----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:18:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.712882960061184 0.000000000000000 0.000000000000000 b 0.000000000000000 14.099515709999999 0.000000000000000 c -3.620493388468682 0.000000000000000 8.550217416227810 Atomic positions (fractional): *1 Li 0.57669202777433 0.33469242173503 0.50560746120480 6.941 *2 Li 0.04847482231897 0.11185363465087 0.20871923791897 6.941 3 Li 0.95152517768103 0.61185363465087 0.29128076208103 6.941 4 Li 0.95152517768103 0.88814636534913 0.79128076208103 6.941 5 Li 0.04847482231897 0.38814636534913 0.70871923791897 6.941 6 Li 0.57669202777433 0.16530757826497 0.00560746120480 6.941 7 Li 0.42330797222567 0.66530757826497 0.49439253879520 6.941 8 Li 0.42330797222567 0.83469242173503 0.99439253879520 6.941 *9 Li 0.41460154665126 0.28437243901402 0.70873843256841 6.941 10 Li 0.58539845334874 0.78437243901402 0.79126156743159 6.941 11 Li 0.58539845334874 0.71562756098598 0.29126156743159 6.941 12 Li 0.41460154665126 0.21562756098598 0.20873843256841 6.941 *13 B 0.73763377660364 0.98495265638558 0.98690649623291 10.811 *14 B 0.88633074940574 0.17664234266588 0.48126656790796 10.811 15 B 0.11366925059426 0.67664234266588 0.01873343209204 10.811 16 B 0.11366925059426 0.82335765733412 0.51873343209204 10.811 17 B 0.88633074940574 0.32335765733412 0.98126656790796 10.811 18 B 0.26236622339636 0.48495265638558 0.51309350376709 10.811 19 B 0.73763377660364 0.51504734361442 0.48690649623291 10.811 20 B 0.26236622339636 0.01504734361442 0.01309350376709 10.811 *21 B 0.38395062406297 0.16292416042969 0.47254896996153 10.811 22 B 0.61604937593703 0.66292416042969 0.02745103003847 10.811 23 B 0.61604937593703 0.83707583957031 0.52745103003847 10.811 24 B 0.38395062406297 0.33707583957031 0.97254896996153 10.811 *25 O 0.30786432531086 0.10331392239348 0.08152752152715 15.999 *26 O 0.84451767976634 0.50746738442636 0.64816836297854 15.999 27 O 0.84451767976634 0.99253261557364 0.14816836297854 15.999 28 O 0.15548232023366 0.49253261557364 0.35183163702146 15.999 29 O 0.30786432531086 0.39668607760652 0.58152752152715 15.999 30 O 0.15548232023366 0.00746738442636 0.85183163702146 15.999 31 O 0.69213567468913 0.89668607760652 0.91847247847285 15.999 32 O 0.69213567468913 0.60331392239348 0.41847247847285 15.999 *33 O 0.49541814753252 0.16752591398875 0.63389134009665 15.999 34 O 0.50458185246748 0.66752591398875 0.86610865990335 15.999 35 O 0.50458185246748 0.83247408601125 0.36610865990335 15.999 36 O 0.49541814753252 0.33247408601125 0.13389134009665 15.999 *37 O 0.33355056045207 0.07346837757861 0.40636940764891 15.999 38 O 0.66644943954793 0.57346837757861 0.09363059235109 15.999 39 O 0.66644943954793 0.92653162242139 0.59363059235110 15.999 40 O 0.33355056045207 0.42653162242139 0.90636940764890 15.999 *41 O 0.31876259966219 0.24270423078404 0.37974357135913 15.999 42 O 0.68123740033781 0.74270423078404 0.12025642864087 15.999 43 O 0.68123740033781 0.75729576921596 0.62025642864087 15.999 44 O 0.31876259966219 0.25729576921596 0.87974357135913 15.999 *45 O 0.95524668811604 0.09381969315411 0.56853772593405 15.999 46 O 0.04475331188396 0.59381969315411 0.93146227406595 15.999 47 O 0.04475331188396 0.90618030684589 0.43146227406595 15.999 48 O 0.95524668811604 0.40618030684589 0.06853772593405 15.999 *49 O 0.90851440531741 0.26259714762100 0.55544437149672 15.999 50 O 0.09148559468259 0.76259714762100 0.94455562850328 15.999 51 O 0.09148559468259 0.73740285237900 0.44455562850328 15.999 *52 O 0.67781695179872 0.43448666376489 0.39460519052477 15.999 *53 O 0.78661709103772 0.16931397276145 0.31956774928076 15.999 54 O 0.21338290896228 0.66931397276145 0.18043225071924 15.999 55 O 0.21338290896228 0.83068602723855 0.68043225071924 15.999 56 O 0.78661709103772 0.33068602723855 0.81956774928076 15.999 57 O 0.67781695179872 0.06551333623511 0.89460519052477 15.999 58 O 0.32218304820128 0.56551333623511 0.60539480947523 15.999 59 O 0.32218304820128 0.93448666376489 0.10539480947523 15.999 60 O 0.90851440531741 0.23740285237900 0.05544437149672 15.999 *61 Nd 0.34724890370610 0.49743195403930 0.15927969609308 144.242 62 Nd 0.65275109629390 0.99743195403930 0.34072030390692 144.242 63 Nd 0.65275109629390 0.50256804596070 0.84072030390692 144.242 64 Nd 0.34724890370610 0.00256804596070 0.65927969609308 144.242 *65 Nd 0.94176464101500 0.33608431874550 0.30759398907689 144.242 66 Nd 0.05823535898500 0.83608431874550 0.19240601092311 144.242 67 Nd 0.05823535898500 0.66391568125450 0.69240601092312 144.242 68 Nd 0.94176464101500 0.16391568125450 0.80759398907688 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.712882960061184 0.000000000000000 0.000000000000000 b 0.000000000000000 14.099515709999999 0.000000000000000 c -3.620493388468682 0.000000000000000 8.550217416227810 Atomic positions (fractional): *1 Li 0.57669202777433 0.33469242173503 0.50560746120480 6.941 > 1 *2 Li 0.04847482231897 0.11185363465087 0.20871923791897 6.941 > 2 3 Li 0.95152517768103 0.61185363465087 0.29128076208103 6.941 > 3 4 Li 0.95152517768103 0.88814636534913 0.79128076208103 6.941 > 4 5 Li 0.04847482231897 0.38814636534913 0.70871923791897 6.941 > 5 6 Li 0.57669202777433 0.16530757826497 0.00560746120480 6.941 > 6 7 Li 0.42330797222567 0.66530757826497 0.49439253879520 6.941 > 7 8 Li 0.42330797222567 0.83469242173503 0.99439253879520 6.941 > 8 *9 Li 0.41460154665126 0.28437243901402 0.70873843256841 6.941 > 9 10 Li 0.58539845334874 0.78437243901402 0.79126156743159 6.941 > 10 11 Li 0.58539845334874 0.71562756098598 0.29126156743159 6.941 > 11 12 Li 0.41460154665126 0.21562756098598 0.20873843256841 6.941 > 12 *13 B 0.73763377660364 0.98495265638558 0.98690649623291 10.811 > 13 *14 B 0.88633074940574 0.17664234266588 0.48126656790796 10.811 > 14 15 B 0.11366925059426 0.67664234266588 0.01873343209204 10.811 > 15 16 B 0.11366925059426 0.82335765733412 0.51873343209204 10.811 > 16 17 B 0.88633074940574 0.32335765733412 0.98126656790796 10.811 > 17 18 B 0.26236622339636 0.48495265638558 0.51309350376709 10.811 > 18 19 B 0.73763377660364 0.51504734361442 0.48690649623291 10.811 > 19 20 B 0.26236622339636 0.01504734361442 0.01309350376709 10.811 > 20 *21 B 0.38395062406297 0.16292416042969 0.47254896996153 10.811 > 21 22 B 0.61604937593703 0.66292416042969 0.02745103003847 10.811 > 22 23 B 0.61604937593703 0.83707583957031 0.52745103003847 10.811 > 23 24 B 0.38395062406297 0.33707583957031 0.97254896996153 10.811 > 24 *25 O 0.30786432531086 0.10331392239348 0.08152752152715 15.999 > 25 *26 O 0.84451767976634 0.50746738442636 0.64816836297854 15.999 > 26 27 O 0.84451767976634 0.99253261557364 0.14816836297854 15.999 > 27 28 O 0.15548232023366 0.49253261557364 0.35183163702146 15.999 > 28 29 O 0.30786432531086 0.39668607760652 0.58152752152715 15.999 > 29 30 O 0.15548232023366 0.00746738442636 0.85183163702146 15.999 > 30 31 O 0.69213567468913 0.89668607760652 0.91847247847285 15.999 > 31 32 O 0.69213567468913 0.60331392239348 0.41847247847285 15.999 > 32 *33 O 0.49541814753252 0.16752591398875 0.63389134009665 15.999 > 33 34 O 0.50458185246748 0.66752591398875 0.86610865990335 15.999 > 34 35 O 0.50458185246748 0.83247408601125 0.36610865990335 15.999 > 35 36 O 0.49541814753252 0.33247408601125 0.13389134009665 15.999 > 36 *37 O 0.33355056045207 0.07346837757861 0.40636940764891 15.999 > 37 38 O 0.66644943954793 0.57346837757861 0.09363059235109 15.999 > 38 39 O 0.66644943954793 0.92653162242139 0.59363059235110 15.999 > 39 40 O 0.33355056045207 0.42653162242139 0.90636940764890 15.999 > 40 *41 O 0.31876259966219 0.24270423078404 0.37974357135913 15.999 > 41 42 O 0.68123740033781 0.74270423078404 0.12025642864087 15.999 > 42 43 O 0.68123740033781 0.75729576921596 0.62025642864087 15.999 > 43 44 O 0.31876259966219 0.25729576921596 0.87974357135913 15.999 > 44 *45 O 0.95524668811604 0.09381969315411 0.56853772593405 15.999 > 45 46 O 0.04475331188396 0.59381969315411 0.93146227406595 15.999 > 46 47 O 0.04475331188396 0.90618030684589 0.43146227406595 15.999 > 47 48 O 0.95524668811604 0.40618030684589 0.06853772593405 15.999 > 48 *49 O 0.90851440531741 0.26259714762100 0.55544437149672 15.999 > 49 50 O 0.09148559468259 0.76259714762100 0.94455562850328 15.999 > 50 51 O 0.09148559468259 0.73740285237900 0.44455562850328 15.999 > 51 *52 O 0.67781695179872 0.43448666376489 0.39460519052477 15.999 > 52 *53 O 0.78661709103772 0.16931397276145 0.31956774928076 15.999 > 53 54 O 0.21338290896228 0.66931397276145 0.18043225071924 15.999 > 54 55 O 0.21338290896228 0.83068602723855 0.68043225071924 15.999 > 55 56 O 0.78661709103772 0.33068602723855 0.81956774928076 15.999 > 56 57 O 0.67781695179872 0.06551333623511 0.89460519052477 15.999 > 57 58 O 0.32218304820128 0.56551333623511 0.60539480947523 15.999 > 58 59 O 0.32218304820128 0.93448666376489 0.10539480947523 15.999 > 59 60 O 0.90851440531741 0.23740285237900 0.05544437149672 15.999 > 60 *61 Nd 0.34724890370610 0.49743195403930 0.15927969609308 144.242 > 61 62 Nd 0.65275109629390 0.99743195403930 0.34072030390692 144.242 > 62 63 Nd 0.65275109629390 0.50256804596070 0.84072030390692 144.242 > 63 64 Nd 0.34724890370610 0.00256804596070 0.65927969609308 144.242 > 64 *65 Nd 0.94176464101500 0.33608431874550 0.30759398907689 144.242 > 65 66 Nd 0.05823535898500 0.83608431874550 0.19240601092311 144.242 > 66 67 Nd 0.05823535898500 0.66391568125450 0.69240601092312 144.242 > 67 68 Nd 0.94176464101500 0.16391568125450 0.80759398907688 144.242 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.425765920122368 0.000000000000000 0.000000000000000 b 0.000000000000000 14.099515709999999 0.000000000000000 c -3.620493388468682 0.000000000000000 8.550217416227810 Atomic positions (fractional): *1 Li 0.28834601388717 0.33469242173503 0.50560746120480 6.941 > 1 2 Li 0.78834601388717 0.33469242173503 0.50560746120480 6.941 > 1 *3 Li 0.02423741115949 0.11185363465087 0.20871923791897 6.941 > 2 4 Li 0.52423741115949 0.11185363465087 0.20871923791897 6.941 > 2 5 Li 0.47576258884051 0.61185363465087 0.29128076208103 6.941 > 3 6 Li 0.97576258884051 0.61185363465087 0.29128076208103 6.941 > 3 7 Li 0.47576258884051 0.88814636534913 0.79128076208103 6.941 > 4 8 Li 0.97576258884051 0.88814636534913 0.79128076208103 6.941 > 4 9 Li 0.02423741115949 0.38814636534913 0.70871923791897 6.941 > 5 10 Li 0.52423741115949 0.38814636534913 0.70871923791897 6.941 > 5 11 Li 0.28834601388717 0.16530757826497 0.00560746120480 6.941 > 6 12 Li 0.78834601388717 0.16530757826497 0.00560746120480 6.941 > 6 13 Li 0.21165398611283 0.66530757826497 0.49439253879520 6.941 > 7 14 Li 0.71165398611283 0.66530757826497 0.49439253879520 6.941 > 7 15 Li 0.21165398611283 0.83469242173503 0.99439253879520 6.941 > 8 16 Li 0.71165398611283 0.83469242173503 0.99439253879520 6.941 > 8 *17 Li 0.20730077332563 0.28437243901402 0.70873843256841 6.941 > 9 18 Li 0.70730077332563 0.28437243901402 0.70873843256841 6.941 > 9 19 Li 0.29269922667437 0.78437243901402 0.79126156743159 6.941 > 10 20 Li 0.79269922667437 0.78437243901402 0.79126156743159 6.941 > 10 21 Li 0.29269922667437 0.71562756098598 0.29126156743159 6.941 > 11 22 Li 0.79269922667437 0.71562756098598 0.29126156743159 6.941 > 11 23 Li 0.20730077332563 0.21562756098598 0.20873843256841 6.941 > 12 24 Li 0.70730077332563 0.21562756098598 0.20873843256841 6.941 > 12 *25 B 0.36881688830182 0.98495265638558 0.98690649623291 10.811 > 13 26 B 0.86881688830182 0.98495265638558 0.98690649623291 10.811 > 13 *27 B 0.44316537470287 0.17664234266588 0.48126656790796 10.811 > 14 28 B 0.94316537470287 0.17664234266588 0.48126656790796 10.811 > 14 29 B 0.05683462529713 0.67664234266588 0.01873343209204 10.811 > 15 30 B 0.55683462529713 0.67664234266588 0.01873343209204 10.811 > 15 31 B 0.05683462529713 0.82335765733412 0.51873343209204 10.811 > 16 32 B 0.55683462529713 0.82335765733412 0.51873343209204 10.811 > 16 33 B 0.44316537470287 0.32335765733412 0.98126656790796 10.811 > 17 34 B 0.94316537470287 0.32335765733412 0.98126656790796 10.811 > 17 35 B 0.13118311169818 0.48495265638558 0.51309350376709 10.811 > 18 36 B 0.63118311169818 0.48495265638558 0.51309350376709 10.811 > 18 37 B 0.36881688830182 0.51504734361442 0.48690649623291 10.811 > 19 38 B 0.86881688830182 0.51504734361442 0.48690649623291 10.811 > 19 39 B 0.13118311169818 0.01504734361442 0.01309350376709 10.811 > 20 40 B 0.63118311169818 0.01504734361442 0.01309350376709 10.811 > 20 *41 B 0.19197531203148 0.16292416042969 0.47254896996153 10.811 > 21 42 B 0.69197531203148 0.16292416042969 0.47254896996153 10.811 > 21 43 B 0.30802468796852 0.66292416042969 0.02745103003847 10.811 > 22 44 B 0.80802468796852 0.66292416042969 0.02745103003847 10.811 > 22 45 B 0.30802468796852 0.83707583957031 0.52745103003847 10.811 > 23 46 B 0.80802468796852 0.83707583957031 0.52745103003847 10.811 > 23 47 B 0.19197531203148 0.33707583957031 0.97254896996153 10.811 > 24 48 B 0.69197531203148 0.33707583957031 0.97254896996153 10.811 > 24 *49 O 0.15393216265543 0.10331392239348 0.08152752152715 15.999 > 25 50 O 0.65393216265543 0.10331392239348 0.08152752152715 15.999 > 25 *51 O 0.42225883988317 0.50746738442636 0.64816836297854 15.999 > 26 52 O 0.92225883988317 0.50746738442636 0.64816836297854 15.999 > 26 53 O 0.42225883988317 0.99253261557364 0.14816836297854 15.999 > 27 54 O 0.92225883988317 0.99253261557364 0.14816836297854 15.999 > 27 55 O 0.07774116011683 0.49253261557364 0.35183163702146 15.999 > 28 56 O 0.57774116011683 0.49253261557364 0.35183163702146 15.999 > 28 57 O 0.15393216265543 0.39668607760652 0.58152752152715 15.999 > 29 58 O 0.65393216265543 0.39668607760652 0.58152752152715 15.999 > 29 59 O 0.07774116011683 0.00746738442636 0.85183163702146 15.999 > 30 60 O 0.57774116011683 0.00746738442636 0.85183163702146 15.999 > 30 61 O 0.34606783734457 0.89668607760652 0.91847247847285 15.999 > 31 62 O 0.84606783734457 0.89668607760652 0.91847247847285 15.999 > 31 63 O 0.34606783734457 0.60331392239348 0.41847247847285 15.999 > 32 64 O 0.84606783734457 0.60331392239348 0.41847247847285 15.999 > 32 *65 O 0.24770907376626 0.16752591398875 0.63389134009665 15.999 > 33 66 O 0.74770907376626 0.16752591398875 0.63389134009665 15.999 > 33 67 O 0.25229092623374 0.66752591398875 0.86610865990335 15.999 > 34 68 O 0.75229092623374 0.66752591398875 0.86610865990335 15.999 > 34 69 O 0.25229092623374 0.83247408601125 0.36610865990335 15.999 > 35 70 O 0.75229092623374 0.83247408601125 0.36610865990335 15.999 > 35 71 O 0.24770907376626 0.33247408601125 0.13389134009665 15.999 > 36 72 O 0.74770907376626 0.33247408601125 0.13389134009665 15.999 > 36 *73 O 0.16677528022604 0.07346837757861 0.40636940764891 15.999 > 37 74 O 0.66677528022604 0.07346837757861 0.40636940764891 15.999 > 37 75 O 0.33322471977396 0.57346837757861 0.09363059235109 15.999 > 38 76 O 0.83322471977396 0.57346837757861 0.09363059235109 15.999 > 38 77 O 0.33322471977396 0.92653162242139 0.59363059235110 15.999 > 39 78 O 0.83322471977396 0.92653162242139 0.59363059235110 15.999 > 39 79 O 0.16677528022604 0.42653162242139 0.90636940764890 15.999 > 40 80 O 0.66677528022604 0.42653162242139 0.90636940764890 15.999 > 40 *81 O 0.15938129983110 0.24270423078404 0.37974357135913 15.999 > 41 82 O 0.65938129983110 0.24270423078404 0.37974357135913 15.999 > 41 83 O 0.34061870016890 0.74270423078404 0.12025642864087 15.999 > 42 84 O 0.84061870016890 0.74270423078404 0.12025642864087 15.999 > 42 85 O 0.34061870016890 0.75729576921596 0.62025642864087 15.999 > 43 86 O 0.84061870016890 0.75729576921596 0.62025642864087 15.999 > 43 87 O 0.15938129983110 0.25729576921596 0.87974357135913 15.999 > 44 88 O 0.65938129983110 0.25729576921596 0.87974357135913 15.999 > 44 *89 O 0.47762334405802 0.09381969315411 0.56853772593405 15.999 > 45 90 O 0.97762334405802 0.09381969315411 0.56853772593405 15.999 > 45 91 O 0.02237665594198 0.59381969315411 0.93146227406595 15.999 > 46 92 O 0.52237665594198 0.59381969315411 0.93146227406595 15.999 > 46 93 O 0.02237665594198 0.90618030684589 0.43146227406595 15.999 > 47 94 O 0.52237665594198 0.90618030684589 0.43146227406595 15.999 > 47 95 O 0.47762334405802 0.40618030684589 0.06853772593405 15.999 > 48 96 O 0.97762334405802 0.40618030684589 0.06853772593405 15.999 > 48 *97 O 0.45425720265871 0.26259714762100 0.55544437149672 15.999 > 49 98 O 0.95425720265871 0.26259714762100 0.55544437149672 15.999 > 49 99 O 0.04574279734129 0.76259714762100 0.94455562850328 15.999 > 50 100 O 0.54574279734129 0.76259714762100 0.94455562850328 15.999 > 50 101 O 0.04574279734129 0.73740285237900 0.44455562850328 15.999 > 51 102 O 0.54574279734129 0.73740285237900 0.44455562850328 15.999 > 51 *103 O 0.33890847589936 0.43448666376489 0.39460519052477 15.999 > 52 104 O 0.83890847589936 0.43448666376489 0.39460519052477 15.999 > 52 *105 O 0.39330854551886 0.16931397276145 0.31956774928076 15.999 > 53 106 O 0.89330854551886 0.16931397276145 0.31956774928076 15.999 > 53 107 O 0.10669145448114 0.66931397276145 0.18043225071924 15.999 > 54 108 O 0.60669145448114 0.66931397276145 0.18043225071924 15.999 > 54 109 O 0.10669145448114 0.83068602723855 0.68043225071924 15.999 > 55 110 O 0.60669145448114 0.83068602723855 0.68043225071924 15.999 > 55 111 O 0.39330854551886 0.33068602723855 0.81956774928076 15.999 > 56 112 O 0.89330854551886 0.33068602723855 0.81956774928076 15.999 > 56 113 O 0.33890847589936 0.06551333623511 0.89460519052477 15.999 > 57 114 O 0.83890847589936 0.06551333623511 0.89460519052477 15.999 > 57 115 O 0.16109152410064 0.56551333623511 0.60539480947523 15.999 > 58 116 O 0.66109152410064 0.56551333623511 0.60539480947523 15.999 > 58 117 O 0.16109152410064 0.93448666376489 0.10539480947523 15.999 > 59 118 O 0.66109152410064 0.93448666376489 0.10539480947523 15.999 > 59 119 O 0.45425720265871 0.23740285237900 0.05544437149672 15.999 > 60 120 O 0.95425720265871 0.23740285237900 0.05544437149672 15.999 > 60 *121 Nd 0.17362445185305 0.49743195403930 0.15927969609308 144.242 > 61 122 Nd 0.67362445185305 0.49743195403930 0.15927969609308 144.242 > 61 123 Nd 0.32637554814695 0.99743195403930 0.34072030390692 144.242 > 62 124 Nd 0.82637554814695 0.99743195403930 0.34072030390692 144.242 > 62 125 Nd 0.32637554814695 0.50256804596070 0.84072030390692 144.242 > 63 126 Nd 0.82637554814695 0.50256804596070 0.84072030390692 144.242 > 63 127 Nd 0.17362445185305 0.00256804596070 0.65927969609308 144.242 > 64 128 Nd 0.67362445185305 0.00256804596070 0.65927969609308 144.242 > 64 *129 Nd 0.47088232050750 0.33608431874550 0.30759398907689 144.242 > 65 130 Nd 0.97088232050750 0.33608431874550 0.30759398907689 144.242 > 65 131 Nd 0.02911767949250 0.83608431874550 0.19240601092311 144.242 > 66 132 Nd 0.52911767949250 0.83608431874550 0.19240601092311 144.242 > 66 133 Nd 0.02911767949250 0.66391568125450 0.69240601092312 144.242 > 67 134 Nd 0.52911767949250 0.66391568125450 0.69240601092312 144.242 > 67 135 Nd 0.47088232050750 0.16391568125450 0.80759398907688 144.242 > 68 136 Nd 0.97088232050750 0.16391568125450 0.80759398907688 144.242 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2808969 0.0000000 0.0002900 0.0000000 3.6143504 0.0000000 0.0002892 0.0000000 3.6530330 -------------------------- Born effective charges -------------------------- 1 Li 1.1214497 0.0148171 -0.0063501 -0.0588058 1.2315539 -0.0038039 -0.0417078 -0.0416893 0.9514471 2 Li 1.0752818 -0.0011129 0.0090307 -0.0350753 1.1266853 0.0295577 -0.0398505 0.0622840 1.2076368 3 Li 1.0752818 0.0011129 0.0090307 0.0350753 1.1266853 -0.0295577 -0.0398505 -0.0622840 1.2076368 4 Li 1.0752818 -0.0011129 0.0090307 -0.0350753 1.1266853 0.0295577 -0.0398505 0.0622840 1.2076368 5 Li 1.0752818 0.0011129 0.0090307 0.0350753 1.1266853 -0.0295577 -0.0398505 -0.0622840 1.2076368 6 Li 1.1214497 -0.0148171 -0.0063501 0.0588058 1.2315539 0.0038039 -0.0417078 0.0416893 0.9514471 7 Li 1.1214497 0.0148171 -0.0063501 -0.0588058 1.2315539 -0.0038039 -0.0417078 -0.0416893 0.9514471 8 Li 1.1214497 -0.0148171 -0.0063501 0.0588058 1.2315539 0.0038039 -0.0417078 0.0416893 0.9514471 9 Li 1.0270781 -0.0257037 -0.0034288 -0.0229627 1.0960401 0.0584996 0.0730476 0.0355503 1.1290376 10 Li 1.0270781 0.0257037 -0.0034288 0.0229627 1.0960401 -0.0584996 0.0730476 -0.0355503 1.1290376 11 Li 1.0270781 -0.0257037 -0.0034288 -0.0229627 1.0960401 0.0584996 0.0730476 0.0355503 1.1290376 12 Li 1.0270781 0.0257037 -0.0034288 0.0229627 1.0960401 -0.0584996 0.0730476 -0.0355503 1.1290376 13 B 0.7422564 0.0944133 -0.2569704 -0.0083740 2.4307959 -0.3121911 0.0421974 -0.2410225 2.8272777 14 B 0.7512997 -0.2554585 0.0541591 -0.1821357 2.4185632 -0.0511099 -0.0303126 -0.0650801 2.3488332 15 B 0.7512997 0.2554585 0.0541591 0.1821357 2.4185632 0.0511099 -0.0303126 0.0650801 2.3488332 16 B 0.7512997 -0.2554585 0.0541591 -0.1821357 2.4185632 -0.0511099 -0.0303126 -0.0650801 2.3488332 17 B 0.7512997 0.2554585 0.0541591 0.1821357 2.4185632 0.0511099 -0.0303126 0.0650801 2.3488332 18 B 0.7422564 -0.0944133 -0.2569704 0.0083740 2.4307959 0.3121911 0.0421974 0.2410225 2.8272777 19 B 0.7422564 -0.0944133 -0.2569704 0.0083740 2.4307959 0.3121911 0.0421974 0.2410225 2.8272777 20 B 0.7422564 0.0944133 -0.2569704 -0.0083740 2.4307959 -0.3121911 0.0421974 -0.2410225 2.8272777 21 B 0.7641865 -0.4400938 0.3593819 0.0162344 2.7983782 -0.3079349 0.0702359 -0.2350124 2.5788612 22 B 0.7641865 0.4400938 0.3593819 -0.0162344 2.7983782 0.3079349 0.0702359 0.2350124 2.5788612 23 B 0.7641865 -0.4400938 0.3593819 0.0162344 2.7983782 -0.3079349 0.0702359 -0.2350124 2.5788612 24 B 0.7641865 0.4400938 0.3593819 -0.0162344 2.7983782 0.3079349 0.0702359 0.2350124 2.5788612 25 O -1.2344947 0.0630055 -0.1121521 0.1265874 -2.1807836 -0.0881172 -0.2722757 -0.1602451 -2.0166558 26 O -1.5793403 -0.2282616 0.3311362 -0.2677593 -1.6597180 -0.0733977 0.3605217 -0.0161500 -2.6728644 27 O -1.5793403 0.2282616 0.3311362 0.2677593 -1.6597180 0.0733977 0.3605217 0.0161500 -2.6728644 28 O -1.5793403 -0.2282616 0.3311362 -0.2677593 -1.6597180 -0.0733977 0.3605217 -0.0161500 -2.6728644 29 O -1.2344947 -0.0630055 -0.1121521 -0.1265874 -2.1807836 0.0881172 -0.2722757 0.1602451 -2.0166558 30 O -1.5793403 0.2282616 0.3311362 0.2677593 -1.6597180 0.0733977 0.3605217 0.0161500 -2.6728644 31 O -1.2344947 0.0630055 -0.1121521 0.1265874 -2.1807836 -0.0881172 -0.2722757 -0.1602451 -2.0166558 32 O -1.2344947 -0.0630055 -0.1121521 -0.1265874 -2.1807836 0.0881172 -0.2722757 0.1602451 -2.0166558 33 O -1.5652282 -0.1126184 -0.3914226 -0.2481614 -1.7467819 -0.0000794 -0.4215114 0.0301109 -2.4410855 34 O -1.5652282 0.1126184 -0.3914226 0.2481614 -1.7467819 0.0000794 -0.4215114 -0.0301109 -2.4410855 35 O -1.5652282 -0.1126184 -0.3914226 -0.2481614 -1.7467819 -0.0000794 -0.4215114 0.0301109 -2.4410855 36 O -1.5652282 0.1126184 -0.3914226 0.2481614 -1.7467819 0.0000794 -0.4215114 -0.0301109 -2.4410855 37 O -1.6204978 0.3036926 0.2627979 0.2434577 -2.2573170 -0.2154616 0.4032667 -0.2541395 -1.7910234 38 O -1.6204978 -0.3036926 0.2627979 -0.2434577 -2.2573170 0.2154616 0.4032667 0.2541395 -1.7910234 39 O -1.6204978 0.3036926 0.2627979 0.2434577 -2.2573170 -0.2154616 0.4032667 -0.2541395 -1.7910234 40 O -1.6204978 -0.3036926 0.2627979 -0.2434577 -2.2573170 0.2154616 0.4032667 0.2541395 -1.7910234 41 O -1.6281054 0.4906554 -0.2992030 0.4436674 -2.3816001 0.7014461 -0.2512473 0.6419095 -1.7243945 42 O -1.6281054 -0.4906554 -0.2992030 -0.4436674 -2.3816001 -0.7014461 -0.2512473 -0.6419095 -1.7243945 43 O -1.6281054 0.4906554 -0.2992030 0.4436674 -2.3816001 0.7014461 -0.2512473 0.6419095 -1.7243945 44 O -1.6281054 -0.4906554 -0.2992030 -0.4436674 -2.3816001 -0.7014461 -0.2512473 -0.6419095 -1.7243945 45 O -1.6195222 0.3160542 -0.1613091 0.4111420 -2.2310331 0.1760793 -0.1733931 0.1058405 -2.1985890 46 O -1.6195222 -0.3160542 -0.1613091 -0.4111420 -2.2310331 -0.1760793 -0.1733931 -0.1058405 -2.1985890 47 O -1.6195222 0.3160542 -0.1613091 0.4111420 -2.2310331 0.1760793 -0.1733931 0.1058405 -2.1985890 48 O -1.6195222 -0.3160542 -0.1613091 -0.4111420 -2.2310331 -0.1760793 -0.1733931 -0.1058405 -2.1985890 49 O -1.2546288 -0.0315149 0.2514746 -0.0752450 -2.3072540 -0.0656608 0.3476776 -0.0424160 -2.0312686 50 O -1.2546288 0.0315149 0.2514746 0.0752450 -2.3072540 0.0656608 0.3476776 0.0424160 -2.0312686 51 O -1.2546288 -0.0315149 0.2514746 -0.0752450 -2.3072540 -0.0656608 0.3476776 -0.0424160 -2.0312686 52 O -1.5831458 0.3958494 -0.0052028 0.5018202 -2.2357552 -0.5020490 -0.0528179 -0.4678322 -2.1270515 53 O -1.3457828 -0.3255898 -0.0030260 -0.3595309 -2.1525809 0.0451344 0.0013039 -0.0159469 -2.2505415 54 O -1.3457828 0.3255898 -0.0030260 0.3595309 -2.1525809 -0.0451344 0.0013039 0.0159469 -2.2505415 55 O -1.3457828 -0.3255898 -0.0030260 -0.3595309 -2.1525809 0.0451344 0.0013039 -0.0159469 -2.2505415 56 O -1.3457828 0.3255898 -0.0030260 0.3595309 -2.1525809 -0.0451344 0.0013039 0.0159469 -2.2505415 57 O -1.5831458 -0.3958494 -0.0052028 -0.5018202 -2.2357552 0.5020490 -0.0528179 0.4678322 -2.1270515 58 O -1.5831458 0.3958494 -0.0052028 0.5018202 -2.2357552 -0.5020490 -0.0528179 -0.4678322 -2.1270515 59 O -1.5831458 -0.3958494 -0.0052028 -0.5018202 -2.2357552 0.5020490 -0.0528179 0.4678322 -2.1270515 60 O -1.2546288 0.0315149 0.2514746 0.0752450 -2.3072540 0.0656608 0.3476776 0.0424160 -2.0312686 61 Nd 4.0201593 -0.2074495 0.0223677 0.1283452 3.8804809 -0.0781920 -0.1453901 -0.1874294 4.0810502 62 Nd 4.0201593 0.2074495 0.0223677 -0.1283452 3.8804809 0.0781920 -0.1453901 0.1874294 4.0810502 63 Nd 4.0201593 -0.2074495 0.0223677 0.1283452 3.8804809 -0.0781920 -0.1453901 -0.1874294 4.0810502 64 Nd 4.0201593 0.2074495 0.0223677 -0.1283452 3.8804809 0.0781920 -0.1453901 0.1874294 4.0810502 65 Nd 3.9290346 0.1273472 -0.0512832 -0.2064898 4.1703264 -0.1839894 0.1302556 -0.1706082 4.1293305 66 Nd 3.9290346 -0.1273472 -0.0512832 0.2064898 4.1703264 0.1839894 0.1302556 0.1706082 4.1293305 67 Nd 3.9290346 0.1273472 -0.0512832 -0.2064898 4.1703264 -0.1839894 0.1302556 -0.1706082 4.1293305 68 Nd 3.9290346 -0.1273472 -0.0512832 0.2064898 4.1703264 0.1839894 0.1302556 0.1706082 4.1293305 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 140 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 140 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 106), data: (2312, 140) @ (140, 106) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 106), data: (2312, 140) @ (140, 106) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2080 - Time: 3.593 Solver_block: 200 / 2080 - Time: 3.165 Solver_block: 300 / 2080 - Time: 3.205 Solver_block: 400 / 2080 - Time: 3.143 Solver_block: 500 / 2080 - Time: 3.181 Solver_block: 600 / 2080 - Time: 3.175 Solver_block: 700 / 2080 - Time: 3.174 Solver_block: 800 / 2080 - Time: 3.177 Solver_block: 900 / 2080 - Time: 3.174 Solver_block: 1000 / 2080 - Time: 3.166 Solver_block: 1100 / 2080 - Time: 3.141 Solver_block: 1200 / 2080 - Time: 3.155 Solver_block: 1300 / 2080 - Time: 3.189 Solver_block: 1400 / 2080 - Time: 3.156 Solver_block: 1500 / 2080 - Time: 3.165 Solver_block: 1600 / 2080 - Time: 3.159 Solver_block: 1700 / 2080 - Time: 3.165 Solver_block: 1800 / 2080 - Time: 3.141 Solver_block: 1900 / 2080 - Time: 3.199 Solver_block: 2000 / 2080 - Time: 3.173 Solver_block: 2080 / 2080 - Time: 2.620 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 68.393 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 140 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 140 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 106), data: (2312, 140) @ (140, 106) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 106), data: (2312, 140) @ (140, 106) |-- (312, 278), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 01:21:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:21:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.712882960061184 0.000000000000000 0.000000000000000 b 0.000000000000000 14.099515709999999 0.000000000000000 c -3.620493388468682 0.000000000000000 8.550217416227810 Atomic positions (fractional): 1 Li 0.57669202777433 0.33469242173503 0.50560746120480 6.941 2 Li 0.04847482231897 0.11185363465087 0.20871923791897 6.941 3 Li 0.95152517768103 0.61185363465087 0.29128076208103 6.941 4 Li 0.95152517768103 0.88814636534913 0.79128076208103 6.941 5 Li 0.04847482231897 0.38814636534913 0.70871923791897 6.941 6 Li 0.57669202777433 0.16530757826497 0.00560746120480 6.941 7 Li 0.42330797222567 0.66530757826497 0.49439253879520 6.941 8 Li 0.42330797222567 0.83469242173503 0.99439253879520 6.941 9 Li 0.41460154665126 0.28437243901402 0.70873843256841 6.941 10 Li 0.58539845334874 0.78437243901402 0.79126156743159 6.941 11 Li 0.58539845334874 0.71562756098598 0.29126156743159 6.941 12 Li 0.41460154665126 0.21562756098598 0.20873843256841 6.941 13 B 0.73763377660364 0.98495265638558 0.98690649623291 10.811 14 B 0.88633074940574 0.17664234266588 0.48126656790796 10.811 15 B 0.11366925059426 0.67664234266588 0.01873343209204 10.811 16 B 0.11366925059426 0.82335765733412 0.51873343209204 10.811 17 B 0.88633074940574 0.32335765733412 0.98126656790796 10.811 18 B 0.26236622339636 0.48495265638558 0.51309350376709 10.811 19 B 0.73763377660364 0.51504734361442 0.48690649623291 10.811 20 B 0.26236622339636 0.01504734361442 0.01309350376709 10.811 21 B 0.38395062406297 0.16292416042969 0.47254896996153 10.811 22 B 0.61604937593703 0.66292416042969 0.02745103003847 10.811 23 B 0.61604937593703 0.83707583957031 0.52745103003847 10.811 24 B 0.38395062406297 0.33707583957031 0.97254896996153 10.811 25 O 0.30786432531086 0.10331392239348 0.08152752152715 15.999 26 O 0.84451767976634 0.50746738442636 0.64816836297854 15.999 27 O 0.84451767976634 0.99253261557364 0.14816836297854 15.999 28 O 0.15548232023366 0.49253261557364 0.35183163702146 15.999 29 O 0.30786432531086 0.39668607760652 0.58152752152715 15.999 30 O 0.15548232023366 0.00746738442636 0.85183163702146 15.999 31 O 0.69213567468913 0.89668607760652 0.91847247847285 15.999 32 O 0.69213567468913 0.60331392239348 0.41847247847285 15.999 33 O 0.49541814753252 0.16752591398875 0.63389134009665 15.999 34 O 0.50458185246748 0.66752591398875 0.86610865990335 15.999 35 O 0.50458185246748 0.83247408601125 0.36610865990335 15.999 36 O 0.49541814753252 0.33247408601125 0.13389134009665 15.999 37 O 0.33355056045207 0.07346837757861 0.40636940764891 15.999 38 O 0.66644943954793 0.57346837757861 0.09363059235109 15.999 39 O 0.66644943954793 0.92653162242139 0.59363059235110 15.999 40 O 0.33355056045207 0.42653162242139 0.90636940764890 15.999 41 O 0.31876259966219 0.24270423078404 0.37974357135913 15.999 42 O 0.68123740033781 0.74270423078404 0.12025642864087 15.999 43 O 0.68123740033781 0.75729576921596 0.62025642864087 15.999 44 O 0.31876259966219 0.25729576921596 0.87974357135913 15.999 45 O 0.95524668811604 0.09381969315411 0.56853772593405 15.999 46 O 0.04475331188396 0.59381969315411 0.93146227406595 15.999 47 O 0.04475331188396 0.90618030684589 0.43146227406595 15.999 48 O 0.95524668811604 0.40618030684589 0.06853772593405 15.999 49 O 0.90851440531741 0.26259714762100 0.55544437149672 15.999 50 O 0.09148559468259 0.76259714762100 0.94455562850328 15.999 51 O 0.09148559468259 0.73740285237900 0.44455562850328 15.999 52 O 0.67781695179872 0.43448666376489 0.39460519052477 15.999 53 O 0.78661709103772 0.16931397276145 0.31956774928076 15.999 54 O 0.21338290896228 0.66931397276145 0.18043225071924 15.999 55 O 0.21338290896228 0.83068602723855 0.68043225071924 15.999 56 O 0.78661709103772 0.33068602723855 0.81956774928076 15.999 57 O 0.67781695179872 0.06551333623511 0.89460519052477 15.999 58 O 0.32218304820128 0.56551333623511 0.60539480947523 15.999 59 O 0.32218304820128 0.93448666376489 0.10539480947523 15.999 60 O 0.90851440531741 0.23740285237900 0.05544437149672 15.999 61 Nd 0.34724890370610 0.49743195403930 0.15927969609308 144.242 62 Nd 0.65275109629390 0.99743195403930 0.34072030390692 144.242 63 Nd 0.65275109629390 0.50256804596070 0.84072030390692 144.242 64 Nd 0.34724890370610 0.00256804596070 0.65927969609308 144.242 65 Nd 0.94176464101500 0.33608431874550 0.30759398907689 144.242 66 Nd 0.05823535898500 0.83608431874550 0.19240601092311 144.242 67 Nd 0.05823535898500 0.66391568125450 0.69240601092312 144.242 68 Nd 0.94176464101500 0.16391568125450 0.80759398907688 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.425765920122368 0.000000000000000 0.000000000000000 b 0.000000000000000 14.099515709999999 0.000000000000000 c -3.620493388468682 0.000000000000000 8.550217416227810 Atomic positions (fractional): 1 Li 0.28834601388717 0.33469242173503 0.50560746120480 6.941 > 1 2 Li 0.78834601388717 0.33469242173503 0.50560746120480 6.941 > 1 3 Li 0.02423741115949 0.11185363465087 0.20871923791897 6.941 > 3 4 Li 0.52423741115949 0.11185363465087 0.20871923791897 6.941 > 3 5 Li 0.47576258884051 0.61185363465087 0.29128076208103 6.941 > 5 6 Li 0.97576258884051 0.61185363465087 0.29128076208103 6.941 > 5 7 Li 0.47576258884051 0.88814636534913 0.79128076208103 6.941 > 7 8 Li 0.97576258884051 0.88814636534913 0.79128076208103 6.941 > 7 9 Li 0.02423741115949 0.38814636534913 0.70871923791897 6.941 > 9 10 Li 0.52423741115949 0.38814636534913 0.70871923791897 6.941 > 9 11 Li 0.28834601388717 0.16530757826497 0.00560746120480 6.941 > 11 12 Li 0.78834601388717 0.16530757826497 0.00560746120480 6.941 > 11 13 Li 0.21165398611283 0.66530757826497 0.49439253879520 6.941 > 13 14 Li 0.71165398611283 0.66530757826497 0.49439253879520 6.941 > 13 15 Li 0.21165398611283 0.83469242173503 0.99439253879520 6.941 > 15 16 Li 0.71165398611283 0.83469242173503 0.99439253879520 6.941 > 15 17 Li 0.20730077332563 0.28437243901402 0.70873843256841 6.941 > 17 18 Li 0.70730077332563 0.28437243901402 0.70873843256841 6.941 > 17 19 Li 0.29269922667437 0.78437243901402 0.79126156743159 6.941 > 19 20 Li 0.79269922667437 0.78437243901402 0.79126156743159 6.941 > 19 21 Li 0.29269922667437 0.71562756098598 0.29126156743159 6.941 > 21 22 Li 0.79269922667437 0.71562756098598 0.29126156743159 6.941 > 21 23 Li 0.20730077332563 0.21562756098598 0.20873843256841 6.941 > 23 24 Li 0.70730077332563 0.21562756098598 0.20873843256841 6.941 > 23 25 B 0.36881688830182 0.98495265638558 0.98690649623291 10.811 > 25 26 B 0.86881688830182 0.98495265638558 0.98690649623291 10.811 > 25 27 B 0.44316537470287 0.17664234266588 0.48126656790796 10.811 > 27 28 B 0.94316537470287 0.17664234266588 0.48126656790796 10.811 > 27 29 B 0.05683462529713 0.67664234266588 0.01873343209204 10.811 > 29 30 B 0.55683462529713 0.67664234266588 0.01873343209204 10.811 > 29 31 B 0.05683462529713 0.82335765733412 0.51873343209204 10.811 > 31 32 B 0.55683462529713 0.82335765733412 0.51873343209204 10.811 > 31 33 B 0.44316537470287 0.32335765733412 0.98126656790796 10.811 > 33 34 B 0.94316537470287 0.32335765733412 0.98126656790796 10.811 > 33 35 B 0.13118311169818 0.48495265638558 0.51309350376709 10.811 > 35 36 B 0.63118311169818 0.48495265638558 0.51309350376709 10.811 > 35 37 B 0.36881688830182 0.51504734361442 0.48690649623291 10.811 > 37 38 B 0.86881688830182 0.51504734361442 0.48690649623291 10.811 > 37 39 B 0.13118311169818 0.01504734361442 0.01309350376709 10.811 > 39 40 B 0.63118311169818 0.01504734361442 0.01309350376709 10.811 > 39 41 B 0.19197531203148 0.16292416042969 0.47254896996153 10.811 > 41 42 B 0.69197531203148 0.16292416042969 0.47254896996153 10.811 > 41 43 B 0.30802468796852 0.66292416042969 0.02745103003847 10.811 > 43 44 B 0.80802468796852 0.66292416042969 0.02745103003847 10.811 > 43 45 B 0.30802468796852 0.83707583957031 0.52745103003847 10.811 > 45 46 B 0.80802468796852 0.83707583957031 0.52745103003847 10.811 > 45 47 B 0.19197531203148 0.33707583957031 0.97254896996153 10.811 > 47 48 B 0.69197531203148 0.33707583957031 0.97254896996153 10.811 > 47 49 O 0.15393216265543 0.10331392239348 0.08152752152715 15.999 > 49 50 O 0.65393216265543 0.10331392239348 0.08152752152715 15.999 > 49 51 O 0.42225883988317 0.50746738442636 0.64816836297854 15.999 > 51 52 O 0.92225883988317 0.50746738442636 0.64816836297854 15.999 > 51 53 O 0.42225883988317 0.99253261557364 0.14816836297854 15.999 > 53 54 O 0.92225883988317 0.99253261557364 0.14816836297854 15.999 > 53 55 O 0.07774116011683 0.49253261557364 0.35183163702146 15.999 > 55 56 O 0.57774116011683 0.49253261557364 0.35183163702146 15.999 > 55 57 O 0.15393216265543 0.39668607760652 0.58152752152715 15.999 > 57 58 O 0.65393216265543 0.39668607760652 0.58152752152715 15.999 > 57 59 O 0.07774116011683 0.00746738442636 0.85183163702146 15.999 > 59 60 O 0.57774116011683 0.00746738442636 0.85183163702146 15.999 > 59 61 O 0.34606783734457 0.89668607760652 0.91847247847285 15.999 > 61 62 O 0.84606783734457 0.89668607760652 0.91847247847285 15.999 > 61 63 O 0.34606783734457 0.60331392239348 0.41847247847285 15.999 > 63 64 O 0.84606783734457 0.60331392239348 0.41847247847285 15.999 > 63 65 O 0.24770907376626 0.16752591398875 0.63389134009665 15.999 > 65 66 O 0.74770907376626 0.16752591398875 0.63389134009665 15.999 > 65 67 O 0.25229092623374 0.66752591398875 0.86610865990335 15.999 > 67 68 O 0.75229092623374 0.66752591398875 0.86610865990335 15.999 > 67 69 O 0.25229092623374 0.83247408601125 0.36610865990335 15.999 > 69 70 O 0.75229092623374 0.83247408601125 0.36610865990335 15.999 > 69 71 O 0.24770907376626 0.33247408601125 0.13389134009665 15.999 > 71 72 O 0.74770907376626 0.33247408601125 0.13389134009665 15.999 > 71 73 O 0.16677528022604 0.07346837757861 0.40636940764891 15.999 > 73 74 O 0.66677528022604 0.07346837757861 0.40636940764891 15.999 > 73 75 O 0.33322471977396 0.57346837757861 0.09363059235109 15.999 > 75 76 O 0.83322471977396 0.57346837757861 0.09363059235109 15.999 > 75 77 O 0.33322471977396 0.92653162242139 0.59363059235110 15.999 > 77 78 O 0.83322471977396 0.92653162242139 0.59363059235110 15.999 > 77 79 O 0.16677528022604 0.42653162242139 0.90636940764890 15.999 > 79 80 O 0.66677528022604 0.42653162242139 0.90636940764890 15.999 > 79 81 O 0.15938129983110 0.24270423078404 0.37974357135913 15.999 > 81 82 O 0.65938129983110 0.24270423078404 0.37974357135913 15.999 > 81 83 O 0.34061870016890 0.74270423078404 0.12025642864087 15.999 > 83 84 O 0.84061870016890 0.74270423078404 0.12025642864087 15.999 > 83 85 O 0.34061870016890 0.75729576921596 0.62025642864087 15.999 > 85 86 O 0.84061870016890 0.75729576921596 0.62025642864087 15.999 > 85 87 O 0.15938129983110 0.25729576921596 0.87974357135913 15.999 > 87 88 O 0.65938129983110 0.25729576921596 0.87974357135913 15.999 > 87 89 O 0.47762334405802 0.09381969315411 0.56853772593405 15.999 > 89 90 O 0.97762334405802 0.09381969315411 0.56853772593405 15.999 > 89 91 O 0.02237665594198 0.59381969315411 0.93146227406595 15.999 > 91 92 O 0.52237665594198 0.59381969315411 0.93146227406595 15.999 > 91 93 O 0.02237665594198 0.90618030684589 0.43146227406595 15.999 > 93 94 O 0.52237665594198 0.90618030684589 0.43146227406595 15.999 > 93 95 O 0.47762334405802 0.40618030684589 0.06853772593405 15.999 > 95 96 O 0.97762334405802 0.40618030684589 0.06853772593405 15.999 > 95 97 O 0.45425720265871 0.26259714762100 0.55544437149672 15.999 > 97 98 O 0.95425720265871 0.26259714762100 0.55544437149672 15.999 > 97 99 O 0.04574279734129 0.76259714762100 0.94455562850328 15.999 > 99 100 O 0.54574279734129 0.76259714762100 0.94455562850328 15.999 > 99 101 O 0.04574279734129 0.73740285237900 0.44455562850328 15.999 > 101 102 O 0.54574279734129 0.73740285237900 0.44455562850328 15.999 > 101 103 O 0.33890847589936 0.43448666376489 0.39460519052477 15.999 > 103 104 O 0.83890847589936 0.43448666376489 0.39460519052477 15.999 > 103 105 O 0.39330854551886 0.16931397276145 0.31956774928076 15.999 > 105 106 O 0.89330854551886 0.16931397276145 0.31956774928076 15.999 > 105 107 O 0.10669145448114 0.66931397276145 0.18043225071924 15.999 > 107 108 O 0.60669145448114 0.66931397276145 0.18043225071924 15.999 > 107 109 O 0.10669145448114 0.83068602723855 0.68043225071924 15.999 > 109 110 O 0.60669145448114 0.83068602723855 0.68043225071924 15.999 > 109 111 O 0.39330854551886 0.33068602723855 0.81956774928076 15.999 > 111 112 O 0.89330854551886 0.33068602723855 0.81956774928076 15.999 > 111 113 O 0.33890847589936 0.06551333623511 0.89460519052477 15.999 > 113 114 O 0.83890847589936 0.06551333623511 0.89460519052477 15.999 > 113 115 O 0.16109152410064 0.56551333623511 0.60539480947523 15.999 > 115 116 O 0.66109152410064 0.56551333623511 0.60539480947523 15.999 > 115 117 O 0.16109152410064 0.93448666376489 0.10539480947523 15.999 > 117 118 O 0.66109152410064 0.93448666376489 0.10539480947523 15.999 > 117 119 O 0.45425720265871 0.23740285237900 0.05544437149672 15.999 > 119 120 O 0.95425720265871 0.23740285237900 0.05544437149672 15.999 > 119 121 Nd 0.17362445185305 0.49743195403930 0.15927969609308 144.242 > 121 122 Nd 0.67362445185305 0.49743195403930 0.15927969609308 144.242 > 121 123 Nd 0.32637554814695 0.99743195403930 0.34072030390692 144.242 > 123 124 Nd 0.82637554814695 0.99743195403930 0.34072030390692 144.242 > 123 125 Nd 0.32637554814695 0.50256804596070 0.84072030390692 144.242 > 125 126 Nd 0.82637554814695 0.50256804596070 0.84072030390692 144.242 > 125 127 Nd 0.17362445185305 0.00256804596070 0.65927969609308 144.242 > 127 128 Nd 0.67362445185305 0.00256804596070 0.65927969609308 144.242 > 127 129 Nd 0.47088232050750 0.33608431874550 0.30759398907689 144.242 > 129 130 Nd 0.97088232050750 0.33608431874550 0.30759398907689 144.242 > 129 131 Nd 0.02911767949250 0.83608431874550 0.19240601092311 144.242 > 131 132 Nd 0.52911767949250 0.83608431874550 0.19240601092311 144.242 > 131 133 Nd 0.02911767949250 0.66391568125450 0.69240601092312 144.242 > 133 134 Nd 0.52911767949250 0.66391568125450 0.69240601092312 144.242 > 133 135 Nd 0.47088232050750 0.16391568125450 0.80759398907688 144.242 > 135 136 Nd 0.97088232050750 0.16391568125450 0.80759398907688 144.242 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2808969 0.0000000 0.0002900 0.0000000 3.6143504 0.0000000 0.0002892 0.0000000 3.6530330 -------------------------- Born effective charges -------------------------- 1 Li 1.1214497 0.0148171 -0.0063501 -0.0588058 1.2315539 -0.0038039 -0.0417078 -0.0416893 0.9514471 2 Li 1.0752818 -0.0011129 0.0090307 -0.0350753 1.1266853 0.0295577 -0.0398505 0.0622840 1.2076368 3 Li 1.0752818 0.0011129 0.0090307 0.0350753 1.1266853 -0.0295577 -0.0398505 -0.0622840 1.2076368 4 Li 1.0752818 -0.0011129 0.0090307 -0.0350753 1.1266853 0.0295577 -0.0398505 0.0622840 1.2076368 5 Li 1.0752818 0.0011129 0.0090307 0.0350753 1.1266853 -0.0295577 -0.0398505 -0.0622840 1.2076368 6 Li 1.1214497 -0.0148171 -0.0063501 0.0588058 1.2315539 0.0038039 -0.0417078 0.0416893 0.9514471 7 Li 1.1214497 0.0148171 -0.0063501 -0.0588058 1.2315539 -0.0038039 -0.0417078 -0.0416893 0.9514471 8 Li 1.1214497 -0.0148171 -0.0063501 0.0588058 1.2315539 0.0038039 -0.0417078 0.0416893 0.9514471 9 Li 1.0270781 -0.0257037 -0.0034288 -0.0229627 1.0960401 0.0584996 0.0730476 0.0355503 1.1290376 10 Li 1.0270781 0.0257037 -0.0034288 0.0229627 1.0960401 -0.0584996 0.0730476 -0.0355503 1.1290376 11 Li 1.0270781 -0.0257037 -0.0034288 -0.0229627 1.0960401 0.0584996 0.0730476 0.0355503 1.1290376 12 Li 1.0270781 0.0257037 -0.0034288 0.0229627 1.0960401 -0.0584996 0.0730476 -0.0355503 1.1290376 13 B 0.7422564 0.0944133 -0.2569704 -0.0083740 2.4307959 -0.3121911 0.0421974 -0.2410225 2.8272777 14 B 0.7512997 -0.2554585 0.0541591 -0.1821357 2.4185632 -0.0511099 -0.0303126 -0.0650801 2.3488332 15 B 0.7512997 0.2554585 0.0541591 0.1821357 2.4185632 0.0511099 -0.0303126 0.0650801 2.3488332 16 B 0.7512997 -0.2554585 0.0541591 -0.1821357 2.4185632 -0.0511099 -0.0303126 -0.0650801 2.3488332 17 B 0.7512997 0.2554585 0.0541591 0.1821357 2.4185632 0.0511099 -0.0303126 0.0650801 2.3488332 18 B 0.7422564 -0.0944133 -0.2569704 0.0083740 2.4307959 0.3121911 0.0421974 0.2410225 2.8272777 19 B 0.7422564 -0.0944133 -0.2569704 0.0083740 2.4307959 0.3121911 0.0421974 0.2410225 2.8272777 20 B 0.7422564 0.0944133 -0.2569704 -0.0083740 2.4307959 -0.3121911 0.0421974 -0.2410225 2.8272777 21 B 0.7641865 -0.4400938 0.3593819 0.0162344 2.7983782 -0.3079349 0.0702359 -0.2350124 2.5788612 22 B 0.7641865 0.4400938 0.3593819 -0.0162344 2.7983782 0.3079349 0.0702359 0.2350124 2.5788612 23 B 0.7641865 -0.4400938 0.3593819 0.0162344 2.7983782 -0.3079349 0.0702359 -0.2350124 2.5788612 24 B 0.7641865 0.4400938 0.3593819 -0.0162344 2.7983782 0.3079349 0.0702359 0.2350124 2.5788612 25 O -1.2344947 0.0630055 -0.1121521 0.1265874 -2.1807836 -0.0881172 -0.2722757 -0.1602451 -2.0166558 26 O -1.5793403 -0.2282616 0.3311362 -0.2677593 -1.6597180 -0.0733977 0.3605217 -0.0161500 -2.6728644 27 O -1.5793403 0.2282616 0.3311362 0.2677593 -1.6597180 0.0733977 0.3605217 0.0161500 -2.6728644 28 O -1.5793403 -0.2282616 0.3311362 -0.2677593 -1.6597180 -0.0733977 0.3605217 -0.0161500 -2.6728644 29 O -1.2344947 -0.0630055 -0.1121521 -0.1265874 -2.1807836 0.0881172 -0.2722757 0.1602451 -2.0166558 30 O -1.5793403 0.2282616 0.3311362 0.2677593 -1.6597180 0.0733977 0.3605217 0.0161500 -2.6728644 31 O -1.2344947 0.0630055 -0.1121521 0.1265874 -2.1807836 -0.0881172 -0.2722757 -0.1602451 -2.0166558 32 O -1.2344947 -0.0630055 -0.1121521 -0.1265874 -2.1807836 0.0881172 -0.2722757 0.1602451 -2.0166558 33 O -1.5652282 -0.1126184 -0.3914226 -0.2481614 -1.7467819 -0.0000794 -0.4215114 0.0301109 -2.4410855 34 O -1.5652282 0.1126184 -0.3914226 0.2481614 -1.7467819 0.0000794 -0.4215114 -0.0301109 -2.4410855 35 O -1.5652282 -0.1126184 -0.3914226 -0.2481614 -1.7467819 -0.0000794 -0.4215114 0.0301109 -2.4410855 36 O -1.5652282 0.1126184 -0.3914226 0.2481614 -1.7467819 0.0000794 -0.4215114 -0.0301109 -2.4410855 37 O -1.6204978 0.3036926 0.2627979 0.2434577 -2.2573170 -0.2154616 0.4032667 -0.2541395 -1.7910234 38 O -1.6204978 -0.3036926 0.2627979 -0.2434577 -2.2573170 0.2154616 0.4032667 0.2541395 -1.7910234 39 O -1.6204978 0.3036926 0.2627979 0.2434577 -2.2573170 -0.2154616 0.4032667 -0.2541395 -1.7910234 40 O -1.6204978 -0.3036926 0.2627979 -0.2434577 -2.2573170 0.2154616 0.4032667 0.2541395 -1.7910234 41 O -1.6281054 0.4906554 -0.2992030 0.4436674 -2.3816001 0.7014461 -0.2512473 0.6419095 -1.7243945 42 O -1.6281054 -0.4906554 -0.2992030 -0.4436674 -2.3816001 -0.7014461 -0.2512473 -0.6419095 -1.7243945 43 O -1.6281054 0.4906554 -0.2992030 0.4436674 -2.3816001 0.7014461 -0.2512473 0.6419095 -1.7243945 44 O -1.6281054 -0.4906554 -0.2992030 -0.4436674 -2.3816001 -0.7014461 -0.2512473 -0.6419095 -1.7243945 45 O -1.6195222 0.3160542 -0.1613091 0.4111420 -2.2310331 0.1760793 -0.1733931 0.1058405 -2.1985890 46 O -1.6195222 -0.3160542 -0.1613091 -0.4111420 -2.2310331 -0.1760793 -0.1733931 -0.1058405 -2.1985890 47 O -1.6195222 0.3160542 -0.1613091 0.4111420 -2.2310331 0.1760793 -0.1733931 0.1058405 -2.1985890 48 O -1.6195222 -0.3160542 -0.1613091 -0.4111420 -2.2310331 -0.1760793 -0.1733931 -0.1058405 -2.1985890 49 O -1.2546288 -0.0315149 0.2514746 -0.0752450 -2.3072540 -0.0656608 0.3476776 -0.0424160 -2.0312686 50 O -1.2546288 0.0315149 0.2514746 0.0752450 -2.3072540 0.0656608 0.3476776 0.0424160 -2.0312686 51 O -1.2546288 -0.0315149 0.2514746 -0.0752450 -2.3072540 -0.0656608 0.3476776 -0.0424160 -2.0312686 52 O -1.5831458 0.3958494 -0.0052028 0.5018202 -2.2357552 -0.5020490 -0.0528179 -0.4678322 -2.1270515 53 O -1.3457828 -0.3255898 -0.0030260 -0.3595309 -2.1525809 0.0451344 0.0013039 -0.0159469 -2.2505415 54 O -1.3457828 0.3255898 -0.0030260 0.3595309 -2.1525809 -0.0451344 0.0013039 0.0159469 -2.2505415 55 O -1.3457828 -0.3255898 -0.0030260 -0.3595309 -2.1525809 0.0451344 0.0013039 -0.0159469 -2.2505415 56 O -1.3457828 0.3255898 -0.0030260 0.3595309 -2.1525809 -0.0451344 0.0013039 0.0159469 -2.2505415 57 O -1.5831458 -0.3958494 -0.0052028 -0.5018202 -2.2357552 0.5020490 -0.0528179 0.4678322 -2.1270515 58 O -1.5831458 0.3958494 -0.0052028 0.5018202 -2.2357552 -0.5020490 -0.0528179 -0.4678322 -2.1270515 59 O -1.5831458 -0.3958494 -0.0052028 -0.5018202 -2.2357552 0.5020490 -0.0528179 0.4678322 -2.1270515 60 O -1.2546288 0.0315149 0.2514746 0.0752450 -2.3072540 0.0656608 0.3476776 0.0424160 -2.0312686 61 Nd 4.0201593 -0.2074495 0.0223677 0.1283452 3.8804809 -0.0781920 -0.1453901 -0.1874294 4.0810502 62 Nd 4.0201593 0.2074495 0.0223677 -0.1283452 3.8804809 0.0781920 -0.1453901 0.1874294 4.0810502 63 Nd 4.0201593 -0.2074495 0.0223677 0.1283452 3.8804809 -0.0781920 -0.1453901 -0.1874294 4.0810502 64 Nd 4.0201593 0.2074495 0.0223677 -0.1283452 3.8804809 0.0781920 -0.1453901 0.1874294 4.0810502 65 Nd 3.9290346 0.1273472 -0.0512832 -0.2064898 4.1703264 -0.1839894 0.1302556 -0.1706082 4.1293305 66 Nd 3.9290346 -0.1273472 -0.0512832 0.2064898 4.1703264 0.1839894 0.1302556 0.1706082 4.1293305 67 Nd 3.9290346 0.1273472 -0.0512832 -0.2064898 4.1703264 -0.1839894 0.1302556 -0.1706082 4.1293305 68 Nd 3.9290346 -0.1273472 -0.0512832 0.2064898 4.1703264 0.1839894 0.1302556 0.1706082 4.1293305 ---------------------------------------------------------------------------- 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 27, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 97, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 103, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 105, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 121, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 129, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:23:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:23:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.712882960061184 0.000000000000000 0.000000000000000 b 0.000000000000000 14.099515709999999 0.000000000000000 c -3.620493388468682 0.000000000000000 8.550217416227810 Atomic positions (fractional): 1 Li 0.57669202777433 0.33469242173503 0.50560746120480 6.941 2 Li 0.04847482231897 0.11185363465087 0.20871923791897 6.941 3 Li 0.95152517768103 0.61185363465087 0.29128076208103 6.941 4 Li 0.95152517768103 0.88814636534913 0.79128076208103 6.941 5 Li 0.04847482231897 0.38814636534913 0.70871923791897 6.941 6 Li 0.57669202777433 0.16530757826497 0.00560746120480 6.941 7 Li 0.42330797222567 0.66530757826497 0.49439253879520 6.941 8 Li 0.42330797222567 0.83469242173503 0.99439253879520 6.941 9 Li 0.41460154665126 0.28437243901402 0.70873843256841 6.941 10 Li 0.58539845334874 0.78437243901402 0.79126156743159 6.941 11 Li 0.58539845334874 0.71562756098598 0.29126156743159 6.941 12 Li 0.41460154665126 0.21562756098598 0.20873843256841 6.941 13 B 0.73763377660364 0.98495265638558 0.98690649623291 10.811 14 B 0.88633074940574 0.17664234266588 0.48126656790796 10.811 15 B 0.11366925059426 0.67664234266588 0.01873343209204 10.811 16 B 0.11366925059426 0.82335765733412 0.51873343209204 10.811 17 B 0.88633074940574 0.32335765733412 0.98126656790796 10.811 18 B 0.26236622339636 0.48495265638558 0.51309350376709 10.811 19 B 0.73763377660364 0.51504734361442 0.48690649623291 10.811 20 B 0.26236622339636 0.01504734361442 0.01309350376709 10.811 21 B 0.38395062406297 0.16292416042969 0.47254896996153 10.811 22 B 0.61604937593703 0.66292416042969 0.02745103003847 10.811 23 B 0.61604937593703 0.83707583957031 0.52745103003847 10.811 24 B 0.38395062406297 0.33707583957031 0.97254896996153 10.811 25 O 0.30786432531086 0.10331392239348 0.08152752152715 15.999 26 O 0.84451767976634 0.50746738442636 0.64816836297854 15.999 27 O 0.84451767976634 0.99253261557364 0.14816836297854 15.999 28 O 0.15548232023366 0.49253261557364 0.35183163702146 15.999 29 O 0.30786432531086 0.39668607760652 0.58152752152715 15.999 30 O 0.15548232023366 0.00746738442636 0.85183163702146 15.999 31 O 0.69213567468913 0.89668607760652 0.91847247847285 15.999 32 O 0.69213567468913 0.60331392239348 0.41847247847285 15.999 33 O 0.49541814753252 0.16752591398875 0.63389134009665 15.999 34 O 0.50458185246748 0.66752591398875 0.86610865990335 15.999 35 O 0.50458185246748 0.83247408601125 0.36610865990335 15.999 36 O 0.49541814753252 0.33247408601125 0.13389134009665 15.999 37 O 0.33355056045207 0.07346837757861 0.40636940764891 15.999 38 O 0.66644943954793 0.57346837757861 0.09363059235109 15.999 39 O 0.66644943954793 0.92653162242139 0.59363059235110 15.999 40 O 0.33355056045207 0.42653162242139 0.90636940764890 15.999 41 O 0.31876259966219 0.24270423078404 0.37974357135913 15.999 42 O 0.68123740033781 0.74270423078404 0.12025642864087 15.999 43 O 0.68123740033781 0.75729576921596 0.62025642864087 15.999 44 O 0.31876259966219 0.25729576921596 0.87974357135913 15.999 45 O 0.95524668811604 0.09381969315411 0.56853772593405 15.999 46 O 0.04475331188396 0.59381969315411 0.93146227406595 15.999 47 O 0.04475331188396 0.90618030684589 0.43146227406595 15.999 48 O 0.95524668811604 0.40618030684589 0.06853772593405 15.999 49 O 0.90851440531741 0.26259714762100 0.55544437149672 15.999 50 O 0.09148559468259 0.76259714762100 0.94455562850328 15.999 51 O 0.09148559468259 0.73740285237900 0.44455562850328 15.999 52 O 0.67781695179872 0.43448666376489 0.39460519052477 15.999 53 O 0.78661709103772 0.16931397276145 0.31956774928076 15.999 54 O 0.21338290896228 0.66931397276145 0.18043225071924 15.999 55 O 0.21338290896228 0.83068602723855 0.68043225071924 15.999 56 O 0.78661709103772 0.33068602723855 0.81956774928076 15.999 57 O 0.67781695179872 0.06551333623511 0.89460519052477 15.999 58 O 0.32218304820128 0.56551333623511 0.60539480947523 15.999 59 O 0.32218304820128 0.93448666376489 0.10539480947523 15.999 60 O 0.90851440531741 0.23740285237900 0.05544437149672 15.999 61 Nd 0.34724890370610 0.49743195403930 0.15927969609308 144.242 62 Nd 0.65275109629390 0.99743195403930 0.34072030390692 144.242 63 Nd 0.65275109629390 0.50256804596070 0.84072030390692 144.242 64 Nd 0.34724890370610 0.00256804596070 0.65927969609308 144.242 65 Nd 0.94176464101500 0.33608431874550 0.30759398907689 144.242 66 Nd 0.05823535898500 0.83608431874550 0.19240601092311 144.242 67 Nd 0.05823535898500 0.66391568125450 0.69240601092312 144.242 68 Nd 0.94176464101500 0.16391568125450 0.80759398907688 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.425765920122368 0.000000000000000 0.000000000000000 b 0.000000000000000 14.099515709999999 0.000000000000000 c -3.620493388468682 0.000000000000000 8.550217416227810 Atomic positions (fractional): 1 Li 0.28834601388717 0.33469242173503 0.50560746120480 6.941 > 1 2 Li 0.78834601388717 0.33469242173503 0.50560746120480 6.941 > 1 3 Li 0.02423741115949 0.11185363465087 0.20871923791897 6.941 > 3 4 Li 0.52423741115949 0.11185363465087 0.20871923791897 6.941 > 3 5 Li 0.47576258884051 0.61185363465087 0.29128076208103 6.941 > 5 6 Li 0.97576258884051 0.61185363465087 0.29128076208103 6.941 > 5 7 Li 0.47576258884051 0.88814636534913 0.79128076208103 6.941 > 7 8 Li 0.97576258884051 0.88814636534913 0.79128076208103 6.941 > 7 9 Li 0.02423741115949 0.38814636534913 0.70871923791897 6.941 > 9 10 Li 0.52423741115949 0.38814636534913 0.70871923791897 6.941 > 9 11 Li 0.28834601388717 0.16530757826497 0.00560746120480 6.941 > 11 12 Li 0.78834601388717 0.16530757826497 0.00560746120480 6.941 > 11 13 Li 0.21165398611283 0.66530757826497 0.49439253879520 6.941 > 13 14 Li 0.71165398611283 0.66530757826497 0.49439253879520 6.941 > 13 15 Li 0.21165398611283 0.83469242173503 0.99439253879520 6.941 > 15 16 Li 0.71165398611283 0.83469242173503 0.99439253879520 6.941 > 15 17 Li 0.20730077332563 0.28437243901402 0.70873843256841 6.941 > 17 18 Li 0.70730077332563 0.28437243901402 0.70873843256841 6.941 > 17 19 Li 0.29269922667437 0.78437243901402 0.79126156743159 6.941 > 19 20 Li 0.79269922667437 0.78437243901402 0.79126156743159 6.941 > 19 21 Li 0.29269922667437 0.71562756098598 0.29126156743159 6.941 > 21 22 Li 0.79269922667437 0.71562756098598 0.29126156743159 6.941 > 21 23 Li 0.20730077332563 0.21562756098598 0.20873843256841 6.941 > 23 24 Li 0.70730077332563 0.21562756098598 0.20873843256841 6.941 > 23 25 B 0.36881688830182 0.98495265638558 0.98690649623291 10.811 > 25 26 B 0.86881688830182 0.98495265638558 0.98690649623291 10.811 > 25 27 B 0.44316537470287 0.17664234266588 0.48126656790796 10.811 > 27 28 B 0.94316537470287 0.17664234266588 0.48126656790796 10.811 > 27 29 B 0.05683462529713 0.67664234266588 0.01873343209204 10.811 > 29 30 B 0.55683462529713 0.67664234266588 0.01873343209204 10.811 > 29 31 B 0.05683462529713 0.82335765733412 0.51873343209204 10.811 > 31 32 B 0.55683462529713 0.82335765733412 0.51873343209204 10.811 > 31 33 B 0.44316537470287 0.32335765733412 0.98126656790796 10.811 > 33 34 B 0.94316537470287 0.32335765733412 0.98126656790796 10.811 > 33 35 B 0.13118311169818 0.48495265638558 0.51309350376709 10.811 > 35 36 B 0.63118311169818 0.48495265638558 0.51309350376709 10.811 > 35 37 B 0.36881688830182 0.51504734361442 0.48690649623291 10.811 > 37 38 B 0.86881688830182 0.51504734361442 0.48690649623291 10.811 > 37 39 B 0.13118311169818 0.01504734361442 0.01309350376709 10.811 > 39 40 B 0.63118311169818 0.01504734361442 0.01309350376709 10.811 > 39 41 B 0.19197531203148 0.16292416042969 0.47254896996153 10.811 > 41 42 B 0.69197531203148 0.16292416042969 0.47254896996153 10.811 > 41 43 B 0.30802468796852 0.66292416042969 0.02745103003847 10.811 > 43 44 B 0.80802468796852 0.66292416042969 0.02745103003847 10.811 > 43 45 B 0.30802468796852 0.83707583957031 0.52745103003847 10.811 > 45 46 B 0.80802468796852 0.83707583957031 0.52745103003847 10.811 > 45 47 B 0.19197531203148 0.33707583957031 0.97254896996153 10.811 > 47 48 B 0.69197531203148 0.33707583957031 0.97254896996153 10.811 > 47 49 O 0.15393216265543 0.10331392239348 0.08152752152715 15.999 > 49 50 O 0.65393216265543 0.10331392239348 0.08152752152715 15.999 > 49 51 O 0.42225883988317 0.50746738442636 0.64816836297854 15.999 > 51 52 O 0.92225883988317 0.50746738442636 0.64816836297854 15.999 > 51 53 O 0.42225883988317 0.99253261557364 0.14816836297854 15.999 > 53 54 O 0.92225883988317 0.99253261557364 0.14816836297854 15.999 > 53 55 O 0.07774116011683 0.49253261557364 0.35183163702146 15.999 > 55 56 O 0.57774116011683 0.49253261557364 0.35183163702146 15.999 > 55 57 O 0.15393216265543 0.39668607760652 0.58152752152715 15.999 > 57 58 O 0.65393216265543 0.39668607760652 0.58152752152715 15.999 > 57 59 O 0.07774116011683 0.00746738442636 0.85183163702146 15.999 > 59 60 O 0.57774116011683 0.00746738442636 0.85183163702146 15.999 > 59 61 O 0.34606783734457 0.89668607760652 0.91847247847285 15.999 > 61 62 O 0.84606783734457 0.89668607760652 0.91847247847285 15.999 > 61 63 O 0.34606783734457 0.60331392239348 0.41847247847285 15.999 > 63 64 O 0.84606783734457 0.60331392239348 0.41847247847285 15.999 > 63 65 O 0.24770907376626 0.16752591398875 0.63389134009665 15.999 > 65 66 O 0.74770907376626 0.16752591398875 0.63389134009665 15.999 > 65 67 O 0.25229092623374 0.66752591398875 0.86610865990335 15.999 > 67 68 O 0.75229092623374 0.66752591398875 0.86610865990335 15.999 > 67 69 O 0.25229092623374 0.83247408601125 0.36610865990335 15.999 > 69 70 O 0.75229092623374 0.83247408601125 0.36610865990335 15.999 > 69 71 O 0.24770907376626 0.33247408601125 0.13389134009665 15.999 > 71 72 O 0.74770907376626 0.33247408601125 0.13389134009665 15.999 > 71 73 O 0.16677528022604 0.07346837757861 0.40636940764891 15.999 > 73 74 O 0.66677528022604 0.07346837757861 0.40636940764891 15.999 > 73 75 O 0.33322471977396 0.57346837757861 0.09363059235109 15.999 > 75 76 O 0.83322471977396 0.57346837757861 0.09363059235109 15.999 > 75 77 O 0.33322471977396 0.92653162242139 0.59363059235110 15.999 > 77 78 O 0.83322471977396 0.92653162242139 0.59363059235110 15.999 > 77 79 O 0.16677528022604 0.42653162242139 0.90636940764890 15.999 > 79 80 O 0.66677528022604 0.42653162242139 0.90636940764890 15.999 > 79 81 O 0.15938129983110 0.24270423078404 0.37974357135913 15.999 > 81 82 O 0.65938129983110 0.24270423078404 0.37974357135913 15.999 > 81 83 O 0.34061870016890 0.74270423078404 0.12025642864087 15.999 > 83 84 O 0.84061870016890 0.74270423078404 0.12025642864087 15.999 > 83 85 O 0.34061870016890 0.75729576921596 0.62025642864087 15.999 > 85 86 O 0.84061870016890 0.75729576921596 0.62025642864087 15.999 > 85 87 O 0.15938129983110 0.25729576921596 0.87974357135913 15.999 > 87 88 O 0.65938129983110 0.25729576921596 0.87974357135913 15.999 > 87 89 O 0.47762334405802 0.09381969315411 0.56853772593405 15.999 > 89 90 O 0.97762334405802 0.09381969315411 0.56853772593405 15.999 > 89 91 O 0.02237665594198 0.59381969315411 0.93146227406595 15.999 > 91 92 O 0.52237665594198 0.59381969315411 0.93146227406595 15.999 > 91 93 O 0.02237665594198 0.90618030684589 0.43146227406595 15.999 > 93 94 O 0.52237665594198 0.90618030684589 0.43146227406595 15.999 > 93 95 O 0.47762334405802 0.40618030684589 0.06853772593405 15.999 > 95 96 O 0.97762334405802 0.40618030684589 0.06853772593405 15.999 > 95 97 O 0.45425720265871 0.26259714762100 0.55544437149672 15.999 > 97 98 O 0.95425720265871 0.26259714762100 0.55544437149672 15.999 > 97 99 O 0.04574279734129 0.76259714762100 0.94455562850328 15.999 > 99 100 O 0.54574279734129 0.76259714762100 0.94455562850328 15.999 > 99 101 O 0.04574279734129 0.73740285237900 0.44455562850328 15.999 > 101 102 O 0.54574279734129 0.73740285237900 0.44455562850328 15.999 > 101 103 O 0.33890847589936 0.43448666376489 0.39460519052477 15.999 > 103 104 O 0.83890847589936 0.43448666376489 0.39460519052477 15.999 > 103 105 O 0.39330854551886 0.16931397276145 0.31956774928076 15.999 > 105 106 O 0.89330854551886 0.16931397276145 0.31956774928076 15.999 > 105 107 O 0.10669145448114 0.66931397276145 0.18043225071924 15.999 > 107 108 O 0.60669145448114 0.66931397276145 0.18043225071924 15.999 > 107 109 O 0.10669145448114 0.83068602723855 0.68043225071924 15.999 > 109 110 O 0.60669145448114 0.83068602723855 0.68043225071924 15.999 > 109 111 O 0.39330854551886 0.33068602723855 0.81956774928076 15.999 > 111 112 O 0.89330854551886 0.33068602723855 0.81956774928076 15.999 > 111 113 O 0.33890847589936 0.06551333623511 0.89460519052477 15.999 > 113 114 O 0.83890847589936 0.06551333623511 0.89460519052477 15.999 > 113 115 O 0.16109152410064 0.56551333623511 0.60539480947523 15.999 > 115 116 O 0.66109152410064 0.56551333623511 0.60539480947523 15.999 > 115 117 O 0.16109152410064 0.93448666376489 0.10539480947523 15.999 > 117 118 O 0.66109152410064 0.93448666376489 0.10539480947523 15.999 > 117 119 O 0.45425720265871 0.23740285237900 0.05544437149672 15.999 > 119 120 O 0.95425720265871 0.23740285237900 0.05544437149672 15.999 > 119 121 Nd 0.17362445185305 0.49743195403930 0.15927969609308 144.242 > 121 122 Nd 0.67362445185305 0.49743195403930 0.15927969609308 144.242 > 121 123 Nd 0.32637554814695 0.99743195403930 0.34072030390692 144.242 > 123 124 Nd 0.82637554814695 0.99743195403930 0.34072030390692 144.242 > 123 125 Nd 0.32637554814695 0.50256804596070 0.84072030390692 144.242 > 125 126 Nd 0.82637554814695 0.50256804596070 0.84072030390692 144.242 > 125 127 Nd 0.17362445185305 0.00256804596070 0.65927969609308 144.242 > 127 128 Nd 0.67362445185305 0.00256804596070 0.65927969609308 144.242 > 127 129 Nd 0.47088232050750 0.33608431874550 0.30759398907689 144.242 > 129 130 Nd 0.97088232050750 0.33608431874550 0.30759398907689 144.242 > 129 131 Nd 0.02911767949250 0.83608431874550 0.19240601092311 144.242 > 131 132 Nd 0.52911767949250 0.83608431874550 0.19240601092311 144.242 > 131 133 Nd 0.02911767949250 0.66391568125450 0.69240601092312 144.242 > 133 134 Nd 0.52911767949250 0.66391568125450 0.69240601092312 144.242 > 133 135 Nd 0.47088232050750 0.16391568125450 0.80759398907688 144.242 > 135 136 Nd 0.97088232050750 0.16391568125450 0.80759398907688 144.242 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2808969 0.0000000 0.0002900 0.0000000 3.6143504 0.0000000 0.0002892 0.0000000 3.6530330 -------------------------- Born effective charges -------------------------- 1 Li 1.1214497 0.0148171 -0.0063501 -0.0588058 1.2315539 -0.0038039 -0.0417078 -0.0416893 0.9514471 2 Li 1.0752818 -0.0011129 0.0090307 -0.0350753 1.1266853 0.0295577 -0.0398505 0.0622840 1.2076368 3 Li 1.0752818 0.0011129 0.0090307 0.0350753 1.1266853 -0.0295577 -0.0398505 -0.0622840 1.2076368 4 Li 1.0752818 -0.0011129 0.0090307 -0.0350753 1.1266853 0.0295577 -0.0398505 0.0622840 1.2076368 5 Li 1.0752818 0.0011129 0.0090307 0.0350753 1.1266853 -0.0295577 -0.0398505 -0.0622840 1.2076368 6 Li 1.1214497 -0.0148171 -0.0063501 0.0588058 1.2315539 0.0038039 -0.0417078 0.0416893 0.9514471 7 Li 1.1214497 0.0148171 -0.0063501 -0.0588058 1.2315539 -0.0038039 -0.0417078 -0.0416893 0.9514471 8 Li 1.1214497 -0.0148171 -0.0063501 0.0588058 1.2315539 0.0038039 -0.0417078 0.0416893 0.9514471 9 Li 1.0270781 -0.0257037 -0.0034288 -0.0229627 1.0960401 0.0584996 0.0730476 0.0355503 1.1290376 10 Li 1.0270781 0.0257037 -0.0034288 0.0229627 1.0960401 -0.0584996 0.0730476 -0.0355503 1.1290376 11 Li 1.0270781 -0.0257037 -0.0034288 -0.0229627 1.0960401 0.0584996 0.0730476 0.0355503 1.1290376 12 Li 1.0270781 0.0257037 -0.0034288 0.0229627 1.0960401 -0.0584996 0.0730476 -0.0355503 1.1290376 13 B 0.7422564 0.0944133 -0.2569704 -0.0083740 2.4307959 -0.3121911 0.0421974 -0.2410225 2.8272777 14 B 0.7512997 -0.2554585 0.0541591 -0.1821357 2.4185632 -0.0511099 -0.0303126 -0.0650801 2.3488332 15 B 0.7512997 0.2554585 0.0541591 0.1821357 2.4185632 0.0511099 -0.0303126 0.0650801 2.3488332 16 B 0.7512997 -0.2554585 0.0541591 -0.1821357 2.4185632 -0.0511099 -0.0303126 -0.0650801 2.3488332 17 B 0.7512997 0.2554585 0.0541591 0.1821357 2.4185632 0.0511099 -0.0303126 0.0650801 2.3488332 18 B 0.7422564 -0.0944133 -0.2569704 0.0083740 2.4307959 0.3121911 0.0421974 0.2410225 2.8272777 19 B 0.7422564 -0.0944133 -0.2569704 0.0083740 2.4307959 0.3121911 0.0421974 0.2410225 2.8272777 20 B 0.7422564 0.0944133 -0.2569704 -0.0083740 2.4307959 -0.3121911 0.0421974 -0.2410225 2.8272777 21 B 0.7641865 -0.4400938 0.3593819 0.0162344 2.7983782 -0.3079349 0.0702359 -0.2350124 2.5788612 22 B 0.7641865 0.4400938 0.3593819 -0.0162344 2.7983782 0.3079349 0.0702359 0.2350124 2.5788612 23 B 0.7641865 -0.4400938 0.3593819 0.0162344 2.7983782 -0.3079349 0.0702359 -0.2350124 2.5788612 24 B 0.7641865 0.4400938 0.3593819 -0.0162344 2.7983782 0.3079349 0.0702359 0.2350124 2.5788612 25 O -1.2344947 0.0630055 -0.1121521 0.1265874 -2.1807836 -0.0881172 -0.2722757 -0.1602451 -2.0166558 26 O -1.5793403 -0.2282616 0.3311362 -0.2677593 -1.6597180 -0.0733977 0.3605217 -0.0161500 -2.6728644 27 O -1.5793403 0.2282616 0.3311362 0.2677593 -1.6597180 0.0733977 0.3605217 0.0161500 -2.6728644 28 O -1.5793403 -0.2282616 0.3311362 -0.2677593 -1.6597180 -0.0733977 0.3605217 -0.0161500 -2.6728644 29 O -1.2344947 -0.0630055 -0.1121521 -0.1265874 -2.1807836 0.0881172 -0.2722757 0.1602451 -2.0166558 30 O -1.5793403 0.2282616 0.3311362 0.2677593 -1.6597180 0.0733977 0.3605217 0.0161500 -2.6728644 31 O -1.2344947 0.0630055 -0.1121521 0.1265874 -2.1807836 -0.0881172 -0.2722757 -0.1602451 -2.0166558 32 O -1.2344947 -0.0630055 -0.1121521 -0.1265874 -2.1807836 0.0881172 -0.2722757 0.1602451 -2.0166558 33 O -1.5652282 -0.1126184 -0.3914226 -0.2481614 -1.7467819 -0.0000794 -0.4215114 0.0301109 -2.4410855 34 O -1.5652282 0.1126184 -0.3914226 0.2481614 -1.7467819 0.0000794 -0.4215114 -0.0301109 -2.4410855 35 O -1.5652282 -0.1126184 -0.3914226 -0.2481614 -1.7467819 -0.0000794 -0.4215114 0.0301109 -2.4410855 36 O -1.5652282 0.1126184 -0.3914226 0.2481614 -1.7467819 0.0000794 -0.4215114 -0.0301109 -2.4410855 37 O -1.6204978 0.3036926 0.2627979 0.2434577 -2.2573170 -0.2154616 0.4032667 -0.2541395 -1.7910234 38 O -1.6204978 -0.3036926 0.2627979 -0.2434577 -2.2573170 0.2154616 0.4032667 0.2541395 -1.7910234 39 O -1.6204978 0.3036926 0.2627979 0.2434577 -2.2573170 -0.2154616 0.4032667 -0.2541395 -1.7910234 40 O -1.6204978 -0.3036926 0.2627979 -0.2434577 -2.2573170 0.2154616 0.4032667 0.2541395 -1.7910234 41 O -1.6281054 0.4906554 -0.2992030 0.4436674 -2.3816001 0.7014461 -0.2512473 0.6419095 -1.7243945 42 O -1.6281054 -0.4906554 -0.2992030 -0.4436674 -2.3816001 -0.7014461 -0.2512473 -0.6419095 -1.7243945 43 O -1.6281054 0.4906554 -0.2992030 0.4436674 -2.3816001 0.7014461 -0.2512473 0.6419095 -1.7243945 44 O -1.6281054 -0.4906554 -0.2992030 -0.4436674 -2.3816001 -0.7014461 -0.2512473 -0.6419095 -1.7243945 45 O -1.6195222 0.3160542 -0.1613091 0.4111420 -2.2310331 0.1760793 -0.1733931 0.1058405 -2.1985890 46 O -1.6195222 -0.3160542 -0.1613091 -0.4111420 -2.2310331 -0.1760793 -0.1733931 -0.1058405 -2.1985890 47 O -1.6195222 0.3160542 -0.1613091 0.4111420 -2.2310331 0.1760793 -0.1733931 0.1058405 -2.1985890 48 O -1.6195222 -0.3160542 -0.1613091 -0.4111420 -2.2310331 -0.1760793 -0.1733931 -0.1058405 -2.1985890 49 O -1.2546288 -0.0315149 0.2514746 -0.0752450 -2.3072540 -0.0656608 0.3476776 -0.0424160 -2.0312686 50 O -1.2546288 0.0315149 0.2514746 0.0752450 -2.3072540 0.0656608 0.3476776 0.0424160 -2.0312686 51 O -1.2546288 -0.0315149 0.2514746 -0.0752450 -2.3072540 -0.0656608 0.3476776 -0.0424160 -2.0312686 52 O -1.5831458 0.3958494 -0.0052028 0.5018202 -2.2357552 -0.5020490 -0.0528179 -0.4678322 -2.1270515 53 O -1.3457828 -0.3255898 -0.0030260 -0.3595309 -2.1525809 0.0451344 0.0013039 -0.0159469 -2.2505415 54 O -1.3457828 0.3255898 -0.0030260 0.3595309 -2.1525809 -0.0451344 0.0013039 0.0159469 -2.2505415 55 O -1.3457828 -0.3255898 -0.0030260 -0.3595309 -2.1525809 0.0451344 0.0013039 -0.0159469 -2.2505415 56 O -1.3457828 0.3255898 -0.0030260 0.3595309 -2.1525809 -0.0451344 0.0013039 0.0159469 -2.2505415 57 O -1.5831458 -0.3958494 -0.0052028 -0.5018202 -2.2357552 0.5020490 -0.0528179 0.4678322 -2.1270515 58 O -1.5831458 0.3958494 -0.0052028 0.5018202 -2.2357552 -0.5020490 -0.0528179 -0.4678322 -2.1270515 59 O -1.5831458 -0.3958494 -0.0052028 -0.5018202 -2.2357552 0.5020490 -0.0528179 0.4678322 -2.1270515 60 O -1.2546288 0.0315149 0.2514746 0.0752450 -2.3072540 0.0656608 0.3476776 0.0424160 -2.0312686 61 Nd 4.0201593 -0.2074495 0.0223677 0.1283452 3.8804809 -0.0781920 -0.1453901 -0.1874294 4.0810502 62 Nd 4.0201593 0.2074495 0.0223677 -0.1283452 3.8804809 0.0781920 -0.1453901 0.1874294 4.0810502 63 Nd 4.0201593 -0.2074495 0.0223677 0.1283452 3.8804809 -0.0781920 -0.1453901 -0.1874294 4.0810502 64 Nd 4.0201593 0.2074495 0.0223677 -0.1283452 3.8804809 0.0781920 -0.1453901 0.1874294 4.0810502 65 Nd 3.9290346 0.1273472 -0.0512832 -0.2064898 4.1703264 -0.1839894 0.1302556 -0.1706082 4.1293305 66 Nd 3.9290346 -0.1273472 -0.0512832 0.2064898 4.1703264 0.1839894 0.1302556 0.1706082 4.1293305 67 Nd 3.9290346 0.1273472 -0.0512832 -0.2064898 4.1703264 -0.1839894 0.1302556 -0.1706082 4.1293305 68 Nd 3.9290346 -0.1273472 -0.0512832 0.2064898 4.1703264 0.1839894 0.1302556 0.1706082 4.1293305 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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: 0.47, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.660 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.840 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.558 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.251 ( 0.000 0.000 0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.636 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 5.822 ( 0.000 0.000 0.000) 0.000 5.882 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.241 ( 0.000 0.000 0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.309 ( 0.000 0.000 0.000) 0.000 6.323 ( 0.000 0.000 0.000) 0.000 6.420 ( 0.000 0.000 0.000) 0.000 6.640 ( 0.000 0.000 0.000) 0.000 6.785 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 7.007 ( 0.000 0.000 0.000) 0.000 7.022 ( 0.000 0.000 0.000) 0.000 7.113 ( 0.000 0.000 0.000) 0.000 7.291 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.390 ( 0.000 0.000 0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 7.474 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.581 ( 0.000 0.000 0.000) 0.000 7.618 ( 0.000 0.000 0.000) 0.000 7.702 ( 0.000 0.000 0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 7.812 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.022 ( 0.000 0.000 0.000) 0.000 8.136 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.285 ( 0.000 0.000 0.000) 0.000 8.355 ( 0.000 0.000 0.000) 0.000 8.506 ( 0.000 0.000 0.000) 0.000 8.565 ( 0.000 0.000 0.000) 0.000 8.652 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.770 ( 0.000 0.000 0.000) 0.000 8.797 ( 0.000 0.000 0.000) 0.000 8.975 ( 0.000 0.000 0.000) 0.000 8.985 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 9.234 ( 0.000 0.000 0.000) 0.000 9.242 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 9.418 ( 0.000 0.000 0.000) 0.000 9.495 ( 0.000 0.000 0.000) 0.000 9.671 ( 0.000 0.000 0.000) 0.000 9.703 ( 0.000 0.000 0.000) 0.000 9.731 ( 0.000 0.000 0.000) 0.000 9.793 ( 0.000 0.000 0.000) 0.000 9.919 ( 0.000 0.000 0.000) 0.000 9.978 ( 0.000 0.000 0.000) 0.000 9.988 ( 0.000 0.000 0.000) 0.000 10.005 ( 0.000 0.000 0.000) 0.000 10.060 ( 0.000 0.000 0.000) 0.000 10.317 ( 0.000 0.000 0.000) 0.000 10.409 ( 0.000 0.000 0.000) 0.000 10.506 ( 0.000 0.000 0.000) 0.000 10.752 ( 0.000 0.000 0.000) 0.000 10.929 ( 0.000 0.000 0.000) 0.000 11.215 ( 0.000 0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 11.239 ( 0.000 0.000 0.000) 0.000 11.418 ( 0.000 0.000 0.000) 0.000 11.468 ( 0.000 0.000 0.000) 0.000 11.480 ( 0.000 0.000 0.000) 0.000 11.797 ( 0.000 0.000 0.000) 0.000 12.047 ( 0.000 0.000 0.000) 0.000 12.095 ( 0.000 0.000 0.000) 0.000 12.164 ( 0.000 0.000 0.000) 0.000 12.533 ( 0.000 0.000 0.000) 0.000 12.543 ( 0.000 0.000 0.000) 0.000 12.816 ( 0.000 0.000 0.000) 0.000 13.753 ( 0.000 0.000 0.000) 0.000 14.398 ( 0.000 0.000 0.000) 0.000 14.473 ( 0.000 0.000 0.000) 0.000 14.614 ( 0.000 0.000 0.000) 0.000 14.637 ( 0.000 0.000 0.000) 0.000 14.637 ( 0.000 0.000 0.000) 0.000 14.900 ( 0.000 0.000 0.000) 0.000 15.011 ( 0.000 0.000 0.000) 0.000 16.201 ( 0.000 0.000 0.000) 0.000 16.311 ( 0.000 0.000 0.000) 0.000 16.675 ( 0.000 0.000 0.000) 0.000 16.748 ( 0.000 0.000 0.000) 0.000 16.999 ( 0.000 0.000 0.000) 0.000 17.049 ( 0.000 0.000 0.000) 0.000 17.228 ( 0.000 0.000 0.000) 0.000 17.312 ( 0.000 0.000 0.000) 0.000 17.326 ( 0.000 0.000 0.000) 0.000 17.365 ( 0.000 0.000 0.000) 0.000 17.475 ( 0.000 0.000 0.000) 0.000 17.502 ( 0.000 0.000 0.000) 0.000 17.627 ( 0.000 0.000 0.000) 0.000 17.744 ( 0.000 0.000 0.000) 0.000 17.754 ( 0.000 0.000 0.000) 0.000 17.830 ( 0.000 0.000 0.000) 0.000 17.910 ( 0.000 0.000 0.000) 0.000 17.975 ( 0.000 0.000 0.000) 0.000 18.023 ( 0.000 0.000 0.000) 0.000 18.026 ( 0.000 0.000 0.000) 0.000 18.068 ( 0.000 0.000 0.000) 0.000 18.237 ( 0.000 0.000 0.000) 0.000 18.268 ( 0.000 0.000 0.000) 0.000 18.462 ( 0.000 0.000 0.000) 0.000 18.525 ( 0.000 0.000 0.000) 0.000 18.620 ( 0.000 0.000 0.000) 0.000 18.744 ( 0.000 0.000 0.000) 0.000 18.832 ( 0.000 0.000 0.000) 0.000 20.065 ( 0.000 0.000 0.000) 0.000 20.074 ( 0.000 0.000 0.000) 0.000 20.087 ( 0.000 0.000 0.000) 0.000 20.088 ( 0.000 0.000 0.000) 0.000 20.089 ( 0.000 0.000 0.000) 0.000 20.096 ( 0.000 0.000 0.000) 0.000 22.121 ( 0.000 0.000 0.000) 0.000 22.154 ( 0.000 0.000 0.000) 0.000 22.160 ( 0.000 0.000 0.000) 0.000 22.167 ( 0.000 0.000 0.000) 0.000 22.184 ( 0.000 0.000 0.000) 0.000 22.186 ( 0.000 0.000 0.000) 0.000 26.981 ( 0.000 0.000 0.000) 0.000 27.012 ( 0.000 0.000 0.000) 0.000 27.109 ( 0.000 0.000 0.000) 0.000 27.117 ( 0.000 0.000 0.000) 0.000 27.528 ( 0.000 0.000 0.000) 0.000 27.611 ( 0.000 0.000 0.000) 0.000 27.643 ( 0.000 0.000 0.000) 0.000 27.651 ( 0.000 0.000 0.000) 0.000 27.807 ( 0.000 0.000 0.000) 0.000 27.896 ( 0.000 0.000 0.000) 0.000 28.030 ( 0.000 0.000 0.000) 0.000 28.055 ( 0.000 0.000 0.000) 0.000 36.612 ( 0.000 0.000 0.000) 0.000 36.911 ( 0.000 0.000 0.000) 0.000 36.927 ( 0.000 0.000 0.000) 0.000 36.954 ( 0.000 0.000 0.000) 0.000 37.027 ( 0.000 0.000 0.000) 0.000 37.049 ( 0.000 0.000 0.000) 0.000 37.135 ( 0.000 0.000 0.000) 0.000 37.178 ( 0.000 0.000 0.000) 0.000 37.375 ( 0.000 0.000 0.000) 0.000 37.527 ( 0.000 0.000 0.000) 0.000 37.826 ( 0.000 0.000 0.000) 0.000 37.922 ( 0.000 0.000 0.000) 0.000 37.974 ( 0.000 0.000 0.000) 0.000 38.124 ( 0.000 0.000 0.000) 0.000 38.140 ( 0.000 0.000 0.000) 0.000 38.315 ( 0.000 0.000 0.000) 0.000 38.557 ( 0.000 0.000 0.000) 0.000 39.402 ( 0.000 0.000 0.000) 0.000 39.725 ( 0.000 0.000 0.000) 0.000 39.853 ( 0.000 0.000 0.000) 0.000 39.858 ( 0.000 0.000 0.000) 0.000 40.878 ( 0.000 0.000 0.000) 0.000 40.957 ( 0.000 0.000 0.000) 0.000 41.098 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 20.795 0.000 28.902) 35.606 0.597 ( 27.557 0.000 12.653) 30.323 1.022 ( 48.246 0.000 19.219) 51.933 1.630 ( 6.396 0.000 0.110) 6.396 2.056 ( 2.962 0.000 3.783) 4.805 2.128 ( -3.107 0.000 -5.168) 6.030 2.409 ( -3.784 0.000 2.240) 4.397 2.462 ( 4.098 0.000 -1.385) 4.325 2.546 ( -5.383 0.000 -7.735) 9.423 2.695 ( 0.497 0.000 0.233) 0.549 2.777 ( 2.334 0.000 -5.579) 6.047 2.941 ( -0.129 0.000 4.887) 4.889 3.028 ( 2.010 0.000 -0.735) 2.140 3.365 ( -9.649 0.000 0.368) 9.656 3.420 ( -4.164 0.000 8.275) 9.264 3.484 ( -7.857 0.000 -2.687) 8.304 3.621 ( -13.050 0.000 15.397) 20.184 3.686 ( -6.271 0.000 -2.735) 6.841 3.745 ( -1.519 0.000 -8.500) 8.634 3.899 ( 1.927 0.000 1.498) 2.441 3.908 ( 4.196 0.000 1.728) 4.538 4.094 ( 5.557 0.000 -0.578) 5.587 4.099 ( 4.416 0.000 -3.671) 5.743 4.126 ( -1.909 0.000 5.150) 5.492 4.166 ( 4.328 0.000 2.673) 5.087 4.342 ( 8.690 0.000 -3.395) 9.329 4.444 ( -0.504 0.000 -1.407) 1.495 4.511 ( 7.589 0.000 -0.037) 7.590 4.596 ( 4.169 0.000 -4.572) 6.188 4.667 ( 3.282 0.000 -1.798) 3.742 4.761 ( 4.865 0.000 0.032) 4.865 4.774 ( -0.713 0.000 -2.453) 2.555 4.818 ( 8.860 0.000 -16.711) 18.914 4.921 ( 3.693 0.000 4.497) 5.819 5.010 ( 6.022 0.000 4.445) 7.485 5.066 ( 6.295 0.000 -2.549) 6.792 5.283 ( 2.354 0.000 5.149) 5.661 5.350 ( 4.727 0.000 1.605) 4.992 5.567 ( 2.340 0.000 0.386) 2.371 5.689 ( -1.250 0.000 -4.404) 4.578 5.700 ( 5.133 0.000 4.833) 7.051 5.747 ( 4.796 0.000 2.371) 5.349 5.831 ( 1.130 0.000 0.621) 1.289 5.854 ( -2.672 0.000 1.358) 2.997 5.918 ( 10.140 0.000 -23.740) 25.815 5.997 ( 5.482 0.000 -4.357) 7.003 6.065 ( -3.909 0.000 0.070) 3.909 6.271 ( 7.421 0.000 -0.712) 7.455 6.275 ( -0.226 0.000 -0.215) 0.312 6.326 ( 4.047 0.000 2.442) 4.727 6.375 ( 5.451 0.000 -1.975) 5.798 6.521 ( 3.672 0.000 3.786) 5.274 6.540 ( 13.330 0.000 0.952) 13.364 6.592 ( -0.148 0.000 4.193) 4.196 6.873 ( 0.817 0.000 2.387) 2.522 6.919 ( -4.340 0.000 -0.242) 4.346 7.052 ( 2.049 0.000 -0.258) 2.065 7.079 ( 7.642 0.000 1.567) 7.801 7.088 ( -1.363 0.000 -0.905) 1.637 7.292 ( 0.901 0.000 -0.317) 0.955 7.337 ( -1.545 0.000 -5.148) 5.375 7.344 ( -1.417 0.000 -8.976) 9.087 7.374 ( 1.065 0.000 -1.238) 1.633 7.446 ( -1.210 0.000 -12.330) 12.389 7.534 ( 2.945 0.000 -3.249) 4.386 7.637 ( 7.673 0.000 -7.560) 10.772 7.653 ( 3.375 0.000 8.980) 9.593 7.696 ( 3.240 0.000 -2.451) 4.063 7.741 ( -0.057 0.000 -5.390) 5.391 7.762 ( 3.926 0.000 13.089) 13.665 7.809 ( -0.708 0.000 2.965) 3.048 7.875 ( 0.649 0.000 -4.744) 4.788 8.066 ( 4.506 0.000 -0.911) 4.597 8.156 ( 0.320 0.000 4.285) 4.297 8.259 ( 3.631 0.000 -2.447) 4.379 8.290 ( 0.441 0.000 -3.327) 3.356 8.320 ( 2.708 0.000 -3.664) 4.557 8.392 ( 4.055 0.000 2.483) 4.755 8.493 ( -3.957 0.000 -6.147) 7.310 8.650 ( 0.881 0.000 0.834) 1.213 8.716 ( -4.171 0.000 -2.891) 5.075 8.755 ( 2.452 0.000 -1.931) 3.120 8.775 ( -0.692 0.000 -3.855) 3.916 8.852 ( -3.411 0.000 12.386) 12.847 8.986 ( 1.789 0.000 2.078) 2.742 9.049 ( 0.773 0.000 2.679) 2.788 9.102 ( -2.249 0.000 -4.617) 5.136 9.152 ( -3.810 0.000 -3.069) 4.892 9.254 ( -4.381 0.000 1.800) 4.737 9.321 ( 0.286 0.000 3.392) 3.404 9.356 ( -1.933 0.000 -5.853) 6.164 9.396 ( -1.876 0.000 -1.798) 2.599 9.496 ( -1.801 0.000 1.437) 2.304 9.585 ( -6.147 0.000 -3.507) 7.077 9.692 ( -2.059 0.000 -0.409) 2.099 9.720 ( -1.728 0.000 1.144) 2.072 9.915 ( -5.620 0.000 -3.193) 6.464 9.921 ( 0.589 0.000 -0.330) 0.675 9.958 ( -4.108 0.000 5.228) 6.649 10.039 ( 0.197 0.000 -11.793) 11.794 10.062 ( 2.568 0.000 4.210) 4.931 10.078 ( -2.247 0.000 6.557) 6.931 10.327 ( 1.841 0.000 -0.493) 1.906 10.476 ( 2.723 0.000 8.170) 8.612 10.559 ( -4.428 0.000 -6.518) 7.880 10.707 ( -2.384 0.000 -3.305) 4.075 10.951 ( -22.028 0.000 28.463) 35.991 11.136 ( -9.967 0.000 -0.321) 9.973 11.149 ( -8.420 0.000 2.382) 8.751 11.179 ( -5.797 0.000 -1.026) 5.887 11.442 ( -5.016 0.000 2.380) 5.552 11.449 ( -1.650 0.000 -2.129) 2.694 11.579 ( 3.570 0.000 7.320) 8.144 11.781 ( -2.320 0.000 2.024) 3.079 11.888 ( -8.454 0.000 -0.149) 8.455 12.449 ( -8.641 0.000 -2.296) 8.941 12.458 ( 16.262 0.000 7.147) 17.763 12.547 ( 1.241 0.000 -1.991) 2.346 12.789 ( -0.785 0.000 -4.900) 4.962 13.631 ( -7.807 0.000 16.249) 18.027 13.764 ( 1.126 0.000 0.032) 1.126 14.358 ( -5.166 0.000 1.976) 5.532 14.441 ( -5.705 0.000 1.660) 5.941 14.513 ( -6.330 0.000 -5.215) 8.202 14.608 ( -1.508 0.000 -2.135) 2.614 14.651 ( -0.482 0.000 3.563) 3.596 14.929 ( 1.033 0.000 1.912) 2.173 15.050 ( 1.598 0.000 -2.674) 3.115 16.221 ( -0.506 0.000 5.026) 5.051 16.312 ( 1.138 0.000 -2.427) 2.681 16.682 ( 1.200 0.000 -0.690) 1.384 16.762 ( 1.843 0.000 -1.140) 2.167 17.009 ( 2.172 0.000 -2.783) 3.531 17.049 ( -0.961 0.000 2.148) 2.353 17.231 ( 0.974 0.000 -1.579) 1.855 17.260 ( -1.384 0.000 -9.849) 9.945 17.323 ( 0.088 0.000 2.126) 2.128 17.360 ( -0.689 0.000 0.486) 0.843 17.509 ( 0.919 0.000 3.872) 3.979 17.512 ( 0.234 0.000 1.771) 1.786 17.620 ( 1.423 0.000 -4.548) 4.766 17.725 ( -1.988 0.000 -0.368) 2.022 17.778 ( -0.398 0.000 4.929) 4.945 17.828 ( -0.356 0.000 2.194) 2.223 17.907 ( 0.885 0.000 -3.661) 3.766 17.960 ( -0.713 0.000 -2.369) 2.474 17.972 ( -3.611 0.000 -3.666) 5.145 18.026 ( -1.599 0.000 3.690) 4.022 18.100 ( 1.301 0.000 5.219) 5.379 18.236 ( -0.712 0.000 1.266) 1.452 18.309 ( 1.497 0.000 5.324) 5.530 18.455 ( 0.446 0.000 -2.870) 2.904 18.522 ( -0.688 0.000 0.489) 0.844 18.594 ( -3.776 0.000 2.941) 4.786 18.750 ( 0.588 0.000 0.075) 0.593 18.830 ( -0.898 0.000 0.358) 0.967 20.164 ( 9.190 0.000 -0.015) 9.191 20.170 ( 9.781 0.000 -0.107) 9.782 20.177 ( 9.655 0.000 0.958) 9.702 20.215 ( 13.123 0.000 0.021) 13.123 20.225 ( 14.757 0.000 -0.957) 14.788 21.595 ( 30.279 0.000 -70.237) 76.485 22.102 ( -2.600 0.000 0.812) 2.723 22.130 ( -2.503 0.000 -0.949) 2.677 22.140 ( -3.256 0.000 1.520) 3.594 22.158 ( -2.519 0.000 -0.149) 2.523 22.174 ( 0.188 0.000 -5.043) 5.047 22.179 ( -0.633 0.000 -1.416) 1.551 26.982 ( 0.257 0.000 -0.278) 0.379 27.017 ( 0.155 0.000 0.767) 0.782 27.112 ( 0.265 0.000 -0.002) 0.265 27.119 ( 0.374 0.000 -0.318) 0.491 27.525 ( -0.574 0.000 0.109) 0.584 27.607 ( -0.402 0.000 -0.210) 0.454 27.634 ( -0.866 0.000 -0.246) 0.901 27.639 ( -1.112 0.000 -0.068) 1.115 27.817 ( 0.873 0.000 0.519) 1.015 27.892 ( -0.319 0.000 -0.254) 0.408 28.021 ( -1.030 0.000 -0.076) 1.033 28.040 ( -1.706 0.000 0.315) 1.735 36.638 ( 2.886 0.000 -0.115) 2.888 36.920 ( 3.420 0.000 -7.499) 8.242 36.947 ( 2.986 0.000 2.612) 3.967 37.007 ( 0.907 0.000 8.883) 8.929 37.038 ( -0.203 0.000 2.133) 2.142 37.072 ( 2.177 0.000 2.534) 3.341 37.192 ( 1.165 0.000 1.189) 1.664 37.277 ( -7.762 0.000 21.706) 23.052 37.402 ( 3.672 0.000 -1.423) 3.938 37.555 ( 2.847 0.000 0.651) 2.921 37.820 ( -2.309 0.000 4.248) 4.836 37.988 ( 0.968 0.000 1.414) 1.714 38.063 ( -2.647 0.000 10.066) 10.408 38.159 ( 3.952 0.000 0.440) 3.976 38.337 ( 3.545 0.000 -1.919) 4.031 38.532 ( -0.964 0.000 -4.114) 4.226 38.614 ( -40.539 0.000 94.330) 102.672 39.257 ( -8.913 0.000 -13.323) 16.030 39.673 ( -6.143 0.000 -16.337) 17.454 39.741 ( -4.993 0.000 12.194) 13.176 39.925 ( -5.576 0.000 14.052) 15.118 40.760 ( -13.540 0.000 0.313) 13.544 40.851 ( -16.343 0.000 4.676) 16.999 40.907 ( -19.238 0.000 -3.114) 19.488 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 23.329 0.000 7.966) 24.652 1.150 ( 20.557 0.000 26.492) 33.532 1.797 ( 11.575 0.000 3.817) 12.188 1.920 ( 37.166 0.000 10.074) 38.507 2.037 ( 1.130 0.000 -3.725) 3.893 2.169 ( 5.841 0.000 5.002) 7.690 2.388 ( -0.010 0.000 1.779) 1.779 2.426 ( -4.521 0.000 1.244) 4.690 2.538 ( 6.037 0.000 -4.955) 7.810 2.684 ( 1.074 0.000 -7.275) 7.353 2.787 ( 1.957 0.000 -1.980) 2.784 2.967 ( -0.251 0.000 4.577) 4.584 3.044 ( -0.012 0.000 -0.485) 0.486 3.215 ( -5.075 0.000 -3.396) 6.107 3.271 ( -16.122 0.000 7.493) 17.778 3.318 ( -6.850 0.000 -4.458) 8.173 3.533 ( -8.141 0.000 -2.916) 8.647 3.612 ( 0.488 0.000 5.944) 5.964 3.712 ( 1.628 0.000 -2.836) 3.270 3.911 ( -1.277 0.000 -1.962) 2.341 3.951 ( -1.444 0.000 -0.713) 1.611 4.074 ( -1.234 0.000 4.882) 5.036 4.107 ( -6.717 0.000 -0.381) 6.728 4.212 ( 6.563 0.000 -4.119) 7.749 4.240 ( 4.594 0.000 3.081) 5.532 4.448 ( 4.975 0.000 -0.274) 4.982 4.520 ( 9.011 0.000 1.670) 9.164 4.577 ( 1.046 0.000 -9.940) 9.994 4.657 ( 4.054 0.000 -7.800) 8.790 4.729 ( 3.561 0.000 -2.900) 4.592 4.761 ( 7.047 0.000 -1.576) 7.221 4.843 ( 5.836 0.000 -4.612) 7.438 4.937 ( 9.429 0.000 5.174) 10.755 5.056 ( 6.891 0.000 6.365) 9.381 5.140 ( 5.061 0.000 -2.794) 5.781 5.165 ( 7.202 0.000 4.424) 8.452 5.383 ( 4.815 0.000 -3.010) 5.679 5.475 ( 6.309 0.000 4.747) 7.896 5.593 ( 0.020 0.000 1.396) 1.396 5.693 ( 5.477 0.000 0.216) 5.481 5.813 ( 0.738 0.000 7.366) 7.403 5.815 ( 2.566 0.000 -3.611) 4.430 5.877 ( 5.350 0.000 -8.289) 9.865 5.878 ( 3.508 0.000 0.427) 3.534 5.982 ( 12.505 0.000 -3.451) 12.973 6.003 ( -3.877 0.000 3.610) 5.297 6.153 ( 13.700 0.000 -0.388) 13.706 6.220 ( -2.903 0.000 -3.731) 4.728 6.332 ( 0.640 0.000 -4.060) 4.110 6.460 ( 7.571 0.000 -1.454) 7.709 6.467 ( 9.773 0.000 2.196) 10.016 6.643 ( 5.644 0.000 -0.799) 5.701 6.736 ( 9.285 0.000 1.203) 9.363 6.804 ( 11.942 0.000 1.639) 12.054 6.832 ( -6.669 0.000 6.678) 9.437 6.877 ( 3.287 0.000 5.810) 6.675 7.046 ( 5.564 0.000 -6.417) 8.493 7.122 ( 0.669 0.000 -0.791) 1.036 7.211 ( -0.492 0.000 2.369) 2.420 7.268 ( 0.831 0.000 -13.777) 13.802 7.279 ( 2.504 0.000 -5.567) 6.104 7.350 ( 3.554 0.000 1.682) 3.932 7.360 ( 4.014 0.000 -2.521) 4.740 7.477 ( 8.353 0.000 3.592) 9.092 7.564 ( 3.823 0.000 -3.768) 5.368 7.639 ( 0.051 0.000 -2.329) 2.330 7.762 ( 7.533 0.000 -3.638) 8.365 7.790 ( 3.786 0.000 4.030) 5.529 7.806 ( 6.014 0.000 8.587) 10.483 7.830 ( -2.349 0.000 -0.999) 2.553 7.847 ( 4.519 0.000 -0.677) 4.569 7.902 ( 1.421 0.000 9.861) 9.963 8.133 ( 4.067 0.000 -2.123) 4.588 8.186 ( -1.115 0.000 3.681) 3.846 8.232 ( 1.029 0.000 -11.732) 11.777 8.353 ( 6.004 0.000 2.074) 6.352 8.366 ( 0.709 0.000 -4.623) 4.677 8.371 ( 1.036 0.000 -5.213) 5.315 8.500 ( 4.113 0.000 3.750) 5.566 8.616 ( -4.272 0.000 -2.094) 4.758 8.678 ( 1.898 0.000 -1.242) 2.268 8.728 ( -1.424 0.000 -3.765) 4.026 8.765 ( 0.767 0.000 -0.756) 1.077 8.851 ( -3.291 0.000 2.060) 3.883 9.007 ( -3.594 0.000 -4.290) 5.596 9.057 ( 1.314 0.000 1.224) 1.796 9.067 ( -4.696 0.000 -0.739) 4.754 9.103 ( 2.551 0.000 8.288) 8.671 9.113 ( -7.585 0.000 -6.480) 9.976 9.285 ( -3.485 0.000 -2.430) 4.248 9.307 ( -5.975 0.000 -0.453) 5.993 9.375 ( 3.790 0.000 -1.522) 4.084 9.391 ( -7.818 0.000 -4.947) 9.251 9.485 ( -5.210 0.000 2.617) 5.830 9.622 ( -4.638 0.000 -1.855) 4.995 9.690 ( -2.507 0.000 0.509) 2.558 9.774 ( -7.002 0.000 -2.964) 7.604 9.904 ( -7.175 0.000 -5.673) 9.147 9.932 ( -4.831 0.000 8.063) 9.400 9.934 ( -0.229 0.000 0.470) 0.523 10.085 ( -3.955 0.000 4.251) 5.806 10.092 ( -1.293 0.000 4.403) 4.589 10.375 ( -10.910 0.000 -2.806) 11.265 10.376 ( 2.246 0.000 0.745) 2.366 10.576 ( 1.532 0.000 6.038) 6.229 10.622 ( -7.520 0.000 -0.358) 7.529 10.758 ( -13.651 0.000 8.242) 15.946 10.927 ( -11.310 0.000 -3.110) 11.730 10.964 ( -12.163 0.000 -1.046) 12.208 11.063 ( -7.949 0.000 5.058) 9.422 11.307 ( -11.335 0.000 2.156) 11.538 11.376 ( -2.614 0.000 -6.261) 6.784 11.688 ( 2.552 0.000 5.237) 5.826 11.753 ( -4.356 0.000 5.759) 7.221 11.842 ( 0.257 0.000 6.205) 6.210 12.207 ( -15.163 0.000 -4.984) 15.961 12.559 ( 2.064 0.000 -2.645) 3.355 12.726 ( -0.982 0.000 -7.239) 7.305 12.767 ( 12.099 0.000 6.496) 13.732 13.595 ( -6.443 0.000 7.376) 9.794 13.786 ( 1.318 0.000 -0.559) 1.432 14.240 ( -12.799 0.000 -2.584) 13.058 14.267 ( -6.822 0.000 3.870) 7.844 14.454 ( 1.799 0.000 -5.657) 5.936 14.564 ( -1.663 0.000 -1.869) 2.502 14.671 ( -0.603 0.000 4.003) 4.049 14.939 ( -0.451 0.000 -0.220) 0.502 15.065 ( 0.692 0.000 0.898) 1.134 16.258 ( 1.266 0.000 2.672) 2.957 16.315 ( 1.623 0.000 -3.460) 3.822 16.709 ( 2.644 0.000 -1.281) 2.938 16.786 ( 1.974 0.000 -1.961) 2.783 17.025 ( 2.484 0.000 -4.190) 4.871 17.058 ( -0.103 0.000 3.065) 3.066 17.174 ( 0.049 0.000 -8.587) 8.588 17.237 ( 1.456 0.000 -2.549) 2.935 17.343 ( 0.064 0.000 2.475) 2.476 17.349 ( -1.147 0.000 0.774) 1.384 17.531 ( 0.173 0.000 2.236) 2.243 17.539 ( 0.410 0.000 0.099) 0.422 17.620 ( 1.929 0.000 -2.692) 3.312 17.694 ( -1.013 0.000 -0.707) 1.236 17.779 ( -0.685 0.000 0.065) 0.688 17.858 ( -3.658 0.000 -4.984) 6.182 17.882 ( 0.679 0.000 9.707) 9.731 17.896 ( -0.443 0.000 -3.894) 3.919 17.918 ( -1.493 0.000 -3.234) 3.562 18.024 ( -2.045 0.000 4.326) 4.785 18.173 ( 1.557 0.000 6.810) 6.985 18.227 ( -1.571 0.000 1.412) 2.112 18.375 ( 1.178 0.000 5.421) 5.547 18.438 ( 1.289 0.000 -5.492) 5.641 18.500 ( -2.177 0.000 -0.027) 2.177 18.556 ( -3.595 0.000 5.417) 6.502 18.764 ( 0.867 0.000 0.052) 0.869 18.817 ( -1.124 0.000 1.113) 1.582 20.392 ( 15.630 0.000 0.471) 15.637 20.393 ( 16.136 0.000 0.829) 16.157 20.439 ( 17.626 0.000 2.246) 17.769 20.511 ( 19.938 0.000 -1.164) 19.972 20.539 ( 21.087 0.000 -2.272) 21.209 21.610 ( 15.623 0.000 -34.124) 37.530 22.042 ( -5.364 0.000 1.583) 5.592 22.051 ( -5.623 0.000 -1.185) 5.747 22.077 ( -5.538 0.000 1.819) 5.829 22.093 ( -5.194 0.000 0.452) 5.214 22.118 ( -2.890 0.000 -3.065) 4.213 22.134 ( -3.011 0.000 -2.589) 3.971 26.986 ( 0.454 0.000 -0.060) 0.458 27.026 ( 0.105 0.000 0.828) 0.834 27.118 ( 0.447 0.000 -0.003) 0.447 27.124 ( 0.549 0.000 -0.468) 0.721 27.515 ( -0.781 0.000 0.567) 0.966 27.591 ( -1.138 0.000 -0.433) 1.217 27.611 ( -1.441 0.000 -0.415) 1.499 27.620 ( -0.898 0.000 -0.036) 0.899 27.840 ( 1.191 0.000 0.661) 1.362 27.883 ( -0.429 0.000 -0.409) 0.592 27.995 ( -1.799 0.000 -0.127) 1.804 28.005 ( -2.500 0.000 0.614) 2.575 36.706 ( 5.183 0.000 -0.942) 5.268 36.940 ( 4.933 0.000 -7.144) 8.682 37.047 ( -1.220 0.000 4.331) 4.500 37.051 ( 4.983 0.000 5.004) 7.062 37.101 ( 1.828 0.000 9.222) 9.402 37.169 ( 6.053 0.000 4.419) 7.494 37.238 ( 2.566 0.000 1.977) 3.239 37.310 ( -2.611 0.000 11.808) 12.094 37.478 ( 6.289 0.000 -2.068) 6.620 37.630 ( 4.884 0.000 0.872) 4.961 37.812 ( -2.460 0.000 4.783) 5.378 38.028 ( 1.696 0.000 3.038) 3.480 38.102 ( 1.605 0.000 3.680) 4.015 38.272 ( 8.406 0.000 0.963) 8.461 38.414 ( 6.889 0.000 -2.293) 7.260 38.472 ( -0.834 0.000 -6.881) 6.931 38.595 ( -18.868 0.000 40.240) 44.444 38.949 ( -14.106 0.000 -12.399) 18.781 39.412 ( -9.553 0.000 -16.085) 18.708 39.696 ( -10.491 0.000 11.882) 15.850 39.868 ( -11.546 0.000 11.355) 16.194 40.399 ( -28.532 