834 29.057 ( 0.812 0.009 -0.198) 0.836 30.155 ( 0.000 0.000 0.225) 0.225 30.155 ( 0.000 0.000 0.225) 0.225 30.258 ( 0.000 0.000 -0.083) 0.083 30.258 ( 0.000 0.000 -0.083) 0.083 34.340 ( 0.000 -0.000 -0.443) 0.443 34.340 ( 0.000 0.000 -0.443) 0.443 34.351 ( 0.000 0.000 -0.342) 0.342 34.351 ( 0.000 0.000 -0.342) 0.342 97.777 ( -0.000 0.000 0.376) 0.376 97.777 ( 0.000 0.000 0.376) 0.376 97.782 ( 0.000 0.000 0.463) 0.463 97.782 ( 0.000 0.000 0.463) 0.463 100.043 ( -0.000 -0.000 -0.244) 0.244 100.043 ( 0.000 0.000 -0.244) 0.244 100.085 ( 0.000 0.000 -0.577) 0.577 100.085 ( 0.000 0.000 -0.577) 0.577 ======================= Grid point 165 (55/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 0.000 0.000 -42.848) 42.848 2.474 ( 0.000 0.000 42.848) 42.848 2.576 ( 0.000 0.000 -45.254) 45.254 2.576 ( 0.000 0.000 45.254) 45.254 3.815 ( 0.000 0.000 -27.145) 27.145 3.815 ( 0.000 0.000 27.145) 27.145 3.823 ( 0.000 0.000 -26.733) 26.733 3.823 ( 0.000 0.000 26.733) 26.733 4.143 ( 0.000 0.000 -11.424) 11.424 4.143 ( 0.000 0.000 11.424) 11.424 4.308 ( 0.000 0.000 -4.290) 4.290 4.308 ( 0.000 0.000 4.290) 4.290 4.535 ( 0.000 0.000 -31.267) 31.267 4.535 ( 0.000 0.000 31.267) 31.267 5.082 ( 0.000 0.000 -6.200) 6.200 5.082 ( 0.000 0.000 6.200) 6.200 5.637 ( 0.000 0.000 -5.456) 5.456 5.637 ( 0.000 0.000 5.456) 5.456 5.822 ( 0.000 0.000 -2.988) 2.988 5.822 ( 0.000 0.000 2.988) 2.988 5.854 ( 0.000 0.000 -0.742) 0.742 5.854 ( 0.000 0.000 0.742) 0.742 5.990 ( 0.000 0.000 -7.984) 7.984 5.990 ( 0.000 0.000 7.984) 7.984 6.139 ( 0.000 0.000 -11.171) 11.171 6.139 ( 0.000 0.000 11.171) 11.171 6.272 ( 0.000 0.000 -6.178) 6.178 6.272 ( 0.000 0.000 6.178) 6.178 6.746 ( 0.000 0.000 -5.282) 5.282 6.746 ( 0.000 0.000 5.282) 5.282 6.883 ( 0.000 0.000 -3.995) 3.995 6.883 ( 0.000 0.000 3.995) 3.995 6.904 ( 0.000 0.000 -9.784) 9.784 6.904 ( 0.000 0.000 9.784) 9.784 6.959 ( 0.000 0.000 -8.099) 8.099 6.959 ( 0.000 0.000 8.099) 8.099 7.018 ( 0.000 0.000 -6.450) 6.450 7.018 ( 0.000 0.000 6.450) 6.450 7.355 ( 0.000 0.000 -12.187) 12.187 7.355 ( 0.000 0.000 12.187) 12.187 7.727 ( 0.000 0.000 -10.818) 10.818 7.727 ( 0.000 0.000 10.818) 10.818 7.747 ( 0.000 0.000 -5.102) 5.102 7.747 ( 0.000 0.000 5.102) 5.102 7.844 ( 0.000 0.000 -11.818) 11.818 7.844 ( 0.000 0.000 11.818) 11.818 8.088 ( 0.000 0.000 -24.652) 24.652 8.088 ( 0.000 0.000 24.652) 24.652 8.090 ( 0.000 0.000 -21.897) 21.897 8.090 ( 0.000 0.000 21.897) 21.897 8.126 ( 0.000 0.000 -3.491) 3.491 8.126 ( 0.000 0.000 3.491) 3.491 8.339 ( 0.000 0.000 -8.752) 8.752 8.339 ( 0.000 0.000 8.752) 8.752 8.430 ( 0.000 0.000 -14.034) 14.034 8.430 ( 0.000 0.000 14.034) 14.034 8.502 ( 0.000 0.000 -0.038) 0.038 8.502 ( 0.000 0.000 0.038) 0.038 8.901 ( 0.000 0.000 -10.853) 10.853 8.901 ( 0.000 0.000 10.853) 10.853 8.918 ( 0.000 0.000 -18.530) 18.530 8.918 ( 0.000 0.000 18.530) 18.530 9.233 ( 0.000 0.000 -3.882) 3.882 9.233 ( 0.000 0.000 3.882) 3.882 9.339 ( 0.000 0.000 -4.225) 4.225 9.339 ( 0.000 0.000 4.225) 4.225 9.688 ( 0.000 0.000 -0.601) 0.601 9.688 ( 0.000 0.000 0.601) 0.601 9.702 ( 0.000 0.000 -2.083) 2.083 9.702 ( 0.000 0.000 2.083) 2.083 9.871 ( 0.000 0.000 -0.851) 0.851 9.871 ( 0.000 0.000 0.851) 0.851 9.963 ( 0.000 0.000 -5.478) 5.478 9.963 ( 0.000 0.000 5.478) 5.478 10.326 ( 0.000 0.000 -0.396) 0.396 10.326 ( 0.000 0.000 0.396) 0.396 10.466 ( 0.000 0.000 -5.304) 5.304 10.466 ( 0.000 0.000 5.304) 5.304 10.524 ( 0.000 0.000 -4.390) 4.390 10.524 ( 0.000 0.000 4.390) 4.390 10.614 ( 0.000 0.000 -2.117) 2.117 10.614 ( 0.000 0.000 2.117) 2.117 10.633 ( 0.000 0.000 -1.901) 1.901 10.633 ( 0.000 0.000 1.901) 1.901 10.788 ( 0.000 0.000 -9.599) 9.599 10.788 ( 0.000 0.000 9.599) 9.599 11.068 ( 0.000 0.000 -8.316) 8.316 11.068 ( 0.000 0.000 8.316) 8.316 11.089 ( 0.000 0.000 -5.234) 5.234 11.089 ( 0.000 0.000 5.234) 5.234 11.261 ( 0.000 0.000 -2.179) 2.179 11.261 ( 0.000 0.000 2.179) 2.179 11.366 ( 0.000 0.000 -0.092) 0.092 11.366 ( 0.000 0.000 0.092) 0.092 11.592 ( 0.000 0.000 -9.725) 9.725 11.592 ( 0.000 0.000 9.725) 9.725 11.672 ( 0.000 0.000 -5.420) 5.420 11.672 ( 0.000 0.000 5.420) 5.420 11.753 ( 0.000 0.000 -5.621) 5.621 11.753 ( 0.000 0.000 5.621) 5.621 11.987 ( 0.000 0.000 -4.057) 4.057 11.987 ( 0.000 0.000 4.057) 4.057 12.092 ( 0.000 0.000 -2.009) 2.009 12.092 ( 0.000 0.000 2.009) 2.009 12.099 ( 0.000 0.000 -7.408) 7.408 12.099 ( 0.000 0.000 7.408) 7.408 12.451 ( 0.000 0.000 -2.626) 2.626 12.451 ( 0.000 0.000 2.626) 2.626 12.593 ( 0.000 0.000 -5.867) 5.867 12.593 ( 0.000 0.000 5.867) 5.867 12.633 ( 0.000 0.000 -7.865) 7.865 12.633 ( 0.000 0.000 7.865) 7.865 12.828 ( 0.000 0.000 -1.339) 1.339 12.828 ( 0.000 0.000 1.339) 1.339 12.956 ( 0.000 0.000 -0.692) 0.692 12.956 ( 0.000 0.000 0.692) 0.692 13.034 ( 0.000 0.000 -0.494) 0.494 13.034 ( 0.000 0.000 0.494) 0.494 13.081 ( 0.000 0.000 -2.898) 2.898 13.081 ( 0.000 0.000 2.898) 2.898 13.116 ( 0.000 0.000 -5.409) 5.409 13.116 ( 0.000 0.000 5.409) 5.409 13.256 ( 0.000 0.000 -6.137) 6.137 13.256 ( 0.000 0.000 6.137) 6.137 13.355 ( 0.000 0.000 -4.103) 4.103 13.355 ( 0.000 0.000 4.103) 4.103 13.445 ( 0.000 0.000 -0.903) 0.903 13.445 ( 0.000 0.000 0.903) 0.903 13.717 ( 0.000 0.000 -0.392) 0.392 13.717 ( 0.000 0.000 0.392) 0.392 13.802 ( 0.000 0.000 -2.184) 2.184 13.802 ( 0.000 0.000 2.184) 2.184 14.090 ( 0.000 0.000 -4.199) 4.199 14.090 ( 0.000 0.000 4.199) 4.199 14.112 ( 0.000 0.000 -12.382) 12.382 14.112 ( 0.000 0.000 12.382) 12.382 14.306 ( 0.000 0.000 -6.947) 6.947 14.306 ( 0.000 0.000 6.947) 6.947 14.518 ( 0.000 0.000 -3.949) 3.949 14.518 ( 0.000 0.000 3.949) 3.949 14.847 ( 0.000 0.000 -10.247) 10.247 14.847 ( 0.000 0.000 10.247) 10.247 14.968 ( 0.000 0.000 -1.755) 1.755 14.968 ( 0.000 0.000 1.755) 1.755 15.199 ( 0.000 0.000 -10.855) 10.855 15.199 ( 0.000 0.000 10.855) 10.855 15.535 ( 0.000 0.000 -7.034) 7.034 15.535 ( 0.000 0.000 7.034) 7.034 15.588 ( 0.000 0.000 -1.927) 1.927 15.588 ( 0.000 0.000 1.927) 1.927 15.864 ( 0.000 0.000 -2.378) 2.378 15.864 ( 0.000 0.000 2.378) 2.378 16.208 ( 0.000 0.000 -8.087) 8.087 16.208 ( 0.000 0.000 8.087) 8.087 16.378 ( 0.000 0.000 -5.246) 5.246 16.378 ( 0.000 0.000 5.246) 5.246 16.466 ( 0.000 0.000 -3.967) 3.967 16.466 ( 0.000 0.000 3.967) 3.967 16.761 ( 0.000 0.000 -11.335) 11.335 16.761 ( 0.000 0.000 11.335) 11.335 17.202 ( 0.000 0.000 -7.911) 7.911 17.202 ( 0.000 0.000 7.911) 7.911 17.273 ( 0.000 0.000 -8.421) 8.421 17.273 ( 0.000 0.000 8.421) 8.421 17.623 ( 0.000 0.000 -4.790) 4.790 17.623 ( 0.000 0.000 4.790) 4.790 18.425 ( 0.000 0.000 -8.561) 8.561 18.425 ( 0.000 0.000 8.561) 8.561 18.498 ( 0.000 0.000 -13.283) 13.283 18.498 ( 0.000 0.000 13.283) 13.283 19.590 ( 0.000 0.000 -2.614) 2.614 19.590 ( 0.000 0.000 2.614) 2.614 20.351 ( 0.000 0.000 -0.270) 0.270 20.351 ( 0.000 0.000 0.270) 0.270 20.516 ( 0.000 0.000 -1.406) 1.406 20.516 ( 0.000 0.000 1.406) 1.406 21.238 ( 0.000 0.000 -3.861) 3.861 21.238 ( 0.000 0.000 3.861) 3.861 21.410 ( 0.000 0.000 -1.546) 1.546 21.410 ( 0.000 0.000 1.546) 1.546 22.208 ( 0.000 0.000 -2.425) 2.425 22.208 ( 0.000 0.000 2.425) 2.425 22.242 ( 0.000 0.000 -2.714) 2.714 22.242 ( 0.000 0.000 2.714) 2.714 22.678 ( 0.000 0.000 -7.398) 7.398 22.678 ( 0.000 0.000 7.398) 7.398 25.283 ( 0.000 0.000 -6.382) 6.382 25.283 ( 0.000 0.000 6.382) 6.382 25.505 ( 0.000 0.000 -1.687) 1.687 25.505 ( 0.000 0.000 1.687) 1.687 29.019 ( 0.000 0.000 -2.114) 2.114 29.019 ( 0.000 0.000 2.114) 2.114 29.204 ( 0.000 0.000 -0.560) 0.560 29.204 ( 0.000 0.000 0.560) 0.560 29.673 ( 0.000 0.000 -4.569) 4.569 29.673 ( 0.000 0.000 4.569) 4.569 29.704 ( 0.000 0.000 -5.005) 5.005 29.704 ( 0.000 0.000 5.005) 5.005 34.433 ( 0.000 0.000 -1.919) 1.919 34.433 ( 0.000 0.000 1.919) 1.919 34.492 ( 0.000 0.000 -0.141) 0.141 34.492 ( 0.000 0.000 0.141) 0.141 97.809 ( 0.000 0.000 -4.664) 4.664 97.809 ( 0.000 0.000 4.664) 4.664 97.897 ( 0.000 0.000 -1.170) 1.170 97.897 ( 0.000 0.000 1.170) 1.170 99.994 ( 0.000 0.000 -4.636) 4.636 99.994 ( 0.000 0.000 4.636) 4.636 100.316 ( 0.000 0.000 -2.503) 2.503 100.316 ( 0.000 0.000 2.503) 2.503 ======================= Grid point 167 (56/72) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 11.901 0.000 -30.498) 32.738 2.596 ( 11.901 0.000 30.498) 32.738 2.656 ( 10.128 0.000 -31.136) 32.742 2.656 ( 10.128 0.000 31.136) 32.742 3.846 ( 7.806 0.000 -18.202) 19.805 3.846 ( 7.806 0.000 18.202) 19.805 4.022 ( 11.869 0.000 -16.498) 20.324 4.022 ( 11.869 0.000 16.498) 20.324 4.220 ( 8.320 0.000 -8.706) 12.042 4.220 ( 8.320 0.000 8.706) 12.042 4.382 ( 7.966 0.000 -0.518) 7.983 4.382 ( 7.966 0.000 0.518) 7.983 4.645 ( 12.588 0.000 -36.461) 38.573 4.645 ( 12.588 0.000 36.461) 38.573 5.125 ( 3.987 0.000 -4.776) 6.222 5.125 ( 3.987 0.000 4.776) 6.222 5.675 ( 3.251 0.000 -5.430) 6.329 5.675 ( 3.251 0.000 5.430) 6.329 5.811 ( -0.554 0.000 -6.151) 6.176 5.811 ( -0.554 0.000 6.151) 6.176 5.942 ( 8.736 0.000 -4.313) 9.743 5.942 ( 8.736 0.000 4.313) 9.743 6.048 ( 2.817 0.000 -7.199) 7.731 6.048 ( 2.817 0.000 7.199) 7.731 6.131 ( 0.559 0.000 -4.704) 4.737 6.131 ( 0.559 0.000 4.704) 4.737 6.304 ( 2.907 0.000 -4.687) 5.515 6.304 ( 2.907 0.000 4.687) 5.515 6.686 ( -5.663 0.000 -1.414) 5.837 6.686 ( -5.663 0.000 1.414) 5.837 6.843 ( -6.776 0.000 -3.166) 7.480 6.843 ( -6.776 0.000 3.166) 7.480 6.872 ( 0.501 0.000 -4.692) 4.719 6.872 ( 0.501 0.000 4.692) 4.719 6.948 ( -2.867 0.000 -7.745) 8.259 6.948 ( -2.867 0.000 7.745) 8.259 7.034 ( 1.022 0.000 -4.995) 5.099 7.034 ( 1.022 0.000 4.995) 5.099 7.367 ( 0.235 0.000 -11.352) 11.355 7.367 ( 0.235 0.000 11.352) 11.355 7.602 ( -14.625 0.000 -10.658) 18.096 7.602 ( -14.625 0.000 10.658) 18.096 7.644 ( -7.117 0.000 -1.867) 7.357 7.644 ( -7.117 0.000 1.867) 7.357 7.710 ( -9.941 0.000 -0.769) 9.971 7.710 ( -9.941 0.000 0.769) 9.971 7.880 ( -14.291 0.000 -11.880) 18.584 7.880 ( -14.291 0.000 11.880) 18.584 7.979 ( -10.515 0.000 -20.044) 22.635 7.979 ( -10.515 0.000 20.044) 22.635 8.160 ( -0.269 0.000 -14.963) 14.966 8.160 ( -0.269 0.000 14.963) 14.966 8.293 ( -0.025 0.000 -1.280) 1.281 8.293 ( -0.025 0.000 1.280) 1.281 8.481 ( 6.343 0.000 -1.978) 6.644 8.481 ( 6.343 0.000 1.978) 6.644 8.661 ( 5.600 0.000 -12.621) 13.808 8.661 ( 5.600 0.000 12.621) 13.808 8.828 ( -5.986 0.000 -12.705) 14.045 8.828 ( -5.986 0.000 12.705) 14.045 9.028 ( 9.633 0.000 -7.680) 12.319 9.028 ( 9.633 0.000 7.680) 12.319 9.188 ( -4.401 0.000 -0.286) 4.410 9.188 ( -4.401 0.000 0.286) 4.410 9.375 ( 2.783 0.000 -6.632) 7.193 9.375 ( 2.783 0.000 6.632) 7.193 9.695 ( 1.992 0.000 -0.230) 2.005 9.695 ( 1.992 0.000 0.230) 2.005 9.771 ( 3.174 0.000 -1.433) 3.482 9.771 ( 3.174 0.000 1.433) 3.482 9.870 ( -0.615 0.000 -0.879) 1.073 9.870 ( -0.615 0.000 0.879) 1.073 9.927 ( -0.097 0.000 -0.200) 0.223 9.927 ( -0.097 0.000 0.200) 0.223 10.214 ( -10.710 0.000 -0.613) 10.728 10.214 ( -10.710 0.000 0.613) 10.728 10.368 ( -5.584 0.000 -1.484) 5.778 10.368 ( -5.584 0.000 1.484) 5.778 10.402 ( -6.510 0.000 -1.522) 6.686 10.402 ( -6.510 0.000 1.522) 6.686 10.536 ( -2.104 0.000 -0.489) 2.160 10.536 ( -2.104 0.000 0.489) 2.160 10.807 ( 4.198 0.000 -9.397) 10.292 10.807 ( 4.198 0.000 9.397) 10.292 10.924 ( 9.213 0.000 -0.007) 9.213 10.924 ( 9.213 0.000 0.007) 9.213 11.060 ( 0.675 0.000 -3.341) 3.408 11.060 ( 0.675 0.000 3.341) 3.408 11.224 ( 7.632 0.000 -6.838) 10.247 11.224 ( 7.632 0.000 6.838) 10.247 11.305 ( 7.253 0.000 -0.132) 7.255 11.305 ( 7.253 0.000 0.132) 7.255 11.452 ( 8.164 0.000 -3.689) 8.959 11.452 ( 8.164 0.000 3.689) 8.959 11.541 ( -4.945 0.000 -5.132) 7.127 11.541 ( -4.945 0.000 5.132) 7.127 11.704 ( 2.344 0.000 -6.528) 6.936 11.704 ( 2.344 0.000 6.528) 6.936 11.769 ( 3.275 0.000 -6.792) 7.541 11.769 ( 3.275 0.000 6.792) 7.541 12.000 ( 0.794 0.000 -2.352) 2.482 12.000 ( 0.794 0.000 2.352) 2.482 12.056 ( -1.087 0.000 -3.308) 3.482 12.056 ( -1.087 0.000 3.308) 3.482 12.154 ( 2.837 0.000 -9.103) 9.535 12.154 ( 2.837 0.000 9.103) 9.535 12.315 ( -9.963 0.000 -2.843) 10.360 12.315 ( -9.963 0.000 2.843) 10.360 12.556 ( -5.789 0.000 -3.164) 6.597 12.556 ( -5.789 0.000 3.164) 6.597 12.596 ( -2.725 0.000 -7.860) 8.319 12.596 ( -2.725 0.000 7.860) 8.319 12.813 ( -0.292 0.000 -2.812) 2.827 12.813 ( -0.292 0.000 2.812) 2.827 12.946 ( -3.156 0.000 -0.116) 3.158 12.946 ( -3.156 0.000 0.116) 3.158 12.983 ( -3.845 0.000 -1.307) 4.061 12.983 ( -3.845 0.000 1.307) 4.061 13.064 ( -4.460 0.000 -2.832) 5.283 13.064 ( -4.460 0.000 2.832) 5.283 13.108 ( 3.865 0.000 -2.048) 4.375 13.108 ( 3.865 0.000 2.048) 4.375 13.289 ( 0.840 0.000 -2.277) 2.427 13.289 ( 0.840 0.000 2.277) 2.427 13.413 ( 10.462 0.000 -8.358) 13.391 13.413 ( 10.462 0.000 8.358) 13.391 13.498 ( -3.508 0.000 -0.221) 3.515 13.498 ( -3.508 0.000 0.221) 3.515 13.653 ( -7.090 0.000 -1.958) 7.356 13.653 ( -7.090 0.000 1.958) 7.356 13.794 ( -0.377 0.000 -2.254) 2.285 13.794 ( -0.377 0.000 2.254) 2.285 14.002 ( -0.894 0.000 -0.017) 0.894 14.002 ( -0.894 0.000 0.017) 0.894 14.179 ( 5.802 0.000 -2.500) 6.318 14.179 ( 5.802 0.000 2.500) 6.318 14.353 ( 0.214 0.000 -1.630) 1.644 14.353 ( 0.214 0.000 1.630) 1.644 14.486 ( -4.202 0.000 -0.350) 4.217 14.486 ( -4.202 0.000 0.350) 4.217 14.784 ( 1.313 0.000 -7.811) 7.921 14.784 ( 1.313 0.000 7.811) 7.921 15.030 ( 3.007 0.000 -3.659) 4.736 15.030 ( 3.007 0.000 3.659) 4.736 15.191 ( -1.986 0.000 -5.866) 6.193 15.191 ( -1.986 0.000 5.866) 6.193 15.554 ( 0.872 0.000 -7.402) 7.453 15.554 ( 0.872 0.000 7.402) 7.453 15.620 ( 4.911 0.000 -3.978) 6.320 15.620 ( 4.911 0.000 3.978) 6.320 15.965 ( 7.475 0.000 -0.651) 7.503 15.965 ( 7.475 0.000 0.651) 7.503 16.177 ( -3.135 0.000 -7.997) 8.589 16.177 ( -3.135 0.000 7.997) 8.589 16.299 ( -6.175 0.000 -3.971) 7.342 16.299 ( -6.175 0.000 3.971) 7.342 16.516 ( 4.144 0.000 -3.112) 5.182 16.516 ( 4.144 0.000 3.112) 5.182 16.812 ( 4.655 0.000 -10.381) 11.377 16.812 ( 4.655 0.000 10.381) 11.377 17.170 ( -2.681 0.000 -5.078) 5.742 17.170 ( -2.681 0.000 5.078) 5.742 17.288 ( 1.276 0.000 -7.175) 7.288 17.288 ( 1.276 0.000 7.175) 7.288 17.620 ( -0.164 0.000 -5.535) 5.538 17.620 ( -0.164 0.000 5.535) 5.538 18.266 ( -15.111 0.000 -13.826) 20.482 18.266 ( -15.111 0.000 13.826) 20.482 18.471 ( -0.033 0.000 -1.462) 1.462 18.471 ( -0.033 0.000 1.462) 1.462 19.673 ( 5.101 0.000 -5.903) 7.802 19.673 ( 5.101 0.000 5.903) 7.802 20.430 ( 6.623 0.000 -1.163) 6.724 20.430 ( 6.623 0.000 1.163) 6.724 20.557 ( 5.112 0.000 -0.166) 5.114 20.557 ( 5.112 0.000 0.166) 5.114 21.182 ( -4.926 0.000 -1.291) 5.092 21.182 ( -4.926 0.000 1.291) 5.092 21.443 ( 2.647 0.000 -0.123) 2.650 21.443 ( 2.647 0.000 0.123) 2.650 22.132 ( -7.619 0.000 -0.844) 7.665 22.132 ( -7.619 0.000 0.844) 7.665 22.223 ( -1.909 0.000 -2.173) 2.892 22.223 ( -1.909 0.000 2.173) 2.892 22.636 ( -4.052 0.000 -6.839) 7.949 22.636 ( -4.052 0.000 6.839) 7.949 25.281 ( -0.279 0.000 -6.147) 6.153 25.281 ( -0.279 0.000 6.147) 6.153 25.466 ( -3.551 0.000 -3.149) 4.746 25.466 ( -3.551 0.000 3.149) 4.746 29.024 ( 0.458 0.000 -2.123) 2.172 29.024 ( 0.458 0.000 2.123) 2.172 29.182 ( -2.089 0.000 -0.509) 2.151 29.182 ( -2.089 0.000 0.509) 2.151 29.743 ( 5.714 0.000 -5.094) 7.655 29.743 ( 5.714 0.000 5.094) 7.655 29.764 ( 6.669 0.000 -6.419) 9.257 29.764 ( 6.669 0.000 6.419) 9.257 34.424 ( -0.850 0.000 -1.976) 2.151 34.424 ( -0.850 0.000 1.976) 2.151 34.476 ( -1.529 0.000 -0.208) 1.543 34.476 ( -1.529 0.000 0.208) 1.543 97.805 ( -0.360 0.000 -4.459) 4.473 97.805 ( -0.360 0.000 4.459) 4.473 97.876 ( -1.910 0.000 -1.871) 2.674 97.876 ( -1.910 0.000 1.871) 2.674 100.000 ( 0.483 0.000 -4.699) 4.724 100.000 ( 0.483 0.000 4.699) 4.724 100.295 ( -2.049 0.000 -1.763) 2.703 100.295 ( -2.049 0.000 1.763) 2.703 ======================= Grid point 169 (57/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 23.008 0.000 -9.540) 24.908 2.929 ( 23.008 0.000 9.540) 24.908 2.989 ( 23.179 0.000 -4.388) 23.591 2.989 ( 23.179 0.000 4.388) 23.591 4.062 ( 12.934 0.000 -4.083) 13.563 4.062 ( 12.934 0.000 4.083) 13.563 4.223 ( 10.161 0.000 -7.515) 12.638 4.223 ( 10.161 0.000 7.515) 12.638 4.432 ( 13.308 0.000 -4.038) 13.907 4.432 ( 13.308 0.000 4.038) 13.907 4.596 ( 12.518 0.000 -13.952) 18.745 4.596 ( 12.518 0.000 13.952) 18.745 5.033 ( 24.894 0.000 -37.948) 45.385 5.033 ( 24.894 0.000 37.948) 45.385 5.207 ( 4.094 0.000 -3.253) 5.229 5.207 ( 4.094 0.000 3.253) 5.229 5.717 ( -0.002 0.000 -3.409) 3.409 5.717 ( -0.002 0.000 3.409) 3.409 5.816 ( -0.043 0.000 -3.905) 3.906 5.816 ( -0.043 0.000 3.905) 3.906 6.055 ( 0.148 0.000 -4.815) 4.817 6.055 ( 0.148 0.000 4.815) 4.817 6.108 ( 5.143 0.000 -3.097) 6.003 6.108 ( 5.143 0.000 3.097) 6.003 6.136 ( -3.221 0.000 -0.111) 3.223 6.136 ( -3.221 0.000 0.111) 3.223 6.359 ( 0.963 0.000 -1.828) 2.066 6.359 ( 0.963 0.000 1.828) 2.066 6.568 ( -3.826 0.000 -7.360) 8.295 6.568 ( -3.826 0.000 7.360) 8.295 6.712 ( -4.128 0.000 -5.442) 6.830 6.712 ( -4.128 0.000 5.442) 6.830 6.801 ( -8.601 0.000 -1.260) 8.693 6.801 ( -8.601 0.000 1.260) 8.693 6.954 ( 3.347 0.000 -0.042) 3.347 6.954 ( 3.347 0.000 0.042) 3.347 6.965 ( -9.034 0.000 -13.432) 16.187 6.965 ( -9.034 0.000 13.432) 16.187 7.243 ( -17.382 0.000 -7.202) 18.815 7.243 ( -17.382 0.000 7.202) 18.815 7.310 ( -6.017 0.000 -1.927) 6.318 7.310 ( -6.017 0.000 1.927) 6.318 7.482 ( -14.062 0.000 -0.111) 14.063 7.482 ( -14.062 0.000 0.111) 14.063 7.562 ( -5.323 0.000 -7.290) 9.027 7.562 ( -5.323 0.000 7.290) 9.027 7.676 ( -2.657 0.000 -0.705) 2.749 7.676 ( -2.657 0.000 0.705) 2.749 7.829 ( -2.008 0.000 -12.516) 12.676 7.829 ( -2.008 0.000 12.516) 12.676 8.127 ( -2.517 0.000 -15.728) 15.928 8.127 ( -2.517 0.000 15.728) 15.928 