0.000 0.522) 28.537 40.464 ( -24.700 0.000 -5.207) 25.242 40.524 ( -23.610 0.000 4.665) 24.066 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 18.158 0.000 4.456) 18.697 1.680 ( 18.896 0.000 22.374) 29.286 2.033 ( 7.649 0.000 -7.815) 10.936 2.109 ( 16.800 0.000 10.621) 19.876 2.285 ( 0.511 0.000 3.832) 3.866 2.316 ( 0.006 0.000 3.608) 3.608 2.400 ( 3.258 0.000 1.443) 3.563 2.588 ( 7.683 0.000 2.239) 8.003 2.591 ( 3.799 0.000 -8.673) 9.468 2.673 ( 10.429 0.000 -1.764) 10.577 2.809 ( -0.376 0.000 3.643) 3.663 2.953 ( -6.086 0.000 7.333) 9.529 2.990 ( -8.382 0.000 0.002) 8.382 3.111 ( -2.079 0.000 4.891) 5.315 3.151 ( -5.111 0.000 -4.103) 6.554 3.265 ( 8.756 0.000 -0.695) 8.784 3.382 ( -5.855 0.000 -1.030) 5.945 3.638 ( -0.748 0.000 -3.435) 3.515 3.723 ( 1.158 0.000 -0.029) 1.159 3.819 ( -11.649 0.000 -0.535) 11.661 3.895 ( 4.079 0.000 -3.221) 5.197 3.949 ( -8.678 0.000 -4.421) 9.739 4.133 ( 2.122 0.000 5.362) 5.767 4.251 ( 0.061 0.000 -1.552) 1.553 4.377 ( 8.391 0.000 2.305) 8.702 4.442 ( -7.650 0.000 -7.604) 10.787 4.537 ( 3.953 0.000 -9.864) 10.627 4.564 ( 0.694 0.000 2.760) 2.846 4.734 ( 9.311 0.000 -2.713) 9.698 4.744 ( 0.810 0.000 -2.460) 2.590 4.900 ( 3.034 0.000 -1.565) 3.414 4.936 ( 10.128 0.000 -1.659) 10.263 5.144 ( 7.705 0.000 6.057) 9.801 5.223 ( 6.035 0.000 -1.872) 6.319 5.232 ( 8.232 0.000 3.040) 8.775 5.334 ( 9.995 0.000 2.631) 10.335 5.420 ( 4.512 0.000 -3.404) 5.652 5.583 ( 2.259 0.000 3.203) 3.919 5.635 ( 2.902 0.000 4.874) 5.672 5.763 ( 0.689 0.000 -9.364) 9.389 5.812 ( -2.184 0.000 -4.121) 4.664 5.842 ( 3.709 0.000 -0.239) 3.716 5.929 ( 4.042 0.000 1.405) 4.279 5.957 ( 2.635 0.000 1.543) 3.054 5.993 ( 0.723 0.000 2.853) 2.943 6.143 ( 2.744 0.000 -2.312) 3.588 6.197 ( 5.136 0.000 1.854) 5.460 6.387 ( 7.312 0.000 5.824) 9.348 6.408 ( 12.122 0.000 3.112) 12.515 6.557 ( 1.715 0.000 -2.662) 3.167 6.619 ( -0.347 0.000 -0.430) 0.552 6.682 ( 12.072 0.000 0.159) 12.073 6.820 ( -0.594 0.000 11.307) 11.322 6.903 ( 7.343 0.000 -7.804) 10.716 6.938 ( 5.825 0.000 -3.637) 6.867 7.026 ( 2.639 0.000 -1.366) 2.972 7.068 ( 0.953 0.000 -4.237) 4.343 7.168 ( 4.637 0.000 3.191) 5.628 7.210 ( 10.278 0.000 -2.586) 10.598 7.251 ( 1.729 0.000 4.734) 5.040 7.327 ( 6.628 0.000 -5.901) 8.874 7.385 ( 1.370 0.000 -3.751) 3.994 7.501 ( 8.825 0.000 1.580) 8.965 7.623 ( 4.845 0.000 -0.555) 4.877 7.672 ( 1.135 0.000 5.587) 5.701 7.681 ( 11.137 0.000 2.403) 11.393 7.780 ( -1.755 0.000 -0.401) 1.800 7.894 ( 5.994 0.000 1.359) 6.146 7.895 ( 8.538 0.000 -0.200) 8.540 7.962 ( 4.011 0.000 4.357) 5.922 7.966 ( 8.172 0.000 -0.726) 8.205 7.996 ( 5.364 0.000 4.228) 6.830 8.149 ( 0.724 0.000 -7.229) 7.265 8.160 ( -0.806 0.000 -4.279) 4.354 8.211 ( 5.980 0.000 -2.809) 6.607 8.289 ( 0.082 0.000 -3.481) 3.482 8.457 ( 4.650 0.000 -0.624) 4.691 8.466 ( 2.105 0.000 3.929) 4.457 8.521 ( -3.813 0.000 1.338) 4.041 8.584 ( 1.646 0.000 -1.210) 2.042 8.648 ( -4.680 0.000 -3.188) 5.663 8.677 ( -1.479 0.000 -1.504) 2.109 8.748 ( -4.044 0.000 -6.984) 8.071 8.787 ( 0.665 0.000 0.094) 0.672 8.925 ( -6.042 0.000 -4.917) 7.790 8.945 ( -2.491 0.000 0.933) 2.660 8.980 ( -6.468 0.000 -2.024) 6.778 9.079 ( -0.538 0.000 3.487) 3.528 9.177 ( -4.553 0.000 2.526) 5.207 9.178 ( -5.432 0.000 -6.088) 8.159 9.203 ( -0.064 0.000 2.624) 2.625 9.269 ( -2.348 0.000 0.871) 2.504 9.381 ( -8.199 0.000 0.844) 8.243 9.455 ( 6.074 0.000 -0.731) 6.118 9.532 ( -3.907 0.000 -0.689) 3.967 9.632 ( -3.638 0.000 -2.137) 4.220 9.642 ( -5.656 0.000 -1.184) 5.779 9.716 ( -10.288 0.000 -1.598) 10.411 9.886 ( -5.758 0.000 -2.126) 6.138 9.904 ( -5.092 0.000 6.487) 8.247 10.002 ( -7.838 0.000 3.144) 8.445 10.067 ( -5.500 0.000 1.323) 5.657 10.203 ( -6.689 0.000 1.375) 6.829 10.346 ( -6.978 0.000 1.044) 7.056 10.451 ( -11.323 0.000 6.451) 13.032 10.556 ( -6.570 0.000 -4.391) 7.903 10.601 ( -8.246 0.000 -1.677) 8.415 10.736 ( -5.499 0.000 -7.082) 8.966 10.807 ( -4.068 0.000 5.537) 6.871 11.000 ( -3.458 0.000 3.596) 4.989 11.120 ( -11.003 0.000 2.188) 11.219 11.290 ( -1.495 0.000 -5.475) 5.675 11.707 ( -6.121 0.000 6.355) 8.823 11.747 ( 1.041 0.000 4.089) 4.220 11.886 ( -15.606 0.000 -5.505) 16.549 11.948 ( 3.189 0.000 10.852) 11.311 12.580 ( 2.483 0.000 -2.444) 3.484 12.655 ( -0.985 0.000 -6.601) 6.675 12.937 ( 3.583 0.000 0.640) 3.639 13.518 ( -6.687 0.000 3.045) 7.348 13.796 ( 0.487 0.000 -0.954) 1.071 14.045 ( -5.740 0.000 -2.265) 6.171 14.199 ( -4.186 0.000 4.108) 5.865 14.456 ( 1.893 0.000 -3.670) 4.129 14.523 ( -1.546 0.000 -1.541) 2.183 14.686 ( -0.897 0.000 3.487) 3.601 14.925 ( -0.268 0.000 -0.829) 0.871 15.077 ( -0.558 0.000 1.441) 1.545 16.299 ( 1.632 0.000 0.992) 1.909 16.319 ( 1.333 0.000 -2.207) 2.578 16.749 ( 2.868 0.000 -1.394) 3.189 16.799 ( 1.361 0.000 -2.566) 2.904 17.036 ( 1.460 0.000 -1.824) 2.336 17.081 ( 0.785 0.000 0.765) 1.096 17.147 ( 2.486 0.000 -4.479) 5.123 17.247 ( 1.830 0.000 -2.140) 2.816 17.331 ( -1.367 0.000 0.587) 1.488 17.352 ( -1.117 0.000 1.908) 2.211 17.526 ( -0.644 0.000 -1.954) 2.057 17.548 ( -0.460 0.000 2.447) 2.490 17.645 ( 2.008 0.000 -0.723) 2.134 17.677 ( -0.054 0.000 -1.540) 1.541 17.761 ( -2.593 0.000 -4.677) 5.347 17.778 ( 0.464 0.000 0.483) 0.669 17.860 ( -1.397 0.000 -1.861) 2.327 17.867 ( -1.227 0.000 -3.683) 3.882 17.971 ( 0.909 0.000 9.696) 9.739 18.019 ( -1.888 0.000 4.080) 4.496 18.202 ( -2.128 0.000 0.703) 2.242 18.249 ( 1.748 0.000 5.484) 5.755 18.414 ( 1.501 0.000 -8.566) 8.696 18.424 ( 0.437 0.000 3.727) 3.752 18.460 ( -2.738 0.000 2.497) 3.705 18.545 ( -2.067 0.000 4.350) 4.816 18.779 ( 0.816 0.000 -0.108) 0.824 18.809 ( -0.856 0.000 1.341) 1.590 20.708 ( 19.163 0.000 1.157) 19.198 20.721 ( 19.651 0.000 1.729) 19.727 20.800 ( 20.123 0.000 4.295) 20.577 20.861 ( 20.847 0.000 -2.367) 20.981 20.892 ( 21.027 0.000 -3.442) 21.307 21.634 ( 9.909 0.000 -20.165) 22.468 21.911 ( -9.193 0.000 -1.718) 9.352 21.935 ( -8.394 0.000 1.976) 8.623 21.972 ( -8.226 0.000 2.436) 8.579 21.973 ( -7.813 0.000 -2.247) 8.130 22.029 ( -6.352 0.000 -4.071) 7.545 22.041 ( -4.724 0.000 0.743) 4.783 26.996 ( 0.486 0.000 0.248) 0.546 27.031 ( -0.085 0.000 0.477) 0.485 27.127 ( 0.512 0.000 -0.147) 0.532 27.130 ( 0.458 0.000 -0.299) 0.547 27.509 ( -0.440 0.000 0.609) 0.751 27.568 ( -1.056 0.000 -0.352) 1.113 27.581 ( -1.506 0.000 -0.425) 1.564 27.605 ( -0.693 0.000 -0.241) 0.734 27.866 ( 1.231 0.000 0.470) 1.317 27.873 ( -0.227 0.000 -0.477) 0.528 27.959 ( -2.061 0.000 -0.094) 2.063 27.967 ( -2.307 0.000 0.798) 2.442 36.799 ( 6.618 0.000 -2.286) 7.002 36.980 ( 5.035 0.000 -6.208) 7.993 37.047 ( -3.046 0.000 6.225) 6.930 37.178 ( 5.113 0.000 2.976) 5.916 37.199 ( 1.237 0.000 9.021) 9.106 37.294 ( 1.939 0.000 1.690) 2.572 37.360 ( 10.417 0.000 8.524) 13.460 37.371 ( 1.238 0.000 9.083) 9.167 37.583 ( 7.212 0.000 -2.083) 7.506 37.738 ( 6.748 0.000 0.832) 6.799 37.803 ( -1.986 0.000 3.223) 3.786 38.090 ( 2.177 0.000 4.148) 4.684 38.184 ( 5.825 0.000 0.672) 5.863 38.417 ( 1.059 0.000 -5.650) 5.748 38.459 ( -6.933 0.000 -6.815) 9.722 38.467 ( 12.592 0.000 0.062) 12.592 38.577 ( 2.341 0.000 6.062) 6.498 38.660 ( -12.969 0.000 8.913) 15.737 39.115 ( -10.505 0.000 -15.194) 18.472 39.560 ( -13.180 0.000 8.540) 15.705 39.696 ( -16.084 0.000 7.991) 17.960 39.862 ( -30.411 0.000 0.174) 30.412 39.967 ( -27.124 0.000 -6.125) 27.807 40.135 ( -24.073 0.000 5.259) 24.640 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 16.458 0.000 7.482) 18.078 2.104 ( 12.944 0.000 4.919) 13.847 2.168 ( 11.611 0.000 5.718) 12.943 2.255 ( -1.321 0.000 0.571) 1.439 2.298 ( -4.462 0.000 5.075) 6.757 2.467 ( -3.552 0.000 -7.821) 8.590 2.484 ( 13.087 0.000 8.003) 15.340 2.555 ( 5.581 0.000 -0.734) 5.630 2.595 ( 3.035 0.000 -9.951) 10.404 2.787 ( -3.524 0.000 6.780) 7.641 2.820 ( -1.354 0.000 2.439) 2.790 2.833 ( -7.663 0.000 2.595) 8.090 2.904 ( -6.274 0.000 -2.966) 6.940 3.028 ( -2.822 0.000 4.734) 5.512 3.222 ( 6.842 0.000 0.896) 6.901 3.332 ( 1.310 0.000 3.305) 3.555 3.522 ( -5.162 0.000 -7.044) 8.733 3.523 ( 13.753 0.000 3.958) 14.311 3.602 ( -11.101 0.000 1.116) 11.157 3.734 ( -10.355 0.000 -7.680) 12.892 3.801 ( 5.567 0.000 1.682) 5.816 3.965 ( 4.020 0.000 -4.022) 5.686 4.134 ( -1.855 0.000 -1.083) 2.148 4.185 ( -12.529 0.000 -8.983) 15.417 4.295 ( 2.807 0.000 5.461) 6.140 4.546 ( 7.864 0.000 0.180) 7.866 4.555 ( 4.271 0.000 -6.838) 8.063 4.596 ( 1.135 0.000 2.505) 2.750 4.731 ( -0.698 0.000 -0.377) 0.793 4.833 ( 3.268 0.000 -1.077) 3.441 4.921 ( 0.333 0.000 -0.348) 0.482 5.047 ( 4.161 0.000 -2.151) 4.684 5.279 ( 4.194 0.000 3.084) 5.206 5.304 ( 4.813 0.000 -2.017) 5.219 5.364 ( 5.316 0.000 -0.102) 5.317 5.512 ( 3.940 0.000 3.665) 5.381 5.533 ( 7.863 0.000 2.830) 8.357 5.603 ( -1.200 0.000 0.790) 1.437 5.688 ( -0.929 0.000 -7.313) 7.372 5.702 ( -3.310 0.000 0.956) 3.445 5.782 ( 5.923 0.000 2.716) 6.516 5.846 ( 1.528 0.000 -3.140) 3.492 5.980 ( 1.040 0.000 -3.633) 3.779 6.011 ( 3.727 0.000 1.656) 4.078 6.046 ( 1.523 0.000 3.267) 3.605 6.110 ( -2.256 0.000 -3.507) 4.171 6.406 ( 9.666 0.000 7.852) 12.454 6.488 ( -0.026 0.000 11.305) 11.305 6.494 ( -4.542 0.000 -1.819) 4.893 6.627 ( 1.630 0.000 -2.954) 3.373 6.670 ( 9.475 0.000 4.469) 10.476 6.786 ( 1.173 0.000 -3.349) 3.549 6.851 ( -3.669 0.000 1.619) 4.010 6.880 ( 0.764 0.000 -5.431) 5.484 7.026 ( 0.018 0.000 -1.860) 1.860 7.058 ( 7.549 0.000 -8.361) 11.265 7.168 ( 9.770 0.000 -0.215) 9.772 7.267 ( 8.304 0.000 0.533) 8.322 7.335 ( 5.114 0.000 5.670) 7.636 7.345 ( 4.723 0.000 1.515) 4.960 7.393 ( 1.345 0.000 0.493) 1.433 7.508 ( 10.954 0.000 0.234) 10.957 7.617 ( 1.010 0.000 2.692) 2.875 7.700 ( 4.199 0.000 -0.843) 4.283 7.708 ( -0.029 0.000 3.488) 3.488 7.836 ( 6.570 0.000 3.935) 7.659 7.866 ( 7.313 0.000 0.575) 7.336 7.976 ( 5.558 0.000 -7.672) 9.474 7.989 ( -5.332 0.000 0.525) 5.358 8.020 ( 4.195 0.000 -3.747) 5.625 8.037 ( 2.420 0.000 -0.756) 2.535 8.094 ( 7.376 0.000 -1.503) 7.527 8.170 ( 4.613 0.000 2.436) 5.217 8.172 ( 4.954 0.000 -2.696) 5.641 8.278 ( -2.221 0.000 1.134) 2.494 8.349 ( -0.518 0.000 -2.084) 2.147 8.435 ( 0.953 0.000 -2.438) 2.618 8.470 ( 0.512 0.000 1.546) 1.629 8.473 ( -1.419 0.000 -4.648) 4.860 8.562 ( -5.908 0.000 2.057) 6.256 8.617 ( -1.663 0.000 -1.495) 2.237 8.617 ( 3.860 0.000 2.285) 4.486 8.646 ( -4.281 0.000 2.689) 5.056 8.796 ( -0.538 0.000 -3.456) 3.498 8.814 ( -5.049 0.000 -1.579) 5.290 8.904 ( 1.609 0.000 0.678) 1.746 8.908 ( -0.059 0.000 -0.832) 0.834 9.049 ( -3.841 0.000 -5.072) 6.363 9.055 ( -3.853 0.000 2.646) 4.674 9.151 ( -12.589 0.000 -0.762) 12.612 9.189 ( 4.122 0.000 2.668) 4.910 9.217 ( -1.338 0.000 1.595) 2.082 9.334 ( 3.266 0.000 -1.612) 3.642 9.479 ( -1.951 0.000 0.057) 1.952 9.531 ( -6.985 0.000 -2.916) 7.569 9.546 ( -4.498 0.000 -0.103) 4.499 9.562 ( 3.260 0.000 1.322) 3.517 9.580 ( -1.120 0.000 0.461) 1.211 9.743 ( -4.685 0.000 -4.584) 6.555 9.781 ( -12.013 0.000 0.949) 12.050 9.925 ( -9.356 0.000 -0.544) 9.372 9.931 ( -2.421 0.000 3.440) 4.206 10.113 ( -6.663 0.000 2.989) 7.303 10.195 ( -8.675 0.000 -0.333) 8.681 10.383 ( -2.102 0.000 4.279) 4.767 10.394 ( -5.844 0.000 -1.445) 6.020 10.488 ( -3.762 0.000 3.271) 4.986 10.611 ( -1.991 0.000 -10.217) 10.409 10.832 ( -0.842 0.000 5.451) 5.515 10.965 ( -0.614 0.000 -2.954) 3.017 10.977 ( -6.577 0.000 1.592) 6.767 11.250 ( -0.619 0.000 -1.634) 1.748 11.632 ( -8.650 0.000 3.156) 9.208 11.640 ( -5.108 0.000 -2.465) 5.672 11.796 ( 1.241 0.000 3.203) 3.435 12.078 ( 2.339 0.000 9.262) 9.553 12.593 ( 0.394 0.000 -3.914) 3.934 12.615 ( 0.876 0.000 -1.175) 1.465 12.919 ( -2.087 0.000 -4.772) 5.209 13.418 ( -5.447 0.000 0.701) 5.492 13.792 ( -0.152 0.000 -0.592) 0.611 14.017 ( 1.602 0.000 1.203) 2.003 14.177 ( -1.408 0.000 2.353) 2.742 14.451 ( 0.062 0.000 -2.567) 2.568 14.490 ( -1.025 0.000 -0.866) 1.341 14.691 ( -0.739 0.000 1.996) 2.128 14.927 ( 0.911 0.000 -0.295) 0.958 15.066 ( -1.367 0.000 0.695) 1.534 16.317 ( 1.088 0.000 -1.872) 2.165 16.336 ( 0.725 0.000 1.216) 1.415 16.782 ( 1.414 0.000 -0.305) 1.446 16.799 ( 1.027 0.000 -2.519) 2.720 17.050 ( 0.890 0.000 -0.033) 0.891 17.088 ( 0.170 0.000 -1.061) 1.075 17.187 ( 4.116 0.000 -1.292) 4.314 17.272 ( 2.025 0.000 -0.554) 2.099 17.314 ( -0.983 0.000 0.423) 1.070 17.325 ( -3.158 0.000 0.694) 3.234 17.503 ( -0.511 0.000 -1.013) 1.134 17.538 ( -2.046 0.000 0.791) 2.194 17.672 ( 1.419 0.000 -0.470) 1.495 17.672 ( 1.080 0.000 -1.745) 2.052 17.711 ( -0.438 0.000 -1.932) 1.981 17.795 ( -0.476 0.000 2.764) 2.805 17.822 ( -1.807 0.000 -0.520) 1.880 17.829 ( 0.590 0.000 -4.421) 4.460 18.012 ( 0.504 0.000 -0.404) 0.646 18.054 ( -1.268 0.000 10.021) 10.101 18.172 ( -1.139 0.000 0.032) 1.139 18.309 ( 1.325 0.000 3.189) 3.454 18.366 ( -0.181 0.000 -6.245) 6.248 18.446 ( -0.703 0.000 1.013) 1.233 18.446 ( -0.094 0.000 1.644) 1.647 18.543 ( -1.056 0.000 2.407) 2.629 18.790 ( 0.508 0.000 -0.208) 0.549 18.806 ( -0.478 0.000 0.989) 1.099 21.059 ( 19.116 0.000 1.585) 19.182 21.085 ( 19.517 0.000 2.363) 19.660 21.181 ( 18.330 0.000 5.824) 19.233 21.185 ( 17.749 0.000 -2.779) 17.965 21.204 ( 16.735 0.000 -3.294) 17.056 21.628 ( -0.956 0.000 -7.991) 8.048 21.702 ( -12.936 0.000 -2.278) 13.135 21.777 ( -10.912 0.000 1.459) 11.009 21.814 ( -4.729 0.000 -5.322) 7.120 21.829 ( -9.703 0.000 2.199) 9.949 21.849 ( -10.188 0.000 -4.737) 11.236 21.970 ( -4.516 0.000 2.571) 5.197 27.006 ( 0.361 0.000 0.333) 0.491 27.030 ( -0.205 0.000 0.087) 0.223 27.133 ( 0.395 0.000 -0.356) 0.532 27.135 ( 0.196 0.000 0.092) 0.216 27.508 ( -0.072 0.000 0.360) 0.367 27.553 ( -0.415 0.000 -0.154) 0.442 27.555 ( -0.995 0.000 -0.255) 1.028 27.592 ( -0.578 0.000 -0.302) 0.652 27.869 ( 0.135 0.000 -0.395) 0.418 27.890 ( 1.171 0.000 0.087) 1.174 27.926 ( -1.589 0.000 0.021) 1.589 27.938 ( -1.676 0.000 0.716) 1.823 36.897 ( 6.921 0.000 -3.856) 7.922 37.017 ( 3.378 0.000 -3.960) 5.205 37.029 ( -4.506 0.000 6.422) 7.845 37.258 ( -0.773 0.000 5.781) 5.833 37.261 ( 2.565 0.000 0.969) 2.742 37.331 ( 0.870 0.000 1.537) 1.766 37.501 ( 6.177 0.000 8.201) 10.267 37.637 ( 11.890 0.000 10.261) 15.705 37.680 ( 5.010 0.000 -2.394) 5.552 37.795 ( -1.301 0.000 2.792) 3.080 37.857 ( 5.314 0.000 0.070) 5.314 38.138 ( -10.584 0.000 -13.474) 17.134 38.159 ( 2.763 0.000 0.239) 2.774 38.343 ( 6.188 0.000 -0.475) 6.206 38.434 ( 4.379 0.000 0.643) 4.426 38.579 ( -6.872 0.000 12.230) 14.028 38.706 ( 12.932 0.000 -0.758) 12.954 38.717 ( 7.795 0.000 -0.747) 7.831 38.855 ( -5.756 0.000 -11.086) 12.491 39.339 ( -26.002 0.000 -3.541) 26.242 39.390 ( -10.517 0.000 4.348) 11.380 39.458 ( -17.501 0.000 3.626) 17.872 39.507 ( -18.248 0.000 -1.979) 18.355 39.794 ( -17.565 0.000 4.113) 18.040 ======================= Grid point 5 (6/96) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.230 ( 0.000 0.000 -0.000) 0.000 2.236 ( -0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 -0.000) 0.000 2.517 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.678 ( -0.000 0.000 -0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.439 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.505 ( -0.000 0.000 -0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 3.949 ( -0.000 0.000 -0.000) 0.000 4.129 ( 0.000 0.000 0.000) 0.000 4.347 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 -0.000) 0.000 4.584 ( 0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 -0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.846 ( 0.000 0.000 0.000) 0.000 4.920 ( 0.000 0.000 0.000) 0.000 5.070 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 -0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.410 ( -0.000 0.000 0.000) 0.000 5.547 ( 0.000 0.000 -0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 -0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 5.686 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.895 ( 0.000 0.000 0.000) 0.000 5.961 ( 0.000 0.000 0.000) 0.000 6.030 ( -0.000 0.000 0.000) 0.000 6.067 ( 0.000 0.000 0.000) 0.000 6.077 ( 0.000 0.000 0.000) 0.000 6.423 ( 0.000 0.000 0.000) 0.000 6.505 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 6.631 ( 0.000 0.000 -0.000) 0.000 6.763 ( -0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 6.873 ( 0.000 0.000 -0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.037 ( 0.000 0.000 0.000) 0.000 7.322 ( 0.000 0.000 0.000) 0.000 7.388 ( 0.000 0.000 0.000) 0.000 7.410 ( 0.000 0.000 -0.000) 0.000 7.415 ( -0.000 0.000 0.000) 0.000 7.417 ( 0.000 0.000 0.000) 0.000 7.582 ( 0.000 0.000 0.000) 0.000 7.616 ( 0.000 0.000 0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 7.776 ( -0.000 0.000 0.000) 0.000 7.864 ( 0.000 0.000 0.000) 0.000 7.922 ( -0.000 0.000 0.000) 0.000 7.929 ( -0.000 0.000 0.000) 0.000 8.020 ( -0.000 0.000 -0.000) 0.000 8.021 ( 0.000 0.000 0.000) 0.000 8.083 ( -0.000 0.000 0.000) 0.000 8.190 ( -0.000 0.000 0.000) 0.000 8.206 ( 0.000 0.000 -0.000) 0.000 8.221 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.334 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 -0.000) 0.000 8.417 ( 0.000 0.000 -0.000) 0.000 8.423 ( -0.000 0.000 0.000) 0.000 8.524 ( 0.000 0.000 -0.000) 0.000 8.601 ( 0.000 0.000 0.000) 0.000 8.667 ( -0.000 0.000 -0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 8.807 ( -0.000 0.000 0.000) 0.000 8.915 ( -0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 8.976 ( 0.000 0.000 0.000) 0.000 8.995 ( 0.000 0.000 -0.000) 0.000 9.018 ( 0.000 0.000 -0.000) 0.000 9.206 ( 0.000 0.000 0.000) 0.000 9.273 ( 0.000 0.000 0.000) 0.000 9.373 ( 0.000 0.000 0.000) 0.000 9.415 ( 0.000 0.000 -0.000) 0.000 9.458 ( -0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 9.587 ( -0.000 0.000 0.000) 0.000 9.596 ( 0.000 0.000 0.000) 0.000 9.631 ( 0.000 0.000 -0.000) 0.000 9.726 ( -0.000 0.000 0.000) 0.000 9.803 ( 0.000 0.000 0.000) 0.000 9.929 ( 0.000 0.000 0.000) 0.000 10.052 ( 0.000 0.000 0.000) 0.000 10.104 ( 0.000 0.000 0.000) 0.000 10.346 ( 0.000 0.000 0.000) 0.000 10.386 ( 0.000 0.000 0.000) 0.000 10.510 ( 0.000 0.000 0.000) 0.000 10.519 ( -0.000 0.000 -0.000) 0.000 10.835 ( 0.000 0.000 0.000) 0.000 10.923 ( 0.000 0.000 0.000) 0.000 10.953 ( 0.000 0.000 0.000) 0.000 11.234 ( -0.000 0.000 -0.000) 0.000 11.569 ( -0.000 0.000 0.000) 0.000 11.586 ( 0.000 0.000 -0.000) 0.000 11.822 ( 0.000 0.000 0.000) 0.000 12.139 ( 0.000 0.000 0.000) 0.000 12.577 ( 0.000 0.000 0.000) 0.000 12.624 ( 0.000 0.000 0.000) 0.000 12.869 ( 0.000 0.000 0.000) 0.000 13.368 ( 0.000 0.000 0.000) 0.000 13.788 ( 0.000 0.000 0.000) 0.000 14.049 ( 0.000 0.000 0.000) 0.000 14.174 ( 0.000 0.000 0.000) 0.000 14.436 ( 0.000 0.000 0.000) 0.000 14.478 ( 0.000 0.000 0.000) 0.000 14.692 ( 0.000 0.000 0.000) 0.000 14.939 ( 0.000 0.000 0.000) 0.000 15.053 ( 0.000 0.000 0.000) 0.000 16.319 ( 0.000 0.000 0.000) 0.000 16.348 ( 0.000 0.000 -0.000) 0.000 16.792 ( 0.000 0.000 -0.000) 0.000 16.800 ( 0.000 0.000 0.000) 0.000 17.062 ( -0.000 0.000 -0.000) 0.000 17.081 ( 0.000 0.000 0.000) 0.000 17.254 ( -0.000 0.000 0.000) 0.000 17.264 ( 0.000 0.000 0.000) 0.000 17.295 ( -0.000 0.000 0.000) 0.000 17.304 ( 0.000 0.000 -0.000) 0.000 17.495 ( 0.000 0.000 0.000) 0.000 17.515 ( 0.000 0.000 -0.000) 0.000 17.679 ( 0.000 0.000 0.000) 0.000 17.683 ( -0.000 0.000 0.000) 0.000 17.704 ( 0.000 0.000 0.000) 0.000 17.796 ( 0.000 0.000 0.000) 0.000 17.801 ( 0.000 0.000 0.000) 0.000 17.823 ( 0.000 0.000 -0.000) 0.000 18.018 ( 0.000 0.000 0.000) 0.000 18.075 ( 0.000 0.000 0.000) 0.000 18.168 ( 0.000 0.000 0.000) 0.000 18.334 ( 0.000 0.000 0.000) 0.000 18.336 ( 0.000 0.000 -0.000) 0.000 18.444 ( 0.000 0.000 0.000) 0.000 18.450 ( 0.000 0.000 0.000) 0.000 18.543 ( 0.000 0.000 0.000) 0.000 18.793 ( 0.000 0.000 0.000) 0.000 18.806 ( 0.000 0.000 -0.000) 0.000 21.322 ( 0.000 0.000 0.000) 0.000 21.374 ( 0.000 0.000 0.000) 0.000 21.381 ( 0.000 0.000 0.000) 0.000 21.396 ( 0.000 0.000 0.000) 0.000 21.448 ( -0.000 0.000 0.000) 0.000 21.456 ( -0.000 0.000 -0.000) 0.000 21.468 ( 0.000 0.000 0.000) 0.000 21.643 ( -0.000 0.000 0.000) 0.000 21.659 ( 0.000 0.000 -0.000) 0.000 21.728 ( 0.000 0.000 0.000) 0.000 21.770 ( 0.000 0.000 0.000) 0.000 21.936 ( 0.000 0.000 -0.000) 0.000 27.011 ( -0.000 0.000 -0.000) 0.000 27.028 ( 0.000 0.000 0.000) 0.000 27.135 ( 0.000 0.000 0.000) 0.000 27.138 ( 0.000 0.000 0.000) 0.000 27.509 ( 0.000 0.000 0.000) 0.000 27.545 ( 0.000 0.000 0.000) 0.000 27.549 ( 0.000 0.000 0.000) 0.000 27.585 ( 0.000 0.000 0.000) 0.000 27.870 ( 0.000 0.000 0.000) 0.000 27.904 ( -0.000 0.000 0.000) 0.000 27.910 ( 0.000 0.000 0.000) 0.000 27.922 ( 0.000 0.000 0.000) 0.000 36.968 ( -0.000 0.000 0.000) 0.000 36.991 ( 0.000 0.000 -0.000) 0.000 37.033 ( 0.000 0.000 0.000) 0.000 37.270 ( 0.000 0.000 0.000) 0.000 37.286 ( 0.000 0.000 0.000) 0.000 37.344 ( 0.000 0.000 0.000) 0.000 37.639 ( 0.000 0.000 -0.000) 0.000 37.712 ( 0.000 0.000 0.000) 0.000 37.791 ( 0.000 0.000 0.000) 0.000 37.826 ( 0.000 0.000 0.000) 0.000 37.903 ( 0.000 0.000 0.000) 0.000 37.940 ( 0.000 0.000 -0.000) 0.000 38.153 ( -0.000 0.000 -0.000) 0.000 38.413 ( 0.000 0.000 0.000) 0.000 38.552 ( 0.000 0.000 0.000) 0.000 38.567 ( 0.000 0.000 0.000) 0.000 38.712 ( 0.000 0.000 0.000) 0.000 38.794 ( 0.000 0.000 0.000) 0.000 38.943 ( 0.000 0.000 0.000) 0.000 38.968 ( -0.000 0.000 -0.000) 0.000 39.300 ( -0.000 0.000 -0.000) 0.000 39.304 ( 0.000 0.000 0.000) 0.000 39.314 ( 0.000 0.000 0.000) 0.000 39.640 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/96) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 0.000 29.875 0.000) 29.875 0.602 ( 0.000 33.525 0.000) 33.525 1.068 ( 0.000 56.344 0.000) 56.344 1.521 ( 0.000 -17.662 0.000) 17.662 1.697 ( 0.000 -25.513 0.000) 25.513 2.214 ( 0.000 3.059 0.000) 3.059 2.261 ( 0.000 4.757 0.000) 4.757 2.524 ( 0.000 6.996 0.000) 6.996 2.646 ( 0.000 6.775 0.000) 6.775 2.883 ( 0.000 -1.993 0.000) 1.993 2.890 ( 0.000 10.603 0.000) 10.603 3.054 ( 0.000 12.489 0.000) 12.489 3.081 ( 0.000 13.833 0.000) 13.833 3.089 ( 0.000 -26.750 0.000) 26.750 3.350 ( 0.000 -6.403 0.000) 6.403 3.465 ( 0.000 -2.793 0.000) 2.793 3.540 ( 0.000 -2.883 0.000) 2.883 3.694 ( 0.000 -4.484 0.000) 4.484 3.767 ( 0.000 -7.941 0.000) 7.941 3.829 ( 0.000 -8.351 0.000) 8.351 3.907 ( 0.000 1.822 0.000) 1.822 3.957 ( 0.000 -3.785 0.000) 3.785 4.013 ( 0.000 4.308 0.000) 4.308 4.102 ( 0.000 -0.217 0.000) 0.217 4.154 ( 0.000 4.278 0.000) 4.278 4.241 ( 0.000 2.195 0.000) 2.195 4.392 ( 0.000 -6.476 0.000) 6.476 4.435 ( 0.000 -3.835 0.000) 3.835 4.541 ( 0.000 -1.398 0.000) 1.398 4.580 ( 0.000 -4.934 0.000) 4.934 4.676 ( 0.000 2.033 0.000) 2.033 4.738 ( 0.000 1.336 0.000) 1.336 4.837 ( 0.000 2.653 0.000) 2.653 4.887 ( 0.000 1.290 0.000) 1.290 4.949 ( 0.000 2.279 0.000) 2.279 5.058 ( 0.000 1.876 0.000) 1.876 5.258 ( 0.000 -0.283 0.000) 0.283 5.284 ( 0.000 2.089 0.000) 2.089 5.597 ( 0.000 3.521 0.000) 3.521 5.597 ( 0.000 0.790 0.000) 0.790 5.684 ( 0.000 -3.204 0.000) 3.204 5.718 ( 0.000 4.816 0.000) 4.816 5.779 ( 0.000 7.346 0.000) 7.346 5.804 ( 0.000 -5.762 0.000) 5.762 5.880 ( 0.000 -2.684 0.000) 2.684 6.003 ( 0.000 -4.736 0.000) 4.736 6.130 ( 0.000 -4.966 0.000) 4.966 6.157 ( 0.000 -7.551 0.000) 7.551 6.212 ( 0.000 7.893 0.000) 7.893 6.298 ( 0.000 4.252 0.000) 4.252 6.397 ( 0.000 0.907 0.000) 0.907 6.429 ( 0.000 9.313 0.000) 9.313 6.618 ( 0.000 11.341 0.000) 11.341 6.618 ( 0.000 -1.985 0.000) 1.985 6.875 ( 0.000 8.536 0.000) 8.536 6.970 ( 0.000 -9.451 0.000) 9.451 7.005 ( 0.000 -0.441 0.000) 0.441 7.013 ( 0.000 -2.013 0.000) 2.013 7.075 ( 0.000 -15.261 0.000) 15.261 7.249 ( 0.000 -9.092 0.000) 9.092 7.273 ( 0.000 -1.723 0.000) 1.723 7.396 ( 0.000 -8.203 0.000) 8.203 7.396 ( 0.000 -3.078 0.000) 3.078 7.428 ( 0.000 -1.405 0.000) 1.405 7.516 ( 0.000 -2.299 0.000) 2.299 7.558 ( 0.000 2.003 0.000) 2.003 7.571 ( 0.000 2.552 0.000) 2.552 7.704 ( 0.000 -5.559 0.000) 5.559 7.717 ( 0.000 5.639 0.000) 5.639 7.780 ( 0.000 5.198 0.000) 5.198 7.830 ( 0.000 4.565 0.000) 4.565 7.934 ( 0.000 7.130 0.000) 7.130 7.982 ( 0.000 -5.826 0.000) 5.826 8.095 ( 0.000 6.666 0.000) 6.666 8.111 ( 0.000 -1.687 0.000) 1.687 8.267 ( 0.000 -6.985 0.000) 6.985 8.298 ( 0.000 1.991 0.000) 1.991 8.493 ( 0.000 -3.817 0.000) 3.817 8.558 ( 0.000 5.146 0.000) 5.146 8.618 ( 0.000 1.352 0.000) 1.352 8.725 ( 0.000 6.421 0.000) 6.421 8.747 ( 0.000 1.008 0.000) 1.008 8.836 ( 0.000 3.916 0.000) 3.916 8.922 ( 0.000 -4.945 0.000) 4.945 8.972 ( 0.000 -1.160 0.000) 1.160 8.985 ( 0.000 -0.229 0.000) 0.229 9.038 ( 0.000 0.295 0.000) 0.295 9.087 ( 0.000 -4.005 0.000) 4.005 9.252 ( 0.000 2.170 0.000) 2.170 9.374 ( 0.000 -2.578 0.000) 2.578 9.448 ( 0.000 4.247 0.000) 4.247 9.493 ( 0.000 0.294 0.000) 0.294 9.506 ( 0.000 3.881 0.000) 3.881 9.640 ( 0.000 -3.546 0.000) 3.546 9.677 ( 0.000 -3.758 0.000) 3.758 9.745 ( 0.000 -5.027 0.000) 5.027 9.931 ( 0.000 4.038 0.000) 4.038 9.949 ( 0.000 2.957 0.000) 2.957 9.952 ( 0.000 0.716 0.000) 0.716 10.028 ( 0.000 2.040 0.000) 2.040 10.143 ( 0.000 2.798 0.000) 2.798 10.177 ( 0.000 -0.988 0.000) 0.988 10.297 ( 0.000 -0.252 0.000) 0.252 10.412 ( 0.000 -2.025 0.000) 2.025 10.592 ( 0.000 9.082 0.000) 9.082 10.779 ( 0.000 2.525 0.000) 2.525 10.912 ( 0.000 -1.760 0.000) 1.760 11.040 ( 0.000 -11.824 0.000) 11.824 11.224 ( 0.000 0.642 0.000) 0.642 11.302 ( 0.000 -3.859 0.000) 3.859 11.423 ( 0.000 0.935 0.000) 0.935 11.508 ( 0.000 -1.647 0.000) 1.647 11.607 ( 0.000 12.893 0.000) 12.893 12.048 ( 0.000 -0.852 0.000) 0.852 12.078 ( 0.000 -8.073 0.000) 8.073 12.084 ( 0.000 -1.032 0.000) 1.032 12.419 ( 0.000 2.944 0.000) 2.944 12.517 ( 0.000 -1.761 0.000) 1.761 12.623 ( 0.000 3.259 0.000) 3.259 12.783 ( 0.000 -3.601 0.000) 3.601 14.351 ( 0.000 -2.654 0.000) 2.654 14.422 ( 0.000 -4.608 0.000) 4.608 14.588 ( 0.000 0.592 0.000) 0.592 14.633 ( 0.000 -0.605 0.000) 0.605 14.799 ( 0.000 11.630 0.000) 11.630 14.922 ( 0.000 2.204 0.000) 2.204 15.000 ( 0.000 -1.220 0.000) 1.220 15.132 ( 0.000 -5.126 0.000) 5.126 16.217 ( 0.000 1.747 0.000) 1.747 16.295 ( 0.000 -1.709 0.000) 1.709 16.720 ( 0.000 4.934 0.000) 4.934 16.968 ( 0.000 -5.129 0.000) 5.129 17.045 ( 0.000 -0.172 0.000) 0.172 17.052 ( 0.000 0.334 0.000) 0.334 17.223 ( 0.000 0.204 0.000) 0.204 17.310 ( 0.000 -2.152 0.000) 2.152 17.353 ( 0.000 1.001 0.000) 1.001 17.378 ( 0.000 2.000 0.000) 2.000 17.469 ( 0.000 -1.044 0.000) 1.044 17.473 ( 0.000 -2.918 0.000) 2.918 17.699 ( 0.000 -1.153 0.000) 1.153 17.765 ( 0.000 -2.429 0.000) 2.429 17.819 ( 0.000 3.242 0.000) 3.242 17.844 ( 0.000 0.956 0.000) 0.956 17.950 ( 0.000 2.685 0.000) 2.685 18.007 ( 0.000 2.484 0.000) 2.484 18.011 ( 0.000 -0.843 0.000) 0.843 18.037 ( 0.000 0.645 0.000) 0.645 18.107 ( 0.000 4.092 0.000) 4.092 18.248 ( 0.000 -2.253 0.000) 2.253 18.290 ( 0.000 4.015 0.000) 4.015 18.486 ( 0.000 0.339 0.000) 0.339 18.516 ( 0.000 -0.927 0.000) 0.927 18.554 ( 0.000 -6.994 0.000) 6.994 18.756 ( 0.000 1.322 0.000) 1.322 18.820 ( 0.000 -1.358 0.000) 1.358 20.067 ( 0.000 0.232 0.000) 0.232 20.079 ( 0.000 -0.088 0.000) 0.088 20.081 ( 0.000 -0.299 0.000) 0.299 20.085 ( 0.000 -0.180 0.000) 0.180 20.095 ( 0.000 0.249 0.000) 0.249 20.097 ( 0.000 0.095 0.000) 0.095 22.124 ( 0.000 0.324 0.000) 0.324 22.144 ( 0.000 -0.684 0.000) 0.684 22.169 ( 0.000 0.565 0.000) 0.565 22.183 ( 0.000 -0.160 0.000) 0.160 22.184 ( 0.000 -0.014 0.000) 0.014 22.186 ( 0.000 -0.063 0.000) 0.063 26.985 ( 0.000 0.508 0.000) 0.508 27.008 ( 0.000 -0.489 0.000) 0.489 27.110 ( 0.000 0.035 0.000) 0.035 27.115 ( 0.000 -0.196 0.000) 0.196 27.538 ( 0.000 1.098 0.000) 1.098 27.596 ( 0.000 -1.654 0.000) 1.654 27.649 ( 0.000 0.367 0.000) 0.367 27.651 ( 0.000 0.064 0.000) 0.064 27.828 ( 0.000 1.337 0.000) 1.337 27.885 ( 0.000 -1.183 0.000) 1.183 28.034 ( 0.000 0.422 0.000) 0.422 28.052 ( 0.000 -0.340 0.000) 0.340 36.711 ( 0.000 1.897 0.000) 1.897 36.836 ( 0.000 -4.722 0.000) 4.722 36.959 ( 0.000 0.557 0.000) 0.557 36.966 ( 0.000 0.950 0.000) 0.950 37.053 ( 0.000 2.464 0.000) 2.464 37.070 ( 0.000 0.536 0.000) 0.536 37.130 ( 0.000 -0.395 0.000) 0.395 37.166 ( 0.000 -1.286 0.000) 1.286 37.381 ( 0.000 0.787 0.000) 0.787 37.473 ( 0.000 -4.431 0.000) 4.431 37.840 ( 0.000 1.558 0.000) 1.558 37.921 ( 0.000 -1.539 0.000) 1.539 38.091 ( 0.000 2.104 0.000) 2.104 38.251 ( 0.000 -5.298 0.000) 5.298 38.369 ( 0.000 19.343 0.000) 19.343 38.671 ( 0.000 10.917 0.000) 10.917 39.199 ( 0.000 -16.635 0.000) 16.635 39.296 ( 0.000 -28.573 0.000) 28.573 40.062 ( 0.000 16.799 0.000) 16.799 40.184 ( 0.000 17.084 0.000) 17.084 40.749 ( 0.000 -5.469 0.000) 5.469 40.866 ( 0.000 -8.284 0.000) 8.284 41.146 ( 0.000 3.642 0.000) 3.642 41.247 ( 0.000 -1.841 0.000) 1.841 ======================= Grid point 12 (8/96) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 17.642 13.890 6.699) 23.432 0.819 ( 15.178 23.006 17.087) 32.429 1.447 ( 14.658 3.223 4.803) 15.758 1.548 ( 18.735 16.825 2.795) 25.336 1.759 ( 4.438 -21.198 6.783) 22.695 2.165 ( 2.831 3.608 -6.347) 7.830 2.373 ( 4.122 0.364 0.368) 4.154 2.529 ( 1.359 6.140 -1.716) 6.518 2.702 ( -1.922 10.805 9.754) 14.683 2.764 ( -8.268 2.987 -3.571) 9.489 2.893 ( 0.873 10.067 -4.811) 11.192 3.061 ( 0.201 4.899 -5.808) 7.601 3.073 ( 0.332 8.255 6.216) 10.339 3.162 ( 3.687 -18.896 3.636) 19.593 3.363 ( -3.613 -5.770 -1.385) 6.948 3.419 ( -8.889 -3.335 1.660) 9.638 3.551 ( -0.616 -7.477 11.893) 14.061 3.594 ( -9.141 -5.241 -2.319) 10.789 3.738 ( -1.552 -6.555 -1.775) 6.966 3.794 ( -2.340 -6.323 2.901) 7.339 3.911 ( 0.525 1.003 -2.783) 3.004 3.983 ( 6.046 -5.262 -4.354) 9.121 4.089 ( 2.231 -1.515 2.680) 3.802 4.139 ( 0.837 -1.556 1.272) 2.177 4.203 ( 6.938 6.427 -2.305) 9.734 4.357 ( 8.798 1.609 -3.660) 9.664 4.412 ( 1.589 -4.527 -0.656) 4.843 4.461 ( 7.567 -2.902 -1.613) 8.263 4.593 ( 5.271 -2.792 1.473) 6.144 4.627 ( 6.097 -4.155 -2.404) 7.760 4.724 ( 2.986 2.369 -2.931) 4.808 4.794 ( 5.531 0.384 -0.019) 5.544 4.842 ( 1.950 1.731 -3.268) 4.181 4.898 ( 1.453 -1.211 2.561) 3.184 5.020 ( 6.110 3.207 3.036) 7.539 5.136 ( 6.051 3.698 0.229) 7.095 5.287 ( 3.255 0.193 0.013) 3.260 5.364 ( 6.985 -2.543 1.816) 7.652 5.556 ( -0.325 0.829 -2.573) 2.723 5.629 ( 1.783 -3.132 4.136) 5.486 5.730 ( 5.595 0.998 -1.980) 6.019 5.752 ( -0.172 3.968 -3.393) 5.224 5.804 ( 7.470 4.367 0.042) 8.653 5.837 ( 2.329 0.393 3.413) 4.150 5.949 ( 2.342 -0.395 -5.935) 6.393 6.078 ( 4.263 -0.740 3.747) 5.723 6.149 ( 5.133 -5.351 -0.849) 7.463 6.162 ( 0.425 5.907 -3.481) 6.870 6.231 ( 6.899 -5.242 -1.499) 8.793 6.347 ( 0.823 3.969 -3.244) 5.192 6.397 ( 7.472 -1.947 0.773) 7.760 6.457 ( 2.419 5.735 1.425) 6.385 6.559 ( -1.960 -1.868 -1.912) 3.314 6.685 ( 6.651 6.910 0.064) 9.591 6.888 ( -2.188 -0.935 -3.386) 4.138 6.946 ( 3.264 -3.966 -2.905) 5.901 7.007 ( -0.854 -3.893 1.371) 4.215 7.084 ( 2.638 -1.075 4.503) 5.329 7.091 ( 2.458 0.139 2.387) 3.429 7.227 ( -0.889 -4.683 -5.283) 7.116 7.249 ( -1.189 -6.793 -4.052) 7.999 7.349 ( 2.128 -0.718 4.562) 5.085 7.398 ( -2.374 -0.549 -7.231) 7.630 7.449 ( -0.982 2.343 -8.092) 8.481 7.476 ( 5.196 -6.283 0.940) 8.207 7.558 ( 1.841 0.502 -3.572) 4.050 7.630 ( 0.593 -1.877 12.110) 12.269 7.671 ( 0.031 -0.606 -4.263) 4.306 7.745 ( 3.062 1.785 1.099) 3.711 7.839 ( 0.080 3.741 7.061) 7.991 7.846 ( 0.684 2.688 0.691) 2.858 7.937 ( 3.424 -6.417 1.725) 7.475 8.048 ( 2.048 7.374 0.694) 7.684 8.065 ( 4.451 2.349 -5.451) 7.419 8.226 ( 4.218 -7.326 -1.126) 8.528 8.271 ( 1.459 -4.812 -2.791) 5.751 8.330 ( 3.223 -1.060 -2.888) 4.455 8.482 ( -1.241 4.763 -4.179) 6.457 8.510 ( 1.127 4.337 2.251) 5.014 8.634 ( -1.154 0.280 1.671) 2.050 8.713 ( -1.643 1.812 -3.549) 4.310 8.775 ( 1.535 1.400 4.524) 4.978 8.827 ( -0.734 3.917 -0.798) 4.064 8.891 ( -4.166 3.525 0.817) 5.519 8.931 ( 1.603 -4.461 -0.739) 4.798 9.035 ( 1.241 -6.375 -0.596) 6.522 9.045 ( 1.050 -0.386 -0.604) 1.271 9.062 ( -1.030 -2.436 -3.003) 4.002 9.258 ( -2.283 1.087 1.335) 2.859 9.333 ( -0.599 -0.714 -3.235) 3.367 9.392 ( -2.124 2.885 -5.309) 6.405 9.456 ( -1.866 4.732 0.105) 5.087 9.561 ( -5.086 -2.215 -2.848) 6.236 9.589 ( -2.496 2.834 6.577) 7.584 9.680 ( -1.420 -2.680 2.157) 3.721 9.749 ( -1.475 -5.373 1.119) 5.683 9.831 ( -5.484 7.034 -6.741) 11.180 9.928 ( -0.064 0.184 -0.418) 0.461 9.950 ( -2.397 0.442 -2.853) 3.752 10.029 ( -1.820 -0.571 5.469) 5.792 10.107 ( -4.267 1.995 3.236) 5.715 10.201 ( 1.914 5.473 -0.344) 5.808 10.323 ( 2.501 -2.140 -4.251) 5.377 10.433 ( -1.174 -4.605 4.248) 6.374 10.564 ( -3.454 6.074 4.536) 8.331 10.724 ( -4.115 1.948 -1.760) 4.881 10.831 ( -11.335 -5.617 8.328) 15.146 10.967 ( -8.370 -9.136 1.275) 12.456 11.184 ( -5.308 1.757 1.452) 5.776 11.277 ( -6.847 -0.650 3.966) 7.939 11.413 ( -3.471 -0.134 3.696) 5.072 11.469 ( -4.767 -1.136 0.936) 4.989 11.638 ( 2.239 7.710 2.155) 8.313 11.863 ( -8.170 -1.652 0.769) 8.371 11.906 ( -7.039 8.323 -1.976) 11.078 12.283 ( 1.056 -11.252 0.609) 11.318 12.519 ( 3.405 1.820 0.796) 3.942 12.607 ( 6.047 4.372 1.385) 7.589 12.728 ( 1.802 -7.113 -0.443) 7.351 12.889 ( 17.182 -17.829 7.406) 25.845 14.305 ( -3.902 -2.190 -2.099) 4.942 14.377 ( -4.675 -3.893 -1.756) 6.332 14.544 ( -12.479 6.191 0.957) 13.963 14.609 ( -12.404 8.906 -6.673) 16.665 14.662 ( -7.804 8.916 0.446) 11.858 14.687 ( -9.308 6.628 1.267) 11.497 14.955 ( 0.745 2.433 1.788) 3.110 15.042 ( 0.899 -1.096 -2.552) 2.919 16.230 ( 0.943 1.298 1.005) 1.893 16.298 ( 1.206 -1.542 -2.170) 2.922 16.738 ( 0.810 4.283 1.643) 4.658 16.848 ( -4.582 3.454 -4.257) 7.145 17.033 ( 1.274 2.120 -2.387) 3.437 17.053 ( -0.665 0.363 1.689) 1.851 17.223 ( 0.520 0.316 -2.423) 2.498 17.267 ( -0.262 0.604 -8.663) 8.688 17.336 ( -1.667 -0.656 1.994) 2.680 17.357 ( -0.474 1.809 1.757) 2.566 17.446 ( 0.493 -3.546 -1.319) 3.815 17.512 ( -0.123 -2.153 5.340) 5.759 17.665 ( -1.405 1.709 -3.501) 4.141 17.701 ( -1.966 -0.702 -0.371) 2.121 17.831 ( -0.633 3.397 2.458) 4.241 17.842 ( 0.150 1.284 1.793) 2.210 17.933 ( 0.180 2.750 -2.290) 3.583 17.952 ( -2.211 0.460 -3.592) 4.243 17.989 ( -2.006 1.386 -5.117) 5.668 18.046 ( -1.027 1.576 6.880) 7.132 18.109 ( -0.451 1.702 4.063) 4.428 18.246 ( -1.625 -0.443 3.667) 4.035 18.307 ( 1.927 1.382 2.362) 3.347 18.463 ( 0.323 0.560 -4.308) 4.356 18.511 ( -0.916 -1.285 0.307) 1.607 18.536 ( -3.659 -5.863 5.138) 8.612 18.759 ( 0.472 1.079 0.134) 1.186 18.818 ( -0.644 -1.349 0.497) 1.575 20.164 ( 9.375 0.045 0.056) 9.376 20.169 ( 10.051 -0.115 0.033) 10.052 20.179 ( 9.294 0.205 0.689) 9.321 20.196 ( 10.924 -0.867 0.008) 10.958 20.278 ( 20.109 5.019 -1.330) 20.768 20.885 ( 51.568 -41.316 -20.003) 69.039 22.104 ( -2.593 0.340 0.761) 2.724 22.127 ( -2.316 -0.818 0.557) 2.519 22.143 ( -3.056 0.591 0.339) 3.131 22.154 ( -2.886 -0.202 0.658) 2.967 22.167 ( -1.565 0.164 -1.190) 1.973 22.180 ( -0.686 -0.275 -1.753) 1.902 26.987 ( 0.250 0.563 -0.148) 0.633 27.012 ( 0.165 -0.545 0.576) 0.810 27.112 ( 0.253 0.013 0.003) 0.253 27.116 ( 0.279 -0.204 -0.140) 0.373 27.534 ( -0.584 1.033 0.271) 1.217 27.591 ( -0.518 -1.647 -0.105) 1.730 27.638 ( -1.054 0.407 0.038) 1.131 27.641 ( -1.060 0.127 -0.038) 1.068 27.833 ( 0.504 1.322 0.186) 1.427 27.883 ( -0.182 -1.034 -0.178) 1.065 28.021 ( -1.464 0.235 0.333) 1.519 28.037 ( -1.719 -0.361 0.329) 1.787 36.705 ( 1.824 3.809 -3.199) 5.298 36.853 ( 2.831 -4.835 -2.380) 6.087 36.970 ( 2.316 1.008 -0.324) 2.547 36.996 ( 1.029 -0.672 3.273) 3.496 37.080 ( 1.591 2.787 2.768) 4.238 37.092 ( 1.370 1.534 3.247) 3.844 37.166 ( 0.538 -1.482 6.082) 6.283 37.213 ( 0.842 -2.142 9.475) 9.751 37.405 ( 3.580 0.569 -2.001) 4.141 37.495 ( 2.757 -4.696 -0.655) 5.484 37.846 ( -0.633 2.837 3.660) 4.674 37.951 ( 1.290 -2.277 4.316) 5.047 38.130 ( 4.241 1.775 0.353) 4.611 38.268 ( 2.420 -3.171 -2.185) 4.548 38.348 ( -0.871 16.713 -1.997) 16.855 38.643 ( -1.286 10.486 -4.131) 11.343 39.078 ( -6.769 -15.475 -13.397) 21.559 39.269 ( -4.360 -24.980 0.543) 25.364 39.847 ( -70.773 58.697 22.745) 94.718 40.036 ( -15.874 24.549 2.402) 29.333 40.137 ( -7.525 14.761 4.483) 17.164 40.702 ( -13.347 -5.647 -1.218) 14.544 40.788 ( -16.208 -5.582 5.678) 18.058 40.887 ( -25.996 -3.435 -1.886) 26.290 ======================= Grid point 13 (9/96) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 22.138 0.612 14.638) 26.547 1.261 ( 18.526 12.509 18.400) 28.953 1.570 ( 10.985 -19.050 0.935) 22.010 1.925 ( 8.682 -14.928 8.168) 19.103 2.099 ( 20.256 16.370 2.922) 26.207 2.205 ( 4.912 4.547 -2.679) 7.210 2.443 ( 4.459 8.334 3.661) 10.136 2.546 ( 4.278 3.697 -4.934) 7.504 2.609 ( -3.809 11.158 3.893) 12.417 2.763 ( 1.737 8.677 1.110) 8.918 2.844 ( -1.643 5.733 -5.983) 8.448 2.986 ( -4.541 -0.568 -3.496) 5.759 3.115 ( -1.519 5.864 4.739) 7.691 3.143 ( -6.483 -7.821 0.282) 10.163 3.255 ( -2.349 -2.338 -4.706) 5.756 3.335 ( -7.071 3.654 3.440) 8.670 3.503 ( -2.620 -3.166 1.991) 4.566 3.578 ( 0.625 -3.232 8.059) 8.706 3.715 ( -0.665 -3.141 -0.715) 3.289 3.808 ( 2.228 -12.887 2.648) 13.343 3.880 ( -1.119 -1.074 -3.468) 3.799 4.019 ( 1.419 -3.827 -5.262) 6.659 4.104 ( -5.365 -0.376 1.138) 5.498 4.158 ( 4.556 -6.183 1.215) 7.776 4.270 ( 3.356 5.001 -4.080) 7.274 4.406 ( 2.188 -2.499 -1.487) 3.639 4.522 ( 8.197 1.457 1.556) 8.469 4.607 ( 2.195 1.756 -6.679) 7.246 4.669 ( 5.410 -4.053 -5.570) 8.759 4.717 ( 7.728 -1.587 -1.788) 8.090 4.742 ( 3.673 2.819 -3.008) 5.522 4.850 ( 3.718 -0.437 -2.681) 4.605 4.938 ( 10.194 -0.777 1.377) 10.316 5.000 ( 6.728 -3.984 1.714) 8.005 5.165 ( 5.995 4.493 5.659) 9.389 5.245 ( 6.321 5.543 1.402) 8.523 5.377 ( 5.678 -0.932 -1.550) 5.959 5.491 ( 6.220 -1.843 1.064) 6.574 5.587 ( 2.930 0.392 3.175) 4.338 5.721 ( 4.472 -1.577 3.647) 5.982 5.730 ( 3.416 2.896 -1.041) 4.598 5.827 ( 6.393 0.170 -5.594) 8.497 5.883 ( 1.528 2.270 -5.788) 6.403 5.944 ( 1.005 1.023 4.913) 5.118 5.981 ( 5.360 1.555 2.994) 6.333 6.095 ( 3.082 8.545 1.226) 9.166 6.145 ( 3.143 -1.178 -5.618) 6.545 6.256 ( 3.234 4.394 -4.402) 7.010 6.335 ( 8.108 -1.184 -0.615) 8.217 6.438 ( 5.902 -1.419 -1.628) 6.284 6.483 ( 6.061 -3.487 -1.187) 7.093 6.553 ( 4.198 -6.753 1.472) 8.087 6.622 ( 10.825 -2.568 2.272) 11.355 6.839 ( 5.202 1.636 -1.339) 5.615 6.876 ( 4.621 -0.614 2.890) 5.484 6.951 ( -3.134 4.606 2.972) 6.314 7.006 ( 7.509 -4.220 -4.925) 9.923 7.114 ( -0.074 0.961 0.276) 1.003 7.152 ( -0.292 -4.722 -3.260) 5.745 7.216 ( 3.785 -3.806 -8.173) 9.778 7.264 ( 3.721 -6.597 1.219) 7.672 7.330 ( 1.804 1.955 0.186) 2.667 7.384 ( 1.154 1.217 -2.165) 2.738 7.461 ( 4.368 1.283 3.940) 6.021 7.576 ( 3.813 0.292 -0.110) 3.826 7.595 ( 4.564 -2.500 -0.942) 5.289 7.646 ( 3.444 -4.341 -0.764) 5.594 7.753 ( 3.443 -2.802 8.463) 9.556 7.838 ( 1.312 -0.767 1.659) 2.250 7.852 ( 3.679 2.974 4.279) 6.379 7.889 ( 0.462 0.418 5.523) 5.558 8.016 ( 2.865 -0.194 -1.029) 3.050 8.078 ( 4.905 2.928 -4.536) 7.294 8.139 ( 4.026 0.071 -3.535) 5.358 8.255 ( 1.971 -5.515 -0.884) 5.923 8.281 ( 2.553 2.312 -7.293) 8.065 8.329 ( 3.397 -2.523 -4.057) 5.862 8.466 ( 0.142 3.037 0.680) 3.116 8.539 ( 1.065 1.038 -4.730) 4.958 8.641 ( -1.157 0.855 1.281) 1.926 8.657 ( -1.720 4.701 2.859) 5.765 8.766 ( 0.197 -0.357 -6.449) 6.462 8.815 ( -1.149 4.378 -1.867) 4.897 8.844 ( -3.242 -0.085 1.912) 3.765 8.966 ( 1.348 -5.302 0.850) 5.536 9.002 ( -1.617 0.241 -2.918) 3.344 9.062 ( 0.667 0.353 -0.029) 0.755 9.076 ( 1.706 -2.706 3.884) 5.032 9.161 ( -6.946 3.730 -3.343) 8.563 9.293 ( -2.183 1.059 -4.916) 5.482 9.333 ( -1.306 -1.188 -1.627) 2.401 9.391 ( -7.526 -2.154 -1.567) 7.984 9.424 ( -4.796 7.461 1.016) 8.928 9.559 ( -4.768 4.039 3.001) 6.932 9.629 ( -4.505 -0.066 -2.653) 5.228 9.686 ( -6.422 -5.430 1.317) 8.512 9.711 ( -3.651 3.026 -1.708) 5.040 9.854 ( -5.621 0.302 -2.564) 6.185 9.939 ( 0.738 0.179 0.044) 0.761 10.027 ( -3.902 -1.843 4.117) 5.964 10.046 ( -4.111 2.306 1.978) 5.112 10.180 ( -5.480 7.486 1.152) 9.349 10.268 ( -5.259 -6.598 -2.535) 8.810 10.430 ( -1.766 -3.884 3.156) 5.307 10.543 ( -6.171 2.141 3.351) 7.342 10.629 ( -5.836 0.523 -0.142) 5.861 10.713 ( -6.317 -2.400 6.707) 9.521 10.800 ( -9.745 -5.725 0.644) 11.321 11.077 ( -8.335 1.492 4.292) 9.493 11.107 ( -13.616 3.724 1.399) 14.185 11.316 ( -9.842 1.801 3.307) 10.538 11.382 ( -3.759 -0.139 -3.938) 5.446 11.683 ( -0.049 2.329 0.188) 2.337 11.798 ( -3.995 2.564 7.260) 8.674 11.841 ( 0.000 0.747 4.166) 4.233 12.122 ( -12.712 -8.905 -5.115) 16.341 12.571 ( 2.504 1.966 -2.297) 3.926 12.699 ( -0.153 -2.874 -6.106) 6.750 12.809 ( 10.566 4.327 5.511) 12.678 13.190 ( 8.732 -21.407 6.746) 24.083 14.157 ( -14.052 16.860 -2.504) 22.091 14.200 ( -7.870 -1.736 -0.706) 8.090 14.269 ( -8.802 -0.729 -0.025) 8.832 14.440 ( -4.747 -0.893 -5.943) 7.658 14.615 ( -1.132 3.900 0.884) 4.156 14.673 ( -0.103 0.261 3.256) 3.269 14.962 ( -0.641 2.336 0.154) 2.427 15.052 ( 0.438 -1.543 0.825) 1.804 16.261 ( 1.763 0.614 0.734) 2.006 16.304 ( 1.738 -1.081 -3.033) 3.659 16.759 ( 0.913 3.857 0.099) 3.965 16.802 ( 0.978 1.396 -2.858) 3.327 17.037 ( 1.558 1.167 -3.272) 3.807 17.063 ( 0.335 0.246 1.473) 1.530 17.183 ( 0.514 1.939 -6.898) 7.184 17.247 ( 1.613 1.198 -2.586) 3.275 17.324 ( -1.025 -2.195 0.496) 2.473 17.366 ( -0.007 1.117 1.511) 1.879 17.465 ( 1.452 -3.634 1.068) 4.057 17.543 ( -0.270 -2.213 3.518) 4.165 17.628 ( -0.393 0.751 -2.632) 2.765 17.672 ( -0.945 -1.714 -0.851) 2.134 17.821 ( -0.777 3.319 -0.549) 3.453 17.859 ( -2.607 0.470 -1.207) 2.911 17.882 ( -0.112 -0.310 -2.342) 2.365 17.907 ( -1.818 -0.900 -2.884) 3.526 17.950 ( 0.490 5.897 1.793) 6.183 18.061 ( -2.562 3.576 5.972) 7.417 18.148 ( 0.167 -2.067 5.911) 6.264 18.245 ( -1.564 -0.192 3.442) 3.786 18.358 ( 1.402 -0.639 2.242) 2.720 18.436 ( 1.642 -0.615 -7.202) 7.412 18.485 ( -2.597 -1.304 2.219) 3.657 18.525 ( -2.426 -2.790 6.026) 7.069 18.772 ( 0.720 0.864 0.303) 1.165 18.810 ( -0.763 -0.759 1.060) 1.511 20.396 ( 15.863 0.462 0.271) 15.872 20.399 ( 16.349 0.520 0.989) 16.387 20.433 ( 17.392 -0.634 2.076) 17.527 20.453 ( 17.854 -2.673 -0.446) 18.059 20.666 ( 24.374 10.703 -4.163) 26.944 21.339 ( 24.279 -24.566 -23.191) 41.602 22.044 ( -5.289 0.357 1.276) 5.452 22.063 ( -5.160 0.243 -1.154) 5.293 22.074 ( -5.609 0.140 2.150) 6.009 22.093 ( -5.003 -0.353 1.435) 5.217 22.106 ( -4.055 -0.120 -2.014) 4.529 22.131 ( -3.239 -0.569 -2.706) 4.259 26.992 ( 0.398 0.610 0.033) 0.729 27.020 ( 0.152 -0.629 0.657) 0.922 27.118 ( 0.452 -0.004 -0.021) 0.452 27.122 ( 0.516 -0.194 -0.241) 0.602 27.524 ( -0.827 0.967 0.507) 1.370 27.576 ( -1.021 -1.469 -0.148) 1.795 27.615 ( -1.464 0.351 -0.309) 1.537 27.621 ( -1.022 0.097 -0.044) 1.027 27.848 ( 0.872 0.711 0.401) 1.194 27.877 ( -0.243 -0.637 -0.299) 0.745 27.992 ( -1.971 -0.073 0.289) 1.994 28.002 ( -2.433 -0.313 0.614) 2.529 36.742 ( 4.542 3.326 -2.213) 6.049 36.892 ( 4.241 -4.441 -4.222) 7.452 37.034 ( 1.654 -0.357 3.890) 4.242 37.044 ( 2.913 -0.443 3.163) 4.323 37.149 ( 2.638 2.490 5.721) 6.774 37.161 ( 3.830 -0.182 3.087) 4.923 37.241 ( 2.696 1.096 6.521) 7.141 37.311 ( 0.874 -0.325 13.009) 13.043 37.473 ( 6.235 -0.080 -3.318) 7.063 37.556 ( 4.646 -5.122 -0.410) 6.928 37.875 ( 0.223 5.123 4.864) 7.067 38.024 ( 3.347 -2.429 4.410) 6.046 38.224 ( 2.438 6.554 -0.137) 6.994 38.272 ( 4.028 5.457 -2.750) 7.319 38.364 ( 4.351 -1.034 -1.908) 4.862 38.579 ( -0.922 9.035 -6.367) 11.092 38.800 ( -11.530 -7.650 -14.355) 19.938 39.106 ( -27.889 23.633 22.445) 42.896 39.177 ( -13.269 -3.682 0.706) 13.789 39.855 ( -13.512 12.815 3.487) 18.946 39.980 ( -15.233 5.967 5.648) 17.307 40.338 ( -32.432 -7.936 2.657) 33.494 40.375 ( -22.325 -6.492 -3.094) 23.455 40.492 ( -21.705 -4.025 3.461) 22.345 ======================= Grid point 14 (10/96) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 17.696 3.343 9.402) 20.316 1.727 ( 17.948 4.882 20.319) 27.547 1.862 ( 15.230 -10.827 7.653) 20.193 2.140 ( 7.664 -6.900 6.811) 12.358 2.227 ( 5.270 1.108 -2.788) 6.064 2.302 ( 5.821 -1.317 4.312) 7.363 2.446 ( -2.451 4.306 -2.612) 5.601 2.614 ( 2.145 0.804 -8.833) 9.126 2.695 ( -0.880 5.861 -10.430) 11.996 2.760 ( 7.258 9.027 7.202) 13.640 2.833 ( -2.560 2.935 4.906) 6.264 2.891 ( -3.458 -1.309 0.346) 3.714 3.033 ( -8.148 -0.149 7.255) 10.911 3.071 ( -3.524 0.329 -2.792) 4.508 3.217 ( 0.340 4.176 2.445) 4.851 3.343 ( 4.058 7.229 -0.075) 8.290 3.436 ( -1.330 5.659 1.237) 5.944 3.625 ( -5.150 -2.837 -1.065) 5.975 3.712 ( 3.028 1.137 4.595) 5.619 3.863 ( -0.636 1.887 -6.767) 7.054 3.880 ( 3.186 -7.106 -2.641) 8.223 3.926 ( -5.742 -0.170 -3.084) 6.520 4.050 ( 0.477 -3.871 3.914) 5.525 4.221 ( 1.412 -3.712 -2.814) 4.867 4.317 ( 4.835 -3.911 0.199) 6.222 4.432 ( -0.680 -3.760 -4.917) 6.227 4.503 ( -0.723 0.911 -6.257) 6.364 4.577 ( -0.317 0.060 -1.069) 1.116 4.742 ( 4.479 1.342 -2.209) 5.172 4.784 ( 5.117 3.362 -3.199) 6.908 4.849 ( 5.554 -4.131 -1.056) 7.002 4.935 ( 7.083 -1.681 -2.596) 7.729 5.127 ( 8.546 -3.057 -2.168) 9.331 5.146 ( 10.197 -2.081 2.467) 10.696 5.319 ( 6.508 4.214 5.248) 9.362 5.354 ( 3.503 3.519 1.286) 5.129 5.463 ( 7.305 3.031 -1.317) 8.018 5.590 ( 3.042 -1.824 2.696) 4.455 5.673 ( 4.040 4.673 3.484) 7.092 5.765 ( -0.402 1.933 -7.645) 7.896 5.818 ( 2.731 -0.924 1.102) 3.087 5.843 ( 2.738 1.192 -5.506) 6.263 5.913 ( 4.236 0.042 2.669) 5.007 5.990 ( 0.252 1.934 2.120) 2.881 6.026 ( 0.185 3.592 4.816) 6.011 6.118 ( 4.355 -3.608 -2.288) 6.101 6.201 ( 0.741 1.384 -0.221) 1.585 6.361 ( 0.580 -4.798 4.671) 6.721 6.471 ( 15.692 5.154 1.718) 16.606 6.525 ( 3.346 -0.667 -1.887) 3.899 6.586 ( 5.422 -2.721 -1.441) 6.235 6.716 ( 10.993 2.055 0.739) 11.208 6.775 ( 7.005 -8.048 -3.707) 11.295 6.861 ( -1.338 5.777 9.569) 11.257 6.961 ( 2.060 -2.188 -8.764) 9.265 6.997 ( 3.045 -4.259 -2.493) 5.799 7.058 ( 4.360 -6.654 -3.627) 8.743 7.120 ( 3.495 2.064 -0.413) 4.080 7.181 ( 3.794 -1.872 1.057) 4.361 7.247 ( 7.982 1.259 2.144) 8.360 7.328 ( 4.831 -3.177 -3.956) 7.006 7.422 ( 5.337 4.475 2.693) 7.468 7.510 ( 8.526 -3.020 2.135) 9.293 7.549 ( 2.628 -2.833 4.698) 6.083 7.646 ( 6.410 -0.135 0.948) 6.481 7.687 ( 4.235 2.092 2.901) 5.543 7.754 ( 6.422 -1.913 -1.100) 6.790 7.844 ( 3.975 -6.647 3.766) 8.611 7.919 ( 2.673 -2.624 4.209) 5.634 7.940 ( 4.824 3.311 1.069) 5.948 7.968 ( 4.104 -3.354 3.100) 