8.333 ( 3.023 0.000 -4.197) 5.173 8.333 ( 3.023 0.000 4.197) 5.173 8.535 ( -3.041 0.000 -5.627) 6.396 8.535 ( -3.041 0.000 5.627) 6.396 8.653 ( -8.624 0.000 -6.743) 10.947 8.653 ( -8.624 0.000 6.743) 10.947 8.751 ( 4.881 0.000 -3.147) 5.807 8.751 ( 4.881 0.000 3.147) 5.807 9.104 ( -3.270 0.000 -0.511) 3.310 9.104 ( -3.270 0.000 0.511) 3.310 9.227 ( 6.809 0.000 -3.567) 7.687 9.227 ( 6.809 0.000 3.567) 7.687 9.417 ( 2.691 0.000 -4.202) 4.990 9.417 ( 2.691 0.000 4.202) 4.990 9.711 ( -0.646 0.000 -0.000) 0.646 9.711 ( -0.646 0.000 0.000) 0.646 9.773 ( -0.281 0.000 -0.100) 0.299 9.773 ( -0.281 0.000 0.100) 0.299 9.899 ( -1.078 0.000 -5.444) 5.549 9.899 ( -1.078 0.000 5.444) 5.549 9.935 ( -0.500 0.000 -7.095) 7.112 9.935 ( -0.500 0.000 7.095) 7.112 10.067 ( -1.489 0.000 -1.016) 1.803 10.067 ( -1.489 0.000 1.016) 1.803 10.213 ( -7.375 0.000 -0.091) 7.375 10.213 ( -7.375 0.000 0.091) 7.375 10.331 ( -3.034 0.000 -1.747) 3.501 10.331 ( -3.034 0.000 1.747) 3.501 10.491 ( -3.507 0.000 -1.693) 3.895 10.491 ( -3.507 0.000 1.693) 3.895 10.883 ( 3.170 0.000 -7.151) 7.822 10.883 ( 3.170 0.000 7.151) 7.822 11.020 ( 1.790 0.000 -0.964) 2.033 11.020 ( 1.790 0.000 0.964) 2.033 11.072 ( 2.375 0.000 -0.946) 2.556 11.072 ( 2.375 0.000 0.946) 2.556 11.333 ( -2.052 0.000 -7.147) 7.436 11.333 ( -2.052 0.000 7.147) 7.436 11.375 ( -1.625 0.000 -0.997) 1.906 11.375 ( -1.625 0.000 0.997) 1.906 11.504 ( 4.321 0.000 -1.561) 4.594 11.504 ( 4.321 0.000 1.561) 4.594 11.592 ( 5.785 0.000 -1.814) 6.063 11.592 ( 5.785 0.000 1.814) 6.063 11.735 ( 0.809 0.000 -5.813) 5.869 11.735 ( 0.809 0.000 5.813) 5.869 11.834 ( -1.603 0.000 -1.793) 2.406 11.834 ( -1.603 0.000 1.793) 2.406 11.967 ( -0.887 0.000 -3.551) 3.660 11.967 ( -0.887 0.000 3.551) 3.660 12.035 ( -2.253 0.000 -3.839) 4.451 12.035 ( -2.253 0.000 3.839) 4.451 12.221 ( -0.217 0.000 -1.441) 1.457 12.221 ( -0.217 0.000 1.441) 1.457 12.308 ( 12.259 0.000 -0.635) 12.275 12.308 ( 12.259 0.000 0.635) 12.275 12.410 ( -4.395 0.000 -0.215) 4.401 12.410 ( -4.395 0.000 0.215) 4.401 12.541 ( -2.517 0.000 -8.203) 8.581 12.541 ( -2.517 0.000 8.203) 8.581 12.795 ( -1.926 0.000 -4.726) 5.103 12.795 ( -1.926 0.000 4.726) 5.103 12.798 ( -10.211 0.000 -0.694) 10.234 12.798 ( -10.211 0.000 0.694) 10.234 12.926 ( -2.248 0.000 -0.318) 2.270 12.926 ( -2.248 0.000 0.318) 2.270 13.060 ( 1.737 0.000 -1.777) 2.485 13.060 ( 1.737 0.000 1.777) 2.485 13.178 ( 1.460 0.000 -3.401) 3.701 13.178 ( 1.460 0.000 3.401) 3.701 13.232 ( -8.534 0.000 -3.562) 9.247 13.232 ( -8.534 0.000 3.562) 9.247 13.324 ( -10.354 0.000 -2.000) 10.545 13.324 ( -10.354 0.000 2.000) 10.545 13.485 ( -1.519 0.000 -3.076) 3.431 13.485 ( -1.519 0.000 3.076) 3.431 13.628 ( 7.975 0.000 -4.796) 9.306 13.628 ( 7.975 0.000 4.796) 9.306 13.865 ( 6.862 0.000 -8.254) 10.734 13.865 ( 6.862 0.000 8.254) 10.734 14.096 ( 7.454 0.000 -3.870) 8.399 14.096 ( 7.454 0.000 3.870) 8.399 14.222 ( -2.633 0.000 -0.514) 2.683 14.222 ( -2.633 0.000 0.514) 2.683 14.336 ( -3.361 0.000 -0.014) 3.361 14.336 ( -3.361 0.000 0.014) 3.361 14.428 ( 3.621 0.000 -0.000) 3.621 14.428 ( 3.621 0.000 0.000) 3.621 14.900 ( 7.096 0.000 -2.788) 7.624 14.900 ( 7.096 0.000 2.788) 7.624 15.082 ( 1.751 0.000 -6.018) 6.268 15.082 ( 1.751 0.000 6.018) 6.268 15.109 ( -4.693 0.000 -0.035) 4.693 15.109 ( -4.693 0.000 0.035) 4.693 15.549 ( -1.503 0.000 -6.529) 6.700 15.549 ( -1.503 0.000 6.529) 6.700 15.760 ( 6.992 0.000 -1.355) 7.122 15.760 ( 6.992 0.000 1.355) 7.122 16.057 ( 1.179 0.000 -2.882) 3.114 16.057 ( 1.179 0.000 2.882) 3.114 16.106 ( -2.571 0.000 -6.272) 6.778 16.106 ( -2.571 0.000 6.272) 6.778 16.194 ( -3.571 0.000 -0.806) 3.661 16.194 ( -3.571 0.000 0.806) 3.661 16.599 ( 3.635 0.000 -2.247) 4.273 16.599 ( 3.635 0.000 2.247) 4.273 16.923 ( 6.490 0.000 -10.785) 12.587 16.923 ( 6.490 0.000 10.785) 12.587 17.114 ( -3.063 0.000 -1.278) 3.319 17.114 ( -3.063 0.000 1.278) 3.319 17.326 ( 2.821 0.000 -6.619) 7.195 17.326 ( 2.821 0.000 6.619) 7.195 17.623 ( 0.578 0.000 -7.076) 7.100 17.623 ( 0.578 0.000 7.076) 7.100 17.984 ( -12.426 0.000 -8.826) 15.242 17.984 ( -12.426 0.000 8.826) 15.242 18.480 ( 0.726 0.000 -0.222) 0.759 18.480 ( 0.726 0.000 0.222) 0.759 19.725 ( 0.702 0.000 -5.781) 5.823 19.725 ( 0.702 0.000 5.781) 5.823 20.534 ( 4.486 0.000 -0.003) 4.486 20.534 ( 4.486 0.000 0.003) 4.486 20.720 ( 9.436 0.000 -2.641) 9.799 20.720 ( 9.436 0.000 2.641) 9.799 21.077 ( -5.401 0.000 -0.890) 5.474 21.077 ( -5.401 0.000 0.890) 5.474 21.500 ( 3.331 0.000 -0.016) 3.331 21.500 ( 3.331 0.000 0.016) 3.331 21.933 ( -12.354 0.000 -0.390) 12.360 21.933 ( -12.354 0.000 0.390) 12.360 22.174 ( -2.936 0.000 -1.789) 3.438 22.174 ( -2.936 0.000 1.789) 3.438 22.539 ( -5.477 0.000 -5.354) 7.659 22.539 ( -5.477 0.000 5.354) 7.659 25.274 ( -0.392 0.000 -5.373) 5.387 25.274 ( -0.392 0.000 5.373) 5.387 25.390 ( -3.776 0.000 -4.781) 6.093 25.390 ( -3.776 0.000 4.781) 6.093 29.034 ( 0.555 0.000 -1.972) 2.048 29.034 ( 0.555 0.000 1.972) 2.048 29.135 ( -2.485 0.000 -1.494) 2.899 29.135 ( -2.485 0.000 1.494) 2.899 29.870 ( 7.368 0.000 -5.082) 8.951 29.870 ( 7.368 0.000 5.082) 8.951 29.932 ( 9.514 0.000 -7.608) 12.182 29.932 ( 9.514 0.000 7.608) 12.182 34.402 ( -1.438 0.000 -2.002) 2.465 34.402 ( -1.438 0.000 2.002) 2.465 34.437 ( -2.339 0.000 -0.289) 2.357 34.437 ( -2.339 0.000 0.289) 2.357 97.796 ( -0.476 0.000 -3.833) 3.863 97.796 ( -0.476 0.000 3.833) 3.863 97.836 ( -1.943 0.000 -2.585) 3.233 97.836 ( -1.943 0.000 2.585) 3.233 100.009 ( 0.381 0.000 -4.434) 4.451 100.009 ( 0.381 0.000 4.434) 4.451 100.242 ( -3.331 0.000 -0.372) 3.351 100.242 ( -3.331 0.000 0.372) 3.351 ======================= Grid point 171 (58/72) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.433 ( 27.474 0.000 -24.563) 36.853 3.433 ( 27.474 0.000 24.563) 36.853 3.530 ( 32.047 0.000 -15.942) 35.794 3.530 ( 32.047 0.000 15.942) 35.794 4.302 ( 11.597 0.000 -1.606) 11.708 4.302 ( 11.597 0.000 1.606) 11.708 4.450 ( 13.355 0.000 -3.128) 13.717 4.450 ( 13.355 0.000 3.128) 13.717 4.727 ( 16.217 0.000 -2.192) 16.364 4.727 ( 16.217 0.000 2.192) 16.364 4.835 ( 12.011 0.000 -11.647) 16.731 4.835 ( 12.011 0.000 11.647) 16.731 5.231 ( 0.235 0.000 -4.022) 4.029 5.231 ( 0.235 0.000 4.022) 4.029 5.467 ( 13.015 0.000 -13.755) 18.937 5.467 ( 13.015 0.000 13.755) 18.937 5.622 ( -9.562 0.000 -1.706) 9.713 5.622 ( -9.562 0.000 1.706) 9.713 5.753 ( -10.049 0.000 -0.945) 10.093 5.753 ( -10.049 0.000 0.945) 10.093 5.975 ( -4.941 0.000 -0.201) 4.945 5.975 ( -4.941 0.000 0.201) 4.945 6.076 ( -6.298 0.000 -1.344) 6.440 6.076 ( -6.298 0.000 1.344) 6.440 6.114 ( -0.634 0.000 -5.554) 5.590 6.114 ( -0.634 0.000 5.554) 5.590 6.317 ( -2.009 0.000 -1.786) 2.688 6.317 ( -2.009 0.000 1.786) 2.688 6.558 ( -11.465 0.000 -2.321) 11.698 6.558 ( -11.465 0.000 2.321) 11.698 6.595 ( 3.323 0.000 -9.142) 9.727 6.595 ( 3.323 0.000 9.142) 9.727 6.690 ( -8.444 0.000 -2.955) 8.946 6.690 ( -8.444 0.000 2.955) 8.946 6.779 ( -4.766 0.000 -10.046) 11.119 6.779 ( -4.766 0.000 10.046) 11.119 6.924 ( -6.833 0.000 -1.796) 7.065 6.924 ( -6.833 0.000 1.796) 7.065 7.062 ( -1.339 0.000 -8.779) 8.880 7.062 ( -1.339 0.000 8.779) 8.880 7.206 ( -3.440 0.000 -8.676) 9.333 7.206 ( -3.440 0.000 8.676) 9.333 7.287 ( -1.146 0.000 -9.205) 9.276 7.287 ( -1.146 0.000 9.205) 9.276 7.454 ( -2.199 0.000 -0.195) 2.207 7.454 ( -2.199 0.000 0.195) 2.207 7.723 ( -2.236 0.000 -4.813) 5.307 7.723 ( -2.236 0.000 4.813) 5.307 7.855 ( 6.547 0.000 -13.454) 14.963 7.855 ( 6.547 0.000 13.454) 14.963 8.065 ( -3.812 0.000 -5.669) 6.832 8.065 ( -3.812 0.000 5.669) 6.832 8.338 ( -3.815 0.000 -11.015) 11.657 8.338 ( -3.815 0.000 11.015) 11.657 8.513 ( 3.660 0.000 -1.658) 4.018 8.513 ( 3.660 0.000 1.658) 4.018 8.523 ( -1.538 0.000 -0.811) 1.739 8.523 ( -1.538 0.000 0.811) 1.739 8.866 ( 4.954 0.000 -0.509) 4.980 8.866 ( 4.954 0.000 0.509) 4.980 9.060 ( -1.984 0.000 -0.063) 1.985 9.060 ( -1.984 0.000 0.063) 1.985 9.204 ( -5.375 0.000 -0.643) 5.414 9.204 ( -5.375 0.000 0.643) 5.414 9.523 ( 4.554 0.000 -2.586) 5.237 9.523 ( 4.554 0.000 2.586) 5.237 9.715 ( 1.409 0.000 -0.697) 1.572 9.715 ( 1.409 0.000 0.697) 1.572 9.727 ( -4.700 0.000 -0.307) 4.710 9.727 ( -4.700 0.000 0.307) 4.710 9.839 ( -1.224 0.000 -2.029) 2.369 9.839 ( -1.224 0.000 2.029) 2.369 9.958 ( 2.848 0.000 -0.787) 2.955 9.958 ( 2.848 0.000 0.787) 2.955 10.030 ( -5.572 0.000 -1.533) 5.779 10.030 ( -5.572 0.000 1.533) 5.779 10.168 ( 2.161 0.000 -1.489) 2.625 10.168 ( 2.161 0.000 1.489) 2.625 10.258 ( -4.243 0.000 -0.144) 4.246 10.258 ( -4.243 0.000 0.144) 4.246 10.415 ( -3.038 0.000 -0.224) 3.046 10.415 ( -3.038 0.000 0.224) 3.046 10.876 ( -5.271 0.000 -0.923) 5.351 10.876 ( -5.271 0.000 0.923) 5.351 11.033 ( -2.846 0.000 -3.841) 4.781 11.033 ( -2.846 0.000 3.841) 4.781 11.084 ( -2.120 0.000 -4.064) 4.583 11.084 ( -2.120 0.000 4.064) 4.583 11.246 ( -0.877 0.000 -2.315) 2.475 11.246 ( -0.877 0.000 2.315) 2.475 11.318 ( -2.398 0.000 -4.987) 5.534 11.318 ( -2.398 0.000 4.987) 5.534 11.554 ( -8.534 0.000 -4.974) 9.878 11.554 ( -8.534 0.000 4.974) 9.878 11.631 ( 6.101 0.000 -0.910) 6.169 11.631 ( 6.101 0.000 0.910) 6.169 11.769 ( 3.228 0.000 -4.559) 5.586 11.769 ( 3.228 0.000 4.559) 5.586 11.827 ( 0.560 0.000 -0.222) 0.602 11.827 ( 0.560 0.000 0.222) 0.602 11.984 ( -0.711 0.000 -1.047) 1.265 11.984 ( -0.711 0.000 1.047) 1.265 12.002 ( 1.788 0.000 -7.488) 7.699 12.002 ( 1.788 0.000 7.488) 7.699 12.114 ( -7.066 0.000 -3.004) 7.678 12.114 ( -7.066 0.000 3.004) 7.678 12.401 ( 0.480 0.000 -2.387) 2.435 12.401 ( 0.480 0.000 2.387) 2.435 12.445 ( -5.689 0.000 -4.364) 7.170 12.445 ( -5.689 0.000 4.364) 7.170 12.489 ( -2.208 0.000 -5.047) 5.509 12.489 ( -2.208 0.000 5.047) 5.509 12.695 ( -1.100 0.000 -4.985) 5.105 12.695 ( -1.100 0.000 4.985) 5.105 12.779 ( 1.540 0.000 -4.434) 4.694 12.779 ( 1.540 0.000 4.434) 4.694 12.878 ( -1.070 0.000 -0.999) 1.464 12.878 ( -1.070 0.000 0.999) 1.464 13.049 ( -6.603 0.000 -0.481) 6.621 13.049 ( -6.603 0.000 0.481) 6.621 13.120 ( 0.244 0.000 -1.753) 1.770 13.120 ( 0.244 0.000 1.753) 1.770 13.125 ( 1.639 0.000 -0.723) 1.792 13.125 ( 1.639 0.000 0.723) 1.792 13.295 ( 4.892 0.000 -4.027) 6.336 13.295 ( 4.892 0.000 4.027) 6.336 13.532 ( 3.528 0.000 -0.007) 3.528 13.532 ( 3.528 0.000 0.007) 3.528 13.689 ( 0.345 0.000 -2.071) 2.100 13.689 ( 0.345 0.000 2.071) 2.100 14.058 ( 7.426 0.000 -9.750) 12.256 14.058 ( 7.426 0.000 9.750) 12.256 14.158 ( -1.611 0.000 -0.024) 1.612 14.158 ( -1.611 0.000 0.024) 1.612 14.206 ( 5.241 0.000 -4.129) 6.672 14.206 ( 5.241 0.000 4.129) 6.672 14.273 ( -0.839 0.000 -3.850) 3.940 14.273 ( -0.839 0.000 3.850) 3.940 14.560 ( 6.769 0.000 -0.011) 6.769 14.560 ( 6.769 0.000 0.011) 6.769 14.941 ( -5.142 0.000 -1.246) 5.290 14.941 ( -5.142 0.000 1.246) 5.290 15.023 ( 1.448 0.000 -0.997) 1.758 15.023 ( 1.448 0.000 0.997) 1.758 15.165 ( 3.817 0.000 -0.412) 3.839 15.165 ( 3.817 0.000 0.412) 3.839 15.478 ( -6.362 0.000 -3.988) 7.509 15.478 ( -6.362 0.000 3.988) 7.509 15.794 ( -2.013 0.000 -0.183) 2.021 15.794 ( -2.013 0.000 0.183) 2.021 16.032 ( -3.106 0.000 -1.755) 3.567 16.032 ( -3.106 0.000 1.755) 3.567 16.162 ( -0.742 0.000 -1.944) 2.081 16.162 ( -0.742 0.000 1.944) 2.081 16.169 ( 8.818 0.000 -3.412) 9.455 16.169 ( 8.818 0.000 3.412) 9.455 16.645 ( 1.390 0.000 -1.988) 2.426 16.645 ( 1.390 0.000 1.988) 2.426 17.036 ( 2.770 0.000 -13.663) 13.941 17.036 ( 2.770 0.000 13.663) 13.941 17.056 ( -0.945 0.000 -2.246) 2.437 17.056 ( -0.945 0.000 2.246) 2.437 17.386 ( 2.549 0.000 -6.051) 6.566 17.386 ( 2.549 0.000 6.051) 6.566 17.636 ( 0.530 0.000 -6.715) 6.736 17.636 ( 0.530 0.000 6.715) 6.736 17.809 ( -5.428 0.000 -6.402) 8.393 17.809 ( -5.428 0.000 6.402) 8.393 18.496 ( 0.949 0.000 -0.002) 0.949 18.496 ( 0.949 0.000 0.002) 0.949 19.726 ( -0.195 0.000 -3.903) 3.908 19.726 ( -0.195 0.000 3.903) 3.908 20.626 ( 5.080 0.000 -0.249) 5.086 20.626 ( 5.080 0.000 0.249) 5.086 20.848 ( 3.056 0.000 -3.343) 4.529 20.848 ( 3.056 0.000 3.343) 4.529 20.994 ( -2.508 0.000 -0.459) 2.549 20.994 ( -2.508 0.000 0.459) 2.549 21.566 ( 2.330 0.000 -2.772) 3.621 21.566 ( 2.330 0.000 2.772) 3.621 21.686 ( -11.545 0.000 -0.946) 11.584 21.686 ( -11.545 0.000 0.946) 11.584 22.117 ( -2.760 0.000 -1.230) 3.021 22.117 ( -2.760 0.000 1.230) 3.021 22.439 ( -4.667 0.000 -3.607) 5.899 22.439 ( -4.667 0.000 3.607) 5.899 25.267 ( -0.332 0.000 -3.997) 4.011 25.267 ( -0.332 0.000 3.997) 4.011 25.330 ( -2.459 0.000 -4.409) 5.049 25.330 ( -2.459 0.000 4.409) 5.049 29.045 ( 0.477 0.000 -1.514) 1.587 29.045 ( 0.477 0.000 1.514) 1.587 29.092 ( -1.876 0.000 -1.415) 2.350 29.092 ( -1.876 0.000 1.415) 2.350 30.010 ( 6.647 0.000 -4.211) 7.869 30.010 ( 6.647 0.000 4.211) 7.869 30.104 ( 7.808 0.000 -6.125) 9.924 30.104 ( 7.808 0.000 6.125) 9.924 34.372 ( -1.493 0.000 -1.849) 2.377 34.372 ( -1.493 0.000 1.849) 2.377 34.392 ( -2.207 0.000 -0.117) 2.211 34.392 ( -2.207 0.000 0.117) 2.211 97.788 ( -0.365 0.000 -2.814) 2.838 97.788 ( -0.365 0.000 2.814) 2.838 97.806 ( -1.155 0.000 -2.258) 2.536 97.806 ( -1.155 0.000 2.258) 2.536 100.016 ( 0.437 0.000 -3.553) 3.580 100.016 ( 0.437 0.000 3.553) 3.580 100.173 ( -3.570 0.000 -0.031) 3.570 100.173 ( -3.570 0.000 0.031) 3.570 ======================= Grid point 173 (59/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.941 ( 23.204 0.000 -17.358) 28.978 3.941 ( 23.204 0.000 17.358) 28.978 4.159 ( 31.134 0.000 -11.515) 33.195 4.159 ( 31.134 0.000 11.515) 33.195 4.509 ( 9.397 0.000 -2.461) 9.714 4.509 ( 9.397 0.000 2.461) 9.714 4.712 ( 13.195 0.000 -4.393) 13.907 4.712 ( 13.195 0.000 4.393) 13.907 4.987 ( 8.456 0.000 -5.765) 10.234 4.987 ( 8.456 0.000 5.765) 10.234 5.037 ( 6.092 0.000 -7.344) 9.542 5.037 ( 6.092 0.000 7.344) 9.542 5.215 ( -1.419 0.000 -3.547) 3.821 5.215 ( -1.419 0.000 3.547) 3.821 5.342 ( -13.095 0.000 -0.197) 13.096 5.342 ( -13.095 0.000 0.197) 13.096 5.478 ( -10.817 0.000 -4.777) 11.825 5.478 ( -10.817 0.000 4.777) 11.825 5.632 ( 0.845 0.000 -0.171) 0.862 5.632 ( 0.845 0.000 0.171) 0.862 5.762 ( -15.555 0.000 -2.708) 15.789 5.762 ( -15.555 0.000 2.708) 15.789 5.902 ( -9.032 0.000 -4.389) 10.042 5.902 ( -9.032 0.000 4.389) 10.042 6.147 ( -3.441 0.000 -7.995) 8.704 6.147 ( -3.441 0.000 7.995) 8.704 6.287 ( -1.864 0.000 -4.105) 4.508 6.287 ( -1.864 0.000 4.105) 4.508 6.349 ( -5.656 0.000 -9.912) 11.412 6.349 ( -5.656 0.000 9.912) 11.412 6.471 ( -5.915 0.000 -0.005) 5.915 6.471 ( -5.915 0.000 0.005) 5.915 6.610 ( -8.415 0.000 -5.491) 10.048 6.610 ( -8.415 0.000 5.491) 10.048 6.804 ( 7.230 0.000 -0.617) 7.256 6.804 ( 7.230 0.000 0.617) 7.256 6.886 ( 3.002 0.000 -5.733) 6.471 6.886 ( 3.002 0.000 5.733) 6.471 7.072 ( 0.111 0.000 -5.342) 5.343 7.072 ( 0.111 0.000 5.342) 5.343 7.132 ( -1.731 0.000 -4.931) 5.226 7.132 ( -1.731 0.000 4.931) 5.226 7.431 ( 9.004 0.000 -6.434) 11.067 7.431 ( 9.004 0.000 6.434) 11.067 7.461 ( 1.112 0.000 -0.991) 1.490 7.461 ( 1.112 0.000 0.991) 1.490 7.594 ( -7.632 0.000 -3.326) 8.326 7.594 ( -7.632 0.000 3.326) 8.326 7.911 ( 1.353 0.000 -2.343) 2.705 7.911 ( 1.353 0.000 2.343) 2.705 8.102 ( 5.479 0.000 -6.624) 8.596 8.102 ( 5.479 0.000 6.624) 8.596 8.270 ( -2.283 0.000 -1.764) 2.885 8.270 ( -2.283 0.000 1.764) 2.885 8.536 ( 1.807 0.000 -11.434) 11.576 8.536 ( 1.807 0.000 11.434) 11.576 8.637 ( 5.326 0.000 -8.163) 9.747 8.637 ( 5.326 0.000 8.163) 9.747 8.933 ( 3.190 0.000 -4.538) 5.547 8.933 ( 3.190 0.000 4.538) 5.547 9.003 ( -3.643 0.000 -0.055) 3.643 9.003 ( -3.643 0.000 0.055) 3.643 9.135 ( -1.784 0.000 -0.127) 1.789 9.135 ( -1.784 0.000 0.127) 1.789 9.516 ( -3.066 0.000 -0.187) 3.071 9.516 ( -3.066 0.000 0.187) 3.071 9.648 ( -2.296 0.000 -2.646) 3.503 9.648 ( -2.296 0.000 2.646) 3.503 9.755 ( 0.417 0.000 -3.764) 3.788 9.755 ( 0.417 0.000 3.764) 3.788 9.849 ( 0.907 0.000 -2.831) 2.973 9.849 ( 0.908 0.000 2.831) 2.973 9.923 ( -1.740 0.000 -2.229) 2.828 9.923 ( -1.740 0.000 2.229) 2.828 10.032 ( 2.372 0.000 -0.002) 2.372 10.032 ( 2.372 0.000 0.002) 2.372 10.160 ( -1.478 0.000 -0.190) 1.490 10.160 ( -1.478 0.000 0.190) 1.490 10.256 ( 3.293 0.000 -3.571) 4.857 10.256 ( 3.293 0.000 3.571) 4.857 10.379 ( -1.425 0.000 -0.002) 1.425 10.379 ( -1.425 0.000 0.002) 1.425 10.642 ( -15.269 0.000 -0.022) 15.269 10.642 ( -15.269 0.000 0.022) 15.269 10.969 ( -1.697 0.000 -0.696) 1.835 10.969 ( -1.697 0.000 0.696) 1.835 11.061 ( -1.497 0.000 -1.404) 2.052 11.061 ( -1.497 0.000 1.404) 2.052 11.243 ( 3.672 0.000 -3.279) 4.923 11.243 ( 3.672 0.000 3.279) 4.923 11.347 ( 1.097 0.000 -0.056) 1.099 11.347 ( 1.097 0.000 0.056) 1.099 11.354 ( -11.380 0.000 -3.940) 12.043 11.354 ( -11.380 0.000 3.940) 12.043 11.713 ( 3.100 0.000 -3.590) 4.743 11.713 ( 3.100 0.000 3.590) 4.743 11.800 ( -1.501 0.000 -1.415) 2.063 11.800 ( -1.501 0.000 1.415) 2.063 11.831 ( 0.930 0.000 -5.245) 5.327 11.831 ( 0.930 0.000 5.245) 5.327 11.956 ( -4.204 0.000 -0.591) 4.245 11.956 ( -4.204 0.000 0.591) 4.245 11.982 ( -3.142 0.000 -0.124) 3.144 11.982 ( -3.142 0.000 0.124) 3.144 12.048 ( 0.813 0.000 -0.808) 1.146 12.048 ( 0.813 0.000 0.808) 1.146 12.330 ( -2.653 0.000 -1.035) 2.847 12.330 ( -2.653 0.000 1.035) 2.847 12.426 ( 2.762 0.000 -3.862) 4.748 12.426 ( 2.762 0.000 3.862) 4.748 12.475 ( 0.289 0.000 -4.713) 4.722 12.475 ( 0.289 0.000 4.713) 4.722 12.656 ( -2.272 0.000 -4.240) 4.810 12.656 ( -2.272 0.000 4.240) 4.810 12.762 ( -2.239 0.000 -1.628) 2.768 12.762 ( -2.239 0.000 1.628) 2.768 12.862 ( -0.816 0.000 -1.375) 1.599 12.862 ( -0.816 0.000 1.375) 1.599 12.956 ( -3.478 0.000 -1.053) 3.634 12.956 ( -3.478 0.000 1.053) 3.634 13.057 ( -3.976 0.000 -2.018) 4.459 13.057 ( -3.976 0.000 2.018) 4.459 13.299 ( 10.198 0.000 -0.676) 10.220 13.299 ( 10.198 0.000 0.676) 10.220 13.447 ( 8.127 0.000 -0.211) 8.130 13.447 ( 8.127 0.000 0.211) 8.130 13.582 ( 1.649 0.000 -3.596) 3.956 13.582 ( 1.649 0.000 3.596) 3.956 13.685 ( -0.406 0.000 -0.370) 0.549 13.685 ( -0.406 0.000 0.370) 0.549 14.058 ( -1.757 0.000 -4.209) 4.561 14.058 ( -1.757 0.000 4.209) 4.561 14.144 ( -2.418 0.000 -2.001) 3.139 14.144 ( -2.418 0.000 2.001) 3.139 14.263 ( 4.619 0.000 -0.043) 4.619 14.263 ( 4.619 0.000 0.043) 4.619 14.464 ( 13.857 0.000 -0.447) 13.864 14.464 ( 13.857 0.000 0.447) 13.864 14.578 ( -5.308 0.000 -0.001) 5.308 14.578 ( -5.308 0.000 0.001) 5.308 14.876 ( -1.262 0.000 -0.502) 1.359 14.876 ( -1.262 0.000 0.502) 1.359 15.058 ( 2.049 0.000 -3.832) 4.345 15.058 ( 2.049 0.000 3.832) 4.345 15.210 ( 0.369 0.000 -1.780) 1.818 15.210 ( 0.369 0.000 1.780) 1.818 15.317 ( -8.683 0.000 -2.711) 9.097 15.317 ( -8.683 0.000 2.711) 9.097 15.759 ( -1.332 0.000 -0.311) 1.368 15.759 ( -1.332 0.000 0.311) 1.368 15.991 ( -0.866 0.000 -1.510) 1.740 15.991 ( -0.866 0.000 1.510) 1.740 16.143 ( -0.994 0.000 -2.593) 2.777 16.143 ( -0.994 0.000 2.593) 2.777 16.339 ( 7.114 0.000 -1.864) 7.355 16.339 ( 7.114 0.000 1.864) 7.355 16.664 ( 0.666 0.000 -1.348) 1.503 16.664 ( 0.666 0.000 1.348) 1.503 16.990 ( -2.412 0.000 -3.142) 3.961 16.990 ( -2.412 0.000 3.142) 3.961 17.121 ( 2.898 0.000 -4.394) 5.263 17.121 ( 2.898 0.000 4.394) 5.263 17.398 ( -1.022 0.000 -3.413) 3.563 17.398 ( -1.022 0.000 3.413) 3.563 17.638 ( -0.306 0.000 -3.029) 3.044 17.638 ( -0.306 0.000 3.029) 3.044 17.770 ( 0.447 0.000 -3.807) 3.833 17.770 ( 0.447 0.000 3.807) 3.833 18.513 ( 0.718 0.000 -0.000) 0.718 18.513 ( 0.718 0.000 0.000) 0.718 19.724 ( 0.045 0.000 -1.948) 1.949 19.724 ( 0.045 0.000 1.948) 1.949 20.723 ( 4.490 0.000 -0.134) 4.492 20.723 ( 4.490 0.000 0.134) 4.492 20.850 ( -1.361 0.000 -0.039) 1.362 20.850 ( -1.361 0.000 0.039) 1.362 20.987 ( 0.976 0.000 -1.217) 1.561 20.987 ( 0.976 0.000 1.217) 1.561 21.434 ( -9.719 0.000 -3.857) 10.456 21.434 ( -9.719 0.000 3.857) 10.456 21.657 ( 2.569 0.000 -2.215) 3.392 21.657 ( 2.569 0.000 2.215) 3.392 22.074 ( -1.625 0.000 -0.598) 1.731 22.074 ( -1.625 0.000 0.598) 1.731 22.367 ( -2.655 0.000 -1.854) 3.238 22.367 ( -2.655 0.000 1.854) 3.238 25.262 ( -0.166 0.000 -2.117) 2.124 25.262 ( -0.166 0.000 2.117) 2.124 25.295 ( -1.142 0.000 -2.547) 2.792 25.295 ( -1.142 0.000 2.547) 2.792 29.052 ( 0.282 0.000 -0.817) 0.864 29.052 ( 0.282 0.000 0.817) 0.864 29.065 ( -0.951 0.000 -0.798) 1.241 29.065 ( -0.951 0.000 0.798) 1.241 30.113 ( 3.806 0.000 -2.363) 4.480 30.113 ( 3.806 0.000 2.363) 4.480 30.222 ( 4.276 0.000 -3.287) 5.393 30.222 ( 4.276 0.000 3.287) 5.393 34.347 ( -1.007 0.000 -1.310) 1.652 34.347 ( -1.007 0.000 1.310) 1.652 34.358 ( -1.247 0.000 -0.113) 1.252 34.358 ( -1.247 0.000 0.113) 1.252 97.783 ( -0.173 0.000 -1.503) 1.513 97.783 ( -0.173 0.000 1.503) 1.513 97.790 ( -0.478 0.000 -1.240) 1.329 97.790 ( -0.478 0.000 1.240) 1.329 100.029 ( 0.987 0.000 -2.303) 2.506 100.029 ( 0.987 0.000 2.303) 2.506 100.109 ( -2.945 0.000 -0.029) 2.945 100.109 ( -2.945 0.000 0.029) 2.945 ======================= Grid point 175 (60/72) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.200 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 0.000 0.000) 0.000 4.581 ( -0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.610 ( 0.000 0.000 0.000) 0.000 4.610 ( 0.000 0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 4.913 ( 0.000 0.000 0.000) 0.000 4.931 ( -0.000 0.000 -0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 5.202 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.552 ( 0.000 0.000 0.000) 0.000 5.552 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 -0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.332 ( -0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 6.425 ( 0.000 0.000 0.000) 0.000 6.425 ( 0.000 0.000 0.000) 0.000 6.494 ( 0.000 0.000 0.000) 0.000 6.494 ( 0.000 0.000 0.000) 0.000 6.903 ( -0.000 0.000 -0.000) 0.000 6.903 ( -0.000 0.000 0.000) 0.000 6.906 ( 0.000 0.000 -0.000) 0.000 6.906 ( 0.000 0.000 0.000) 0.000 7.081 ( 0.000 0.000 0.000) 0.000 7.081 ( -0.000 0.000 0.000) 0.000 7.120 ( -0.000 0.000 -0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 0.000) 0.000 7.495 ( 0.000 0.000 -0.000) 0.000 7.495 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 -0.000) 0.000 7.535 ( 0.000 0.000 0.000) 0.000 8.059 ( 0.000 0.000 -0.000) 0.000 8.059 ( 0.000 0.000 -0.000) 0.000 8.066 ( -0.000 0.000 0.000) 0.000 8.066 ( -0.000 0.000 0.000) 0.000 8.255 ( 0.000 0.000 -0.000) 0.000 8.255 ( 0.000 0.000 0.000) 0.000 8.545 ( -0.000 0.000 0.000) 0.000 8.545 ( -0.000 0.000 0.000) 0.000 8.694 ( 0.000 0.000 0.000) 0.000 8.694 ( 0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 8.996 ( 0.000 0.000 0.000) 0.000 8.996 ( 0.000 0.000 0.000) 0.000 9.110 ( 0.000 0.000 0.000) 0.000 9.110 ( 0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 9.636 ( 0.000 0.000 -0.000) 0.000 9.636 ( 0.000 0.000 0.000) 0.000 9.745 ( 0.000 0.000 0.000) 0.000 9.745 ( 0.000 0.000 0.000) 0.000 9.847 ( -0.000 0.000 0.000) 0.000 9.847 ( -0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 10.051 ( 0.000 0.000 -0.000) 0.000 10.051 ( 0.000 0.000 0.000) 0.000 10.197 ( 0.000 0.000 0.000) 0.000 10.197 ( 0.000 0.000 0.000) 0.000 10.252 ( -0.000 0.000 -0.000) 0.000 10.252 ( -0.000 0.000 0.000) 0.000 10.369 ( 0.000 0.000 0.000) 0.000 10.369 ( 0.000 0.000 0.000) 0.000 10.467 ( -0.000 0.000 -0.000) 0.000 10.467 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 11.141 ( 0.000 0.000 -0.000) 0.000 11.141 ( 0.000 0.000 0.000) 0.000 11.148 ( -0.000 0.000 -0.000) 0.000 11.148 ( -0.000 0.000 0.000) 0.000 11.323 ( -0.000 0.000 0.000) 0.000 11.323 ( 0.000 0.000 0.000) 0.000 11.326 ( -0.000 0.000 -0.000) 0.000 11.326 ( 0.000 0.000 -0.000) 0.000 11.760 ( 0.000 0.000 -0.000) 0.000 11.760 ( 0.000 0.000 0.000) 0.000 11.764 ( -0.000 0.000 0.000) 0.000 11.764 ( -0.000 0.000 0.000) 0.000 11.849 ( 0.000 0.000 0.000) 0.000 11.849 ( 0.000 0.000 0.000) 0.000 11.883 ( 0.000 0.000 0.000) 0.000 11.883 ( 0.000 0.000 0.000) 0.000 11.940 ( 0.000 0.000 -0.000) 0.000 11.940 ( 0.000 0.000 0.000) 0.000 12.079 ( 0.000 0.000 0.000) 0.000 12.079 ( 0.000 0.000 0.000) 0.000 12.293 ( 0.000 0.000 0.000) 0.000 12.293 ( 0.000 0.000 0.000) 0.000 12.478 ( 0.000 0.000 -0.000) 0.000 12.478 ( 0.000 0.000 0.000) 0.000 12.505 ( 0.000 0.000 0.000) 0.000 12.505 ( 0.000 0.000 0.000) 0.000 12.618 ( 0.000 0.000 0.000) 0.000 12.618 ( 0.000 0.000 0.000) 0.000 12.729 ( 0.000 0.000 0.000) 0.000 12.729 ( 0.000 0.000 0.000) 0.000 12.859 ( 0.000 0.000 0.000) 0.000 12.859 ( 0.000 0.000 0.000) 0.000 12.906 ( 0.000 0.000 -0.000) 0.000 12.906 ( 0.000 0.000 0.000) 0.000 13.021 ( 0.000 0.000 0.000) 0.000 13.021 ( 0.000 0.000 0.000) 0.000 13.415 ( 0.000 0.000 0.000) 0.000 13.415 ( 0.000 0.000 0.000) 0.000 13.521 ( 0.000 0.000 0.000) 0.000 13.521 ( 0.000 0.000 0.000) 0.000 13.606 ( 0.000 0.000 -0.000) 0.000 13.606 ( 0.000 0.000 0.000) 0.000 13.678 ( -0.000 0.000 0.000) 0.000 13.678 ( 0.000 0.000 0.000) 0.000 14.044 ( 0.000 0.000 0.000) 0.000 14.044 ( 0.000 0.000 0.000) 0.000 14.104 ( 0.000 0.000 -0.000) 0.000 14.104 ( 0.000 0.000 0.000) 0.000 14.402 ( -0.000 0.000 -0.000) 0.000 14.402 ( 0.000 0.000 0.000) 0.000 14.417 ( 0.000 0.000 0.000) 0.000 14.417 ( 0.000 0.000 0.000) 0.000 14.661 ( 0.000 0.000 0.000) 0.000 14.661 ( -0.000 0.000 0.000) 0.000 14.833 ( 0.000 0.000 0.000) 0.000 14.833 ( 0.000 0.000 0.000) 0.000 15.111 ( -0.000 0.000 0.000) 0.000 15.111 ( 0.000 0.000 0.000) 0.000 15.152 ( 0.000 0.000 -0.000) 0.000 15.152 ( 0.000 0.000 -0.000) 0.000 15.248 ( 0.000 0.000 0.000) 0.000 15.248 ( -0.000 0.000 0.000) 0.000 15.745 ( 0.000 0.000 0.000) 0.000 15.745 ( 0.000 0.000 0.000) 0.000 15.987 ( 0.000 0.000 0.000) 0.000 15.987 ( 0.000 0.000 0.000) 0.000 16.132 ( 0.000 0.000 0.000) 0.000 16.132 ( 0.000 0.000 0.000) 0.000 16.411 ( 0.000 0.000 0.000) 0.000 16.411 ( 0.000 0.000 0.000) 0.000 16.671 ( 0.000 0.000 0.000) 0.000 16.671 ( 0.000 0.000 0.000) 0.000 16.965 ( 0.000 0.000 0.000) 0.000 16.965 ( 0.000 0.000 0.000) 0.000 17.150 ( 0.000 0.000 0.000) 0.000 17.150 ( 0.000 0.000 0.000) 0.000 17.381 ( 0.000 0.000 0.000) 0.000 17.381 ( 0.000 0.000 0.000) 0.000 17.633 ( 0.000 0.000 0.000) 0.000 17.633 ( 0.000 0.000 0.000) 0.000 17.782 ( 0.000 0.000 -0.000) 0.000 17.782 ( 0.000 0.000 0.000) 0.000 18.521 ( 0.000 0.000 0.000) 0.000 18.521 ( 0.000 0.000 0.000) 0.000 19.725 ( 0.000 0.000 0.000) 0.000 19.725 ( 0.000 0.000 0.000) 0.000 20.772 ( 0.000 0.000 0.000) 0.000 20.772 ( 0.000 0.000 0.000) 0.000 20.834 ( 0.000 0.000 0.000) 0.000 20.834 ( 0.000 0.000 0.000) 0.000 21.003 ( 0.000 0.000 0.000) 0.000 21.003 ( 0.000 0.000 0.000) 0.000 21.326 ( 0.000 0.000 0.000) 0.000 21.326 ( 0.000 0.000 0.000) 0.000 21.684 ( 0.000 0.000 0.000) 0.000 21.684 ( 0.000 0.000 0.000) 0.000 22.058 ( 0.000 0.000 0.000) 0.000 22.058 ( 0.000 0.000 0.000) 0.000 22.340 ( 0.000 0.000 0.000) 0.000 22.340 ( 0.000 0.000 0.000) 0.000 25.260 ( 0.000 0.000 0.000) 0.000 25.260 ( 0.000 0.000 0.000) 0.000 25.284 ( 0.000 0.000 0.000) 0.000 25.284 ( 0.000 0.000 0.000) 0.000 29.055 ( -0.000 0.000 0.000) 0.000 29.055 ( 0.000 0.000 0.000) 0.000 29.055 ( 0.000 0.000 0.000) 0.000 29.055 ( -0.000 0.000 0.000) 0.000 30.151 ( 0.000 0.000 0.000) 0.000 30.151 ( 0.000 0.000 0.000) 0.000 30.264 ( 0.000 0.000 0.000) 0.000 30.264 ( 0.000 0.000 0.000) 0.000 34.337 ( 0.000 0.000 -0.000) 0.000 34.337 ( 0.000 0.000 0.000) 0.000 34.346 ( 0.000 0.000 0.000) 0.000 34.346 ( 0.000 0.000 0.000) 0.000 97.781 ( 0.000 0.000 0.000) 0.000 97.781 ( 0.000 0.000 0.000) 0.000 97.786 ( 0.000 0.000 0.000) 0.000 97.786 ( 0.000 0.000 0.000) 0.000 100.050 ( -0.000 0.000 -0.000) 0.000 100.050 ( 0.000 0.000 0.000) 0.000 100.069 ( 0.000 0.000 0.000) 0.000 100.069 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 187 (61/72) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 0.000 10.022 -34.040) 35.485 2.580 ( 0.000 10.022 34.040) 35.485 2.690 ( 0.000 12.875 -39.801) 41.832 2.690 ( 0.000 12.875 39.801) 41.832 3.481 ( 0.000 -24.684 -28.043) 37.359 3.481 ( 0.000 -24.684 28.043) 37.359 3.666 ( 0.000 -17.083 -15.432) 23.022 3.666 ( 0.000 -17.083 15.432) 23.022 4.245 ( 0.000 17.129 -35.017) 38.982 4.245 ( 0.000 17.129 35.017) 38.982 4.633 ( 0.000 19.076 -43.029) 47.068 4.633 ( 0.000 19.076 43.029) 47.068 4.761 ( 0.000 23.171 -18.526) 29.667 4.761 ( 0.000 23.171 18.526) 29.667 5.070 ( 0.000 -1.872 -7.877) 8.097 5.070 ( 0.000 -1.872 7.877) 8.097 5.375 ( 0.000 -22.977 -15.034) 27.458 5.375 ( 0.000 -22.977 15.034) 27.458 5.618 ( 0.000 -19.754 -19.737) 27.925 5.618 ( 0.000 -19.754 19.737) 27.925 5.772 ( 0.000 -15.819 -16.838) 23.103 5.772 ( 0.000 -15.819 16.838) 23.103 5.950 ( 0.000 6.522 -3.622) 7.460 5.950 ( 0.000 6.522 3.622) 7.460 6.248 ( 0.000 3.679 -1.255) 3.887 6.248 ( 0.000 3.679 1.255) 3.887 6.310 ( 0.000 4.959 -0.177) 4.962 6.310 ( 0.000 4.959 0.177) 4.962 6.660 ( 0.000 -8.534 -9.710) 12.927 6.660 ( 0.000 -8.534 9.710) 12.927 6.781 ( 0.000 -7.465 -10.458) 12.849 6.781 ( 0.000 -7.465 10.458) 12.849 6.877 ( 0.000 4.506 -2.008) 4.933 6.877 ( 0.000 4.506 2.008) 4.933 7.002 ( 0.000 2.694 -1.128) 2.920 7.002 ( 0.000 2.694 1.128) 2.920 7.165 ( 0.000 7.761 -6.949) 10.417 7.165 ( 0.000 7.761 6.949) 10.417 7.505 ( 0.000 8.399 -19.879) 21.581 7.505 ( 0.000 8.399 19.879) 21.581 7.722 ( 0.000 -1.892 -0.044) 1.892 7.722 ( 0.000 -1.892 0.044) 1.892 7.787 ( 0.000 1.447 -4.785) 4.999 7.787 ( 0.000 1.447 4.785) 4.999 7.879 ( 0.000 9.429 -14.442) 17.248 7.879 ( 0.000 9.429 14.442) 17.248 8.032 ( 0.000 -2.246 -8.797) 9.079 8.032 ( 0.000 -2.246 8.797) 9.079 8.100 ( 0.000 -0.654 -6.898) 6.929 8.100 ( 0.000 -0.654 6.898) 6.929 8.190 ( 0.000 4.527 -17.799) 18.365 8.190 ( 0.000 4.527 17.799) 18.365 8.300 ( 0.000 -2.291 -8.613) 8.912 8.300 ( 0.000 -2.291 8.613) 8.912 8.464 ( 0.000 4.711 -17.194) 17.828 8.464 ( 0.000 4.711 17.194) 17.828 8.544 ( 0.000 2.892 -0.019) 2.892 8.544 ( 0.000 2.892 0.019) 2.892 8.801 ( 0.000 -8.226 -3.987) 9.141 8.801 ( 0.000 -8.226 3.987) 9.141 8.861 ( 0.000 -7.405 -4.436) 8.632 8.861 ( 0.000 -7.405 4.436) 8.632 9.247 ( 0.000 0.753 -5.725) 5.774 9.247 ( 0.000 0.753 5.725) 5.774 9.415 ( 0.000 6.945 -5.967) 9.157 9.415 ( 0.000 6.945 5.967) 9.157 9.625 ( 0.000 -4.089 -0.881) 4.183 9.625 ( 0.000 -4.089 0.881) 4.183 9.749 ( 0.000 1.893 -2.985) 3.535 9.749 ( 0.000 1.893 2.985) 3.535 9.815 ( 0.000 -4.448 -0.783) 4.516 9.815 ( 0.000 -4.448 0.783) 4.516 9.964 ( 0.000 0.236 -4.297) 4.304 9.964 ( 0.000 0.236 4.297) 4.304 10.317 ( 0.000 -0.746 -0.337) 0.818 10.317 ( 0.000 -0.746 0.337) 0.818 10.461 ( 0.000 -0.510 -3.617) 3.653 10.461 ( 0.000 -0.510 3.617) 3.653 10.496 ( 0.000 -2.128 -2.197) 3.058 10.496 ( 0.000 -2.128 2.197) 3.058 10.606 ( 0.000 -1.515 -0.871) 1.748 10.606 ( 0.000 -1.515 0.871) 1.748 10.644 ( 0.000 0.009 -1.103) 1.103 10.644 ( 0.000 0.009 1.103) 1.103 10.819 ( 0.000 3.420 -5.380) 6.375 10.819 ( 0.000 3.420 5.380) 6.375 11.026 ( 0.000 0.848 -2.285) 2.437 11.026 ( 0.000 0.848 2.285) 2.437 11.217 ( 0.000 7.106 -1.416) 7.246 11.217 ( 0.000 7.106 1.416) 7.246 11.292 ( 0.000 2.809 -0.123) 2.812 11.292 ( 0.000 2.809 0.123) 2.812 11.379 ( 0.000 1.004 -1.909) 2.157 11.379 ( 0.000 1.004 1.909) 2.157 11.556 ( 0.000 -2.394 -5.101) 5.634 11.556 ( 0.000 -2.394 5.101) 5.634 11.653 ( 0.000 -1.223 -0.692) 1.406 11.653 ( 0.000 -1.223 0.692) 1.406 11.750 ( 0.000 0.680 -3.115) 3.188 11.750 ( 0.000 0.680 3.115) 3.188 11.913 ( 0.000 -6.660 -0.240) 6.664 11.913 ( 0.000 -6.660 0.240) 6.664 12.071 ( 0.000 -1.539 -2.316) 2.781 12.071 ( 0.000 -1.539 2.316) 2.781 12.121 ( 0.000 -0.854 -3.225) 3.336 12.121 ( 0.000 -0.854 3.225) 3.336 12.504 ( 0.000 3.435 -2.451) 4.220 12.504 ( 0.000 3.435 2.451) 4.220 12.530 ( 0.000 -2.202 -1.135) 2.478 12.530 ( 0.000 -2.202 1.135) 2.478 12.717 ( 0.000 6.023 -3.088) 6.768 12.717 ( 0.000 6.023 3.088) 6.768 12.852 ( 0.000 2.536 -0.159) 2.541 12.852 ( 0.000 2.536 0.159) 2.541 12.940 ( 0.000 -1.291 -0.081) 1.293 12.940 ( 0.000 -1.291 0.081) 1.293 13.002 ( 0.000 -2.798 -1.395) 3.126 13.002 ( 0.000 -2.798 1.395) 3.126 13.089 ( 0.000 -0.031 -1.919) 1.920 13.089 ( 0.000 -0.031 1.919) 1.920 13.106 ( 0.000 0.494 -4.301) 4.330 13.106 ( 0.000 0.494 4.301) 4.330 13.252 ( 0.000 -2.213 -1.337) 2.585 13.252 ( 0.000 -2.213 1.337) 2.585 13.370 ( 0.000 2.176 -7.418) 7.730 13.370 ( 0.000 2.176 7.418) 7.730 13.485 ( 0.000 4.130 -0.116) 4.132 13.485 ( 0.000 4.130 0.116) 4.132 13.668 ( 0.000 -3.928 -1.110) 4.082 13.668 ( 0.000 -3.928 1.110) 4.082 13.783 ( 0.000 -3.988 -1.228) 4.173 13.783 ( 0.000 -3.988 1.228) 4.173 14.008 ( 0.000 -0.860 -1.702) 1.907 14.008 ( 0.000 -0.860 1.702) 1.907 14.175 ( 0.000 -7.530 -2.940) 8.083 14.175 ( 0.000 -7.530 2.940) 8.083 14.272 ( 0.000 7.917 -4.095) 8.913 14.272 ( 0.000 7.917 4.095) 8.913 14.647 ( 0.000 8.656 -3.266) 9.252 14.647 ( 0.000 8.656 3.266) 9.252 14.801 ( 0.000 -3.592 -5.283) 6.389 14.801 ( 0.000 -3.592 5.283) 6.389 14.931 ( 0.000 -4.534 -0.195) 4.538 14.931 ( 0.000 -4.534 0.195) 4.538 15.249 ( 0.000 5.744 -5.268) 7.794 15.249 ( 0.000 5.744 5.268) 7.794 15.487 ( 0.000 -4.172 -5.972) 7.285 15.487 ( 0.000 -4.172 5.972) 7.285 15.620 ( 0.000 1.634 -1.991) 2.576 15.620 ( 0.000 1.634 1.991) 2.576 15.869 ( 0.000 0.497 -1.881) 1.945 15.869 ( 0.000 0.497 1.881) 1.945 16.185 ( 0.000 -2.046 -6.100) 6.434 16.185 ( 0.000 -2.046 6.100) 6.434 16.356 ( 0.000 -1.550 -2.720) 3.130 16.356 ( 0.000 -1.550 2.720) 3.130 16.476 ( 0.000 0.631 -1.938) 2.038 16.476 ( 0.000 0.631 1.938) 2.038 16.818 ( 0.000 5.622 -10.584) 11.984 16.818 ( 0.000 5.622 10.584) 11.984 17.178 ( 0.000 -3.098 -10.009) 10.478 17.178 ( 0.000 -3.098 10.009) 10.478 17.246 ( 0.000 -2.703 -6.375) 6.925 17.246 ( 0.000 -2.703 6.375) 6.925 17.547 ( 0.000 -5.334 -0.000) 5.334 17.547 ( 0.000 -5.334 0.000) 5.334 18.449 ( 0.000 0.709 -1.285) 1.468 18.449 ( 0.000 0.709 1.285) 1.468 18.583 ( 0.000 8.230 -13.282) 15.625 18.583 ( 0.000 8.230 13.282) 15.625 19.586 ( 0.000 -0.347 -2.025) 2.054 19.586 ( 0.000 -0.347 2.025) 2.054 20.352 ( 0.000 0.056 -0.194) 0.202 20.352 ( 0.000 0.056 0.194) 0.202 20.540 ( 0.000 2.567 -1.593) 3.021 20.540 ( 0.000 2.567 1.593) 3.021 21.086 ( 0.000 -11.187 -3.960) 11.867 21.086 ( 0.000 -11.187 3.960) 11.867 21.504 ( 0.000 5.552 -0.372) 5.564 21.504 ( 0.000 5.552 0.372) 5.564 22.089 ( 0.000 -5.520 -0.792) 5.577 22.089 ( 0.000 -5.520 0.792) 5.577 22.398 ( 0.000 9.553 -4.973) 10.770 22.398 ( 0.000 9.553 4.973) 10.770 22.648 ( 0.000 -3.433 -7.228) 8.001 22.648 ( 0.000 -3.433 7.228) 8.001 25.296 ( 0.000 1.220 -5.345) 5.483 25.296 ( 0.000 1.220 5.345) 5.483 25.478 ( 0.000 -2.470 -2.193) 3.303 25.478 ( 0.000 -2.470 2.193) 3.303 29.024 ( 0.000 0.479 -1.614) 1.684 29.024 ( 0.000 0.479 1.614) 1.684 29.193 ( 0.000 -1.066 -0.162) 1.079 29.193 ( 0.000 -1.066 0.162) 1.079 29.673 ( 0.000 -0.031 -3.350) 3.350 29.673 ( 0.000 -0.031 3.350) 3.350 29.702 ( 0.000 -0.163 -3.629) 3.633 29.702 ( 0.000 -0.163 3.629) 3.633 34.444 ( 0.000 1.117 -1.438) 1.821 34.444 ( 0.000 1.117 1.438) 1.821 34.485 ( 0.000 -0.734 -0.250) 0.776 34.485 ( 0.000 -0.734 0.250) 0.776 97.810 ( 0.000 0.142 -3.588) 3.591 97.810 ( 0.000 0.142 3.588) 3.591 97.889 ( 0.000 -0.720 -1.246) 1.439 97.889 ( 0.000 -0.720 1.246) 1.439 100.022 ( 0.000 2.535 -2.825) 3.796 100.022 ( 0.000 2.535 2.825) 3.796 100.306 ( 0.000 -0.960 -1.908) 2.136 100.306 ( 0.000 -0.960 1.908) 2.136 ======================= Grid point 189 (62/72) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( 13.090 10.401 0.000) 16.719 2.707 ( 10.384 11.761 -0.000) 15.690 2.774 ( 9.456 14.345 0.000) 17.181 2.792 ( 11.701 12.601 -0.000) 17.195 3.471 ( 4.085 -25.203 0.000) 25.532 3.543 ( 8.119 -22.943 -0.000) 24.337 3.759 ( 10.214 -25.559 -0.000) 27.524 3.817 ( 9.459 -20.701 0.000) 22.760 4.402 ( 14.281 19.136 0.000) 23.878 4.406 ( 8.395 18.912 -0.000) 20.692 4.574 ( 4.708 22.810 0.000) 23.291 4.734 ( 10.456 13.255 -0.000) 16.882 4.870 ( 10.238 16.349 0.000) 19.290 4.890 ( 10.142 28.441 -0.000) 30.195 5.116 ( 5.027 -0.957 -0.000) 5.117 5.132 ( 5.134 0.493 0.000) 5.158 5.423 ( 3.756 -17.823 0.000) 18.214 5.481 ( 8.387 -18.208 -0.000) 20.047 5.653 ( 7.475 -25.214 0.000) 26.299 5.735 ( 10.189 -17.047 0.000) 19.860 5.805 ( 3.190 -12.813 -0.000) 13.204 5.867 ( 6.105 -16.547 0.000) 17.637 5.963 ( 2.836 4.768 -0.000) 5.547 5.965 ( 1.919 6.240 0.000) 6.529 6.157 ( -5.962 1.680 0.000) 6.194 6.194 ( -5.587 -0.002 0.000) 5.587 6.336 ( 2.132 5.147 0.000) 5.571 6.369 ( 3.294 5.452 0.000) 6.370 6.610 ( -2.913 -6.373 0.000) 7.007 6.688 ( -1.905 -7.884 0.000) 8.111 6.769 ( -1.839 -2.297 0.000) 2.943 6.791 ( -2.859 -2.070 -0.000) 3.530 6.830 ( 0.705 2.213 0.000) 2.323 6.840 ( -4.890 -0.484 -0.000) 4.914 6.998 ( 1.196 4.354 0.000) 4.515 6.998 ( -2.784 -0.138 0.000) 2.788 7.102 ( -4.727 5.243 0.000) 7.059 7.225 ( 3.044 6.648 -0.000) 7.312 7.284 ( -14.327 5.704 0.000) 15.420 7.487 ( -6.256 1.730 0.000) 6.490 7.551 ( -8.817 -2.575 0.000) 9.185 7.586 ( -18.346 -1.048 0.000) 18.376 7.670 ( -9.200 -0.033 -0.000) 9.200 7.691 ( -19.870 -0.090 0.000) 19.870 7.757 ( -4.473 6.948 0.000) 8.263 7.820 ( -13.197 4.268 0.000) 13.870 7.895 ( -12.334 -3.426 0.000) 12.801 7.926 ( -0.310 4.697 0.000) 4.708 7.946 ( -9.235 8.628 -0.000) 12.638 8.050 ( -7.008 2.846 0.000) 7.564 8.146 ( 3.782 7.197 -0.000) 8.130 8.242 ( -0.586 4.327 0.000) 4.367 8.286 ( -0.285 2.548 0.000) 2.563 8.358 ( 4.353 -0.169 0.000) 4.356 8.438 ( -0.153 -3.021 0.000) 3.025 8.462 ( 4.300 1.922 0.000) 4.710 8.616 ( 0.247 -1.382 0.000) 1.404 8.731 ( -4.254 -4.861 0.000) 6.459 8.765 ( 9.678 4.175 0.000) 10.540 8.814 ( -3.655 -3.588 -0.000) 5.122 8.950 ( 7.242 -10.368 -0.000) 12.647 8.951 ( 12.920 -5.414 0.000) 14.009 9.146 ( -7.947 0.043 0.000) 7.948 9.252 ( -0.659 -1.386 0.000) 1.535 9.372 ( -1.473 4.204 0.000) 4.455 9.448 ( -0.690 3.420 0.000) 3.489 9.674 ( 5.314 -0.333 0.000) 5.325 9.696 ( 0.620 -1.995 -0.000) 2.089 9.746 ( 4.048 1.139 0.000) 4.205 9.798 ( 1.878 -1.523 0.000) 2.418 9.815 ( 1.673 -2.436 0.000) 2.955 9.863 ( 3.904 -1.546 0.000) 4.199 9.899 ( -3.714 -0.023 0.000) 3.714 9.951 ( -0.445 -0.322 0.000) 0.549 10.167 ( -6.965 -0.322 0.000) 6.972 10.259 ( -11.768 -0.461 0.000) 11.777 10.335 ( -3.331 -1.871 0.000) 3.821 10.347 ( -6.598 -2.241 -0.000) 6.968 10.412 ( -9.240 1.939 -0.000) 9.442 10.420 ( -4.562 1.623 0.000) 4.842 10.508 ( -2.282 -0.844 0.000) 2.433 10.544 ( -2.837 -1.299 0.000) 3.120 10.861 ( 4.754 1.372 0.000) 4.948 10.876 ( 4.411 5.491 0.000) 7.043 10.895 ( 9.242 1.998 -0.000) 9.455 10.917 ( 11.390 -3.649 0.000) 11.960 11.006 ( 0.959 1.916 0.000) 2.142 11.090 ( 2.762 -0.256 0.000) 2.774 11.243 ( 1.582 -0.356 0.000) 1.621 11.270 ( 4.443 2.052 0.000) 4.893 11.300 ( 6.308 6.439 0.000) 9.014 11.389 ( 3.370 2.024 0.000) 3.931 11.410 ( 5.593 -0.525 0.000) 5.617 11.444 ( -2.262 -5.920 0.000) 6.337 11.557 ( 0.581 2.418 0.000) 2.487 11.572 ( 4.405 4.410 -0.000) 6.233 11.642 ( 3.675 -1.939 0.000) 4.155 11.669 ( 0.478 -4.520 0.000) 4.545 11.744 ( 1.814 0.475 0.000) 1.875 11.803 ( 4.815 0.307 0.000) 4.825 11.928 ( -0.948 -3.679 0.000) 3.799 11.953 ( 6.967 -5.637 0.000) 8.962 12.041 ( -0.730 1.038 0.000) 1.269 12.086 ( 0.026 0.064 0.000) 0.069 12.132 ( 2.052 -2.875 0.000) 3.532 12.185 ( 3.483 -0.305 -0.000) 3.496 12.329 ( -11.761 4.233 0.000) 12.500 12.408 ( -9.689 2.028 0.000) 9.899 12.453 ( -5.969 -2.101 0.000) 6.328 12.519 ( -1.627 -0.584 0.000) 1.728 12.667 ( -4.126 5.099 0.000) 6.559 12.739 ( -0.083 7.525 0.000) 7.525 12.785 ( -4.409 -1.040 0.000) 4.530 12.828 ( -3.200 0.500 0.000) 3.238 12.901 ( -5.128 -2.005 0.000) 5.506 12.967 ( -4.198 0.248 -0.000) 4.205 12.968 ( -0.531 0.009 0.000) 0.531 13.003 ( 2.467 0.342 0.000) 2.490 13.054 ( -2.378 -1.314 0.000) 2.717 13.056 ( -7.107 0.342 -0.000) 7.115 13.091 ( 3.210 -1.260 0.000) 3.448 13.098 ( -0.130 -0.275 0.000) 0.304 13.240 ( 0.106 -3.961 0.000) 3.963 13.271 ( 0.441 -2.809 -0.000) 2.843 13.403 ( 8.456 1.527 -0.000) 8.593 13.455 ( 2.370 0.461 0.000) 2.414 13.533 ( -0.835 3.244 -0.000) 3.350 13.534 ( 4.259 3.731 0.000) 5.663 13.645 ( -4.402 2.453 0.000) 5.039 13.697 ( -7.368 -0.949 0.000) 7.428 13.765 ( 1.891 3.366 0.000) 3.861 13.799 ( -1.908 -3.758 0.000) 4.215 13.894 ( 0.049 -7.823 0.000) 7.823 13.997 ( 0.056 -6.303 0.000) 6.303 14.076 ( 4.769 1.106 0.000) 4.896 14.225 ( 5.726 -5.276 0.000) 7.786 14.342 ( -2.046 0.293 0.000) 2.067 14.382 ( 3.230 7.454 0.000) 8.123 14.554 ( -9.856 2.257 0.000) 10.111 14.579 ( -4.702 8.877 -0.000) 10.046 14.746 ( 2.014 -4.496 0.000) 4.927 14.761 ( 2.385 -0.810 -0.000) 2.519 15.005 ( 3.392 -3.310 0.000) 4.739 15.025 ( 4.269 -1.611 0.000) 4.562 15.200 ( -2.334 5.510 0.000) 5.984 15.271 ( -1.227 5.458 0.000) 5.594 15.451 ( -1.694 -5.783 0.000) 6.026 15.516 ( 1.943 -6.506 0.000) 6.790 15.648 ( 2.492 3.786 0.000) 4.533 15.679 ( 7.027 2.023 0.000) 7.313 15.972 ( 8.005 0.757 -0.000) 8.040 15.973 ( 7.644 0.811 0.000) 7.687 16.151 ( -3.245 -2.164 -0.000) 3.900 16.151 ( -2.901 -2.263 0.000) 3.679 16.301 ( -2.862 1.424 0.000) 3.196 16.344 ( -5.050 2.141 0.000) 5.485 16.459 ( 1.456 -2.561 0.000) 2.946 16.519 ( 2.721 -1.878 0.000) 3.306 16.831 ( 3.465 2.859 0.000) 4.492 16.870 ( 2.722 4.077 -0.000) 4.902 17.140 ( -1.203 -1.643 0.000) 2.036 17.176 ( -1.945 -0.266 0.000) 1.963 17.260 ( 1.872 -1.870 0.000) 2.646 17.291 ( 3.768 -1.321 -0.000) 3.993 17.527 ( -1.153 -5.259 0.000) 5.384 17.555 ( 0.242 -6.871 -0.000) 6.875 18.333 ( -17.414 7.694 0.000) 19.038 18.370 ( -14.134 6.412 -0.000) 15.521 18.464 ( -0.053 -0.482 0.000) 0.485 18.475 ( -2.175 0.068 -0.000) 2.176 19.671 ( 5.720 0.647 0.000) 5.757 19.689 ( 5.479 0.691 0.000) 5.523 20.434 ( 6.843 0.389 -0.000) 6.854 20.437 ( 7.923 0.505 0.000) 7.939 20.542 ( 1.625 0.838 0.000) 1.829 20.604 ( 6.029 2.179 0.000) 6.411 21.001 ( -3.459 -7.524 0.000) 8.281 21.192 ( 5.914 -10.929 0.000) 12.427 21.414 ( -5.769 6.785 0.000) 8.906 21.537 ( 0.290 2.258 0.000) 2.277 22.036 ( -5.278 -4.702 0.000) 7.069 22.043 ( -5.015 -5.274 0.000) 7.278 22.354 ( -4.194 9.720 0.000) 10.586 22.360 ( -3.862 9.199 -0.000) 9.977 22.603 ( -4.174 -3.692 0.000) 5.572 22.604 ( -4.155 -3.626 -0.000) 5.515 25.290 ( -0.468 0.996 0.000) 1.101 25.291 ( -0.464 1.012 -0.000) 1.113 25.445 ( -3.032 -1.889 0.000) 3.572 25.447 ( -2.988 -1.876 -0.000) 3.528 29.028 ( 0.372 0.381 0.000) 0.533 29.029 ( 0.381 0.397 -0.000) 0.551 29.171 ( -1.845 -0.784 0.000) 2.005 29.175 ( -1.835 -0.769 0.000) 1.989 29.740 ( 6.152 0.005 -0.000) 6.152 29.747 ( 5.845 0.188 0.000) 5.848 29.756 ( 6.440 -0.497 0.000) 6.459 29.763 ( 6.212 -0.316 -0.000) 6.220 34.432 ( -1.022 0.937 -0.000) 1.386 34.435 ( -0.967 1.000 0.000) 1.391 34.470 ( -1.460 -0.694 -0.000) 1.616 34.470 ( -1.469 -0.628 0.000) 1.597 97.803 ( -0.509 0.046 0.000) 0.511 97.808 ( -0.338 0.078 -0.000) 0.347 97.867 ( -1.770 -0.449 -0.000) 1.827 97.875 ( -1.541 -0.424 0.000) 1.599 100.005 ( -0.652 1.686 -0.000) 1.807 100.036 ( 0.234 1.848 0.000) 1.863 100.279 ( -2.064 -0.666 0.000) 2.168 100.299 ( -1.423 -0.489 0.000) 1.505 ======================= Grid point 191 (63/72) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( 19.231 10.019 0.000) 21.685 3.013 ( 22.098 9.141 0.000) 23.914 3.105 ( 19.734 11.708 0.000) 22.946 3.117 ( 24.896 12.301 -0.000) 27.769 3.668 ( 15.875 -21.429 0.000) 26.668 3.824 ( 18.694 -23.407 -0.000) 29.956 4.002 ( 15.249 -25.089 -0.000) 29.360 4.029 ( 12.892 -21.006 0.000) 24.646 4.486 ( 5.064 20.296 0.000) 20.918 4.638 ( 10.634 14.766 -0.000) 18.196 4.829 ( 14.583 20.146 0.000) 24.870 5.006 ( 10.121 18.851 0.000) 21.396 5.135 ( 16.133 8.708 0.000) 18.333 5.166 ( 18.159 10.786 -0.000) 21.121 5.228 ( 5.485 1.622 0.000) 5.720 5.236 ( 6.418 9.607 -0.000) 11.554 5.534 ( 9.122 -10.732 0.000) 14.085 5.637 ( 7.155 -8.694 0.000) 11.260 5.787 ( 1.479 -16.780 0.000) 16.845 5.872 ( -2.886 -0.917 0.000) 3.029 5.892 ( 6.979 -8.885 -0.000) 11.298 6.013 ( 13.432 -14.372 -0.000) 19.672 6.048 ( -3.628 -4.006 -0.345) 5.416 6.048 ( -4.660 -2.971 0.345) 5.538 6.067 ( 1.807 -0.706 -0.000) 1.940 6.071 ( 4.893 -1.101 0.000) 5.016 6.349 ( -2.753 1.706 0.000) 3.239 6.390 ( -1.859 1.517 0.000) 2.399 6.550 ( -4.660 -2.007 0.000) 5.074 6.579 ( -3.778 -2.133 0.000) 4.339 6.654 ( -2.473 -0.092 0.000) 2.475 6.693 ( -13.986 -3.159 -0.000) 14.338 6.794 ( -3.008 -3.423 0.000) 4.557 6.838 ( -3.546 6.973 0.000) 7.823 6.849 ( -1.328 -6.060 0.000) 6.204 6.914 ( -13.871 1.174 0.000) 13.921 7.042 ( 2.383 2.352 0.000) 3.348 7.075 ( -9.963 1.175 0.000) 10.032 7.188 ( -18.732 -1.907 0.000) 18.829 7.195 ( -17.362 -2.744 -0.000) 17.577 7.332 ( -11.388 -4.804 0.000) 12.360 7.334 ( -5.465 3.364 -0.000) 6.418 7.398 ( -6.356 -3.338 0.000) 7.179 7.406 ( -15.198 3.961 0.000) 15.706 7.636 ( -9.144 7.813 -0.000) 12.027 7.656 ( -1.079 -1.047 0.000) 1.503 7.677 ( -6.109 -7.015 -0.000) 9.302 7.832 ( -11.524 10.012 0.000) 15.266 7.836 ( 0.815 14.601 -0.000) 14.624 7.932 ( -1.772 1.987 -0.000) 2.663 8.194 ( -3.785 4.367 0.000) 5.779 8.249 ( 1.997 17.515 0.000) 17.629 8.305 ( 1.951 -0.048 0.000) 1.952 8.432 ( 0.621 0.440 0.000) 0.761 8.471 ( -3.262 -1.097 0.000) 3.441 8.484 ( 3.715 -10.674 -0.000) 11.302 8.540 ( -5.212 -2.993 -0.000) 6.010 8.641 ( -3.570 1.502 0.000) 3.873 8.713 ( -3.655 1.068 0.000) 3.808 8.875 ( -2.256 -5.864 0.000) 6.283 8.992 ( 4.539 4.075 0.000) 6.100 9.163 ( 5.938 -5.843 -0.000) 8.330 9.191 ( 9.355 -3.675 0.000) 10.050 9.211 ( -4.033 -0.069 0.000) 4.033 9.400 ( 5.128 -1.080 -0.000) 5.240 9.410 ( -0.852 -0.110 0.000) 0.859 9.638 ( -3.908 -0.618 0.000) 3.957 9.732 ( 0.271 0.748 0.000) 0.796 9.810 ( 0.836 2.491 0.000) 2.628 9.814 ( -1.505 -0.247 0.000) 1.525 9.873 ( 1.576 -1.269 0.000) 2.023 9.882 ( 1.081 -1.828 0.000) 2.123 9.884 ( -4.377 -1.562 -0.000) 4.648 9.952 ( 2.326 0.121 0.000) 2.329 10.076 ( -5.700 2.110 0.000) 6.078 10.124 ( 0.677 -0.146 0.000) 0.693 10.230 ( -7.713 4.665 0.000) 9.014 10.239 ( -4.843 0.747 -0.000) 4.900 10.283 ( -0.462 -2.403 0.000) 2.447 10.338 ( -4.226 0.254 0.000) 4.233 10.445 ( -4.195 -2.986 0.000) 5.149 10.476 ( -4.903 -3.058 0.000) 5.778 10.903 ( -0.415 2.572 0.000) 2.606 10.936 ( 0.985 3.258 -0.000) 3.404 10.999 ( -1.711 -1.252 0.000) 2.120 11.013 ( 4.415 -0.574 -0.000) 4.453 11.072 ( 6.686 1.698 0.000) 6.898 11.133 ( 2.793 5.433 0.000) 6.109 11.330 ( -3.713 -6.731 0.000) 7.687 11.338 ( -5.628 0.875 0.000) 5.696 11.365 ( 0.631 -0.482 0.000) 0.794 11.381 ( 4.874 0.569 0.000) 4.908 11.408 ( 1.237 2.083 0.000) 2.422 11.513 ( -1.769 -6.350 0.000) 6.592 11.523 ( 7.911 -4.761 -0.000) 9.233 11.590 ( 0.843 -2.166 0.000) 2.324 11.715 ( 1.814 1.760 0.000) 2.527 11.773 ( 2.944 2.144 -0.000) 3.642 11.775 ( 1.053 -1.115 0.000) 1.534 11.881 ( -2.917 -4.436 0.000) 5.309 11.920 ( 0.285 4.675 0.000) 4.684 12.036 ( 0.578 2.979 0.000) 3.035 12.059 ( -2.548 2.988 -0.000) 3.927 12.115 ( 3.539 -4.381 0.000) 5.632 12.141 ( -6.642 2.330 0.000) 7.039 12.226 ( 4.452 -0.240 0.000) 4.459 12.285 ( 2.602 -2.884 0.000) 3.884 12.331 ( 8.895 -1.919 0.000) 9.100 12.379 ( 6.054 6.188 0.000) 8.657 12.494 ( 0.008 4.633 0.000) 4.633 12.580 ( -3.817 4.581 0.000) 5.962 12.660 ( -6.514 8.522 0.000) 10.727 12.710 ( -2.037 -5.848 0.000) 6.193 12.742 ( -8.540 -3.539 0.000) 9.244 12.786 ( -2.721 -4.896 0.000) 5.601 12.818 ( -11.740 1.606 -0.000) 11.849 12.895 ( -2.505 1.086 0.000) 2.730 12.988 ( -1.836 1.437 0.000) 2.331 13.017 ( -2.182 -1.551 0.000) 2.677 13.087 ( -0.305 -3.203 0.000) 3.217 13.105 ( 3.130 -1.073 0.000) 3.309 13.191 ( 0.897 -0.666 0.000) 1.117 13.202 ( -2.956 -0.353 0.000) 2.977 13.241 ( -3.597 -2.021 0.000) 4.126 13.319 ( -7.767 3.553 0.000) 8.541 13.412 ( -14.426 1.355 0.000) 14.489 13.472 ( -0.647 3.765 0.000) 3.820 13.496 ( -2.124 0.600 0.000) 2.207 13.587 ( 7.969 -2.164 -0.000) 8.257 13.660 ( -0.016 -1.247 0.000) 1.247 13.858 ( 4.240 1.719 -0.000) 4.575 13.869 ( 10.479 1.042 0.000) 10.530 14.046 ( 11.059 -4.963 -0.000) 12.121 14.088 ( 6.423 -4.166 0.000) 7.656 14.148 ( -1.762 0.135 0.000) 1.767 14.285 ( -4.967 -2.863 0.000) 5.733 14.300 ( 1.995 0.649 0.000) 2.097 14.383 ( 4.833 -2.237 0.000) 5.326 14.462 ( -0.658 12.148 0.000) 12.165 14.507 ( -1.331 6.087 0.000) 6.231 14.814 ( 1.240 -6.054 0.000) 6.179 14.856 ( 5.868 -5.721 0.000) 8.196 15.046 ( 1.260 -2.768 0.000) 3.041 15.078 ( 2.120 -1.722 0.000) 2.731 15.165 ( -0.592 6.601 0.000) 6.627 15.209 ( -4.235 8.084 0.000) 9.126 15.417 ( -2.060 -7.063 0.000) 7.357 15.554 ( 0.581 -11.099 0.000) 11.114 15.690 ( 1.321 7.545 0.000) 7.660 15.874 ( 11.532 0.136 0.000) 11.533 16.059 ( 2.275 0.022 -0.000) 2.275 16.073 ( -4.031 0.032 0.000) 4.031 16.104 ( 4.964 2.563 0.000) 5.586 16.118 ( -1.458 0.486 0.000) 1.537 16.195 ( -8.829 3.972 0.000) 9.682 16.260 ( -0.811 4.271 0.000) 4.347 16.513 ( 3.200 -5.757 0.000) 6.586 16.575 ( 2.584 -5.672 0.000) 6.233 16.928 ( 5.659 0.442 0.000) 5.677 16.933 ( 4.610 0.650 -0.000) 4.655 17.117 ( -1.737 0.963 0.000) 1.986 17.126 ( -2.945 0.681 0.000) 3.023 17.326 ( 4.106 2.044 0.000) 4.586 17.365 ( 3.352 2.822 -0.000) 4.381 17.520 ( 1.234 -6.254 0.000) 6.374 17.569 ( 1.776 -8.022 -0.000) 8.216 18.016 ( -13.738 5.406 0.000) 14.763 18.071 ( -14.026 4.289 0.000) 14.667 18.472 ( 0.545 -0.501 0.000) 0.740 18.477 ( 1.001 -0.447 0.000) 1.097 19.733 ( 0.990 0.936 0.000) 1.362 19.739 ( 0.265 0.933 -0.000) 0.970 20.549 ( 5.209 1.511 0.000) 5.424 20.553 ( 3.400 2.480 0.000) 4.208 20.643 ( 7.842 -3.819 0.000) 8.722 20.746 ( 5.356 -4.197 0.000) 6.804 20.979 ( 2.398 2.490 0.000) 3.457 21.260 ( -4.176 8.511 0.000) 9.480 21.348 ( 4.396 -9.988 0.000) 10.912 21.522 ( -1.632 -2.502 0.000) 2.987 21.890 ( -9.521 -2.222 0.000) 9.776 21.901 ( -9.131 -2.782 0.000) 9.545 22.256 ( -5.354 7.826 0.000) 9.482 22.266 ( -5.337 7.378 -0.000) 9.106 22.507 ( -5.205 -3.464 0.000) 6.252 22.508 ( -5.287 -3.459 -0.000) 6.319 25.280 ( -0.582 0.586 0.000) 0.826 25.280 ( -0.598 0.597 -0.000) 0.845 25.380 ( -3.319 -0.936 0.000) 3.448 25.381 ( -3.363 -0.925 -0.000) 3.488 29.037 ( 0.502 0.231 0.000) 0.552 29.037 ( 0.445 0.239 -0.000) 0.505 29.130 ( -2.245 -0.400 0.000) 2.281 29.132 ( -2.378 -0.392 -0.000) 2.410 29.874 ( 7.380 0.448 -0.000) 7.393 29.875 ( 7.538 0.456 0.000) 7.551 29.924 ( 9.590 -0.727 0.000) 9.618 29.925 ( 9.420 -0.736 -0.000) 9.448 34.407 ( -1.525 0.639 -0.000) 1.654 34.409 ( -1.700 0.649 0.000) 1.819 34.433 ( -2.304 -0.473 -0.000) 2.352 34.433 ( -2.179 -0.485 0.000) 2.232 97.793 ( -0.515 -0.061 0.000) 0.519 97.799 ( -0.528 -0.073 -0.000) 0.533 97.831 ( -1.747 -0.030 -0.000) 1.747 97.840 ( -1.835 -0.045 0.000) 1.835 99.999 ( 0.037 0.522 -0.000) 0.524 100.033 ( -0.401 0.561 0.000) 0.689 100.229 ( -2.984 -0.006 0.000) 2.984 100.253 ( -3.167 0.038 0.000) 3.167 ======================= Grid point 193 (64/72) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.448 ( 25.203 4.764 0.000) 25.649 3.534 ( 27.225 6.233 0.000) 27.929 3.535 ( 27.408 5.084 0.000) 27.876 3.657 ( 29.749 8.588 -0.000) 30.964 4.045 ( 21.848 -12.262 0.000) 25.054 4.176 ( 17.514 -14.679 -0.000) 22.852 4.317 ( 16.777 -14.924 0.000) 22.454 4.346 ( 18.431 -16.970 0.000) 25.053 4.652 ( 12.192 12.782 0.000) 17.664 4.840 ( 9.966 6.107 0.000) 11.688 5.057 ( 8.844 16.298 0.000) 18.542 5.114 ( 1.563 12.195 0.000) 12.295 5.272 ( 2.164 9.892 -0.000) 10.126 5.284 ( 0.414 1.279 0.000) 1.345 5.396 ( 6.764 -0.993 -0.000) 6.837 5.474 ( 6.768 -0.621 0.000) 6.796 5.652 ( -2.731 0.204 -0.000) 2.739 5.670 ( -5.491 1.839 0.000) 5.791 5.726 ( -12.120 -1.796 0.000) 12.252 5.765 ( -7.741 0.556 0.000) 7.761 5.906 ( -3.450 -2.427 0.000) 4.218 5.996 ( -4.146 -4.577 0.000) 6.176 6.002 ( 8.086 -1.567 0.000) 8.237 6.064 ( -8.365 -1.390 -0.000) 8.480 6.081 ( -5.592 -5.221 0.000) 7.650 6.130 ( -0.191 3.791 0.000) 3.795 6.290 ( -1.126 -6.605 0.000) 6.700 6.345 ( -1.203 0.265 0.000) 1.232 6.473 ( -1.014 -4.969 -0.000) 5.072 6.480 ( -2.899 -1.901 0.000) 3.467 6.594 ( -15.743 -0.012 0.000) 15.743 6.609 ( 4.945 -3.762 -0.000) 6.214 6.685 ( -9.121 1.075 0.000) 9.184 6.700 ( -10.669 -0.083 -0.000) 10.670 6.717 ( 2.945 -2.648 0.000) 3.960 6.802 ( -13.907 -1.219 0.000) 13.961 6.864 ( -10.090 -6.157 0.000) 11.820 6.936 ( 3.694 2.460 -0.000) 4.438 6.955 ( -6.758 -1.876 0.000) 7.013 7.073 ( -2.708 -5.348 -0.000) 5.994 7.087 ( -0.714 -2.978 0.000) 3.063 7.189 ( -4.012 -8.246 0.000) 9.170 7.295 ( 0.576 4.921 0.000) 4.955 7.374 ( -5.166 8.168 0.000) 9.664 7.530 ( 4.865 10.904 0.000) 11.940 7.635 ( -6.749 8.913 0.000) 11.180 7.646 ( -1.053 -9.584 -0.000) 9.642 7.667 ( 0.596 -6.156 -0.000) 6.185 7.904 ( -1.126 5.798 -0.000) 5.906 7.933 ( 5.497 8.358 0.000) 10.004 8.128 ( -3.451 5.700 -0.000) 6.663 8.136 ( -11.410 4.600 0.000) 12.303 8.301 ( -6.424 -7.275 0.000) 9.705 8.317 ( -0.723 2.784 -0.000) 2.876 8.429 ( -4.233 -0.649 -0.000) 4.282 8.474 ( 1.222 0.726 0.000) 1.422 8.556 ( 3.411 -10.710 0.000) 11.240 8.645 ( 5.849 8.377 0.000) 10.217 8.823 ( 11.569 7.755 0.000) 13.928 8.841 ( 0.332 -6.738 -0.000) 6.746 9.081 ( -9.059 -0.714 0.000) 9.088 9.128 ( -7.245 -3.919 0.000) 8.237 9.157 ( 8.802 9.165 0.000) 12.707 9.276 ( 