6.140 8.061 ( 4.871 0.271 -1.132) 5.008 8.120 ( 5.478 1.999 -6.855) 8.999 8.140 ( 0.017 2.596 -2.234) 3.425 8.239 ( 1.664 3.544 -8.625) 9.472 8.317 ( 5.359 -2.130 -1.399) 5.934 8.413 ( 5.326 -2.387 -3.175) 6.644 8.478 ( -1.471 -2.253 3.752) 4.617 8.503 ( 0.487 1.088 -6.483) 6.592 8.584 ( -2.464 3.766 0.277) 4.509 8.675 ( -2.899 1.868 3.990) 5.274 8.709 ( -1.086 -2.805 -9.293) 9.767 8.765 ( -4.601 2.134 1.604) 5.320 8.786 ( -1.881 0.011 -0.369) 1.917 8.944 ( -8.464 3.254 -4.706) 10.216 8.961 ( -2.364 1.844 -2.300) 3.779 8.985 ( -0.782 4.051 -0.421) 4.147 9.073 ( -1.516 -0.905 2.374) 2.959 9.155 ( -1.769 -2.332 -2.151) 3.632 9.167 ( -3.825 -3.601 0.427) 5.271 9.263 ( -3.188 4.577 0.775) 5.632 9.304 ( -2.541 2.850 0.572) 3.861 9.400 ( -2.189 1.927 0.736) 3.008 9.478 ( -3.807 2.785 1.572) 4.972 9.548 ( -2.662 0.930 -0.796) 2.930 9.571 ( -6.038 -4.067 -0.506) 7.297 9.634 ( -4.373 -1.061 -1.997) 4.923 9.727 ( -6.124 0.477 -2.425) 6.603 9.889 ( -10.062 2.012 0.588) 10.278 9.926 ( -5.937 -0.529 1.012) 6.046 10.016 ( -2.652 0.253 0.729) 2.762 10.064 ( -7.322 0.840 1.562) 7.533 10.174 ( -5.487 -0.995 2.261) 6.017 10.349 ( -7.535 -8.922 3.139) 12.093 10.414 ( -8.873 4.753 1.211) 10.138 10.509 ( -8.559 -2.239 -1.822) 9.033 10.601 ( -6.338 1.030 -1.890) 6.694 10.736 ( -3.336 -1.803 0.631) 3.844 10.887 ( -9.838 5.372 2.722) 11.535 10.991 ( -5.660 -1.068 5.454) 7.933 11.173 ( -7.582 5.663 1.782) 9.630 11.288 ( -2.054 -0.220 -5.768) 6.127 11.632 ( -4.703 -3.344 0.572) 5.799 11.781 ( -11.067 -4.819 4.067) 12.738 11.855 ( -1.682 2.370 0.222) 2.915 11.955 ( 1.003 -0.458 8.149) 8.223 12.594 ( 2.494 1.563 -3.075) 4.256 12.648 ( -0.130 -0.735 -6.297) 6.341 12.962 ( 3.040 3.075 0.983) 4.434 13.299 ( 0.284 -15.773 2.920) 16.044 13.966 ( -7.145 10.145 -0.270) 12.411 14.055 ( -4.601 1.522 -2.108) 5.285 14.175 ( -3.843 -1.632 2.245) 4.741 14.354 ( -1.333 -6.869 -4.715) 8.438 14.614 ( -0.076 5.240 0.936) 5.323 14.695 ( -0.059 0.644 2.962) 3.032 14.945 ( -0.922 2.271 -0.337) 2.474 15.057 ( -0.807 -2.226 1.052) 2.591 16.298 ( 1.845 0.035 0.125) 1.849 16.313 ( 1.529 -0.517 -2.150) 2.688 16.778 ( 1.530 2.334 -0.878) 2.925 16.805 ( 1.226 0.540 -2.518) 2.852 17.043 ( 1.197 0.740 -1.681) 2.193 17.078 ( 0.775 -0.595 -0.387) 1.051 17.168 ( 2.207 2.602 -3.698) 5.032 17.261 ( 1.554 1.321 -1.677) 2.640 17.309 ( -0.781 -1.734 0.327) 1.930 17.374 ( -0.473 1.222 1.146) 1.741 17.505 ( 1.846 -2.299 1.387) 3.258 17.545 ( -1.608 0.114 1.474) 2.185 17.620 ( 0.907 -2.198 -0.697) 2.478 17.655 ( -0.134 -2.101 -1.024) 2.341 17.755 ( -3.896 0.928 -3.009) 5.009 17.834 ( -1.117 1.811 0.146) 2.133 17.836 ( -0.258 -0.285 -4.661) 4.677 17.879 ( 0.116 0.556 -2.302) 2.371 18.002 ( 1.141 3.983 5.261) 6.697 18.056 ( -2.732 3.580 6.138) 7.613 18.179 ( -1.672 -1.950 4.576) 5.247 18.252 ( 0.273 -2.305 2.353) 3.305 18.376 ( 0.176 -1.566 -1.620) 2.260 18.419 ( 1.438 -0.677 -4.461) 4.736 18.465 ( -1.877 0.442 3.040) 3.600 18.533 ( -1.220 -1.541 4.457) 4.871 18.787 ( 0.679 0.747 0.215) 1.032 18.807 ( -0.559 -0.200 1.223) 1.359 20.712 ( 19.254 0.573 0.675) 19.274 20.732 ( 19.770 0.972 2.115) 19.906 20.787 ( 20.177 -3.447 -0.918) 20.490 20.789 ( 20.079 -1.110 3.986) 20.501 21.031 ( 21.163 10.670 -5.978) 24.443 21.510 ( 13.773 -12.488 -17.190) 25.321 21.928 ( -8.319 1.040 -1.721) 8.559 21.938 ( -8.342 0.296 0.602) 8.369 21.971 ( -8.107 0.480 1.182) 8.207 21.981 ( -7.866 0.614 -0.336) 7.897 22.017 ( -6.323 -1.386 -0.182) 6.476 22.023 ( -6.230 -1.406 -1.105) 6.481 27.001 ( 0.390 0.515 0.255) 0.694 27.025 ( -0.010 -0.599 0.409) 0.725 27.127 ( 0.521 0.015 -0.112) 0.533 27.129 ( 0.480 -0.096 -0.179) 0.521 27.516 ( -0.558 0.751 0.530) 1.075 27.557 ( -1.015 -1.117 -0.046) 1.510 27.586 ( -1.336 0.554 -0.503) 1.532 27.604 ( -0.821 -0.197 -0.268) 0.886 27.866 ( 0.705 -0.009 0.161) 0.723 27.872 ( 0.145 -0.172 -0.236) 0.325 27.958 ( -2.083 0.008 0.266) 2.100 27.966 ( -2.121 -0.163 0.711) 2.243 36.819 ( 5.968 2.136 -2.510) 6.818 36.937 ( 4.022 -3.764 -3.521) 6.537 37.063 ( -0.748 1.311 3.515) 3.826 37.133 ( 2.885 -2.695 3.412) 5.218 37.238 ( 3.044 1.558 5.171) 6.199 37.292 ( 6.012 -2.606 7.297) 9.807 37.337 ( 2.345 4.724 6.681) 8.512 37.455 ( 5.252 3.183 12.228) 13.683 37.563 ( 6.759 -1.560 -3.927) 7.971 37.649 ( 5.327 -5.362 1.319) 7.673 37.918 ( 1.737 8.296 1.951) 8.698 38.125 ( 4.581 -0.361 1.321) 4.782 38.200 ( 1.011 4.403 -2.059) 4.965 38.405 ( 3.778 -0.071 0.090) 3.779 38.434 ( 4.342 -2.717 -4.738) 6.977 38.448 ( -5.119 -1.630 -10.209) 11.536 38.617 ( 3.583 2.711 -3.518) 5.706 38.859 ( -16.912 19.958 17.883) 31.688 38.990 ( -7.129 -10.229 -7.605) 14.604 39.595 ( -18.699 4.995 0.341) 19.358 39.673 ( -22.518 -10.697 5.971) 25.634 39.887 ( -21.859 5.709 5.422) 23.234 39.902 ( -27.017 -4.686 -5.580) 27.982 40.120 ( -23.186 -2.389 4.571) 23.753 ======================= Grid point 15 (11/96) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 14.177 4.240 8.784) 17.208 2.097 ( 6.076 -4.700 1.436) 7.815 2.146 ( 13.797 2.565 13.069) 19.176 2.252 ( 6.206 2.002 6.275) 9.050 2.340 ( -3.209 2.228 4.285) 5.798 2.435 ( 5.646 -4.425 -0.352) 7.182 2.465 ( 1.651 -1.329 -3.814) 4.364 2.512 ( 4.602 -4.173 -0.500) 6.233 2.632 ( 0.712 2.883 -11.592) 11.966 2.778 ( -5.090 -4.487 -1.980) 7.069 2.841 ( -2.193 4.201 5.118) 6.975 2.853 ( -2.601 3.057 4.577) 6.088 2.949 ( -7.071 4.086 1.293) 8.268 3.027 ( 2.304 -0.434 5.682) 6.147 3.271 ( 1.141 8.942 -0.658) 9.039 3.361 ( 2.160 1.163 0.925) 2.622 3.467 ( -4.169 -3.014 -2.967) 5.939 3.601 ( 4.595 2.042 7.842) 9.316 3.642 ( -7.113 3.705 -6.357) 10.234 3.721 ( -9.054 -0.347 -9.613) 13.210 3.885 ( 4.734 7.258 2.757) 9.093 3.945 ( 3.670 -1.457 -3.311) 5.153 4.131 ( 2.426 -2.833 0.889) 3.835 4.162 ( -4.047 2.626 -4.428) 6.549 4.282 ( -4.035 -2.835 -3.010) 5.778 4.448 ( 5.413 -9.433 -0.081) 10.876 4.542 ( 5.023 -1.777 -1.086) 5.438 4.583 ( 1.074 -1.017 -0.313) 1.512 4.759 ( -0.101 3.178 0.058) 3.180 4.863 ( 4.802 3.487 -2.899) 6.605 4.896 ( 1.097 -2.678 -0.429) 2.925 5.016 ( 3.899 -3.373 -2.653) 5.799 5.253 ( 6.557 -1.275 -1.168) 6.781 5.310 ( 6.713 -0.271 1.064) 6.802 5.395 ( 0.445 1.072 1.653) 2.020 5.445 ( 3.389 -1.526 3.710) 5.252 5.598 ( 5.421 2.846 0.893) 6.188 5.630 ( 0.406 1.609 1.282) 2.097 5.685 ( -0.377 2.460 -6.113) 6.600 5.729 ( -1.199 1.272 0.546) 1.832 5.838 ( 3.357 3.375 -1.187) 4.906 5.859 ( 2.666 1.944 -2.951) 4.427 5.987 ( -0.842 0.516 0.894) 1.332 5.992 ( -1.350 0.352 0.617) 1.525 6.070 ( 5.787 4.436 0.765) 7.332 6.183 ( 1.117 2.905 1.917) 3.655 6.293 ( 4.677 -10.101 7.419) 13.377 6.409 ( 0.445 -6.603 9.060) 11.220 6.502 ( -1.758 1.802 -2.316) 3.420 6.638 ( 3.958 -0.219 -5.485) 6.768 6.711 ( 5.129 2.296 0.861) 5.685 6.798 ( 1.398 -0.980 -4.006) 4.354 6.811 ( -3.976 -2.613 2.990) 5.620 6.878 ( -0.983 -0.717 2.328) 2.627 6.949 ( 6.268 -2.099 -6.629) 9.362 7.036 ( -0.128 -5.250 -6.374) 8.259 7.188 ( 12.914 1.534 0.898) 13.036 7.230 ( 10.516 1.823 2.946) 11.072 7.313 ( 6.687 -2.939 3.886) 8.274 7.391 ( 5.278 2.973 -1.275) 6.191 7.435 ( 6.928 -1.606 4.148) 8.233 7.513 ( 3.081 3.127 0.279) 4.398 7.592 ( 0.093 -1.108 5.177) 5.295 7.636 ( 2.716 -2.534 2.256) 4.346 7.732 ( 0.578 -0.572 0.122) 0.822 7.800 ( 5.276 -5.225 -1.418) 7.559 7.866 ( 8.709 1.708 1.827) 9.061 7.935 ( -1.045 -3.227 -0.028) 3.392 7.994 ( 8.176 -2.454 0.703) 8.565 8.024 ( 5.617 -0.092 -1.454) 5.803 8.053 ( 2.375 1.480 -2.027) 3.455 8.107 ( 1.326 1.904 1.316) 2.668 8.156 ( 2.767 2.588 -5.453) 6.640 8.168 ( 3.285 -0.265 -2.821) 4.339 8.272 ( 4.031 -1.646 0.942) 4.455 8.375 ( 1.498 -4.758 -4.533) 6.741 8.413 ( 1.734 1.626 -2.659) 3.567 8.473 ( 0.334 1.103 -2.917) 3.136 8.491 ( -0.241 3.144 1.258) 3.395 8.544 ( -6.538 -0.519 3.887) 7.624 8.578 ( -2.328 1.538 -6.565) 7.133 8.650 ( -2.605 -2.182 1.460) 3.699 8.680 ( -5.406 1.607 2.015) 5.989 8.767 ( -2.366 -3.932 -2.154) 5.069 8.806 ( -1.895 1.542 -0.056) 2.444 8.888 ( -1.899 0.368 0.612) 2.029 9.014 ( 0.251 -0.105 -1.526) 1.550 9.018 ( -1.722 5.896 1.318) 6.282 9.040 ( -4.049 -0.395 -1.606) 4.374 9.206 ( 0.293 0.076 -0.076) 0.312 9.228 ( -3.844 4.077 0.201) 5.607 9.248 ( -2.075 3.466 1.421) 4.282 9.331 ( -1.401 1.204 -1.572) 2.425 9.468 ( -5.126 -2.953 3.546) 6.898 9.495 ( -1.748 -0.471 -1.908) 2.630 9.532 ( 1.494 -1.829 -1.606) 2.856 9.543 ( -3.439 0.468 1.173) 3.664 9.633 ( -2.414 -0.235 -1.689) 2.955 9.712 ( -7.831 -0.810 -1.123) 7.952 9.779 ( -7.313 0.024 -1.373) 7.441 9.930 ( -8.254 1.195 -0.622) 8.363 9.977 ( -3.031 2.983 0.756) 4.319 10.094 ( -4.969 -0.276 2.852) 5.736 10.239 ( -8.477 0.871 -0.614) 8.543 10.313 ( -2.528 -3.003 3.247) 5.095 10.388 ( -3.758 -0.583 2.912) 4.790 10.493 ( -4.226 0.270 -0.043) 4.234 10.597 ( -5.601 -2.974 -7.889) 10.122 10.848 ( -2.220 2.562 5.875) 6.783 10.928 ( -4.471 -0.672 1.071) 4.646 11.098 ( -1.352 8.151 -0.939) 8.316 11.239 ( -0.378 -1.056 -2.384) 2.635 11.545 ( -4.670 -6.213 -1.690) 7.954 11.586 ( -7.878 -4.798 1.517) 9.348 11.892 ( 0.921 6.907 3.914) 7.992 12.057 ( 1.780 -2.318 8.017) 8.533 12.601 ( 0.697 0.867 -4.062) 4.212 12.620 ( 1.123 0.399 -2.017) 2.343 12.947 ( -2.035 3.661 -3.260) 5.307 13.276 ( -3.021 -12.277 0.538) 12.655 13.888 ( -2.168 7.513 -0.057) 7.820 14.034 ( 1.433 1.506 1.448) 2.533 14.142 ( -1.822 -2.782 0.874) 3.439 14.309 ( -0.816 -8.603 -2.703) 9.055 14.621 ( 0.234 7.099 0.442) 7.116 14.711 ( -0.260 1.641 1.792) 2.444 14.934 ( 0.097 1.022 -0.071) 1.029 15.040 ( -1.578 -2.910 0.288) 3.323 16.318 ( 1.142 0.126 -1.560) 1.937 16.331 ( 0.906 -0.517 0.505) 1.158 16.795 ( 0.673 1.070 -0.180) 1.277 16.807 ( 1.070 0.621 -2.210) 2.533 17.054 ( 0.853 0.436 -0.299) 1.004 17.082 ( 0.314 -0.703 -1.077) 1.324 17.196 ( 2.716 1.013 -1.218) 3.144 17.263 ( -0.296 -1.402 -0.972) 1.731 17.314 ( 0.886 1.640 0.477) 1.924 17.364 ( -1.140 2.710 0.610) 3.002 17.524 ( -1.249 1.781 0.408) 2.213 17.541 ( 0.850 0.283 1.291) 1.572 17.635 ( 0.797 -3.485 -0.213) 3.582 17.647 ( 0.014 -1.504 -2.115) 2.596 17.687 ( -1.168 -1.859 -0.497) 2.251 17.770 ( -2.832 -3.184 -1.805) 4.628 17.850 ( 0.896 3.380 -0.022) 3.497 17.867 ( 0.604 2.414 -2.460) 3.499 18.029 ( -0.097 2.092 0.516) 2.157 18.076 ( -1.248 2.349 6.993) 7.482 18.172 ( -1.555 -0.068 3.147) 3.511 18.278 ( 1.240 -5.082 -0.434) 5.249 18.353 ( -0.536 0.133 -2.010) 2.084 18.415 ( 0.209 -2.193 -0.928) 2.391 18.461 ( -0.502 1.744 1.293) 2.228 18.545 ( -0.449 -0.679 2.369) 2.505 18.797 ( 0.428 0.710 0.021) 0.829 18.808 ( -0.315 0.151 0.890) 0.956 21.059 ( 19.110 0.263 0.871) 19.132 21.096 ( 19.110 0.298 1.953) 19.212 21.126 ( 18.759 -1.802 -0.107) 18.846 21.170 ( 18.573 -1.245 5.484) 19.405 21.306 ( 14.341 7.231 -5.217) 16.887 21.567 ( 1.287 -5.724 -7.471) 9.499 21.738 ( -10.986 2.689 -3.826) 11.940 21.778 ( -9.431 0.132 -0.316) 9.437 21.809 ( -5.704 -0.490 -4.900) 7.536 21.833 ( -10.446 -1.087 -4.283) 11.342 21.845 ( -10.111 1.119 3.567) 10.780 21.939 ( -6.149 -3.005 4.478) 8.179 27.009 ( 0.265 0.313 0.280) 0.497 27.026 ( -0.128 -0.461 0.106) 0.490 27.133 ( 0.385 0.064 -0.233) 0.454 27.135 ( 0.242 -0.011 0.046) 0.246 27.512 ( -0.184 0.479 0.325) 0.607 27.542 ( -0.607 -0.904 0.080) 1.092 27.564 ( -0.709 0.747 -0.420) 1.112 27.589 ( -0.580 -0.332 -0.306) 0.735 27.867 ( 0.095 -0.032 -0.276) 0.293 27.885 ( 0.825 -0.617 -0.057) 1.032 27.928 ( -1.518 0.402 0.322) 1.603 27.941 ( -1.316 0.065 0.541) 1.424 36.904 ( 5.823 0.833 -3.229) 6.710 36.973 ( 1.618 -2.861 -0.816) 3.387 37.064 ( -1.411 2.309 2.434) 3.639 37.182 ( 0.718 -4.554 1.747) 4.930 37.324 ( 1.593 4.928 5.314) 7.421 37.402 ( 2.406 4.570 3.234) 6.094 37.477 ( 6.207 -1.129 10.072) 11.885 37.622 ( 6.302 -0.745 -6.718) 9.241 37.665 ( 4.108 -2.871 11.204) 12.274 37.735 ( 2.574 -4.303 1.583) 5.258 37.971 ( 3.823 9.665 -1.553) 10.509 38.149 ( -6.591 1.941 -9.487) 11.714 38.162 ( 1.422 -0.613 -2.444) 2.894 38.308 ( 5.714 -2.953 -1.198) 6.542 38.461 ( 4.836 1.354 0.687) 5.068 38.592 ( 3.466 0.298 4.049) 5.338 38.670 ( -1.245 -1.140 1.626) 2.344 38.807 ( 5.407 3.116 0.078) 6.241 38.842 ( -2.947 3.809 -4.161) 6.365 39.240 ( -19.196 -5.823 -0.370) 20.063 39.380 ( -15.496 -6.589 3.753) 17.252 39.407 ( -21.152 -2.435 -5.759) 22.057 39.597 ( -15.495 8.038 3.711) 17.846 39.784 ( -17.591 -1.646 3.856) 18.084 ======================= Grid point 16 (12/96) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 0.000 -2.467 -0.000) 2.467 2.154 ( 0.000 -2.896 0.000) 2.896 2.254 ( 0.000 4.226 0.000) 4.226 2.292 ( 0.000 4.101 -0.000) 4.101 2.395 ( 0.000 4.776 0.000) 4.776 2.479 ( -0.000 5.438 -0.000) 5.438 2.485 ( 0.000 -1.867 0.000) 1.867 2.578 ( 0.000 -5.443 0.000) 5.443 2.608 ( -0.000 -6.243 -0.000) 6.243 2.679 ( 0.000 -4.002 0.000) 4.002 2.781 ( 0.000 2.482 0.000) 2.482 2.868 ( -0.000 2.493 0.000) 2.493 2.908 ( 0.000 8.552 0.000) 8.552 3.176 ( 0.000 -7.473 0.000) 7.473 3.209 ( -0.000 12.914 -0.000) 12.914 3.367 ( 0.000 -3.208 -0.000) 3.208 3.469 ( -0.000 -3.551 0.000) 3.551 3.517 ( 0.000 4.692 0.000) 4.692 3.522 ( 0.000 1.474 -0.000) 1.474 3.738 ( 0.000 -4.586 -0.000) 4.586 3.952 ( -0.000 6.522 -0.000) 6.522 3.955 ( 0.000 1.204 0.000) 1.204 4.046 ( 0.000 9.877 0.000) 9.877 4.164 ( 0.000 2.394 0.000) 2.394 4.253 ( 0.000 -7.953 0.000) 7.953 4.502 ( 0.000 -9.239 -0.000) 9.239 4.590 ( 0.000 -0.461 -0.000) 0.461 4.596 ( 0.000 -3.912 0.000) 3.912 4.757 ( 0.000 3.884 0.000) 3.884 4.895 ( -0.000 4.473 0.000) 4.473 4.900 ( 0.000 -2.381 -0.000) 2.381 5.038 ( 0.000 -3.090 0.000) 3.090 5.312 ( 0.000 -0.026 0.000) 0.026 5.391 ( 0.000 2.631 -0.000) 2.631 5.394 ( -0.000 -1.641 0.000) 1.641 5.476 ( -0.000 -5.246 0.000) 5.246 5.625 ( -0.000 2.750 0.000) 2.750 5.627 ( 0.000 4.232 -0.000) 4.232 5.703 ( -0.000 4.459 0.000) 4.459 5.704 ( 0.000 -0.155 -0.000) 0.155 5.879 ( 0.000 -6.322 0.000) 6.322 5.886 ( 0.000 1.261 -0.000) 1.261 5.951 ( 0.000 4.993 0.000) 4.993 5.982 ( 0.000 2.056 0.000) 2.056 6.153 ( 0.000 7.993 0.000) 7.993 6.202 ( 0.000 2.797 0.000) 2.797 6.347 ( 0.000 -13.275 0.000) 13.275 6.429 ( 0.000 1.636 0.000) 1.636 6.548 ( 0.000 -4.404 0.000) 4.404 6.622 ( 0.000 -2.825 -0.000) 2.825 6.740 ( 0.000 -3.383 0.000) 3.383 6.757 ( 0.000 0.246 -0.000) 0.246 6.800 ( 0.000 2.029 0.000) 2.029 6.874 ( -0.000 -2.364 -0.000) 2.364 6.985 ( 0.000 -3.067 0.000) 3.067 6.997 ( 0.000 -1.786 -0.000) 1.786 7.342 ( 0.000 2.655 -0.000) 2.655 7.400 ( 0.000 -1.305 0.000) 1.305 7.408 ( 0.000 -0.172 0.000) 0.172 7.452 ( -0.000 5.768 0.000) 5.768 7.458 ( 0.000 3.898 -0.000) 3.898 7.579 ( 0.000 -4.283 0.000) 4.283 7.596 ( 0.000 1.625 0.000) 1.625 7.655 ( 0.000 -3.354 0.000) 3.354 7.739 ( 0.000 -6.718 -0.000) 6.718 7.838 ( -0.000 -2.595 -0.000) 2.595 7.915 ( 0.000 1.201 0.000) 1.201 7.969 ( 0.000 -1.250 0.000) 1.250 8.012 ( 0.000 0.518 0.000) 0.518 8.077 ( 0.000 -1.311 0.000) 1.311 8.105 ( -0.000 7.355 0.000) 7.355 8.115 ( 0.000 -3.291 -0.000) 3.291 8.186 ( -0.000 -0.702 0.000) 0.702 8.236 ( 0.000 0.784 0.000) 0.784 8.269 ( 0.000 2.455 0.000) 2.455 8.336 ( 0.000 -0.214 -0.000) 0.214 8.375 ( 0.000 -1.293 -0.000) 1.293 8.434 ( -0.000 1.692 0.000) 1.692 8.501 ( 0.000 5.215 -0.000) 5.215 8.531 ( 0.000 2.067 -0.000) 2.067 8.551 ( -0.000 -4.331 0.000) 4.331 8.635 ( 0.000 -3.783 -0.000) 3.783 8.682 ( -0.000 -5.030 -0.000) 5.030 8.705 ( 0.000 -4.145 0.000) 4.145 8.803 ( 0.000 0.962 0.000) 0.962 8.868 ( 0.000 -2.819 -0.000) 2.819 8.966 ( 0.000 2.043 0.000) 2.043 9.036 ( 0.000 1.912 0.000) 1.912 9.038 ( 0.000 7.237 0.000) 7.237 9.131 ( 0.000 8.999 0.000) 8.999 9.214 ( 0.000 0.931 0.000) 0.931 9.273 ( 0.000 -0.906 0.000) 0.906 9.325 ( 0.000 -3.175 0.000) 3.175 9.422 ( 0.000 0.004 0.000) 0.004 9.458 ( 0.000 -3.257 -0.000) 3.257 9.484 ( 0.000 1.955 0.000) 1.955 9.550 ( -0.000 -4.527 0.000) 4.527 9.566 ( 0.000 -0.681 -0.000) 0.681 9.705 ( 0.000 0.231 0.000) 0.231 9.719 ( -0.000 4.307 -0.000) 4.307 9.821 ( 0.000 2.456 0.000) 2.456 9.934 ( 0.000 -0.951 0.000) 0.951 10.081 ( 0.000 3.400 0.000) 3.400 10.130 ( 0.000 2.623 0.000) 2.623 10.312 ( 0.000 -2.779 0.000) 2.779 10.382 ( 0.000 -1.364 0.000) 1.364 10.469 ( 0.000 -3.085 0.000) 3.085 10.495 ( 0.000 -2.342 -0.000) 2.342 10.855 ( -0.000 1.857 -0.000) 1.857 10.877 ( 0.000 -0.393 0.000) 0.393 11.089 ( 0.000 8.921 0.000) 8.921 11.225 ( -0.000 -0.861 -0.000) 0.861 11.492 ( 0.000 -6.598 0.000) 6.598 11.529 ( -0.000 -4.341 0.000) 4.341 11.917 ( 0.000 7.296 0.000) 7.296 12.107 ( 0.000 -3.326 0.000) 3.326 12.590 ( 0.000 1.281 0.000) 1.281 12.625 ( 0.000 -0.093 0.000) 0.093 12.906 ( 0.000 4.630 0.000) 4.630 13.245 ( 0.000 -11.242 0.000) 11.242 13.870 ( 0.000 7.226 0.000) 7.226 14.072 ( 0.000 2.811 0.000) 2.811 14.119 ( 0.000 -5.597 0.000) 5.597 14.290 ( 0.000 -8.670 0.000) 8.670 14.625 ( 0.000 8.474 0.000) 8.474 14.714 ( 0.000 1.998 0.000) 1.998 14.940 ( 0.000 0.145 0.000) 0.145 15.021 ( 0.000 -3.298 0.000) 3.298 16.322 ( 0.000 0.300 -0.000) 0.300 16.341 ( 0.000 -0.644 0.000) 0.644 16.799 ( 0.000 0.706 -0.000) 0.706 16.809 ( 0.000 0.636 0.000) 0.636 17.064 ( -0.000 0.209 -0.000) 0.209 17.077 ( 0.000 -0.372 0.000) 0.372 17.226 ( 0.000 -1.567 0.000) 1.567 17.249 ( 0.000 -1.188 0.000) 1.188 17.324 ( 0.000 2.754 0.000) 2.754 17.357 ( 0.000 3.767 0.000) 3.767 17.513 ( 0.000 2.132 0.000) 2.132 17.552 ( 0.000 3.591 -0.000) 3.591 17.629 ( 0.000 -3.187 0.000) 3.187 17.643 ( 0.000 -3.423 0.000) 3.423 17.701 ( 0.000 -2.239 0.000) 2.239 17.721 ( 0.000 -4.849 0.000) 4.849 17.857 ( 0.000 2.876 0.000) 2.876 17.865 ( 0.000 3.618 -0.000) 3.618 18.030 ( 0.000 1.501 0.000) 1.501 18.087 ( 0.000 1.073 0.000) 1.073 18.176 ( 0.000 0.979 0.000) 0.979 18.283 ( 0.000 -5.373 -0.000) 5.373 18.342 ( 0.000 0.458 -0.000) 0.458 18.412 ( 0.000 -3.032 0.000) 3.032 18.462 ( 0.000 2.386 0.000) 2.386 18.550 ( 0.000 -0.373 0.000) 0.373 18.801 ( 0.000 0.708 0.000) 0.708 18.809 ( 0.000 0.264 -0.000) 0.264 21.328 ( 0.000 0.725 0.000) 0.725 21.366 ( 0.000 -0.940 0.000) 0.940 21.380 ( -0.000 0.108 -0.000) 0.108 21.394 ( -0.000 -0.297 0.000) 0.297 21.432 ( 0.000 -0.539 0.000) 0.539 21.443 ( -0.000 -1.028 0.000) 1.028 21.512 ( -0.000 3.504 0.000) 3.504 21.636 ( 0.000 -2.474 0.000) 2.474 21.690 ( 0.000 4.767 -0.000) 4.767 21.733 ( 0.000 0.567 0.000) 0.567 21.763 ( 0.000 -0.742 0.000) 0.742 21.893 ( 0.000 -4.512 -0.000) 4.512 27.012 ( -0.000 0.179 -0.000) 0.179 27.024 ( 0.000 -0.354 0.000) 0.354 27.136 ( 0.000 0.098 0.000) 0.098 27.138 ( 0.000 0.010 0.000) 0.010 27.512 ( 0.000 0.350 0.000) 0.350 27.537 ( -0.000 -0.794 -0.000) 0.794 27.556 ( 0.000 0.750 0.000) 0.750 27.582 ( 0.000 -0.325 0.000) 0.325 27.868 ( 0.000 -0.035 0.000) 0.035 27.893 ( 0.000 -1.250 0.000) 1.250 27.914 ( 0.000 0.885 -0.000) 0.885 27.930 ( 0.000 0.289 0.000) 0.289 36.958 ( 0.000 -0.639 -0.000) 0.639 36.974 ( -0.000 -1.400 0.000) 1.400 37.059 ( 0.000 2.505 -0.000) 2.505 37.193 ( 0.000 -5.093 0.000) 5.093 37.357 ( 0.000 7.488 0.000) 7.488 37.440 ( 0.000 6.825 0.000) 6.825 37.636 ( 0.000 -5.018 -0.000) 5.018 37.642 ( 0.000 0.487 0.000) 0.487 37.700 ( -0.000 -9.054 0.000) 9.054 37.756 ( 0.000 -5.595 0.000) 5.595 38.012 ( 0.000 9.738 0.000) 9.738 38.069 ( 0.000 9.653 0.000) 9.653 38.158 ( 0.000 0.057 -0.000) 0.057 38.366 ( 0.000 -4.176 0.000) 4.176 38.539 ( 0.000 -2.362 0.000) 2.362 38.621 ( 0.000 7.007 0.000) 7.007 38.674 ( -0.000 -8.935 -0.000) 8.935 38.802 ( 0.000 5.308 0.000) 5.308 38.923 ( 0.000 -2.552 0.000) 2.552 38.985 ( -0.000 1.136 0.000) 1.136 39.196 ( 0.000 -4.199 0.000) 4.199 39.247 ( 0.000 -5.244 0.000) 5.244 39.453 ( 0.000 7.636 0.000) 7.636 39.625 ( 0.000 -1.903 0.000) 1.903 ======================= Grid point 22 (13/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 0.000 -28.539 0.000) 28.539 1.051 ( 0.000 28.539 0.000) 28.539 1.180 ( 0.000 -31.247 0.000) 31.247 1.180 ( 0.000 31.247 0.000) 31.247 2.011 ( 0.000 -38.723 0.000) 38.723 2.011 ( 0.000 38.723 0.000) 38.723 2.365 ( 0.000 -9.346 0.000) 9.346 2.365 ( 0.000 9.346 0.000) 9.346 2.784 ( 0.000 -7.086 0.000) 7.086 2.784 ( 0.000 7.086 0.000) 7.086 2.988 ( 0.000 -5.964 0.000) 5.964 2.988 ( 0.000 5.964 0.000) 5.964 3.180 ( 0.000 -10.371 0.000) 10.371 3.180 ( 0.000 10.371 0.000) 10.371 3.361 ( 0.000 -10.814 0.000) 10.814 3.361 ( 0.000 10.814 0.000) 10.814 3.587 ( 0.000 -9.538 0.000) 9.538 3.587 ( 0.000 9.538 0.000) 9.538 3.681 ( 0.000 -4.694 0.000) 4.694 3.681 ( 0.000 4.694 0.000) 4.694 3.924 ( 0.000 -0.725 0.000) 0.725 3.924 ( 0.000 0.725 0.000) 0.725 4.079 ( 0.000 -2.533 0.000) 2.533 4.079 ( 0.000 2.533 0.000) 2.533 4.250 ( 0.000 -5.583 0.000) 5.583 4.250 ( 0.000 5.583 0.000) 5.583 4.340 ( 0.000 -5.122 0.000) 5.122 4.340 ( 0.000 5.122 0.000) 5.122 4.532 ( 0.000 -0.785 0.000) 0.785 4.532 ( 0.000 0.785 0.000) 0.785 4.717 ( 0.000 -2.415 0.000) 2.415 4.717 ( 0.000 2.415 0.000) 2.415 4.889 ( 0.000 -1.709 0.000) 1.709 4.889 ( 0.000 1.709 0.000) 1.709 5.012 ( 0.000 -4.506 0.000) 4.506 5.012 ( 0.000 4.506 0.000) 4.506 5.291 ( 0.000 -1.726 0.000) 1.726 5.291 ( 0.000 1.726 0.000) 1.726 5.626 ( 0.000 -0.525 0.000) 0.525 5.626 ( 0.000 0.525 0.000) 0.525 5.645 ( 0.000 -2.611 0.000) 2.611 5.645 ( 0.000 2.611 0.000) 2.611 5.868 ( 0.000 -3.306 0.000) 3.306 5.868 ( 0.000 3.306 0.000) 3.306 5.915 ( 0.000 -5.262 0.000) 5.262 5.915 ( 0.000 5.262 0.000) 5.262 6.065 ( 0.000 -1.341 0.000) 1.341 6.065 ( 0.000 1.341 0.000) 1.341 6.365 ( 0.000 -0.469 0.000) 0.469 6.365 ( 0.000 0.469 0.000) 0.469 6.414 ( 0.000 -6.885 0.000) 6.885 6.414 ( 0.000 6.885 0.000) 6.885 6.670 ( 0.000 -6.822 0.000) 6.822 6.670 ( 0.000 6.822 0.000) 6.822 6.892 ( 0.000 -0.126 0.000) 0.126 6.892 ( 0.000 0.126 0.000) 0.126 6.988 ( 0.000 -1.926 0.000) 1.926 6.988 ( 0.000 1.926 0.000) 1.926 7.076 ( 0.000 -8.604 0.000) 8.604 7.076 ( 0.000 8.604 0.000) 8.604 7.278 ( 0.000 -2.903 0.000) 2.903 7.278 ( 0.000 2.903 0.000) 2.903 7.363 ( 0.000 -1.263 0.000) 1.263 7.363 ( 0.000 1.263 0.000) 1.263 7.571 ( 0.000 -4.370 0.000) 4.370 7.571 ( 0.000 4.370 0.000) 4.370 7.604 ( 0.000 -1.119 0.000) 1.119 7.604 ( 0.000 1.119 0.000) 1.119 7.835 ( 0.000 -5.686 0.000) 5.686 7.835 ( 0.000 5.686 0.000) 5.686 7.868 ( 0.000 -4.973 0.000) 4.973 7.868 ( 0.000 4.973 0.000) 4.973 8.046 ( 0.000 -5.448 0.000) 5.448 8.046 ( 0.000 5.448 0.000) 5.448 8.179 ( 0.000 -3.144 0.000) 3.144 8.179 ( 0.000 3.144 0.000) 3.144 8.380 ( 0.000 -7.032 0.000) 7.032 8.380 ( 0.000 7.032 0.000) 7.032 8.637 ( 0.000 -1.772 0.000) 1.772 8.637 ( 0.000 1.772 0.000) 1.772 8.806 ( 0.000 -5.185 0.000) 5.185 8.806 ( 0.000 5.185 0.000) 5.185 8.838 ( 0.000 -4.188 0.000) 4.188 8.838 ( 0.000 4.188 0.000) 4.188 8.960 ( 0.000 -1.531 0.000) 1.531 8.960 ( 0.000 1.531 0.000) 1.531 9.050 ( 0.000 -0.867 0.000) 0.867 9.050 ( 0.000 0.867 0.000) 0.867 9.310 ( 0.000 -4.002 0.000) 4.002 9.310 ( 0.000 4.002 0.000) 4.002 9.512 ( 0.000 -0.555 0.000) 0.555 9.512 ( 0.000 0.555 0.000) 0.555 9.557 ( 0.000 -4.618 0.000) 4.618 9.557 ( 0.000 4.618 0.000) 4.618 9.668 ( 0.000 -2.979 0.000) 2.979 9.668 ( 0.000 2.979 0.000) 2.979 9.971 ( 0.000 -0.100 0.000) 0.100 9.971 ( 0.000 0.100 0.000) 0.100 10.013 ( 0.000 -3.659 0.000) 3.659 10.013 ( 0.000 3.659 0.000) 3.659 10.165 ( 0.000 -0.572 0.000) 0.572 10.165 ( 0.000 0.572 0.000) 0.572 10.343 ( 0.000 -4.784 0.000) 4.784 10.343 ( 0.000 4.784 0.000) 4.784 10.774 ( 0.000 -7.813 0.000) 7.813 10.774 ( 0.000 7.813 0.000) 7.813 10.886 ( 0.000 -1.353 0.000) 1.353 10.886 ( 0.000 1.353 0.000) 1.353 11.239 ( 0.000 -1.869 0.000) 1.869 11.239 ( 0.000 1.869 0.000) 1.869 11.461 ( 0.000 -3.041 0.000) 3.041 11.461 ( 0.000 3.041 0.000) 3.041 11.857 ( 0.000 -14.047 0.000) 14.047 11.857 ( 0.000 14.047 0.000) 14.047 12.066 ( 0.000 -0.880 0.000) 0.880 12.066 ( 0.000 0.880 0.000) 0.880 12.474 ( 0.000 -2.945 0.000) 2.945 12.474 ( 0.000 2.945 0.000) 2.945 12.701 ( 0.000 -5.088 0.000) 5.088 12.701 ( 0.000 5.088 0.000) 5.088 14.350 ( 0.000 -2.571 0.000) 2.571 14.350 ( 0.000 2.571 0.000) 2.571 14.612 ( 0.000 -1.588 0.000) 1.588 14.612 ( 0.000 1.588 0.000) 1.588 14.961 ( 0.000 -0.793 0.000) 0.793 14.961 ( 0.000 0.793 0.000) 0.793 15.002 ( 0.000 -8.268 0.000) 8.268 15.002 ( 0.000 8.268 0.000) 8.268 16.256 ( 0.000 -2.433 0.000) 2.433 16.256 ( 0.000 2.433 0.000) 2.433 16.839 ( 0.000 -7.907 0.000) 7.907 16.839 ( 0.000 7.907 0.000) 7.907 17.054 ( 0.000 -0.363 0.000) 0.363 17.054 ( 0.000 0.363 0.000) 0.363 17.252 ( 0.000 -2.987 0.000) 2.987 17.252 ( 0.000 2.987 0.000) 2.987 17.400 ( 0.000 -2.628 0.000) 2.628 17.400 ( 0.000 2.628 0.000) 2.628 17.436 ( 0.000 -1.738 0.000) 1.738 17.436 ( 0.000 1.738 0.000) 1.738 17.712 ( 0.000 -2.378 0.000) 2.378 17.712 ( 0.000 2.378 0.000) 2.378 17.853 ( 0.000 -0.610 0.000) 0.610 17.853 ( 0.000 0.610 0.000) 0.610 17.991 ( 0.000 -1.604 0.000) 1.604 17.991 ( 0.000 1.604 0.000) 1.604 18.039 ( 0.000 -0.773 0.000) 0.773 18.039 ( 0.000 0.773 0.000) 0.773 18.189 ( 0.000 -4.338 0.000) 4.338 18.189 ( 0.000 4.338 0.000) 4.338 18.404 ( 0.000 -8.560 0.000) 8.560 18.404 ( 0.000 8.560 0.000) 8.560 18.498 ( 0.000 -0.973 0.000) 0.973 18.498 ( 0.000 0.973 0.000) 0.973 18.788 ( 0.000 -2.038 0.000) 2.038 18.788 ( 0.000 2.038 0.000) 2.038 20.073 ( 0.000 -0.398 0.000) 0.398 20.073 ( 0.000 0.398 0.000) 0.398 20.082 ( 0.000 -0.153 0.000) 0.153 20.082 ( 0.000 0.153 0.000) 0.153 20.098 ( 0.000 -0.044 0.000) 0.044 20.098 ( 0.000 0.044 0.000) 0.044 22.133 ( 0.000 -0.571 0.000) 0.571 22.133 ( 0.000 0.571 0.000) 0.571 22.178 ( 0.000 -0.389 0.000) 0.389 22.178 ( 0.000 0.389 0.000) 0.389 22.185 ( 0.000 -0.051 0.000) 0.051 22.185 ( 0.000 0.051 0.000) 0.051 26.997 ( 0.000 -0.711 0.000) 0.711 26.997 ( 0.000 0.711 0.000) 0.711 27.111 ( 0.000 -0.152 0.000) 0.152 27.111 ( 0.000 0.152 0.000) 0.152 27.564 ( 0.000 -1.734 0.000) 1.734 27.564 ( 0.000 1.734 0.000) 1.734 27.652 ( 0.000 -0.006 0.000) 0.006 27.652 ( 0.000 0.006 0.000) 0.006 27.858 ( 0.000 -1.774 0.000) 1.774 27.858 ( 0.000 1.774 0.000) 1.774 28.044 ( 0.000 -0.538 0.000) 0.538 28.044 ( 0.000 0.538 0.000) 0.538 36.760 ( 0.000 -3.614 0.000) 3.614 36.760 ( 0.000 3.614 0.000) 3.614 36.969 ( 0.000 -0.359 0.000) 0.359 36.969 ( 0.000 0.359 0.000) 0.359 37.080 ( 0.000 -0.041 0.000) 0.041 37.080 ( 0.000 0.041 0.000) 0.041 37.137 ( 0.000 -1.558 0.000) 1.558 37.137 ( 0.000 1.558 0.000) 1.558 37.408 ( 0.000 -2.525 0.000) 2.525 37.408 ( 0.000 2.525 0.000) 2.525 37.878 ( 0.000 -2.590 0.000) 2.590 37.878 ( 0.000 2.590 0.000) 2.590 38.159 ( 0.000 -4.795 0.000) 4.795 38.159 ( 0.000 4.795 0.000) 4.795 38.789 ( 0.000 -26.347 0.000) 26.347 38.789 ( 0.000 26.347 0.000) 26.347 38.910 ( 0.000 -14.457 0.000) 14.457 38.910 ( 0.000 14.457 0.000) 14.457 40.304 ( 0.000 -6.488 0.000) 6.488 40.304 ( 0.000 6.488 0.000) 6.488 40.719 ( 0.000 -5.475 0.000) 5.475 40.719 ( 0.000 5.475 0.000) 5.475 41.205 ( 0.000 -2.897 0.000) 2.897 41.205 ( 0.000 2.897 0.000) 2.897 ======================= Grid point 24 (14/96) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 5.327 -25.012 -6.732) 26.444 1.040 ( 5.327 25.012 -6.732) 26.444 1.295 ( 8.312 -27.094 10.771) 30.318 1.295 ( 8.312 27.094 10.771) 30.318 2.156 ( 9.654 -18.577 3.014) 21.151 2.156 ( 9.654 18.577 3.014) 21.151 2.447 ( 8.348 -14.845 5.298) 17.837 2.447 ( 8.348 14.845 5.298) 17.837 2.753 ( -2.368 -4.925 0.960) 5.548 2.753 ( -2.368 4.925 0.960) 5.548 2.998 ( 0.598 -6.161 -1.427) 6.352 2.998 ( 0.598 6.161 -1.427) 6.352 3.152 ( -6.078 -11.068 -3.569) 13.121 3.152 ( -6.078 11.068 -3.569) 13.121 3.355 ( 0.448 -13.422 7.422) 15.344 3.355 ( 0.448 13.422 7.422) 15.344 3.492 ( -5.728 -7.360 -5.802) 10.984 3.492 ( -5.728 7.360 -5.802) 10.984 3.685 ( -1.580 -4.934 4.988) 7.192 3.685 ( -1.580 4.934 4.988) 7.192 3.935 ( 1.630 -1.596 -4.734) 5.255 3.935 ( 1.630 1.596 -4.734) 5.255 4.101 ( 0.298 -2.338 1.410) 2.747 4.101 ( 0.298 2.338 1.410) 2.747 4.312 ( 6.594 -5.700 -1.393) 8.827 4.312 ( 6.594 5.700 -1.393) 8.827 4.407 ( 7.124 -3.240 -1.443) 7.958 4.407 ( 7.124 3.240 -1.443) 7.958 4.572 ( 4.796 -1.363 1.950) 5.354 4.572 ( 4.796 1.363 1.950) 5.354 4.777 ( 5.337 -2.360 -1.122) 5.943 4.777 ( 5.337 2.360 -1.122) 5.943 4.873 ( -0.429 -1.863 -1.258) 2.289 4.873 ( -0.429 1.863 -1.258) 2.289 5.103 ( 7.378 -5.276 2.927) 9.531 5.103 ( 7.378 5.276 2.927) 9.531 5.319 ( 3.771 -2.706 -0.991) 4.746 5.319 ( 3.771 2.706 -0.991) 4.746 5.577 ( 0.248 -2.246 -0.294) 2.279 5.577 ( 0.248 2.246 -0.294) 2.279 5.767 ( 6.351 -2.268 0.139) 6.746 5.767 ( 6.351 2.268 0.139) 6.746 5.886 ( 1.688 -2.194 -1.415) 3.109 5.886 ( 1.688 2.194 -1.415) 3.109 5.972 ( 6.885 -7.870 1.234) 10.529 5.972 ( 6.885 7.870 1.234) 10.529 6.135 ( 7.868 -4.223 -0.162) 8.931 6.135 ( 7.868 4.223 -0.162) 8.931 6.320 ( -2.722 -9.394 -1.884) 9.961 6.320 ( -2.722 9.394 -1.884) 9.961 6.412 ( 1.548 -3.308 -4.994) 6.187 6.412 ( 1.548 3.308 -4.994) 6.187 6.685 ( 1.114 -9.042 2.463) 9.437 6.685 ( 1.114 9.042 2.463) 9.437 6.857 ( 1.906 -3.821 -5.394) 6.880 6.857 ( 1.906 3.821 -5.394) 6.880 7.047 ( 1.999 -4.261 0.032) 4.707 7.047 ( 1.999 4.261 0.032) 4.707 7.104 ( 2.127 -4.195 4.580) 6.565 7.104 ( 2.127 4.195 4.580) 6.565 7.264 ( -1.304 -5.900 -4.976) 7.828 7.264 ( -1.304 5.900 -4.976) 7.828 7.398 ( 3.230 -4.134 5.445) 7.561 7.398 ( 3.230 4.134 5.445) 7.561 7.527 ( 0.161 -3.177 -3.901) 5.034 7.527 ( 0.161 3.177 -3.901) 5.034 7.649 ( 0.206 -2.339 3.619) 4.314 7.649 ( 0.206 2.339 3.619) 4.314 7.820 ( -0.838 -5.644 1.236) 5.838 7.820 ( -0.838 5.644 1.236) 5.838 7.876 ( 1.641 -1.519 0.028) 2.237 7.876 ( 1.641 1.519 0.028) 2.237 8.110 ( 4.555 -4.926 -0.689) 6.744 8.110 ( 4.555 4.926 -0.689) 6.744 8.177 ( 2.483 -4.577 -2.961) 5.990 8.177 ( 2.483 4.577 -2.961) 5.990 8.399 ( 2.012 -7.038 -2.271) 7.665 8.399 ( 2.012 7.038 -2.271) 7.665 8.618 ( -2.046 -3.339 3.441) 5.213 8.618 ( -2.046 3.339 3.441) 5.213 8.791 ( 0.293 -5.342 -8.240) 9.825 8.791 ( 0.293 5.342 -8.240) 9.825 8.873 ( 1.590 -4.016 5.968) 7.367 8.873 ( 1.590 4.016 5.968) 7.367 8.927 ( -2.573 -2.586 -0.770) 3.728 8.927 ( -2.573 2.586 -0.770) 3.728 9.049 ( 1.006 -0.574 -2.294) 2.570 9.049 ( 1.006 0.574 -2.294) 2.570 9.296 ( -0.588 -2.797 -1.663) 3.307 9.296 ( -0.588 2.797 -1.663) 3.307 9.451 ( -3.269 -3.600 -4.346) 6.522 9.451 ( -3.269 3.600 -4.346) 6.522 9.590 ( -2.405 -3.150 5.078) 6.442 9.590 ( -2.405 3.150 5.078) 6.442 9.661 ( -1.025 -1.509 1.140) 2.152 9.661 ( -1.025 1.509 1.140) 2.152 9.929 ( -1.747 -0.870 -3.060) 3.629 9.929 ( -1.747 0.870 -3.060) 3.629 9.988 ( -4.391 -4.498 0.469) 6.303 9.988 ( -4.391 4.498 0.469) 6.303 10.167 ( -0.207 -4.949 1.695) 5.235 10.167 ( -0.207 4.949 1.695) 5.235 10.355 ( 0.415 -4.493 0.024) 4.513 10.355 ( 0.415 4.493 0.024) 4.513 10.708 ( -7.348 -6.647 2.727) 10.277 10.708 ( -7.348 6.647 2.727) 10.277 10.820 ( -6.549 -5.728 1.182) 8.780 10.820 ( -6.549 5.728 1.182) 8.780 11.224 ( -4.011 -3.118 2.089) 5.493 11.224 ( -4.011 3.118 2.089) 5.493 11.435 ( -4.531 -2.223 3.282) 6.020 11.435 ( -4.531 2.223 3.282) 6.020 11.783 ( -4.224 -6.960 1.588) 8.294 11.783 ( -4.224 6.960 1.588) 8.294 12.079 ( -2.992 -10.986 -2.137) 11.585 12.079 ( -2.992 10.986 -2.137) 11.585 12.569 ( 6.609 -4.459 3.527) 8.718 12.569 ( 6.609 4.459 3.527) 8.718 12.733 ( 5.803 -5.613 -0.292) 8.079 12.733 ( 5.803 5.613 -0.292) 8.079 14.308 ( -3.749 -2.609 -1.759) 4.894 14.308 ( -3.749 2.609 -1.759) 4.894 14.601 ( -2.895 -2.333 -0.480) 3.749 14.601 ( -2.895 2.333 -0.480) 3.749 14.773 ( -15.793 -1.364 -0.978) 15.882 14.773 ( -15.793 1.364 -0.978) 15.882 15.004 ( 0.853 -2.930 -0.728) 3.137 15.004 ( 0.853 2.930 -0.728) 3.137 16.263 ( 1.312 -2.153 -1.361) 2.865 16.263 ( 1.312 2.153 -1.361) 2.865 16.823 ( -1.022 -4.492 -0.722) 4.663 16.823 ( -1.022 4.492 -0.722) 4.663 17.055 ( 0.258 -0.363 -0.362) 0.574 17.055 ( 0.258 0.363 -0.362) 0.574 17.251 ( 0.800 -2.372 -2.224) 3.348 17.251 ( 0.800 2.372 -2.224) 3.348 17.351 ( -1.097 -2.874 -5.454) 6.262 17.351 ( -1.097 2.874 -5.454) 6.262 17.453 ( -1.011 -3.831 5.490) 6.771 17.453 ( -1.011 3.831 5.490) 6.771 17.683 ( -1.769 -1.251 -1.534) 2.655 17.683 ( -1.769 1.251 -1.534) 2.655 17.857 ( 0.166 -0.150 0.602) 0.642 17.857 ( 0.166 0.150 0.602) 0.642 17.959 ( -2.087 -0.620 -3.512) 4.132 17.959 ( -2.087 0.620 -3.512) 4.132 18.039 ( -0.632 -2.520 3.347) 4.237 18.039 ( -0.632 2.520 3.347) 4.237 18.185 ( -1.912 -5.493 3.367) 6.721 18.185 ( -1.912 5.493 3.367) 6.721 18.393 ( 0.136 -7.240 -1.332) 7.363 18.393 ( 0.136 7.240 -1.332) 7.363 18.490 ( -1.672 -1.130 2.621) 3.307 18.490 ( -1.672 1.130 2.621) 3.307 18.787 ( -0.096 -1.883 0.407) 1.929 18.787 ( -0.096 1.883 0.407) 1.929 20.166 ( 9.805 -0.161 0.133) 9.808 20.166 ( 9.805 0.161 0.133) 9.808 20.184 ( 9.599 -0.454 0.302) 9.615 20.184 ( 9.599 0.454 0.302) 9.615 20.432 ( 32.707 -14.006 -4.014) 35.805 20.432 ( 32.707 14.006 -4.014) 35.805 22.113 ( -2.499 -0.642 0.697) 2.672 22.113 ( -2.499 0.642 0.697) 2.672 22.150 ( -3.077 -0.250 0.725) 3.171 22.150 ( -3.077 0.250 0.725) 3.171 22.173 ( -1.137 -0.444 -1.457) 1.900 22.173 ( -1.137 0.444 -1.457) 1.900 26.999 ( 0.210 -0.783 0.193) 0.833 26.999 ( 0.210 0.783 0.193) 0.833 27.113 ( 0.234 -0.121 -0.027) 0.265 27.113 ( 0.234 0.121 -0.027) 0.265 27.560 ( -0.604 -1.712 0.190) 1.826 27.560 ( -0.604 1.712 0.190) 1.826 27.642 ( -1.033 -0.079 -0.011) 1.036 27.642 ( -1.033 0.079 -0.011) 1.036 27.859 ( 0.149 -1.545 -0.003) 1.552 27.859 ( 0.149 1.545 -0.003) 1.552 28.028 ( -1.716 -0.540 0.358) 1.834 28.028 ( -1.716 0.540 0.358) 1.834 36.772 ( 2.347 -4.156 -2.178) 5.246 36.772 ( 2.347 4.156 -2.178) 5.246 36.984 ( 1.555 -0.712 0.895) 1.930 36.984 ( 1.555 0.712 0.895) 1.930 37.106 ( 1.785 -0.537 1.912) 2.670 37.106 ( 1.785 0.537 1.912) 2.670 37.176 ( 1.031 -2.127 7.844) 8.192 37.176 ( 1.031 2.127 7.844) 8.192 37.430 ( 3.231 -2.457 -1.942) 4.500 37.430 ( 3.231 2.457 -1.942) 4.500 37.899 ( 0.641 -3.120 4.096) 5.188 37.899 ( 0.641 3.120 4.096) 5.188 38.189 ( 3.832 -4.254 -0.867) 5.791 38.189 ( 3.832 4.254 -0.867) 5.791 38.726 ( -4.552 -22.353 -5.929) 23.570 38.726 ( -4.552 22.353 -5.929) 23.570 38.884 ( -1.902 -15.888 -2.329) 16.170 38.884 ( -1.902 15.888 -2.329) 16.170 40.214 ( -12.735 -6.778 2.796) 14.695 40.214 ( -12.735 6.778 2.796) 14.695 40.563 ( -22.036 -13.959 -1.501) 26.128 40.563 ( -22.036 13.959 -1.501) 26.128 40.772 ( -32.834 -7.241 2.999) 33.756 40.772 ( -32.834 7.241 2.999) 33.756 ======================= Grid point 26 (15/96) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 16.385 -12.630 7.906) 22.147 1.240 ( 16.385 12.630 7.906) 22.147 1.589 ( 14.081 -19.799 12.819) 27.470 1.589 ( 14.081 19.799 12.819) 27.470 2.258 ( 2.931 -0.625 -3.475) 4.589 2.258 ( 2.931 0.625 -3.475) 4.589 2.588 ( 0.514 -3.667 0.115) 3.705 2.588 ( 0.514 3.667 0.115) 3.705 2.829 ( 5.006 -14.624 7.885) 17.352 2.829 ( 5.006 14.624 7.885) 17.352 2.954 ( -4.131 -4.209 -7.344) 9.419 2.954 ( -4.131 4.209 -7.344) 9.419 3.038 ( 0.126 -10.386 0.819) 10.419 3.038 ( 0.126 10.386 0.819) 10.419 3.328 ( -2.687 -6.625 -0.549) 7.170 3.328 ( -2.687 6.625 -0.549) 7.170 3.503 ( 4.238 -8.145 8.147) 12.275 3.503 ( 4.238 8.145 8.147) 12.275 3.656 ( -5.813 -5.908 3.688) 9.072 3.656 ( -5.813 5.908 3.688) 9.072 3.935 ( 4.977 -5.376 -9.277) 11.821 3.935 ( 4.977 5.376 -9.277) 11.821 4.098 ( -1.642 -1.431 1.176) 2.475 4.098 ( -1.642 1.431 1.176) 2.475 4.353 ( 0.937 -3.883 -2.126) 4.525 4.353 ( 0.937 3.883 -2.126) 4.525 4.579 ( 8.384 -4.575 -0.541) 9.566 4.579 ( 8.384 4.575 -0.541) 9.566 4.659 ( 4.744 -4.174 -4.169) 7.571 4.659 ( 4.744 4.174 -4.169) 7.571 4.809 ( 2.631 -3.752 -2.918) 5.433 4.809 ( 2.631 3.752 -2.918) 5.433 4.945 ( 8.513 -1.882 -0.115) 8.720 4.945 ( 8.513 1.882 -0.115) 8.720 5.261 ( 6.334 -4.510 5.544) 9.549 5.261 ( 6.334 4.510 5.544) 9.549 5.404 ( 6.773 -4.989 -1.785) 8.599 5.404 ( 6.773 4.989 -1.785) 8.599 5.643 ( 5.390 -4.629 3.988) 8.148 5.643 ( 5.390 4.629 3.988) 8.148 5.825 ( 2.657 -3.490 -4.716) 6.441 5.825 ( 2.657 3.490 -4.716) 6.441 5.911 ( 2.872 -2.956 -1.588) 4.416 5.911 ( 2.872 2.956 -1.588) 4.416 6.106 ( 2.586 -9.235 2.345) 9.873 6.106 ( 2.586 9.235 2.345) 9.873 6.245 ( 0.131 -8.491 -1.168) 8.572 6.245 ( 0.131 8.491 -1.168) 8.572 6.318 ( 9.442 -10.052 -0.597) 13.804 6.318 ( 9.442 10.052 -0.597) 13.804 6.454 ( 8.325 -0.887 -4.219) 9.375 6.454 ( 8.325 0.887 -4.219) 9.375 6.756 ( 5.413 -10.495 1.865) 11.955 6.756 ( 5.413 10.495 1.865) 11.955 6.899 ( 6.214 -5.932 -3.869) 9.422 6.899 ( 6.214 5.932 -3.869) 9.422 7.051 ( -4.477 -6.622 1.283) 8.095 7.051 ( -4.477 6.622 1.283) 8.095 7.159 ( 5.132 -2.292 -3.567) 6.657 7.159 ( 5.132 2.292 -3.567) 6.657 7.248 ( 2.717 -6.200 2.863) 7.350 7.248 ( 2.717 6.200 2.863) 7.350 7.463 ( 1.160 -2.317 0.667) 2.676 7.463 ( 1.160 2.317 0.667) 2.676 7.583 ( 5.994 -1.161 2.753) 6.697 7.583 ( 5.994 1.161 2.753) 6.697 7.665 ( 0.048 -6.016 3.289) 6.857 7.665 ( 0.048 6.016 3.289) 6.857 7.836 ( 1.809 -2.227 1.091) 3.070 7.836 ( 1.809 2.227 1.091) 3.070 7.940 ( 4.219 -4.537 1.167) 6.304 7.940 ( 4.219 4.537 1.167) 6.304 8.139 ( 3.698 -1.727 -6.578) 7.741 8.139 ( 3.698 1.727 -6.578) 7.741 8.250 ( 4.444 -4.404 1.311) 6.393 8.250 ( 4.444 4.404 1.311) 6.393 8.389 ( 0.341 -7.239 -4.727) 8.653 8.389 ( 0.341 7.239 -4.727) 8.653 8.627 ( -0.806 -3.566 3.187) 4.850 8.627 ( -0.806 3.566 3.187) 4.850 8.724 ( -0.199 -3.612 -8.970) 9.672 8.724 ( -0.199 3.612 -8.970) 9.672 8.849 ( -3.661 -0.200 -0.891) 3.773 8.849 ( -3.661 0.200 -0.891) 3.773 8.971 ( 2.461 -4.741 5.397) 7.593 8.971 ( 2.461 4.741 5.397) 7.593 9.057 ( 1.417 -1.173 -0.883) 2.041 9.057 ( 1.417 1.173 -0.883) 2.041 9.247 ( -4.019 -5.299 -5.605) 8.698 9.247 ( -4.019 5.299 -5.605) 8.698 9.347 ( -4.388 -2.280 -0.751) 5.002 9.347 ( -4.388 2.280 -0.751) 5.002 9.542 ( -5.808 -5.286 3.396) 8.556 9.542 ( -5.808 5.286 3.396) 8.556 9.623 ( -3.481 -0.201 -1.094) 3.655 9.623 ( -3.481 0.201 -1.094) 3.655 9.829 ( -7.914 -4.910 -1.077) 9.375 9.829 ( -7.914 4.910 -1.077) 9.375 9.951 ( 0.855 -2.894 -0.921) 3.156 9.951 ( 0.855 2.894 -0.921) 3.156 10.141 ( -5.042 -6.826 1.299) 8.585 10.141 ( -5.042 6.826 1.299) 8.585 10.313 ( -5.220 -6.946 -0.444) 8.700 10.313 ( -5.220 6.946 -0.444) 8.700 10.620 ( -7.003 -3.229 3.457) 8.451 10.620 ( -7.003 3.229 3.457) 8.451 10.714 ( -5.383 -3.383 3.966) 7.494 10.714 ( -5.383 3.383 3.966) 7.494 11.106 ( -10.813 -1.724 2.688) 11.275 11.106 ( -10.813 1.724 2.688) 11.275 11.358 ( -5.814 -2.247 1.539) 6.420 11.358 ( -5.814 2.247 1.539) 6.420 11.768 ( -2.100 -4.765 3.974) 6.550 11.768 ( -2.100 4.765 3.974) 6.550 11.941 ( -7.140 -9.569 -3.047) 12.322 11.941 ( -7.140 9.569 -3.047) 12.322 12.631 ( 1.832 -4.294 -3.283) 5.707 12.631 ( 1.832 4.294 -3.283) 5.707 12.925 ( 9.920 -9.515 5.186) 14.691 12.925 ( 9.920 9.515 5.186) 14.691 14.202 ( -7.406 -1.859 -0.804) 7.678 14.202 ( -7.406 1.859 -0.804) 7.678 14.385 ( -12.108 -6.285 -5.190) 14.596 14.385 ( -12.108 6.285 -5.190) 14.596 14.667 ( -1.015 -1.548 2.666) 3.245 14.667 ( -1.015 1.548 2.666) 3.245 15.011 ( -0.217 -2.877 0.601) 2.947 15.011 ( -0.217 2.877 0.601) 2.947 16.281 ( 1.943 -1.410 -1.721) 2.954 16.281 ( 1.943 1.410 -1.721) 2.954 16.807 ( 0.164 -1.319 -1.267) 1.836 16.807 ( 0.164 1.319 -1.267) 1.836 17.057 ( 0.679 -0.845 -1.252) 1.656 17.057 ( 0.679 0.845 -1.252) 1.656 17.243 ( 0.581 -3.403 -3.124) 4.656 17.243 ( 0.581 3.403 -3.124) 4.656 17.322 ( 0.791 -3.925 -1.518) 4.282 17.322 ( 0.791 3.925 -1.518) 4.282 17.480 ( 0.168 -3.954 3.858) 5.527 17.480 ( 0.168 3.954 3.858) 5.527 17.644 ( -1.361 -1.258 -1.428) 2.339 17.644 ( -1.361 1.258 -1.428) 2.339 17.863 ( -0.510 -1.073 0.509) 1.292 17.863 ( -0.510 1.073 0.509) 1.292 17.884 ( -2.159 -1.201 -4.814) 5.411 17.884 ( -2.159 1.201 -4.814) 5.411 18.067 ( -0.043 -5.059 5.159) 7.226 18.067 ( -0.043 5.059 5.159) 7.226 18.171 ( -2.754 -6.061 4.056) 7.796 18.171 ( -2.754 6.061 4.056) 7.796 18.395 ( 1.631 -3.577 -3.142) 5.033 18.395 ( 1.631 3.577 -3.142) 5.033 18.484 ( -1.779 -1.419 4.257) 4.827 18.484 ( -1.779 1.419 4.257) 4.827 18.792 ( 0.084 -1.229 0.781) 1.458 18.792 ( 0.084 1.229 0.781) 1.458 20.405 ( 16.603 -0.188 0.456) 16.610 20.405 ( 16.603 0.188 0.456) 16.610 20.424 ( 16.749 -0.308 1.107) 16.788 20.424 ( 16.749 0.308 1.107) 16.788 20.928 ( 27.812 -19.373 -9.982) 35.333 20.928 ( 27.812 19.373 -9.982) 35.333 22.054 ( -5.116 -0.689 0.761) 5.218 22.054 ( -5.116 0.689 0.761) 5.218 22.083 ( -5.400 -0.548 1.534) 5.641 22.083 ( -5.400 0.548 1.534) 5.641 22.117 ( -3.858 -0.891 -2.404) 4.633 22.117 ( -3.858 0.891 -2.404) 4.633 27.006 ( 0.273 -0.861 0.312) 0.956 27.006 ( 0.273 0.861 0.312) 0.956 27.119 ( 0.465 -0.114 -0.048) 0.481 27.119 ( 0.465 0.114 -0.048) 0.481 27.548 ( -0.923 -1.584 0.283) 1.855 27.548 ( -0.923 1.584 0.283) 1.855 27.620 ( -1.280 -0.228 -0.165) 1.311 27.620 ( -1.280 0.228 -0.165) 1.311 27.863 ( 0.267 -0.905 0.002) 0.944 27.863 ( 0.267 0.905 0.002) 0.944 27.996 ( -2.273 -0.373 0.575) 2.374 27.996 ( -2.273 0.373 0.575) 2.374 36.811 ( 4.134 -4.346 -2.829) 6.632 36.811 ( 4.134 4.346 -2.829) 6.632 37.036 ( 2.433 -0.424 2.872) 3.788 37.036 ( 2.433 0.424 2.872) 3.788 37.163 ( 3.252 -0.334 1.945) 3.804 37.163 ( 3.252 0.334 1.945) 3.804 37.283 ( 2.134 -2.705 13.100) 13.546 37.283 ( 2.134 2.705 13.100) 13.546 37.490 ( 5.726 -2.275 -3.242) 6.963 37.490 ( 5.726 2.275 -3.242) 6.963 37.960 ( 2.357 -4.331 5.029) 7.043 37.960 ( 2.357 4.331 5.029) 7.043 38.279 ( 7.000 -2.693 -0.925) 7.557 38.279 ( 7.000 2.693 -0.925) 7.557 38.556 ( -7.538 -15.006 -9.963) 19.527 38.556 ( -7.538 15.006 -9.963) 19.527 38.816 ( -2.940 -15.830 -3.782) 16.539 38.816 ( -2.940 15.830 -3.782) 16.539 39.792 ( -35.868 -26.903 9.034) 45.737 39.792 ( -35.868 26.903 9.034) 45.737 40.117 ( -19.246 -13.787 -0.718) 23.686 40.117 ( -19.246 13.787 -0.718) 23.686 40.391 ( -21.554 -6.135 3.812) 22.732 40.391 ( -21.554 6.135 3.812) 22.732 ======================= Grid point 28 (16/96) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 18.074 -7.214 15.078) 24.618 1.650 ( 18.074 7.214 15.078) 24.618 1.937 ( 14.294 -12.858 11.240) 22.270 1.937 ( 14.294 12.858 11.240) 22.270 2.270 ( 2.058 -3.086 0.791) 3.793 2.270 ( 2.058 3.086 0.791) 3.793 2.555 ( -1.024 -6.490 -9.103) 11.226 2.555 ( -1.024 6.490 -9.103) 11.226 2.776 ( -3.921 -3.884 -3.456) 6.512 2.776 ( -3.921 3.884 -3.456) 6.512 2.911 ( -2.711 -4.665 1.670) 5.648 2.911 ( -2.711 4.665 1.670) 5.648 3.051 ( -4.390 -2.841 6.552) 8.382 3.051 ( -4.390 2.841 6.552) 8.382 3.372 ( 5.786 -8.674 -0.599) 10.444 3.372 ( 5.786 8.674 -0.599) 10.444 3.534 ( -6.577 -7.848 1.207) 10.311 3.534 ( -6.577 7.848 1.207) 10.311 3.728 ( 10.619 -1.827 6.623) 12.648 3.728 ( 10.619 1.827 6.623) 12.648 3.910 ( -2.304 -2.056 -8.710) 9.241 3.910 ( -2.304 2.056 -8.710) 9.241 4.094 ( 2.371 -7.249 0.299) 7.633 4.094 ( 2.371 7.249 0.299) 7.633 4.343 ( -0.525 -4.833 -3.571) 6.032 4.343 ( -0.525 4.833 -3.571) 6.032 4.551 ( -1.578 -3.023 -5.072) 6.111 4.551 ( -1.578 3.023 -5.072) 6.111 4.778 ( 5.836 -3.077 -0.094) 6.598 4.778 ( 5.836 3.077 -0.094) 6.598 4.867 ( 5.771 -5.197 -3.399) 8.478 4.867 ( 5.771 5.197 -3.399) 8.478 5.111 ( 10.210 -0.997 -1.019) 10.309 5.111 ( 10.210 0.997 -1.019) 10.309 5.383 ( 3.137 -1.328 3.641) 4.986 5.383 ( 3.137 1.328 3.641) 4.986 5.523 ( 7.062 -4.112 0.701) 8.201 5.523 ( 7.062 4.112 0.701) 8.201 5.758 ( 2.195 -3.349 -0.386) 4.023 5.758 ( 2.195 3.349 -0.386) 4.023 5.836 ( 3.278 -1.713 -1.426) 3.964 5.836 ( 3.278 1.713 -1.426) 3.964 5.967 ( 4.323 -6.058 2.265) 7.780 5.967 ( 4.323 6.058 2.265) 7.780 6.087 ( -2.599 -5.879 -1.959) 6.719 6.087 ( -2.599 5.879 -1.959) 6.719 6.235 ( -0.667 -5.792 3.989) 7.065 6.235 ( -0.667 5.792 3.989) 7.065 6.533 ( 8.459 -2.662 -1.449) 8.985 6.533 ( 8.459 2.662 -1.449) 8.985 6.601 ( 12.912 -7.037 -2.295) 14.883 6.601 ( 12.912 7.037 -2.295) 14.883 6.852 ( 2.606 -8.968 -0.233) 9.342 6.852 ( 2.606 8.968 -0.233) 9.342 6.950 ( -0.990 -2.640 -3.668) 4.626 6.950 ( -0.990 2.640 -3.668) 4.626 7.032 ( 7.100 -9.165 3.587) 12.136 7.032 ( 7.100 9.165 3.587) 12.136 7.224 ( 5.276 -4.157 -3.923) 7.779 7.224 ( 5.276 4.157 -3.923) 7.779 7.362 ( 5.130 -6.104 4.974) 9.397 7.362 ( 5.130 6.104 4.974) 9.397 7.530 ( 5.364 -4.532 3.220) 7.725 7.530 ( 5.364 4.532 3.220) 7.725 7.703 ( 0.453 -5.128 4.405) 6.776 7.703 ( 0.453 5.128 4.405) 6.776 7.732 ( 10.033 -1.501 -0.202) 10.146 7.732 ( 10.033 1.501 -0.202) 10.146 7.899 ( 3.301 -2.145 2.306) 4.563 7.899 ( 3.301 2.145 2.306) 4.563 8.006 ( 3.904 -3.826 -1.329) 5.626 8.006 ( 3.904 3.826 -1.329) 5.626 8.175 ( 3.576 -2.338 -2.484) 4.942 8.175 ( 3.576 2.338 -2.484) 4.942 8.296 ( 3.209 -1.731 -7.410) 8.258 8.296 ( 3.209 1.731 -7.410) 8.258 8.386 ( 1.907 -1.318 -0.277) 2.334 8.386 ( 1.907 1.318 -0.277) 2.334 8.614 ( -1.180 -5.561 -2.636) 6.266 8.614 ( -1.180 5.561 -2.636) 6.266 8.665 ( -0.773 -2.678 -2.961) 4.066 8.665 ( -0.773 2.678 -2.961) 4.066 8.778 ( -4.353 -0.300 0.267) 4.372 8.778 ( -4.353 0.300 0.267) 4.372 9.001 ( -6.534 -2.051 0.806) 6.896 9.001 ( -6.534 2.051 0.806) 6.896 9.069 ( -2.178 -1.949 -0.477) 2.961 9.069 ( -2.178 1.949 -0.477) 2.961 9.099 ( 0.002 -0.945 -2.926) 3.075 9.099 ( 0.002 0.945 -2.926) 3.075 9.312 ( -1.650 -1.544 0.457) 2.305 9.312 ( -1.650 1.544 0.457) 2.305 9.464 ( -4.979 -4.395 3.758) 7.631 9.464 ( -4.979 4.395 3.758) 7.631 9.548 ( -2.872 -1.013 -2.213) 3.765 9.548 ( -2.872 1.013 -2.213) 3.765 9.678 ( -7.623 -4.963 -1.697) 9.253 9.678 ( -7.623 4.963 -1.697) 9.253 9.918 ( -7.286 -0.656 -0.710) 7.350 9.918 ( -7.286 0.656 -0.710) 7.350 10.040 ( -3.632 -3.077 -0.214) 4.765 10.040 ( -3.632 3.077 -0.214) 4.765 10.216 ( -6.110 -5.282 2.632) 8.495 10.216 ( -6.110 5.282 2.632) 8.495 10.473 ( -9.106 -2.143 0.634) 9.376 10.473 ( -9.106 2.143 0.634) 9.376 10.666 ( -5.823 -5.316 -0.022) 7.884 10.666 ( -5.823 5.316 -0.022) 7.884 10.956 ( -7.895 -2.932 6.250) 10.488 10.956 ( -7.895 2.932 6.250) 10.488 11.266 ( -4.051 -3.217 -1.868) 5.500 11.266 ( -4.051 3.217 -1.868) 5.500 11.653 ( -9.335 -6.081 -2.019) 11.322 11.653 ( -9.335 6.081 -2.019) 11.322 11.921 ( 1.219 -3.290 6.644) 7.513 11.921 ( 1.219 3.290 6.644) 7.513 12.627 ( 1.542 -1.729 -4.914) 5.433 12.627 ( 1.542 1.729 -4.914) 5.433 13.068 ( 2.569 -9.503 2.221) 10.092 13.068 ( 2.569 9.503 2.221) 10.092 14.059 ( -6.885 -2.403 0.988) 7.359 14.059 ( -6.885 2.403 0.988) 7.359 14.229 ( -3.158 -7.067 -4.177) 8.795 14.229 ( -3.158 7.067 -4.177) 8.795 14.683 ( 0.263 -2.421 2.672) 3.615 14.683 ( 0.263 2.421 2.672) 3.615 15.002 ( -1.264 -3.692 0.308) 3.915 15.002 ( -1.264 3.692 0.308) 3.915 16.303 ( 1.849 -0.543 -1.365) 2.362 16.303 ( 1.849 0.543 -1.365) 2.362 16.806 ( 0.788 -0.670 -1.459) 1.788 16.806 ( 0.788 0.670 -1.459) 1.788 17.061 ( 0.911 -1.137 -1.485) 2.081 17.061 ( 0.911 1.137 -1.485) 2.081 17.231 ( 0.373 -3.830 -2.037) 4.354 17.231 ( 0.373 3.830 -2.037) 4.354 17.341 ( 1.672 -4.181 -0.196) 4.507 17.341 ( 1.672 4.181 -0.196) 4.507 17.514 ( 0.600 -2.999 3.299) 4.498 17.514 ( 0.600 2.999 3.299) 4.498 17.616 ( -0.723 -1.773 -1.303) 2.316 17.616 ( -0.723 1.773 -1.303) 2.316 17.791 ( -3.668 -2.712 -3.251) 5.602 17.791 ( -3.668 2.712 -3.251) 5.602 17.875 ( 1.024 -1.190 -1.147) 1.945 17.875 ( 1.024 1.190 -1.147) 1.945 18.100 ( -0.951 -2.984 4.399) 5.400 18.100 ( -0.951 2.984 4.399) 5.400 18.158 ( -1.452 -3.773 3.749) 5.514 18.158 ( -1.452 3.773 3.749) 5.514 18.392 ( 0.726 -2.012 -3.429) 4.042 18.392 ( 0.726 2.012 -3.429) 4.042 18.493 ( -0.710 -2.529 3.845) 4.657 18.493 ( -0.710 2.529 3.845) 4.657 18.800 ( 0.147 -0.641 0.824) 1.054 18.800 ( 0.147 0.641 0.824) 1.054 20.730 ( 19.602 -1.403 0.188) 19.653 20.730 ( 19.602 1.403 0.188) 19.653 20.767 ( 19.931 -1.146 2.946) 20.180 20.767 ( 19.931 1.146 2.946) 20.180 21.257 ( 19.226 -14.451 -10.993) 26.445 21.257 ( 19.226 14.451 -10.993) 26.445 21.938 ( -8.059 -0.298 -0.696) 8.094 21.938 ( -8.059 0.298 -0.696) 8.094 21.991 ( -7.429 -1.352 3.888) 8.493 21.991 ( -7.429 1.352 3.888) 8.493 21.997 ( -7.385 -1.323 -3.467) 8.265 21.997 ( -7.385 1.323 -3.467) 8.265 27.012 ( 0.180 -0.770 0.303) 0.847 27.012 ( 0.180 0.770 0.303) 0.847 27.128 ( 0.514 -0.096 -0.072) 0.528 27.128 ( 0.514 0.096 -0.072) 0.528 27.534 ( -0.806 -1.266 0.305) 1.531 27.534 ( -0.806 1.266 0.305) 1.531 27.597 ( -1.078 -0.585 -0.393) 1.288 27.597 ( -1.078 0.585 -0.393) 1.288 27.868 ( 0.335 -0.253 -0.067) 0.426 27.868 ( 0.335 0.253 -0.067) 0.426 27.962 ( -2.014 -0.324 0.606) 2.129 27.962 ( -2.014 0.324 0.606) 2.129 36.870 ( 4.750 -3.456 -2.694) 6.463 36.870 ( 4.750 3.456 -2.694) 6.463 37.091 ( 1.118 -1.976 2.646) 3.486 37.091 ( 1.118 1.976 2.646) 3.486 37.260 ( 4.906 -1.300 5.166) 7.242 37.260 ( 4.906 1.300 5.166) 7.242 37.432 ( 3.098 -4.917 12.935) 14.181 37.432 ( 3.098 4.917 12.935) 14.181 37.577 ( 6.789 -2.930 -3.105) 8.020 37.577 ( 6.789 2.930 -3.105) 8.020 38.052 ( 4.913 -6.364 1.967) 8.277 38.052 ( 4.913 6.364 1.967) 8.277 38.328 ( -6.244 -7.875 -9.115) 13.568 38.328 ( -6.244 7.875 -9.115) 13.568 38.424 ( 6.789 -1.489 -1.031) 7.026 38.424 ( 6.789 1.489 -1.031) 7.026 38.743 ( -1.469 -11.289 -4.095) 12.099 38.743 ( -1.469 11.289 -4.095) 12.099 39.322 ( -24.838 -24.663 9.713) 36.325 39.322 ( -24.838 24.663 9.713) 36.325 39.752 ( -21.865 -9.377 -3.044) 23.985 39.752 ( -21.865 9.377 -3.044) 23.985 40.036 ( -21.847 -7.041 4.844) 23.459 40.036 ( -21.847 7.041 4.844) 23.459 ======================= Grid point 30 (17/96) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 9.637 -5.160 8.484) 13.837 2.000 ( 9.637 5.160 8.484) 13.837 2.237 ( 10.963 -5.423 12.930) 17.798 2.237 ( 10.963 5.423 12.930) 17.798 2.370 ( 2.378 -1.901 1.001) 3.205 2.370 ( 2.378 1.901 1.001) 3.205 2.454 ( 1.969 -0.985 -5.170) 5.619 2.454 ( 1.969 0.985 -5.170) 5.619 2.696 ( -2.751 -4.331 -8.009) 9.512 2.696 ( -2.751 4.331 -8.009) 9.512 2.881 ( -2.460 -0.282 3.417) 4.220 2.881 ( -2.460 0.282 3.417) 4.220 3.012 ( -3.123 -1.914 5.484) 6.595 3.012 ( -3.123 1.914 5.484) 6.595 3.401 ( -2.843 -3.845 -1.050) 4.896 3.401 ( -2.843 3.845 -1.050) 4.896 3.499 ( 1.437 -12.370 2.196) 12.645 3.499 ( 1.437 12.370 2.196) 12.645 3.697 ( -6.676 -2.320 -10.454) 12.619 3.697 ( -6.676 2.320 -10.454) 12.619 3.956 ( 5.108 -1.755 3.713) 6.554 3.956 ( 5.108 1.755 3.713) 6.554 4.165 ( 3.199 -7.077 -0.517) 7.784 4.165 ( 3.199 7.077 -0.517) 7.784 4.272 ( -1.346 -7.951 -4.125) 9.058 4.272 ( -1.346 7.951 -4.125) 9.058 4.550 ( 2.589 -2.199 -0.837) 3.498 4.550 ( 2.589 2.199 -0.837) 3.498 4.831 ( 0.973 -4.273 0.133) 4.384 4.831 ( 0.973 4.273 0.133) 4.384 4.940 ( 4.951 -4.691 -3.444) 7.641 4.940 ( 4.951 4.691 -3.444) 7.641 5.267 ( 7.608 -2.651 -0.171) 8.058 5.267 ( 7.608 2.651 -0.171) 8.058 5.425 ( -0.645 -1.877 2.797) 3.430 5.425 ( -0.645 1.877 2.797) 3.430 5.640 ( 4.632 -1.457 0.508) 4.882 5.640 ( 4.632 1.457 0.508) 4.882 5.730 ( -0.896 -2.039 -3.679) 4.300 5.730 ( -0.896 2.039 -3.679) 4.300 5.871 ( 1.293 -1.041 -1.691) 2.370 5.871 ( 1.293 1.041 -1.691) 2.370 6.031 ( -1.923 -2.087 0.999) 3.008 6.031 ( -1.923 2.087 0.999) 3.008 6.111 ( 5.632 -5.279 3.924) 8.660 6.111 ( 5.632 5.279 3.924) 8.660 6.277 ( 1.577 -7.286 6.028) 9.587 6.277 ( 1.577 7.286 6.028) 9.587 6.582 ( 1.191 -5.633 -3.606) 6.793 6.582 ( 1.191 5.633 -3.606) 6.793 6.742 ( 2.836 -2.653 -1.440) 4.142 6.742 ( 2.836 2.653 -1.440) 4.142 6.833 ( -3.225 -3.636 0.768) 4.920 6.833 ( -3.225 3.636 0.768) 4.920 6.963 ( 4.012 -2.296 -4.553) 6.488 6.963 ( 4.012 2.296 -4.553) 6.488 7.232 ( 11.917 -3.974 2.029) 12.725 7.232 ( 11.917 3.974 2.029) 12.725 7.335 ( 8.624 -6.498 1.911) 10.966 7.335 ( 8.624 6.498 1.911) 10.966 7.480 ( 3.695 -5.533 5.556) 8.668 7.480 ( 3.695 5.533 5.556) 8.668 7.624 ( 1.077 -1.756 1.579) 2.596 7.624 ( 1.077 1.756 1.579) 2.596 7.721 ( 0.274 -1.694 -0.312) 1.744 7.721 ( 0.274 1.694 -0.312) 1.744 7.886 ( 5.124 -1.411 -1.075) 5.423 7.886 ( 5.124 1.411 -1.075) 5.423 7.996 ( 6.376 -1.936 3.483) 7.519 7.996 ( 6.376 1.936 3.483) 7.519 8.092 ( 6.146 -2.991 -3.786) 7.813 8.092 ( 6.146 2.991 -3.786) 7.813 8.202 ( 1.494 -2.794 -0.577) 3.220 8.202 ( 1.494 2.794 -0.577) 3.220 8.268 ( 1.368 -3.776 -4.735) 6.209 8.268 ( 1.368 3.776 -4.735) 6.209 8.448 ( 3.526 -2.430 -0.903) 4.377 8.448 ( 3.526 2.430 -0.903) 4.377 8.546 ( -3.917 -2.240 -1.792) 4.855 8.546 ( -3.917 2.240 -1.792) 4.855 8.632 ( -1.910 -3.464 -3.007) 4.969 8.632 ( -1.910 3.464 -3.007) 4.969 8.692 ( -5.829 -1.172 -0.381) 5.958 8.692 ( -5.829 1.172 -0.381) 5.958 8.847 ( -5.555 -3.177 2.574) 6.897 8.847 ( -5.555 3.177 2.574) 6.897 9.029 ( -1.234 -0.979 -1.347) 2.073 9.029 ( -1.234 0.979 -1.347) 2.073 9.149 ( 2.660 -6.497 1.078) 7.103 9.149 ( 2.660 6.497 1.078) 7.103 9.262 ( -2.943 -0.351 -0.646) 3.034 9.262 ( -2.943 0.351 -0.646) 3.034 9.415 ( -3.995 -4.781 1.328) 6.371 9.415 ( -3.995 4.781 1.328) 6.371 9.502 ( -2.623 -0.910 -2.667) 3.850 9.502 ( -2.623 0.910 -2.667) 3.850 9.563 ( -3.861 -3.038 2.272) 5.413 9.563 ( -3.861 3.038 2.272) 5.413 9.757 ( -5.228 -2.963 -2.506) 6.511 9.757 ( -5.228 2.963 -2.506) 6.511 9.971 ( -5.733 -2.779 -0.823) 6.424 9.971 ( -5.733 2.779 -0.823) 6.424 10.153 ( -2.269 -5.978 1.528) 6.574 10.153 ( -2.269 5.978 1.528) 6.574 10.358 ( -6.236 -3.187 4.521) 8.336 10.358 ( -6.236 3.187 4.521) 8.336 10.524 ( -5.523 -3.714 -4.697) 8.146 10.524 ( -5.523 3.714 -4.697) 8.146 10.904 ( -4.226 -2.627 4.773) 6.895 10.904 ( -4.226 2.627 4.773) 6.895 11.209 ( -0.193 -3.313 -2.897) 4.405 11.209 ( -0.193 3.313 -2.897) 4.405 11.503 ( -6.052 -2.456 -0.249) 6.536 11.503 ( -6.052 2.456 -0.249) 6.536 11.996 ( 1.225 -4.668 5.739) 7.499 11.996 ( 1.225 4.668 5.739) 7.499 12.618 ( 1.108 -0.753 -3.652) 3.890 12.618 ( 1.108 0.753 -3.652) 3.890 13.067 ( -1.857 -9.969 -0.565) 10.156 13.067 ( -1.857 9.969 -0.565) 10.156 14.002 ( -1.467 -5.144 1.755) 5.630 14.002 ( -1.467 5.144 1.755) 5.630 14.172 ( -1.013 -6.247 -2.378) 6.760 14.172 ( -1.013 6.247 -2.378) 6.760 14.710 ( 0.773 -2.577 1.870) 3.276 14.710 ( 0.773 2.577 1.870) 3.276 14.976 ( -1.497 -3.617 -0.213) 3.920 14.976 ( -1.497 3.617 -0.213) 3.920 16.322 ( 1.125 -0.371 -0.709) 1.381 16.322 ( 1.125 0.371 -0.709) 1.381 16.810 ( 0.573 -0.433 -0.978) 1.214 16.810 ( 0.573 0.433 -0.978) 1.214 17.066 ( 0.676 -0.918 -0.842) 1.417 17.066 ( 0.676 0.918 -0.842) 1.417 17.225 ( 0.195 -2.225 -1.024) 2.457 17.225 ( 0.195 2.225 -1.024) 2.457 17.367 ( 1.147 -2.783 0.042) 3.011 17.367 ( 1.147 2.783 0.042) 3.011 17.549 ( 0.521 -1.890 3.282) 3.823 17.549 ( 0.521 1.890 3.282) 3.823 17.603 ( 0.611 -2.300 -1.595) 2.865 17.603 ( 0.611 2.300 -1.595) 2.865 17.707 ( -3.407 -3.377 -2.384) 5.357 17.707 ( -3.407 3.377 -2.384) 5.357 17.887 ( 1.098 -0.750 -0.941) 1.629 17.887 ( 1.098 0.750 -0.941) 1.629 18.092 ( -2.005 -2.823 2.209) 4.107 18.092 ( -2.005 2.823 2.209) 4.107 18.181 ( 0.503 -3.079 2.919) 4.272 18.181 ( 0.503 3.079 2.919) 4.272 18.374 ( -0.191 -2.063 -2.182) 3.009 18.374 ( -0.191 2.063 -2.182) 3.009 18.510 ( -0.007 -2.968 1.908) 3.528 18.510 ( -0.007 2.968 1.908) 3.528 18.808 ( 0.101 -0.296 0.521) 0.607 18.808 ( 0.101 0.296 0.521) 0.607 21.073 ( 18.934 -1.405 -0.073) 18.986 21.073 ( 18.934 1.405 -0.073) 18.986 21.141 ( 19.043 -1.801 4.394) 19.626 21.141 ( 19.043 1.801 4.394) 19.626 21.443 ( 8.681 -7.806 -7.119) 13.674 21.443 ( 8.681 7.806 -7.119) 13.674 21.776 ( -8.208 -1.008 -3.533) 8.993 21.776 ( -8.208 1.008 -3.533) 8.993 21.807 ( -9.760 -0.880 -4.401) 10.742 21.807 ( -9.760 0.880 -4.401) 10.742 21.883 ( -9.099 -2.855 6.160) 11.353 21.883 ( -9.099 2.855 6.160) 11.353 27.016 ( 0.059 -0.535 0.177) 0.567 27.016 ( 0.059 0.535 0.177) 0.567 27.135 ( 0.331 -0.065 -0.056) 0.342 27.135 ( 0.331 0.065 -0.056) 0.342 27.525 ( -0.425 -0.915 0.224) 1.034 27.525 ( -0.425 0.915 0.224) 1.034 27.579 ( -0.625 -0.808 -0.371) 1.087 27.579 ( -0.625 0.808 -0.371) 1.087 27.872 ( 0.253 -0.590 -0.147) 0.658 27.872 ( 0.253 0.590 -0.147) 0.658 27.937 ( -1.188 -0.470 0.461) 1.358 27.937 ( -1.188 0.470 0.461) 1.358 36.929 ( 3.626 -1.981 -1.972) 4.578 36.929 ( 3.626 1.981 -1.972) 4.578 37.113 ( -0.381 -3.259 1.880) 3.782 37.113 ( -0.381 3.259 1.880) 3.782 37.402 ( 5.588 -3.159 7.219) 9.660 37.402 ( 5.588 3.159 7.219) 9.660 37.544 ( 1.600 -6.706 4.454) 8.208 37.544 ( 1.600 6.706 4.454) 8.208 37.668 ( 3.339 -2.991 -0.188) 4.487 37.668 ( 3.339 2.991 -0.188) 4.487 38.114 ( 1.899 -5.010 -4.487) 6.988 38.114 ( 1.899 5.010 -4.487) 6.988 38.226 ( 2.697 -5.944 -2.417) 6.960 38.226 ( 2.697 5.944 -2.417) 6.960 38.518 ( 2.100 -5.395 0.839) 5.850 38.518 ( 2.100 5.395 0.839) 5.850 38.733 ( 3.056 -5.451 -2.246) 6.640 38.733 ( 3.056 5.451 -2.246) 6.640 39.062 ( -11.339 -13.926 4.717) 18.568 39.062 ( -11.339 13.926 4.717) 18.568 39.349 ( -18.667 -2.790 -3.507) 19.198 39.349 ( -18.667 2.790 -3.507) 19.198 39.722 ( -16.885 -5.451 3.851) 18.157 39.722 ( -16.885 5.451 3.851) 18.157 ======================= Grid point 32 (18/96) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 0.000 -0.981 -0.000) 0.981 2.116 ( 0.000 0.981 0.000) 0.981 2.325 ( 0.000 -1.901 0.000) 1.901 2.325 ( 0.000 1.901 0.000) 1.901 2.481 ( -0.000 -4.039 0.000) 4.039 2.481 ( 0.000 4.039 0.000) 4.039 2.500 ( 0.000 -3.209 0.000) 3.209 2.500 ( 0.000 3.209 -0.000) 3.209 2.587 ( 0.000 -5.936 0.000) 5.936 2.587 ( 0.000 5.936 -0.000) 5.936 2.847 ( 0.000 -4.027 -0.000) 4.027 2.847 ( 0.000 4.027 -0.000) 4.027 3.050 ( -0.000 -7.296 -0.000) 7.296 3.050 ( 0.000 7.296 0.000) 7.296 3.367 ( 0.000 -1.102 0.000) 1.102 3.367 ( 0.000 1.102 0.000) 1.102 3.460 ( -0.000 -6.844 -0.000) 6.844 3.460 ( 0.000 6.844 0.000) 6.844 3.628 ( 0.000 -7.077 0.000) 7.077 3.628 ( -0.000 7.077 -0.000) 7.077 4.002 ( 0.000 -2.825 0.000) 2.825 4.002 ( 0.000 2.825 0.000) 2.825 4.166 ( 0.000 -1.205 0.000) 1.205 4.166 ( 0.000 1.205 0.000) 1.205 4.276 ( 0.000 -13.702 0.000) 13.702 4.276 ( 0.000 13.702 -0.000) 13.702 4.576 ( 0.000 -0.658 -0.000) 0.658 4.576 ( 0.000 0.658 0.000) 0.658 4.836 ( 0.000 -4.502 0.000) 4.502 4.836 ( 0.000 4.502 0.000) 4.502 4.974 ( 0.000 -4.042 0.000) 4.042 4.974 ( 0.000 4.042 0.000) 4.042 5.345 ( 0.000 -3.254 0.000) 3.254 5.345 ( 0.000 3.254 -0.000) 3.254 5.422 ( -0.000 -1.304 0.000) 1.304 5.422 ( 0.000 1.304 0.000) 1.304 5.672 ( 0.000 -2.203 0.000) 2.203 5.672 ( 0.000 2.203 0.000) 2.203 5.712 ( 0.000 -3.439 0.000) 3.439 5.712 ( 0.000 3.439 0.000) 3.439 5.876 ( 0.000 -3.200 0.000) 3.200 5.876 ( 0.000 3.200 0.000) 3.200 6.017 ( 0.000 -0.043 -0.000) 0.043 6.017 ( 0.000 0.043 0.000) 0.043 6.174 ( 0.000 -0.743 0.000) 0.743 6.174 ( 0.000 0.743 0.000) 0.743 6.342 ( -0.000 -10.760 0.000) 10.760 6.342 ( 0.000 10.760 -0.000) 10.760 6.566 ( 0.000 -3.319 0.000) 3.319 6.566 ( 0.000 3.319 0.000) 3.319 6.741 ( 0.000 -3.398 -0.000) 3.398 6.741 ( 0.000 3.398 0.000) 3.398 6.813 ( 0.000 -1.692 0.000) 1.692 6.813 ( 0.000 1.692 0.000) 1.692 6.969 ( 0.000 -1.914 0.000) 1.914 6.969 ( 0.000 1.914 0.000) 1.914 7.380 ( 0.000 -0.809 0.000) 0.809 7.380 ( 0.000 0.809 0.000) 0.809 7.458 ( 0.000 -5.226 0.000) 5.226 7.458 ( 0.000 5.226 0.000) 5.226 7.543 ( -0.000 -1.595 0.000) 1.595 7.543 ( 0.000 1.595 0.000) 1.595 7.597 ( 0.000 -0.522 0.000) 0.522 7.597 ( 0.000 0.522 0.000) 0.522 7.730 ( 0.000 -6.035 0.000) 6.035 7.730 ( -0.000 6.035 -0.000) 6.035 7.934 ( 0.000 -1.399 0.000) 1.399 7.934 ( 0.000 1.399 0.000) 1.399 8.035 ( 0.000 -1.837 0.000) 1.837 8.035 ( 0.000 1.837 0.000) 1.837 8.143 ( -0.000 -2.872 -0.000) 2.872 8.143 ( 0.000 2.872 0.000) 2.872 8.219 ( 0.000 -2.944 0.000) 2.944 8.219 ( 0.000 2.944 0.000) 2.944 8.305 ( 0.000 -1.689 0.000) 1.689 8.305 ( 0.000 1.689 -0.000) 1.689 8.436 ( 0.000 -5.764 -0.000) 5.764 8.436 ( -0.000 5.764 0.000) 5.764 8.513 ( 0.000 -2.464 0.000) 2.464 8.513 ( 0.000 2.464 0.000) 2.464 8.586 ( -0.000 -1.444 -0.000) 1.444 8.586 ( -0.000 1.444 -0.000) 1.444 8.626 ( -0.000 -5.040 0.000) 5.040 8.626 ( -0.000 5.040 0.000) 5.040 8.830 ( 0.000 -1.694 0.000) 1.694 8.830 ( 0.000 1.694 -0.000) 1.694 9.020 ( 0.000 -3.158 0.000) 3.158 9.020 ( 0.000 3.158 0.000) 3.158 9.170 ( 0.000 -5.957 0.000) 5.957 9.170 ( 0.000 5.957 0.000) 5.957 9.240 ( 0.000 -2.022 0.000) 2.022 9.240 ( 0.000 2.022 0.000) 2.022 9.364 ( 0.000 -7.367 -0.000) 7.367 9.364 ( 0.000 7.367 0.000) 7.367 9.449 ( 0.000 -1.930 0.000) 1.930 9.449 ( 0.000 1.930 0.000) 1.930 9.539 ( 0.000 -1.927 -0.000) 1.927 9.539 ( 0.000 1.927 0.000) 1.927 9.739 ( -0.000 -1.798 0.000) 1.798 9.739 ( 0.000 1.798 0.000) 1.798 9.885 ( 0.000 -3.997 0.000) 3.997 9.885 ( 0.000 3.997 0.000) 3.997 10.145 ( 0.000 -2.397 0.000) 2.397 10.145 ( 0.000 2.397 0.000) 2.397 10.314 ( 0.000 -4.104 -0.000) 4.104 10.314 ( 0.000 4.104 0.000) 4.104 10.458 ( 0.000 -1.342 0.000) 1.342 10.458 ( 0.000 1.342 0.000) 1.342 10.880 ( 0.000 -0.412 0.000) 0.412 10.880 ( 0.000 0.412 0.000) 0.412 11.201 ( 0.000 -2.797 0.000) 2.797 11.201 ( 0.000 2.797 0.000) 2.797 11.448 ( 0.000 -2.668 0.000) 2.668 11.448 ( -0.000 2.668 0.000) 2.668 12.030 ( 0.000 -5.276 0.000) 5.276 12.030 ( 0.000 5.276 0.000) 5.276 12.614 ( 0.000 -1.178 0.000) 1.178 12.614 ( -0.000 1.178 -0.000) 1.178 13.042 ( 0.000 -10.392 0.000) 10.392 13.042 ( 0.000 10.392 0.000) 10.392 14.001 ( 0.000 -7.236 0.000) 7.236 14.001 ( 0.000 7.236 0.000) 7.236 14.154 ( 0.000 -6.405 0.000) 6.405 14.154 ( 0.000 6.405 0.000) 6.405 14.727 ( 0.000 -2.005 0.000) 2.005 14.727 ( 0.000 2.005 0.000) 2.005 14.959 ( 0.000 -2.682 0.000) 2.682 14.959 ( 0.000 2.682 0.000) 2.682 16.330 ( 0.000 -0.570 -0.000) 0.570 16.330 ( 0.000 0.570 -0.000) 0.570 16.811 ( 0.000 -0.452 0.000) 0.452 16.811 ( 0.000 0.452 0.000) 0.452 17.070 ( 0.000 -0.427 0.000) 0.427 17.070 ( 0.000 0.427 0.000) 0.427 17.223 ( 0.000 -1.071 0.000) 1.071 17.223 ( 0.000 1.071 0.000) 1.071 17.378 ( 0.000 -1.925 0.000) 1.925 17.378 ( 0.000 1.925 0.000) 1.925 17.568 ( 0.000 -3.875 0.000) 3.875 17.568 ( 0.000 3.875 -0.000) 3.875 17.614 ( 0.000 -1.276 0.000) 1.276 17.614 ( 0.000 1.276 0.000) 1.276 17.653 ( 0.000 -0.023 0.000) 0.023 17.653 ( 0.000 0.023 0.000) 0.023 17.894 ( 0.000 -0.791 -0.000) 0.791 17.894 ( 0.000 0.791 0.000) 0.791 18.080 ( 0.000 -2.940 0.000) 2.940 18.080 ( 0.000 2.940 0.000) 2.940 18.199 ( 0.000 -2.405 0.000) 2.405 18.199 ( 0.000 2.405 0.000) 2.405 18.362 ( 0.000 -2.221 -0.000) 2.221 18.362 ( 0.000 2.221 0.000) 2.221 18.517 ( 0.000 -3.044 0.000) 3.044 18.517 ( -0.000 3.044 0.000) 3.044 18.810 ( 0.000 -0.188 0.000) 0.188 18.810 ( 0.000 0.188 0.000) 0.188 21.346 ( -0.000 -1.171 0.000) 1.171 21.346 ( 0.000 1.171 0.000) 1.171 21.386 ( 0.000 -0.521 0.000) 0.521 21.386 ( -0.000 0.521 0.000) 0.521 21.431 ( -0.000 -0.307 0.000) 0.307 21.431 ( -0.000 0.307 -0.000) 0.307 21.579 ( 0.000 -3.746 0.000) 3.746 21.579 ( 0.000 3.746 0.000) 3.746 21.747 ( 0.000 -0.924 0.000) 0.924 21.747 ( -0.000 0.924 0.000) 0.924 21.792 ( 0.000 -6.266 -0.000) 6.266 21.792 ( 0.000 6.266 -0.000) 6.266 27.017 ( 0.000 -0.374 0.000) 0.374 27.017 ( 0.000 0.374 0.000) 0.374 27.138 ( 0.000 -0.055 0.000) 0.055 27.138 ( 0.000 0.055 0.000) 0.055 27.522 ( 0.000 -0.752 0.000) 0.752 27.522 ( 0.000 0.752 -0.000) 0.752 27.572 ( 0.000 -0.843 0.000) 0.843 27.572 ( 0.000 0.843 0.000) 0.843 27.874 ( 0.000 -0.775 0.000) 0.775 27.874 ( 0.000 0.775 0.000) 0.775 27.928 ( 0.000 -0.526 0.000) 0.526 27.928 ( 0.000 0.526 0.000) 0.526 36.956 ( 0.000 -0.453 -0.000) 0.453 36.956 ( 0.000 0.453 0.000) 0.453 37.115 ( 0.000 -3.774 0.000) 3.774 37.115 ( 0.000 3.774 0.000) 3.774 37.521 ( 0.000 -10.268 0.000) 10.268 37.521 ( 0.000 10.268 0.000) 10.268 37.551 ( 0.000 -5.314 -0.000) 5.314 37.551 ( -0.000 5.314 -0.000) 5.314 37.671 ( 0.000 -3.314 0.000) 3.314 37.671 ( -0.000 3.314 0.000) 3.314 38.129 ( 0.000 -3.853 0.000) 3.853 38.129 ( 0.000 3.853 -0.000) 3.853 38.260 ( 0.000 -9.198 -0.000) 9.198 38.260 ( 0.000 9.198 -0.000) 9.198 38.534 ( 0.000 -3.775 0.000) 3.775 38.534 ( 0.000 3.775 0.000) 3.775 38.766 ( 0.000 -8.088 0.000) 8.088 38.766 ( 0.000 8.088 -0.000) 8.088 38.964 ( 0.000 -4.536 0.000) 4.536 38.964 ( 0.000 4.536 0.000) 4.536 39.169 ( 0.000 -1.674 0.000) 1.674 39.169 ( 0.000 1.674 -0.000) 1.674 39.566 ( 0.000 -4.897 0.000) 4.897 39.566 ( -0.000 4.897 0.000) 4.897 ======================= Grid point 55 (19/96) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -1.321 0.000 23.094) 23.132 0.561 ( 2.408 0.000 27.387) 27.493 1.277 ( 1.934 0.000 62.227) 62.257 1.639 ( -2.475 0.000 6.310) 6.778 2.005 ( 4.458 0.000 -1.742) 4.786 2.032 ( 10.328 0.000 -21.186) 23.569 2.157 ( 4.649 0.000 -5.221) 6.991 2.339 ( -1.637 0.000 -6.218) 6.430 2.517 ( 2.938 0.000 -14.922) 15.209 2.653 ( -7.037 0.000 0.361) 7.047 2.815 ( -2.168 0.000 2.433) 3.259 2.982 ( 1.886 0.000 4.733) 5.095 2.988 ( 4.285 0.000 4.300) 6.071 3.416 ( 10.925 0.000 -2.283) 11.161 3.417 ( 4.914 0.000 -9.197) 10.427 3.568 ( -4.968 0.000 0.700) 5.018 3.679 ( 2.399 0.000 -4.625) 5.210 3.803 ( -3.648 0.000 6.562) 7.508 3.843 ( 10.259 0.000 -0.554) 10.274 3.856 ( -9.625 0.000 4.260) 10.526 3.878 ( 2.503 0.000 2.469) 3.516 3.935 ( -4.805 0.000 1.140) 4.939 4.039 ( 0.927 0.000 -1.473) 1.741 4.077 ( -2.111 0.000 -3.714) 4.272 4.216 ( -3.539 0.000 7.109) 7.941 4.239 ( -2.467 0.000 2.250) 3.339 4.425 ( 5.290 0.000 -12.623) 13.686 4.431 ( 1.028 0.000 -0.773) 1.286 4.512 ( -2.519 0.000 1.498) 2.931 4.600 ( 3.461 0.000 0.931) 3.584 4.733 ( 0.711 0.000 -1.986) 2.110 4.738 ( 2.088 0.000 -1.316) 2.469 4.887 ( -3.732 0.000 -0.397) 3.753 4.982 ( 0.329 0.000 -0.416) 0.531 5.001 ( -17.627 0.000 2.599) 17.818 5.028 ( -4.459 0.000 8.792) 9.858 5.286 ( 1.722 0.000 -2.306) 2.878 5.388 ( -1.665 0.000 10.216) 10.351 5.421 ( 8.926 0.000 -1.958) 9.139 5.630 ( -0.219 0.000 -4.549) 4.554 5.677 ( -3.496 0.000 4.498) 5.696 5.707 ( -2.764 0.000 4.463) 5.250 5.739 ( -2.990 0.000 1.315) 3.266 5.840 ( 1.848 0.000 -0.933) 2.070 5.917 ( 3.134 0.000 2.966) 4.315 5.953 ( -4.394 0.000 0.272) 4.402 6.140 ( 1.876 0.000 2.041) 2.773 6.192 ( 0.748 0.000 0.060) 0.750 6.251 ( -0.302 0.000 1.942) 1.965 6.277 ( 0.997 0.000 -2.512) 2.703 6.305 ( -2.497 0.000 -2.052) 3.232 6.396 ( 1.095 0.000 -3.014) 3.207 6.438 ( 1.251 0.000 -0.051) 1.252 6.655 ( -3.853 0.000 -0.198) 3.858 6.852 ( 7.566 0.000 5.835) 9.555 6.926 ( 0.333 0.000 0.091) 0.345 6.999 ( 1.973 0.000 0.151) 1.979 7.052 ( -0.658 0.000 -2.243) 2.338 7.159 ( -0.417 0.000 -1.904) 1.949 7.273 ( -1.062 0.000 -2.915) 3.103 7.283 ( -2.586 0.000 -1.354) 2.919 7.320 ( -1.571 0.000 -8.461) 8.606 7.347 ( -6.743 0.000 2.665) 7.251 7.453 ( -13.384 0.000 -5.684) 14.541 7.465 ( 2.823 0.000 -3.525) 4.516 7.505 ( 2.637 0.000 2.611) 3.711 7.617 ( -2.209 0.000 -7.246) 7.575 7.675 ( -1.144 0.000 -6.567) 6.666 7.742 ( -0.089 0.000 7.192) 7.192 7.845 ( 4.588 0.000 12.924) 13.715 7.871 ( -2.166 0.000 6.193) 6.561 7.935 ( -2.194 0.000 4.445) 4.957 7.937 ( 3.808 0.000 -1.438) 4.071 8.190 ( 1.817 0.000 -0.689) 1.943 8.219 ( 3.803 0.000 6.722) 7.723 8.272 ( -4.015 0.000 -3.128) 5.089 8.327 ( -3.777 0.000 -1.651) 4.122 8.428 ( -1.591 0.000 -12.251) 12.354 8.462 ( -2.456 0.000 6.949) 7.370 8.597 ( 2.679 0.000 -4.419) 5.167 8.710 ( 0.412 0.000 -2.744) 2.774 8.724 ( -0.239 0.000 -4.211) 4.218 8.747 ( -2.737 0.000 -1.972) 3.373 8.935 ( 0.315 0.000 -2.493) 2.513 8.974 ( 5.598 0.000 0.207) 5.601 9.062 ( 0.108 0.000 -0.959) 0.965 9.108 ( -3.927 0.000 3.128) 5.021 9.159 ( -0.684 0.000 -7.411) 7.442 9.264 ( -2.399 0.000 -4.943) 5.494 9.314 ( 2.289 0.000 -2.110) 3.113 9.348 ( 0.261 0.000 1.030) 1.063 9.414 ( -1.654 0.000 0.436) 1.710 9.500 ( 0.882 0.000 -3.104) 3.227 9.559 ( 1.211 0.000 -6.828) 6.934 9.725 ( -0.891 0.000 1.371) 1.635 9.732 ( 1.518 0.000 0.336) 1.555 9.799 ( 5.932 0.000 -0.524) 5.955 9.929 ( -2.027 0.000 -4.396) 4.841 9.951 ( 0.950 0.000 2.168) 2.367 10.037 ( 4.336 0.000 4.963) 6.590 10.124 ( -1.828 0.000 9.508) 9.682 10.155 ( -0.686 0.000 1.305) 1.474 10.295 ( 1.466 0.000 -0.811) 1.675 10.506 ( 4.265 0.000 7.082) 8.267 10.537 ( -0.055 0.000 1.127) 1.128 10.796 ( -4.602 0.000 2.731) 5.351 11.154 ( 3.928 0.000 -4.961) 6.328 11.198 ( -3.105 0.000 -3.826) 4.927 11.238 ( -0.721 0.000 -0.934) 1.180 11.372 ( 4.308 0.000 -2.123) 4.803 11.446 ( 1.652 0.000 -2.384) 2.900 11.500 ( -0.202 0.000 2.757) 2.765 11.794 ( -0.413 0.000 0.800) 0.901 12.012 ( -19.440 0.000 2.287) 19.574 12.102 ( -15.057 0.000 0.935) 15.086 12.241 ( 17.133 0.000 6.767) 18.421 12.504 ( -1.674 0.000 -1.037) 1.969 12.573 ( -1.290 0.000 -1.047) 1.662 12.792 ( -6.335 0.000 -0.968) 6.408 13.000 ( 48.441 0.000 -1.837) 48.476 13.798 ( -1.360 0.000 4.829) 5.017 14.408 ( 1.627 0.000 1.273) 2.066 14.465 ( -1.242 0.000 -0.929) 1.551 14.616 ( -1.043 0.000 0.492) 1.153 14.732 ( -0.863 0.000 6.142) 6.202 14.750 ( -3.634 0.000 -9.669) 10.330 14.861 ( 3.426 0.000 -4.193) 5.415 15.045 ( -0.101 0.000 -0.028) 0.105 16.279 ( -1.606 0.000 -3.452) 3.807 16.575 ( -8.792 0.000 -6.724) 11.068 16.607 ( 1.386 0.000 -9.194) 9.297 16.675 ( 2.831 0.000 -4.585) 5.388 16.950 ( -0.314 0.000 -2.752) 2.769 17.119 ( 0.280 0.000 -13.956) 13.959 17.121 ( -1.512 0.000 1.189) 1.923 17.287 ( -4.178 0.000 4.667) 6.264 17.299 ( 2.937 0.000 -2.770) 4.037 17.439 ( -1.808 0.000 3.908) 4.306 17.485 ( 1.250 0.000 0.441) 1.325 17.534 ( 0.782 0.000 4.177) 4.249 17.560 ( 0.559 0.000 -2.683) 2.741 17.797 ( 0.605 0.000 0.764) 0.975 17.830 ( -1.079 0.000 0.170) 1.092 17.864 ( 1.425 0.000 5.312) 5.499 17.878 ( -1.137 0.000 -0.728) 1.350 17.948 ( -0.586 0.000 -1.669) 1.768 17.984 ( -3.853 0.000 -5.415) 6.646 18.093 ( 0.643 0.000 3.837) 3.890 18.176 ( 0.939 0.000 6.167) 6.238 18.252 ( 0.507 0.000 0.163) 0.532 18.358 ( 0.704 0.000 5.733) 5.776 18.402 ( -0.472 0.000 -1.234) 1.322 18.547 ( -0.564 0.000 1.572) 1.670 18.730 ( 0.836 0.000 -1.246) 1.501 18.766 ( -2.515 0.000 10.443) 10.741 18.888 ( -2.595 0.000 4.426) 5.131 20.061 ( -2.777 0.000 -0.367) 2.801 20.068 ( 0.605 0.000 -0.571) 0.832 20.081 ( 1.620 0.000 -0.207) 1.633 20.083 ( -0.167 0.000 -0.193) 0.255 20.101 ( 0.244 0.000 0.632) 0.677 20.106 ( -0.553 0.000 0.589) 0.807 22.126 ( 0.607 0.000 0.440) 0.750 22.141 ( 0.223 0.000 -0.684) 0.720 22.153 ( 0.764 0.000 -0.559) 0.946 22.168 ( 0.278 0.000 -0.169) 0.325 22.196 ( -0.707 0.000 1.009) 1.232 22.203 ( -1.553 0.000 1.268) 2.005 26.983 ( -0.293 0.000 0.546) 0.620 27.035 ( -0.207 0.000 1.924) 1.936 27.106 ( 0.041 0.000 -0.789) 0.790 27.117 ( -0.085 0.000 0.279) 0.292 27.547 ( -0.456 0.000 1.794) 1.851 27.622 ( -0.605 0.000 1.070) 1.229 27.652 ( -0.152 0.000 0.862) 0.875 27.660 ( -0.576 0.000 0.830) 1.011 27.795 ( 1.135 0.000 -1.148) 1.614 27.875 ( 0.610 0.000 -2.052) 2.141 28.036 ( 0.176 0.000 0.519) 0.548 28.055 ( 0.281 0.000 0.022) 0.281 36.598 ( 0.682 0.000 -1.039) 1.243 36.786 ( 1.377 0.000 -6.885) 7.022 36.963 ( 0.470 0.000 4.800) 4.823 37.046 ( 0.326 0.000 1.833) 1.861 37.105 ( -0.295 0.000 6.963) 6.970 37.141 ( -0.376 0.000 8.531) 8.539 37.185 ( -0.486 0.000 0.980) 1.093 37.355 ( -1.158 0.000 -1.928) 2.249 37.480 ( -2.501 0.000 3.587) 4.373 37.528 ( 1.020 0.000 0.435) 1.109 37.920 ( -1.206 0.000 8.253) 8.340 37.973 ( 1.543 0.000 -0.075) 1.545 38.133 ( 0.086 0.000 0.999) 1.003 38.141 ( -1.087 0.000 2.847) 3.048 38.271 ( -0.319 0.000 -4.039) 4.052 38.473 ( -0.629 0.000 -7.846) 7.872 39.056 ( 0.304 0.000 -18.859) 18.861 39.519 ( -0.676 0.000 -18.729) 18.741 39.927 ( 3.090 0.000 14.770) 15.090 40.130 ( 0.753 0.000 12.337) 12.360 40.703 ( -2.917 0.000 -1.558) 3.307 40.855 ( 1.113 0.000 -2.644) 2.868 41.076 ( -2.651 0.000 -1.746) 3.174 41.269 ( 10.827 0.000 -3.481) 11.372 ======================= Grid point 56 (20/96) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 15.215 0.000 17.270) 23.016 0.951 ( 29.057 0.000 13.529) 32.052 1.719 ( 5.971 0.000 8.657) 10.517 1.808 ( 3.671 0.000 24.936) 25.205 1.938 ( 8.463 0.000 10.715) 13.654 2.109 ( 7.542 0.000 -0.045) 7.542 2.256 ( 9.662 0.000 -14.082) 17.077 2.313 ( 4.975 0.000 -8.337) 9.708 2.533 ( 6.131 0.000 -4.927) 7.866 2.557 ( -5.629 0.000 3.268) 6.509 2.753 ( -3.160 0.000 -0.883) 3.280 2.983 ( -1.188 0.000 -1.372) 1.815 3.083 ( 0.739 0.000 4.801) 4.858 3.346 ( -5.030 0.000 -9.028) 10.334 3.368 ( -10.495 0.000 -1.787) 10.646 3.553 ( 4.489 0.000 -9.276) 10.305 3.621 ( -11.185 0.000 3.077) 11.601 3.664 ( -5.829 0.000 3.102) 6.603 3.706 ( -4.976 0.000 -1.413) 5.173 3.909 ( -0.060 0.000 -4.471) 4.471 3.934 ( -1.887 0.000 0.839) 2.065 4.078 ( 3.717 0.000 1.443) 3.987 4.093 ( 10.670 0.000 4.325) 11.513 4.147 ( -3.955 0.000 -0.640) 4.006 4.186 ( 16.107 0.000 -0.951) 16.135 4.293 ( 1.809 0.000 -1.323) 2.241 4.442 ( 1.334 0.000 -5.385) 5.548 4.447 ( -0.259 0.000 0.776) 0.819 4.513 ( 5.641 0.000 -0.374) 5.654 4.630 ( 1.334 0.000 2.518) 2.849 4.717 ( -1.680 0.000 -0.847) 1.882 4.785 ( 3.392 0.000 1.855) 3.866 4.834 ( 4.288 0.000 4.390) 6.137 5.029 ( 4.348 0.000 -1.507) 4.602 5.045 ( 5.807 0.000 3.099) 6.582 5.110 ( 3.316 0.000 8.057) 8.713 5.298 ( 1.765 0.000 -4.181) 4.538 5.468 ( 3.246 0.000 8.879) 9.454 5.552 ( 10.010 0.000 -9.435) 13.756 5.603 ( 1.757 0.000 -1.591) 2.370 5.657 ( -1.934 0.000 4.899) 5.266 5.724 ( 0.214 0.000 -1.518) 1.533 5.816 ( 8.792 0.000 5.552) 10.398 5.895 ( 0.001 0.000 -1.799) 1.799 5.912 ( 6.468 0.000 -2.328) 6.874 5.963 ( -2.472 0.000 8.270) 8.631 6.159 ( -2.055 0.000 5.852) 6.202 6.226 ( 3.587 0.000 -5.648) 6.690 6.230 ( -3.094 0.000 -0.031) 3.094 6.297 ( 6.040 0.000 -2.680) 6.608 6.311 ( 6.728 0.000 -4.274) 7.971 6.521 ( 7.704 0.000 -0.267) 7.709 6.545 ( 15.485 0.000 -0.142) 15.486 6.629 ( 0.996 0.000 0.027) 0.996 6.940 ( 0.589 0.000 3.631) 3.679 6.962 ( -1.484 0.000 1.823) 2.351 7.042 ( -0.191 0.000 1.494) 1.506 7.053 ( 6.632 0.000 -3.430) 7.467 7.149 ( -4.341 0.000 3.851) 5.803 7.185 ( -0.069 0.000 -5.173) 5.173 7.206 ( -1.263 0.000 -3.320) 3.552 7.274 ( 1.155 0.000 -3.305) 3.501 7.323 ( 0.143 0.000 -0.345) 0.374 7.376 ( 4.554 0.000 -1.008) 4.664 7.507 ( -0.502 0.000 -10.073) 10.086 7.576 ( 5.377 0.000 -0.390) 5.391 7.576 ( 4.831 0.000 1.697) 5.120 7.646 ( 4.499 0.000 -3.450) 5.670 7.822 ( 3.370 0.000 4.905) 5.951 7.893 ( -1.123 0.000 6.285) 6.384 7.913 ( -2.987 0.000 3.616) 4.690 8.008 ( 2.515 0.000 2.907) 3.843 8.016 ( 4.820 0.000 7.166) 8.636 8.120 ( -3.459 0.000 -8.920) 9.567 8.259 ( -3.609 0.000 -5.054) 6.211 8.283 ( -0.822 0.000 -8.674) 8.712 8.305 ( 4.717 0.000 5.146) 6.981 8.339 ( 2.014 0.000 4.924) 5.320 8.479 ( 0.733 0.000 2.529) 2.633 8.622 ( 2.895 0.000 -2.320) 3.710 8.682 ( -3.164 0.000 0.193) 3.170 8.699 ( 0.748 0.000 -3.440) 3.520 8.706 ( 0.069 0.000 -0.462) 0.467 8.905 ( -2.354 0.000 -4.317) 4.917 8.984 ( 0.884 0.000 -4.261) 4.352 9.046 ( -2.861 0.000 -13.570) 13.868 9.073 ( -1.257 0.000 4.944) 5.101 9.153 ( 3.438 0.000 6.124) 7.023 9.181 ( -5.179 0.000 0.272) 5.186 9.297 ( 0.866 0.000 -3.847) 3.943 9.320 ( -2.679 0.000 -2.886) 3.937 9.384 ( -2.880 0.000 0.669) 2.957 9.430 ( -3.502 0.000 -5.707) 6.696 9.536 ( -0.758 0.000 -4.316) 4.383 9.688 ( -4.152 0.000 1.781) 4.518 9.735 ( -1.520 0.000 0.061) 1.521 9.858 ( -3.850 0.000 -0.950) 3.965 9.859 ( 1.790 0.000 -2.535) 3.103 9.967 ( -0.817 0.000 0.752) 1.110 10.108 ( -2.572 0.000 7.220) 7.665 10.147 ( -0.235 0.000 2.035) 2.048 10.156 ( -0.904 0.000 2.799) 2.941 10.340 ( 2.861 0.000 2.760) 3.976 10.493 ( -5.512 0.000 -0.858) 5.579 10.625 ( 2.478 0.000 6.579) 7.030 10.693 ( -6.455 0.000 -0.829) 6.508 11.046 ( -9.585 0.000 -4.089) 10.420 11.117 ( -6.810 0.000 -3.573) 7.690 11.175 ( -2.589 0.000 -1.995) 3.269 11.247 ( -17.307 0.000 0.605) 17.318 11.446 ( -7.891 0.000 3.236) 8.528 11.447 ( -3.476 0.000 -1.404) 3.749 11.790 ( -6.510 0.000 11.119) 12.885 11.805 ( 0.865 0.000 0.411) 0.958 11.951 ( -4.585 0.000 6.621) 8.053 12.420 ( -9.412 0.000 -0.790) 9.445 12.527 ( -1.658 0.000 -0.859) 1.867 12.593 ( 16.316 0.000 5.793) 17.314 12.661 ( -3.434 0.000 -7.676) 8.409 13.490 ( 16.916 0.000 -12.912) 21.280 13.817 ( -1.185 0.000 5.711) 5.832 14.402 ( -3.181 0.000 -2.263) 3.904 14.407 ( -3.485 0.000 3.011) 4.606 14.484 ( -15.772 0.000 -6.068) 16.899 14.584 ( -2.327 0.000 -0.282) 2.344 14.756 ( -1.595 0.000 6.134) 6.338 14.883 ( 2.593 0.000 -5.483) 6.065 15.060 ( 0.996 0.000 1.463) 1.770 16.238 ( 0.664 0.000 -4.785) 4.830 16.370 ( -7.608 0.000 2.310) 7.951 16.585 ( 4.020 0.000 -9.235) 10.072 16.696 ( 3.336 0.000 -5.010) 6.019 16.947 ( 1.558 0.000 -0.964) 1.833 17.049 ( 1.562 0.000 -8.379) 8.524 17.094 ( -1.363 0.000 0.134) 1.370 17.250 ( -2.734 0.000 4.360) 5.146 17.334 ( 2.776 0.000 -1.509) 3.160 17.431 ( -2.782 0.000 4.828) 5.572 17.488 ( 0.569 0.000 -2.830) 2.886 17.571 ( 1.720 0.000 -0.638) 1.835 17.572 ( -0.157 0.000 4.556) 4.559 17.740 ( -4.905 0.000 2.667) 5.583 17.801 ( -1.872 0.000 -0.392) 1.913 17.861 ( -1.553 0.000 -3.825) 4.129 17.883 ( -2.170 0.000 -1.014) 2.395 17.916 ( -1.531 0.000 -2.031) 2.544 17.932 ( 2.259 0.000 3.463) 4.135 18.128 ( -0.297 0.000 5.261) 5.269 18.234 ( 0.765 0.000 5.784) 5.835 18.247 ( -0.651 0.000 -1.202) 1.367 18.370 ( -1.868 0.000 -1.900) 2.665 18.414 ( 1.112 0.000 4.789) 4.917 18.541 ( -1.471 0.000 1.579) 2.158 18.738 ( 1.162 0.000 -1.176) 1.654 18.768 ( -5.809 0.000 10.590) 12.079 18.879 ( -2.309 0.000 3.887) 4.521 20.164 ( 10.391 0.000 -0.058) 10.391 20.170 ( 10.140 0.000 0.107) 10.140 20.196 ( 11.992 0.000 0.742) 12.015 20.206 ( 12.559 0.000 -0.522) 12.570 20.213 ( 11.816 0.000 -0.164) 11.817 20.577 ( 41.573 0.000 -26.224) 49.153 22.113 ( -2.908 0.000 -0.725) 2.997 22.120 ( -1.936 0.000 0.968) 2.165 22.138 ( -2.002 0.000 -1.050) 2.261 22.151 ( -1.751 0.000 -1.103) 2.070 22.174 ( -2.949 0.000 1.436) 3.280 22.180 ( -2.154 0.000 1.773) 2.790 26.987 ( 0.087 0.000 0.948) 0.952 27.044 ( -0.321 0.000 1.806) 1.834 27.102 ( 0.373 0.000 -1.133) 1.193 27.119 ( 0.104 0.000 0.297) 0.314 27.549 ( -1.026 0.000 2.028) 2.273 27.614 ( -1.169 0.000 0.913) 1.483 27.643 ( -1.538 0.000 0.949) 1.807 27.645 ( -1.456 0.000 0.583) 1.569 27.814 ( 1.686 0.000 -0.861) 1.893 27.868 ( 0.377 0.000 -2.169) 2.201 28.027 ( -1.511 0.000 0.575) 1.617 28.045 ( -1.385 0.000 0.157) 1.394 36.623 ( 2.847 0.000 -0.947) 3.001 36.778 ( 3.335 0.000 -6.559) 7.358 37.034 ( 2.887 0.000 5.368) 6.095 37.095 ( 3.182 0.000 3.655) 4.846 37.171 ( 1.805 0.000 6.813) 7.048 37.196 ( -0.415 0.000 8.651) 8.661 37.199 ( 1.740 0.000 0.243) 1.757 37.338 ( 1.092 0.000 -3.491) 3.658 37.491 ( -0.356 0.000 7.529) 7.537 37.578 ( 3.247 0.000 2.279) 3.967 37.924 ( -3.415 0.000 4.352) 5.532 38.016 ( 2.759 0.000 1.472) 3.127 38.154 ( -1.501 0.000 4.533) 4.776 38.176 ( 3.862 0.000 1.284) 4.070 38.286 ( 4.761 0.000 -0.797) 4.827 38.395 ( -0.982 0.000 -8.607) 8.663 38.839 ( -6.998 0.000 -20.026) 21.213 39.325 ( -5.029 0.000 -19.275) 19.920 39.995 ( -7.951 0.000 14.063) 16.155 40.162 ( -54.848 0.000 32.966) 63.992 40.163 ( -6.692 0.000 10.285) 12.270 40.719 ( -13.364 0.000 -5.351) 14.395 40.849 ( -20.329 0.000 -1.981) 20.426 40.945 ( -21.334 0.000 4.185) 21.741 ======================= Grid point 57 (21/96) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 16.158 0.000 8.154) 18.099 1.531 ( 26.261 0.000 10.415) 28.251 1.809 ( 3.606 0.000 -3.358) 4.927 1.986 ( 14.197 0.000 13.260) 19.426 2.242 ( 6.823 0.000 -0.279) 6.828 2.268 ( 7.840 0.000 -6.828) 10.397 2.349 ( 3.219 0.000 -7.211) 7.897 2.442 ( 9.251 0.000 4.013) 10.084 2.484 ( -1.778 0.000 -2.816) 3.330 2.615 ( 4.181 0.000 20.530) 20.951 2.784 ( 7.008 0.000 0.112) 7.009 3.007 ( 6.239 0.000 -0.728) 6.281 3.076 ( -4.268 0.000 2.750) 5.077 3.170 ( -7.833 0.000 -3.044) 8.404 3.241 ( -4.351 0.000 0.366) 4.366 3.356 ( -12.650 0.000 1.790) 12.776 3.560 ( -9.041 0.000 7.300) 11.620 3.580 ( -0.989 0.000 -9.417) 9.468 3.680 ( 1.915 0.000 0.124) 1.919 3.855 ( -1.022 0.000 -8.306) 8.369 3.858 ( -1.169 0.000 -6.952) 7.050 4.093 ( -6.537 0.000 0.486) 6.555 4.119 ( -0.439 0.000 1.591) 1.651 4.267 ( 2.594 0.000 3.855) 4.647 4.271 ( 3.469 0.000 -4.133) 5.396 4.415 ( 1.253 0.000 1.082) 1.655 4.416 ( 2.145 0.000 -3.370) 3.995 4.500 ( 10.682 0.000 0.536) 10.695 4.627 ( 0.513 0.000 2.512) 2.564 4.701 ( 3.189 0.000 3.564) 4.782 4.718 ( 8.523 0.000 -2.261) 8.818 4.850 ( 2.952 0.000 0.568) 3.006 5.014 ( 11.207 0.000 4.321) 12.011 5.083 ( 4.704 0.000 -4.665) 6.625 5.163 ( 6.217 0.000 1.141) 6.321 5.243 ( 5.334 0.000 6.127) 8.124 5.318 ( 3.872 0.000 -0.759) 3.945 5.566 ( 1.607 0.000 -1.290) 2.061 5.619 ( 5.465 0.000 -5.517) 7.765 5.664 ( 3.712 0.000 -1.108) 3.874 5.711 ( 2.891 0.000 3.854) 4.818 5.754 ( 4.521 0.000 2.526) 5.179 5.907 ( 1.654 0.000 0.563) 1.748 5.966 ( 0.526 0.000 4.871) 4.900 5.997 ( 4.454 0.000 -5.830) 7.337 6.057 ( 8.494 0.000 6.521) 10.709 6.145 ( 4.562 0.000 -1.203) 4.718 6.254 ( 4.672 0.000 -4.675) 6.609 6.321 ( 5.697 0.000 15.476) 16.491 6.413 ( 8.006 0.000 -2.562) 8.405 6.444 ( 11.688 0.000 -3.160) 12.107 6.606 ( 1.705 0.000 -1.092) 2.024 6.695 ( 7.401 0.000 -5.660) 9.317 6.818 ( 10.985 0.000 -0.055) 10.985 6.964 ( 1.261 0.000 -1.598) 2.036 7.022 ( 1.613 0.000 -6.838) 7.026 7.036 ( -0.747 0.000 6.401) 6.444 7.057 ( 6.124 0.000 8.709) 10.647 7.097 ( -0.815 0.000 2.924) 3.035 7.189 ( -1.268 0.000 -2.934) 3.197 7.222 ( 1.964 0.000 -2.214) 2.959 7.301 ( 4.576 0.000 -4.193) 6.207 7.385 ( 4.835 0.000 2.329) 5.367 7.431 ( 8.809 0.000 -11.009) 14.100 7.561 ( 8.559 0.000 3.500) 9.247 7.608 ( 4.721 0.000 -2.312) 5.257 7.720 ( 9.039 0.000 3.145) 9.570 7.793 ( 8.127 0.000 -0.564) 8.147 7.883 ( -2.875 0.000 5.588) 6.285 7.922 ( 5.009 0.000 -0.663) 5.052 7.927 ( -0.778 0.000 4.887) 4.949 7.997 ( -2.332 0.000 -1.324) 2.682 8.065 ( 1.744 0.000 2.762) 3.266 8.115 ( 3.170 0.000 -1.243) 3.405 8.116 ( -3.801 0.000 -8.634) 9.433 8.242 ( 0.614 0.000 -2.750) 2.818 8.426 ( 2.990 0.000 3.272) 4.432 8.434 ( 4.850 0.000 4.056) 6.322 8.537 ( 3.260 0.000 2.422) 4.061 8.644 ( -3.268 0.000 4.377) 5.463 8.651 ( 0.219 0.000 0.857) 0.885 8.675 ( -3.280 0.000 -4.409) 5.495 8.680 ( 1.379 0.000 -6.515) 6.660 8.807 ( -3.938 0.000 -3.827) 5.491 8.903 ( -2.508 0.000 -8.313) 8.683 8.973 ( 0.231 0.000 -0.616) 0.658 9.078 ( -6.490 0.000 -1.423) 6.644 9.110 ( 1.242 0.000 2.585) 2.868 9.211 ( -5.928 0.000 -4.732) 7.585 9.234 ( 0.724 0.000 3.043) 3.128 9.309 ( -0.076 0.000 -1.821) 1.823 9.326 ( -0.462 0.000 1.067) 1.163 9.334 ( -3.680 0.000 -1.683) 4.047 9.463 ( -2.664 0.000 -5.570) 6.174 9.618 ( -6.209 0.000 3.061) 6.922 9.680 ( -3.972 0.000 -2.113) 4.499 9.773 ( -5.825 0.000 1.522) 6.021 9.808 ( -4.877 0.000 -3.377) 5.932 9.953 ( -2.213 0.000 1.329) 2.581 10.069 ( -5.150 0.000 2.715) 5.822 10.133 ( -3.699 0.000 2.765) 4.618 10.152 ( -2.304 0.000 1.865) 2.964 10.350 ( -8.828 0.000 1.165) 8.904 10.402 ( 1.205 0.000 0.794) 1.443 10.591 ( -3.714 0.000 -2.808) 4.657 10.643 ( -6.279 0.000 2.124) 6.628 10.821 ( -13.045 0.000 -2.353) 13.255 10.907 ( -19.442 0.000 0.501) 19.448 10.931 ( -7.946 0.000 -1.908) 8.172 11.102 ( -4.717 0.000 -2.062) 5.148 11.302 ( -9.924 0.000 -2.843) 10.323 11.330 ( -6.368 0.000 2.572) 6.868 11.795 ( -2.416 0.000 -1.221) 2.707 11.807 ( -1.087 0.000 6.942) 7.027 12.028 ( 3.321 0.000 11.511) 11.980 12.161 ( -17.626 0.000 -0.462) 17.632 12.521 ( 1.533 0.000 -1.404) 2.078 12.583 ( 0.464 0.000 -6.749) 6.765 12.848 ( 8.518 0.000 0.969) 8.573 13.551 ( 1.526 0.000 -8.168) 8.310 13.836 ( -1.635 0.000 5.900) 6.123 14.182 ( -12.709 0.000 -3.760) 13.254 14.344 ( -5.999 0.000 3.801) 7.101 14.362 ( 1.201 0.000 -3.670) 3.862 14.543 ( -2.073 0.000 -0.265) 2.090 14.764 ( -2.152 0.000 4.755) 5.220 14.880 ( 1.536 0.000 -4.367) 4.629 15.081 ( 0.646 0.000 -0.346) 0.733 16.232 ( 2.275 0.000 -3.922) 4.534 16.321 ( -0.884 0.000 1.291) 1.565 16.609 ( 5.816 0.000 -7.934) 9.838 16.715 ( 3.137 0.000 -4.951) 5.861 16.980 ( 2.352 0.000 0.053) 2.353 17.052 ( 3.159 0.000 -2.474) 4.013 17.074 ( -0.220 0.000 -1.966) 1.978 17.255 ( -0.872 0.000 5.044) 5.119 17.367 ( 1.698 0.000 -0.818) 1.885 17.411 ( -3.408 0.000 4.596) 5.722 17.475 ( 0.796 0.000 -3.380) 3.472 17.598 ( -0.547 0.000 3.604) 3.645 17.602 ( 2.220 0.000 -0.586) 2.296 17.687 ( -3.136 0.000 1.107) 3.326 17.769 ( -0.922 0.000 -0.880) 1.275 17.774 ( -3.304 0.000 -2.199) 3.969 17.865 ( -2.333 0.000 -2.144) 3.169 17.878 ( -0.644 0.000 1.129) 1.300 17.984 ( 1.716 0.000 0.303) 1.743 18.167 ( -0.379 0.000 6.689) 6.700 18.213 ( -1.356 0.000 -2.676) 3.000 18.284 ( 0.863 0.000 3.743) 3.842 18.314 ( -2.137 0.000 -3.208) 3.854 18.455 ( 0.324 0.000 2.628) 2.648 18.520 ( -2.159 0.000 1.646) 2.715 18.736 ( -6.228 0.000 9.876) 11.676 18.752 ( 1.352 0.000 -1.133) 1.764 18.864 ( -2.226 0.000 3.005) 3.740 20.407 ( 16.319 0.000 1.083) 16.355 20.415 ( 17.225 0.000 1.266) 17.271 20.481 ( 18.548 0.000 -1.591) 18.616 20.488 ( 19.576 0.000 -2.647) 19.754 20.502 ( 19.794 0.000 4.319) 20.260 20.977 ( 27.686 0.000 -25.289) 37.497 22.028 ( -6.121 0.000 -1.007) 6.204 22.063 ( -5.483 0.000 -1.646) 5.724 22.070 ( -4.787 0.000 1.332) 4.969 22.085 ( -4.582 0.000 -2.141) 5.058 22.117 ( -5.002 0.000 1.820) 5.323 22.151 ( -3.100 0.000 3.127) 4.403 26.999 ( 0.240 0.000 1.283) 1.305 27.049 ( -0.575 0.000 1.380) 1.496 27.103 ( 0.788 0.000 -1.279) 1.502 27.124 ( 0.274 0.000 0.051) 0.278 27.543 ( -1.335 0.000 2.071) 2.464 27.593 ( -1.739 0.000 0.548) 1.823 27.617 ( -2.111 0.000 0.886) 2.289 27.625 ( -1.254 0.000 0.595) 1.388 27.837 ( 1.715 0.000 -1.005) 1.988 27.858 ( 0.335 0.000 -2.080) 2.106 27.997 ( -2.210 0.000 0.270) 2.227 28.014 ( -2.196 0.000 0.191) 2.205 36.679 ( 4.396 0.000 -1.380) 4.607 36.801 ( 4.828 0.000 -6.705) 8.262 37.119 ( 2.755 0.000 3.436) 4.404 37.193 ( 1.152 0.000 7.639) 7.726 37.240 ( 2.617 0.000 2.068) 3.335 37.272 ( 3.762 0.000 4.511) 5.874 37.292 ( 6.799 0.000 7.222) 9.918 37.334 ( 2.115 0.000 -4.867) 5.306 37.578 ( 2.604 0.000 9.691) 10.035 37.666 ( 4.365 0.000 3.234) 5.433 37.885 ( -3.191 0.000 1.660) 3.597 38.085 ( 2.969 0.000 2.415) 3.827 38.160 ( -0.049 0.000 1.174) 1.175 38.285 ( 7.019 0.000 -0.395) 7.030 38.334 ( 1.589 0.000 -4.765) 5.023 38.390 ( 3.898 0.000 2.204) 4.478 38.560 ( -7.260 0.000 -15.029) 16.691 39.070 ( -7.563 0.000 -18.728) 20.198 39.558 ( -42.019 0.000 36.885) 55.912 39.907 ( -13.438 0.000 9.208) 16.290 40.051 ( -13.402 0.000 7.280) 15.252 40.327 ( -23.902 0.000 -9.094) 25.574 40.385 ( -29.790 0.000 -2.230) 29.874 40.595 ( -22.463 0.000 2.405) 22.592 ======================= Grid point 58 (22/96) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 18.157 0.000 6.629) 19.329 1.887 ( 9.691 0.000 -3.493) 10.302 2.036 ( 18.786 0.000 12.559) 22.598 2.212 ( -0.239 0.000 -10.624) 10.626 2.336 ( 8.677 0.000 -4.797) 9.915 2.345 ( 8.592 0.000 -12.216) 14.935 2.383 ( 7.154 0.000 7.741) 10.540 2.432 ( -3.713 0.000 3.415) 5.045 2.513 ( 4.024 0.000 4.057) 5.715 2.825 ( 1.804 0.000 -0.501) 1.873 2.933 ( 1.080 0.000 10.698) 10.752 2.991 ( -6.369 0.000 0.665) 6.403 3.012 ( -6.357 0.000 0.218) 6.361 3.113 ( -0.616 0.000 0.276) 0.675 3.224 ( -3.957 0.000 6.612) 7.706 3.277 ( 9.647 0.000 0.817) 9.681 3.481 ( -2.401 0.000 -8.681) 9.007 3.495 ( -5.193 0.000 11.603) 12.712 3.715 ( 4.251 0.000 -0.264) 4.259 3.736 ( -6.277 0.000 -6.941) 9.358 3.862 ( 5.280 0.000 -4.151) 6.717 3.901 ( -12.811 0.000 -0.575) 12.824 4.128 ( 0.158 0.000 -1.162) 1.172 4.213 ( -0.994 0.000 -6.411) 6.487 4.241 ( -5.588 0.000 -9.083) 10.664 4.426 ( 6.282 0.000 0.052) 6.282 4.562 ( 3.592 0.000 16.171) 16.566 4.601 ( 0.081 0.000 2.102) 2.103 4.709 ( 7.495 0.000 -0.641) 7.522 4.767 ( 0.324 0.000 4.129) 4.142 4.887 ( 10.153 0.000 -3.168) 10.636 4.895 ( 2.181 0.000 -0.416) 2.221 5.151 ( 7.437 0.000 -4.400) 8.641 5.206 ( 6.860 0.000 0.668) 6.893 5.312 ( 7.332 0.000 4.356) 8.529 5.400 ( 9.392 0.000 5.136) 10.704 5.427 ( 7.025 0.000 1.399) 7.163 5.530 ( -0.495 0.000 -7.478) 7.495 5.668 ( 0.446 0.000 -5.799) 5.816 5.696 ( 5.315 0.000 -1.739) 5.592 5.761 ( -0.105 0.000 4.271) 4.272 5.804 ( -0.133 0.000 1.708) 1.713 5.951 ( 1.919 0.000 1.836) 2.656 6.018 ( 0.952 0.000 5.751) 5.830 6.076 ( 4.547 0.000 3.581) 5.788 6.132 ( -1.585 0.000 -0.364) 1.626 6.326 ( 11.546 0.000 7.510) 13.773 6.372 ( 10.855 0.000 -5.218) 12.044 6.488 ( 1.503 0.000 -4.078) 4.346 6.563 ( 6.776 0.000 11.881) 13.677 6.660 ( 12.687 0.000 -0.474) 12.696 6.668 ( 5.116 0.000 2.418) 5.659 6.725 ( 4.909 0.000 -8.799) 10.076 6.855 ( 2.498 0.000 -3.683) 4.450 6.935 ( -4.993 0.000 -3.718) 6.225 7.032 ( 0.258 0.000 3.176) 3.186 7.102 ( -1.071 0.000 2.094) 2.352 7.152 ( 4.750 0.000 -1.001) 4.855 7.208 ( 6.640 0.000 -3.908) 7.705 7.248 ( 14.507 0.000 4.350) 15.145 7.326 ( 5.142 0.000 -3.205) 6.059 7.364 ( 7.715 0.000 8.741) 11.659 7.498 ( 9.043 0.000 -2.069) 9.276 7.567 ( 12.625 0.000 -6.462) 14.183 7.691 ( 4.143 0.000 -3.306) 5.300 7.730 ( 5.219 0.000 6.120) 8.043 7.821 ( -3.293 0.000 2.948) 4.420 7.894 ( 6.900 0.000 -1.735) 7.114 7.933 ( 3.161 0.000 1.855) 3.665 7.946 ( 2.389 0.000 -1.153) 2.653 7.956 ( 5.085 0.000 -3.355) 6.092 8.020 ( -0.167 0.000 1.711) 1.719 8.071 ( 1.965 0.000 1.442) 2.437 8.153 ( 3.741 0.000 -0.143) 3.744 8.199 ( 10.987 0.000 5.312) 12.204 8.270 ( 3.697 0.000 -0.530) 3.734 8.411 ( -8.082 0.000 -8.518) 11.742 8.456 ( -1.667 0.000 -0.915) 1.902 8.573 ( -0.264 0.000 1.398) 1.423 8.611 ( 0.554 0.000 -1.552) 1.648 8.619 ( -0.242 0.000 -1.534) 1.553 8.660 ( -1.023 0.000 9.840) 9.893 8.680 ( 1.218 0.000 -0.494) 1.315 8.749 ( -0.678 0.000 -2.518) 2.608 8.832 ( -1.749 0.000 -2.878) 3.368 8.924 ( -7.798 0.000 -3.833) 8.689 8.982 ( -1.047 0.000 1.759) 2.047 9.082 ( -4.749 0.000 -4.029) 6.228 9.123 ( -2.130 0.000 1.053) 2.376 9.185 ( -2.691 0.000 -1.288) 2.983 9.284 ( -1.487 0.000 0.666) 1.629 9.293 ( -2.665 0.000 4.631) 5.343 9.378 ( -4.584 0.000 -2.042) 5.018 9.412 ( 7.778 0.000 -2.465) 8.159 9.496 ( -7.813 0.000 -1.064) 7.885 9.566 ( -5.040 0.000 -5.815) 7.695 9.687 ( -6.279 0.000 0.197) 6.282 9.702 ( -4.570 0.000 5.126) 6.867 9.849 ( -9.504 0.000 -1.721) 9.659 9.975 ( -6.984 0.000 -0.358) 6.993 10.061 ( -6.843 0.000 3.402) 7.642 10.075 ( -7.520 0.000 -0.192) 7.523 10.260 ( -4.925 0.000 4.525) 6.688 10.355 ( -8.181 0.000 -0.621) 8.204 10.444 ( -9.120 0.000 -5.791) 10.804 10.514 ( -2.438 0.000 -4.699) 5.293 10.570 ( -13.071 0.000 0.190) 13.072 10.646 ( -9.178 0.000 0.779) 9.211 10.886 ( 0.678 0.000 2.265) 2.364 10.978 ( -6.686 0.000 -4.023) 7.803 11.097 ( -9.552 0.000 -4.588) 10.597 11.276 ( -2.340 0.000 2.248) 3.245 11.693 ( -6.443 0.000 -4.722) 7.988 11.840 ( -0.589 0.000 5.120) 5.154 11.865 ( -14.194 0.000 0.169) 14.195 12.168 ( 1.921 0.000 10.385) 10.561 12.539 ( 1.716 0.000 -2.009) 2.642 12.583 ( 2.241 0.000 0.024) 2.241 12.887 ( -0.941 0.000 -5.170) 5.255 13.475 ( -3.367 0.000 -6.324) 7.164 13.845 ( -2.276 0.000 5.793) 6.224 14.031 ( -2.810 0.000 0.316) 2.828 14.273 ( -5.001 0.000 3.577) 6.149 14.373 ( 2.838 0.000 -4.576) 5.384 14.508 ( -1.691 0.000 0.044) 1.692 14.749 ( -2.598 0.000 2.487) 3.597 14.881 ( 1.868 0.000 -2.796) 3.363 15.073 ( -0.459 0.000 -2.243) 2.290 16.256 ( 2.752 0.000 -2.067) 3.442 16.329 ( 0.757 0.000 0.108) 0.765 16.664 ( 6.066 0.000 -6.049) 8.566 16.735 ( 2.766 0.000 -3.459) 4.429 17.024 ( 2.158 0.000 0.766) 2.290 17.057 ( 0.460 0.000 -3.090) 3.124 17.110 ( 4.022 0.000 0.556) 4.060 17.290 ( 0.044 0.000 6.001) 6.001 17.371 ( -0.705 0.000 -0.991) 1.216 17.385 ( -3.339 0.000 4.605) 5.688 17.468 ( 0.875 0.000 -2.599) 2.743 17.579 ( -2.921 0.000 -0.887) 3.052 17.638 ( 2.678 0.000 -1.313) 2.983 17.665 ( -0.058 0.000 1.151) 1.152 17.727 ( -2.189 0.000 2.572) 3.378 17.767 ( 1.451 0.000 -0.884) 1.699 17.807 ( -2.465 0.000 -1.789) 3.046 17.869 ( -1.692 0.000 2.112) 2.707 17.995 ( 0.399 0.000 -1.780) 1.824 18.147 ( -1.403 0.000 -5.990) 6.153 18.227 ( -0.656 0.000 8.716) 8.740 18.256 ( -0.859 0.000 -4.652) 4.731 18.318 ( 0.813 0.000 1.208) 1.456 18.464 ( -0.492 0.000 0.450) 0.667 18.493 ( -2.191 0.000 1.608) 2.717 18.702 ( -5.550 0.000 8.829) 10.429 18.766 ( 1.130 0.000 -1.061) 1.550 18.848 ( -1.768 0.000 2.055) 2.711 20.739 ( 19.589 0.000 2.033) 19.694 20.763 ( 20.349 0.000 2.055) 20.452 20.811 ( 20.111 0.000 -2.165) 20.227 20.821 ( 20.555 0.000 -3.630) 20.873 20.917 ( 21.366 0.000 7.968) 22.803 21.222 ( 19.822 0.000 -18.908) 27.394 21.880 ( -9.847 0.000 -1.338) 9.937 21.919 ( -9.262 0.000 -2.261) 9.534 21.955 ( -8.037 0.000 -3.179) 8.643 21.971 ( -7.935 0.000 1.660) 8.107 22.023 ( -7.615 0.000 2.278) 7.948 22.120 ( -3.803 0.000 4.943) 6.237 27.012 ( 0.101 0.000 1.335) 1.339 27.045 ( -0.768 0.000 0.889) 1.174 27.110 ( 1.025 0.000 -1.180) 1.563 27.128 ( 0.344 0.000 -0.308) 0.462 27.535 ( -1.217 0.000 1.900) 2.257 27.569 ( -1.292 0.000 0.385) 1.348 27.586 ( -1.981 0.000 0.901) 2.176 27.609 ( -1.112 0.000 0.676) 1.301 27.851 ( 0.590 0.000 -1.733) 1.830 