0.333 1.940 0.000) 1.968 9.484 ( 4.827 -2.562 0.000) 5.465 9.516 ( 4.127 -2.018 0.000) 4.594 9.633 ( 3.863 -2.834 0.000) 4.791 9.686 ( -4.403 0.687 0.000) 4.456 9.729 ( -4.518 -1.447 0.000) 4.744 9.782 ( -1.936 -0.295 0.000) 1.958 9.828 ( -0.406 -1.401 0.000) 1.459 9.845 ( -0.993 -1.338 0.000) 1.666 9.897 ( -1.954 -0.119 0.000) 1.957 9.971 ( -2.204 -1.039 0.000) 2.437 10.043 ( -0.711 3.731 0.000) 3.798 10.092 ( -5.563 2.817 0.000) 6.236 10.161 ( 2.273 -1.059 0.000) 2.508 10.174 ( -1.616 -0.131 0.000) 1.622 10.257 ( -3.716 0.413 0.000) 3.739 10.260 ( -2.782 0.634 0.000) 2.853 10.365 ( -5.036 -3.929 0.000) 6.388 10.393 ( -0.571 -3.200 0.000) 3.250 10.849 ( -5.464 -1.279 0.000) 5.611 10.872 ( -9.497 -1.550 0.000) 9.623 10.986 ( 1.122 -0.516 0.000) 1.235 11.077 ( -6.789 1.658 0.000) 6.989 11.080 ( -1.136 0.292 -0.000) 1.172 11.153 ( -6.103 -4.984 0.000) 7.879 11.193 ( 1.675 6.396 0.000) 6.611 11.273 ( -2.245 0.709 0.000) 2.354 11.339 ( 1.935 2.153 0.000) 2.894 11.359 ( -3.754 3.803 -0.000) 5.344 11.428 ( -5.201 -4.325 0.000) 6.764 11.564 ( 6.618 -1.518 0.000) 6.790 11.578 ( -2.721 -4.927 0.000) 5.628 11.648 ( -2.943 -2.851 0.000) 4.097 11.726 ( 8.851 0.591 0.000) 8.871 11.834 ( 3.077 3.054 0.000) 4.336 11.834 ( 3.250 -5.157 -0.000) 6.096 11.862 ( 1.987 2.363 0.000) 3.087 11.923 ( 0.575 4.101 0.000) 4.141 12.002 ( -3.984 1.526 0.000) 4.266 12.033 ( -5.495 -1.114 0.000) 5.607 12.046 ( 1.828 1.981 -0.000) 2.696 12.101 ( -7.038 -2.787 0.000) 7.570 12.114 ( 1.025 -0.155 -0.000) 1.036 12.383 ( -1.919 2.112 0.000) 2.854 12.394 ( -7.951 1.012 0.000) 8.015 12.428 ( -7.411 2.287 0.000) 7.756 12.512 ( -3.383 3.184 0.000) 4.646 12.522 ( 0.129 3.181 0.000) 3.184 12.558 ( -3.408 3.289 0.000) 4.736 12.653 ( -2.170 -3.670 0.000) 4.264 12.667 ( 0.970 -3.746 0.000) 3.869 12.735 ( 0.248 -4.283 -0.000) 4.290 12.771 ( 0.287 -1.750 0.000) 1.773 12.867 ( -0.985 2.789 0.000) 2.957 12.923 ( -2.310 1.229 0.000) 2.617 12.998 ( -0.512 -1.981 0.000) 2.046 13.073 ( 6.806 -0.990 0.000) 6.878 13.102 ( -7.354 0.399 0.000) 7.365 13.105 ( -1.800 1.924 -0.000) 2.635 13.157 ( 0.824 0.532 0.000) 0.981 13.223 ( -3.392 5.181 0.000) 6.192 13.247 ( 6.870 -0.822 0.000) 6.919 13.375 ( 6.186 5.484 0.000) 8.267 13.508 ( 2.771 0.054 0.000) 2.772 13.529 ( 3.316 -1.649 0.000) 3.703 13.638 ( 0.375 -4.039 0.000) 4.056 13.717 ( 4.240 0.690 0.000) 4.296 13.933 ( 4.437 -6.044 -0.000) 7.498 14.036 ( 4.038 -3.319 0.000) 5.227 14.088 ( -3.355 -1.190 0.000) 3.560 14.191 ( 2.982 -3.339 0.000) 4.477 14.208 ( -1.775 -0.748 -0.000) 1.926 14.222 ( 7.327 -1.852 0.000) 7.557 14.337 ( 2.472 9.329 0.000) 9.651 14.416 ( 1.081 12.372 0.000) 12.419 14.539 ( 2.901 -0.243 0.000) 2.911 14.580 ( 8.929 0.109 0.000) 8.930 14.772 ( -3.887 -7.947 0.000) 8.847 14.911 ( 0.693 -7.858 0.000) 7.889 15.067 ( 1.346 0.770 0.000) 1.551 15.117 ( -3.259 6.824 0.000) 7.563 15.148 ( 2.434 0.169 0.000) 2.440 15.184 ( 1.502 2.350 0.000) 2.789 15.370 ( -2.747 -5.444 0.000) 6.098 15.475 ( -8.615 -7.255 0.000) 11.263 15.725 ( 2.734 4.840 0.000) 5.559 15.948 ( -6.054 -1.159 0.000) 6.164 16.009 ( -4.026 2.527 0.000) 4.753 16.037 ( -5.376 0.443 0.000) 5.394 16.131 ( 3.933 -0.277 0.000) 3.943 16.150 ( 5.537 -1.374 0.000) 5.705 16.201 ( 7.274 6.349 -0.000) 9.655 16.270 ( 1.764 6.145 0.000) 6.393 16.568 ( 2.497 -5.831 0.000) 6.343 16.611 ( 1.321 -5.629 0.000) 5.782 17.022 ( 3.098 -0.357 0.000) 3.118 17.038 ( 4.663 -0.897 0.000) 4.748 17.074 ( -1.490 1.280 -0.000) 1.964 17.075 ( -1.680 1.999 0.000) 2.611 17.369 ( 0.300 -0.323 0.000) 0.441 17.396 ( -0.393 -0.116 -0.000) 0.410 17.592 ( 5.129 -1.517 0.000) 5.349 17.637 ( 4.858 -2.499 -0.000) 5.463 17.814 ( -7.465 2.693 0.000) 7.936 17.855 ( -8.224 1.842 -0.000) 8.428 18.488 ( 1.047 -0.269 0.000) 1.081 18.498 ( 1.107 -0.259 0.000) 1.137 19.730 ( -0.601 0.615 0.000) 0.860 19.735 ( -0.270 0.623 -0.000) 0.679 20.617 ( 3.334 0.593 0.000) 3.386 20.655 ( 5.984 1.961 0.000) 6.297 20.767 ( -1.358 -7.128 0.000) 7.256 20.770 ( 5.355 -4.542 -0.000) 7.022 21.068 ( 4.322 9.176 0.000) 10.143 21.142 ( -6.201 9.711 0.000) 11.522 21.460 ( 4.093 -10.731 0.000) 11.485 21.465 ( -5.145 -7.796 0.000) 9.340 21.698 ( -8.798 2.450 0.000) 9.133 21.738 ( -5.999 1.093 0.000) 6.098 22.162 ( -4.180 4.665 0.000) 6.264 22.169 ( -4.399 4.494 -0.000) 6.288 22.414 ( -4.288 -2.565 0.000) 4.997 22.414 ( -4.267 -2.553 -0.000) 4.973 25.269 ( -0.455 0.285 0.000) 0.537 25.270 ( -0.442 0.282 -0.000) 0.524 25.325 ( -2.239 -0.367 0.000) 2.269 25.326 ( -2.285 -0.364 -0.000) 2.314 29.045 ( 0.397 0.101 0.000) 0.409 29.046 ( 0.427 0.102 -0.000) 0.438 29.090 ( -1.740 -0.158 0.000) 1.748 29.091 ( -1.806 -0.158 -0.000) 1.813 30.014 ( 6.595 0.440 -0.000) 6.610 30.016 ( 6.619 0.466 0.000) 6.635 30.097 ( 7.893 -0.596 0.000) 7.915 30.098 ( 7.956 -0.571 -0.000) 7.976 34.374 ( -1.746 0.261 -0.000) 1.765 34.377 ( -1.490 0.417 0.000) 1.547 34.387 ( -2.224 -0.353 -0.000) 2.252 34.392 ( -2.024 -0.198 0.000) 2.034 97.785 ( -0.309 -0.078 0.000) 0.318 97.790 ( -0.413 -0.140 -0.000) 0.436 97.804 ( -1.054 0.137 -0.000) 1.063 97.810 ( -1.217 0.074 0.000) 1.220 100.005 ( 0.550 -0.062 -0.000) 0.553 100.027 ( -0.092 -0.112 0.000) 0.145 100.167 ( -3.289 0.301 0.000) 3.303 100.184 ( -3.699 0.252 0.000) 3.707 ======================= Grid point 195 (65/72) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.926 ( 22.349 0.857 0.000) 22.365 3.982 ( 20.115 1.490 -0.000) 20.170 4.139 ( 30.698 0.923 0.000) 30.711 4.222 ( 27.514 2.250 -0.000) 27.606 4.454 ( 18.643 -1.030 0.000) 18.671 4.505 ( 15.140 -1.914 -0.000) 15.261 4.648 ( 13.652 -5.646 -0.000) 14.773 4.655 ( 16.979 -6.751 0.000) 18.272 4.923 ( 13.189 1.891 0.000) 13.324 5.003 ( 6.258 -0.977 0.000) 6.334 5.072 ( -4.421 0.865 0.000) 4.505 5.116 ( -5.958 3.520 0.000) 6.920 5.230 ( -5.216 -0.085 0.000) 5.216 5.292 ( -4.507 8.659 -0.000) 9.762 5.370 ( -18.697 0.800 0.000) 18.714 5.384 ( -4.626 4.586 0.000) 6.514 5.446 ( -2.749 -0.015 0.000) 2.749 5.486 ( -10.306 -2.342 0.000) 10.569 5.635 ( -5.721 1.661 0.000) 5.957 5.649 ( -0.954 3.831 0.000) 3.948 5.764 ( -10.172 0.420 -0.000) 10.181 5.800 ( -12.133 3.277 0.000) 12.568 5.863 ( -7.534 -2.805 0.000) 8.039 5.866 ( -9.092 -4.997 -0.000) 10.375 6.137 ( -4.497 0.090 0.000) 4.498 6.174 ( -0.154 1.986 0.000) 1.991 6.256 ( -0.883 -2.362 -0.000) 2.522 6.272 ( -1.332 -2.820 0.000) 3.118 6.378 ( -4.655 5.208 0.000) 6.985 6.397 ( -10.496 1.357 -0.000) 10.584 6.480 ( -4.274 0.819 0.000) 4.352 6.488 ( -3.571 -1.295 -0.000) 3.799 6.538 ( -10.024 -2.823 -0.000) 10.414 6.546 ( -0.756 -6.438 0.000) 6.482 6.682 ( -4.252 -3.648 0.000) 5.603 6.730 ( 4.187 -10.994 0.000) 11.764 6.878 ( 7.187 -4.858 0.000) 8.675 6.930 ( 2.822 2.958 0.000) 4.088 7.008 ( 4.210 3.191 0.000) 5.283 7.073 ( -0.935 -10.690 0.000) 10.730 7.156 ( 4.826 4.396 -0.000) 6.528 7.210 ( -7.487 8.811 0.000) 11.563 7.267 ( 5.838 -5.459 0.000) 7.993 7.347 ( 2.683 1.616 0.000) 3.132 7.553 ( -3.483 -1.295 -0.000) 3.716 7.561 ( -5.007 -3.355 0.000) 6.028 7.686 ( 2.841 8.313 0.000) 8.785 7.730 ( 8.377 12.622 -0.000) 15.149 7.887 ( -2.067 6.485 0.000) 6.806 8.012 ( -3.873 -3.479 0.000) 5.206 8.034 ( 6.560 4.230 0.000) 7.805 8.067 ( 8.548 -6.218 0.000) 10.570 8.238 ( -2.627 -1.693 0.000) 3.125 8.284 ( -0.633 1.663 0.000) 1.779 8.444 ( 4.719 -4.841 0.000) 6.760 8.528 ( 0.966 -5.968 -0.000) 6.045 8.629 ( 3.433 2.900 0.000) 4.494 8.756 ( 1.404 1.961 0.000) 2.411 8.846 ( -9.971 -4.250 -0.000) 10.839 8.856 ( -3.514 -2.658 0.000) 4.406 9.028 ( 4.018 1.733 0.000) 4.376 9.046 ( 5.702 6.426 0.000) 8.591 9.236 ( -2.335 9.575 -0.000) 9.855 9.263 ( -1.105 6.518 0.000) 6.611 9.484 ( -2.333 -1.254 0.000) 2.649 9.544 ( -0.272 0.428 0.000) 0.507 9.615 ( -0.802 -0.476 0.000) 0.932 9.681 ( 1.268 1.741 0.000) 2.154 9.751 ( 4.537 -0.195 0.000) 4.541 9.771 ( -6.262 -3.000 0.000) 6.943 9.804 ( 1.687 -2.006 -0.000) 2.621 9.832 ( -1.536 -1.403 0.000) 2.080 9.886 ( -1.224 -2.060 0.000) 2.396 9.912 ( 4.736 -4.399 -0.000) 6.464 10.020 ( -3.070 -0.632 0.000) 3.134 10.029 ( 0.642 3.165 0.000) 3.230 10.110 ( -5.277 -2.611 0.000) 5.888 10.188 ( 0.395 -0.171 0.000) 0.430 10.244 ( 0.593 -1.552 0.000) 1.662 10.249 ( 2.463 -1.323 -0.000) 2.796 10.329 ( 1.048 -2.412 0.000) 2.630 10.374 ( -1.786 -2.063 0.000) 2.729 10.597 ( -15.774 -0.731 0.000) 15.791 10.659 ( -13.037 -2.006 0.000) 13.190 10.964 ( -4.864 -1.192 0.000) 5.007 10.966 ( -4.585 -3.192 0.000) 5.587 10.995 ( -0.010 2.766 0.000) 2.766 11.125 ( -2.297 -6.674 0.000) 7.058 11.211 ( -1.713 5.383 0.000) 5.649 11.241 ( 0.854 0.715 0.000) 1.114 11.301 ( -0.053 2.104 0.000) 2.104 11.352 ( -0.005 3.411 0.000) 3.411 11.362 ( -2.708 0.415 -0.000) 2.739 11.498 ( -3.827 1.549 0.000) 4.129 11.633 ( 1.322 -4.354 0.000) 4.551 11.670 ( 4.288 -3.196 0.000) 5.348 11.797 ( -6.357 0.326 0.000) 6.365 11.845 ( -3.253 0.877 0.000) 3.369 11.862 ( 3.203 4.010 0.000) 5.133 11.879 ( -0.034 3.111 0.000) 3.111 11.902 ( -1.688 1.029 0.000) 1.977 11.993 ( 4.124 1.149 0.000) 4.282 12.000 ( 1.697 -0.262 0.000) 1.717 12.064 ( 2.468 0.347 0.000) 2.492 12.080 ( -1.028 5.638 0.000) 5.731 12.102 ( -3.448 6.103 -0.000) 7.010 12.202 ( -5.651 -3.628 0.000) 6.715 12.329 ( -2.474 -4.201 0.000) 4.876 12.345 ( 1.821 -5.590 0.000) 5.879 12.397 ( -7.617 -1.450 0.000) 7.754 12.477 ( -2.495 0.083 0.000) 2.497 12.527 ( -2.502 -3.568 0.000) 4.357 12.613 ( -0.154 2.286 0.000) 2.291 12.719 ( -1.896 -0.994 -0.000) 2.141 12.737 ( 2.935 -0.245 0.000) 2.945 12.755 ( 1.926 -0.531 0.000) 1.998 12.844 ( -2.057 3.044 0.000) 3.673 12.890 ( -2.493 0.569 0.000) 2.557 12.952 ( 0.078 -2.352 0.000) 2.354 12.963 ( -4.652 0.722 0.000) 4.708 13.031 ( -4.923 2.176 -0.000) 5.383 13.117 ( -6.025 1.113 0.000) 6.126 13.318 ( 7.685 0.770 0.000) 7.723 13.325 ( 12.055 1.435 0.000) 12.140 13.395 ( 5.643 0.172 0.000) 5.646 13.520 ( 4.241 2.520 0.000) 4.933 13.571 ( 4.854 0.236 0.000) 4.860 13.583 ( 5.917 -1.262 -0.000) 6.050 13.695 ( 3.867 3.731 0.000) 5.373 13.749 ( 0.147 6.145 0.000) 6.146 14.010 ( 1.519 -6.620 0.000) 6.792 14.011 ( -3.659 0.152 -0.000) 3.662 14.105 ( 5.104 -7.920 0.000) 9.422 14.183 ( -1.260 3.292 0.000) 3.525 14.221 ( 2.551 -7.000 0.000) 7.450 14.242 ( -3.225 2.997 0.000) 4.403 14.448 ( 1.783 -5.628 0.000) 5.904 14.505 ( -1.058 3.891 0.000) 4.032 14.546 ( 0.282 -1.963 0.000) 1.983 14.602 ( 7.359 5.678 0.000) 9.295 14.869 ( 8.981 1.607 0.000) 9.123 14.933 ( 0.998 -3.049 0.000) 3.208 15.014 ( -5.301 3.543 0.000) 6.376 15.091 ( 1.183 0.703 0.000) 1.376 15.178 ( -4.603 -2.616 -0.000) 5.295 15.199 ( 1.218 -1.882 0.000) 2.242 15.290 ( -7.068 -1.609 -0.000) 7.248 15.307 ( -3.904 -1.865 0.000) 4.326 15.766 ( 0.714 2.733 0.000) 2.825 15.818 ( -5.374 3.140 0.000) 6.224 15.950 ( -2.566 -1.975 0.000) 3.238 15.960 ( -1.470 -3.401 0.000) 3.706 16.175 ( 1.362 3.777 0.000) 4.015 16.206 ( 0.340 2.667 -0.000) 2.689 16.346 ( 4.962 1.619 0.000) 5.220 16.350 ( 5.982 1.713 -0.000) 6.222 16.611 ( 1.932 -4.293 0.000) 4.708 16.631 ( 0.770 -3.971 0.000) 4.045 17.007 ( -1.872 1.680 0.000) 2.515 17.016 ( -2.286 1.736 -0.000) 2.870 17.118 ( 3.401 0.568 0.000) 3.448 17.137 ( 3.361 0.858 0.000) 3.469 17.360 ( -0.869 -3.224 0.000) 3.339 17.368 ( -1.783 -2.683 -0.000) 3.221 17.645 ( -0.461 2.184 0.000) 2.232 17.691 ( -2.704 3.175 0.000) 4.170 17.745 ( 2.643 -1.554 0.000) 3.066 17.777 ( 0.293 -0.342 -0.000) 0.450 18.508 ( 0.912 -0.108 0.000) 0.919 18.516 ( 0.624 -0.106 0.000) 0.633 19.724 ( -0.059 0.218 0.000) 0.226 19.730 ( -0.229 0.223 -0.000) 0.320 20.673 ( 2.190 -1.904 0.000) 2.902 20.735 ( -1.679 -5.291 0.000) 5.551 20.782 ( 6.996 2.794 0.000) 7.533 20.876 ( 6.256 -2.523 0.000) 6.746 21.030 ( -5.595 7.765 0.000) 9.571 21.103 ( -1.036 8.023 0.000) 8.089 21.329 ( -6.842 -7.492 0.000) 10.146 21.406 ( -7.624 -6.155 0.000) 9.798 21.651 ( 2.414 1.790 0.000) 3.005 21.693 ( 0.022 0.890 0.000) 0.891 22.100 ( -2.219 2.640 0.000) 3.449 22.103 ( -2.403 2.587 -0.000) 3.531 22.348 ( -2.415 -1.812 0.000) 3.019 22.348 ( -2.422 -1.811 -0.000) 3.024 25.263 ( -0.208 0.137 0.000) 0.249 25.263 ( -0.212 0.137 -0.000) 0.252 25.293 ( -1.069 -0.146 0.000) 1.079 25.294 ( -1.091 -0.146 -0.000) 1.100 29.052 ( 0.255 0.006 0.000) 0.255 29.052 ( 0.232 0.006 -0.000) 0.232 29.064 ( -0.895 -0.024 0.000) 0.895 29.065 ( -0.905 -0.023 -0.000) 0.905 30.116 ( 3.788 0.333 -0.000) 3.803 30.118 ( 3.714 0.345 0.000) 3.730 30.217 ( 4.386 -0.384 -0.000) 4.403 30.219 ( 4.339 -0.372 0.000) 4.355 34.346 ( -1.079 0.008 -0.000) 1.079 34.350 ( -1.305 0.006 0.000) 1.305 34.355 ( -0.949 0.012 0.000) 0.949 34.360 ( -1.206 0.010 0.000) 1.206 97.781 ( -0.090 -0.043 0.000) 0.100 97.784 ( -0.216 -0.089 -0.000) 0.234 97.790 ( -0.421 0.102 -0.000) 0.433 97.793 ( -0.573 0.055 0.000) 0.576 100.021 ( 1.140 -0.209 -0.000) 1.159 100.032 ( 0.733 -0.278 0.000) 0.784 100.107 ( -2.787 0.331 0.000) 2.807 100.117 ( -3.081 0.262 0.000) 3.092 ======================= Grid point 197 (66/72) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.192 ( -1.629 -0.714 0.000) 1.779 4.192 ( 1.629 -0.714 0.000) 1.779 4.576 ( -2.214 -0.334 0.000) 2.239 4.576 ( 2.214 -0.334 0.000) 2.239 4.666 ( -0.229 5.718 0.000) 5.722 4.666 ( 0.229 5.718 0.000) 5.722 4.861 ( -2.660 -3.966 0.000) 4.776 4.861 ( 2.660 -3.966 0.000) 4.776 4.962 ( -10.800 1.176 -0.000) 10.864 4.962 ( 10.800 1.176 0.000) 10.864 5.027 ( -2.870 -0.782 0.000) 2.975 5.027 ( 2.870 -0.782 0.000) 2.975 5.115 ( -5.455 -3.342 0.000) 6.398 5.115 ( 5.455 -3.342 -0.000) 6.398 5.274 ( -3.968 1.430 0.000) 4.218 5.274 ( 3.968 1.430 0.000) 4.218 5.414 ( -5.834 -6.339 0.000) 8.615 5.414 ( 5.834 -6.339 0.000) 8.615 5.561 ( -1.656 7.732 0.000) 7.907 5.561 ( 1.656 7.732 0.000) 7.907 5.695 ( -0.672 4.489 0.000) 4.539 5.695 ( 0.672 4.489 0.000) 4.539 5.791 ( -0.172 -1.500 0.000) 1.509 5.791 ( 0.172 -1.500 0.000) 1.509 6.047 ( -2.863 1.846 -0.000) 3.407 6.047 ( 2.863 1.846 0.000) 3.407 6.281 ( -1.433 -1.798 0.000) 2.299 6.281 ( 1.433 -1.798 0.000) 2.299 6.357 ( -3.675 1.009 0.000) 3.811 6.357 ( 3.675 1.009 -0.000) 3.811 6.415 ( -7.373 -0.652 0.000) 7.402 6.415 ( 7.373 -0.652 0.000) 7.402 6.471 ( -0.529 -0.955 0.000) 1.091 6.471 ( 0.529 -0.955 0.000) 1.091 6.733 ( -4.068 -9.000 0.000) 9.877 6.733 ( 4.068 -9.000 0.000) 9.877 7.004 ( -5.570 1.394 0.000) 5.742 7.004 ( 5.570 1.395 -0.000) 5.742 7.012 ( -4.675 -4.678 -0.000) 6.614 7.012 ( 4.675 -4.678 0.000) 6.614 7.161 ( -5.733 1.993 0.000) 6.070 7.161 ( 5.733 1.993 0.000) 6.070 7.333 ( -0.609 0.601 0.000) 0.856 7.333 ( 0.609 0.601 0.000) 0.856 7.521 ( -1.032 -2.285 0.000) 2.508 7.521 ( 1.032 -2.285 0.000) 2.508 7.761 ( -0.036 14.536 0.000) 14.536 7.761 ( 0.036 14.536 0.000) 14.536 7.943 ( -7.548 -1.520 0.000) 7.700 7.943 ( 7.548 -1.520 0.000) 7.700 8.193 ( -0.981 -6.414 -0.000) 6.489 8.193 ( 0.981 -6.414 0.000) 6.489 8.242 ( -7.867 9.471 0.000) 12.312 8.242 ( 7.867 9.471 -0.000) 12.312 8.541 ( -5.243 -1.066 0.000) 5.351 8.541 ( 5.243 -1.066 -0.000) 5.351 8.636 ( -8.936 -7.237 0.000) 11.499 8.636 ( 8.936 -7.237 0.000) 11.499 8.774 ( -1.690 -6.199 0.000) 6.426 8.774 ( 1.690 -6.199 0.000) 6.426 9.120 ( -3.151 5.183 0.000) 6.065 9.120 ( 3.151 5.183 0.000) 6.065 9.207 ( -4.711 7.834 0.000) 9.141 9.207 ( 4.711 7.834 0.000) 9.141 9.507 ( -4.078 2.145 0.000) 4.608 9.507 ( 4.078 2.145 0.000) 4.608 9.650 ( -3.601 -0.788 0.000) 3.686 9.650 ( 3.601 -0.788 0.000) 3.686 9.774 ( -3.805 4.358 0.000) 5.786 9.774 ( 3.806 4.358 0.000) 5.786 9.800 ( -0.626 -3.467 0.000) 3.523 9.800 ( 0.626 -3.467 0.000) 3.523 9.914 ( -3.780 -0.102 0.000) 3.781 9.914 ( 3.780 -0.102 0.000) 3.781 10.021 ( -2.528 -3.131 -0.000) 4.024 10.021 ( 2.528 -3.131 -0.000) 4.024 10.141 ( -7.061 -5.818 0.000) 9.149 10.141 ( 7.061 -5.818 0.000) 9.149 10.260 ( -3.179 0.148 0.000) 3.182 10.260 ( 3.179 0.148 0.000) 3.182 10.351 ( -0.681 -1.248 -0.000) 1.422 10.351 ( 0.681 -1.248 0.000) 1.422 10.457 ( -4.993 -1.379 0.000) 5.180 10.457 ( 4.993 -1.379 0.000) 5.180 10.912 ( -0.088 -3.413 0.000) 3.414 10.912 ( 0.088 -3.413 0.000) 3.414 11.035 ( -4.651 0.101 0.000) 4.652 11.035 ( 4.651 0.101 0.000) 4.652 11.252 ( -5.129 2.311 0.000) 5.625 11.252 ( 5.129 2.311 0.000) 5.625 11.284 ( -1.171 -1.266 0.000) 1.725 11.284 ( 1.171 -1.266 0.000) 1.725 11.424 ( -4.645 5.226 0.000) 6.992 11.424 ( 4.645 5.226 0.000) 6.992 11.686 ( -3.997 -2.211 0.000) 4.568 11.686 ( 3.997 -2.211 0.000) 4.568 11.749 ( -3.882 -3.606 0.000) 5.299 11.749 ( 3.882 -3.606 0.000) 5.299 11.881 ( -0.517 3.821 0.000) 3.856 11.881 ( 0.517 3.821 0.000) 3.856 11.951 ( -4.931 5.442 0.000) 7.343 11.951 ( 4.931 5.442 0.000) 7.343 12.042 ( -0.644 8.111 0.000) 8.137 12.042 ( 0.644 8.111 0.000) 8.137 12.081 ( -2.664 1.219 0.000) 2.930 12.081 ( 2.664 1.219 0.000) 2.930 12.246 ( -7.493 -6.009 0.000) 9.604 12.246 ( 7.493 -6.009 0.000) 9.604 12.354 ( -2.945 -8.307 0.000) 8.814 12.354 ( 2.945 -8.307 0.000) 8.814 12.464 ( -1.074 -3.846 0.000) 3.993 12.464 ( 1.074 -3.846 0.000) 3.993 12.666 ( -3.483 2.752 0.000) 4.439 12.666 ( 3.483 2.752 0.000) 4.439 12.793 ( -2.108 4.615 -0.000) 5.074 12.793 ( 2.108 4.615 0.000) 5.074 12.811 ( -3.524 -2.723 0.000) 4.453 12.811 ( 3.524 -2.723 0.000) 4.453 12.950 ( -2.443 2.595 0.000) 3.564 12.950 ( 2.443 2.595 -0.000) 3.564 13.009 ( -4.657 -0.962 0.000) 4.755 13.009 ( 4.657 -0.962 0.000) 4.755 13.413 ( -2.154 -0.257 0.000) 2.169 13.413 ( 2.154 -0.257 0.000) 2.169 13.488 ( -4.495 -3.377 0.000) 5.622 13.488 ( 4.495 -3.377 0.000) 5.622 13.691 ( -4.271 4.246 0.000) 6.022 13.691 ( 4.271 4.246 0.000) 6.022 13.724 ( -3.389 9.534 -0.000) 10.118 13.724 ( 3.389 9.534 0.000) 10.118 13.987 ( -1.628 -3.122 0.000) 3.521 13.987 ( 1.628 -3.122 0.000) 3.521 14.179 ( -1.309 5.061 -0.000) 5.228 14.179 ( 1.309 5.061 0.000) 5.228 14.248 ( -5.887 -12.786 0.000) 14.076 14.248 ( 5.887 -12.786 0.000) 14.076 14.387 ( -2.377 -5.298 0.000) 5.807 14.387 ( 2.377 -5.298 0.000) 5.807 14.705 ( -4.692 4.667 0.000) 6.617 14.705 ( 4.692 4.667 0.000) 6.617 14.921 ( -3.233 7.715 0.000) 8.365 14.921 ( 3.233 7.715 0.000) 8.365 15.025 ( -5.213 -6.241 0.000) 8.132 15.025 ( 5.213 -6.241 0.000) 8.132 15.158 ( -5.305 -1.668 0.000) 5.561 15.158 ( 5.305 -1.668 0.000) 5.561 15.255 ( -0.586 0.184 0.000) 0.614 15.255 ( 0.586 0.184 0.000) 0.614 15.765 ( -0.433 1.863 0.000) 1.913 15.765 ( 0.433 1.863 0.000) 1.913 15.940 ( -0.661 -3.181 0.000) 3.249 15.940 ( 0.661 -3.181 0.000) 3.249 16.197 ( -0.902 4.793 0.000) 4.877 16.197 ( 0.902 4.793 0.000) 4.877 16.405 ( -0.392 -0.425 0.000) 0.578 16.405 ( 0.392 -0.425 0.000) 0.578 16.636 ( -0.491 -3.256 0.000) 3.293 16.636 ( 0.491 -3.256 0.000) 3.293 16.989 ( -0.258 2.009 0.000) 2.025 16.989 ( 0.258 2.009 -0.000) 2.025 17.163 ( -0.751 1.373 0.000) 1.566 17.163 ( 0.751 1.373 0.000) 1.566 17.348 ( -0.041 -3.084 0.000) 3.084 17.348 ( 0.041 -3.084 0.000) 3.084 17.642 ( -1.302 0.702 0.000) 1.479 17.642 ( 1.302 0.702 0.000) 1.479 17.787 ( -0.654 0.508 0.000) 0.828 17.787 ( 0.654 0.508 0.000) 0.828 18.520 ( -0.205 -0.071 0.000) 0.217 18.520 ( 0.205 -0.071 0.000) 0.217 19.726 ( -0.196 0.047 0.000) 0.201 19.726 ( 0.196 0.047 0.000) 0.201 20.705 ( -1.431 -3.717 0.000) 3.983 20.705 ( 1.431 -3.717 0.000) 3.983 20.915 ( -6.521 4.900 0.000) 8.157 20.915 ( 6.521 4.900 0.000) 8.157 21.013 ( -7.306 1.278 0.000) 7.417 21.013 ( 7.306 1.278 0.000) 7.417 21.290 ( -3.017 -3.486 0.000) 4.610 21.290 ( 3.017 -3.486 0.000) 4.610 21.690 ( -0.959 0.468 0.000) 1.067 21.690 ( 0.959 0.468 0.000) 1.067 22.079 ( -0.079 1.998 0.000) 2.000 22.079 ( 0.079 1.998 0.000) 2.000 22.324 ( -0.004 -1.559 0.000) 1.559 22.324 ( 0.004 -1.559 0.000) 1.559 25.261 ( -0.009 0.100 0.000) 0.101 25.261 ( 0.009 0.100 0.000) 0.101 25.283 ( -0.001 -0.096 0.000) 0.096 25.283 ( 0.001 -0.096 0.000) 0.096 29.055 ( -0.027 -0.023 0.000) 0.035 29.055 ( 0.027 -0.023 0.000) 0.035 29.056 ( -0.031 0.015 0.000) 0.034 29.056 ( 0.031 0.015 0.000) 0.034 30.154 ( -0.057 0.283 0.000) 0.288 30.154 ( 0.057 0.283 0.000) 0.288 30.261 ( -0.047 -0.296 0.000) 0.300 30.261 ( 0.047 -0.296 0.000) 0.300 34.336 ( -0.113 -0.079 -0.000) 0.138 34.336 ( 0.113 -0.079 0.000) 0.138 34.347 ( -0.123 0.085 0.000) 0.150 34.347 ( 0.123 0.085 0.000) 0.150 97.781 ( -0.072 -0.021 0.000) 0.075 97.781 ( 0.072 -0.021 0.000) 0.075 97.786 ( -0.080 0.033 0.000) 0.086 97.786 ( 0.080 0.033 0.000) 0.086 100.044 ( -0.610 -0.391 -0.000) 0.725 100.044 ( 0.610 -0.391 0.000) 0.725 100.075 ( -0.576 0.414 0.000) 0.709 100.075 ( 0.576 0.414 0.000) 0.709 ======================= Grid point 209 (67/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 0.000 0.000 -0.000) 0.000 2.701 ( 0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 -0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 3.093 ( 0.000 -0.000 -0.000) 0.000 3.093 ( 0.000 -0.000 0.000) 0.000 3.482 ( 0.000 -0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.505 ( 0.000 0.000 0.000) 0.000 4.884 ( 0.000 -0.000 0.000) 0.000 4.884 ( 0.000 0.000 0.000) 0.000 4.990 ( 0.000 -0.000 -0.000) 0.000 4.990 ( 0.000 0.000 -0.000) 0.000 5.021 ( 0.000 -0.000 -0.000) 0.000 5.021 ( 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 5.331 ( 0.000 -0.000 0.000) 0.000 5.331 ( 0.000 -0.000 0.000) 0.000 5.580 ( 0.000 -0.000 -0.000) 0.000 5.580 ( 0.000 -0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.010 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.272 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 6.705 ( 0.000 0.000 -0.000) 0.000 6.705 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.027 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 -0.000) 0.000 7.601 ( 0.000 -0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 7.664 ( 0.000 -0.000 -0.000) 0.000 7.664 ( 0.000 0.000 -0.000) 0.000 7.776 ( 0.000 0.000 -0.000) 0.000 7.776 ( 0.000 -0.000 0.000) 0.000 8.011 ( 0.000 0.000 -0.000) 0.000 8.011 ( 0.000 0.000 -0.000) 0.000 8.026 ( 0.000 0.000 0.000) 0.000 8.026 ( 0.000 -0.000 0.000) 0.000 8.104 ( 0.000 -0.000 -0.000) 0.000 8.104 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.285 ( 0.000 0.000 -0.000) 0.000 8.285 ( 0.000 0.000 -0.000) 0.000 8.568 ( 0.000 0.000 -0.000) 0.000 8.568 ( 0.000 0.000 0.000) 0.000 8.569 ( 0.000 -0.000 -0.000) 0.000 8.569 ( 0.000 -0.000 0.000) 0.000 8.693 ( 0.000 -0.000 -0.000) 0.000 8.693 ( 0.000 0.000 -0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 8.735 ( 0.000 -0.000 0.000) 0.000 9.250 ( 0.000 -0.000 -0.000) 0.000 9.250 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 9.575 ( 0.000 0.000 0.000) 0.000 9.575 ( 0.000 0.000 0.000) 0.000 9.733 ( 0.000 0.000 0.000) 0.000 9.733 ( 0.000 0.000 0.000) 0.000 9.794 ( 0.000 0.000 0.000) 0.000 9.794 ( 0.000 0.000 0.000) 0.000 9.969 ( 0.000 0.000 0.000) 0.000 9.969 ( 0.000 0.000 0.000) 0.000 10.308 ( 0.000 0.000 0.000) 0.000 10.308 ( 0.000 0.000 0.000) 0.000 10.456 ( 0.000 -0.000 -0.000) 0.000 10.456 ( 0.000 0.000 0.000) 0.000 10.470 ( 0.000 0.000 -0.000) 0.000 10.470 ( 0.000 0.000 0.000) 0.000 10.591 ( 0.000 0.000 0.000) 0.000 10.591 ( 0.000 -0.000 0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 10.861 ( 0.000 -0.000 0.000) 0.000 10.861 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.047 ( 0.000 0.000 0.000) 0.000 11.296 ( 0.000 -0.000 0.000) 0.000 11.296 ( 0.000 0.000 0.000) 0.000 11.333 ( 0.000 -0.000 0.000) 0.000 11.333 ( 0.000 0.000 0.000) 0.000 11.349 ( 0.000 -0.000 -0.000) 0.000 11.349 ( 0.000 0.000 -0.000) 0.000 11.568 ( 0.000 0.000 0.000) 0.000 11.568 ( 0.000 0.000 0.000) 0.000 11.679 ( 0.000 0.000 -0.000) 0.000 11.679 ( 0.000 0.000 0.000) 0.000 11.740 ( 0.000 -0.000 -0.000) 0.000 11.740 ( 0.000 0.000 0.000) 0.000 11.807 ( 0.000 0.000 0.000) 0.000 11.807 ( 0.000 -0.000 0.000) 0.000 12.053 ( 0.000 0.000 0.000) 0.000 12.053 ( 0.000 0.000 0.000) 0.000 12.106 ( 0.000 0.000 0.000) 0.000 12.106 ( 0.000 0.000 0.000) 0.000 12.489 ( 0.000 0.000 0.000) 0.000 12.489 ( 0.000 0.000 0.000) 0.000 12.560 ( 0.000 0.000 0.000) 0.000 12.560 ( 0.000 0.000 0.000) 0.000 12.781 ( 0.000 0.000 0.000) 0.000 12.781 ( 0.000 0.000 0.000) 0.000 12.901 ( 0.000 -0.000 0.000) 0.000 12.901 ( 0.000 -0.000 0.000) 0.000 12.919 ( 0.000 -0.000 -0.000) 0.000 12.919 ( 0.000 0.000 -0.000) 0.000 12.967 ( 0.000 0.000 0.000) 0.000 12.967 ( 0.000 0.000 0.000) 0.000 13.077 ( 0.000 0.000 0.000) 0.000 13.077 ( 0.000 0.000 0.000) 0.000 13.160 ( 0.000 -0.000 -0.000) 0.000 13.160 ( 0.000 0.000 -0.000) 0.000 13.181 ( 0.000 -0.000 0.000) 0.000 13.181 ( 0.000 0.000 0.000) 0.000 13.398 ( 0.000 0.000 -0.000) 0.000 13.398 ( 0.000 0.000 -0.000) 0.000 13.552 ( 0.000 0.000 0.000) 0.000 13.552 ( 0.000 0.000 0.000) 0.000 13.623 ( 0.000 0.000 0.000) 0.000 13.623 ( 0.000 0.000 0.000) 0.000 13.710 ( 0.000 -0.000 0.000) 0.000 13.710 ( 0.000 0.000 0.000) 0.000 14.051 ( 0.000 -0.000 0.000) 0.000 14.051 ( 0.000 -0.000 0.000) 0.000 14.060 ( 0.000 0.000 0.000) 0.000 14.060 ( 0.000 0.000 -0.000) 0.000 14.364 ( 0.000 0.000 0.000) 0.000 14.364 ( 0.000 0.000 0.000) 0.000 14.739 ( 0.000 -0.000 -0.000) 0.000 14.739 ( 0.000 0.000 -0.000) 0.000 14.755 ( 0.000 -0.000 0.000) 0.000 14.755 ( 0.000 0.000 0.000) 0.000 14.870 ( 0.000 0.000 0.000) 0.000 14.870 ( 0.000 0.000 0.000) 0.000 15.350 ( 0.000 -0.000 -0.000) 0.000 15.350 ( 0.000 0.000 0.000) 0.000 15.410 ( 0.000 -0.000 0.000) 0.000 15.410 ( 0.000 0.000 0.000) 0.000 15.632 ( 0.000 0.000 0.000) 0.000 15.632 ( 0.000 0.000 0.000) 0.000 15.875 ( 0.000 0.000 0.000) 0.000 15.875 ( 0.000 0.000 0.000) 0.000 16.162 ( 0.000 0.000 0.000) 0.000 16.162 ( 0.000 0.000 0.000) 0.000 16.341 ( 0.000 0.000 0.000) 0.000 16.341 ( 0.000 0.000 0.000) 0.000 16.482 ( 0.000 0.000 0.000) 0.000 16.482 ( 0.000 0.000 0.000) 0.000 16.896 ( 0.000 0.000 -0.000) 0.000 16.896 ( 0.000 0.000 0.000) 0.000 17.117 ( 0.000 -0.000 -0.000) 0.000 17.117 ( 0.000 0.000 0.000) 0.000 17.220 ( 0.000 0.000 0.000) 0.000 17.220 ( 0.000 -0.000 0.000) 0.000 17.500 ( 0.000 0.000 0.000) 0.000 17.500 ( 0.000 0.000 0.000) 0.000 18.454 ( 0.000 0.000 0.000) 0.000 18.454 ( 0.000 0.000 0.000) 0.000 18.673 ( 0.000 0.000 0.000) 0.000 18.673 ( 0.000 0.000 0.000) 0.000 19.582 ( 0.000 0.000 0.000) 0.000 19.582 ( 0.000 0.000 0.000) 0.000 20.352 ( 0.000 0.000 0.000) 0.000 20.352 ( 0.000 0.000 0.000) 0.000 20.576 ( 0.000 -0.000 0.000) 0.000 20.576 ( 0.000 0.000 0.000) 0.000 20.964 ( 0.000 0.000 0.000) 0.000 20.964 ( 0.000 0.000 0.000) 0.000 21.555 ( 0.000 0.000 0.000) 0.000 21.555 ( 0.000 0.000 0.000) 0.000 22.039 ( 0.000 0.000 0.000) 0.000 22.039 ( 0.000 0.000 0.000) 0.000 22.528 ( 0.000 -0.000 0.000) 0.000 22.528 ( 0.000 0.000 0.000) 0.000 22.575 ( 0.000 -0.000 -0.000) 0.000 22.575 ( 0.000 0.000 -0.000) 0.000 25.312 ( 0.000 0.000 0.000) 0.000 25.312 ( 0.000 0.000 0.000) 0.000 25.448 ( 0.000 -0.000 0.000) 0.000 25.448 ( 0.000 0.000 0.000) 0.000 29.030 ( 0.000 0.000 0.000) 0.000 29.030 ( 0.000 0.000 0.000) 0.000 29.180 ( 0.000 0.000 0.000) 0.000 29.180 ( 0.000 0.000 0.000) 0.000 29.673 ( 0.000 0.000 0.000) 0.000 29.673 ( 0.000 0.000 0.000) 0.000 29.701 ( 0.000 0.000 -0.000) 0.000 29.701 ( 0.000 0.000 0.000) 0.000 34.464 ( 0.000 -0.000 -0.000) 0.000 34.464 ( 0.000 0.000 -0.000) 0.000 34.469 ( 0.000 -0.000 0.000) 0.000 34.469 ( 0.000 0.000 0.000) 0.000 97.812 ( 0.000 0.000 0.000) 0.000 97.812 ( 0.000 0.000 0.000) 0.000 97.881 ( 0.000 0.000 0.000) 0.000 97.881 ( 0.000 0.000 0.000) 0.000 100.051 ( 0.000 0.000 0.000) 0.000 100.051 ( 0.000 0.000 0.000) 0.000 100.294 ( 0.000 0.000 0.000) 0.000 100.294 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 213 (68/72) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 15.050 -2.618 0.000) 15.276 2.865 ( 15.050 2.618 0.000) 15.276 3.055 ( 9.409 -17.811 0.000) 20.143 3.055 ( 9.409 17.811 0.000) 20.143 3.128 ( 5.521 -21.495 -0.000) 22.193 3.128 ( 5.521 21.495 -0.000) 22.193 3.529 ( 6.444 -5.329 0.000) 8.362 3.529 ( 6.444 5.329 0.000) 8.362 4.634 ( 8.308 -0.190 0.000) 8.310 4.634 ( 8.308 0.190 0.000) 8.310 4.965 ( 7.610 -3.023 0.000) 8.188 4.965 ( 7.610 3.023 0.000) 8.188 5.065 ( 10.026 -10.207 -0.000) 14.307 5.065 ( 10.026 10.207 0.000) 14.307 5.157 ( 10.879 -5.645 0.000) 12.256 5.157 ( 10.879 5.645 0.000) 12.256 5.159 ( 5.760 -3.825 -0.000) 6.914 5.159 ( 5.760 3.825 -0.000) 6.914 5.472 ( 10.620 -16.601 0.000) 19.707 5.472 ( 10.620 16.601 -0.000) 19.707 5.624 ( 4.879 -0.907 0.000) 4.962 5.624 ( 4.879 0.907 0.000) 4.962 6.022 ( 1.442 -0.509 0.000) 1.529 6.022 ( 1.442 0.509 0.000) 1.529 6.179 ( -6.843 -1.146 0.000) 6.938 6.179 ( -6.843 1.146 0.000) 6.938 6.445 ( 2.844 -4.512 0.000) 5.334 6.445 ( 2.844 4.512 0.000) 5.334 6.534 ( -2.446 -6.199 0.000) 6.665 6.534 ( -2.446 6.199 0.000) 6.665 6.745 ( 2.407 -0.209 0.000) 2.416 6.745 ( 2.407 0.209 -0.000) 2.416 6.871 ( -6.154 -0.877 0.000) 6.216 6.871 ( -6.154 0.877 0.000) 6.216 7.020 ( -0.514 -1.497 0.000) 1.583 7.020 ( -0.514 1.497 0.000) 1.583 7.181 ( -7.533 -4.217 0.000) 8.633 7.181 ( -7.533 4.217 0.000) 8.633 7.469 ( -9.376 -5.386 0.000) 10.813 7.469 ( -9.376 5.386 0.000) 10.813 7.540 ( -11.380 -2.450 -0.000) 11.641 7.540 ( -11.380 2.450 0.000) 11.641 7.687 ( -11.050 -0.132 0.000) 11.051 7.687 ( -11.050 0.132 0.000) 11.051 7.798 ( -17.419 -1.143 0.000) 17.456 7.798 ( -17.419 1.143 -0.000) 17.456 7.903 ( -5.342 -5.657 -0.000) 7.781 7.903 ( -5.342 5.657 0.000) 7.781 8.118 ( -3.075 -3.506 0.000) 4.663 8.118 ( -3.075 3.506 0.000) 4.663 8.264 ( 1.862 -5.252 0.000) 5.572 8.264 ( 1.862 5.252 0.000) 5.572 8.311 ( 2.048 -0.890 -0.000) 2.233 8.311 ( 2.048 0.890 0.000) 2.233 8.508 ( 1.013 -1.449 0.000) 1.768 8.508 ( 1.013 1.449 0.000) 1.768 8.630 ( -1.913 -9.783 0.000) 9.968 8.630 ( -1.913 9.783 0.000) 9.968 8.751 ( 0.744 -0.704 0.000) 1.025 8.751 ( 0.744 0.704 0.000) 1.025 8.870 ( 14.467 -3.649 -0.000) 14.920 8.870 ( 14.467 3.649 0.000) 14.920 9.178 ( -5.738 -3.986 0.000) 6.987 9.178 ( -5.738 3.986 0.000) 6.987 9.453 ( -3.382 -2.799 0.000) 4.390 9.453 ( -3.382 2.799 0.000) 4.390 9.704 ( 8.019 -2.838 0.000) 8.506 9.704 ( 8.019 2.838 0.000) 8.506 9.721 ( -0.178 -4.235 0.000) 4.239 9.721 ( -0.178 4.235 0.000) 4.239 9.838 ( 4.070 -2.032 0.000) 4.549 9.838 ( 4.070 2.032 0.000) 4.549 9.922 ( -3.545 -2.277 0.000) 4.213 9.922 ( -3.545 2.277 0.000) 4.213 10.205 ( -6.482 -3.855 0.000) 7.542 10.205 ( -6.482 3.855 0.000) 7.542 10.323 ( -6.066 -0.164 0.000) 6.068 10.323 ( -6.066 0.164 0.000) 6.068 10.443 ( -6.448 -0.120 0.000) 6.449 10.443 ( -6.448 0.120 0.000) 6.449 10.509 ( -3.345 -1.528 0.000) 3.677 10.509 ( -3.345 1.528 0.000) 3.677 10.854 ( 9.749 -0.501 0.000) 9.762 10.854 ( 9.749 0.501 0.000) 9.762 10.948 ( 6.796 -0.994 0.000) 6.869 10.948 ( 6.796 0.994 -0.000) 6.869 11.066 ( 1.966 -3.760 0.000) 4.243 11.066 ( 1.966 3.760 0.000) 4.243 11.275 ( 0.510 -2.508 0.000) 2.560 11.275 ( 0.510 2.508 0.000) 2.560 11.348 ( -0.375 -0.682 0.000) 0.778 11.348 ( -0.375 0.682 -0.000) 0.778 11.404 ( 3.128 -1.509 0.000) 3.473 11.404 ( 3.128 1.509 -0.000) 3.473 11.608 ( -6.486 -1.900 0.000) 6.759 11.608 ( -6.486 1.900 0.000) 6.759 11.646 ( 10.770 -2.734 0.000) 11.111 11.646 ( 10.770 2.734 0.000) 11.111 11.778 ( 2.226 -2.589 0.000) 3.415 11.778 ( 2.226 2.589 0.000) 3.415 11.876 ( 6.650 -0.451 0.000) 6.665 11.876 ( 6.650 0.451 0.000) 6.665 12.076 ( 1.323 -1.647 0.000) 2.113 12.076 ( 1.323 1.647 0.000) 2.113 12.127 ( 2.816 -3.127 -0.000) 4.208 12.127 ( 2.816 3.127 0.000) 4.208 12.381 ( -10.815 -2.242 0.000) 11.045 12.381 ( -10.815 2.242 0.000) 11.045 12.496 ( -2.823 -3.828 0.000) 4.756 12.496 ( -2.823 3.828 0.000) 4.756 12.749 ( -3.438 -3.479 0.000) 4.891 12.749 ( -3.438 3.479 0.000) 4.891 12.804 ( -7.076 -3.226 0.000) 7.777 12.804 ( -7.076 3.226 0.000) 7.777 12.950 ( -0.111 -2.889 0.000) 2.891 12.950 ( -0.111 2.889 0.000) 2.891 12.991 ( 1.334 -1.723 0.000) 2.179 12.991 ( 1.334 1.723 0.000) 2.179 13.062 ( -2.673 -2.024 0.000) 3.353 13.062 ( -2.673 2.024 -0.000) 3.353 13.076 ( -3.829 -0.838 0.000) 3.920 13.076 ( -3.829 0.838 -0.000) 3.920 13.212 ( 0.895 -2.448 0.000) 2.606 13.212 ( 0.895 2.448 0.000) 2.606 13.439 ( 2.505 -1.824 -0.000) 3.099 13.439 ( 2.505 1.824 0.000) 3.099 13.578 ( 4.781 -0.243 0.000) 4.787 13.578 ( 4.781 0.243 0.000) 4.787 13.688 ( -2.552 -2.310 0.000) 3.442 13.688 ( -2.552 2.310 0.000) 3.442 13.755 ( 1.217 -5.759 0.000) 5.886 13.755 ( 1.217 5.759 0.000) 5.886 13.873 ( -3.076 -6.926 0.000) 7.578 13.873 ( -3.076 6.926 0.000) 7.578 14.135 ( 6.717 -4.562 0.000) 8.120 14.135 ( 6.717 4.562 0.000) 8.120 14.397 ( -5.051 -4.179 0.000) 6.556 14.397 ( -5.051 4.179 0.000) 6.556 14.636 ( -1.574 -6.158 0.000) 6.356 14.636 ( -1.574 6.158 0.000) 6.356 14.720 ( -0.944 -4.635 0.000) 4.730 14.720 ( -0.944 4.635 0.000) 4.730 14.981 ( 4.714 -1.560 0.000) 4.966 14.981 ( 4.714 1.560 0.000) 4.966 15.328 ( -1.801 -6.970 0.000) 7.199 15.328 ( -1.801 6.970 0.000) 7.199 15.393 ( -1.267 -6.606 0.000) 6.727 15.393 ( -1.267 6.606 0.000) 6.727 15.688 ( 5.654 -0.868 0.000) 5.720 15.688 ( 5.654 0.868 0.000) 5.720 15.983 ( 8.538 -0.118 -0.000) 8.538 15.983 ( 8.538 0.118 0.000) 8.538 16.126 ( -3.068 -0.025 0.000) 3.068 16.126 ( -3.068 0.025 0.000) 3.068 16.336 ( -0.785 -2.177 0.000) 2.314 16.336 ( -0.785 2.177 0.000) 2.314 16.470 ( -1.260 -2.933 0.000) 3.193 16.470 ( -1.260 2.933 0.000) 3.193 16.888 ( 0.422 -2.446 0.000) 2.482 16.888 ( 0.422 2.446 0.000) 2.482 17.154 ( 0.922 -2.642 0.000) 2.798 17.154 ( 0.922 2.642 0.000) 2.798 17.247 ( 4.894 -1.507 0.000) 5.121 17.247 ( 4.894 1.507 0.000) 5.121 17.483 ( -1.714 -0.487 0.000) 1.782 17.483 ( -1.714 0.487 0.000) 1.782 18.433 ( -16.826 -0.477 0.000) 16.832 18.433 ( -16.826 0.477 0.000) 16.832 18.460 ( -1.639 -1.397 0.000) 2.153 18.460 ( -1.639 1.397 0.000) 2.153 19.688 ( 6.101 -0.833 0.000) 6.157 19.688 ( 6.101 0.833 0.000) 6.157 20.440 ( 8.017 -0.202 0.000) 8.020 20.440 ( 8.017 0.202 0.000) 8.020 20.588 ( 1.335 -3.478 0.000) 3.725 20.588 ( 1.335 3.478 0.000) 3.725 21.002 ( 4.070 -7.643 0.000) 8.659 21.002 ( 4.070 7.643 0.000) 8.659 21.520 ( -3.518 -4.007 0.000) 5.332 21.520 ( -3.518 4.007 0.000) 5.332 21.994 ( -4.532 -0.097 0.000) 4.533 21.994 ( -4.532 0.097 0.000) 4.533 22.503 ( -2.378 -0.933 0.000) 2.554 22.503 ( -2.378 0.933 0.000) 2.554 22.511 ( -6.145 -1.136 -0.000) 6.249 22.511 ( -6.145 1.136 -0.000) 6.249 25.304 ( -0.746 -0.026 0.000) 0.746 25.304 ( -0.746 0.026 0.000) 0.746 25.423 ( -2.386 -0.098 0.000) 2.388 25.423 ( -2.386 0.098 0.000) 2.388 29.033 ( 0.282 -0.064 0.000) 0.289 29.033 ( 0.282 0.064 0.000) 0.289 29.164 ( -1.582 -0.190 0.000) 1.593 29.164 ( -1.582 0.190 0.000) 1.593 29.744 ( 6.647 -0.340 -0.000) 6.655 29.744 ( 6.647 0.340 0.000) 6.655 29.756 ( 5.616 -0.383 0.000) 5.629 29.756 ( 5.616 0.383 -0.000) 5.629 34.451 ( -1.223 -0.573 -0.000) 1.351 34.451 ( -1.223 0.573 0.000) 1.351 34.456 ( -1.311 -0.463 0.000) 1.390 34.456 ( -1.311 0.463 0.000) 1.390 97.806 ( -0.522 -0.228 0.000) 0.570 97.806 ( -0.522 0.228 0.000) 0.570 97.866 ( -1.377 -0.361 0.000) 1.423 97.866 ( -1.377 0.361 0.000) 1.423 100.039 ( -1.030 -1.477 0.000) 1.800 100.039 ( -1.030 1.477 0.000) 1.800 100.282 ( -1.290 -0.986 0.000) 1.623 100.282 ( -1.290 0.986 0.000) 1.623 ======================= Grid point 217 (69/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( 18.555 -0.249 0.000) 18.557 3.194 ( 18.555 0.249 0.000) 18.557 3.254 ( 14.211 -4.585 0.000) 14.932 3.254 ( 14.211 