27.858 ( 1.612 0.000 -1.323) 2.085 27.957 ( -2.233 0.000 -0.116) 2.236 27.976 ( -2.120 0.000 0.017) 2.120 36.752 ( 5.232 0.000 -2.131) 5.649 36.844 ( 5.722 0.000 -7.001) 9.042 37.168 ( -1.025 0.000 4.798) 4.907 37.251 ( 0.963 0.000 4.701) 4.799 37.282 ( 1.668 0.000 -3.213) 3.620 37.333 ( 1.229 0.000 1.124) 1.666 37.401 ( 6.719 0.000 2.326) 7.110 37.528 ( 12.369 0.000 7.861) 14.655 37.708 ( 3.138 0.000 10.111) 10.587 37.775 ( 5.465 0.000 2.477) 6.000 37.849 ( -1.567 0.000 1.132) 1.933 38.110 ( -5.229 0.000 -11.090) 12.261 38.126 ( 0.659 0.000 -0.630) 0.912 38.314 ( -1.920 0.000 0.593) 2.009 38.350 ( 5.700 0.000 1.264) 5.839 38.479 ( 11.548 0.000 0.104) 11.549 38.579 ( 7.385 0.000 2.375) 7.757 38.807 ( -6.723 0.000 -15.867) 17.233 39.177 ( -30.014 0.000 27.451) 40.674 39.692 ( -16.404 0.000 4.692) 17.062 39.762 ( -30.298 0.000 -11.276) 32.328 39.817 ( -18.145 0.000 2.435) 18.308 39.852 ( -26.069 0.000 -3.528) 26.306 40.201 ( -23.490 0.000 1.285) 23.525 ======================= Grid point 59 (23/96) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( 17.298 0.000 3.941) 17.742 2.025 ( 8.741 0.000 -3.539) 9.430 2.100 ( -0.194 0.000 -11.418) 11.420 2.331 ( 1.820 0.000 -6.886) 7.122 2.340 ( -0.761 0.000 -4.172) 4.241 2.385 ( 5.222 0.000 3.981) 6.567 2.451 ( 4.696 0.000 3.608) 5.922 2.570 ( 6.853 0.000 0.531) 6.873 2.618 ( 3.205 0.000 2.100) 3.832 2.748 ( -5.126 0.000 -6.780) 8.500 2.861 ( -6.345 0.000 -1.318) 6.481 2.891 ( -8.721 0.000 3.898) 9.553 2.927 ( -5.789 0.000 4.709) 7.462 3.151 ( 1.903 0.000 5.948) 6.245 3.285 ( 3.138 0.000 4.112) 5.172 3.399 ( -0.829 0.000 -2.680) 2.805 3.400 ( 1.253 0.000 3.391) 3.615 3.497 ( -6.915 0.000 -4.802) 8.419 3.601 ( -2.498 0.000 -2.894) 3.823 3.748 ( 0.693 0.000 8.107) 8.137 3.833 ( 7.033 0.000 2.347) 7.415 3.912 ( 3.234 0.000 -5.572) 6.442 4.043 ( -9.563 0.000 -3.906) 10.330 4.100 ( 1.182 0.000 -2.359) 2.639 4.233 ( 3.186 0.000 -0.543) 3.232 4.531 ( 4.052 0.000 -1.619) 4.363 4.653 ( 3.972 0.000 2.779) 4.847 4.694 ( -2.385 0.000 11.081) 11.334 4.775 ( -1.415 0.000 5.032) 5.227 4.785 ( 2.953 0.000 -3.346) 4.462 4.932 ( 1.510 0.000 2.264) 2.721 5.010 ( 6.095 0.000 -1.283) 6.229 5.275 ( 8.946 0.000 -2.202) 9.213 5.310 ( 5.708 0.000 -0.382) 5.721 5.405 ( -0.232 0.000 4.814) 4.820 5.440 ( -1.232 0.000 -8.224) 8.316 5.510 ( 2.260 0.000 -5.617) 6.054 5.599 ( 5.331 0.000 3.191) 6.213 5.697 ( -2.097 0.000 0.346) 2.126 5.701 ( 4.637 0.000 3.838) 6.019 5.832 ( 2.160 0.000 2.546) 3.339 5.868 ( 7.012 0.000 5.193) 8.726 5.978 ( -0.357 0.000 1.285) 1.333 6.030 ( -3.138 0.000 -0.221) 3.146 6.119 ( -0.552 0.000 4.096) 4.133 6.148 ( -0.099 0.000 5.408) 5.409 6.428 ( -1.319 0.000 -4.284) 4.482 6.478 ( 5.924 0.000 -6.424) 8.738 6.554 ( 3.677 0.000 5.637) 6.730 6.632 ( -4.035 0.000 2.986) 5.019 6.707 ( -6.023 0.000 -14.820) 15.998 6.748 ( 3.707 0.000 -8.352) 9.137 6.790 ( 6.437 0.000 1.265) 6.560 6.842 ( 4.156 0.000 11.738) 12.452 6.995 ( 9.438 0.000 3.456) 10.050 7.058 ( -0.880 0.000 4.890) 4.968 7.198 ( 7.467 0.000 1.121) 7.551 7.276 ( 4.589 0.000 -4.341) 6.317 7.313 ( 11.423 0.000 3.318) 11.895 7.417 ( 6.451 0.000 -1.158) 6.554 7.467 ( -0.596 0.000 4.671) 4.709 7.512 ( 10.480 0.000 1.094) 10.537 7.664 ( 0.041 0.000 1.274) 1.274 7.685 ( 3.198 0.000 -1.405) 3.493 7.717 ( 3.385 0.000 -0.300) 3.399 7.819 ( 7.624 0.000 -3.186) 8.263 7.882 ( 8.988 0.000 2.537) 9.339 7.933 ( -0.033 0.000 -5.180) 5.180 7.937 ( -2.175 0.000 0.191) 2.183 7.980 ( -0.659 0.000 -0.882) 1.101 8.030 ( 6.175 0.000 -1.897) 6.460 8.038 ( 3.520 0.000 -1.332) 3.763 8.170 ( 6.252 0.000 3.692) 7.261 8.206 ( -3.043 0.000 -7.224) 7.838 8.241 ( 2.411 0.000 3.470) 4.225 8.280 ( -2.369 0.000 -1.484) 2.796 8.395 ( 3.220 0.000 -0.647) 3.284 8.454 ( 2.974 0.000 1.682) 3.417 8.530 ( -5.776 0.000 2.417) 6.261 8.612 ( -1.076 0.000 0.947) 1.433 8.640 ( -0.064 0.000 3.497) 3.498 8.684 ( -2.398 0.000 -0.662) 2.488 8.709 ( 2.578 0.000 3.458) 4.314 8.736 ( 0.676 0.000 0.204) 0.706 8.750 ( -3.240 0.000 -2.022) 3.819 8.896 ( 5.127 0.000 -0.647) 5.168 8.926 ( -3.560 0.000 1.819) 3.998 9.000 ( -0.621 0.000 -0.161) 0.642 9.079 ( -2.537 0.000 -0.018) 2.537 9.179 ( -16.326 0.000 3.487) 16.694 9.184 ( 2.573 0.000 -3.247) 4.143 9.260 ( -3.155 0.000 2.190) 3.841 9.304 ( 2.460 0.000 -1.396) 2.829 9.425 ( -3.210 0.000 -5.795) 6.625 9.426 ( 1.388 0.000 -3.086) 3.383 9.530 ( 1.578 0.000 -2.347) 2.828 9.648 ( 3.342 0.000 4.837) 5.880 9.663 ( -8.488 0.000 -0.812) 8.527 9.673 ( -5.275 0.000 6.516) 8.384 9.817 ( -10.036 0.000 2.017) 10.237 9.902 ( -9.746 0.000 -1.979) 9.945 9.972 ( -4.325 0.000 0.755) 4.391 10.143 ( -9.051 0.000 -3.916) 9.861 10.165 ( -9.124 0.000 2.388) 9.432 10.334 ( -2.205 0.000 -4.672) 5.166 10.398 ( -3.263 0.000 -9.266) 9.824 10.447 ( -2.326 0.000 1.678) 2.868 10.616 ( -0.100 0.000 7.974) 7.975 10.826 ( -3.922 0.000 -8.252) 9.137 10.921 ( -5.108 0.000 -6.953) 8.627 10.933 ( 1.660 0.000 2.323) 2.855 11.261 ( -1.380 0.000 2.262) 2.649 11.550 ( -4.084 0.000 -4.774) 6.283 11.684 ( -7.237 0.000 0.201) 7.240 11.849 ( -1.674 0.000 1.848) 2.493 12.195 ( -4.835 0.000 1.375) 5.027 12.567 ( 1.968 0.000 1.516) 2.484 12.631 ( 1.441 0.000 2.745) 3.100 12.843 ( 1.516 0.000 -1.680) 2.263 13.369 ( -2.909 0.000 -5.173) 5.935 13.845 ( -2.447 0.000 5.755) 6.254 14.038 ( 1.106 0.000 0.329) 1.154 14.221 ( -3.568 0.000 2.315) 4.253 14.388 ( 2.684 0.000 -3.602) 4.492 14.488 ( -0.812 0.000 0.692) 1.066 14.715 ( -2.321 0.000 0.257) 2.336 14.903 ( 2.340 0.000 -2.066) 3.121 15.038 ( -0.733 0.000 -3.697) 3.769 16.293 ( 2.303 0.000 -0.025) 2.304 16.341 ( 0.447 0.000 -0.193) 0.487 16.723 ( 4.661 0.000 -4.039) 6.167 16.761 ( 2.475 0.000 -2.083) 3.235 17.045 ( 0.622 0.000 -2.370) 2.450 17.065 ( 1.764 0.000 0.429) 1.815 17.190 ( 4.111 0.000 1.117) 4.260 17.330 ( -2.819 0.000 -0.919) 2.965 17.332 ( -0.843 0.000 5.896) 5.956 17.369 ( -2.464 0.000 5.415) 5.950 17.468 ( 0.973 0.000 -1.841) 2.082 17.522 ( -2.134 0.000 -0.517) 2.196 17.664 ( 0.603 0.000 -3.236) 3.292 17.670 ( 3.399 0.000 -5.409) 6.389 17.741 ( -0.649 0.000 7.387) 7.416 17.753 ( -2.661 0.000 1.751) 3.186 17.809 ( 2.898 0.000 -0.353) 2.920 17.853 ( -2.331 0.000 3.170) 3.935 17.981 ( 0.209 0.000 -2.577) 2.585 18.070 ( -1.502 0.000 -7.474) 7.624 18.203 ( -2.469 0.000 -0.496) 2.518 18.286 ( 1.898 0.000 2.362) 3.030 18.324 ( -0.034 0.000 -1.715) 1.716 18.448 ( -0.730 0.000 -1.466) 1.638 18.473 ( -1.551 0.000 2.035) 2.559 18.672 ( -4.961 0.000 8.003) 9.416 18.775 ( 0.785 0.000 -0.920) 1.209 18.832 ( -1.369 0.000 1.120) 1.768 21.096 ( 18.362 0.000 1.831) 18.453 21.122 ( 19.103 0.000 -1.959) 19.203 21.141 ( 18.608 0.000 -2.566) 18.784 21.147 ( 18.644 0.000 2.402) 18.798 21.329 ( 16.941 0.000 9.250) 19.302 21.406 ( 14.227 0.000 -12.365) 18.850 21.663 ( -13.675 0.000 -1.590) 13.768 21.709 ( -11.916 0.000 -3.343) 12.376 21.762 ( -10.613 0.000 -3.246) 11.099 21.818 ( -10.755 0.000 1.824) 10.909 21.885 ( -9.911 0.000 2.390) 10.195 22.095 ( -4.062 0.000 6.951) 8.051 27.020 ( -0.275 0.000 1.059) 1.094 27.037 ( -0.626 0.000 0.657) 0.908 27.120 ( 0.996 0.000 -0.878) 1.328 27.131 ( 0.292 0.000 -0.667) 0.728 27.529 ( -0.953 0.000 1.643) 1.899 27.556 ( -0.519 0.000 0.470) 0.700 27.564 ( -1.330 0.000 1.019) 1.675 27.598 ( -0.795 0.000 0.911) 1.209 27.855 ( 1.027 0.000 -1.094) 1.500 27.874 ( 1.507 0.000 -1.610) 2.205 27.920 ( -1.596 0.000 -0.533) 1.683 27.941 ( -1.670 0.000 -0.399) 1.717 36.825 ( 5.150 0.000 -2.943) 5.932 36.895 ( 5.980 0.000 -7.069) 9.259 37.154 ( -4.832 0.000 5.346) 7.206 37.266 ( 0.916 0.000 -5.925) 5.995 37.293 ( 0.554 0.000 2.352) 2.416 37.350 ( -1.070 0.000 1.941) 2.216 37.529 ( 4.873 0.000 -2.061) 5.291 37.765 ( 6.460 0.000 0.256) 6.465 37.782 ( -0.697 0.000 2.200) 2.307 37.880 ( 4.585 0.000 2.325) 5.141 37.885 ( 1.178 0.000 9.759) 9.830 37.919 ( -3.837 0.000 -5.322) 6.561 38.134 ( 2.264 0.000 1.653) 2.803 38.379 ( 4.404 0.000 3.505) 5.629 38.502 ( 5.247 0.000 0.911) 5.325 38.615 ( 5.856 0.000 -4.416) 7.335 38.731 ( 7.176 0.000 2.491) 7.596 38.739 ( 11.300 0.000 -1.566) 11.408 38.890 ( -22.196 0.000 17.582) 28.316 39.170 ( -23.088 0.000 -13.152) 26.572 39.430 ( -14.200 0.000 -0.387) 14.205 39.437 ( -16.565 0.000 -4.063) 17.056 39.509 ( -18.169 0.000 0.041) 18.170 39.821 ( -18.680 0.000 -1.398) 18.733 ======================= Grid point 60 (24/96) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -4.130 0.000 -10.492) 11.276 2.122 ( 3.677 0.000 -7.278) 8.154 2.215 ( -8.076 0.000 -8.051) 11.403 2.247 ( -5.386 0.000 -3.466) 6.405 2.305 ( -6.074 0.000 -3.675) 7.099 2.347 ( 14.310 0.000 1.687) 14.410 2.561 ( -5.346 0.000 -6.375) 8.320 2.613 ( 4.807 0.000 -4.589) 6.646 2.659 ( 2.534 0.000 1.237) 2.820 2.685 ( -0.660 0.000 2.409) 2.497 2.783 ( -1.032 0.000 -1.231) 1.606 2.857 ( -5.958 0.000 5.166) 7.886 2.862 ( 3.380 0.000 8.162) 8.835 3.104 ( -10.609 0.000 2.697) 10.947 3.292 ( -4.154 0.000 -8.609) 9.559 3.332 ( -2.319 0.000 4.518) 5.079 3.447 ( 7.236 0.000 0.085) 7.236 3.483 ( 2.642 0.000 2.245) 3.467 3.587 ( 2.977 0.000 0.458) 3.012 3.796 ( -6.527 0.000 5.257) 8.381 3.867 ( -3.062 0.000 -0.993) 3.220 4.004 ( 8.040 0.000 1.048) 8.108 4.056 ( 12.040 0.000 7.184) 14.020 4.118 ( 0.063 0.000 -1.167) 1.169 4.261 ( 0.043 0.000 1.702) 1.702 4.551 ( 1.127 0.000 -4.949) 5.076 4.644 ( -3.843 0.000 -3.000) 4.876 4.673 ( -4.802 0.000 1.354) 4.989 4.807 ( -2.829 0.000 9.364) 9.782 4.818 ( 3.781 0.000 -1.900) 4.232 4.980 ( 0.211 0.000 6.086) 6.089 5.084 ( 2.126 0.000 1.061) 2.376 5.362 ( -5.563 0.000 3.326) 6.482 5.368 ( -0.789 0.000 -5.732) 5.786 5.403 ( 1.796 0.000 -1.659) 2.445 5.409 ( 6.691 0.000 0.099) 6.692 5.520 ( 3.329 0.000 -3.860) 5.097 5.612 ( -3.164 0.000 2.380) 3.960 5.665 ( -1.752 0.000 -2.090) 2.727 5.774 ( -0.699 0.000 6.366) 6.404 5.890 ( -8.065 0.000 0.637) 8.090 5.915 ( 1.532 0.000 4.479) 4.733 5.985 ( 2.008 0.000 0.448) 2.057 6.057 ( 2.683 0.000 1.018) 2.870 6.123 ( 0.502 0.000 6.330) 6.350 6.174 ( -2.961 0.000 8.762) 9.249 6.358 ( -8.446 0.000 -15.013) 17.226 6.402 ( 1.017 0.000 -6.496) 6.575 6.523 ( -9.021 0.000 -1.578) 9.158 6.554 ( 6.127 0.000 2.560) 6.641 6.726 ( 4.577 0.000 1.162) 4.722 6.741 ( 2.346 0.000 -7.303) 7.670 6.899 ( 4.681 0.000 2.248) 5.193 6.946 ( -3.692 0.000 6.546) 7.515 7.065 ( -1.567 0.000 2.683) 3.107 7.175 ( 6.378 0.000 12.182) 13.750 7.285 ( -0.249 0.000 -5.757) 5.763 7.306 ( -0.949 0.000 -0.676) 1.165 7.380 ( -5.830 0.000 -2.899) 6.511 7.433 ( -4.608 0.000 1.409) 4.819 7.495 ( -2.019 0.000 5.890) 6.227 7.576 ( 0.011 0.000 -0.255) 0.255 7.592 ( -3.226 0.000 -2.418) 4.031 7.692 ( -3.954 0.000 -2.130) 4.492 7.775 ( 6.628 0.000 -2.148) 6.967 7.823 ( -4.029 0.000 -5.084) 6.487 7.874 ( -2.967 0.000 -3.176) 4.346 7.935 ( -1.933 0.000 -0.099) 1.936 8.024 ( 13.221 0.000 -1.218) 13.277 8.052 ( 3.540 0.000 1.893) 4.015 8.070 ( 2.903 0.000 2.012) 3.532 8.129 ( 7.109 0.000 -3.218) 7.804 8.191 ( -4.021 0.000 -1.611) 4.332 8.261 ( -2.616 0.000 0.621) 2.689 8.305 ( -4.119 0.000 5.917) 7.210 8.317 ( 14.828 0.000 -2.803) 15.090 8.355 ( -2.322 0.000 -1.510) 2.769 8.444 ( -4.549 0.000 2.402) 5.144 8.501 ( 3.084 0.000 5.775) 6.547 8.565 ( -3.530 0.000 1.805) 3.964 8.579 ( -4.499 0.000 -4.744) 6.538 8.677 ( -0.235 0.000 7.103) 7.107 8.679 ( -2.012 0.000 -4.006) 4.483 8.784 ( 4.014 0.000 4.258) 5.852 8.811 ( 3.086 0.000 -0.564) 3.137 8.875 ( -9.288 0.000 -2.250) 9.556 8.928 ( -0.222 0.000 -2.050) 2.062 9.018 ( 4.612 0.000 5.525) 7.197 9.037 ( -2.891 0.000 1.916) 3.468 9.106 ( 2.712 0.000 6.584) 7.121 9.181 ( -0.084 0.000 -1.961) 1.963 9.238 ( -3.134 0.000 -2.831) 4.223 9.346 ( 3.361 0.000 -3.222) 4.656 9.347 ( 4.446 0.000 -6.116) 7.561 9.455 ( 0.045 0.000 1.835) 1.836 9.546 ( 1.369 0.000 3.189) 3.470 9.577 ( 0.092 0.000 -0.879) 0.884 9.609 ( 0.166 0.000 2.023) 2.029 9.730 ( -5.570 0.000 8.064) 9.801 9.763 ( -3.321 0.000 -1.616) 3.694 9.816 ( 7.475 0.000 6.224) 9.728 9.912 ( -3.414 0.000 -2.043) 3.979 10.035 ( -4.161 0.000 -1.546) 4.439 10.059 ( 3.742 0.000 -3.645) 5.224 10.275 ( 2.046 0.000 -6.668) 6.975 10.301 ( -0.317 0.000 -8.688) 8.694 10.450 ( 0.250 0.000 2.999) 3.010 10.703 ( 1.707 0.000 9.424) 9.577 10.747 ( 0.921 0.000 -7.236) 7.294 10.833 ( 2.036 0.000 -8.581) 8.819 10.961 ( 0.862 0.000 -1.928) 2.112 11.277 ( 0.728 0.000 4.987) 5.040 11.486 ( 0.762 0.000 -6.836) 6.878 11.623 ( 0.173 0.000 2.451) 2.457 11.803 ( -3.158 0.000 -2.073) 3.777 12.053 ( -6.777 0.000 -7.464) 10.082 12.631 ( 2.204 0.000 5.400) 5.832 12.663 ( -0.688 0.000 3.896) 3.956 12.917 ( 4.310 0.000 3.485) 5.543 13.316 ( 1.397 0.000 -5.140) 5.326 13.850 ( -1.932 0.000 6.035) 6.337 14.031 ( -1.266 0.000 -1.211) 1.752 14.175 ( -2.825 0.000 -0.087) 2.827 14.425 ( 3.537 0.000 -1.509) 3.846 14.493 ( 0.366 0.000 1.801) 1.838 14.678 ( -1.368 0.000 -1.215) 1.829 14.913 ( 0.643 0.000 -3.186) 3.250 15.011 ( 1.397 0.000 -4.064) 4.298 16.329 ( 0.817 0.000 0.918) 1.229 16.344 ( -0.094 0.000 1.514) 1.517 16.758 ( 2.072 0.000 -2.442) 3.202 16.790 ( 2.296 0.000 -1.810) 2.924 17.040 ( 0.661 0.000 -1.941) 2.050 17.091 ( 0.877 0.000 0.119) 0.885 17.257 ( 1.681 0.000 -1.310) 2.131 17.276 ( -1.575 0.000 1.600) 2.245 17.341 ( -2.293 0.000 4.815) 5.333 17.373 ( -2.622 0.000 6.917) 7.397 17.474 ( 1.404 0.000 -2.066) 2.498 17.512 ( 0.504 0.000 0.933) 1.060 17.650 ( 1.080 0.000 -3.880) 4.027 17.660 ( 2.473 0.000 -10.210) 10.505 17.752 ( -1.152 0.000 6.236) 6.341 17.794 ( -0.522 0.000 8.574) 8.590 17.843 ( -1.300 0.000 3.735) 3.955 17.853 ( 1.812 0.000 0.212) 1.825 17.959 ( -1.028 0.000 -5.149) 5.251 18.002 ( 0.438 0.000 -4.368) 4.390 18.161 ( -1.626 0.000 -0.807) 1.815 18.289 ( -1.440 0.000 -4.278) 4.514 18.328 ( 2.495 0.000 -1.425) 2.874 18.419 ( -0.516 0.000 -3.455) 3.493 18.472 ( -0.839 0.000 3.298) 3.403 18.647 ( -4.527 0.000 7.618) 8.862 18.780 ( 0.500 0.000 -0.758) 0.908 18.816 ( -1.076 0.000 0.466) 1.173 21.322 ( -0.967 0.000 0.070) 0.969 21.365 ( 0.465 0.000 -0.846) 0.966 21.380 ( -8.372 0.000 -1.100) 8.444 21.381 ( -5.495 0.000 -0.189) 5.498 21.404 ( -9.735 0.000 -2.367) 10.019 21.469 ( 14.112 0.000 1.471) 14.188 21.485 ( 9.059 0.000 -0.035) 9.059 21.619 ( 10.733 0.000 -9.172) 14.118 21.659 ( -4.366 0.000 1.559) 4.636 21.739 ( 0.423 0.000 2.799) 2.831 21.744 ( 4.350 0.000 5.959) 7.378 22.085 ( -3.449 0.000 8.565) 9.233 27.017 ( -0.690 0.000 0.694) 0.978 27.035 ( -0.296 0.000 0.703) 0.763 27.129 ( 0.200 0.000 -0.886) 0.909 27.130 ( 0.681 0.000 -0.532) 0.864 27.524 ( -0.958 0.000 1.477) 1.760 27.555 ( -0.092 0.000 0.647) 0.654 27.558 ( -0.222 0.000 1.146) 1.167 27.597 ( -0.163 0.000 1.131) 1.143 27.868 ( 0.733 0.000 -0.241) 0.772 27.886 ( 1.070 0.000 -1.685) 1.996 27.899 ( 0.215 0.000 -1.110) 1.131 27.913 ( -0.776 0.000 -0.961) 1.235 36.886 ( 4.323 0.000 -3.199) 5.378 36.945 ( 5.466 0.000 -6.566) 8.544 37.080 ( -7.349 0.000 3.841) 8.292 37.234 ( 0.116 0.000 -4.847) 4.849 37.299 ( -1.531 0.000 1.190) 1.939 37.316 ( -3.179 0.000 -1.893) 3.699 37.468 ( -4.209 0.000 -8.361) 9.360 37.678 ( -7.868 0.000 -11.860) 14.233 37.767 ( -1.081 0.000 -1.211) 1.623 37.899 ( -4.463 0.000 12.325) 13.108 37.937 ( -0.945 0.000 3.062) 3.205 38.076 ( 11.808 0.000 10.016) 15.484 38.219 ( -3.332 0.000 1.128) 3.517 38.450 ( -0.610 0.000 2.974) 3.036 38.452 ( 0.678 0.000 -2.753) 2.836 38.648 ( -16.303 0.000 7.971) 18.148 38.824 ( -0.985 0.000 2.804) 2.972 38.839 ( 5.702 0.000 7.410) 9.350 38.897 ( 0.121 0.000 -2.730) 2.733 38.972 ( 17.485 0.000 -0.740) 17.501 39.242 ( -6.065 0.000 -5.158) 7.962 39.252 ( -1.727 0.000 -5.101) 5.385 39.280 ( 4.228 0.000 -3.743) 5.647 39.584 ( -3.225 0.000 -5.584) 6.448 ======================= Grid point 61 (25/96) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -12.115 0.000 -2.529) 12.377 1.798 ( -19.653 0.000 -15.129) 24.802 2.136 ( -4.664 0.000 -5.195) 6.981 2.176 ( 0.796 0.000 -5.194) 5.254 2.260 ( 3.399 0.000 -1.727) 3.812 2.300 ( -14.392 0.000 -8.533) 16.731 2.454 ( -1.891 0.000 -5.786) 6.087 2.627 ( 3.280 0.000 -5.361) 6.285 2.724 ( 3.000 0.000 8.921) 9.412 2.733 ( 0.224 0.000 1.845) 1.859 2.806 ( 3.379 0.000 -1.073) 3.545 2.824 ( -0.305 0.000 6.060) 6.068 2.903 ( -11.982 0.000 -0.231) 11.985 3.054 ( 9.874 0.000 4.615) 10.900 3.256 ( -10.532 0.000 3.589) 11.127 3.269 ( 5.113 0.000 -2.978) 5.917 3.467 ( -6.519 0.000 -0.292) 6.526 3.596 ( 7.901 0.000 0.634) 7.927 3.625 ( 5.741 0.000 3.103) 6.526 3.771 ( -6.251 0.000 -0.641) 6.284 3.874 ( 6.689 0.000 4.774) 8.218 4.033 ( -6.431 0.000 -4.638) 7.928 4.111 ( 1.219 0.000 2.818) 3.071 4.308 ( 0.847 0.000 9.250) 9.288 4.328 ( 12.101 0.000 4.543) 12.926 4.471 ( -4.899 0.000 -6.319) 7.996 4.578 ( 1.800 0.000 -7.365) 7.582 4.589 ( -4.607 0.000 0.401) 4.625 4.808 ( -3.124 0.000 5.584) 6.399 4.847 ( -0.580 0.000 1.547) 1.652 5.014 ( -2.058 0.000 6.417) 6.739 5.080 ( -3.961 0.000 1.444) 4.216 5.211 ( -9.985 0.000 -3.831) 10.694 5.315 ( -2.648 0.000 -1.526) 3.056 5.359 ( -6.334 0.000 -0.625) 6.364 5.500 ( 2.100 0.000 3.908) 4.437 5.503 ( -10.129 0.000 -0.364) 10.136 5.556 ( 2.373 0.000 -1.591) 2.857 5.646 ( -1.418 0.000 -3.139) 3.444 5.784 ( -0.927 0.000 3.106) 3.242 5.807 ( 0.425 0.000 2.453) 2.489 5.938 ( -4.822 0.000 1.821) 5.155 5.957 ( -4.059 0.000 2.005) 4.527 6.030 ( -4.767 0.000 4.228) 6.372 6.124 ( -5.228 0.000 1.060) 5.334 6.225 ( 2.038 0.000 5.109) 5.501 6.277 ( 3.268 0.000 -2.682) 4.227 6.341 ( -7.403 0.000 0.778) 7.444 6.376 ( 1.426 0.000 -5.853) 6.024 6.633 ( -0.853 0.000 1.273) 1.533 6.715 ( -2.865 0.000 1.686) 3.324 6.774 ( -1.799 0.000 -1.622) 2.422 6.828 ( -8.253 0.000 -5.121) 9.713 7.033 ( 7.523 0.000 6.799) 10.140 7.051 ( -1.058 0.000 1.046) 1.488 7.122 ( -10.902 0.000 0.014) 10.902 7.179 ( -4.601 0.000 -8.190) 9.393 7.221 ( -9.161 0.000 2.765) 9.570 7.291 ( -13.244 0.000 0.667) 13.260 7.391 ( 0.493 0.000 12.636) 12.646 7.463 ( -2.335 0.000 0.181) 2.342 7.485 ( -7.798 0.000 -0.345) 7.805 7.553 ( -1.403 0.000 -0.885) 1.659 7.618 ( -1.487 0.000 -1.984) 2.479 7.709 ( -3.827 0.000 -0.477) 3.856 7.788 ( -8.145 0.000 -8.127) 11.506 7.813 ( -2.225 0.000 1.176) 2.517 7.896 ( 1.958 0.000 -7.129) 7.393 8.035 ( -3.393 0.000 1.640) 3.769 8.050 ( -8.012 0.000 -2.709) 8.457 8.114 ( -9.267 0.000 -0.152) 9.268 8.138 ( -6.465 0.000 6.499) 9.167 8.163 ( -3.919 0.000 -4.457) 5.934 8.222 ( -1.662 0.000 3.079) 3.499 8.290 ( 8.105 0.000 1.445) 8.233 8.316 ( 3.929 0.000 1.272) 4.129 8.384 ( -2.567 0.000 -2.072) 3.299 8.527 ( 4.295 0.000 -5.203) 6.746 8.533 ( 5.930 0.000 5.213) 7.895 8.580 ( -2.748 0.000 -0.204) 2.755 8.593 ( -3.484 0.000 6.891) 7.722 8.625 ( 4.583 0.000 2.959) 5.455 8.750 ( 2.960 0.000 2.460) 3.849 8.802 ( 4.327 0.000 -1.952) 4.747 8.842 ( -2.484 0.000 1.718) 3.020 8.898 ( 6.148 0.000 0.569) 6.174 8.917 ( 2.923 0.000 -0.704) 3.006 9.019 ( 0.741 0.000 1.923) 2.061 9.132 ( -2.425 0.000 -2.981) 3.843 9.155 ( 5.732 0.000 3.696) 6.820 9.168 ( 0.173 0.000 -2.813) 2.818 9.197 ( 4.267 0.000 3.906) 5.785 9.350 ( -1.042 0.000 -0.489) 1.151 9.456 ( 7.720 0.000 -5.799) 9.656 9.457 ( 1.391 0.000 1.416) 1.985 9.561 ( 1.432 0.000 1.731) 2.246 9.651 ( 1.845 0.000 5.150) 5.470 9.669 ( -0.783 0.000 6.883) 6.928 9.771 ( 5.168 0.000 -0.403) 5.184 9.786 ( 7.158 0.000 -1.378) 7.290 9.838 ( 1.268 0.000 -5.734) 5.873 9.949 ( 5.565 0.000 2.890) 6.271 10.053 ( 6.359 0.000 -2.721) 6.916 10.176 ( 9.943 0.000 -1.237) 10.020 10.254 ( 2.172 0.000 -7.487) 7.796 10.384 ( 14.077 0.000 -2.373) 14.275 10.517 ( 4.657 0.000 4.844) 6.719 10.696 ( -0.996 0.000 -8.997) 9.052 10.790 ( 1.579 0.000 6.098) 6.299 10.879 ( 9.082 0.000 -5.499) 10.617 10.931 ( -0.720 0.000 -5.522) 5.568 11.357 ( 1.512 0.000 8.514) 8.647 11.470 ( 5.677 0.000 -10.717) 12.128 11.729 ( -2.247 0.000 -3.780) 4.398 11.746 ( 9.962 0.000 6.330) 11.803 11.891 ( -4.307 0.000 -8.801) 9.798 12.662 ( -2.358 0.000 4.009) 4.651 12.722 ( 1.805 0.000 8.419) 8.611 12.974 ( -0.870 0.000 0.091) 0.874 13.332 ( 5.167 0.000 -8.030) 9.549 13.866 ( -1.791 0.000 6.550) 6.791 14.017 ( 1.027 0.000 1.605) 1.905 14.125 ( -1.106 0.000 -2.911) 3.114 14.472 ( 2.393 0.000 -0.686) 2.489 14.524 ( 1.113 0.000 2.730) 2.948 14.652 ( -0.415 0.000 -1.507) 1.563 14.894 ( 0.824 0.000 -3.977) 4.061 15.016 ( 2.310 0.000 -4.776) 5.305 16.325 ( -1.564 0.000 1.788) 2.376 16.370 ( -0.121 0.000 3.937) 3.939 16.759 ( 0.110 0.000 -2.449) 2.452 16.805 ( 1.063 0.000 -2.240) 2.479 17.035 ( 0.320 0.000 -2.033) 2.058 17.097 ( -0.108 0.000 -0.192) 0.220 17.227 ( -1.539 0.000 1.007) 1.839 17.307 ( 1.508 0.000 -0.537) 1.601 17.332 ( -2.789 0.000 5.244) 5.939 17.385 ( -2.157 0.000 7.752) 8.046 17.479 ( 2.005 0.000 -5.775) 6.113 17.527 ( 0.204 0.000 0.158) 0.258 17.634 ( 2.140 0.000 -6.144) 6.506 17.648 ( 1.808 0.000 -3.325) 3.785 17.783 ( -0.559 0.000 5.352) 5.381 17.837 ( -1.325 0.000 8.631) 8.732 17.856 ( -0.809 0.000 -6.605) 6.655 17.881 ( 1.422 0.000 5.241) 5.430 17.900 ( -0.345 0.000 0.631) 0.719 18.004 ( 0.367 0.000 -0.395) 0.540 18.144 ( 1.100 0.000 -2.115) 2.385 18.217 ( -2.321 0.000 -5.758) 6.208 18.355 ( 2.908 0.000 -3.867) 4.838 18.377 ( -0.567 0.000 -5.521) 5.550 18.488 ( -0.420 0.000 3.844) 3.867 18.628 ( -3.979 0.000 7.621) 8.597 18.779 ( 0.057 0.000 -1.204) 1.206 18.805 ( -0.548 0.000 0.810) 0.979 21.036 ( -19.275 0.000 -0.716) 19.288 21.050 ( -19.548 0.000 -1.208) 19.585 21.096 ( -18.581 0.000 -2.961) 18.815 21.229 ( -17.287 0.000 1.508) 17.353 21.261 ( -15.424 0.000 2.394) 15.608 21.691 ( 11.146 0.000 -0.602) 11.162 21.728 ( 12.978 0.000 -0.798) 13.003 21.743 ( 9.808 0.000 -3.756) 10.503 21.796 ( 8.877 0.000 0.402) 8.886 21.803 ( 11.156 0.000 0.620) 11.173 21.969 ( 7.894 0.000 6.846) 10.449 22.105 ( -1.447 0.000 8.469) 8.591 27.010 ( -0.732 0.000 0.796) 1.081 27.034 ( -0.380 0.000 0.480) 0.612 27.124 ( 0.086 0.000 -0.883) 0.888 27.136 ( 0.246 0.000 -0.301) 0.388 27.518 ( -0.900 0.000 1.345) 1.618 27.563 ( 0.385 0.000 0.915) 0.993 27.572 ( 0.769 0.000 1.307) 1.517 27.606 ( 0.177 0.000 0.994) 1.010 27.868 ( 0.031 0.000 -0.542) 0.543 27.872 ( -0.916 0.000 -1.628) 1.868 27.917 ( 1.882 0.000 -1.292) 2.283 27.918 ( 2.281 0.000 -0.778) 2.410 36.925 ( 1.109 0.000 -1.668) 2.003 36.967 ( -6.023 0.000 0.791) 6.075 36.986 ( 4.052 0.000 -4.865) 6.332 37.184 ( -4.843 0.000 -2.339) 5.378 37.219 ( -0.275 0.000 -9.747) 9.751 37.246 ( -4.942 0.000 -1.251) 5.098 37.358 ( -4.228 0.000 -0.588) 4.268 37.428 ( -9.422 0.000 -9.627) 13.470 37.722 ( -3.184 0.000 -0.923) 3.315 37.883 ( -7.463 0.000 11.798) 13.961 37.883 ( -8.236 0.000 2.454) 8.594 38.067 ( -3.714 0.000 -7.189) 8.091 38.342 ( -3.367 0.000 6.235) 7.086 38.425 ( -10.618 0.000 -0.566) 10.633 38.464 ( 11.350 0.000 8.157) 13.977 38.493 ( -0.970 0.000 3.474) 3.607 38.712 ( -13.751 0.000 0.930) 13.783 38.741 ( -8.530 0.000 1.138) 8.605 39.082 ( 10.704 0.000 11.006) 15.353 39.276 ( 7.536 0.000 -6.784) 10.140 39.306 ( 17.937 0.000 -7.175) 19.319 39.358 ( 22.942 0.000 -3.958) 23.281 39.546 ( 25.002 0.000 0.943) 25.020 39.674 ( 17.823 0.000 -7.564) 19.362 ======================= Grid point 62 (26/96) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -23.489 0.000 -9.610) 25.379 1.474 ( -21.051 0.000 -0.691) 21.062 1.978 ( -11.764 0.000 -2.827) 12.099 2.024 ( -2.309 0.000 -6.839) 7.218 2.224 ( -0.124 0.000 -1.761) 1.766 2.301 ( 0.078 0.000 -0.048) 0.091 2.330 ( -2.267 0.000 -3.039) 3.791 2.512 ( -17.667 0.000 -1.587) 17.739 2.717 ( -8.882 0.000 3.175) 9.432 2.719 ( -3.182 0.000 3.035) 4.397 2.836 ( 4.731 0.000 -3.725) 6.022 2.865 ( 2.474 0.000 4.092) 4.782 2.919 ( 8.558 0.000 -6.562) 10.784 3.087 ( -5.352 0.000 2.720) 6.004 3.218 ( 6.866 0.000 0.273) 6.871 3.325 ( -2.894 0.000 7.140) 7.704 3.439 ( 4.981 0.000 2.905) 5.766 3.648 ( -4.446 0.000 1.434) 4.671 3.721 ( 2.155 0.000 -1.184) 2.459 3.803 ( 12.254 0.000 -1.006) 12.295 3.906 ( -2.055 0.000 -3.342) 3.923 3.970 ( 2.971 0.000 -4.727) 5.583 4.105 ( -3.435 0.000 3.796) 5.119 4.360 ( -5.056 0.000 1.726) 5.342 4.372 ( -2.703 0.000 8.229) 8.661 4.487 ( -2.111 0.000 -3.685) 4.247 4.515 ( 3.506 0.000 -0.059) 3.506 4.606 ( 5.327 0.000 -3.076) 6.151 4.780 ( -3.411 0.000 1.307) 3.653 4.824 ( -4.378 0.000 4.246) 6.099 4.961 ( -6.987 0.000 -9.669) 11.929 4.974 ( -9.973 0.000 3.342) 10.518 5.013 ( -6.949 0.000 0.806) 6.996 5.223 ( -9.583 0.000 5.589) 11.093 5.263 ( -3.645 0.000 4.003) 5.414 5.291 ( -11.509 0.000 -0.969) 11.550 5.525 ( -4.033 0.000 3.855) 5.579 5.542 ( -3.748 0.000 -2.461) 4.484 5.596 ( -0.744 0.000 -0.671) 1.002 5.753 ( -5.196 0.000 -4.679) 6.992 5.802 ( -3.046 0.000 0.119) 3.049 5.802 ( -4.181 0.000 -1.496) 4.440 5.989 ( -3.865 0.000 1.769) 4.251 5.993 ( -0.882 0.000 4.523) 4.608 6.027 ( -3.208 0.000 2.869) 4.304 6.219 ( -3.950 0.000 4.670) 6.116 6.252 ( -2.794 0.000 5.308) 5.999 6.337 ( -4.221 0.000 0.125) 4.223 6.373 ( 0.125 0.000 3.610) 3.612 6.581 ( -5.352 0.000 0.362) 5.365 6.604 ( -10.478 0.000 -5.923) 12.036 6.682 ( -0.566 0.000 -2.988) 3.041 6.712 ( -1.174 0.000 6.113) 6.225 6.916 ( -12.379 0.000 -4.803) 13.278 6.961 ( -9.333 0.000 -1.904) 9.525 7.001 ( -15.574 0.000 -3.311) 15.922 7.123 ( 3.760 0.000 -3.434) 5.092 7.160 ( -1.745 0.000 3.875) 4.250 7.258 ( 8.951 0.000 6.198) 10.887 7.294 ( -10.080 0.000 4.551) 11.060 7.400 ( -2.690 0.000 -5.020) 5.695 7.415 ( -8.466 0.000 4.591) 9.631 7.502 ( -5.503 0.000 1.598) 5.730 7.567 ( -7.634 0.000 -6.140) 9.797 7.640 ( 1.566 0.000 6.812) 6.990 7.693 ( -0.286 0.000 3.640) 3.651 7.795 ( -4.209 0.000 -9.892) 10.750 7.822 ( 0.874 0.000 2.886) 3.015 7.883 ( -8.617 0.000 0.750) 8.649 7.888 ( -11.522 0.000 -1.364) 11.602 7.943 ( -8.619 0.000 0.472) 8.632 7.974 ( -7.650 0.000 -1.122) 7.732 8.155 ( 0.350 0.000 0.445) 0.566 8.184 ( -2.436 0.000 -1.422) 2.821 8.356 ( 0.371 0.000 -0.475) 0.603 8.408 ( 2.978 0.000 5.218) 6.007 8.460 ( -4.958 0.000 6.669) 8.310 8.496 ( 2.338 0.000 3.536) 4.239 8.497 ( -6.448 0.000 0.812) 6.499 8.623 ( 6.348 0.000 -3.643) 7.319 8.631 ( 0.053 0.000 2.692) 2.693 8.694 ( 3.563 0.000 -0.188) 3.568 8.730 ( -1.256 0.000 -5.572) 5.712 8.802 ( -1.568 0.000 -4.600) 4.860 8.954 ( 10.755 0.000 -0.156) 10.756 8.983 ( 3.817 0.000 0.472) 3.846 9.032 ( 6.221 0.000 2.393) 6.665 9.037 ( -1.176 0.000 -1.815) 2.163 9.114 ( -1.214 0.000 3.033) 3.267 9.200 ( 5.566 0.000 0.005) 5.566 9.254 ( 3.574 0.000 -0.725) 3.647 9.303 ( 7.044 0.000 3.394) 7.819 9.378 ( 3.562 0.000 2.470) 4.334 9.445 ( -2.368 0.000 -1.115) 2.617 9.529 ( 5.265 0.000 0.371) 5.279 9.662 ( -0.067 0.000 0.309) 0.316 9.736 ( 12.691 0.000 1.135) 12.741 9.746 ( 3.522 0.000 7.523) 8.306 9.784 ( 2.709 0.000 -4.337) 5.114 9.918 ( 7.816 0.000 -4.826) 9.186 9.926 ( 6.171 0.000 1.125) 6.272 10.022 ( -0.381 0.000 -1.818) 1.857 10.160 ( 9.740 0.000 -5.155) 11.020 10.336 ( 7.078 0.000 0.289) 7.084 10.341 ( 13.849 0.000 -2.465) 14.066 10.543 ( -3.406 0.000 -8.210) 8.889 10.662 ( 5.886 0.000 4.841) 7.621 10.701 ( 17.277 0.000 -2.935) 17.525 10.875 ( 3.885 0.000 6.397) 7.484 10.886 ( 2.016 0.000 -6.494) 6.800 11.040 ( 12.593 0.000 -3.927) 13.191 11.406 ( 1.635 0.000 -1.868) 2.482 11.554 ( 7.991 0.000 -0.956) 8.048 11.672 ( -1.442 0.000 -4.068) 4.316 11.786 ( -1.176 0.000 -5.342) 5.470 12.032 ( 14.837 0.000 8.309) 17.005 12.643 ( -2.983 0.000 3.694) 4.748 12.809 ( 0.561 0.000 8.830) 8.848 12.871 ( -8.244 0.000 -5.437) 9.876 13.340 ( 4.247 0.000 -14.451) 15.062 13.868 ( -3.479 0.000 5.643) 6.629 14.115 ( 7.227 0.000 4.339) 8.430 14.119 ( 3.857 0.000 -3.647) 5.308 14.502 ( 1.453 0.000 0.894) 1.706 14.565 ( 1.152 0.000 2.515) 2.766 14.642 ( 0.052 0.000 0.038) 0.064 14.890 ( 2.028 0.000 -4.165) 4.632 15.016 ( 2.201 0.000 -5.554) 5.975 16.312 ( -2.439 0.000 4.545) 5.158 16.389 ( -1.409 0.000 4.734) 4.939 16.728 ( -1.155 0.000 -2.969) 3.186 16.791 ( -0.025 0.000 -4.034) 4.034 17.018 ( -0.175 0.000 -3.031) 3.036 17.089 ( -0.618 0.000 0.232) 0.660 17.231 ( 0.954 0.000 0.582) 1.117 17.319 ( 0.324 0.000 0.691) 0.763 17.323 ( -3.151 0.000 6.165) 6.923 17.408 ( -1.902 0.000 7.722) 7.952 17.443 ( 1.725 0.000 -12.545) 12.663 17.516 ( -0.705 0.000 -1.373) 1.544 17.652 ( 2.091 0.000 -0.605) 2.177 17.664 ( 2.122 0.000 -1.767) 2.761 17.774 ( -1.651 0.000 -6.088) 6.308 17.809 ( -0.766 0.000 4.824) 4.884 17.894 ( 1.061 0.000 6.984) 7.064 17.928 ( 1.507 0.000 1.735) 2.298 17.945 ( 0.535 0.000 6.215) 6.238 18.000 ( -0.761 0.000 0.899) 1.178 18.134 ( -2.045 0.000 -4.965) 5.369 18.164 ( 2.801 0.000 -2.402) 3.690 18.318 ( -0.788 0.000 -6.896) 6.941 18.375 ( 2.874 0.000 -4.135) 5.035 18.510 ( -0.205 0.000 3.223) 3.230 18.624 ( -2.905 0.000 7.910) 8.427 18.765 ( -0.349 0.000 -1.655) 1.691 18.811 ( 0.154 0.000 1.624) 1.631 20.694 ( -18.920 0.000 -0.330) 18.923 20.698 ( -19.312 0.000 -0.675) 19.324 20.742 ( -19.381 0.000 -1.760) 19.460 20.892 ( -21.237 0.000 0.653) 21.247 20.945 ( -21.316 0.000 1.654) 21.380 21.834 ( 5.127 0.000 0.944) 5.213 21.890 ( 9.235 0.000 -2.375) 9.535 21.912 ( 9.534 0.000 -1.911) 9.723 21.960 ( 7.852 0.000 1.617) 8.017 21.978 ( 7.772 0.000 1.080) 7.846 22.114 ( 4.070 0.000 4.449) 6.030 22.156 ( 1.314 0.000 4.552) 4.738 27.004 ( -0.745 0.000 1.023) 1.266 27.029 ( -0.531 0.000 0.294) 0.607 27.119 ( 0.014 0.000 -0.582) 0.583 27.134 ( -0.178 0.000 -0.361) 0.402 27.516 ( -0.403 0.000 1.390) 1.447 27.583 ( 0.965 0.000 1.199) 1.539 27.600 ( 1.141 0.000 1.182) 1.642 27.616 ( 0.198 0.000 0.686) 0.714 27.842 ( -0.906 0.000 -1.891) 2.097 27.868 ( 0.591 0.000 -1.020) 1.179 27.949 ( 2.669 0.000 -0.894) 2.815 27.956 ( 2.443 0.000 -0.669) 2.533 36.819 ( -7.313 0.000 -0.936) 7.372 36.974 ( 2.283 0.000 -0.609) 2.362 37.017 ( 1.491 0.000 -0.653) 1.628 37.052 ( -3.420 0.000 -7.798) 8.515 37.116 ( -6.496 0.000 -3.323) 7.297 37.169 ( -2.339 0.000 -0.394) 2.372 37.244 ( -6.979 0.000 -2.470) 7.403 37.295 ( -3.345 0.000 0.672) 3.412 37.643 ( -6.521 0.000 2.461) 6.970 37.735 ( -8.097 0.000 0.169) 8.099 37.829 ( -5.757 0.000 6.761) 8.880 38.001 ( -0.354 0.000 -4.398) 4.412 38.170 ( -10.401 0.000 -1.022) 10.451 38.303 ( -3.556 0.000 -3.288) 4.844 38.420 ( -8.941 0.000 -2.134) 9.192 38.553 ( -3.966 0.000 4.153) 5.743 38.584 ( -9.330 0.000 0.929) 9.376 38.849 ( 17.795 0.000 12.415) 21.698 39.377 ( 13.166 0.000 10.646) 16.932 39.380 ( 10.368 0.000 -8.747) 13.565 39.504 ( 13.796 0.000 -10.880) 17.570 39.851 ( 31.413 0.000 -0.021) 31.413 40.017 ( 25.404 0.000 -6.069) 26.119 40.042 ( 28.475 0.000 1.835) 28.534 ======================= Grid point 63 (27/96) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -23.457 0.000 8.181) 24.842 1.033 ( -27.459 0.000 0.626) 27.466 1.805 ( -9.156 0.000 2.663) 9.535 1.806 ( -35.739 0.000 2.164) 35.804 2.040 ( -5.016 0.000 -8.385) 9.770 2.098 ( -7.691 0.000 -1.520) 7.840 2.360 ( -2.353 0.000 -1.103) 2.599 2.441 ( 7.939 0.000 3.996) 8.888 2.627 ( -3.632 0.000 4.081) 5.463 2.690 ( -1.098 0.000 0.542) 1.225 2.850 ( 2.281 0.000 -7.155) 7.509 2.881 ( -2.085 0.000 -0.478) 2.139 2.958 ( 2.443 0.000 -9.027) 9.351 3.184 ( 11.101 0.000 -0.689) 11.123 3.310 ( 2.705 0.000 1.091) 2.917 3.365 ( 3.265 0.000 5.152) 6.100 3.570 ( 7.641 0.000 -0.790) 7.682 3.582 ( -5.546 0.000 7.292) 9.162 3.742 ( 2.540 0.000 0.328) 2.561 3.905 ( 1.444 0.000 -2.112) 2.558 3.911 ( -0.067 0.000 -5.570) 5.571 4.025 ( 10.750 0.000 -4.585) 11.688 4.079 ( -2.681 0.000 5.281) 5.922 4.238 ( -9.608 0.000 0.066) 9.608 4.339 ( -6.756 0.000 7.101) 9.801 4.459 ( 0.911 0.000 1.254) 1.550 4.527 ( -4.357 0.000 2.803) 5.181 4.645 ( -1.958 0.000 -7.378) 7.634 4.711 ( -4.103 0.000 2.558) 4.835 4.739 ( -3.796 0.000 -13.620) 14.139 4.743 ( -8.499 0.000 -4.075) 9.425 4.801 ( -9.375 0.000 5.517) 10.878 4.915 ( -3.546 0.000 -1.553) 3.871 5.078 ( -8.414 0.000 -0.455) 8.426 5.200 ( -5.610 0.000 15.578) 16.557 5.235 ( -6.769 0.000 5.321) 8.610 5.353 ( -9.275 0.000 -1.336) 9.370 5.440 ( -6.732 0.000 -0.547) 6.754 5.610 ( 2.825 0.000 -4.585) 5.386 5.677 ( 0.553 0.000 -5.944) 5.969 5.697 ( -7.080 0.000 2.189) 7.411 5.776 ( -2.523 0.000 7.802) 8.200 5.881 ( -5.624 0.000 -0.512) 5.647 5.941 ( -3.501 0.000 -1.429) 3.781 6.065 ( -0.285 0.000 4.793) 4.802 6.163 ( -10.302 0.000 -0.337) 10.308 6.228 ( -3.875 0.000 8.474) 9.318 6.267 ( -0.374 0.000 3.237) 3.259 6.395 ( -7.655 0.000 -3.447) 8.395 6.430 ( -3.575 0.000 4.065) 5.413 6.469 ( -5.358 0.000 1.392) 5.536 6.571 ( -9.388 0.000 -10.156) 13.831 6.638 ( -14.174 0.000 -0.401) 14.179 6.740 ( -10.054 0.000 -5.287) 11.359 6.795 ( 5.985 0.000 1.934) 6.290 6.863 ( -0.871 0.000 2.052) 2.229 7.090 ( -5.178 0.000 -2.249) 5.646 7.179 ( 0.332 0.000 0.161) 0.369 7.193 ( -4.940 0.000 4.920) 6.972 7.276 ( -5.594 0.000 -5.832) 8.081 7.329 ( -2.408 0.000 -1.506) 2.840 7.372 ( -1.666 0.000 0.804) 1.850 7.461 ( 4.030 0.000 1.330) 4.244 7.508 ( -0.051 0.000 7.275) 7.275 7.646 ( -2.804 0.000 -11.836) 12.163 7.676 ( -9.128 0.000 -2.382) 9.433 7.681 ( -1.794 0.000 -3.107) 3.588 7.707 ( -4.786 0.000 9.464) 10.606 7.806 ( -0.246 0.000 10.663) 10.666 7.818 ( -6.847 0.000 1.452) 7.000 7.877 ( -2.509 0.000 1.099) 2.739 7.926 ( 2.534 0.000 7.556) 7.969 8.092 ( -4.716 0.000 -6.454) 7.993 8.192 ( 1.040 0.000 4.206) 4.332 8.295 ( -5.552 0.000 -4.191) 6.956 8.383 ( -2.056 0.000 3.233) 3.831 8.409 ( 0.629 0.000 -0.330) 0.711 8.498 ( 0.811 0.000 5.365) 5.425 8.552 ( -7.457 0.000 6.931) 10.181 8.649 ( -1.640 0.000 -4.402) 4.698 8.676 ( 5.281 0.000 4.754) 7.106 8.696 ( 3.298 0.000 -6.911) 7.657 8.739 ( 0.140 0.000 -5.739) 5.740 8.750 ( 3.145 0.000 -2.450) 3.987 8.950 ( -2.111 0.000 -5.735) 6.111 9.039 ( 0.472 0.000 0.756) 0.891 9.118 ( 7.679 0.000 -1.203) 7.773 9.131 ( -0.460 0.000 3.459) 3.490 9.148 ( 4.682 0.000 5.707) 7.382 9.270 ( 1.939 0.000 -3.416) 3.928 9.335 ( 4.603 0.000 -1.276) 4.777 9.400 ( 4.596 0.000 -5.116) 6.878 9.423 ( -0.534 0.000 2.933) 2.982 9.504 ( 6.610 0.000 4.893) 8.224 9.615 ( 5.083 0.000 -2.275) 5.569 9.660 ( 1.801 0.000 -3.038) 3.532 9.826 ( 4.045 0.000 -0.596) 4.089 9.884 ( 5.665 0.000 5.323) 7.774 9.913 ( 3.345 0.000 -2.068) 3.933 9.960 ( -1.789 0.000 -6.867) 7.097 10.008 ( 4.894 0.000 -0.931) 4.982 10.033 ( 6.767 0.000 4.131) 7.929 10.323 ( 12.628 0.000 -4.938) 13.559 10.369 ( -3.238 0.000 -4.493) 5.538 10.417 ( -0.863 0.000 -4.769) 4.846 10.628 ( 14.774 0.000 4.752) 15.519 10.769 ( 4.314 0.000 6.811) 8.062 10.938 ( 9.258 0.000 -4.453) 10.273 10.994 ( 14.683 0.000 -1.072) 14.722 11.047 ( 8.402 0.000 10.381) 13.355 11.233 ( 11.743 0.000 -3.917) 12.379 11.417 ( 3.517 0.000 -6.218) 7.144 11.598 ( -3.633 0.000 -4.166) 5.528 11.690 ( 5.375 0.000 3.871) 6.623 11.788 ( 3.960 0.000 -0.404) 3.980 12.330 ( 11.475 0.000 6.652) 13.264 12.615 ( -2.770 0.000 2.605) 3.802 12.632 ( -13.071 0.000 -6.607) 14.645 12.864 ( -1.205 0.000 7.128) 7.230 13.237 ( -0.615 0.000 -24.239) 24.247 13.833 ( -3.930 0.000 3.517) 5.274 14.207 ( 7.865 0.000 -1.934) 8.100 14.296 ( 9.143 0.000 2.625) 9.512 14.554 ( 3.157 0.000 3.605) 4.792 14.597 ( 0.910 0.000 1.073) 1.407 14.657 ( 0.103 0.000 3.502) 3.504 14.892 ( 1.671 0.000 -4.405) 4.712 15.017 ( 2.675 0.000 -5.215) 5.861 16.320 ( -1.549 0.000 8.360) 8.502 16.390 ( -2.445 0.000 5.370) 5.901 16.686 ( -0.872 0.000 -3.018) 3.142 16.745 ( -0.523 0.000 -6.937) 6.956 16.987 ( -0.394 0.000 -3.645) 3.666 17.081 ( -0.477 0.000 0.408) 0.628 17.250 ( 1.978 0.000 -3.291) 3.840 17.308 ( -3.939 0.000 6.306) 7.435 17.334 ( 0.669 0.000 -5.064) 5.108 17.380 ( 1.865 0.000 -5.742) 6.038 17.429 ( -1.939 0.000 6.628) 6.905 17.496 ( -0.235 0.000 -0.725) 0.762 17.647 ( -0.894 0.000 -4.669) 4.754 17.695 ( 2.269 0.000 -0.400) 2.304 17.752 ( 1.158 0.000 1.851) 2.183 17.829 ( -0.622 0.000 3.886) 3.935 17.937 ( -0.487 0.000 -3.037) 3.076 17.960 ( 0.821 0.000 0.148) 0.834 17.991 ( 0.642 0.000 8.334) 8.358 18.007 ( 0.628 0.000 2.275) 2.360 18.102 ( -0.433 0.000 1.835) 1.886 18.198 ( 2.450 0.000 -1.160) 2.711 18.258 ( -0.121 0.000 -5.579) 5.580 18.394 ( 2.384 0.000 -3.320) 4.087 18.527 ( -0.185 0.000 2.421) 2.428 18.649 ( -1.100 0.000 8.458) 8.529 18.746 ( -0.260 0.000 -1.659) 1.679 18.834 ( 0.601 0.000 2.580) 2.649 20.383 ( -15.700 0.000 -0.186) 15.701 20.387 ( -15.445 0.000 -0.227) 15.447 20.411 ( -16.788 0.000 -0.469) 16.794 20.521 ( -20.470 0.000 -0.157) 20.471 20.569 ( -21.684 0.000 0.654) 21.694 21.876 ( 0.017 0.000 -7.803) 7.803 22.014 ( 6.197 0.000 -1.011) 6.279 22.039 ( 6.357 0.000 -1.393) 6.507 22.081 ( 4.692 0.000 1.227) 4.850 22.090 ( 4.889 0.000 -1.004) 4.991 22.186 ( 1.404 0.000 2.572) 2.930 22.192 ( 1.877 0.000 -4.381) 4.766 26.998 ( -0.793 0.000 0.811) 1.134 27.023 ( -0.461 0.000 0.752) 0.882 27.116 ( -0.081 0.000 -0.141) 0.163 27.125 ( -0.366 0.000 -0.634) 0.732 27.525 ( 0.179 0.000 1.539) 1.549 27.610 ( 0.658 0.000 1.446) 1.589 27.625 ( 0.950 0.000 0.557) 1.101 27.626 ( 0.715 0.000 0.538) 0.894 27.814 ( -0.603 0.000 -1.936) 2.028 27.873 ( 0.904 0.000 -1.409) 1.674 27.990 ( 2.029 0.000 -0.889) 2.215 27.994 ( 2.822 0.000 -0.465) 2.860 36.696 ( -5.009 0.000 -2.128) 5.442 36.923 ( -2.421 0.000 -9.011) 9.330 36.990 ( -2.457 0.000 -0.213) 2.466 37.030 ( -0.545 0.000 2.664) 2.719 37.082 ( -2.168 0.000 10.278) 10.504 37.128 ( -5.156 0.000 0.010) 5.156 37.161 ( 1.403 0.000 12.138) 12.219 37.247 ( -2.743 0.000 1.446) 3.101 37.533 ( -7.978 0.000 3.051) 8.542 37.616 ( -5.323 0.000 -0.797) 5.382 37.818 ( -0.574 0.000 7.497) 7.519 37.972 ( -0.051 0.000 -2.709) 2.710 38.031 ( -4.995 0.000 4.930) 7.019 38.230 ( -2.818 0.000 -1.412) 3.151 38.255 ( -7.378 0.000 -0.834) 7.425 38.444 ( -6.905 0.000 0.382) 6.916 38.544 ( -0.109 0.000 -0.334) 0.351 39.204 ( 13.393 0.000 4.452) 14.114 39.516 ( 10.593 0.000 -0.683) 10.615 39.606 ( 10.204 0.000 -13.864) 17.214 39.698 ( 11.330 0.000 11.824) 16.376 40.375 ( 27.045 0.000 -1.701) 27.099 40.428 ( 24.896 0.000 -4.730) 25.341 40.542 ( 26.124 0.000 3.006) 26.296 ======================= Grid point 64 (28/96) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -24.334 0.000 14.242) 28.195 0.679 ( -19.163 0.000 25.496) 31.894 1.140 ( -40.018 0.000 32.316) 51.437 1.688 ( -7.339 0.000 5.226) 9.009 1.953 ( 3.531 0.000 -19.155) 19.477 1.995 ( -1.937 0.000 -2.046) 2.817 2.255 ( -7.308 0.000 -0.442) 7.321 2.440 ( -5.279 0.000 -2.129) 5.692 2.638 ( -1.260 0.000 -13.680) 13.737 2.744 ( 0.276 0.000 6.328) 6.334 2.839 ( 6.332 0.000 -1.083) 6.424 2.842 ( -3.842 0.000 3.430) 5.150 2.921 ( 1.587 0.000 -2.180) 2.696 3.325 ( 6.887 0.000 -8.152) 10.672 3.361 ( 4.473 0.000 -2.755) 5.253 3.485 ( 7.668 0.000 0.210) 7.670 3.619 ( 0.777 0.000 17.383) 17.401 3.679 ( 5.590 0.000 -4.043) 6.899 3.816 ( 3.652 0.000 0.067) 3.652 3.869 ( -0.173 0.000 -3.283) 3.288 3.895 ( -1.413 0.000 1.315) 1.930 4.073 ( -3.464 0.000 -1.272) 3.690 4.080 ( -3.883 0.000 4.602) 6.022 4.132 ( -1.955 0.000 0.392) 1.994 4.235 ( -9.479 0.000 6.191) 11.322 4.410 ( -10.577 0.000 1.505) 10.684 4.459 ( -4.395 0.000 -1.952) 4.809 4.510 ( -1.308 0.000 -15.027) 15.084 4.542 ( -6.051 0.000 4.398) 7.480 4.570 ( -2.267 0.000 -2.392) 3.296 4.734 ( 0.913 0.000 -2.667) 2.819 4.743 ( 0.187 0.000 -4.077) 4.081 4.878 ( -0.430 0.000 -0.157) 0.457 4.992 ( -3.701 0.000 7.223) 8.116 5.060 ( -8.653 0.000 -1.412) 8.768 5.261 ( 0.908 0.000 10.155) 10.195 5.303 ( -1.940 0.000 -0.194) 1.950 5.355 ( -3.614 0.000 8.078) 8.849 5.509 ( -4.936 0.000 -15.972) 16.717 5.654 ( 0.443 0.000 -3.812) 3.838 5.691 ( -2.586 0.000 8.649) 9.027 5.784 ( -2.868 0.000 4.892) 5.670 5.838 ( 0.195 0.000 1.082) 1.099 5.863 ( -3.969 0.000 -0.022) 3.969 6.030 ( -23.385 0.000 -16.841) 28.818 6.033 ( -4.997 0.000 0.198) 5.001 6.084 ( 1.244 0.000 0.983) 1.586 6.218 ( -2.281 0.000 0.776) 2.409 6.260 ( -1.347 0.000 -0.866) 1.602 6.309 ( -2.148 0.000 0.773) 2.283 6.344 ( -6.217 0.000 1.169) 6.326 6.479 ( -7.703 0.000 7.125) 10.494 6.502 ( -10.068 0.000 -3.442) 10.640 6.638 ( 5.588 0.000 5.788) 8.046 6.827 ( -4.940 0.000 -2.006) 5.331 6.888 ( 3.293 0.000 -0.761) 3.380 7.018 ( -1.398 0.000 -2.573) 2.928 7.050 ( -3.351 0.000 -1.424) 3.641 7.180 ( -2.790 0.000 3.887) 4.784 7.280 ( 2.203 0.000 -1.479) 2.654 7.341 ( -0.985 0.000 -2.605) 2.785 7.345 ( 6.093 0.000 -3.865) 7.216 7.458 ( -1.389 0.000 -7.932) 8.052 7.491 ( -1.056 0.000 -3.139) 3.312 7.509 ( -9.567 0.000 0.471) 9.578 7.629 ( 1.172 0.000 -6.751) 6.852 7.660 ( -0.450 0.000 7.277) 7.290 7.698 ( -1.933 0.000 11.394) 11.557 7.742 ( -3.285 0.000 3.870) 5.076 7.856 ( -2.715 0.000 4.205) 5.006 7.898 ( -0.379 0.000 9.413) 9.420 7.959 ( -2.292 0.000 -8.847) 9.139 7.987 ( -5.134 0.000 -6.148) 8.010 8.147 ( -3.685 0.000 -1.115) 3.850 8.197 ( -1.798 0.000 -3.280) 3.741 8.359 ( -3.154 0.000 -0.011) 3.154 8.463 ( -5.934 0.000 -9.829) 11.481 8.474 ( -5.906 0.000 7.526) 9.567 8.498 ( 3.585 0.000 -6.408) 7.342 8.598 ( 0.467 0.000 -4.493) 4.517 8.711 ( 3.442 0.000 -0.886) 3.554 8.753 ( 1.036 0.000 -3.176) 3.341 8.773 ( 0.990 0.000 0.563) 1.139 8.799 ( 10.465 0.000 4.851) 11.535 8.937 ( 2.036 0.000 1.337) 2.435 9.039 ( 0.985 0.000 3.621) 3.752 9.137 ( 0.049 0.000 -0.729) 0.730 9.183 ( 2.295 0.000 -3.276) 4.000 9.237 ( -2.019 0.000 1.641) 2.602 9.277 ( 3.548 0.000 5.580) 6.612 9.341 ( 0.740 0.000 -7.303) 7.341 9.434 ( -0.809 0.000 1.336) 1.562 9.457 ( 4.274 0.000 -1.070) 4.406 9.587 ( 3.542 0.000 -7.773) 8.542 9.690 ( 3.261 0.000 -1.447) 3.567 9.690 ( 3.077 0.000 2.475) 3.949 9.818 ( -4.500 0.000 -11.538) 12.385 9.915 ( 4.800 0.000 3.475) 5.926 9.928 ( -0.064 0.000 1.407) 1.409 9.972 ( 1.637 0.000 -1.584) 2.278 10.075 ( 0.688 0.000 5.980) 6.019 10.143 ( 2.942 0.000 -0.688) 3.022 10.294 ( 0.061 0.000 -3.671) 3.671 10.411 ( 1.123 0.000 3.090) 3.287 10.483 ( 5.253 0.000 2.154) 5.678 10.785 ( 1.568 0.000 6.298) 6.490 11.076 ( 8.992 0.000 -4.685) 10.139 11.077 ( 17.397 0.000 4.138) 17.882 11.185 ( 7.430 0.000 -0.800) 7.473 11.318 ( 8.299 0.000 -3.218) 8.901 11.431 ( 10.643 0.000 9.396) 14.196 11.451 ( 4.205 0.000 -2.622) 4.955 11.557 ( 13.094 0.000 24.346) 27.644 11.778 ( 1.413 0.000 3.213) 3.510 11.935 ( 11.796 0.000 3.698) 12.362 12.345 ( -14.446 0.000 -3.926) 14.970 12.497 ( 3.491 0.000 2.156) 4.103 12.589 ( -1.415 0.000 0.810) 1.631 12.867 ( -3.498 0.000 4.122) 5.406 12.907 ( -15.682 0.000 -26.771) 31.026 13.800 ( -2.537 0.000 3.561) 4.373 14.332 ( 6.575 0.000 -0.517) 6.596 14.434 ( 4.887 0.000 0.260) 4.894 14.615 ( 0.324 0.000 0.837) 0.897 14.680 ( 7.963 0.000 2.620) 8.383 14.694 ( 0.097 0.000 5.527) 5.527 14.880 ( 0.600 0.000 -4.581) 4.621 15.034 ( 3.027 0.000 -4.052) 5.058 16.331 ( -2.400 0.000 0.303) 2.419 16.488 ( 7.958 0.000 14.276) 16.344 16.656 ( -0.173 0.000 -3.967) 3.970 16.683 ( 0.876 0.000 -8.443) 8.489 16.962 ( 0.555 0.000 -2.407) 2.470 17.086 ( 0.795 0.000 1.867) 2.029 17.224 ( 0.125 0.000 -12.894) 12.894 17.279 ( 2.680 0.000 -6.873) 7.377 17.285 ( -3.487 0.000 6.435) 7.319 17.435 ( 2.322 0.000 3.812) 4.463 17.435 ( -1.527 0.000 3.726) 4.027 17.505 ( -0.025 0.000 2.848) 2.848 17.592 ( -0.804 0.000 -4.704) 4.772 17.734 ( 2.267 0.000 0.651) 2.359 17.800 ( 1.557 0.000 3.692) 4.006 17.841 ( -0.965 0.000 2.902) 3.058 17.885 ( -0.577 0.000 -3.642) 3.687 17.962 ( 0.046 0.000 -0.967) 0.968 18.048 ( 1.381 0.000 3.173) 3.461 18.076 ( -2.240 0.000 -2.643) 3.464 18.082 ( 1.930 0.000 7.727) 7.964 18.230 ( 1.616 0.000 0.180) 1.626 18.272 ( 2.718 0.000 3.700) 4.591 18.407 ( 1.239 0.000 -2.079) 2.420 18.540 ( -0.197 0.000 1.872) 1.882 18.708 ( -0.018 0.000 9.428) 9.428 18.733 ( 0.076 0.000 -1.541) 1.543 18.869 ( 0.628 0.000 3.820) 3.871 20.159 ( -9.735 0.000 -0.791) 9.767 20.164 ( -8.772 0.000 -0.007) 8.772 20.176 ( -9.468 0.000 0.462) 9.479 20.212 ( -13.396 0.000 -0.280) 13.399 20.238 ( -14.995 0.000 0.329) 14.998 21.332 ( -48.857 0.000 -68.114) 83.824 22.092 ( 3.246 0.000 -0.208) 3.253 22.115 ( 3.385 0.000 -0.943) 3.513 22.132 ( 2.413 0.000 -2.489) 3.467 22.146 ( 2.085 0.000 0.645) 2.183 22.188 ( 0.814 0.000 0.078) 0.818 22.209 ( -0.303 0.000 1.537) 1.567 26.989 ( -0.666 0.000 0.412) 0.783 27.025 ( -0.275 0.000 1.586) 1.609 27.111 ( -0.232 0.000 -0.512) 0.562 27.117 ( -0.104 0.000 -0.004) 0.104 27.540 ( 0.072 0.000 1.358) 1.360 27.621 ( -0.243 0.000 1.124) 1.150 27.640 ( 0.568 0.000 0.341) 0.663 27.650 ( 0.868 0.000 0.984) 1.312 27.795 ( 0.070 0.000 -1.673) 1.674 27.877 ( 0.845 0.000 -1.797) 1.986 28.015 ( 1.532 0.000 -0.133) 1.538 28.035 ( 1.978 0.000 -0.167) 1.985 36.620 ( -2.051 0.000 -1.689) 2.657 36.833 ( -0.647 0.000 -7.707) 7.734 36.950 ( -2.098 0.000 2.701) 3.420 37.049 ( -1.601 0.000 1.867) 2.459 37.081 ( -2.961 0.000 7.251) 7.832 37.088 ( -0.355 0.000 5.435) 5.447 37.200 ( -2.025 0.000 0.910) 2.220 37.405 ( -1.289 0.000 2.937) 3.208 37.460 ( 1.247 0.000 8.864) 8.952 37.541 ( -2.338 0.000 -0.829) 2.480 37.870 ( -0.410 0.000 6.324) 6.337 37.960 ( 0.549 0.000 -1.367) 1.473 38.158 ( -3.496 0.000 0.287) 3.508 38.162 ( -1.904 0.000 0.965) 2.135 38.320 ( -0.884 0.000 -0.042) 0.885 38.526 ( 0.040 0.000 -4.773) 4.773 38.654 ( 50.160 0.000 73.160) 88.704 39.435 ( 24.324 0.000 14.279) 28.206 39.618 ( 4.675 0.000 -17.239) 17.862 39.780 ( 13.221 0.000 20.978) 24.797 39.962 ( 7.277 0.000 13.212) 15.083 40.730 ( 15.012 0.000 -2.582) 15.232 40.776 ( 17.535 0.000 -2.852) 17.765 40.951 ( 16.454 0.000 1.358) 16.510 ======================= Grid point 65 (29/96) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 9.333 13.915 20.483) 26.463 0.742 ( -3.496 22.241 15.650) 27.419 1.461 ( -2.603 -22.229 -1.030) 22.404 1.623 ( -0.941 34.757 36.271) 50.245 1.703 ( 6.930 -21.875 1.555) 22.999 2.094 ( -5.715 11.146 -1.386) 12.603 2.316 ( 3.769 7.975 -1.590) 8.963 2.404 ( 2.884 5.706 -9.169) 11.178 2.612 ( 4.219 10.379 -12.175) 16.546 2.807 ( -0.262 7.213 -2.458) 7.625 2.896 ( -2.468 6.095 -1.477) 6.740 2.962 ( 3.491 0.305 3.867) 5.218 3.126 ( 1.497 14.068 4.551) 14.861 3.279 ( 0.101 -20.036 7.306) 21.326 3.335 ( 2.979 -9.391 -8.872) 13.258 3.511 ( 5.733 -3.732 3.124) 7.520 3.607 ( -3.860 -5.071 7.849) 10.110 3.632 ( 1.096 -6.387 -3.071) 7.171 3.753 ( -1.073 -6.170 -2.841) 6.877 3.818 ( 1.127 -5.127 -1.099) 5.364 3.937 ( -0.185 1.160 2.614) 2.866 3.967 ( -6.048 0.727 3.576) 7.063 4.062 ( 0.765 1.926 -2.509) 3.254 4.104 ( 1.034 0.962 0.315) 1.447 4.166 ( -5.108 -1.519 2.728) 5.987 4.269 ( -2.643 2.898 2.515) 