4.585 0.000) 14.932 3.478 ( 27.219 -11.245 -0.000) 29.450 3.478 ( 27.219 11.245 -0.000) 29.450 3.744 ( 15.262 -3.687 0.000) 15.701 3.744 ( 15.262 3.687 0.000) 15.701 4.744 ( 4.548 -5.444 0.000) 7.094 4.744 ( 4.548 5.444 0.000) 7.094 5.142 ( 9.794 -7.430 -0.000) 12.293 5.142 ( 9.794 7.430 0.000) 12.293 5.233 ( 3.599 -0.938 0.000) 3.719 5.233 ( 3.599 0.938 0.000) 3.719 5.329 ( 12.428 -15.516 0.000) 19.880 5.329 ( 12.428 15.516 -0.000) 19.880 5.486 ( 16.736 -7.708 0.000) 18.425 5.486 ( 16.736 7.708 0.000) 18.425 5.661 ( 8.270 -17.040 0.000) 18.941 5.661 ( 8.270 17.040 -0.000) 18.941 5.792 ( 12.776 -2.768 0.000) 13.072 5.792 ( 12.776 2.768 0.000) 13.072 6.037 ( -7.041 -1.130 0.000) 7.131 6.037 ( -7.041 1.130 -0.000) 7.131 6.078 ( 3.594 -0.589 0.000) 3.642 6.078 ( 3.594 0.589 0.000) 3.642 6.393 ( -8.460 -2.091 0.000) 8.714 6.393 ( -8.460 2.091 0.000) 8.714 6.518 ( 1.274 -1.797 0.000) 2.203 6.518 ( 1.274 1.797 0.000) 2.203 6.693 ( -12.767 -0.613 0.000) 12.781 6.693 ( -12.767 0.613 0.000) 12.781 6.749 ( -1.682 -2.810 0.000) 3.275 6.749 ( -1.682 2.810 0.000) 3.275 6.945 ( -7.464 -1.548 0.000) 7.623 6.945 ( -7.464 1.548 0.000) 7.623 7.038 ( -4.581 -0.499 0.000) 4.608 7.038 ( -4.581 0.499 0.000) 4.608 7.181 ( -21.376 -0.195 0.000) 21.377 7.181 ( -21.376 0.195 0.000) 21.377 7.288 ( -11.480 -1.167 0.000) 11.539 7.288 ( -11.480 1.167 -0.000) 11.539 7.487 ( -9.097 -1.269 0.000) 9.185 7.487 ( -9.097 1.269 0.000) 9.185 7.579 ( -3.167 -3.237 -0.000) 4.529 7.579 ( -3.167 3.237 -0.000) 4.529 7.806 ( -6.906 -8.430 0.000) 10.898 7.806 ( -6.906 8.430 0.000) 10.898 8.017 ( -2.643 -0.599 0.000) 2.710 8.017 ( -2.643 0.599 0.000) 2.710 8.263 ( -0.583 -4.806 0.000) 4.841 8.263 ( -0.583 4.806 0.000) 4.841 8.341 ( -2.050 -1.099 0.000) 2.326 8.341 ( -2.050 1.099 -0.000) 2.326 8.521 ( -1.842 -0.721 0.000) 1.978 8.521 ( -1.842 0.721 0.000) 1.978 8.626 ( -4.379 -19.402 -0.000) 19.890 8.626 ( -4.379 19.402 0.000) 19.890 8.700 ( 2.699 -2.982 0.000) 4.022 8.700 ( 2.699 2.982 -0.000) 4.022 9.104 ( 6.560 -5.579 0.000) 8.612 9.104 ( 6.560 5.579 0.000) 8.612 9.130 ( 3.399 -4.226 0.000) 5.423 9.130 ( 3.399 4.226 0.000) 5.423 9.409 ( -0.002 -0.419 0.000) 0.419 9.409 ( -0.002 0.419 0.000) 0.419 9.701 ( -1.276 -5.485 0.000) 5.631 9.701 ( -1.276 5.485 0.000) 5.631 9.798 ( -0.719 -1.133 0.000) 1.342 9.798 ( -0.719 1.133 0.000) 1.342 9.864 ( -2.308 -0.364 0.000) 2.336 9.864 ( -2.308 0.364 0.000) 2.336 9.921 ( 3.180 -3.338 -0.000) 4.610 9.921 ( 3.180 3.338 -0.000) 4.610 10.106 ( -2.846 -1.187 0.000) 3.083 10.106 ( -2.846 1.187 0.000) 3.083 10.238 ( -3.654 -0.171 0.000) 3.658 10.238 ( -3.654 0.171 0.000) 3.658 10.343 ( -2.120 -2.676 0.000) 3.414 10.343 ( -2.120 2.676 0.000) 3.414 10.412 ( -7.047 -1.163 0.000) 7.142 10.412 ( -7.047 1.163 0.000) 7.142 10.943 ( -1.457 -1.488 0.000) 2.082 10.943 ( -1.457 1.488 0.000) 2.082 11.002 ( 0.872 -0.674 -0.000) 1.102 11.002 ( 0.872 0.674 0.000) 1.102 11.152 ( 5.431 -6.107 0.000) 8.172 11.152 ( 5.431 6.107 0.000) 8.172 11.284 ( -0.757 -4.614 0.000) 4.676 11.284 ( -0.757 4.614 0.000) 4.676 11.413 ( 5.369 -1.715 -0.000) 5.637 11.413 ( 5.369 1.715 0.000) 5.637 11.427 ( -3.137 -2.372 0.000) 3.933 11.427 ( -3.137 2.372 -0.000) 3.933 11.494 ( 0.797 -6.010 0.000) 6.063 11.494 ( 0.797 6.010 0.000) 6.063 11.760 ( -2.207 -2.708 0.000) 3.494 11.760 ( -2.207 2.708 0.000) 3.494 11.816 ( 3.113 -3.425 0.000) 4.628 11.816 ( 3.113 3.425 0.000) 4.628 12.017 ( 2.297 -5.851 0.000) 6.286 12.017 ( 2.297 5.851 0.000) 6.286 12.075 ( -1.301 -0.942 0.000) 1.606 12.075 ( -1.301 0.942 0.000) 1.606 12.182 ( -7.765 -3.240 0.000) 8.414 12.182 ( -7.765 3.240 0.000) 8.414 12.298 ( 15.513 -2.747 0.000) 15.754 12.298 ( 15.513 2.747 0.000) 15.754 12.506 ( 4.539 -5.804 0.000) 7.368 12.506 ( 4.539 5.804 0.000) 7.368 12.643 ( -6.203 -3.230 0.000) 6.994 12.643 ( -6.203 3.230 0.000) 6.994 12.681 ( -5.296 -5.301 0.000) 7.493 12.681 ( -5.296 5.301 0.000) 7.493 12.827 ( -12.092 -3.445 0.000) 12.574 12.827 ( -12.092 3.445 0.000) 12.574 12.935 ( -0.807 -5.157 0.000) 5.220 12.935 ( -0.807 5.157 0.000) 5.220 13.019 ( -3.981 -1.314 0.000) 4.193 13.019 ( -3.981 1.314 0.000) 4.193 13.152 ( 5.561 -3.259 0.000) 6.446 13.152 ( 5.561 3.259 0.000) 6.446 13.211 ( -0.928 -1.242 0.000) 1.551 13.211 ( -0.928 1.242 0.000) 1.551 13.382 ( -9.371 -2.933 0.000) 9.819 13.382 ( -9.371 2.933 0.000) 9.819 13.532 ( 0.826 -3.175 0.000) 3.281 13.532 ( 0.826 3.175 -0.000) 3.281 13.587 ( -4.074 -5.939 0.000) 7.202 13.587 ( -4.074 5.939 0.000) 7.202 13.910 ( 7.601 -0.577 0.000) 7.623 13.910 ( 7.601 0.577 0.000) 7.623 13.979 ( 9.372 -2.868 0.000) 9.801 13.979 ( 9.372 2.868 0.000) 9.801 14.207 ( -3.488 -4.980 0.000) 6.080 14.207 ( -3.488 4.980 0.000) 6.080 14.340 ( 6.737 -2.625 0.000) 7.231 14.340 ( 6.737 2.625 0.000) 7.231 14.610 ( -2.784 -1.256 0.000) 3.054 14.610 ( -2.784 1.256 0.000) 3.054 14.747 ( 1.845 -3.263 0.000) 3.748 14.747 ( 1.845 3.263 0.000) 3.748 15.034 ( 2.087 -1.699 0.000) 2.691 15.034 ( 2.087 1.699 0.000) 2.691 15.288 ( -2.437 -6.576 0.000) 7.013 15.288 ( -2.437 6.576 0.000) 7.013 15.374 ( -0.916 -9.091 0.000) 9.137 15.374 ( -0.916 9.091 0.000) 9.137 15.811 ( 5.186 -5.843 0.000) 7.813 15.811 ( 5.186 5.843 0.000) 7.813 16.062 ( 0.082 -0.483 -0.000) 0.490 16.062 ( 0.082 0.483 0.000) 0.490 16.124 ( 1.473 -0.114 0.000) 1.478 16.124 ( 1.473 0.114 0.000) 1.478 16.304 ( -1.179 -2.360 0.000) 2.638 16.304 ( -1.179 2.360 0.000) 2.638 16.459 ( 0.885 -3.102 0.000) 3.226 16.459 ( 0.885 3.102 0.000) 3.226 16.935 ( 4.113 -0.323 0.000) 4.126 16.935 ( 4.113 0.323 0.000) 4.126 17.132 ( -2.139 -0.262 0.000) 2.155 17.132 ( -2.139 0.262 0.000) 2.155 17.404 ( 9.765 -3.822 -0.000) 10.486 17.404 ( 9.765 3.822 0.000) 10.486 17.438 ( -2.642 -0.217 0.000) 2.651 17.438 ( -2.642 0.217 -0.000) 2.651 18.094 ( -15.199 -2.044 0.000) 15.336 18.094 ( -15.199 2.044 0.000) 15.336 18.469 ( 0.903 -0.230 0.000) 0.932 18.469 ( 0.903 0.230 0.000) 0.932 19.746 ( 0.536 -0.266 0.000) 0.598 19.746 ( 0.536 0.266 0.000) 0.598 20.585 ( 5.646 -2.486 0.000) 6.169 20.585 ( 5.646 2.486 0.000) 6.169 20.632 ( 3.078 -6.143 0.000) 6.871 20.632 ( 3.078 6.143 0.000) 6.871 21.123 ( 7.924 -11.434 0.000) 13.911 21.123 ( 7.924 11.434 0.000) 13.911 21.429 ( -5.587 -7.520 0.000) 9.368 21.429 ( -5.587 7.520 0.000) 9.368 21.873 ( -7.608 -0.285 0.000) 7.614 21.873 ( -7.608 0.285 0.000) 7.614 22.365 ( -8.086 -0.320 0.000) 8.092 22.365 ( -8.086 0.320 0.000) 8.092 22.445 ( -3.488 -0.002 0.000) 3.488 22.445 ( -3.488 0.002 -0.000) 3.488 25.287 ( -0.859 -0.016 0.000) 0.859 25.287 ( -0.859 0.016 0.000) 0.859 25.369 ( -2.839 -0.087 -0.000) 2.840 25.369 ( -2.839 0.087 0.000) 2.840 29.040 ( 0.383 -0.030 0.000) 0.384 29.040 ( 0.383 0.030 0.000) 0.384 29.126 ( -2.131 -0.105 0.000) 2.134 29.126 ( -2.131 0.105 0.000) 2.134 29.881 ( 7.490 -0.044 -0.000) 7.490 29.881 ( 7.490 0.044 0.000) 7.490 29.915 ( 9.551 -0.032 -0.000) 9.551 29.915 ( 9.551 0.032 0.000) 9.551 34.420 ( -1.913 -0.204 -0.000) 1.923 34.420 ( -1.913 0.204 -0.000) 1.923 34.423 ( -2.017 -0.095 0.000) 2.019 34.423 ( -2.017 0.095 0.000) 2.019 97.795 ( -0.577 -0.264 0.000) 0.634 97.795 ( -0.577 0.264 -0.000) 0.634 97.835 ( -1.631 -0.377 0.000) 1.674 97.835 ( -1.631 0.377 0.000) 1.674 100.021 ( -0.736 -1.510 0.000) 1.680 100.021 ( -0.736 1.510 0.000) 1.680 100.242 ( -2.824 -1.065 0.000) 3.018 100.242 ( -2.824 1.065 0.000) 3.018 ======================= Grid point 221 (70/72) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( 20.662 -5.404 0.000) 21.357 3.563 ( 20.662 5.404 0.000) 21.357 3.664 ( 25.867 -8.163 0.000) 27.124 3.664 ( 25.867 8.163 0.000) 27.124 4.042 ( 29.248 -9.609 0.000) 30.786 4.042 ( 29.248 9.609 0.000) 30.786 4.098 ( 20.870 -3.291 -0.000) 21.128 4.098 ( 20.870 3.291 0.000) 21.128 4.846 ( 6.202 -6.396 0.000) 8.909 4.846 ( 6.202 6.396 0.000) 8.909 5.215 ( -3.116 -3.217 0.000) 4.478 5.215 ( -3.116 3.217 0.000) 4.478 5.335 ( 5.867 -8.433 0.000) 10.273 5.335 ( 5.867 8.433 0.000) 10.273 5.477 ( 2.107 -7.058 0.000) 7.366 5.477 ( 2.107 7.058 0.000) 7.366 5.626 ( -0.964 -7.742 0.000) 7.802 5.626 ( -0.964 7.742 0.000) 7.802 5.752 ( -4.724 -1.394 0.000) 4.925 5.752 ( -4.724 1.394 0.000) 4.925 5.910 ( -2.346 -3.273 0.000) 4.027 5.910 ( -2.346 3.273 0.000) 4.027 6.014 ( -2.426 -1.180 0.000) 2.698 6.014 ( -2.426 1.180 0.000) 2.698 6.095 ( 2.106 -9.983 0.000) 10.203 6.095 ( 2.106 9.983 0.000) 10.203 6.250 ( -2.668 -7.520 0.000) 7.979 6.250 ( -2.668 7.520 0.000) 7.979 6.484 ( -2.953 -2.289 0.000) 3.736 6.484 ( -2.953 2.289 0.000) 3.736 6.567 ( -4.111 -2.360 0.000) 4.740 6.567 ( -4.111 2.360 0.000) 4.740 6.697 ( -4.740 -0.205 0.000) 4.744 6.697 ( -4.740 0.205 0.000) 4.744 6.726 ( -10.943 -3.286 0.000) 11.426 6.726 ( -10.943 3.286 0.000) 11.426 6.880 ( -8.497 -3.709 0.000) 9.271 6.880 ( -8.497 3.709 -0.000) 9.271 6.995 ( 4.036 -2.967 0.000) 5.009 6.995 ( 4.036 2.967 -0.000) 5.009 7.086 ( -6.772 -2.096 0.000) 7.089 7.086 ( -6.772 2.096 0.000) 7.089 7.443 ( 1.283 -10.928 0.000) 11.004 7.443 ( 1.283 10.928 0.000) 11.004 7.530 ( -2.471 -8.481 -0.000) 8.834 7.530 ( -2.471 8.481 -0.000) 8.834 7.678 ( -2.053 -3.981 0.000) 4.480 7.678 ( -2.053 3.981 0.000) 4.480 8.027 ( 1.049 -3.073 0.000) 3.248 8.027 ( 1.049 3.073 0.000) 3.248 8.152 ( -12.882 -1.298 0.000) 12.947 8.152 ( -12.882 1.298 0.000) 12.947 8.319 ( 3.407 -11.832 0.000) 12.313 8.319 ( 3.407 11.832 0.000) 12.313 8.401 ( -8.514 -3.004 0.000) 9.028 8.401 ( -8.514 3.004 0.000) 9.028 8.590 ( 4.930 -10.684 0.000) 11.767 8.590 ( 4.930 10.684 -0.000) 11.767 8.884 ( 10.924 -5.628 0.000) 12.289 8.884 ( 10.924 5.628 0.000) 12.289 9.063 ( -7.310 -2.202 0.000) 7.634 9.063 ( -7.310 2.202 0.000) 7.634 9.270 ( 7.120 -2.558 0.000) 7.566 9.270 ( 7.120 2.558 0.000) 7.566 9.469 ( 3.713 -1.860 0.000) 4.152 9.469 ( 3.713 1.860 0.000) 4.152 9.671 ( -0.879 -4.969 0.000) 5.046 9.671 ( -0.879 4.969 -0.000) 5.046 9.733 ( -3.909 -3.610 0.000) 5.321 9.733 ( -3.909 3.610 0.000) 5.321 9.810 ( -1.758 -0.901 0.000) 1.975 9.810 ( -1.758 0.901 0.000) 1.975 9.935 ( -3.175 -2.600 0.000) 4.104 9.935 ( -3.175 2.600 0.000) 4.104 10.119 ( 2.129 -3.681 0.000) 4.253 10.119 ( 2.129 3.681 0.000) 4.253 10.142 ( -5.184 -2.907 0.000) 5.944 10.142 ( -5.184 2.907 0.000) 5.944 10.274 ( -5.436 -0.314 0.000) 5.445 10.274 ( -5.436 0.314 0.000) 5.445 10.331 ( -0.595 -2.064 0.000) 2.148 10.331 ( -0.595 2.064 0.000) 2.148 10.845 ( -8.363 -0.898 0.000) 8.411 10.845 ( -8.363 0.898 0.000) 8.411 11.021 ( 0.992 -4.231 0.000) 4.345 11.021 ( 0.992 4.231 0.000) 4.345 11.106 ( -9.200 -1.192 0.000) 9.277 11.106 ( -9.200 1.192 0.000) 9.277 11.275 ( -0.901 -1.291 0.000) 1.574 11.275 ( -0.901 1.291 0.000) 1.574 11.374 ( 2.375 -1.379 0.000) 2.746 11.374 ( 2.375 1.379 0.000) 2.746 11.467 ( -3.701 -6.405 0.000) 7.398 11.467 ( -3.701 6.405 0.000) 7.398 11.591 ( 3.456 -3.750 0.000) 5.099 11.591 ( 3.456 3.750 0.000) 5.099 11.736 ( 5.318 -3.070 0.000) 6.140 11.736 ( 5.318 3.070 0.000) 6.140 11.883 ( 3.914 -0.809 0.000) 3.997 11.883 ( 3.914 0.809 0.000) 3.997 12.015 ( -5.880 -2.474 0.000) 6.379 12.015 ( -5.880 2.474 0.000) 6.379 12.029 ( -3.383 -1.667 0.000) 3.772 12.029 ( -3.383 1.667 0.000) 3.772 12.071 ( 2.226 -1.237 -0.000) 2.547 12.071 ( 2.226 1.237 0.000) 2.547 12.432 ( -6.323 -0.119 0.000) 6.324 12.432 ( -6.323 0.119 0.000) 6.324 12.502 ( -11.523 -4.570 0.000) 12.396 12.502 ( -11.523 4.570 0.000) 12.396 12.577 ( -3.512 -2.772 0.000) 4.474 12.577 ( -3.512 2.772 0.000) 4.474 12.600 ( 5.956 -1.673 -0.000) 6.187 12.600 ( 5.956 1.673 -0.000) 6.187 12.718 ( -1.532 -3.068 0.000) 3.429 12.718 ( -1.532 3.068 0.000) 3.429 12.919 ( -2.441 -1.714 0.000) 2.983 12.919 ( -2.441 1.714 0.000) 2.983 13.016 ( 6.218 -3.749 0.000) 7.261 13.016 ( 6.218 3.749 0.000) 7.261 13.130 ( -1.813 -1.467 0.000) 2.332 13.130 ( -1.813 1.467 0.000) 2.332 13.174 ( -1.969 -3.571 0.000) 4.078 13.174 ( -1.969 3.571 0.000) 4.078 13.365 ( 5.629 -6.543 0.000) 8.631 13.365 ( 5.629 6.543 0.000) 8.631 13.532 ( -1.386 -1.419 0.000) 1.984 13.532 ( -1.386 1.419 0.000) 1.984 13.639 ( 8.987 -7.388 0.000) 11.634 13.639 ( 8.987 7.388 0.000) 11.634 13.939 ( -1.249 -5.947 0.000) 6.076 13.939 ( -1.249 5.947 0.000) 6.076 14.123 ( 2.449 -3.682 0.000) 4.422 14.123 ( 2.449 3.682 0.000) 4.422 14.199 ( 2.401 -0.070 -0.000) 2.402 14.199 ( 2.401 0.070 -0.000) 2.402 14.501 ( 7.044 -6.567 0.000) 9.631 14.501 ( 7.044 6.567 0.000) 9.631 14.553 ( -2.188 -1.299 0.000) 2.545 14.553 ( -2.188 1.299 0.000) 2.545 14.758 ( 1.262 -7.714 0.000) 7.816 14.758 ( 1.262 7.714 0.000) 7.816 15.089 ( 3.210 -2.420 0.000) 4.020 15.089 ( 3.210 2.420 0.000) 4.020 15.228 ( -3.990 -0.552 0.000) 4.028 15.228 ( -3.990 0.552 0.000) 4.028 15.342 ( -2.744 -5.117 0.000) 5.807 15.342 ( -2.744 5.117 0.000) 5.807 15.846 ( -0.363 -7.243 0.000) 7.252 15.846 ( -0.363 7.243 0.000) 7.252 16.045 ( -7.213 -0.118 0.000) 7.214 16.045 ( -7.213 0.118 0.000) 7.214 16.128 ( 5.412 -0.656 0.000) 5.452 16.128 ( 5.412 0.656 0.000) 5.452 16.335 ( 2.817 -2.520 0.000) 3.780 16.335 ( 2.817 2.520 0.000) 3.780 16.503 ( 3.265 -2.163 0.000) 3.916 16.503 ( 3.265 2.163 0.000) 3.916 17.023 ( 4.058 -0.527 0.000) 4.092 17.023 ( 4.058 0.527 0.000) 4.092 17.091 ( -1.366 -0.268 0.000) 1.392 17.091 ( -1.366 0.268 0.000) 1.392 17.381 ( -2.936 -1.293 0.000) 3.208 17.381 ( -2.936 1.293 0.000) 3.208 17.593 ( 8.820 -1.594 0.000) 8.963 17.593 ( 8.820 1.594 0.000) 8.963 17.859 ( -9.383 -1.458 -0.000) 9.496 17.859 ( -9.383 1.458 0.000) 9.496 18.490 ( 1.207 -0.435 0.000) 1.283 18.490 ( 1.207 0.435 0.000) 1.283 19.740 ( -0.681 -0.214 0.000) 0.714 19.740 ( -0.681 0.214 0.000) 0.714 20.655 ( 1.675 -3.592 0.000) 3.964 20.655 ( 1.675 3.592 0.000) 3.964 20.706 ( 5.160 -2.418 0.000) 5.698 20.706 ( 5.160 2.418 0.000) 5.698 21.254 ( 3.885 -10.886 0.000) 11.559 21.254 ( 3.885 10.886 0.000) 11.559 21.314 ( -6.104 -8.613 0.000) 10.557 21.314 ( -6.104 8.613 0.000) 10.557 21.732 ( -5.683 -1.320 0.000) 5.834 21.732 ( -5.683 1.320 0.000) 5.834 22.224 ( -6.189 -0.261 0.000) 6.194 22.224 ( -6.189 0.261 0.000) 6.194 22.378 ( -3.273 -0.021 0.000) 3.273 22.378 ( -3.273 0.021 0.000) 3.273 25.273 ( -0.594 -0.004 0.000) 0.594 25.273 ( -0.594 0.004 0.000) 0.594 25.321 ( -2.038 -0.039 -0.000) 2.038 25.321 ( -2.038 0.039 0.000) 2.038 29.047 ( 0.340 -0.017 0.000) 0.340 29.047 ( 0.340 0.017 0.000) 0.340 29.089 ( -1.665 -0.010 0.000) 1.665 29.089 ( -1.665 0.010 0.000) 1.665 30.020 ( 6.528 -0.126 -0.000) 6.530 30.020 ( 6.528 0.126 0.000) 6.530 30.091 ( 8.079 -0.078 0.000) 8.079 30.091 ( 8.079 0.078 -0.000) 8.079 34.380 ( -2.032 -0.395 -0.000) 2.070 34.380 ( -2.032 0.395 -0.000) 2.070 34.385 ( -1.751 -0.453 0.000) 1.809 34.385 ( -1.751 0.453 0.000) 1.809 97.786 ( -0.346 -0.187 0.000) 0.393 97.786 ( -0.346 0.187 -0.000) 0.393 97.808 ( -1.127 -0.238 0.000) 1.152 97.808 ( -1.127 0.238 0.000) 1.152 100.014 ( 0.064 -0.947 0.000) 0.949 100.014 ( 0.064 0.947 0.000) 0.949 100.180 ( -3.461 -0.730 0.000) 3.537 100.180 ( -3.461 0.730 0.000) 3.537 ======================= Grid point 225 (71/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.966 ( 19.085 -2.803 0.000) 19.290 3.966 ( 19.085 2.803 0.000) 19.290 4.191 ( 27.543 -4.161 0.000) 27.856 4.191 ( 27.543 4.161 0.000) 27.856 4.511 ( 20.518 -2.088 0.000) 20.624 4.511 ( 20.518 2.088 0.000) 20.624 4.545 ( 20.963 -0.118 -0.000) 20.964 4.545 ( 20.963 0.118 -0.000) 20.964 4.982 ( 7.345 -2.723 0.000) 7.833 4.982 ( 7.345 2.723 0.000) 7.833 5.095 ( -8.331 -2.589 0.000) 8.724 5.095 ( -8.331 2.589 0.000) 8.724 5.303 ( -8.271 -4.536 0.000) 9.433 5.303 ( -8.271 4.536 0.000) 9.433 5.398 ( -17.482 -2.552 0.000) 17.667 5.398 ( -17.482 2.552 0.000) 17.667 5.467 ( -4.706 -1.523 0.000) 4.946 5.467 ( -4.706 1.523 0.000) 4.946 5.717 ( 0.391 -2.531 0.000) 2.561 5.717 ( 0.391 2.531 0.000) 2.561 5.770 ( -8.763 -2.480 0.000) 9.107 5.770 ( -8.763 2.480 0.000) 9.107 5.829 ( -7.914 -3.096 0.000) 8.498 5.829 ( -7.914 3.096 0.000) 8.498 6.172 ( -2.439 -3.938 0.000) 4.632 6.172 ( -2.439 3.938 0.000) 4.632 6.227 ( 0.526 -2.248 0.000) 2.309 6.227 ( 0.526 2.248 0.000) 2.309 6.399 ( -4.476 -1.535 0.000) 4.733 6.399 ( -4.476 1.535 0.000) 4.732 6.462 ( -3.762 -2.972 -0.000) 4.795 6.462 ( -3.762 2.972 0.000) 4.795 6.522 ( -9.598 -0.466 0.000) 9.609 6.522 ( -9.598 0.466 0.000) 9.609 6.649 ( 0.852 -0.149 0.000) 0.864 6.649 ( 0.852 0.149 -0.000) 0.864 6.869 ( 3.662 -6.317 0.000) 7.301 6.869 ( 3.662 6.317 -0.000) 7.301 7.007 ( -1.132 -2.988 0.000) 3.195 7.007 ( -1.132 2.988 0.000) 3.195 7.209 ( 10.690 -0.610 0.000) 10.707 7.209 ( 10.690 0.610 0.000) 10.707 7.400 ( -6.762 -5.192 -0.000) 8.525 7.400 ( -6.762 5.192 -0.000) 8.525 7.463 ( -1.170 -2.621 0.000) 2.870 7.463 ( -1.170 2.621 0.000) 2.870 7.824 ( 9.087 -3.455 0.000) 9.721 7.824 ( 9.087 3.455 -0.000) 9.721 7.965 ( -0.160 -0.499 0.000) 0.524 7.965 ( -0.160 0.499 0.000) 0.524 8.038 ( 0.963 -4.413 -0.000) 4.517 8.038 ( 0.963 4.413 0.000) 4.517 8.304 ( 0.623 -3.236 0.000) 3.295 8.304 ( 0.623 3.236 0.000) 3.295 8.380 ( 0.859 -3.498 0.000) 3.602 8.380 ( 0.859 3.498 0.000) 3.602 8.700 ( 4.849 -4.955 0.000) 6.933 8.700 ( 4.849 4.955 -0.000) 6.933 8.836 ( -14.029 -0.917 0.000) 14.059 8.836 ( -14.029 0.917 0.000) 14.059 9.097 ( 7.958 -1.996 0.000) 8.205 9.097 ( 7.958 1.996 0.000) 8.205 9.332 ( -1.978 -0.172 0.000) 1.986 9.332 ( -1.978 0.172 0.000) 1.986 9.504 ( 1.718 -4.018 0.000) 4.370 9.504 ( 1.718 4.018 0.000) 4.370 9.654 ( -3.162 -5.179 0.000) 6.068 9.654 ( -3.162 5.179 0.000) 6.068 9.726 ( 5.399 -2.824 0.000) 6.093 9.726 ( 5.399 2.824 0.000) 6.093 9.819 ( -2.181 -0.186 0.000) 2.189 9.819 ( -2.181 0.186 -0.000) 2.189 9.854 ( 2.646 -0.343 0.000) 2.668 9.854 ( 2.646 0.343 -0.000) 2.668 10.046 ( -5.059 -3.092 0.000) 5.929 10.046 ( -5.059 3.092 -0.000) 5.929 10.132 ( -2.933 -5.646 0.000) 6.362 10.132 ( -2.933 5.646 0.000) 6.362 10.224 ( 0.149 -0.220 0.000) 0.266 10.224 ( 0.149 0.220 0.000) 0.266 10.331 ( 1.394 -1.916 0.000) 2.369 10.331 ( 1.394 1.916 0.000) 2.369 10.612 ( -14.022 -2.151 0.000) 14.186 10.612 ( -14.022 2.151 0.000) 14.186 10.942 ( -6.094 -0.405 0.000) 6.107 10.942 ( -6.094 0.405 0.000) 6.107 11.046 ( 0.525 -2.950 0.000) 2.997 11.046 ( 0.525 2.950 0.000) 2.997 11.260 ( -0.205 -0.670 0.000) 0.701 11.260 ( -0.205 0.670 0.000) 0.701 11.341 ( -4.572 -3.247 -0.000) 5.608 11.341 ( -4.572 3.247 0.000) 5.608 11.443 ( 0.963 -5.033 0.000) 5.125 11.443 ( 0.963 5.033 0.000) 5.125 11.620 ( 2.471 -2.036 0.000) 3.202 11.620 ( 2.471 2.036 0.000) 3.202 11.823 ( -6.403 -2.530 0.000) 6.885 11.823 ( -6.403 2.530 0.000) 6.885 11.924 ( 1.425 -0.871 0.000) 1.670 11.924 ( 1.425 0.871 0.000) 1.670 11.935 ( 5.177 -3.243 -0.000) 6.109 11.935 ( 5.177 3.243 -0.000) 6.109 12.040 ( 3.777 -3.866 0.000) 5.405 12.040 ( 3.777 3.866 0.000) 5.405 12.135 ( 1.760 -2.455 0.000) 3.021 12.135 ( 1.760 2.455 0.000) 3.021 12.269 ( -8.168 -7.217 0.000) 10.899 12.269 ( -8.168 7.217 0.000) 10.899 12.314 ( -6.885 -0.945 0.000) 6.949 12.314 ( -6.885 0.945 0.000) 6.949 12.485 ( -5.326 -1.924 0.000) 5.663 12.485 ( -5.326 1.924 0.000) 5.663 12.649 ( 1.967 -3.614 0.000) 4.115 12.649 ( 1.967 3.614 0.000) 4.115 12.754 ( 3.045 -0.172 0.000) 3.050 12.754 ( 3.045 0.172 0.000) 3.050 12.909 ( -1.152 -1.862 0.000) 2.189 12.909 ( -1.152 1.862 0.000) 2.189 12.934 ( -3.614 -4.449 0.000) 5.732 12.934 ( -3.614 4.449 0.000) 5.732 13.089 ( -5.313 -3.368 0.000) 6.290 13.089 ( -5.313 3.368 -0.000) 6.290 13.320 ( 8.562 -0.160 0.000) 8.563 13.320 ( 8.562 0.160 0.000) 8.563 13.470 ( 0.571 -5.737 0.000) 5.765 13.470 ( 0.571 5.737 0.000) 5.765 13.579 ( 9.725 -0.174 0.000) 9.726 13.579 ( 9.725 0.174 0.000) 9.726 13.825 ( 9.221 -7.707 0.000) 12.018 13.825 ( 9.221 7.707 0.000) 12.018 13.931 ( 0.919 -7.961 0.000) 8.014 13.931 ( 0.919 7.961 0.000) 8.014 14.090 ( -4.119 -6.709 0.000) 7.872 14.090 ( -4.119 6.709 0.000) 7.872 14.246 ( 0.814 -3.363 0.000) 3.460 14.246 ( 0.814 3.363 0.000) 3.460 14.425 ( -7.963 -4.272 0.000) 9.036 14.425 ( -7.963 4.272 0.000) 9.036 14.645 ( 6.963 -3.403 0.000) 7.750 14.645 ( 6.963 3.403 0.000) 7.750 14.873 ( 8.859 -0.399 0.000) 8.868 14.873 ( 8.859 0.399 0.000) 8.868 15.101 ( -5.822 -3.286 -0.000) 6.685 15.101 ( -5.822 3.286 0.000) 6.685 15.147 ( -1.541 -2.486 0.000) 2.925 15.147 ( -1.541 2.486 0.000) 2.925 15.279 ( -2.851 -0.648 0.000) 2.924 15.279 ( -2.851 0.648 0.000) 2.924 15.824 ( -2.418 -2.645 0.000) 3.584 15.824 ( -2.418 2.645 0.000) 3.584 15.930 ( -3.225 -0.284 0.000) 3.238 15.930 ( -3.225 0.284 0.000) 3.238 16.215 ( 3.106 -0.904 0.000) 3.235 16.215 ( 3.106 0.904 0.000) 3.235 16.382 ( 2.001 -0.353 0.000) 2.032 16.382 ( 2.001 0.353 0.000) 2.032 16.567 ( 2.832 -1.216 0.000) 3.082 16.567 ( 2.832 1.216 0.000) 3.082 17.029 ( -1.594 -0.428 0.000) 1.650 17.029 ( -1.594 0.428 0.000) 1.650 17.137 ( 4.054 -1.033 0.000) 4.183 17.137 ( 4.054 1.033 0.000) 4.183 17.331 ( -2.057 -0.664 0.000) 2.162 17.331 ( -2.057 0.664 0.000) 2.162 17.691 ( -2.180 -2.522 0.000) 3.334 17.691 ( -2.180 2.522 0.000) 3.334 17.756 ( 1.895 -1.978 -0.000) 2.740 17.756 ( 1.895 1.978 -0.000) 2.740 18.511 ( 0.817 -0.319 0.000) 0.877 18.511 ( 0.817 0.319 0.000) 0.877 19.729 ( -0.334 -0.275 0.000) 0.433 19.729 ( -0.334 0.275 0.000) 0.433 20.669 ( 0.202 -1.775 0.000) 1.786 20.669 ( 0.202 1.775 0.000) 1.786 20.829 ( 7.425 -2.605 0.000) 7.869 20.829 ( 7.425 2.605 0.000) 7.869 21.175 ( -7.975 -7.474 0.000) 10.930 21.175 ( -7.975 7.474 0.000) 10.930 21.268 ( -1.752 -7.923 0.000) 8.115 21.268 ( -1.752 7.923 0.000) 8.115 21.685 ( 0.215 -1.486 0.000) 1.501 21.685 ( 0.215 1.486 0.000) 1.501 22.133 ( -3.140 -0.120 0.000) 3.142 22.133 ( -3.140 0.120 0.000) 3.142 22.325 ( -2.009 -0.009 0.000) 2.009 22.325 ( -2.009 0.009 0.000) 2.009 25.265 ( -0.261 -0.011 0.000) 0.261 25.265 ( -0.261 0.011 0.000) 0.261 25.292 ( -1.011 -0.008 -0.000) 1.011 25.292 ( -1.011 0.008 0.000) 1.011 29.052 ( 0.203 -0.020 0.000) 0.204 29.052 ( 0.203 0.020 -0.000) 0.204 29.064 ( -0.847 -0.012 -0.000) 0.847 29.064 ( -0.847 0.012 0.000) 0.847 30.121 ( 3.684 -0.093 -0.000) 3.685 30.121 ( 3.684 0.093 0.000) 3.685 30.214 ( 4.461 -0.074 0.000) 4.462 30.214 ( 4.461 0.074 -0.000) 4.462 34.348 ( -1.248 -0.177 -0.000) 1.260 34.348 ( -1.248 0.177 -0.000) 1.260 34.358 ( -1.036 -0.198 0.000) 1.055 34.358 ( -1.036 0.198 0.000) 1.055 97.782 ( -0.112 -0.096 0.000) 0.147 97.782 ( -0.112 0.096 -0.000) 0.147 97.792 ( -0.537 -0.112 0.000) 0.548 97.792 ( -0.537 0.112 0.000) 0.548 100.024 ( 0.911 -0.487 0.000) 1.033 100.024 ( 0.911 0.487 0.000) 1.033 100.116 ( -2.948 -0.414 0.000) 2.977 100.116 ( -2.948 0.414 0.000) 2.977 ======================= Grid point 229 (72/72) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.184 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.573 ( -0.000 0.000 0.000) 0.000 4.573 ( 0.000 -0.000 0.000) 0.000 4.756 ( 0.000 -0.000 0.000) 0.000 4.756 ( 0.000 0.000 0.000) 0.000 4.815 ( 0.000 -0.000 0.000) 0.000 4.815 ( 0.000 0.000 0.000) 0.000 4.921 ( 0.000 -0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 5.016 ( -0.000 -0.000 0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 -0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.282 ( -0.000 0.000 0.000) 0.000 5.282 ( 0.000 0.000 0.000) 0.000 5.310 ( -0.000 -0.000 0.000) 0.000 5.310 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 -0.000 0.000) 0.000 5.692 ( -0.000 0.000 -0.000) 0.000 5.700 ( -0.000 -0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 6.076 ( 0.000 0.000 -0.000) 0.000 6.076 ( 0.000 -0.000 0.000) 0.000 6.241 ( 0.000 -0.000 0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.357 ( -0.000 0.000 0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.472 ( 0.000 0.000 -0.000) 0.000 6.472 ( 0.000 0.000 0.000) 0.000 6.678 ( 0.000 0.000 0.000) 0.000 6.678 ( 0.000 0.000 0.000) 0.000 6.898 ( 0.000 -0.000 0.000) 0.000 6.898 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.174 ( 0.000 -0.000 0.000) 0.000 7.174 ( -0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.420 ( 0.000 0.000 0.000) 0.000 7.432 ( -0.000 -0.000 0.000) 0.000 7.432 ( 0.000 -0.000 0.000) 0.000 7.885 ( -0.000 -0.000 0.000) 0.000 7.885 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 -0.000 0.000) 0.000 8.020 ( -0.000 0.000 0.000) 0.000 8.077 ( 0.000 -0.000 0.000) 0.000 8.077 ( 0.000 0.000 0.000) 0.000 8.363 ( 0.000 -0.000 0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 8.493 ( -0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.532 ( -0.000 0.000 0.000) 0.000 8.532 ( 0.000 0.000 0.000) 0.000 8.748 ( 0.000 -0.000 -0.000) 0.000 8.748 ( 0.000 -0.000 0.000) 0.000 9.170 ( -0.000 0.000 0.000) 0.000 9.170 ( 0.000 0.000 0.000) 0.000 9.284 ( 0.000 0.000 0.000) 0.000 9.284 ( 0.000 0.000 0.000) 0.000 9.552 ( -0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 0.000) 0.000 9.607 ( 0.000 -0.000 0.000) 0.000 9.607 ( -0.000 -0.000 0.000) 0.000 9.768 ( 0.000 0.000 0.000) 0.000 9.768 ( 0.000 0.000 0.000) 0.000 9.869 ( 0.000 -0.000 0.000) 0.000 9.869 ( 0.000 0.000 0.000) 0.000 9.899 ( -0.000 -0.000 0.000) 0.000 9.899 ( -0.000 0.000 0.000) 0.000 9.982 ( 0.000 -0.000 -0.000) 0.000 9.982 ( 0.000 -0.000 -0.000) 0.000 10.049 ( -0.000 -0.000 0.000) 0.000 10.049 ( 0.000 0.000 0.000) 0.000 10.258 ( 0.000 0.000 0.000) 0.000 10.258 ( 0.000 0.000 0.000) 0.000 10.339 ( 0.000 0.000 -0.000) 0.000 10.339 ( 0.000 -0.000 0.000) 0.000 10.442 ( 0.000 0.000 -0.000) 0.000 10.442 ( 0.000 0.000 0.000) 0.000 10.876 ( 0.000 0.000 0.000) 0.000 10.876 ( 0.000 0.000 0.000) 0.000 11.052 ( -0.000 -0.000 0.000) 0.000 11.052 ( 0.000 0.000 0.000) 0.000 11.261 ( 0.000 0.000 0.000) 0.000 11.261 ( 0.000 0.000 0.000) 0.000 11.285 ( 0.000 0.000 -0.000) 0.000 11.285 ( 0.000 -0.000 0.000) 0.000 11.459 ( 0.000 0.000 0.000) 0.000 11.459 ( 0.000 0.000 0.000) 0.000 11.678 ( 0.000 0.000 0.000) 0.000 11.678 ( 0.000 0.000 0.000) 0.000 11.714 ( -0.000 0.000 0.000) 0.000 11.714 ( 0.000 0.000 0.000) 0.000 11.916 ( 0.000 0.000 0.000) 0.000 11.916 ( 0.000 0.000 0.000) 0.000 12.039 ( 0.000 -0.000 0.000) 0.000 12.039 ( -0.000 0.000 0.000) 0.000 12.121 ( -0.000 -0.000 0.000) 0.000 12.121 ( 0.000 0.000 0.000) 0.000 12.126 ( -0.000 -0.000 -0.000) 0.000 12.126 ( 0.000 -0.000 0.000) 0.000 12.141 ( 0.000 0.000 -0.000) 0.000 12.141 ( -0.000 0.000 0.000) 0.000 12.255 ( 0.000 0.000 0.000) 0.000 12.255 ( 0.000 0.000 0.000) 0.000 12.428 ( 0.000 -0.000 0.000) 0.000 12.428 ( 0.000 0.000 0.000) 0.000 12.691 ( 0.000 0.000 0.000) 0.000 12.691 ( 0.000 0.000 0.000) 0.000 12.773 ( 0.000 0.000 -0.000) 0.000 12.773 ( 0.000 -0.000 0.000) 0.000 12.850 ( -0.000 0.000 -0.000) 0.000 12.850 ( 0.000 0.000 0.000) 0.000 12.971 ( -0.000 -0.000 0.000) 0.000 12.971 ( -0.000 0.000 0.000) 0.000 13.001 ( 0.000 0.000 0.000) 0.000 13.001 ( 0.000 0.000 0.000) 0.000 13.423 ( -0.000 -0.000 0.000) 0.000 13.423 ( -0.000 0.000 0.000) 0.000 13.435 ( 0.000 -0.000 0.000) 0.000 13.435 ( 0.000 -0.000 0.000) 0.000 13.718 ( 0.000 -0.000 0.000) 0.000 13.718 ( 0.000 0.000 0.000) 0.000 13.941 ( 0.000 -0.000 0.000) 0.000 13.941 ( 0.000 -0.000 0.000) 0.000 13.982 ( 0.000 -0.000 0.000) 0.000 13.982 ( -0.000 0.000 0.000) 0.000 13.999 ( -0.000 0.000 0.000) 0.000 13.999 ( -0.000 0.000 0.000) 0.000 14.242 ( 0.000 0.000 -0.000) 0.000 14.242 ( 0.000 0.000 0.000) 0.000 14.315 ( 0.000 -0.000 0.000) 0.000 14.315 ( 0.000 -0.000 0.000) 0.000 14.766 ( -0.000 -0.000 0.000) 0.000 14.766 ( 0.000 0.000 0.000) 0.000 14.952 ( -0.000 0.000 -0.000) 0.000 14.952 ( 0.000 0.000 0.000) 0.000 15.031 ( -0.000 -0.000 -0.000) 0.000 15.031 ( 0.000 0.000 0.000) 0.000 15.107 ( 0.000 -0.000 0.000) 0.000 15.107 ( 0.000 0.000 0.000) 0.000 15.254 ( 0.000 0.000 0.000) 0.000 15.254 ( 0.000 0.000 0.000) 0.000 15.786 ( 0.000 0.000 0.000) 0.000 15.786 ( 0.000 0.000 0.000) 0.000 15.909 ( 0.000 -0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 16.245 ( 0.000 -0.000 0.000) 0.000 16.245 ( 0.000 -0.000 0.000) 0.000 16.404 ( 0.000 -0.000 0.000) 0.000 16.404 ( 0.000 0.000 0.000) 0.000 16.596 ( 0.000 -0.000 0.000) 0.000 16.596 ( 0.000 0.000 0.000) 0.000 17.011 ( 0.000 0.000 -0.000) 0.000 17.011 ( 0.000 0.000 0.000) 0.000 17.183 ( 0.000 0.000 0.000) 0.000 17.183 ( 0.000 0.000 0.000) 0.000 17.309 ( 0.000 -0.000 0.000) 0.000 17.309 ( 0.000 0.000 0.000) 0.000 17.649 ( 0.000 0.000 0.000) 0.000 17.649 ( 0.000 0.000 0.000) 0.000 17.793 ( 0.000 0.000 0.000) 0.000 17.793 ( 0.000 0.000 0.000) 0.000 18.519 ( 0.000 0.000 0.000) 0.000 18.519 ( 0.000 0.000 0.000) 0.000 19.726 ( 0.000 0.000 0.000) 0.000 19.726 ( 0.000 0.000 0.000) 0.000 20.671 ( 0.000 0.000 0.000) 0.000 20.671 ( 0.000 0.000 0.000) 0.000 20.958 ( 0.000 -0.000 0.000) 0.000 20.958 ( 0.000 0.000 0.000) 0.000 21.038 ( 0.000 -0.000 0.000) 0.000 21.038 ( 0.000 0.000 0.000) 0.000 21.245 ( 0.000 -0.000 0.000) 0.000 21.245 ( 0.000 0.000 0.000) 0.000 21.695 ( 0.000 0.000 0.000) 0.000 21.695 ( 0.000 0.000 0.000) 0.000 22.103 ( 0.000 0.000 0.000) 0.000 22.103 ( 0.000 0.000 0.000) 0.000 22.305 ( 0.000 0.000 0.000) 0.000 22.305 ( 0.000 0.000 0.000) 0.000 25.262 ( 0.000 -0.000 0.000) 0.000 25.262 ( 0.000 0.000 0.000) 0.000 25.282 ( 0.000 0.000 0.000) 0.000 25.282 ( 0.000 0.000 0.000) 0.000 29.054 ( 0.000 0.000 0.000) 0.000 29.054 ( 0.000 0.000 0.000) 0.000 29.056 ( 0.000 0.000 0.000) 0.000 29.056 ( -0.000 0.000 0.000) 0.000 30.157 ( 0.000 0.000 0.000) 0.000 30.157 ( 0.000 0.000 0.000) 0.000 30.257 ( 0.000 0.000 0.000) 0.000 30.257 ( 0.000 0.000 0.000) 0.000 34.335 ( 0.000 0.000 0.000) 0.000 34.335 ( 0.000 0.000 0.000) 0.000 34.348 ( 0.000 0.000 0.000) 0.000 34.348 ( 0.000 0.000 0.000) 0.000 97.781 ( 0.000 0.000 0.000) 0.000 97.781 ( 0.000 0.000 0.000) 0.000 97.787 ( 0.000 -0.000 0.000) 0.000 97.787 ( 0.000 0.000 0.000) 0.000 100.040 ( -0.000 0.000 0.000) 0.000 100.040 ( 0.000 0.000 0.000) 0.000 100.079 ( 0.000 0.000 0.000) 0.000 100.079 ( 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 3/50400 10.0 1035.788 2017.124 1587.412 0.000 0.000 0.000 3/50400 20.0 1378.599 1381.582 1590.760 0.000 0.000 0.000 3/50400 30.0 711.457 700.166 693.553 0.000 0.000 0.000 3/50400 40.0 369.882 353.284 329.897 0.000 0.000 0.000 3/50400 50.0 213.168 196.075 177.734 0.000 0.000 0.000 3/50400 60.0 133.632 120.356 106.925 0.000 0.000 0.000 3/50400 70.0 89.957 80.295 70.340 0.000 0.000 0.000 3/50400 80.0 64.343 57.256 49.688 0.000 0.000 0.000 3/50400 90.0 48.406 43.046 37.133 0.000 0.000 0.000 3/50400 100.0 37.952 33.755 29.014 0.000 0.000 0.000 3/50400 110.0 30.775 27.379 23.487 0.000 0.000 0.000 3/50400 120.0 25.649 22.823 19.561 0.000 0.000 0.000 3/50400 130.0 21.863 19.454 16.669 0.000 0.000 0.000 3/50400 140.0 18.984 16.888 14.474 0.000 0.000 0.000 3/50400 150.0 16.738 14.886 12.763 0.000 0.000 0.000 3/50400 160.0 14.949 13.288 11.401 0.000 0.000 0.000 3/50400 170.0 13.497 11.991 10.295 0.000 0.000 0.000 3/50400 180.0 12.297 10.919 9.382 0.000 0.000 0.000 3/50400 190.0 11.293 10.021 8.617 0.000 0.000 0.000 3/50400 200.0 10.441 9.259 7.968 0.000 0.000 0.000 3/50400 210.0 9.710 8.606 7.411 0.000 0.000 0.000 3/50400 220.0 9.077 8.039 6.928 0.000 0.000 0.000 3/50400 230.0 8.523 7.544 6.506 0.000 0.000 0.000 3/50400 240.0 8.035 7.107 6.133 0.000 0.000 0.000 3/50400 250.0 7.601 6.720 5.803 0.000 0.000 0.000 3/50400 260.0 7.213 6.374 5.507 0.000 0.000 0.000 3/50400 270.0 6.865 6.063 5.241 0.000 0.000 0.000 3/50400 280.0 6.550 5.781 5.000 0.000 0.000 0.000 3/50400 290.0 6.264 5.526 4.782 0.000 0.000 0.000 3/50400 300.0 6.002 5.293 4.582 0.000 0.000 0.000 3/50400 310.0 5.763 5.080 4.399 0.000 0.000 0.000 3/50400 320.0 5.543 4.884 4.231 0.000 0.000 0.000 3/50400 330.0 5.340 4.703 4.076 0.000 0.000 0.000 3/50400 340.0 5.151 4.535 3.932 0.000 0.000 0.000 3/50400 350.0 4.977 4.380 3.799 0.000 0.000 0.000 3/50400 360.0 4.814 4.235 3.674 0.000 0.000 0.000 3/50400 370.0 4.662 4.100 3.558 0.000 0.000 0.000 3/50400 380.0 4.519 3.973 3.449 0.000 0.000 0.000 3/50400 390.0 4.386 3.855 3.347 0.000 0.000 0.000 3/50400 400.0 4.260 3.743 3.251 0.000 0.000 0.000 3/50400 410.0 4.142 3.639 3.161 0.000 0.000 0.000 3/50400 420.0 4.030 3.540 3.076 0.000 0.000 0.000 3/50400 430.0 3.925 3.446 2.995 0.000 0.000 0.000 3/50400 440.0 3.825 3.358 2.919 0.000 0.000 0.000 3/50400 450.0 3.730 3.274 2.846 0.000 0.000 0.000 3/50400 460.0 3.640 3.194 2.777 0.000 0.000 0.000 3/50400 470.0 3.555 3.118 2.712 0.000 0.000 0.000 3/50400 480.0 3.473 3.046 2.650 0.000 0.000 0.000 3/50400 490.0 3.396 2.977 2.590 0.000 0.000 0.000 3/50400 500.0 3.321 2.912 2.534 0.000 0.000 0.000 3/50400 510.0 3.250 2.849 2.479 0.000 0.000 0.000 3/50400 520.0 3.183 2.789 2.428 0.000 0.000 0.000 3/50400 530.0 3.118 2.732 2.378 0.000 0.000 0.000 3/50400 540.0 3.055 2.677 2.330 0.000 0.000 0.000 3/50400 550.0 2.995 2.624 2.285 0.000 0.000 0.000 3/50400 560.0 2.938 2.573 2.241 0.000 0.000 0.000 3/50400 570.0 2.883 2.525 2.199 0.000 0.000 0.000 3/50400 580.0 2.830 2.478 2.158 0.000 0.000 0.000 3/50400 590.0 2.779 2.433 2.119 0.000 0.000 0.000 3/50400 600.0 2.729 2.389 2.081 0.000 0.000 0.000 3/50400 610.0 2.682 2.347 2.045 0.000 0.000 0.000 3/50400 620.0 2.636 2.307 2.010 0.000 0.000 0.000 3/50400 630.0 2.592 2.268 1.976 0.000 0.000 0.000 3/50400 640.0 2.549 2.230 1.944 0.000 0.000 0.000 3/50400 650.0 2.508 2.194 1.912 0.000 0.000 0.000 3/50400 660.0 2.468 2.159 1.882 0.000 0.000 0.000 3/50400 670.0 2.429 2.125 1.852 0.000 0.000 0.000 3/50400 680.0 2.391 2.092 1.823 0.000 0.000 0.000 3/50400 690.0 2.355 2.060 1.796 0.000 0.000 0.000 3/50400 700.0 2.320 2.029 1.769 0.000 0.000 0.000 3/50400 710.0 2.286 1.999 1.743 0.000 0.000 0.000 3/50400 720.0 2.253 1.970 1.717 0.000 0.000 0.000 3/50400 730.0 2.221 1.941 1.693 0.000 0.000 0.000 3/50400 740.0 2.189 1.914 1.669 0.000 0.000 0.000 3/50400 750.0 2.159 1.887 1.646 0.000 0.000 0.000 3/50400 760.0 2.129 1.861 1.623 0.000 0.000 0.000 3/50400 770.0 2.101 1.836 1.601 0.000 0.000 0.000 3/50400 780.0 2.073 1.812 1.580 0.000 0.000 0.000 3/50400 790.0 2.046 1.788 1.559 0.000 0.000 0.000 3/50400 800.0 2.019 1.765 1.539 0.000 0.000 0.000 3/50400 810.0 1.993 1.742 1.519 0.000 0.000 0.000 3/50400 820.0 1.968 1.720 1.500 0.000 0.000 0.000 3/50400 830.0 1.944 1.698 1.482 0.000 0.000 0.000 3/50400 840.0 1.920 1.677 1.463 0.000 0.000 0.000 3/50400 850.0 1.897 1.657 1.446 0.000 0.000 0.000 3/50400 860.0 1.874 1.637 1.428 0.000 0.000 0.000 3/50400 870.0 1.852 1.618 1.411 0.000 0.000 0.000 3/50400 880.0 1.830 1.599 1.395 0.000 0.000 0.000 3/50400 890.0 1.809 1.580 1.379 0.000 0.000 0.000 3/50400 900.0 1.788 1.562 1.363 0.000 0.000 0.000 3/50400 910.0 1.768 1.544 1.348 0.000 0.000 0.000 3/50400 920.0 1.748 1.527 1.333 0.000 0.000 0.000 3/50400 930.0 1.729 1.510 1.318 0.000 0.000 0.000 3/50400 940.0 1.710 1.494 1.304 0.000 0.000 0.000 3/50400 950.0 1.692 1.477 1.289 0.000 0.000 0.000 3/50400 960.0 1.674 1.462 1.276 0.000 0.000 0.000 3/50400 970.0 1.656 1.446 1.262 0.000 0.000 0.000 3/50400 980.0 1.639 1.431 1.249 0.000 0.000 0.000 3/50400 990.0 1.622 1.416 1.236 0.000 0.000 0.000 3/50400 1000.0 1.605 1.402 1.224 0.000 0.000 0.000 3/50400 Thermal conductivity related properties were written into "kappa-m1046.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:55:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|