4.660 4.359 ( 1.749 -4.715 -2.999) 5.855 4.453 ( -2.693 -2.785 0.371) 3.892 4.541 ( 3.638 1.915 -2.551) 4.838 4.586 ( 4.874 0.718 -2.255) 5.418 4.673 ( -4.735 -4.815 4.373) 8.045 4.747 ( 1.361 -0.115 -0.370) 1.415 4.838 ( -8.988 -2.468 -0.406) 9.329 4.927 ( -2.785 -2.561 1.869) 4.219 4.978 ( 3.010 2.260 4.970) 6.234 5.102 ( 0.669 5.029 4.439) 6.741 5.236 ( 1.985 -4.109 0.545) 4.596 5.319 ( -1.213 0.092 -1.417) 1.867 5.538 ( 0.800 3.897 -1.287) 4.181 5.621 ( 2.201 -0.335 -2.306) 3.205 5.648 ( -1.738 -2.562 2.327) 3.873 5.777 ( -2.492 0.196 1.678) 3.011 5.781 ( -1.979 4.766 2.288) 5.645 5.876 ( -1.059 1.722 5.005) 5.398 5.880 ( 2.747 0.068 0.024) 2.748 6.024 ( -3.566 -1.909 -0.447) 4.070 6.102 ( 1.517 -1.273 -2.274) 3.015 6.142 ( 0.266 -3.537 -3.071) 4.692 6.192 ( -3.319 1.093 2.814) 4.487 6.292 ( 1.758 0.165 -0.913) 1.987 6.331 ( 0.223 3.595 -2.648) 4.470 6.421 ( -0.839 3.998 -1.364) 4.307 6.551 ( -2.211 5.337 -5.107) 7.711 6.647 ( -1.192 2.324 2.100) 3.351 6.874 ( 4.009 -0.300 -0.051) 4.020 6.904 ( -2.676 -6.710 -1.902) 7.470 6.967 ( 3.925 -7.059 -2.273) 8.391 7.024 ( -0.864 -0.221 -1.903) 2.102 7.104 ( 3.610 1.141 3.983) 5.495 7.219 ( -5.088 -2.969 -4.600) 7.474 7.277 ( 2.649 -1.479 3.039) 4.294 7.298 ( -4.886 1.335 -3.879) 6.380 7.376 ( 2.034 -3.477 2.768) 4.888 7.416 ( -1.473 1.483 -9.583) 9.808 7.456 ( -2.749 -3.645 1.266) 4.738 7.582 ( -3.213 3.862 5.118) 7.171 7.640 ( -0.845 -2.924 -2.832) 4.157 7.648 ( 1.800 5.072 -1.532) 5.595 7.719 ( 0.351 -0.358 0.973) 1.095 7.888 ( 3.734 6.995 -0.527) 7.947 7.910 ( 0.864 -4.842 -1.277) 5.081 7.932 ( -2.606 0.056 8.987) 9.357 7.977 ( -0.646 -7.927 3.704) 8.773 8.049 ( -1.107 6.199 -1.049) 6.384 8.178 ( 1.646 -6.360 3.025) 7.233 8.267 ( -4.260 -4.622 -2.309) 6.697 8.328 ( -0.720 2.533 1.432) 2.998 8.434 ( -0.440 8.330 -6.028) 10.292 8.495 ( -0.202 -2.758 -0.767) 2.870 8.628 ( 1.464 3.637 -3.531) 5.276 8.684 ( 0.578 -1.696 -2.475) 3.055 8.748 ( -1.207 -1.166 -5.475) 5.727 8.836 ( -0.903 7.165 -1.634) 7.405 8.928 ( 1.893 -2.557 2.215) 3.876 8.956 ( 4.466 -1.441 2.285) 5.219 8.992 ( -1.948 -3.119 1.153) 3.854 9.024 ( -1.707 -3.492 -1.147) 4.052 9.090 ( -1.649 -3.274 3.343) 4.961 9.244 ( -1.809 2.494 -12.055) 12.443 9.284 ( 1.116 -2.926 -1.669) 3.548 9.373 ( 0.221 1.810 -0.801) 1.992 9.486 ( -0.032 0.885 -1.629) 1.854 9.560 ( -0.649 3.630 -3.132) 4.838 9.639 ( 2.911 2.398 2.287) 4.411 9.697 ( 2.133 -2.958 0.801) 3.733 9.751 ( 1.039 -3.508 -0.794) 3.744 9.790 ( -1.043 8.119 -6.393) 10.386 9.925 ( -0.298 0.147 -3.460) 3.476 9.952 ( -0.948 0.086 2.988) 3.135 10.084 ( 1.140 0.044 0.856) 1.426 10.149 ( 2.467 2.391 2.905) 4.499 10.199 ( 0.684 2.890 5.685) 6.414 10.269 ( -0.533 0.426 -1.188) 1.370 10.470 ( 1.567 -3.349 3.222) 4.904 10.655 ( 0.457 10.528 5.297) 11.794 10.822 ( -4.191 2.806 2.969) 5.853 11.035 ( -2.575 -8.798 0.781) 9.201 11.099 ( -0.239 -6.873 -3.064) 7.529 11.259 ( -2.728 -1.988 1.085) 3.546 11.391 ( 5.788 -1.339 2.100) 6.301 11.468 ( -2.864 -6.236 8.605) 11.006 11.496 ( 3.676 -5.748 -0.069) 6.823 11.604 ( 4.390 8.163 1.489) 9.388 12.045 ( -8.279 -7.293 -0.587) 11.049 12.060 ( -8.340 2.903 1.960) 9.046 12.189 ( 10.050 -4.504 6.568) 12.823 12.489 ( 2.600 -1.144 1.084) 3.040 12.551 ( 5.312 -3.446 2.300) 6.736 12.669 ( 9.457 -4.621 5.867) 12.050 12.764 ( -5.565 -3.103 -0.877) 6.432 14.212 ( 3.405 9.021 -10.638) 14.357 14.403 ( -0.956 -5.726 -1.267) 5.942 14.554 ( 1.474 10.487 -3.991) 11.317 14.622 ( -0.538 3.318 -4.342) 5.491 14.722 ( 0.415 3.200 1.835) 3.712 14.851 ( -1.541 5.704 -9.371) 11.078 14.897 ( 3.517 3.130 -3.005) 5.586 15.028 ( -0.412 -2.058 -0.706) 2.215 16.275 ( -2.074 -0.172 -2.098) 2.955 16.369 ( -5.714 -8.407 3.572) 10.774 16.693 ( 3.035 1.726 -6.357) 7.252 16.721 ( 2.733 2.201 -15.121) 15.523 16.984 ( 0.277 3.145 -2.735) 4.177 17.074 ( 0.100 -2.922 -1.922) 3.499 17.133 ( 0.636 1.508 -9.769) 9.905 17.262 ( -2.463 1.352 4.050) 4.929 17.357 ( 2.761 -5.435 -0.798) 6.148 17.397 ( -0.805 -1.126 3.424) 3.694 17.472 ( -1.693 1.179 3.185) 3.795 17.539 ( 0.894 -0.033 2.566) 2.718 17.647 ( -0.636 5.302 -3.619) 6.451 17.738 ( -0.859 -3.776 -0.206) 3.878 17.834 ( 0.061 -0.173 -1.354) 1.367 17.848 ( 0.922 -1.039 0.682) 1.547 17.936 ( 0.126 6.503 1.578) 6.693 17.958 ( -1.027 1.406 -1.687) 2.424 17.978 ( -2.935 -0.324 -4.209) 5.141 18.142 ( 0.824 4.397 3.330) 5.577 18.175 ( 0.304 -0.877 6.410) 6.477 18.270 ( 1.349 1.560 0.211) 2.073 18.311 ( 1.346 -3.479 4.292) 5.686 18.401 ( 0.586 -2.258 -1.616) 2.838 18.583 ( -2.016 3.133 3.218) 4.923 18.722 ( -2.557 -3.582 8.123) 9.239 18.753 ( 0.035 1.930 1.756) 2.609 18.863 ( -1.528 -2.525 3.747) 4.770 20.062 ( -1.665 0.192 -0.396) 1.723 20.069 ( 0.207 0.008 -0.660) 0.691 20.079 ( 0.792 -0.151 -0.144) 0.819 20.081 ( 0.077 -0.167 -0.171) 0.252 20.103 ( -0.050 0.187 0.570) 0.602 20.106 ( -0.339 0.030 0.576) 0.670 22.127 ( 0.610 0.213 0.328) 0.725 22.141 ( 0.593 -0.311 -0.347) 0.754 22.158 ( 0.478 0.438 -0.797) 1.027 22.167 ( 0.420 -0.096 -0.468) 0.636 22.198 ( -0.964 0.170 0.977) 1.383 22.204 ( -1.470 -0.012 1.098) 1.835 26.990 ( -0.257 0.734 0.663) 1.022 27.026 ( -0.193 -0.887 1.562) 1.806 27.108 ( -0.009 0.213 -0.446) 0.494 27.115 ( -0.084 -0.141 0.232) 0.285 27.556 ( -0.400 0.980 1.729) 2.028 27.607 ( -0.499 -1.412 1.206) 1.923 27.656 ( -0.237 0.318 0.751) 0.849 27.660 ( -0.464 0.026 0.798) 0.923 27.810 ( 0.995 1.433 -1.516) 2.311 27.865 ( 0.659 -1.105 -1.975) 2.358 28.039 ( 0.194 0.328 0.437) 0.580 28.053 ( 0.266 -0.263 0.087) 0.384 36.637 ( 0.706 3.272 -3.088) 4.554 36.757 ( 1.277 -2.880 -5.560) 6.390 36.978 ( -0.079 1.477 3.986) 4.251 37.039 ( -0.382 -1.250 3.043) 3.312 37.085 ( 0.037 0.079 3.926) 3.927 37.150 ( -0.496 -1.918 3.476) 4.001 37.204 ( 0.933 3.390 6.881) 7.727 37.351 ( 1.068 -4.743 5.927) 7.665 37.368 ( -1.863 -1.075 3.257) 3.903 37.476 ( -0.173 -4.706 0.871) 4.789 37.944 ( -0.997 2.589 9.287) 9.693 38.028 ( -0.605 1.993 5.955) 6.308 38.089 ( 1.138 -0.837 1.550) 2.098 38.217 ( -0.432 -4.283 -2.877) 5.178 38.351 ( -1.720 18.033 -1.448) 18.172 38.579 ( -0.257 10.288 -8.577) 13.397 38.957 ( -1.401 -10.821 -17.666) 20.764 39.256 ( -0.086 -23.145 -7.573) 24.353 40.102 ( 2.349 15.137 5.002) 16.114 40.279 ( 0.290 11.259 7.328) 13.437 40.689 ( 0.367 -2.649 -4.064) 4.865 40.791 ( 0.652 -6.785 -4.586) 8.215 41.090 ( -1.561 1.989 -3.242) 4.111 41.214 ( 5.418 -4.423 -3.283) 7.727 ======================= Grid point 66 (30/96) ======================= q-point: ( 0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 14.762 10.464 18.827) 26.112 1.150 ( 20.965 11.948 17.937) 30.066 1.475 ( 4.761 -17.757 7.208) 19.746 1.878 ( 9.749 -19.387 4.876) 22.241 1.951 ( 7.371 16.296 21.997) 28.351 2.053 ( 3.535 10.775 -5.791) 12.733 2.381 ( 6.009 9.994 4.060) 12.348 2.423 ( 5.399 8.842 -10.420) 14.694 2.590 ( 3.194 3.984 -11.162) 12.274 2.745 ( -4.815 15.289 2.978) 16.304 2.825 ( -0.913 5.684 -6.387) 8.598 2.989 ( -2.384 1.509 -0.155) 2.825 3.163 ( -0.065 6.957 1.129) 7.048 3.242 ( -4.680 -9.083 -2.523) 10.525 3.317 ( -6.071 -6.911 3.376) 9.799 3.558 ( -4.597 -10.763 8.025) 14.191 3.566 ( 3.151 0.450 -1.634) 3.578 3.640 ( -2.955 -2.250 1.735) 4.099 3.690 ( -2.766 -0.472 -2.270) 3.609 3.829 ( -1.203 -1.578 -3.443) 3.974 3.894 ( 0.183 -14.502 1.265) 14.558 3.943 ( -2.955 -0.747 2.852) 4.175 4.123 ( 3.190 2.694 -2.207) 4.722 4.161 ( 6.772 -1.872 1.921) 7.284 4.194 ( 1.354 2.636 3.235) 4.387 4.287 ( 4.218 2.175 -4.702) 6.680 4.408 ( 7.864 -4.758 -0.536) 9.207 4.431 ( 0.082 -2.325 0.159) 2.331 4.588 ( 0.656 5.198 -2.893) 5.985 4.636 ( 4.283 -1.507 -0.356) 4.555 4.647 ( -0.179 -1.779 1.601) 2.400 4.786 ( 2.621 -1.573 -1.794) 3.544 4.813 ( 4.941 -1.324 0.959) 5.205 4.929 ( 2.586 -6.215 -0.935) 6.796 5.118 ( 7.513 4.075 4.977) 9.891 5.173 ( 3.303 6.014 4.624) 8.274 5.309 ( 1.679 0.634 -2.135) 2.789 5.346 ( 8.510 -6.942 1.638) 11.104 5.564 ( 3.513 0.219 -0.197) 3.525 5.657 ( 1.451 -0.668 -0.780) 1.777 5.679 ( 3.143 4.662 1.054) 5.720 5.735 ( -0.741 0.333 0.581) 0.999 5.859 ( 1.733 0.227 -1.430) 2.258 5.877 ( 4.580 4.162 6.667) 9.096 5.919 ( 3.583 1.147 0.976) 3.887 6.056 ( 1.214 5.878 -3.176) 6.790 6.104 ( 4.193 -4.973 -4.367) 7.835 6.182 ( -0.683 1.695 5.014) 5.336 6.222 ( 7.332 -5.512 2.736) 9.572 6.286 ( 2.898 1.054 -5.500) 6.306 6.370 ( 2.457 -4.007 -1.819) 5.040 6.470 ( 9.013 7.782 0.363) 11.913 6.523 ( 2.237 -8.706 -1.853) 9.178 6.695 ( 5.413 7.195 0.281) 9.008 6.867 ( 0.143 -5.084 2.233) 5.555 6.909 ( 1.918 -10.792 -0.578) 10.977 6.998 ( 1.472 -1.294 -7.470) 7.723 7.071 ( 0.586 1.940 1.329) 2.424 7.119 ( -0.603 0.556 -0.194) 0.842 7.162 ( -1.970 0.105 0.601) 2.062 7.239 ( 5.322 0.275 2.049) 5.709 7.288 ( -1.799 3.096 -5.927) 6.925 7.343 ( -2.281 -0.411 1.867) 2.976 7.414 ( 2.669 0.569 -4.415) 5.190 7.509 ( 4.983 -0.273 3.510) 6.101 7.564 ( -0.615 1.848 -0.086) 1.950 7.597 ( 2.226 0.559 -0.711) 2.403 7.705 ( 5.406 5.373 -0.940) 7.680 7.796 ( 3.756 -2.098 3.169) 5.343 7.913 ( -0.700 -0.660 2.166) 2.370 7.933 ( 3.462 -2.669 -0.799) 4.443 7.974 ( -2.036 4.891 3.573) 6.391 8.013 ( -0.247 -7.955 1.791) 8.158 8.068 ( 4.481 -1.909 2.226) 5.355 8.185 ( -1.255 -2.327 -5.682) 6.268 8.217 ( 1.108 -1.780 0.688) 2.206 8.290 ( -2.022 0.088 -1.694) 2.639 8.423 ( 1.728 6.811 -3.005) 7.642 8.499 ( 0.568 -2.736 1.124) 3.012 8.636 ( 1.864 2.154 -4.946) 5.708 8.672 ( -0.145 -0.879 -2.451) 2.608 8.679 ( -0.473 -3.312 -4.618) 5.703 8.823 ( -0.605 8.632 3.257) 9.245 8.912 ( -3.098 0.793 -2.506) 4.063 8.979 ( -0.551 -4.506 1.558) 4.799 8.990 ( 1.192 -1.450 0.118) 1.881 9.034 ( 0.216 -0.614 -7.480) 7.508 9.092 ( -1.465 -2.430 4.247) 5.108 9.164 ( 1.066 -0.271 -1.775) 2.088 9.255 ( -0.979 -3.319 -6.080) 6.995 9.356 ( -2.029 2.896 -0.279) 3.547 9.442 ( -2.040 0.322 -3.698) 4.235 9.512 ( -3.320 7.775 -0.371) 8.462 9.650 ( -2.443 6.929 -1.377) 7.475 9.671 ( -4.122 -0.911 -2.011) 4.676 9.717 ( -0.663 0.188 -1.876) 1.999 9.789 ( -0.924 -3.379 2.207) 4.141 9.883 ( -2.260 1.463 -2.225) 3.493 9.953 ( -0.965 -1.040 2.482) 2.859 10.069 ( -1.526 -5.743 -0.425) 5.958 10.163 ( -3.269 2.237 2.172) 4.517 10.244 ( -0.164 7.298 3.231) 7.983 10.285 ( 0.540 -4.452 1.904) 4.872 10.482 ( -1.909 -3.433 0.928) 4.036 10.684 ( -3.057 6.788 5.761) 9.413 10.730 ( -5.848 4.506 0.558) 7.403 10.938 ( -8.045 -7.424 1.716) 11.081 10.996 ( -9.555 -7.852 -0.946) 12.404 11.215 ( -3.191 3.214 0.346) 4.542 11.368 ( -11.508 1.596 3.591) 12.160 11.443 ( -4.848 -0.118 -1.706) 5.140 11.468 ( -5.053 1.514 1.133) 5.395 11.670 ( 1.799 -0.321 1.192) 2.182 11.917 ( -5.982 5.220 3.412) 8.641 11.934 ( -3.268 -1.961 6.408) 7.456 12.278 ( -6.552 -13.242 -0.521) 14.784 12.517 ( 1.330 1.773 -1.335) 2.587 12.632 ( 0.995 -1.979 -5.907) 6.309 12.689 ( 6.977 5.140 3.975) 9.534 13.047 ( 16.591 -22.256 5.967) 28.394 14.161 ( -1.275 10.629 -7.708) 13.192 14.336 ( -4.517 -5.480 -1.939) 7.361 14.452 ( -10.756 6.408 -5.084) 13.513 14.510 ( -7.442 3.235 -4.507) 9.283 14.674 ( -5.183 6.244 -0.994) 8.176 14.746 ( -2.010 -0.016 4.778) 5.184 14.925 ( 2.106 3.641 -3.739) 5.628 15.040 ( 1.179 -2.161 0.900) 2.621 16.237 ( 0.392 0.011 -3.741) 3.762 16.300 ( -3.067 -4.457 1.502) 5.615 16.653 ( 3.402 4.050 -12.470) 13.546 16.708 ( 3.177 0.732 -6.207) 7.011 16.976 ( 1.122 2.350 -2.349) 3.507 17.057 ( 0.152 -3.119 -2.628) 4.081 17.092 ( 0.739 5.217 -3.667) 6.419 17.260 ( -1.401 2.603 4.632) 5.494 17.364 ( -1.129 -4.210 1.541) 4.623 17.402 ( -1.077 0.977 2.607) 2.985 17.485 ( -0.269 -1.440 4.607) 4.834 17.564 ( 0.467 -1.120 1.669) 2.063 17.611 ( -0.632 4.341 -2.351) 4.977 17.698 ( -2.799 -3.098 1.146) 4.330 17.799 ( -1.519 0.468 -3.391) 3.745 17.859 ( 0.055 -0.933 -1.196) 1.518 17.893 ( -3.196 1.186 -1.837) 3.873 17.915 ( -1.869 -0.036 -1.734) 2.550 17.972 ( 1.479 5.048 2.097) 5.663 18.172 ( 0.078 3.605 2.860) 4.602 18.221 ( -0.428 -1.825 6.288) 6.561 18.275 ( -0.219 2.997 -0.974) 3.159 18.351 ( -0.423 -3.302 0.147) 3.332 18.384 ( -0.526 -2.189 2.542) 3.396 18.556 ( -2.604 2.140 3.284) 4.706 18.711 ( -4.207 -3.962 6.536) 8.725 18.769 ( -0.567 1.512 3.137) 3.528 18.861 ( -1.774 -2.010 3.376) 4.311 20.165 ( 10.446 0.139 0.011) 10.447 20.170 ( 10.246 -0.037 0.097) 10.246 20.194 ( 11.192 -0.158 0.422) 11.201 20.197 ( 10.535 -0.351 0.592) 10.557 20.244 ( 16.570 2.900 -1.850) 16.923 20.469 ( 35.345 -9.376 -15.776) 39.825 22.116 ( -2.472 0.284 -0.145) 2.492 22.122 ( -2.206 0.120 0.191) 2.217 22.139 ( -2.017 0.200 -0.950) 2.239 22.150 ( -1.776 -0.175 -1.220) 2.162 22.174 ( -2.844 0.003 1.501) 3.215 22.178 ( -2.432 -0.168 1.639) 2.937 26.995 ( 0.055 0.807 0.995) 1.282 27.034 ( -0.208 -1.011 1.493) 1.815 27.105 ( 0.262 0.357 -0.698) 0.826 27.117 ( 0.108 -0.215 0.191) 0.307 27.557 ( -1.038 0.903 1.926) 2.367 27.602 ( -1.116 -1.185 1.236) 2.044 27.645 ( -1.601 0.205 0.589) 1.719 27.648 ( -1.367 0.163 0.675) 1.533 27.822 ( 1.438 0.895 -1.158) 2.052 27.860 ( 0.529 -0.812 -2.030) 2.250 28.030 ( -1.542 0.300 0.545) 1.662 28.043 ( -1.423 -0.268 0.225) 1.466 36.650 ( 2.771 2.619 -2.026) 4.318 36.756 ( 3.219 -2.325 -5.485) 6.772 37.033 ( 2.334 0.076 4.693) 5.242 37.074 ( 1.424 -2.052 3.713) 4.475 37.139 ( 2.684 -0.521 4.681) 5.421 37.174 ( 1.002 -1.564 2.964) 3.498 37.281 ( 1.782 5.148 6.202) 8.255 37.350 ( 1.780 1.392 -3.012) 3.765 37.450 ( 1.442 -3.086 10.368) 10.914 37.516 ( 2.556 -5.351 3.846) 7.068 37.976 ( -1.728 4.599 6.581) 8.212 38.070 ( 0.020 1.766 5.870) 6.130 38.160 ( 4.431 -0.733 2.650) 5.215 38.206 ( 1.036 1.216 -2.171) 2.695 38.308 ( -0.941 8.497 -2.149) 8.815 38.507 ( -0.545 10.682 -7.665) 13.159 38.751 ( -6.169 -8.703 -18.099) 21.008 39.148 ( -3.842 -17.727 -11.366) 21.405 40.098 ( -7.576 10.722 6.083) 14.470 40.264 ( -8.609 7.031 6.709) 12.983 40.296 ( -42.730 11.905 13.499) 46.366 40.642 ( -13.651 -8.203 -5.575) 16.874 40.839 ( -21.506 -0.570 -0.394) 21.518 40.917 ( -22.398 -3.119 4.209) 23.003 ======================= Grid point 67 (31/96) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 15.952 10.018 13.155) 22.975 1.644 ( 20.570 8.513 14.935) 26.808 1.724 ( 11.841 -6.013 12.174) 18.015 2.070 ( 7.013 -0.637 8.055) 10.700 2.107 ( 7.273 -5.583 1.068) 9.231 2.163 ( 9.088 -1.625 -4.674) 10.348 2.421 ( 4.315 4.076 -12.019) 13.405 2.513 ( -3.329 -1.027 -6.826) 7.664 2.533 ( 3.535 10.014 -4.588) 11.569 2.753 ( 2.215 11.093 8.443) 14.116 2.827 ( 5.069 0.892 -2.540) 5.740 2.980 ( -0.171 3.981 7.309) 8.325 3.100 ( -4.836 -4.235 -1.014) 6.508 3.205 ( -3.651 2.822 0.511) 4.643 3.210 ( -1.865 3.746 0.932) 4.287 3.470 ( -9.970 5.846 6.994) 13.509 3.567 ( -5.940 1.925 5.388) 8.248 3.609 ( 0.559 2.360 -6.365) 6.811 3.691 ( 2.804 1.235 0.856) 3.181 3.783 ( 0.901 -5.731 -4.071) 7.088 3.877 ( -0.457 0.317 -3.276) 3.323 3.967 ( -1.203 -15.856 2.879) 16.160 4.103 ( -4.192 0.156 -0.090) 4.196 4.187 ( 0.063 -6.362 -0.808) 6.413 4.231 ( 4.018 0.415 -0.619) 4.086 4.389 ( 0.732 -0.936 2.199) 2.500 4.463 ( 1.582 1.481 -2.818) 3.555 4.534 ( 8.643 1.591 -2.863) 9.243 4.586 ( -1.340 -3.751 -1.508) 4.259 4.647 ( 9.281 -4.739 -2.635) 10.749 4.749 ( 5.048 3.210 2.337) 6.423 4.846 ( 3.329 -0.814 0.916) 3.548 4.953 ( 8.813 -4.673 0.029) 9.975 4.993 ( 7.439 -5.276 -1.384) 9.224 5.270 ( 6.855 6.221 0.863) 9.297 5.297 ( 5.288 4.987 6.964) 10.067 5.345 ( 4.488 2.552 -1.127) 5.284 5.511 ( 8.369 -4.810 -0.049) 9.653 5.629 ( 3.150 0.149 -4.357) 5.379 5.677 ( 2.196 0.625 -1.424) 2.691 5.728 ( 2.842 4.407 -2.502) 5.810 5.770 ( 2.613 0.873 4.070) 4.915 5.897 ( 2.516 -0.994 4.693) 5.417 5.984 ( 5.875 -1.253 -3.132) 6.774 6.021 ( -0.240 3.450 1.137) 3.641 6.085 ( 6.484 2.499 2.539) 7.398 6.169 ( 4.433 1.189 2.228) 5.101 6.243 ( 7.660 3.913 2.537) 8.968 6.351 ( 5.738 1.551 -0.444) 5.960 6.400 ( 8.416 -2.316 3.699) 9.480 6.436 ( 8.472 -2.301 -2.877) 9.239 6.559 ( 3.622 -10.763 -1.094) 11.408 6.653 ( 8.340 1.835 0.608) 8.562 6.794 ( 5.251 -1.460 -2.888) 6.168 6.915 ( 2.159 -6.777 -4.232) 8.276 6.963 ( 2.781 -2.217 1.804) 3.988 6.991 ( 5.516 -4.458 -2.037) 7.379 7.062 ( -0.208 3.984 3.290) 5.171 7.094 ( 0.251 -0.648 1.929) 2.051 7.213 ( 1.748 2.555 2.513) 3.987 7.253 ( 2.573 1.359 -4.693) 5.523 7.329 ( 2.319 1.227 1.527) 3.035 7.384 ( 7.236 0.676 -0.399) 7.278 7.441 ( 6.684 -1.455 -6.577) 9.489 7.576 ( 3.419 1.313 1.775) 4.070 7.634 ( 5.749 3.986 2.899) 7.573 7.688 ( 4.129 -3.066 5.062) 7.216 7.806 ( 6.109 -0.186 -2.314) 6.536 7.882 ( 3.458 -0.990 1.293) 3.822 7.912 ( -1.061 -4.014 -3.238) 5.265 7.954 ( 2.264 1.906 5.073) 5.873 7.993 ( 1.821 3.380 -0.998) 3.967 8.039 ( 1.765 -2.246 4.809) 5.594 8.116 ( -0.493 3.879 -4.117) 5.678 8.131 ( 0.745 -0.612 -3.252) 3.392 8.239 ( 1.045 -3.740 -0.004) 3.883 8.304 ( 4.251 -2.865 0.160) 5.129 8.426 ( 1.030 -1.394 -2.522) 3.060 8.533 ( 1.193 -1.618 3.188) 3.769 8.584 ( -1.748 -2.312 -3.762) 4.750 8.645 ( -0.610 -0.982 -3.059) 3.270 8.696 ( 2.618 -1.672 -1.786) 3.583 8.826 ( -3.382 3.383 -3.581) 5.976 8.847 ( -1.668 8.699 4.587) 9.975 8.906 ( -3.685 1.789 -9.320) 10.180 8.979 ( 0.743 1.837 -1.276) 2.357 9.022 ( -1.606 -2.061 0.683) 2.701 9.098 ( 0.642 -1.084 1.821) 2.215 9.160 ( -2.975 -4.304 -5.842) 7.843 9.211 ( 0.480 -3.765 1.802) 4.202 9.306 ( -2.375 2.579 -1.159) 3.693 9.374 ( -3.319 1.551 -1.643) 4.015 9.447 ( -3.881 8.682 1.091) 9.572 9.538 ( -4.348 5.522 -4.570) 8.384 9.613 ( -4.884 0.134 2.227) 5.370 9.671 ( -3.120 0.062 -2.299) 3.876 9.738 ( -6.610 -3.652 2.811) 8.058 9.806 ( -5.214 1.311 -1.506) 5.583 9.955 ( -0.369 -1.577 0.269) 1.642 10.043 ( -2.369 -6.923 -0.236) 7.321 10.087 ( -6.067 2.363 1.368) 6.653 10.209 ( -5.902 1.447 1.290) 6.212 10.277 ( -3.334 -1.664 3.617) 5.193 10.438 ( -3.245 -4.873 -2.023) 6.195 10.573 ( -8.081 3.166 -0.158) 8.681 10.659 ( -7.946 3.704 2.755) 9.189 10.783 ( -12.677 -4.178 -0.077) 13.348 10.833 ( -5.194 -1.477 1.630) 5.641 11.108 ( -14.575 7.320 -1.278) 16.360 11.143 ( -7.123 4.457 -0.806) 8.441 11.318 ( -6.448 -0.803 0.691) 6.535 11.336 ( -9.218 3.985 -0.904) 10.083 11.673 ( -1.670 -5.144 -1.170) 5.534 11.893 ( -1.662 2.662 2.503) 4.013 11.999 ( -0.622 -4.395 9.056) 10.085 12.080 ( -10.649 -6.470 2.189) 12.651 12.522 ( 1.761 0.633 -2.959) 3.501 12.571 ( 0.458 -1.069 -6.115) 6.225 12.893 ( 7.540 4.672 2.010) 9.095 13.271 ( 6.371 -18.272 1.312) 19.395 14.057 ( -5.096 11.677 -3.001) 13.089 14.194 ( -12.661 2.331 -2.419) 13.099 14.261 ( -2.265 -5.894 -0.817) 6.366 14.353 ( -6.283 -1.797 -1.949) 6.819 14.632 ( -1.222 6.836 0.789) 6.989 14.754 ( -1.429 -0.840 4.150) 4.469 14.922 ( 0.714 3.930 -3.261) 5.156 15.059 ( 0.570 -2.523 -0.849) 2.722 16.235 ( 2.189 0.330 -3.277) 3.954 16.288 ( 0.529 -2.705 0.230) 2.766 16.652 ( 5.191 3.483 -9.013) 10.968 16.720 ( 3.319 0.088 -5.786) 6.671 16.989 ( 2.122 0.761 -1.711) 2.830 17.044 ( 0.829 -2.578 -3.024) 4.059 17.104 ( 1.694 5.824 0.471) 6.084 17.281 ( -0.647 3.228 5.570) 6.470 17.351 ( -1.666 -4.157 1.652) 4.774 17.404 ( -0.927 0.876 2.642) 2.934 17.513 ( -0.022 1.319 2.861) 3.150 17.585 ( -0.237 -1.084 1.829) 2.139 17.594 ( 0.939 0.175 -1.125) 1.475 17.668 ( -1.973 -2.472 1.872) 3.675 17.740 ( -1.050 0.938 -5.897) 6.062 17.814 ( -2.600 1.255 -0.733) 2.979 17.852 ( -1.643 -0.906 -2.140) 2.846 17.876 ( -1.569 -0.314 0.181) 1.610 18.009 ( 1.485 3.319 0.206) 3.642 18.192 ( 0.542 1.215 0.700) 1.503 18.236 ( -2.429 -0.779 4.347) 5.040 18.255 ( -0.976 1.642 -1.559) 2.466 18.332 ( -0.476 0.407 0.718) 0.953 18.406 ( -0.109 -4.552 2.148) 5.034 18.537 ( -2.327 2.043 2.958) 4.282 18.686 ( -4.238 -4.189 7.002) 9.194 18.780 ( -0.069 2.008 1.555) 2.541 18.852 ( -1.734 -1.328 2.699) 3.471 20.405 ( 16.240 0.015 0.626) 16.252 20.420 ( 17.520 -0.094 0.671) 17.533 20.449 ( 17.427 -0.376 0.670) 17.444 20.490 ( 19.406 -1.199 4.001) 19.850 20.569 ( 21.921 6.258 -5.160) 23.373 20.885 ( 27.310 -9.132 -19.666) 34.871 22.036 ( -5.927 0.814 -1.062) 6.076 22.063 ( -5.209 -0.350 -0.263) 5.228 22.068 ( -5.242 0.132 -0.840) 5.310 22.083 ( -4.688 -0.305 -1.873) 5.057 22.122 ( -4.667 0.458 2.241) 5.198 22.145 ( -3.368 -0.639 3.109) 4.628 27.005 ( 0.142 0.680 1.229) 1.412 27.039 ( -0.387 -0.908 1.200) 1.554 27.107 ( 0.626 0.425 -0.882) 1.162 27.121 ( 0.319 -0.257 -0.044) 0.412 27.550 ( -1.379 0.779 1.986) 2.540 27.587 ( -1.562 -0.799 1.179) 2.114 27.616 ( -2.026 0.159 0.362) 2.064 27.626 ( -1.493 -0.049 0.515) 1.580 27.840 ( 1.477 0.292 -1.178) 1.912 27.854 ( 0.524 -0.354 -1.922) 2.024 27.999 ( -2.237 0.252 0.327) 2.274 28.011 ( -2.201 -0.271 0.232) 2.230 36.698 ( 4.330 2.005 -2.049) 5.193 36.785 ( 4.660 -1.817 -5.705) 7.587 37.105 ( 2.349 -1.139 2.419) 3.560 37.133 ( 1.254 -3.499 4.431) 5.784 37.239 ( 3.610 -0.099 4.823) 6.026 37.262 ( 6.106 -1.381 6.531) 9.047 37.355 ( 2.905 5.174 2.629) 6.490 37.376 ( 4.160 3.073 -3.683) 6.349 37.571 ( 3.300 -0.808 11.291) 11.791 37.612 ( 4.000 -4.165 5.918) 8.269 37.976 ( -2.724 7.371 2.862) 8.363 38.109 ( 0.788 0.375 2.583) 2.727 38.185 ( -0.455 4.639 -2.177) 5.144 38.287 ( 6.334 0.209 2.067) 6.666 38.318 ( 4.075 -0.931 -0.786) 4.253 38.431 ( -5.193 -0.327 -9.457) 10.794 38.540 ( -1.349 2.574 -7.059) 7.634 38.968 ( -5.893 -11.286 -13.060) 18.239 39.690 ( -39.196 13.340 24.073) 47.893 39.925 ( -16.191 4.493 3.578) 17.180 40.086 ( -16.961 -0.725 3.910) 17.421 40.252 ( -23.268 -7.966 -7.611) 25.745 40.395 ( -27.741 2.568 1.618) 27.906 40.566 ( -22.193 -3.254 3.166) 22.653 ======================= Grid point 68 (32/96) ======================= q-point: ( 0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 14.868 10.711 8.462) 20.184 1.939 ( 8.705 4.325 -0.597) 9.738 2.077 ( 15.087 3.594 13.182) 20.354 2.175 ( 3.115 -1.233 -5.302) 6.272 2.302 ( 10.247 -3.031 -4.749) 11.693 2.335 ( 10.213 -5.459 10.935) 15.928 2.377 ( 1.520 -0.932 -11.856) 11.989 2.426 ( 1.156 1.235 -4.262) 4.585 2.544 ( 1.466 4.061 3.283) 5.424 2.791 ( 0.147 -4.107 -3.904) 5.668 2.895 ( -1.846 -3.929 4.318) 6.122 2.994 ( -4.212 -4.807 -1.461) 6.556 3.058 ( -1.699 12.041 9.433) 15.390 3.136 ( -2.956 5.965 2.539) 7.125 3.257 ( 2.757 0.328 0.424) 2.808 3.352 ( -4.983 6.852 0.677) 8.499 3.527 ( -2.052 4.490 -6.972) 8.543 3.556 ( -3.570 1.738 7.700) 8.664 3.729 ( -1.894 0.044 -3.144) 3.671 3.773 ( 1.804 6.262 0.791) 6.564 3.827 ( -6.086 -6.759 -7.255) 11.634 3.905 ( 2.082 1.238 3.370) 4.150 4.066 ( 0.642 -2.608 -1.959) 3.324 4.185 ( -1.815 -1.052 -3.078) 3.725 4.245 ( -1.434 -2.050 -6.048) 6.545 4.392 ( 3.679 -5.164 2.634) 6.866 4.518 ( 3.083 -3.072 10.179) 11.071 4.574 ( 0.836 -3.400 1.854) 3.962 4.694 ( 8.399 0.279 -2.020) 8.643 4.776 ( 3.714 -0.091 1.219) 3.910 4.840 ( 4.857 -1.677 -0.240) 5.144 4.903 ( 3.218 -1.396 -0.538) 3.549 5.079 ( 9.346 -2.004 -2.222) 9.813 5.187 ( 10.106 -6.146 1.522) 11.926 5.359 ( 4.707 6.380 -1.548) 8.078 5.427 ( 4.502 3.753 5.103) 7.771 5.483 ( 8.867 2.297 2.890) 9.605 5.570 ( 1.172 4.010 -8.977) 9.902 5.634 ( 1.264 -3.367 0.552) 3.639 5.692 ( 1.987 -3.550 -7.734) 8.739 5.763 ( 3.769 4.824 0.192) 6.125 5.839 ( 0.747 1.960 5.089) 5.504 5.964 ( 2.733 1.752 1.641) 3.638 6.055 ( 1.444 3.088 5.332) 6.328 6.073 ( -0.452 -0.071 1.858) 1.914 6.159 ( 5.080 0.765 1.681) 5.405 6.307 ( 5.654 -1.576 8.468) 10.304 6.405 ( 8.957 2.269 -3.372) 9.836 6.473 ( 5.661 -4.979 2.401) 7.912 6.492 ( 0.253 -0.490 -2.784) 2.838 6.617 ( 9.267 -0.287 2.056) 9.497 6.677 ( 10.871 -5.413 -1.769) 12.273 6.769 ( 3.017 0.014 4.168) 5.145 6.810 ( 3.017 0.323 -4.085) 5.089 6.916 ( -0.419 -2.095 -5.197) 5.619 6.979 ( 0.089 -6.277 -1.536) 6.463 7.052 ( 4.893 0.865 0.785) 5.030 7.148 ( 2.666 2.226 6.664) 7.514 7.201 ( 12.863 -1.598 0.958) 12.998 7.284 ( 3.921 -3.805 0.113) 5.465 7.338 ( 7.512 3.916 3.790) 9.280 7.428 ( 5.203 5.590 -4.861) 9.053 7.474 ( 11.502 -0.242 -2.699) 11.816 7.588 ( 11.330 -0.242 -2.820) 11.678 7.675 ( 2.040 -3.231 4.760) 6.104 7.716 ( 1.796 1.793 0.083) 2.539 7.787 ( 2.217 -2.964 4.799) 6.061 7.882 ( 2.535 -6.114 -2.649) 7.129 7.890 ( 6.525 -1.081 -0.826) 6.665 7.949 ( 1.986 3.180 -1.856) 4.183 8.009 ( 0.815 2.075 1.412) 2.639 8.042 ( 1.898 4.461 -4.494) 6.610 8.084 ( 4.074 -1.950 1.860) 4.885 8.126 ( 1.150 1.158 0.709) 1.780 8.181 ( 7.807 -2.355 4.933) 9.530 8.286 ( 1.805 -3.500 -0.568) 3.978 8.346 ( 2.932 -0.438 -0.959) 3.115 8.440 ( 1.666 -2.631 0.143) 3.117 8.524 ( -2.434 -0.345 -4.016) 4.709 8.549 ( -1.723 -2.243 0.337) 2.849 8.631 ( -0.170 -0.253 2.078) 2.100 8.707 ( -0.969 -1.967 -0.762) 2.321 8.748 ( -1.477 -0.745 -4.955) 5.224 8.806 ( -0.161 7.142 -2.971) 7.737 8.815 ( -5.525 0.693 1.082) 5.672 8.932 ( -5.742 5.336 -1.969) 8.082 9.002 ( 1.172 2.629 2.104) 3.565 9.063 ( -3.648 -1.777 -3.339) 5.255 9.126 ( -0.420 -1.463 1.839) 2.387 9.210 ( -1.721 -2.063 -0.557) 2.744 9.263 ( -0.838 -0.479 -1.513) 1.795 9.304 ( -4.765 1.211 0.647) 4.959 9.409 ( -2.208 4.894 0.369) 5.381 9.468 ( -0.145 4.042 -2.109) 4.562 9.511 ( -5.941 1.860 -1.982) 6.533 9.579 ( -4.762 1.822 -4.125) 6.558 9.637 ( -6.843 -3.531 4.144) 8.745 9.712 ( -4.443 -0.531 3.251) 5.530 9.885 ( -10.097 3.073 -0.534) 10.568 9.923 ( -6.528 -4.746 -1.811) 8.271 10.026 ( -4.046 -2.495 0.246) 4.760 10.087 ( -8.421 -1.156 0.555) 8.518 10.220 ( -6.092 -1.096 2.024) 6.513 10.328 ( -5.556 -6.592 -2.949) 9.112 10.445 ( -7.406 6.551 1.120) 9.951 10.532 ( -6.929 0.382 2.158) 7.267 10.569 ( -9.667 -0.033 -1.553) 9.791 10.697 ( -10.970 0.639 -2.430) 11.254 10.927 ( -3.178 5.090 -0.947) 6.075 11.005 ( -7.485 2.503 -3.097) 8.478 11.153 ( -7.651 5.542 -2.813) 9.857 11.269 ( -2.539 -0.412 3.386) 4.252 11.596 ( -4.929 -6.824 -3.386) 9.074 11.755 ( -10.882 -8.285 -2.750) 13.951 11.955 ( -2.300 6.435 5.153) 8.558 12.139 ( 1.142 -3.133 8.662) 9.282 12.536 ( 2.363 0.056 -2.499) 3.440 12.573 ( 2.391 -1.072 -0.982) 2.798 12.939 ( -0.885 5.702 -2.848) 6.435 13.310 ( -0.878 -13.504 -1.855) 13.659 13.969 ( -4.694 9.370 1.722) 10.620 14.045 ( -2.565 1.744 0.546) 3.149 14.224 ( -3.991 -4.967 2.597) 6.880 14.271 ( -0.468 -6.883 -3.340) 7.665 14.621 ( -0.405 7.803 -0.107) 7.814 14.753 ( -1.587 0.031 2.338) 2.826 14.909 ( 0.641 2.848 -2.765) 4.021 15.045 ( -0.614 -3.061 -2.534) 4.021 16.260 ( 2.687 0.539 -1.771) 3.263 16.308 ( 1.488 -1.925 -0.274) 2.448 16.690 ( 5.407 2.355 -6.434) 8.728 16.739 ( 3.030 0.130 -4.014) 5.031 17.021 ( 2.202 -0.226 -0.424) 2.254 17.040 ( 1.373 -1.396 -3.212) 3.761 17.149 ( 2.428 4.146 1.784) 5.125 17.308 ( -1.819 0.032 5.115) 5.429 17.340 ( -0.439 -0.778 2.557) 2.708 17.402 ( -1.638 1.080 2.316) 3.035 17.519 ( -0.201 4.366 -0.396) 4.389 17.575 ( -1.611 -0.555 0.638) 1.819 17.626 ( 2.170 -1.766 0.185) 2.804 17.663 ( -0.773 -1.103 3.724) 3.960 17.685 ( -0.812 -1.195 -3.506) 3.792 17.774 ( -1.585 -1.318 -1.743) 2.699 17.809 ( -0.564 1.004 -1.692) 2.046 17.851 ( -1.486 -1.368 -0.240) 2.035 18.022 ( 0.655 3.055 -1.518) 3.474 18.178 ( 0.158 0.765 -5.820) 5.872 18.212 ( -3.143 -1.422 1.328) 3.697 18.247 ( -0.096 2.194 4.124) 4.672 18.339 ( -0.085 0.227 0.836) 0.870 18.410 ( -0.460 -4.866 0.583) 4.922 18.518 ( -2.224 2.746 2.688) 4.439 18.667 ( -3.850 -3.434 6.803) 8.537 18.789 ( 0.162 1.917 0.416) 1.969 18.842 ( -1.397 -0.726 1.794) 2.387 20.729 ( 19.465 -0.424 1.117) 19.501 20.753 ( 19.890 -1.717 -0.919) 19.985 20.802 ( 20.480 2.188 3.590) 20.907 20.897 ( 21.288 -1.539 6.470) 22.303 20.906 ( 20.972 5.707 -5.485) 22.416 21.162 ( 20.341 -6.143 -16.238) 26.743 21.892 ( -9.562 1.187 -1.533) 9.757 21.925 ( -9.124 0.611 -2.119) 9.387 21.943 ( -8.395 -1.227 -1.992) 8.715 21.959 ( -8.338 -0.959 -0.445) 8.404 22.042 ( -6.782 1.765 3.199) 7.704 22.107 ( -4.294 -1.389 4.821) 6.603 27.016 ( -0.013 0.399 1.206) 1.270 27.038 ( -0.585 -0.649 0.849) 1.218 27.114 ( 0.865 0.397 -0.928) 1.329 27.127 ( 0.420 -0.204 -0.356) 0.587 27.540 ( -1.307 0.607 1.854) 2.348 27.569 ( -1.358 -0.359 1.175) 1.832 27.584 ( -1.770 0.167 0.290) 1.802 27.606 ( -1.185 -0.406 0.472) 1.338 27.850 ( 0.707 -0.009 -1.566) 1.718 27.857 ( 1.363 -0.155 -1.414) 1.970 27.960 ( -2.179 0.327 -0.054) 2.204 27.974 ( -2.059 -0.233 -0.002) 2.072 36.765 ( 5.144 1.451 -2.625) 5.954 36.831 ( 5.476 -1.403 -6.039) 8.271 37.144 ( -0.228 -1.528 2.854) 3.245 37.180 ( 1.339 -3.975 2.235) 4.753 37.341 ( 2.922 3.992 2.963) 5.766 37.386 ( 3.786 2.087 1.487) 4.572 37.422 ( 4.283 2.677 -0.261) 5.058 37.494 ( 8.885 -1.982 5.274) 10.521 37.723 ( 3.555 -1.261 8.680) 9.464 37.740 ( 5.624 -0.784 8.230) 9.998 37.931 ( -1.657 6.851 -1.953) 7.314 38.095 ( -3.544 -1.793 -8.862) 9.711 38.151 ( -0.981 2.672 -0.501) 2.890 38.280 ( -1.488 -3.232 0.720) 3.631 38.380 ( 5.763 3.090 1.113) 6.633 38.474 ( 10.199 -0.765 2.162) 10.454 38.588 ( 5.479 1.469 1.252) 5.809 38.769 ( -5.139 -4.746 -12.296) 14.146 39.270 ( -28.162 9.800 19.532) 35.646 39.595 ( -21.671 -5.078 -0.508) 22.264 39.733 ( -26.438 -4.464 -10.542) 28.810 39.756 ( -22.394 -6.416 0.946) 23.314 39.969 ( -22.059 9.262 2.491) 24.054 40.183 ( -22.981 -2.287 1.497) 23.143 ======================= Grid point 69 (33/96) ======================= q-point: ( 0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( 7.268 0.828 -3.767) 8.227 2.061 ( 10.036 2.434 0.118) 10.327 2.130 ( 1.365 3.045 -10.327) 10.853 2.277 ( 0.651 -2.996 -4.957) 5.829 2.388 ( 5.912 3.702 3.361) 7.743 2.413 ( 3.552 3.378 -5.941) 7.702 2.461 ( 4.634 -1.678 1.986) 5.313 2.554 ( 4.778 -0.264 4.251) 6.401 2.593 ( 1.523 -1.080 2.824) 3.386 2.725 ( -2.887 -3.525 -5.505) 7.146 2.856 ( -3.779 0.205 5.333) 6.540 2.906 ( -8.181 1.864 3.338) 9.030 3.049 ( -5.992 8.782 2.546) 10.932 3.155 ( 4.763 -1.460 5.946) 7.757 3.281 ( -5.081 4.441 0.940) 6.813 3.327 ( 5.299 -0.850 -3.297) 6.298 3.439 ( -6.748 -2.580 -0.938) 7.285 3.494 ( 0.124 1.755 -3.827) 4.212 3.585 ( -6.549 -3.371 -4.839) 8.813 3.780 ( 0.691 -2.235 7.609) 7.960 3.871 ( 6.572 5.663 -0.306) 8.681 3.964 ( 1.590 4.654 -1.639) 5.184 4.077 ( -2.726 6.420 -0.349) 6.984 4.113 ( 2.135 0.990 -2.805) 3.661 4.203 ( 0.892 -2.764 0.597) 2.965 4.507 ( 4.252 -5.962 0.652) 7.352 4.614 ( -0.315 -3.353 6.008) 6.888 4.644 ( 1.470 -3.674 8.625) 9.489 4.769 ( 1.038 2.150 -1.442) 2.789 4.822 ( 2.831 2.379 1.174) 3.880 4.903 ( 2.269 -2.360 1.808) 3.740 4.980 ( 5.369 -3.325 -0.236) 6.320 5.232 ( 8.478 -0.892 -1.237) 8.614 5.303 ( 3.795 -4.185 -2.810) 6.309 5.422 ( 1.890 5.197 1.080) 5.634 5.514 ( 3.806 3.876 -8.246) 9.874 5.517 ( -1.487 1.336 2.671) 3.336 5.624 ( 3.040 1.249 0.935) 3.417 5.673 ( 2.335 -1.271 1.804) 3.213 5.686 ( 4.722 -2.748 -2.313) 5.933 5.838 ( 2.594 0.688 2.009) 3.353 5.881 ( 1.099 1.595 3.629) 4.114 5.995 ( -0.179 2.389 0.938) 2.573 6.031 ( -3.371 1.504 1.987) 4.192 6.149 ( 2.846 4.136 6.196) 7.975 6.243 ( 0.769 3.067 2.274) 3.894 6.385 ( -1.720 -9.189 -1.078) 9.411 6.434 ( -1.397 1.629 -3.361) 3.988 6.530 ( 1.171 -3.861 -2.183) 4.588 6.570 ( 6.211 -0.151 4.180) 7.488 6.657 ( 0.385 -3.765 -7.836) 8.702 6.727 ( -0.855 -0.906 -2.840) 3.101 6.809 ( 1.243 0.561 -0.304) 1.397 6.873 ( 0.497 -2.401 4.740) 5.336 6.975 ( 1.995 -3.587 2.242) 4.677 6.997 ( 9.283 -1.142 4.515) 10.386 7.235 ( 9.197 0.196 1.064) 9.261 7.269 ( 8.589 3.909 -1.960) 9.638 7.376 ( 6.366 3.930 1.411) 7.613 7.409 ( 2.852 -4.096 4.604) 6.790 7.465 ( 6.711 3.810 -2.160) 8.014 7.515 ( 7.819 0.114 1.804) 8.025 7.631 ( 3.466 -3.500 -3.790) 6.215 7.679 ( -2.253 2.069 2.927) 4.233 7.725 ( 0.857 -1.047 1.004) 1.685 7.793 ( 7.332 -2.909 1.401) 8.012 7.848 ( 7.249 -1.685 -0.537) 7.461 7.911 ( -1.071 -1.719 -2.448) 3.177 7.957 ( 6.387 -1.904 -3.029) 7.321 7.981 ( -0.190 -2.801 -4.089) 4.960 8.004 ( 3.226 2.204 -2.549) 4.665 8.045 ( 3.688 -1.617 -5.066) 6.472 8.154 ( 1.230 3.136 3.222) 4.662 8.206 ( 3.924 0.207 3.339) 5.156 8.275 ( 1.797 3.890 0.832) 4.366 8.337 ( 1.945 -0.155 0.243) 1.966 8.390 ( -0.408 2.347 -1.199) 2.667 8.456 ( 1.337 0.670 2.382) 2.813 8.518 ( -0.294 -1.687 1.908) 2.564 8.541 ( 1.554 -3.875 3.429) 5.403 8.611 ( -2.299 -1.152 0.983) 2.753 8.648 ( -2.665 -6.403 -1.405) 7.076 8.691 ( -1.567 -1.991 -2.148) 3.322 8.717 ( -5.261 -1.278 -0.364) 5.426 8.826 ( -0.185 4.240 2.213) 4.786 8.903 ( 5.167 6.004 1.278) 8.024 8.985 ( -2.661 1.938 -0.451) 3.322 9.044 ( -0.679 2.487 2.460) 3.563 9.089 ( -5.751 -0.131 3.158) 6.562 9.158 ( -3.556 1.031 -2.885) 4.694 9.205 ( -1.830 1.639 -2.750) 3.688 9.259 ( 1.092 -4.178 -1.497) 4.571 9.322 ( -5.751 5.702 0.558) 8.118 9.428 ( -0.808 0.726 -3.332) 3.505 9.468 ( -0.560 0.037 -5.469) 5.498 9.502 ( -1.170 0.640 -0.595) 1.460 9.601 ( -2.235 -2.960 6.224) 7.245 9.683 ( -7.177 -1.199 2.811) 7.801 9.704 ( -4.645 2.650 2.915) 6.090 9.786 ( -5.227 -2.326 2.153) 6.112 9.895 ( -8.139 0.288 -2.858) 8.631 9.979 ( -3.762 -0.152 -0.881) 3.866 10.116 ( -4.665 -0.004 -0.817) 4.736 10.208 ( -7.588 -1.007 -1.389) 7.779 10.303 ( -5.715 1.959 -4.088) 7.294 10.419 ( -6.955 -0.249 -6.561) 9.564 10.463 ( -2.121 1.776 2.581) 3.783 10.585 ( -1.936 -3.167 7.026) 7.946 10.838 ( -4.139 1.175 -8.394) 9.433 10.881 ( -2.683 -0.281 -4.584) 5.319 11.067 ( -0.590 9.254 -0.823) 9.310 11.264 ( -1.324 0.168 3.753) 3.983 11.485 ( -3.234 -5.615 -3.876) 7.550 11.593 ( -5.987 -7.357 -1.070) 9.545 11.942 ( -2.243 7.046 0.639) 7.422 12.152 ( -4.160 -4.355 0.566) 6.049 12.577 ( 2.525 1.030 1.796) 3.265 12.624 ( 2.401 -0.895 2.622) 3.666 12.899 ( -0.030 6.253 -0.974) 6.328 13.255 ( -2.301 -10.687 -2.673) 11.254 13.923 ( -3.040 6.915 3.872) 8.488 14.058 ( 1.370 2.471 0.277) 2.839 14.167 ( -3.738 -5.469 2.083) 6.944 14.266 ( 1.438 -8.177 -1.702) 8.475 14.616 ( 0.196 8.508 -0.710) 8.540 14.731 ( -1.831 1.315 0.011) 2.254 14.911 ( 1.532 0.760 -2.302) 2.868 15.006 ( -0.762 -3.324 -3.697) 5.030 16.297 ( 2.182 0.464 0.013) 2.231 16.329 ( 0.968 -1.091 -0.064) 1.460 16.736 ( 4.129 1.304 -4.145) 5.995 16.765 ( 2.637 0.218 -2.561) 3.682 17.041 ( 1.177 -0.208 -2.269) 2.565 17.057 ( 1.857 -0.753 -0.350) 2.034 17.210 ( 2.722 1.954 1.940) 3.872 17.294 ( -2.242 -2.201 2.711) 4.150 17.366 ( -1.159 1.072 4.944) 5.190 17.383 ( -1.682 2.494 1.740) 3.475 17.508 ( -0.543 3.616 -0.507) 3.691 17.549 ( -0.884 2.771 -0.220) 2.917 17.638 ( 0.302 -1.641 -3.627) 3.992 17.673 ( 2.067 -0.657 -3.491) 4.110 17.697 ( -0.503 -3.979 6.375) 7.532 17.732 ( -2.147 -2.702 2.372) 4.188 17.819 ( 2.392 0.662 -1.492) 2.896 17.823 ( -0.848 -1.610 -1.234) 2.199 18.014 ( 0.143 3.319 -2.068) 3.914 18.129 ( -1.014 4.732 -5.074) 7.012 18.166 ( -2.588 -2.759 0.056) 3.783 18.280 ( 0.824 -0.406 2.014) 2.214 18.332 ( -0.493 -0.464 -1.221) 1.396 18.400 ( -0.361 -4.457 -1.089) 4.603 18.504 ( -1.794 3.551 3.162) 5.082 18.650 ( -3.775 -2.610 6.407) 7.882 18.792 ( 0.167 1.550 -0.238) 1.577 18.830 ( -1.105 -0.332 0.883) 1.453 21.079 ( 18.635 -0.971 0.949) 18.684 21.088 ( 19.080 -1.603 -0.910) 19.169 21.186 ( 18.432 3.410 4.054) 19.178 21.201 ( 17.865 4.463 -4.600) 18.979 21.307 ( 17.324 -2.360 8.504) 19.442 21.369 ( 14.602 -3.774 -10.833) 18.570 21.679 ( -13.060 1.637 -2.139) 13.335 21.719 ( -11.723 1.105 -2.933) 12.135 21.748 ( -11.125 -1.490 -3.106) 11.646 21.786 ( -10.997 -2.412 0.192) 11.261 21.930 ( -8.925 3.869 3.912) 10.484 22.068 ( -4.932 -2.825 6.629) 8.732 27.021 ( -0.308 0.148 0.954) 1.013 27.033 ( -0.536 -0.402 0.662) 0.942 27.123 ( 0.853 0.260 -0.794) 1.194 27.130 ( 0.365 -0.075 -0.660) 0.758 27.532 ( -1.041 0.403 1.600) 1.951 27.557 ( -1.288 -0.706 1.238) 1.921 27.564 ( -0.558 0.766 0.414) 1.034 27.594 ( -0.706 -0.509 0.728) 1.135 27.854 ( 0.890 0.053 -1.082) 1.402 27.870 ( 1.318 -0.500 -1.445) 2.018 27.925 ( -1.524 0.513 -0.540) 1.696 27.941 ( -1.454 -0.107 -0.502) 1.541 36.834 ( 5.027 0.962 -3.247) 6.061 36.883 ( 5.518 -1.220 -6.101) 8.316 37.138 ( -2.918 -0.565 3.009) 4.229 37.208 ( 0.374 -4.339 0.872) 4.442 37.357 ( -0.394 7.055 -2.569) 7.519 37.426 ( 0.441 4.685 -0.386) 4.721 37.519 ( 4.260 -1.014 -1.953) 4.795 37.646 ( 3.328 -7.023 0.256) 7.776 37.782 ( -1.384 -2.378 4.938) 5.653 37.854 ( -2.825 -3.046 7.731) 8.776 37.961 ( 5.840 7.689 0.074) 9.656 38.008 ( 3.841 5.779 -1.501) 7.100 38.157 ( 1.349 2.729 2.354) 3.848 38.338 ( 3.832 -3.934 3.841) 6.702 38.530 ( 7.937 1.397 5.106) 9.540 38.601 ( -0.694 0.745 -6.255) 6.337 38.656 ( 5.158 -5.405 2.249) 7.802 38.749 ( 9.454 -1.301 -0.863) 9.582 38.982 ( -16.815 8.466 10.783) 21.695 39.165 ( -21.562 -0.514 -8.129) 23.049 39.281 ( -14.061 -6.915 -5.734) 16.686 39.406 ( -17.191 -6.965 -1.191) 18.587 39.630 ( -17.528 8.465 -0.297) 19.467 39.810 ( -18.728 -1.601 -1.243) 18.838 ======================= Grid point 70 (34/96) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -3.147 2.185 -9.333) 10.088 2.102 ( 0.244 -3.695 -4.592) 5.899 2.178 ( -4.075 -1.464 -9.614) 10.545 2.215 ( 0.398 -0.780 -4.765) 4.845 2.299 ( -6.863 0.438 -9.558) 11.775 2.455 ( 4.810 8.232 4.234) 10.432 2.491 ( -1.078 -6.644 -2.759) 7.274 2.628 ( 4.619 1.389 -1.171) 4.963 2.661 ( -1.438 -0.174 0.882) 1.696 2.692 ( 1.265 -0.228 -2.860) 3.136 2.793 ( -4.744 0.910 3.048) 5.711 2.877 ( -1.909 1.215 5.492) 5.940 2.929 ( -3.192 5.961 2.889) 7.353 3.105 ( -11.200 -1.022 -1.411) 11.334 3.289 ( 1.888 -0.260 -5.979) 6.275 3.329 ( 1.021 2.538 5.061) 5.753 3.422 ( 5.649 -1.201 0.556) 5.802 3.523 ( 1.150 0.812 -0.621) 1.539 3.614 ( 7.300 3.577 4.142) 9.124 3.781 ( -4.016 -1.762 6.246) 7.632 3.927 ( -2.815 4.628 -1.367) 5.587 3.982 ( 4.906 0.264 0.359) 4.926 4.133 ( 4.394 4.774 2.059) 6.807 4.168 ( 4.233 5.018 1.853) 6.821 4.221 ( 0.299 -2.438 3.989) 4.685 4.510 ( -1.975 -6.870 -4.172) 8.277 4.606 ( -4.135 -2.505 2.022) 5.240 4.652 ( -3.366 -1.685 0.118) 3.766 4.796 ( 0.349 1.969 5.175) 5.548 4.872 ( 1.532 2.656 0.715) 3.148 4.965 ( 0.937 -0.965 6.048) 6.195 5.057 ( 2.120 -2.642 1.839) 3.854 5.295 ( -0.153 -2.358 -2.315) 3.308 5.340 ( 3.658 -2.937 -4.344) 6.393 5.431 ( -2.367 1.158 2.179) 3.419 5.457 ( -3.675 1.105 -0.626) 3.888 5.562 ( 5.045 6.469 -2.271) 8.512 5.652 ( -0.531 3.538 1.390) 3.838 5.684 ( -1.118 1.212 -1.221) 2.052 5.763 ( 1.112 -1.636 4.996) 5.373 5.885 ( 0.021 -0.587 1.571) 1.678 5.934 ( 2.173 -4.024 2.295) 5.117 5.980 ( -4.148 4.924 2.990) 7.099 5.996 ( 0.183 -1.274 -1.456) 1.943 6.184 ( -3.410 5.809 3.153) 7.437 6.242 ( -6.877 -8.794 -8.546) 14.060 6.265 ( -0.891 2.033 7.048) 7.389 6.381 ( -3.356 -3.122 -4.582) 6.481 6.494 ( -1.641 1.413 -1.177) 2.465 6.609 ( 4.317 4.617 -3.437) 7.195 6.685 ( 4.074 -2.705 1.868) 5.235 6.784 ( 2.041 -0.948 -6.051) 6.456 6.823 ( 2.815 -4.387 5.825) 7.817 6.878 ( -1.508 -6.386 2.569) 7.047 7.056 ( 0.042 -0.413 5.694) 5.709 7.152 ( 1.925 -3.386 10.072) 10.799 7.290 ( 0.257 1.418 -7.768) 7.900 7.340 ( 0.369 0.049 -4.390) 4.405 7.390 ( -8.065 2.459 -0.578) 8.451 7.434 ( -0.968 1.928 1.096) 2.420 7.534 ( -1.970 -2.363 0.114) 3.078 7.550 ( -5.752 1.794 2.751) 6.623 7.573 ( -3.833 -0.328 -2.023) 4.347 7.652 ( 0.133 -0.595 0.717) 0.941 7.740 ( -0.555 -4.947 -0.405) 4.994 7.818 ( 0.229 0.353 -1.630) 1.684 7.854 ( 0.196 -5.715 -3.449) 6.678 7.930 ( -2.647 -0.738 -5.346) 6.010 8.030 ( 4.671 0.644 -1.376) 4.912 8.061 ( 1.227 -0.128 -2.164) 2.491 8.105 ( 9.077 0.700 -5.197) 10.483 8.111 ( 9.885 2.233 3.520) 10.728 8.171 ( -1.200 2.593 4.312) 5.172 8.287 ( 0.494 -1.652 2.313) 2.885 8.298 ( -2.715 2.048 5.481) 6.450 8.326 ( 2.966 0.840 -4.991) 5.866 8.378 ( -0.166 0.627 -1.516) 1.649 8.475 ( 0.051 -1.751 3.091) 3.553 8.491 ( -1.445 2.800 2.692) 4.145 8.542 ( -0.295 1.185 1.455) 1.900 8.609 ( -0.991 -2.836 -2.104) 3.668 8.646 ( -2.744 -0.685 2.301) 3.646 8.660 ( 0.397 -0.754 6.071) 6.131 8.734 ( 5.890 -2.936 0.246) 6.586 8.839 ( -1.384 0.608 4.041) 4.314 8.874 ( -10.938 -0.515 -0.154) 10.951 8.950 ( 1.856 3.080 -1.550) 3.916 9.042 ( 1.577 3.845 1.378) 4.378 9.093 ( 0.404 -1.330 3.862) 4.104 9.120 ( 2.962 5.490 -0.675) 6.275 9.215 ( 0.399 2.185 -0.215) 2.232 9.239 ( -1.767 -0.288 -1.970) 2.662 9.293 ( 3.164 -1.766 -3.347) 4.933 9.410 ( 1.730 4.251 -3.269) 5.635 9.432 ( -0.326 -1.427 -0.408) 1.520 9.499 ( 1.381 -3.688 1.991) 4.413 9.575 ( -2.012 -1.318 0.276) 2.421 9.580 ( 1.096 -4.757 3.782) 6.175 9.734 ( -2.990 2.394 2.567) 4.611 9.799 ( -2.144 3.094 4.408) 5.796 9.826 ( 4.623 1.482 2.791) 5.600 9.927 ( 0.232 -0.666 -0.382) 0.802 10.053 ( -6.214 3.482 -3.284) 7.844 10.096 ( 4.608 3.003 -2.472) 6.030 10.243 ( 0.762 -3.101 -6.023) 6.817 10.270 ( 0.363 -3.235 -8.326) 8.940 10.474 ( 0.004 2.777 3.720) 4.643 10.641 ( 1.316 -5.321 6.466) 8.477 10.746 ( 0.390 0.606 -6.153) 6.195 10.815 ( 1.077 -1.782 -8.498) 8.749 11.072 ( 1.368 9.599 -2.681) 10.060 11.286 ( 0.245 0.774 6.058) 6.112 11.439 ( 1.595 -4.356 -6.289) 7.815 11.535 ( 0.022 -6.965 2.023) 7.253 11.884 ( -2.936 6.017 -3.192) 7.417 12.030 ( -5.629 -2.374 -6.698) 9.065 12.645 ( 2.078 1.486 5.435) 6.006 12.675 ( -0.123 0.829 4.545) 4.621 12.940 ( 3.090 3.147 2.554) 5.097 13.218 ( 0.733 -9.335 -2.892) 9.800 13.910 ( -1.848 5.505 3.954) 7.026 14.049 ( -1.641 1.703 -0.803) 2.497 14.135 ( -1.362 -3.352 0.407) 3.641 14.298 ( 2.703 -8.314 0.617) 8.764 14.614 ( 0.012 7.302 -0.943) 7.363 14.698 ( -1.017 1.845 -1.385) 2.522 14.911 ( 0.596 -0.123 -3.390) 3.444 14.985 ( 1.724 -2.827 -3.676) 4.947 16.331 ( 0.751 0.205 1.104) 1.351 16.341 ( 0.148 -0.269 1.588) 1.617 16.766 ( 2.038 0.815 -2.595) 3.399 16.791 ( 2.199 -0.036 -2.162) 3.084 17.044 ( 0.894 0.502 -1.821) 2.090 17.080 ( 1.011 -1.038 -0.346) 1.490 17.256 ( -0.067 0.096 1.211) 1.217 17.285 ( 0.144 0.007 2.387) 2.391 17.357 ( -2.318 1.598 3.496) 4.489 17.379 ( -1.724 1.527 3.519) 4.205 17.497 ( -0.167 2.479 -0.416) 2.520 17.547 ( -0.109 3.075 0.583) 3.132 17.621 ( 0.918 -2.518 -3.232) 4.199 17.643 ( 0.786 -2.029 -7.897) 8.191 17.735 ( -1.087 -4.483 6.828) 8.241 17.760 ( 0.568 -0.626 5.607) 5.671 17.815 ( 1.253 -0.892 -0.893) 1.779 17.853 ( 2.084 -0.175 -0.610) 2.178 18.004 ( 0.436 3.320 -1.980) 3.890 18.070 ( -2.411 6.583 -2.385) 7.405 18.127 ( -1.203 -3.043 -1.170) 3.475 18.278 ( -1.148 -2.531 -2.942) 4.047 18.325 ( 1.506 0.183 -1.867) 2.406 18.384 ( 0.349 -3.126 -2.974) 4.328 18.501 ( -1.593 3.226 3.965) 5.354 18.629 ( -3.900 -2.147 6.238) 7.664 18.792 ( 0.110 1.083 -0.474) 1.188 18.816 ( -0.911 -0.104 0.231) 0.946 21.329 ( -1.563 0.693 0.022) 1.710 21.363 ( -6.574 -0.580 -0.441) 6.615 21.375 ( 4.188 0.097 -0.521) 4.222 21.385 ( -3.911 0.201 -0.701) 3.978 21.401 ( -11.247 -0.224 -2.230) 11.469 21.427 ( 3.923 -2.124 -0.251) 4.468 21.547 ( 12.316 4.176 0.665) 13.022 21.617 ( 9.977 -0.259 -8.537) 13.133 21.645 ( 1.341 -0.689 -0.090) 1.510 21.716 ( 10.397 -2.763 7.007) 12.838 21.801 ( -7.687 5.668 3.736) 10.255 22.036 ( -4.769 -5.224 7.889) 10.596 27.019 ( -0.601 0.177 0.680) 0.924 27.031 ( -0.321 -0.385 0.682) 0.846 27.129 ( 0.219 0.068 -0.847) 0.878 27.131 ( 0.576 0.026 -0.584) 0.821 27.527 ( -0.908 0.310 1.432) 1.724 27.548 ( -0.518 -0.660 1.019) 1.320 27.566 ( 0.079 0.735 0.897) 1.162 27.593 ( -0.085 -0.462 0.983) 1.090 27.863 ( 0.615 -0.180 -0.513) 0.821 27.882 ( 1.089 -0.963 -1.054) 1.795 27.901 ( -0.328 0.850 -1.242) 1.540 27.919 ( -0.231 0.176 -1.182) 1.217 36.889 ( 3.994 0.479 -3.221) 5.153 36.929 ( 4.219 -1.494 -5.117) 6.798 37.089 ( -4.581 1.311 2.069) 5.195 37.203 ( -1.244 -4.905 -0.484) 5.083 37.304 ( -2.625 6.072 -3.655) 7.558 37.402 ( -2.165 4.511 -3.320) 6.005 37.453 ( -4.378 -1.495 -7.896) 9.151 37.609 ( -3.527 -5.950 -9.189) 11.502 37.802 ( -3.165 1.041 3.505) 4.836 37.846 ( -4.664 -1.931 10.761) 11.886 38.044 ( 1.271 7.578 4.851) 9.087 38.109 ( 7.479 5.161 4.557) 10.166 38.227 ( -1.893 -0.400 2.691) 3.315 38.426 ( 0.940 -1.778 6.069) 6.394 38.522 ( -0.238 6.259 -4.736) 7.853 38.620 ( -10.207 -1.752 6.802) 12.391 38.684 ( -1.167 -10.144 -0.600) 10.228 38.870 ( 2.381 -0.824 3.483) 4.299 38.939 ( 2.373 -0.266 1.764) 2.969 38.971 ( 6.457 3.021 -0.182) 7.131 39.133 ( 3.682 -3.784 -5.826) 7.862 39.221 ( 0.918 -4.513 -2.798) 5.389 39.404 ( -2.869 7.597 -4.760) 9.412 39.571 ( -3.119 -1.736 -5.408) 6.480 ======================= Grid point 71 (35/96) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -14.223 1.128 -5.216) 15.191 1.852 ( -17.488 4.245 -12.011) 21.636 2.004 ( -8.895 -7.793 -5.714) 13.134 2.124 ( -0.498 -4.206 -5.310) 6.793 2.269 ( 0.377 0.412 -3.422) 3.468 2.364 ( -8.269 -1.359 -3.664) 9.146 2.501 ( -5.066 7.506 -3.955) 9.881 2.619 ( 7.948 0.210 -5.799) 9.841 2.697 ( 2.193 -1.183 2.819) 3.762 2.743 ( 2.581 -1.987 0.567) 3.306 2.800 ( 2.792 -0.485 2.966) 4.102 2.843 ( 0.871 -1.131 4.201) 4.437 2.917 ( -8.852 4.613 -1.336) 10.071 3.041 ( 5.437 -1.226 3.768) 6.728 3.283 ( 0.888 6.013 -1.364) 6.230 3.360 ( -4.528 6.686 3.061) 8.636 3.482 ( 4.758 -2.646 -3.265) 6.349 3.541 ( -2.835 0.180 3.879) 4.809 3.723 ( 4.653 6.234 2.534) 8.181 3.833 ( -3.453 5.466 -1.923) 6.745 3.888 ( 4.590 1.818 4.974) 7.008 4.012 ( -0.963 -7.427 -2.752) 7.979 4.085 ( -6.109 3.760 3.403) 7.940 4.287 ( 1.692 -0.608 9.017) 9.194 4.349 ( 6.157 -2.909 0.456) 6.825 4.416 ( -2.106 -3.412 -1.390) 4.243 4.550 ( -1.359 -1.969 -5.165) 5.693 4.580 ( -1.808 -0.904 -0.966) 2.241 4.816 ( -2.754 1.746 5.628) 6.504 4.881 ( -1.588 1.952 1.786) 3.085 4.997 ( -3.507 -1.346 7.339) 8.245 5.067 ( -3.052 -1.346 2.674) 4.275 5.230 ( -4.740 1.025 -4.446) 6.580 5.290 ( -7.056 -1.781 -0.776) 7.319 5.377 ( -2.063 1.351 -1.593) 2.936 5.414 ( -4.662 -2.955 0.727) 5.567 5.578 ( -3.949 4.013 -1.069) 5.731 5.617 ( -1.739 3.383 0.680) 3.864 5.681 ( 0.691 4.437 -1.543) 4.748 5.810 ( -0.434 1.859 5.185) 5.525 5.835 ( -1.660 2.891 0.498) 3.371 5.906 ( -7.033 -2.872 -4.290) 8.724 5.958 ( -1.787 3.043 3.286) 4.822 5.991 ( -0.932 -7.781 -0.238) 7.840 6.085 ( -1.954 -2.988 -0.133) 3.573 6.187 ( 0.132 -0.980 -0.241) 1.018 6.270 ( -5.034 -2.968 7.123) 9.213 6.333 ( -0.010 1.463 5.614) 5.801 6.487 ( 2.347 8.111 -4.145) 9.406 6.617 ( -2.923 -1.034 -2.948) 4.279 6.750 ( -4.464 0.822 -0.505) 4.567 6.756 ( 1.141 0.790 -0.139) 1.395 6.834 ( -3.169 0.247 0.549) 3.225 6.956 ( 4.003 -8.218 7.878) 12.068 7.015 ( -7.503 -1.199 0.873) 7.648 7.108 ( -4.801 -3.399 -2.619) 6.439 7.194 ( -10.617 0.932 -0.838) 10.691 7.238 ( -4.560 1.244 2.647) 5.417 7.247 ( -8.056 0.100 -0.447) 8.069 7.350 ( -6.967 -4.781 -0.399) 8.459 7.452 ( -2.936 -6.291 -4.535) 8.292 7.500 ( -5.024 -1.234 3.825) 6.434 7.512 ( -0.534 4.349 1.981) 4.809 7.615 ( -3.608 -1.703 0.445) 4.014 7.698 ( -6.744 -1.232 -5.746) 8.946 7.717 ( -6.305 -4.531 -4.239) 8.846 7.812 ( -0.936 -1.871 -7.608) 7.890 7.895 ( 0.985 0.342 -2.320) 2.543 7.959 ( -9.138 -3.167 -1.475) 9.783 8.036 ( -5.611 -0.257 1.643) 5.852 8.102 ( -6.492 0.840 4.671) 8.041 8.145 ( -3.928 -2.723 0.076) 4.780 8.208 ( -4.115 1.462 0.498) 4.395 8.264 ( 1.696 4.295 4.398) 6.377 8.298 ( 3.046 1.106 1.511) 3.576 8.395 ( -2.605 2.787 -1.208) 4.001 8.444 ( 1.300 -5.121 -1.403) 5.467 8.464 ( 5.656 7.725 1.492) 9.690 8.547 ( 2.295 1.983 3.967) 4.994 8.561 ( -2.050 0.317 2.381) 3.158 8.625 ( -1.595 1.531 3.215) 3.902 8.646 ( 4.940 1.646 0.656) 5.249 8.743 ( 4.413 -1.093 1.957) 4.950 8.765 ( 2.389 -3.037 -1.576) 4.173 8.800 ( 1.729 -1.186 -1.166) 2.399 8.887 ( 6.813 -2.378 2.911) 7.781 8.991 ( 0.707 5.739 -0.629) 5.817 9.049 ( 0.776 2.337 2.158) 3.274 9.132 ( 1.157 -2.278 2.624) 3.662 9.152 ( -0.454 0.528 -1.222) 1.407 9.197 ( 2.497 3.701 -1.161) 4.613 9.259 ( 3.915 3.394 0.785) 5.241 9.347 ( 2.955 0.609 -0.119) 3.020 9.427 ( -1.424 -1.457 -0.243) 2.051 9.471 ( 7.559 0.443 -3.760) 8.455 9.523 ( 0.880 -1.537 1.840) 2.554 9.624 ( 3.724 -1.879 5.638) 7.013 9.689 ( 2.415 -2.457 2.475) 4.242 9.739 ( 3.824 0.274 0.740) 3.905 9.802 ( 3.362 0.510 0.762) 3.485 9.901 ( 6.762 5.292 -3.066) 9.118 9.974 ( 1.635 3.863 -0.150) 4.197 10.031 ( 6.065 -1.916 -1.835) 6.620 10.195 ( 3.048 -5.525 -6.033) 8.730 10.228 ( 9.558 4.226 -1.877) 10.617 10.365 ( 10.527 -2.349 -0.805) 10.816 10.542 ( 5.634 2.701 3.881) 7.355 10.683 ( 1.082 -1.478 -6.451) 6.706 10.760 ( 2.826 -3.825 4.494) 6.543 10.798 ( 5.034 -3.195 -9.920) 11.574 11.062 ( 1.253 9.546 -4.807) 10.761 11.343 ( 0.130 -2.908 4.403) 5.278 11.461 ( 7.419 0.549 -5.107) 9.024 11.627 ( 6.329 -6.543 2.992) 9.582 11.823 ( 0.182 3.914 -2.140) 4.465 11.893 ( -3.190 -0.124 -7.810) 8.437 12.682 ( -2.386 2.113 4.325) 5.373 12.726 ( 0.944 0.270 7.926) 7.986 12.987 ( -0.348 1.922 0.205) 1.964 13.225 ( 2.503 -9.695 -4.975) 11.181 13.919 ( 0.201 4.082 3.109) 5.135 14.032 ( 0.165 -0.008 1.375) 1.385 14.119 ( 0.563 1.613 -1.265) 2.126 14.360 ( 3.005 -7.842 2.065) 8.649 14.602 ( -0.309 4.380 -0.944) 4.491 14.675 ( -0.486 1.604 -1.434) 2.206 14.899 ( 1.590 1.069 -3.846) 4.297 14.995 ( 2.459 -2.249 -4.503) 5.602 16.333 ( -1.342 0.819 2.239) 2.736 16.364 ( -0.330 -0.596 3.712) 3.774 16.769 ( 0.522 0.980 -2.713) 2.932 16.803 ( 1.099 -0.368 -2.587) 2.835 17.043 ( 0.459 0.907 -1.759) 2.031 17.087 ( 0.175 -0.978 -0.515) 1.119 17.245 ( -1.175 1.666 1.225) 2.379 17.314 ( 0.803 -0.577 0.911) 1.344 17.342 ( -2.432 1.677 3.502) 4.582 17.382 ( -1.497 0.441 4.975) 5.214 17.492 ( 0.544 1.172 -3.144) 3.399 17.528 ( -1.948 -0.485 -0.983) 2.235 17.616 ( 1.600 -1.814 -3.876) 4.569 17.625 ( 1.791 -2.111 -2.375) 3.648 17.767 ( 0.998 -2.264 2.297) 3.376 17.806 ( 0.292 1.645 4.779) 5.063 17.852 ( 2.069 -1.621 0.797) 2.747 17.884 ( 1.004 -0.083 3.095) 3.254 17.990 ( -0.970 6.228 -0.913) 6.369 18.025 ( -1.542 2.996 0.380) 3.391 18.110 ( 0.585 -2.669 -2.211) 3.515 18.220 ( -1.563 -1.636 -5.049) 5.532 18.335 ( 1.655 -0.748 -3.881) 4.285 18.370 ( 1.474 -1.091 -4.848) 5.183 18.505 ( -1.503 2.011 4.500) 5.153 18.608 ( -3.845 -2.222 6.562) 7.923 18.787 ( -0.156 0.751 -0.909) 1.190 18.804 ( -0.524 -0.118 0.446) 0.698 21.045 ( -19.190 0.963 -0.657) 19.225 21.057 ( -19.435 0.704 -1.295) 19.491 21.090 ( -18.763 -0.622 -2.755) 18.975 21.144 ( -18.450 -4.351 0.855) 18.976 21.390 ( -10.998 8.904 3.103) 14.487 21.645 ( 9.180 -4.225 1.492) 10.215 21.742 ( 11.427 1.187 -4.187) 12.227 21.756 ( 10.917 0.564 -4.318) 11.754 21.802 ( 7.354 1.245 0.230) 7.462 21.832 ( 10.295 2.697 3.737) 11.279 21.949 ( 8.220 -2.111 6.503) 10.692 22.026 ( -2.197 -7.755 6.932) 10.631 27.013 ( -0.648 0.321 0.751) 1.043 27.030 ( -0.401 -0.438 0.528) 0.794 27.125 ( 0.061 0.135 -0.828) 0.842 27.133 ( 0.161 -0.226 -0.431) 0.513 27.522 ( -0.722 0.527 1.338) 1.610 27.554 ( 0.213 -0.920 1.165) 1.500 27.579 ( 0.632 0.637 1.018) 1.357 27.603 ( 0.272 -0.401 0.903) 1.025 27.863 ( 0.009 -0.184 -0.756) 0.778 27.873 ( -0.660 -0.250 -1.218) 1.408 27.913 ( 2.124 0.081 -1.014) 2.355 27.922 ( 1.646 0.032 -1.273) 2.082 36.920 ( 0.403 -0.307 -1.384) 1.474 36.941 ( -0.065 -1.366 -1.123) 1.770 37.029 ( -1.105 3.045 -2.300) 3.973 37.148 ( -3.480 -3.649 -3.688) 6.247 37.233 ( -1.970 3.137 -2.907) 4.709 37.278 ( -5.362 1.783 -7.359) 9.279 37.353 ( -4.458 -0.463 -1.349) 4.681 37.423 ( -7.280 -1.724 -10.426) 12.833 37.727 ( -5.787 1.560 2.264) 6.407 37.822 ( -8.666 -2.513 9.405) 13.034 38.020 ( -7.103 10.050 3.980) 12.934 38.158 ( 0.301 7.563 -1.522) 7.721 38.344 ( -5.483 -1.726 5.444) 7.917 38.396 ( 4.310 -3.650 8.591) 10.281 38.440 ( -3.347 2.076 -1.726) 4.300 38.563 ( 2.024 6.933 0.669) 7.253 38.629 ( -6.469 -6.065 0.196) 8.870 38.815 ( -11.013 5.128 1.264) 12.214 38.958 ( 4.673 -10.245 3.406) 11.764 39.219 ( 18.539 -12.401 -3.731) 22.614 39.283 ( 15.912 4.242 -2.677) 16.684 39.464 ( 20.052 6.648 -2.297) 21.250 39.511 ( 19.716 -1.407 -2.297) 19.899 39.675 ( 18.378 -0.959 -6.566) 19.540 ======================= Grid point 72 (36/96) ======================= q-point: (-0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -21.178 5.683 -4.816) 22.450 1.479 ( -20.643 3.941 -4.783) 21.553 1.770 ( -11.098 -13.929 -0.558) 17.819 2.012 ( -10.136 -9.387 -6.187) 15.137 2.217 ( -2.871 0.636 -0.389) 2.966 2.320 ( 3.710 3.443 3.009) 5.889 2.434 ( 0.619 6.772 -2.699) 7.317 2.566 ( -5.996 3.622 -8.685) 11.158 2.734 ( -5.205 3.646 2.516) 6.835 2.763 ( -6.318 6.713 -1.225) 9.299 2.845 ( 6.610 0.411 -2.314) 7.015 2.904 ( 2.787 0.623 3.967) 4.888 2.951 ( 9.936 2.709 1.773) 10.451 3.126 ( -0.626 -1.393 1.784) 2.349 3.185 ( -3.152 5.201 -0.970) 6.158 3.375 ( 2.538 2.773 1.492) 4.044 3.454 ( -3.634 3.253 2.924) 5.687 3.594 ( 2.479 -6.772 -2.626) 7.675 3.658 ( -3.683 -1.615 0.229) 4.028 3.837 ( -4.768 -11.709 -4.291) 13.351 3.936 ( 5.836 8.652 0.499) 10.448 3.989 ( -0.932 4.980 -0.563) 5.097 4.062 ( -0.147 -2.272 4.441) 4.991 4.294 ( -5.254 -7.465 2.295) 9.412 4.356 ( -0.551 -1.173 5.038) 5.202 4.445 ( -2.650 -2.934 -2.644) 4.756 4.531 ( 3.849 2.789 0.553) 4.786 4.617 ( 4.423 -0.017 -1.062) 4.549 4.791 ( -3.813 1.437 2.921) 5.013 4.838 ( -5.265 0.735 2.289) 5.788 4.951 ( -7.584 -2.775 6.724) 10.509 4.995 ( -7.078 -1.092 2.676) 7.646 5.054 ( -8.668 6.140 -8.550) 13.636 5.157 ( -9.230 -3.799 1.472) 10.089 5.241 ( -9.059 0.535 -1.650) 9.224 5.326 ( -5.024 0.542 0.242) 5.059 5.512 ( -5.172 -0.088 1.313) 5.337 5.567 ( -4.337 -0.218 0.777) 4.411 5.636 ( -3.913 3.717 -2.249) 5.847 5.732 ( -4.017 -2.261 -7.722) 8.993 5.795 ( -1.799 2.329 2.406) 3.801 5.868 ( -1.959 5.317 1.176) 5.788 5.938 ( -3.126 0.118 -2.740) 4.159 5.989 ( 0.301 -2.148 7.473) 7.782 6.068 ( -1.089 -0.497 6.269) 6.382 6.199 ( -3.707 -0.293 -0.306) 3.731 6.269 ( -3.057 1.065 9.272) 9.821 6.372 ( 0.086 0.564 0.819) 0.998 6.424 ( -5.527 4.105 4.549) 8.252 6.524 ( -4.964 -1.314 -3.450) 6.186 6.625 ( -7.706 -2.546 -0.505) 8.131 6.681 ( -11.448 5.429 -2.287) 12.874 6.780 ( 2.391 5.709 3.124) 6.933 6.834 ( -12.173 -6.178 2.234) 13.832 6.988 ( -8.226 0.703 -4.575) 9.439 7.021 ( -9.408 -2.157 -1.020) 9.706 7.074 ( 2.465 -3.039 -2.706) 4.757 7.178 ( -1.155 -3.232 0.074) 3.433 7.198 ( -2.356 -5.924 3.372) 7.212 7.255 ( -0.133 3.611 4.804) 6.011 7.353 ( -5.287 -1.769 -4.774) 7.340 7.411 ( -8.420 -4.945 0.553) 9.780 7.455 ( -8.036 -6.686 -0.589) 10.470 7.506 ( -2.607 -2.708 2.309) 4.412 7.603 ( -0.623 -3.031 0.137) 3.097 7.672 ( -1.052 -1.397 -0.713) 1.888 7.701 ( -1.749 -3.383 -6.105) 7.195 7.773 ( -8.596 -6.366 -1.686) 10.829 7.876 ( -3.722 1.508 2.055) 4.511 7.905 ( -7.429 1.350 -0.120) 7.551 7.963 ( -11.518 4.110 1.085) 12.277 8.091 ( -3.165 2.533 1.990) 4.515 8.165 ( -1.710 3.608 2.636) 4.784 8.279 ( -3.196 5.546 -1.260) 6.524 8.308 ( -1.726 -0.050 0.967) 1.979 8.407 ( -2.730 -5.252 4.170) 7.241 8.432 ( -1.464 -2.240 2.697) 3.799 8.460 ( -1.807 -1.620 2.520) 3.499 8.547 ( 0.267 0.984 -1.977) 2.225 8.584 ( 1.796 0.161 -1.764) 2.523 8.652 ( 1.693 4.231 2.145) 5.037 8.734 ( 4.151 2.527 -0.259) 4.867 8.755 ( 3.101 1.525 -2.355) 4.182 8.820 ( 0.583 1.299 -2.801) 3.142 8.961 ( 9.414 1.088 1.160) 9.547 8.985 ( 0.497 0.406 0.298) 0.708 9.027 ( 3.538 -1.672 -1.806) 4.309 9.039 ( 0.491 0.263 -0.476) 0.733 9.132 ( -0.221 2.829 2.730) 3.938 9.226 ( 6.876 1.647 1.305) 7.190 9.293 ( 4.668 2.447 0.674) 5.313 9.324 ( 4.010 1.863 5.516) 7.070 9.381 ( 1.283 -0.705 -0.268) 1.488 9.431 ( 3.363 -0.869 -2.581) 4.327 9.558 ( 4.219 2.865 0.754) 5.156 9.620 ( 6.521 -4.336 3.195) 8.458 9.662 ( -0.017 0.091 -0.010) 0.093 9.761 ( 5.443 -1.543 0.471) 5.677 9.853 ( 8.270 4.016 -1.323) 9.288 9.915 ( 6.347 0.451 -0.879) 6.424 10.004 ( -0.901 -0.706 -0.468) 1.236 10.026 ( 9.076 8.147 -1.108) 12.246 10.115 ( 7.465 -4.550 -4.701) 9.927 10.282 ( 11.745 -4.634 -0.517) 12.637 10.392 ( 8.526 4.040 -1.316) 9.526 10.518 ( 2.288 -2.755 -5.207) 6.320 10.633 ( 3.991 -0.428 -0.439) 4.038 10.711 ( 6.377 -1.264 3.847) 7.554 10.845 ( 9.268 -0.934 -4.288) 10.255 10.899 ( 8.749 -1.932 0.566) 8.978 11.086 ( 7.412 6.590 -6.439) 11.825 11.359 ( 2.023 -5.151 -3.386) 6.488 11.601 ( 8.507 4.267 1.166) 9.588 11.672 ( 0.108 -0.123 -4.054) 4.058 11.798 ( -0.641 1.740 -4.146) 4.542 11.981 ( 12.140 -5.344 6.827) 14.918 12.657 ( -3.606 2.054 3.017) 5.130 12.785 ( -0.853 -2.659 7.006) 7.542 12.908 ( -6.895 3.909 -3.693) 8.744 13.191 ( -1.818 -12.039 -8.134) 14.642 13.968 ( 3.724 6.217 0.328) 7.255 14.097 ( 6.992 -2.211 0.249) 7.337 14.161 ( 4.076 5.949 2.319) 7.575 14.432 ( 3.460 -6.070 2.617) 7.461 14.597 ( 0.283 2.615 0.164) 2.635 14.660 ( -0.461 0.709 -0.193) 0.867 14.907 ( 2.420 2.002 -4.085) 5.153 14.999 ( 2.272 -1.828 -5.369) 6.110 16.325 ( -2.313 1.379 4.591) 5.323 16.379 ( -1.594 -1.093 4.691) 5.073 16.746 ( -0.364 1.658 -3.626) 4.004 16.791 ( 0.428 -0.289 -4.368) 4.398 17.032 ( 0.024 1.426 -2.480) 2.861 17.082 ( -0.335 -0.821 -0.312) 0.940 17.244 ( 0.569 1.551 -0.306) 1.681 17.321 ( -1.229 -0.720 1.263) 1.903 17.330 ( -0.912 0.943 2.168) 2.534 17.396 ( -1.475 -0.888 5.430) 5.696 17.449 ( -0.872 0.272 -6.735) 6.797 17.492 ( -1.211 -1.718 -0.577) 2.180 17.638 ( 2.049 -1.322 -0.049) 2.439 17.647 ( 2.010 -1.586 -0.714) 2.658 17.787 ( 1.107 1.337 -3.145) 3.593 17.835 ( -0.521 1.436 2.680) 3.084 17.891 ( 1.819 0.550 3.457) 3.945 17.946 ( 1.268 -0.207 6.544) 6.669 17.981 ( -0.257 5.201 2.203) 5.654 18.010 ( -0.819 1.264 0.758) 1.687 18.100 ( -0.261 -2.362 -2.408) 3.383 18.170 ( 0.823 -1.313 -5.007) 5.242 18.316 ( 0.400 0.526 -5.611) 5.650 18.369 ( 2.482 -0.884 -5.017) 5.667 18.515 ( -1.096 0.827 4.279) 4.493 18.597 ( -3.100 -2.714 7.389) 8.460 18.773 ( -0.419 0.869 -1.211) 1.549 18.806 ( 0.016 -0.597 1.133) 1.280 20.701 ( -19.073 0.731 -0.670) 19.098 20.706 ( -19.339 0.926 -0.322) 19.363 20.735 ( -19.388 -0.658 -1.677) 19.472 20.801 ( -20.457 -4.679 0.423) 20.990 21.115 ( -21.082 13.628 2.165) 25.197 21.722 ( -3.054 -13.457 3.498) 14.235 21.896 ( 9.098 0.577 -2.502) 9.453 21.914 ( 9.269 -0.022 -2.707) 9.657 21.952 ( 8.170 -0.178 -0.022) 8.172 21.994 ( 5.942 -0.339 1.519) 6.142 22.067 ( 3.480 -3.969 2.958) 6.051 22.106 ( 4.377 -1.699 4.331) 6.388 27.007 ( -0.689 0.376 0.912) 1.203 27.025 ( -0.540 -0.405 0.397) 0.783 27.120 ( -0.043 0.091 -0.559) 0.568 27.130 ( -0.210 -0.382 -0.426) 0.610 27.523 ( -0.261 0.841 1.356) 1.617 27.571 ( 0.631 -1.333 1.306) 1.970 27.601 ( 1.017 0.304 0.874) 1.375 27.614 ( 0.400 -0.190 0.654) 0.790 27.846 ( -0.600 0.410 -1.718) 1.865 27.864 ( 0.423 -0.426 -1.107) 1.260 27.948 ( 2.549 -0.171 -0.753) 2.663 27.951 ( 2.306 -0.333 -0.819) 2.470 36.848 ( -5.790 2.478 -0.304) 6.305 36.942 ( -0.634 -2.782 -0.997) 3.022 37.021 ( 1.026 0.540 -2.016) 2.326 37.053 ( -2.130 -0.490 -4.429) 4.939 37.140 ( -4.506 2.791 -4.683) 7.073 37.186 ( -2.878 1.658 0.009) 3.321 37.248 ( -6.346 -0.427 -2.861) 6.974 37.269 ( -3.660 -2.622 -1.554) 4.762 37.642 ( -6.807 0.705 3.930) 7.892 37.706 ( -9.281 -1.929 4.690) 10.576 37.916 ( -6.503 7.010 2.397) 9.857 38.113 ( -8.663 -1.505 0.827) 8.832 38.241 ( 1.778 14.209 1.091) 14.361 38.368 ( -3.238 5.924 -1.450) 6.905 38.474 ( -7.426 0.224 -2.166) 7.738 38.564 ( 3.149 12.095 -1.505) 12.589 38.674 ( -4.378 9.451 0.742) 10.442 38.750 ( 14.002 -9.201 9.124) 19.078 39.077 ( 6.878 -16.777 0.368) 18.136 39.504 ( 19.582 -1.672 -8.124) 21.266 39.648 ( 19.737 3.289 3.699) 20.349 39.765 ( 24.349 2.020 -5.963) 25.150 39.968 ( 26.343 -5.200 0.942) 26.868 40.037 ( 25.583 -1.894 -2.728) 25.798 ======================= Grid point 73 (37/96) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -23.624 12.249 -2.282) 26.708 1.054 ( -20.560 8.378 8.152) 23.651 1.660 ( -4.650 -18.478 5.576) 19.854 1.759 ( -11.607 -17.172 -7.260) 21.962 2.052 ( -24.395 20.775 2.280) 32.124 2.265 ( -6.836 7.486 1.599) 10.263 2.449 ( -1.083 7.804 1.833) 8.089 2.554 ( 6.662 10.478 -1.102) 12.465 2.615 ( -5.808 2.242 1.011) 6.307 2.642 ( -0.818 -0.974 -0.877) 1.545 2.885 ( 1.888 0.112 -7.770) 7.997 2.941 ( 2.491 4.937 -5.409) 7.735 3.071 ( -1.379 9.510 -1.229) 9.687 3.170 ( 9.803 -2.433 -0.322) 10.105 3.259 ( 7.572 -5.138 -0.806) 9.187 3.412 ( -3.884 5.276 6.614) 9.310 3.467 ( 5.333 -7.512 -0.002) 9.213 3.510 ( -5.392 -8.111 3.288) 10.279 3.699 ( 4.455 -5.582 -2.070) 7.436 3.763 ( -1.228 -13.121 -0.435) 13.186 3.951 ( 0.514 5.233 1.170) 5.387 4.058 ( 3.502 2.088 -1.442) 4.324 4.069 ( -1.492 -0.492 1.345) 2.068 4.194 ( -6.108 -4.656 1.191) 7.772 4.366 ( -4.330 2.237 5.650) 7.462 4.404 ( 0.425 -2.959 -1.385) 3.295 4.534 ( -5.242 0.904 3.361) 6.292 4.635 ( -2.783 -2.447 -3.763) 5.281 4.707 ( -10.527 -0.874 1.367) 10.652 4.723 ( -4.856 -0.595 -4.767) 6.831 4.786 ( -9.744 3.649 -3.987) 11.142 4.887 ( -4.592 4.155 0.064) 6.193 4.924 ( -3.145 0.537 0.518) 3.233 4.991 ( -7.842 -6.710 1.821) 10.481 5.127 ( -6.946 -0.143 5.543) 8.887 5.248 ( -5.571 -1.386 1.173) 5.860 5.381 ( -7.313 2.559 -1.037) 7.817 5.463 ( -6.772 -1.732 -0.634) 7.018 5.588 ( -2.118 0.403 1.081) 2.412 5.659 ( -1.691 -0.474 1.765) 2.490 5.756 ( -2.250 4.491 -7.619) 9.126 5.825 ( -3.171 -1.011 -2.974) 4.464 5.866 ( -3.356 6.244 7.579) 10.378 5.977 ( -7.049 1.172 1.465) 7.295 6.073 ( -2.228 1.607 -1.485) 3.123 6.116 ( -4.370 -2.209 9.064) 10.303 6.245 ( -6.359 1.422 4.415) 7.871 6.337 ( -7.180 -1.133 0.850) 7.318 6.384 ( -2.219 3.984 3.510) 5.754 6.433 ( -8.659 -2.762 -0.071) 9.089 6.485 ( -8.427 -1.745 -3.049) 9.130 6.516 ( -3.107 2.965 1.809) 4.661 6.609 ( -9.342 -1.475 1.419) 9.564 6.815 ( -8.511 4.780 -4.240) 10.643 6.859 ( 4.463 4.953 -5.369) 8.560 6.900 ( -0.803 -0.621 2.427) 2.631 7.042 ( -4.296 -0.862 -3.897) 5.864 7.093 ( -5.260 -8.710 2.211) 10.413 7.174 ( -2.646 -4.049 1.198) 4.983 7.231 ( -1.985 -5.433 -4.644) 7.418 7.309 ( -1.710 -1.647 -2.196) 3.234 7.358 ( -1.835 -2.586 0.639) 3.235 7.394 ( 2.732 -1.054 4.053) 5.000 7.498 ( 0.946 -5.886 4.365) 7.389 7.553 ( -2.195 -0.641 -3.663) 4.318 7.614 ( -9.362 -4.378 2.247) 10.577 7.655 ( -1.803 -3.671 0.829) 4.173 7.720 ( 0.067 -4.680 3.028) 5.575 7.775 ( -6.214 5.045 -4.000) 8.948 7.806 ( -3.718 1.754 4.999) 6.472 7.860 ( -0.495 -1.250 2.395) 2.746 8.057 ( -4.163 -3.811 2.415) 6.139 8.112 ( -5.302 4.654 0.140) 7.056 8.186 ( -5.443 7.497 1.110) 9.331 8.276 ( -2.501 -5.328 1.161) 5.999 8.363 ( -2.989 0.937 -4.305) 5.324 8.419 ( 1.636 2.001 3.010) 3.968 8.511 ( -2.560 -0.322 6.474) 6.969 8.516 ( -0.530 -1.976 -1.936) 2.816 8.585 ( 0.735 -4.379 -2.395) 5.045 8.679 ( 0.562 1.355 -2.758) 3.124 8.768 ( 1.424 5.977 -2.591) 6.668 8.786 ( 0.991 2.833 -2.355) 3.815 8.817 ( 3.331 4.707 -0.396) 5.780 8.949 ( -2.277 -0.763 -3.371) 4.139 9.028 ( 2.205 -4.019 0.838) 4.660 9.066 ( 1.766 -1.660 1.939) 3.103 9.086 ( -0.304 -2.112 0.821) 2.287 9.188 ( 4.196 4.690 0.505) 6.313 9.354 ( 2.196 2.417 1.325) 3.524 9.369 ( 6.149 2.327 1.784) 6.812 9.409 ( 4.034 2.475 -2.513) 5.358 9.442 ( 2.234 1.329 -5.491) 6.075 9.486 ( 6.159 -2.660 5.022) 8.380 9.613 ( 1.703 -0.500 -3.436) 3.868 9.690 ( 4.194 2.426 0.468) 4.868 9.774 ( 6.986 -3.570 4.460) 9.024 9.864 ( 6.231 -0.072 -1.960) 6.533 9.940 ( -0.092 0.849 -0.967) 1.290 9.955 ( 0.871 1.296 -4.812) 5.059 9.990 ( 4.227 1.995 0.813) 4.745 10.148 ( 5.132 2.485 -4.810) 7.459 10.307 ( 13.420 1.959 5.521) 14.643 10.380 ( -2.293 1.149 -4.048) 4.792 10.445 ( 0.231 2.152 -5.355) 5.775 10.607 ( 16.479 -3.856 3.955) 17.380 10.729 ( 3.314 -1.316 4.536) 5.769 10.880 ( 7.364 -7.283 9.800) 14.259 11.001 ( 10.114 4.344 -3.160) 11.452 11.086 ( 11.427 0.923 -0.155) 11.465 11.215 ( 10.904 -0.083 -6.319) 12.602 11.371 ( 3.167 -4.946 -5.321) 7.925 11.623 ( -1.024 3.026 -4.848) 5.806 11.735 ( 5.917 -0.466 -0.075) 5.935 11.832 ( 5.094 8.527 3.337) 10.478 12.233 ( 8.750 -9.698 5.221) 14.067 12.588 ( -5.585 0.758 -1.338) 5.793 12.736 ( -8.614 6.989 -0.756) 11.118 12.785 ( -3.564 -8.016 1.256) 8.862 13.033 ( -8.907 -12.014 -7.004) 16.515 14.065 ( 9.788 11.441 -6.057) 16.229 14.250 ( 10.104 1.497 -1.576) 10.335 14.293 ( 7.416 4.759 4.246) 9.782 14.530 ( 5.736 -2.148 1.934) 6.424 14.621 ( 1.901 1.922 2.249) 3.516 14.659 ( -0.409 -0.052 2.055) 2.096 14.915 ( 1.951 2.328 -4.277) 5.246 15.003 ( 2.693 -1.613 -4.990) 5.895 16.327 ( -2.256 0.857 7.223) 7.616 16.377 ( -2.693 -1.322 5.088) 5.907 16.710 ( -0.110 2.356 -4.294) 4.899 16.759 ( 1.345 0.812 -7.413) 7.578 17.009 ( -0.059 2.240 -3.071) 3.802 17.073 ( -0.315 -0.872 -0.172) 0.943 17.247 ( 1.178 0.071 -3.858) 4.035 17.296 ( -0.720 -1.333 -2.899) 3.271 17.331 ( -0.185 -0.166 -2.153) 2.168 17.389 ( -2.126 -2.363 3.012) 4.379 17.415 ( -0.172 1.677 1.996) 2.612 17.481 ( -0.600 -0.680 2.431) 2.594 17.669 ( 1.300 0.676 -1.319) 1.972 17.678 ( 1.615 -1.225 0.613) 2.118 17.779 ( 0.967 2.554 -1.135) 2.957 17.839 ( -0.311 -0.000 0.616) 0.690 17.948 ( 1.142 3.120 1.317) 3.574 17.985 ( -0.346 1.518 -0.126) 1.562 18.010 ( 0.620 1.764 5.486) 5.796 18.024 ( 0.639 1.481 4.101) 4.407 18.087 ( 0.137 -1.024 1.178) 1.567 18.172 ( 2.368 -2.830 -2.787) 4.624 18.280 ( 0.200 2.291 -4.354) 4.924 18.377 ( 2.239 -1.946 -4.326) 5.245 18.530 ( -0.597 0.498 3.715) 3.795 18.615 ( -1.420 -3.353 8.433) 9.185 18.758 ( -0.260 1.314 -1.013) 1.680 18.821 ( 0.357 -1.374 1.996) 2.449 20.386 ( -15.845 0.338 -0.275) 15.851 20.394 ( -15.697 0.803 -0.129) 15.718 20.406 ( -16.633 -0.533 -0.451) 16.648 20.459 ( -18.150 -3.226 0.089) 18.435 20.710 ( -25.284 12.419 0.043) 28.169 21.545 ( -19.125 -32.082 -6.111) 37.847 22.016 ( 6.136 0.316 -1.180) 6.257 22.034 ( 6.228 -0.459 -1.636) 6.456 22.070 ( 5.408 -0.317 -0.525) 5.443 22.085 ( 4.418 -1.020 -0.397) 4.552 22.147 ( 3.050 0.034 1.602) 3.446 22.183 ( 1.769 -0.829 2.358) 3.062 27.001 ( -0.737 0.389 0.750) 1.121 27.019 ( -0.493 -0.400 0.729) 0.967 27.116 ( -0.125 0.000 -0.167) 0.209 27.121 ( -0.312 -0.296 -0.448) 0.620 27.533 ( 0.168 0.947 1.427) 1.721 27.591 ( 0.460 -1.854 1.198) 2.255 27.626 ( 1.087 0.153 0.734) 1.320 27.628 ( 0.694 0.137 0.549) 0.895 27.825 ( -0.239 1.043 -1.861) 2.147 27.865 ( 0.738 -0.828 -1.475) 1.845 27.985 ( 2.116 -0.242 -0.524) 2.194 27.991 ( 2.742 -0.270 -0.425) 2.788 36.748 ( -3.731 3.682 -3.384) 6.239 36.874 ( -2.846 -3.761 -5.700) 7.398 37.025 ( -2.761 1.545 0.909) 3.292 37.031 ( 0.509 0.200 2.574) 2.632 37.075 ( -2.168 0.920 2.782) 3.645 37.134 ( -3.711 0.260 2.067) 4.256 37.162 ( -2.165 0.026 4.889) 5.347 37.216 ( -2.310 -2.740 -0.020) 3.584 37.538 ( -7.965 0.636 3.203) 8.609 37.591 ( -6.447 -2.184 1.716) 7.020 37.858 ( -2.186 3.886 3.539) 5.692 38.002 ( -4.621 -3.218 3.439) 6.598 38.215 ( -5.863 4.637 -1.073) 7.552 38.349 ( -4.331 1.962 1.366) 4.947 38.364 ( 0.145 10.712 0.827) 10.745 38.637 ( 1.612 9.807 -1.218) 10.013 38.748 ( 23.175 47.365 -4.413) 52.915 39.039 ( 12.100 -14.336 6.774) 19.945 39.196 ( 7.914 -16.845 -1.744) 18.693 39.780 ( 16.509 11.306 -3.188) 20.261 39.942 ( 13.150 13.845 2.427) 19.248 40.254 ( 31.762 -11.755 -4.783) 34.204 40.398 ( 22.358 -3.971 -0.367) 22.711 40.485 ( 24.709 -5.812 2.381) 25.494 ======================= Grid point 74 (38/96) ======================= q-point: (-0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -15.777 14.780 6.438) 22.557 0.865 ( -16.365 18.432 17.539) 30.252 1.514 ( -13.008 -4.776 4.454) 14.556 1.623 ( -11.913 6.232 6.619) 14.985 1.661 ( -7.717 -3.159 6.889) 10.816 2.257 ( 2.021 11.326 -0.892) 11.539 2.291 ( -11.906 9.498 -3.617) 15.654 2.474 ( -4.198 0.151 -4.916) 6.466 2.612 ( 1.354 6.817 -0.372) 6.960 2.814 ( 6.943 0.294 1.628) 7.138 2.837 ( 1.016 -0.021 -5.792) 5.880 2.962 ( 3.211 4.796 -3.782) 6.901 3.023 ( 0.900 11.524 1.111) 11.613 3.267 ( 2.561 -12.228 -2.643) 12.770 3.339 ( -0.339 -0.402 -2.615) 2.667 3.419 ( 3.211 -1.785 0.831) 3.767 3.509 ( 1.840 -7.378 10.778) 13.190 3.602 ( 6.921 -4.923 -1.031) 8.556 3.740 ( 2.163 -7.654 -1.413) 8.079 3.799 ( 2.423 -7.643 2.818) 8.499 3.953 ( -2.490 3.437 0.208) 4.249 4.008 ( -2.344 -2.039 1.222) 3.339 4.088 ( -0.706 -0.630 1.053) 1.416 4.142 ( -3.078 -0.201 1.397) 3.387 4.263 ( -9.388 2.706 3.255) 10.298 4.395 ( -3.501 -1.009 -0.843) 3.740 4.451 ( -13.660 -1.228 -1.990) 13.859 4.465 ( -2.901 -2.947 2.821) 5.006 4.545 ( -2.221 -1.988 -1.301) 3.252 4.581 ( -2.357 -0.841 -7.209) 7.631 4.701 ( -1.066 0.844 -2.190) 2.578 4.793 ( -4.057 0.943 -2.511) 4.864 4.919 ( -0.767 2.318 1.917) 3.104 4.935 ( -2.959 -3.527 6.716) 8.142 5.041 ( -8.215 -3.717 5.249) 10.433 5.139 ( -6.166 0.595 0.323) 6.203 5.276 ( -4.335 -2.413 -3.232) 5.921 5.362 ( -4.943 -0.088 3.729) 6.193 5.557 ( -0.881 2.372 -2.368) 3.466 5.654 ( -1.823 -0.323 -6.460) 6.720 5.674 ( -1.773 0.989 5.471) 5.835 5.751 ( -0.278 -5.460 -1.587) 5.693 5.863 ( -7.528 4.100 3.672) 9.326 5.882 ( -2.850 5.107 5.860) 8.279 5.957 ( -9.864 -1.127 -3.242) 10.444 6.091 ( -1.157 -1.320 1.658) 2.414 6.153 ( -9.601 -4.598 1.874) 10.809 6.198 ( -1.557 6.213 -1.570) 6.595 6.255 ( -8.937 -4.242 1.331) 9.982 6.341 ( -3.398 1.503 -3.283) 4.958 6.361 ( -2.929 4.329 -2.039) 5.610 6.463 ( -3.486 5.143 1.645) 6.427 6.607 ( 0.942 3.416 2.414) 4.288 6.660 ( -4.144 5.288 -1.574) 6.900 6.870 ( -0.577 5.552 -4.846) 7.392 6.940 ( 3.292 -8.085 -2.491) 9.078 6.957 ( -1.677 -1.780 -3.618) 4.367 7.055 ( -3.129 -1.432 -0.695) 3.511 7.063 ( -2.006 -10.515 3.334) 11.212 7.234 ( -0.354 -3.358 -3.537) 4.890 7.274 ( 2.124 -0.473 1.234) 2.502 7.382 ( -0.902 -4.950 -4.890) 7.016 7.410 ( -1.536 1.405 0.785) 2.224 7.472 ( -4.820 -4.555 1.970) 6.918 7.489 ( -2.169 1.636 2.301) 3.560 7.590 ( -2.608 -6.942 -1.726) 7.614 7.617 ( 0.918 -2.413 4.757) 5.412 7.678 ( 0.006 4.352 -3.027) 5.302 7.713 ( -1.293 3.230 0.514) 3.517 7.854 ( 0.729 -7.558 6.734) 10.149 7.891 ( 1.216 -2.173 2.118) 3.269 7.981 ( -4.831 -8.199 1.356) 9.613 8.025 ( -4.499 5.130 0.945) 6.888 8.138 ( -6.362 9.115 -5.103) 12.231 8.163 ( -4.932 -4.682 0.690) 6.835 8.296 ( -1.251 2.956 2.774) 4.242 8.382 ( -5.080 -2.643 -1.203) 5.852 8.504 ( -1.494 -4.197 0.458) 4.478 8.521 ( -1.686 5.689 -6.458) 8.770 8.599 ( 4.818 0.623 0.254) 4.865 8.680 ( 0.897 -1.930 0.987) 2.346 8.786 ( 1.847 -0.598 -5.622) 5.948 8.807 ( 4.216 3.037 2.520) 5.775 8.850 ( 1.414 5.235 -2.258) 5.874 8.917 ( -0.894 -0.738 2.559) 2.809 9.024 ( -1.663 0.347 -1.692) 2.398 9.079 ( -1.431 -4.224 -0.898) 4.549 9.091 ( 0.000 -4.519 1.141) 4.660 9.248 ( 2.711 1.343 0.362) 3.047 9.368 ( -1.538 2.386 -11.323) 11.673 9.371 ( 0.962 0.800 -1.714) 2.122 9.465 ( 2.073 1.544 1.365) 2.923 9.513 ( 5.619 2.845 5.190) 8.161 9.586 ( 2.829 0.724 -3.991) 4.945 9.629 ( 3.609 -3.797 0.100) 5.239 9.745 ( 1.427 -0.627 -0.483) 1.632 9.850 ( 1.270 5.233 -8.060) 9.693 9.933 ( 0.603 1.104 0.757) 1.468 9.941 ( 0.950 0.435 -1.400) 1.747 9.981 ( 7.421 -1.132 3.149) 8.140 10.077 ( 3.211 4.549 1.875) 5.875 10.171 ( 0.770 0.436 0.177) 0.902 10.308 ( -1.322 1.385 -4.181) 4.599 10.422 ( 0.211 -0.398 2.338) 2.381 10.560 ( 7.414 8.308 4.962) 12.191 10.813 ( 1.301 2.609 5.765) 6.460 10.933 ( 13.291 -9.255 3.060) 16.482 11.070 ( 4.789 -4.783 4.774) 8.283 11.204 ( 10.278 -4.223 16.270) 19.702 11.247 ( 7.391 -4.000 1.764) 8.587 11.309 ( 4.996 -1.709 -6.602) 8.453 11.414 ( 5.842 -3.645 -2.997) 7.509 11.578 ( 0.146 9.236 -3.895) 10.025 11.886 ( 11.531 -3.837 2.360) 12.380 11.978 ( 8.106 8.762 5.334) 13.075 12.257 ( -8.177 -7.486 -1.066) 11.137 12.516 ( 0.027 -0.226 0.108) 0.252 12.578 ( -12.243 -6.292 -3.355) 14.168 12.669 ( -4.863 0.821 -1.332) 5.108 12.864 ( -7.199 -4.362 2.384) 8.748 14.183 ( 9.426 10.642 -10.969) 17.956 14.380 ( 4.819 -3.686 -1.500) 6.250 14.475 ( 11.261 14.712 -2.353) 18.676 14.607 ( 2.555 0.798 -0.582) 2.739 14.677 ( 0.921 0.398 3.214) 3.367 14.752 ( 9.996 3.444 0.918) 10.613 14.912 ( 1.033 3.228 -3.816) 5.104 15.022 ( 3.163 -1.512 -4.071) 5.372 16.325 ( -2.891 -0.399 1.894) 3.479 16.388 ( -1.978 -5.300 9.153) 10.760 16.687 ( 1.330 2.746 -4.038) 5.061 16.745 ( 5.375 2.216 -12.191) 13.507 16.993 ( 0.825 2.955 -2.747) 4.118 17.072 ( 0.377 -1.291 -0.047) 1.345 17.205 ( 0.073 -1.082 -10.250) 10.308 17.280 ( -0.843 -2.325 1.674) 2.986 17.300 ( 2.235 1.588 -4.814) 5.540 17.392 ( -0.965 -3.253 2.568) 4.256 17.451 ( 0.683 2.089 5.325) 5.761 17.502 ( 0.094 0.098 3.905) 3.907 17.667 ( 1.081 4.189 -3.306) 5.445 17.713 ( 1.651 -1.421 1.176) 2.476 17.810 ( 1.877 0.486 1.414) 2.400 17.835 ( 0.311 -0.510 -1.196) 1.337 17.941 ( -1.374 6.186 0.551) 6.360 17.976 ( 0.195 1.756 -1.820) 2.537 18.040 ( -0.823 -1.402 -1.511) 2.220 18.087 ( 1.557 1.321 7.491) 7.764 18.109 ( 1.345 2.713 2.759) 4.096 18.218 ( 2.951 -2.899 2.099) 4.639 18.273 ( 0.843 1.560 0.109) 1.777 18.385 ( 1.915 -2.603 -2.847) 4.307 18.554 ( 0.333 1.559 3.810) 4.130 18.671 ( -0.109 -3.787 9.532) 10.257 18.750 ( 0.026 1.974 -0.609) 2.066 18.847 ( 0.292 -2.298 3.132) 3.895 20.159 ( -9.650 0.048 -0.621) 9.670 20.164 ( -9.272 -0.108 -0.153) 9.274 20.178 ( -9.221 0.210 0.389) 9.232 20.196 ( -11.053 -0.914 0.064) 11.091 20.287 ( -20.327 4.902 -0.505) 20.915 20.822 ( -51.281 -33.081 -22.061) 64.890 22.093 ( 3.289 0.249 -0.283) 3.310 22.109 ( 3.399 -0.481 -0.774) 3.519 22.135 ( 2.903 0.209 -1.077) 3.103 22.144 ( 2.389 -0.239 0.029) 2.401 22.191 ( 0.898 0.475 1.099) 1.497 22.210 ( -0.119 -0.251 1.274) 1.304 26.994 ( -0.601 0.537 0.507) 0.952 27.020 ( -0.322 -0.612 1.303) 1.475 27.112 ( -0.171 0.059 -0.256) 0.313 27.116 ( -0.116 -0.121 0.036) 0.172 27.547 ( 0.063 0.913 1.467) 1.729 27.603 ( -0.009 -1.746 1.057) 2.042 27.645 ( 0.740 0.443 0.705) 1.114 27.650 ( 0.789 0.029 0.883) 1.184 27.811 ( 0.317 1.472 -1.862) 2.394 27.866 ( 0.761 -1.109 -1.791) 2.240 28.017 ( 1.783 0.302 0.092) 1.811 28.032 ( 1.974 -0.310 -0.109) 2.001 36.672 ( -1.386 3.632 -4.566) 5.997 36.796 ( -0.918 -3.359 -5.866) 6.822 36.980 ( -2.491 2.552 1.884) 4.033 37.043 ( -2.481 -0.950 3.229) 4.181 37.069 ( -0.776 0.471 3.675) 3.786 37.116 ( -0.942 0.986 6.248) 6.395 37.183 ( -1.504 -1.603 0.985) 2.409 37.248 ( 1.397 -6.914 12.936) 14.734 37.430 ( -5.430 0.791 0.629) 5.523 37.507 ( -3.655 -3.283 0.172) 4.916 37.884 ( 0.082 2.166 7.112) 7.435 37.996 ( -1.569 -1.982 7.434) 7.852 38.114 ( -3.638 2.293 -1.478) 4.548 38.266 ( -3.067 -4.576 -1.952) 5.845 38.378 ( -0.738 17.842 0.440) 17.863 38.629 ( 0.688 9.738 -5.593) 11.251 39.035 ( 7.247 -5.265 -13.560) 16.252 39.252 ( 4.677 -26.242 -1.751) 26.713 39.819 ( 50.723 38.659 11.982) 64.892 40.092 ( 33.506 25.415 11.846) 43.691 40.157 ( 7.772 14.049 5.557) 16.990 40.667 ( 18.023 -6.853 -5.851) 20.150 40.740 ( 17.275 -2.248 2.481) 17.596 40.920 ( 20.980 -3.876 1.166) 21.367 ======================= Grid point 75 (39/96) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.232 -17.694 3.596) 18.057 0.995 ( 0.232 17.694 3.596) 18.057 1.256 ( 3.193 -23.063 7.873) 24.578 1.256 ( 3.193 23.063 7.873) 24.578 2.210 ( -5.467 -10.770 7.501) 14.218 2.210 ( -5.467 10.770 7.501) 14.218 2.384 ( 5.513 -9.505 3.824) 11.635 2.384 ( 5.513 9.505 3.824) 11.635 2.802 ( -1.459 -13.105 -2.475) 13.416 2.802 ( -1.459 13.105 -2.475) 13.416 2.916 ( 3.895 -4.186 2.143) 6.106 2.916 ( 3.895 4.186 2.143) 6.106 3.119 ( 2.210 -10.549 -5.270) 11.998 3.119 ( 2.210 10.549 -5.270) 11.998 3.443 ( -3.023 -15.587 -0.751) 15.895 3.443 ( -3.023 15.587 -0.751) 15.895 3.529 ( 2.962 -3.418 4.211) 6.180 3.529 ( 2.962 3.418 4.211) 6.180 3.716 ( -1.889 -3.246 1.026) 3.893 3.716 ( -1.889 3.246 1.026) 3.893 3.958 ( -1.488 -1.098 2.885) 3.427 3.958 ( -1.488 1.098 2.885) 3.427 4.089 ( -0.204 -1.517 0.239) 1.549 4.089 ( -0.204 1.517 0.239) 1.549 4.233 ( -0.435 -6.826 -2.286) 7.212 4.233 ( -0.435 6.826 -2.286) 7.212 4.368 ( -3.004 -5.747 2.397) 6.913 4.368 ( -3.004 5.747 2.397) 6.913 4.560 ( 3.043 -1.815 1.646) 3.907 4.560 ( 3.043 1.815 1.646) 3.907 4.700 ( -0.406 -4.185 -0.931) 4.307 4.700 ( -0.406 4.185 -0.931) 4.307 4.873 ( -4.249 -3.838 -3.123) 6.522 4.873 ( -4.249 3.838 -3.123) 6.522 5.056 ( 3.013 -5.834 5.497) 8.563 5.056 ( 3.013 5.834 5.497) 8.563 5.281 ( -0.348 -4.727 -1.317) 4.920 5.281 ( -0.348 4.727 -1.317) 4.920 5.585 ( -1.681 -2.707 -2.538) 4.074 5.585 ( -1.681 2.707 -2.538) 4.074 5.679 ( 3.831 -6.002 3.399) 7.890 5.679 ( 3.831 6.002 3.399) 7.890 5.875 ( -0.586 -2.017 -0.435) 2.146 5.875 ( -0.586 2.017 -0.435) 2.146 5.962 ( -3.999 -3.879 4.539) 7.186 5.962 ( -3.999 3.879 4.539) 7.186 6.073 ( -0.098 -2.176 -0.079) 2.180 6.073 ( -0.098 2.176 -0.079) 2.180 6.292 ( 0.928 -2.757 -5.687) 6.388 6.292 ( 0.928 2.757 -5.687) 6.388 6.370 ( -3.301 -6.119 -3.148) 7.632 6.370 ( -3.301 6.119 -3.148) 7.632 6.706 ( -1.071 -11.039 -1.837) 11.242 6.706 ( -1.071 11.039 -1.837) 11.242 6.768 ( 0.134 -5.248 -2.072) 5.643 6.768 ( 0.134 5.248 -2.072) 5.643 6.993 ( 2.228 -3.428 -0.793) 4.164 6.993 ( 2.228 3.428 -0.793) 4.164 7.149 ( 4.148 -5.607 5.153) 8.671 7.149 ( 4.148 5.607 5.153) 8.671 7.258 ( -4.154 -2.987 -0.225) 5.121 7.258 ( -4.154 2.987 -0.225) 5.121 7.395 ( -1.518 -3.846 -3.261) 5.266 7.395 ( -1.518 3.846 -3.261) 5.266 7.541 ( -0.748 -5.768 2.859) 6.481 7.541 ( -0.748 5.768 2.859) 6.481 7.657 ( 1.285 -6.035 0.758) 6.216 7.657 ( 1.285 6.035 0.758) 6.216 7.780 ( 3.049 -3.505 -2.398) 5.228 7.780 ( 3.049 3.505 -2.398) 5.228 7.868 ( -1.058 -3.235 0.874) 3.514 7.868 ( -1.058 3.235 0.874) 3.514 8.062 ( -0.852 -5.501 1.884) 5.877 8.062 ( -0.852 5.501 1.884) 5.877 8.214 ( -2.371 -6.428 0.941) 6.915 8.214 ( -2.371 6.428 0.941) 6.915 8.375 ( -1.366 -5.401 -0.914) 5.646 8.375 ( -1.366 5.401 -0.914) 5.646 8.608 ( 0.724 -7.915 -6.509) 10.273 8.608 ( 0.724 7.915 -6.509) 10.273 8.689 ( 0.681 -2.655 -3.715) 4.617 8.689 ( 0.681 2.655 -3.715) 4.617 8.909 ( 1.280 -2.318 3.949) 4.755 8.909 ( 1.280 2.318 3.949) 4.755 8.971 ( -0.659 -2.919 -0.863) 3.114 8.971 ( -0.659 2.919 -0.863) 3.114 9.019 ( -1.009 -3.217 1.164) 3.567 9.019 ( -1.009 3.217 1.164) 3.567 9.263 ( -0.654 -0.405 -6.972) 7.014 9.263 ( -0.654 0.405 -6.972) 7.014 9.431 ( 0.664 -4.489 -2.621) 5.240 9.431 ( 0.664 4.489 -2.621) 5.240 9.640 ( 1.943 -2.661 2.657) 4.232 9.640 ( 1.943 2.661 2.657) 4.232 9.684 ( -0.034 -3.482 0.864) 3.588 9.684 ( -0.034 3.482 0.864) 3.588 9.894 ( 0.304 -2.749 -4.455) 5.244 9.894 ( 0.304 2.749 -4.455) 5.244 10.016 ( -0.406 -5.459 -0.840) 5.538 10.016 ( -0.406 5.459 -0.840) 5.538 10.189 ( 0.510 -1.697 3.425) 3.856 10.189 ( 0.510 1.697 3.425) 3.856 10.371 ( 0.349 -7.374 1.879) 7.618 10.371 ( 0.349 7.374 1.879) 7.618 10.830 ( -0.168 -6.384 4.629) 7.888 10.830 ( -0.168 6.384 4.629) 7.888 10.968 ( -5.561 -4.322 2.914) 7.622 10.968 ( -5.561 4.322 2.914) 7.622 11.269 ( 2.631 -4.508 3.841) 6.480 11.269 ( 2.631 4.508 3.841) 6.480 11.452 ( 4.152 -2.233 0.246) 4.721 11.452 ( 4.152 2.233 0.246) 4.721 11.842 ( 0.622 -14.126 -1.359) 14.205 11.842 ( 0.622 14.126 -1.359) 14.205 12.117 ( -1.661 -3.525 4.333) 5.828 12.117 ( -1.661 3.525 4.333) 5.828 12.498 ( 4.901 -2.070 1.706) 5.587 12.498 ( 4.901 2.070 1.706) 5.587 12.697 ( -2.329 -3.903 -0.072) 4.546 12.697 ( -2.329 3.903 -0.072) 4.546 14.302 ( -0.037 -4.888 -3.422) 5.967 14.302 ( -0.037 4.888 -3.422) 5.967 14.625 ( -0.311 -2.156 -0.374) 2.210 14.625 ( -0.311 2.156 -0.374) 2.210 14.859 ( 2.247 -5.350 -9.217) 10.892 14.859 ( 2.247 5.350 -9.217) 10.892 14.966 ( -0.161 -4.462 -0.768) 4.531 14.966 ( -0.161 4.462 -0.768) 4.531 16.287 ( -3.391 -1.987 0.930) 4.038 16.287 ( -3.391 1.987 0.930) 4.038 16.723 ( 3.466 -1.244 -11.381) 11.961 16.723 ( 3.466 1.244 -11.381) 11.961 17.032 ( 0.249 -2.086 -3.364) 3.966 17.032 ( 0.249 2.086 -3.364) 3.966 17.203 ( 1.457 -6.400 -1.591) 6.753 17.203 ( 1.457 6.400 -1.591) 6.753 17.342 ( -1.246 -3.730 2.969) 4.928 17.342 ( -1.246 3.730 2.969) 4.928 17.517 ( -0.301 -2.464 2.325) 3.401 17.517 ( -0.301 2.464 2.325) 3.401 17.694 ( -0.921 -1.608 -1.109) 2.159 17.694 ( -0.921 1.608 -1.109) 2.159 17.836 ( 0.680 -0.486 -0.886) 1.218 17.836 ( 0.680 0.486 -0.886) 1.218 17.968 ( -1.754 -0.689 -2.735) 3.322 17.968 ( -1.754 0.689 -2.735) 3.322 18.097 ( -0.010 -8.152 1.701) 8.328 18.097 ( -0.010 8.152 1.701) 8.328 18.222 ( 2.057 -4.347 3.439) 5.913 18.222 ( 2.057 4.347 3.439) 5.913 18.338 ( 0.818 -4.045 -0.183) 4.131 18.338 ( 0.818 4.045 -0.183) 4.131 18.646 ( -2.835 -4.182 7.720) 9.227 18.646 ( -2.835 4.182 7.720) 9.227 18.808 ( -0.477 -3.513 1.960) 4.051 18.808 ( -0.477 3.513 1.960) 4.051 20.067 ( -0.645 -0.238 -0.525) 0.865 20.067 ( -0.645 0.238 -0.525) 0.865 20.078 ( 0.375 -0.073 -0.150) 0.411 20.078 ( 0.375 0.073 -0.150) 0.411 20.106 ( -0.204 -0.088 0.560) 0.603 20.106 ( -0.204 0.088 0.560) 0.603 22.133 ( 0.620 -0.434 0.093) 0.763 22.133 ( 0.620 0.434 0.093) 0.763 22.164 ( 0.501 -0.244 -0.721) 0.911 22.164 ( 0.501 0.244 -0.721) 0.911 22.201 ( -1.272 -0.215 1.013) 1.640 22.201 ( -1.272 0.215 1.013) 1.640 27.007 ( -0.203 -1.117 1.017) 1.525 27.007 ( -0.203 1.117 1.017) 1.525 27.112 ( -0.070 -0.225 0.017) 0.236 27.112 ( -0.070 0.225 0.017) 0.236 27.579 ( -0.400 -1.568 1.502) 2.207 27.579 ( -0.400 1.568 1.502) 2.207 27.660 ( -0.341 -0.089 0.734) 0.814 27.660 ( -0.341 0.089 0.734) 0.814 27.839 ( 0.794 -1.689 -1.773) 2.574 27.839 ( 0.794 1.689 -1.773) 2.574 28.046 ( 0.230 -0.419 0.254) 0.542 28.046 ( 0.230 0.419 0.254) 0.542 36.698 ( 0.956 -3.511 -4.116) 5.494 36.698 ( 0.956 3.511 -4.116) 5.494 37.009 ( -0.782 -1.885 3.530) 4.077 37.009 ( -0.782 1.885 3.530) 4.077 37.109 ( 0.278 -2.155 2.123) 3.038 37.109 ( 0.278 2.155 2.123) 3.038 37.269 ( 1.719 -3.793 9.704) 10.560 37.269 ( 1.719 3.793 9.704) 10.560 37.402 ( -1.397 -3.220 0.250) 3.519 37.402 ( -1.397 3.220 0.250) 3.519 37.996 ( -0.662 -3.146 10.316) 10.806 37.996 ( -0.662 3.146 10.316) 10.806 38.139 ( 0.167 -4.281 -1.298) 4.477 38.139 ( 0.167 4.281 -1.298) 4.477 38.696 ( -2.782 -16.442 -10.296) 19.598 38.696 ( -2.782 16.442 -10.296) 19.598 38.845 ( 0.816 -18.787 -4.926) 19.439 38.845 ( 0.816 18.787 -4.926) 19.439 40.341 ( 0.838 -7.862 3.224) 8.539 40.341 ( 0.838 7.862 3.224) 8.539 40.671 ( 1.453 -4.222 -4.457) 6.309 40.671 ( 1.453 4.222 -4.457) 6.309 41.142 ( 0.724 -3.576 -4.587) 5.861 41.142 ( 0.724 3.576 -4.587) 5.861 ======================= Grid point 77 (40/96) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 10.205 -10.282 19.511) 24.301 1.171 ( 10.205 10.282 19.511) 24.301 1.493 ( 14.027 -21.204 10.265) 27.418 1.493 ( 14.027 21.204 10.265) 27.418 2.175 ( 0.217 -0.854 -2.069) 2.249 2.175 ( 0.217 0.854 -2.069) 2.249 2.512 ( 4.441 -3.005 -4.481) 6.988 2.512 ( 4.441 3.005 -4.481) 6.988 2.790 ( 3.321 -17.912 -7.458) 19.684 2.790 ( 3.321 17.912 -7.458) 19.684 2.954 ( -1.662 -9.913 5.240) 11.336 2.954 ( -1.662 9.913 5.240) 11.336 3.093 ( -2.136 -11.657 4.644) 12.729 3.093 ( -2.136 11.657 4.644) 12.729 3.389 ( -3.886 -9.774 0.549) 10.532 3.389 ( -3.886 9.774 0.549) 10.532 3.603 ( 2.104 -3.989 6.229) 7.690 3.603 ( 2.104 3.989 6.229) 7.690 3.677 ( -0.049 -2.754 -0.992) 2.927 3.677 ( -0.049 2.754 -0.992) 2.927 3.902 ( -6.580 -4.604 1.909) 8.255 3.902 ( -6.580 4.604 1.909) 8.255 4.135 ( -0.463 -1.368 0.785) 1.644 4.135 ( -0.463 1.368 0.785) 1.644 4.286 ( 9.387 -6.270 -2.090) 11.480 4.286 ( 9.387 6.270 -2.090) 11.480 4.371 ( 2.485 -4.289 -1.132) 5.084 4.371 ( 2.485 4.289 -1.132) 5.084 4.603 ( 0.094 -0.611 0.033) 0.619 4.603 ( 0.094 0.611 0.033) 0.619 4.716 ( 4.354 -4.705 -3.648) 7.376 4.716 ( 4.354 4.705 -3.648) 7.376 4.839 ( 3.041 -3.460 -1.947) 5.001 4.839 ( 3.041 3.460 -1.947) 5.001 5.204 ( 7.587 -5.074 6.436) 11.168 5.204 ( 7.587 5.074 6.436) 11.168 5.293 ( 2.980 -3.339 -0.852) 4.556 5.293 ( 2.980 3.339 -0.852) 4.556 5.598 ( 4.226 -3.987 -0.314) 5.818 5.598 ( 4.226 3.987 -0.314) 5.818 5.743 ( 0.730 -1.125 1.270) 1.847 5.743 ( 0.730 1.125 1.270) 1.847 5.885 ( 0.268 -3.073 1.133) 3.286 5.885 ( 0.268 3.073 1.133) 3.286 6.024 ( 8.180 -8.674 1.431) 12.008 6.024 ( 8.180 8.674 1.431) 12.008 6.099 ( 5.053 -4.910 -3.590) 7.908 6.099 ( 5.053 4.910 -3.590) 7.908 6.299 ( 3.392 -3.093 -1.639) 4.875 6.299 ( 3.392 3.093 -1.639) 4.875 6.320 ( -0.607 -9.361 -0.491) 9.393 6.320 ( -0.607 9.361 -0.491) 9.393 6.690 ( 2.987 -13.199 -3.384) 13.950 6.690 ( 2.987 13.199 -3.384) 13.950 6.788 ( 1.996 -4.258 1.306) 4.881 6.788 ( 1.996 4.258 1.306) 4.881 7.040 ( 3.374 -3.986 -2.363) 5.732 7.040 ( 3.374 3.986 -2.363) 5.732 7.172 ( -5.082 -1.362 4.953) 7.226 7.172 ( -5.082 1.362 4.953) 7.226 7.247 ( 1.969 -6.254 1.011) 6.634 7.247 ( 1.969 6.254 1.011) 6.634 7.363 ( 2.888 -3.499 -6.348) 7.802 7.363 ( 2.888 3.499 -6.348) 7.802 7.578 ( 2.785 -2.523 2.633) 4.589 7.578 ( 2.785 2.523 2.633) 4.589 7.688 ( 0.288 -7.586 1.992) 7.848 7.688 ( 0.288 7.586 1.992) 7.848 7.800 ( 2.256 -5.650 -0.737) 6.128 7.800 ( 2.256 5.650 -0.737) 6.128 7.902 ( 3.224 -2.937 2.491) 5.023 7.902 ( 3.224 2.937 2.491) 5.023 8.058 ( -0.191 -3.678 -0.133) 3.685 8.058 ( -0.191 3.678 -0.133) 3.685 8.228 ( 0.498 -5.816 1.560) 6.042 8.228 ( 0.498 5.816 1.560) 6.042 8.345 ( 0.247 -11.127 -2.465) 11.399 8.345 ( 0.247 11.127 -2.465) 11.399 8.560 ( 0.470 -7.819 -8.191) 11.334 8.560 ( 0.470 7.819 -8.191) 11.334 8.668 ( -0.182 -1.002 -2.916) 3.088 8.668 ( -0.182 1.002 -2.916) 3.088 8.903 ( -1.790 -1.094 0.591) 2.179 8.903 ( -1.790 1.094 0.591) 2.179 9.001 ( 1.191 -2.896 0.366) 3.153 9.001 ( 1.191 2.896 0.366) 3.153 9.031 ( 0.804 -3.120 4.402) 5.455 9.031 ( 0.804 3.120 4.402) 5.455 9.190 ( -0.939 -3.532 -8.960) 9.677 9.190 ( -0.939 3.532 -8.960) 9.677 9.412 ( -1.971 -3.018 0.096) 3.606 9.412 ( -1.971 3.018 0.096) 3.606 9.629 ( -2.931 -4.000 -0.844) 5.030 9.629 ( -2.931 4.000 -0.844) 5.030 9.686 ( -1.654 -1.841 1.187) 2.745 9.686 ( -1.654 1.841 1.187) 2.745 9.895 ( 1.929 -5.826 -1.391) 6.293 9.895 ( 1.929 5.826 -1.391) 6.293 9.935 ( -6.045 -4.462 -2.282) 7.852 9.935 ( -6.045 4.462 -2.282) 7.852 10.213 ( -1.381 -3.516 2.905) 4.765 10.213 ( -1.381 3.516 2.905) 4.765 10.378 ( -1.662 -7.246 1.377) 7.561 10.378 ( -1.662 7.246 1.377) 7.561 10.804 ( -7.026 -4.687 4.521) 9.580 10.804 ( -7.026 4.687 4.521) 9.580 10.865 ( -6.210 -5.403 1.438) 8.356 10.865 ( -6.210 5.403 1.438) 8.356 11.294 ( -4.505 -6.084 4.965) 9.054 11.294 ( -4.505 6.084 4.965) 9.054 11.449 ( -4.045 -0.920 -1.395) 4.376 11.449 ( -4.045 0.920 -1.395) 4.376 11.822 ( -0.942 -10.209 1.145) 10.317 11.822 ( -0.942 10.209 1.145) 10.317 12.051 ( -7.073 -10.225 0.843) 12.461 12.051 ( -7.073 10.225 0.843) 12.461 12.573 ( 0.436 -3.978 -3.362) 5.227 12.573 ( 0.436 3.978 -3.362) 5.227 12.798 ( 11.776 -8.158 5.725) 15.428 12.798 ( 11.776 8.158 5.725) 15.428 14.249 ( -2.886 -3.832 -2.858) 5.584 14.249 ( -2.886 3.832 -2.858) 5.584 14.534 ( -9.383 -1.492 -7.070) 11.843 14.534 ( -9.383 1.492 -7.070) 11.843 14.748 ( -4.493 -1.519 0.622) 4.783 14.748 ( -4.493 1.519 0.622) 4.783 14.989 ( 1.784 -3.425 -0.969) 3.981 14.989 ( 1.784 3.425 -0.969) 3.981 16.248 ( -0.526 -1.531 -1.351) 2.108 16.248 ( -0.526 1.531 -1.351) 2.108 16.702 ( 3.746 -1.553 -10.491) 11.247 16.702 ( 3.746 1.553 -10.491) 11.247 17.011 ( 0.870 -1.926 -4.152) 4.659 17.011 ( 0.870 1.926 -4.152) 4.659 17.224 ( 0.042 -8.479 2.233) 8.768 17.224 ( 0.042 8.479 2.233) 8.768 17.347 ( -1.260 -5.220 4.745) 7.166 17.347 ( -1.260 5.220 4.745) 7.166 17.522 ( -0.458 -3.573 2.099) 4.169 17.522 ( -0.458 3.573 2.099) 4.169 17.658 ( -1.869 -1.577 -0.862) 2.592 17.658 ( -1.869 1.577 -0.862) 2.592 17.828 ( -0.121 -2.222 -2.658) 3.467 17.828 ( -0.121 2.222 -2.658) 3.467 17.911 ( -2.622 -0.614 -1.533) 3.099 17.911 ( -2.622 0.614 -1.533) 3.099 18.108 ( 0.475 -8.487 -0.116) 8.501 18.108 ( 0.475 8.487 -0.116) 8.501 18.268 ( -0.307 -4.978 4.663) 6.827 18.268 ( -0.307 4.978 4.663) 6.827 18.338 ( -0.453 -3.424 -0.210) 3.460 18.338 ( -0.453 3.424 -0.210) 3.460 18.623 ( -4.543 -5.068 6.694) 9.547 18.623 ( -4.543 5.068 6.694) 9.547 18.814 ( -0.604 -3.034 2.332) 3.874 18.814 ( -0.604 3.034 2.332) 3.874 20.168 ( 10.463 -0.156 0.086) 10.464 20.168 ( 10.463 0.156 0.086) 10.464 20.193 ( 10.308 -0.084 0.574) 10.325 20.193 ( 10.308 0.084 0.574) 10.325 20.323 ( 24.438 -6.329 -5.667) 25.872 20.323 ( 24.438 6.329 -5.667) 25.872 22.121 ( -2.247 -0.222 0.102) 2.260 22.121 ( -2.247 0.222 0.102) 2.260 22.145 ( -1.927 -0.352 -1.172) 2.282 22.145 ( -1.927 0.352 -1.172) 2.282 22.175 ( -2.715 -0.156 1.519) 3.115 22.175 ( -2.715 0.156 1.519) 3.115 27.013 ( -0.048 -1.223 1.159) 1.685 27.013 ( -0.048 1.223 1.159) 1.685 27.112 ( 0.144 -0.349 -0.135) 0.401 27.112 ( 0.144 0.349 -0.135) 0.401 27.578 ( -1.069 -1.393 1.647) 2.408 27.578 ( -1.069 1.393 1.647) 2.408 27.648 ( -1.453 -0.116 0.558) 1.561 27.648 ( -1.453 0.116 0.558) 1.561 27.842 ( 0.941 -1.181 -1.648) 2.235 27.842 ( 0.941 1.181 -1.648) 2.235 28.037 ( -1.509 -0.415 0.393) 1.614 28.037 ( -1.509 0.415 0.393) 1.614 36.704 ( 2.923 -3.257 -3.595) 5.664 36.704 ( 2.923 3.257 -3.595) 5.664 37.043 ( 1.396 -1.186 3.714) 4.142 37.043 ( 1.396 1.186 3.714) 4.142 37.148 ( 2.148 -1.200 3.341) 4.149 37.148 ( 2.148 1.200 3.341) 4.149 37.356 ( 2.687 -2.567 1.536) 4.021 37.356 ( 2.687 2.567 1.536) 4.021 37.433 ( 1.866 -2.840 8.488) 9.143 37.433 ( 1.866 2.840 8.488) 9.143 38.048 ( -1.155 -3.236 7.817) 8.539 38.048 ( -1.155 3.236 7.817) 8.539 38.178 ( 3.899 -2.225 2.035) 4.928 38.178 ( 3.899 2.225 2.035) 4.928 38.532 ( -5.520 -12.462 -13.225) 18.992 38.532 ( -5.520 12.462 -13.225) 18.992 38.798 ( -1.518 -18.750 -5.569) 19.619 38.798 ( -1.518 18.750 -5.569) 19.619 40.287 ( -10.485 -6.710 3.860) 13.033 40.287 ( -10.485 6.710 3.860) 13.033 40.477 ( -20.023 -8.773 -5.297) 22.493 40.477 ( -20.023 8.773 -5.297) 22.493 40.855 ( -23.925 -2.806 3.593) 24.355 40.855 ( -23.925 2.806 3.593) 24.355 ======================= Grid point 79 (41/96) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 15.486 -8.943 21.236) 27.762 1.572 ( 15.486 8.943 21.236) 27.762 1.839 ( 14.904 -13.879 12.793) 24.050 1.839 ( 14.904 13.879 12.793) 24.050 2.185 ( 3.585 -2.954 -4.804) 6.683 2.185 ( 3.585 2.954 -4.804) 6.683 2.464 ( -0.741 -2.425 -11.177) 11.461 2.464 ( -0.741 2.425 -11.177) 11.461 2.729 ( -0.889 -8.960 -10.878) 14.121 2.729 ( -0.889 8.960 -10.878) 14.121 2.955 ( -0.936 -10.087 0.650) 10.151 2.955 ( -0.936 10.087 0.650) 10.151 3.179 ( 0.045 -8.725 10.753) 13.847 3.179 ( 0.045 8.725 10.753) 13.847 3.348 ( -0.729 -12.894 3.750) 13.448 3.348 ( -0.729 12.894 3.750) 13.448 3.631 ( -1.687 -2.191 -1.518) 3.155 3.631 ( -1.687 2.191 -1.518) 3.155 3.724 ( 1.044 -4.226 3.981) 5.899 3.724 ( 1.044 4.226 3.981) 5.899 3.830 ( -0.307 -4.913 3.186) 5.864 3.830 ( -0.307 4.913 3.186) 5.864 4.102 ( -2.138 -1.712 -1.329) 3.045 4.102 ( -2.138 1.712 -1.329) 3.045 4.314 ( -1.126 -6.640 -1.506) 6.901 4.314 ( -1.126 6.640 -1.506) 6.901 4.503 ( 3.985 -3.580 -3.284) 6.283 4.503 ( 3.985 3.580 -3.284) 6.283 4.579 ( 6.831 -3.056 -4.811) 8.896 4.579 ( 6.831 3.056 -4.811) 8.896 4.809 ( 4.218 -3.159 2.235) 5.725 4.809 ( 4.218 3.159 2.235) 5.725 4.925 ( 8.366 -1.709 -1.559) 8.680 4.925 ( 8.366 1.709 -1.559) 8.680 5.349 ( 5.132 -0.419 2.383) 5.674 5.349 ( 5.132 0.419 2.383) 5.674 5.403 ( 7.924 -5.828 2.371) 10.118 5.403 ( 7.924 5.828 2.371) 10.118 5.671 ( 4.443 -2.401 -7.346) 8.915 5.671 ( 4.443 2.401 -7.346) 8.915 5.776 ( 2.226 -1.225 4.108) 4.830 5.776 ( 2.226 1.225 4.108) 4.830 5.917 ( 3.114 -4.128 3.005) 5.980 5.917 ( 3.114 4.128 3.005) 5.980 6.091 ( 0.906 -3.033 -1.889) 3.687 6.091 ( 0.906 3.033 -1.889) 3.687 6.278 ( 11.902 -6.849 0.958) 13.765 6.278 ( 11.902 6.849 0.958) 13.765 6.343 ( 3.623 -4.414 1.331) 5.864 6.343 ( 3.623 4.414 1.331) 5.864 6.389 ( 7.119 -0.536 1.286) 7.254 6.389 ( 7.119 0.536 1.286) 7.254 6.761 ( 6.276 -9.055 -1.294) 11.093 6.761 ( 6.276 9.055 -1.294) 11.093 6.845 ( 2.981 -5.253 -0.860) 6.101 6.845 ( 2.981 5.253 -0.860) 6.101 7.054 ( 2.104 -4.230 -1.636) 5.000 7.054 ( 2.104 4.230 -1.636) 5.000 7.154 ( -1.701 -5.977 3.588) 7.176 7.154 ( -1.701 5.977 3.588) 7.176 7.314 ( 5.243 -4.283 2.529) 7.227 7.314 ( 5.243 4.283 2.529) 7.227 7.399 ( 7.473 -3.914 -7.463) 11.263 7.399 ( 7.473 3.914 -7.463) 11.263 7.644 ( 1.492 -3.515 4.738) 6.085 7.644 ( 1.492 3.515 4.738) 6.085 7.727 ( 2.608 -5.804 0.443) 6.378 7.727 ( 2.608 5.804 0.443) 6.378 7.856 ( 3.635 -4.410 2.519) 6.246 7.856 ( 3.635 4.410 2.519) 6.246 7.977 ( 2.305 -1.521 2.341) 3.620 7.977 ( 2.305 1.521 2.341) 3.620 8.090 ( 3.808 -5.379 1.527) 6.765 8.090 ( 3.808 5.379 1.527) 6.765 8.192 ( -1.762 -3.438 -6.362) 7.443 8.192 ( -1.762 3.438 -6.362) 7.443 8.359 ( 1.304 -7.698 0.449) 7.821 8.359 ( 1.304 7.698 0.449) 7.821 8.532 ( 2.249 -2.847 -5.489) 6.580 8.532 ( 2.249 2.847 -5.489) 6.580 8.642 ( 0.102 -1.543 -2.611) 3.035 8.642 ( 0.102 1.543 -2.611) 3.035 8.867 ( -3.613 -2.229 0.359) 4.261 8.867 ( -3.613 2.229 0.359) 4.261 9.025 ( 1.424 -1.139 0.059) 1.825 9.025 ( 1.424 1.139 0.059) 1.825 9.048 ( -0.656 -7.388 -4.829) 8.851 9.048 ( -0.656 7.388 -4.829) 8.851 9.119 ( -1.511 -4.707 -0.458) 4.964 9.119 ( -1.511 4.707 -0.458) 4.964 9.364 ( -3.547 -2.607 0.410) 4.421 9.364 ( -3.547 2.607 0.410) 4.421 9.560 ( -3.367 -2.942 -1.364) 4.674 9.560 ( -3.367 2.942 -1.364) 4.674 9.634 ( -5.041 -2.971 1.729) 6.102 9.634 ( -5.041 2.971 1.729) 6.102 9.791 ( -7.956 -6.157 -1.302) 10.144 9.791 ( -7.956 6.157 -1.302) 10.144 9.929 ( 1.583 -3.413 -0.732) 3.832 9.929 ( 1.583 3.413 -0.732) 3.832 10.161 ( -6.481 -4.702 0.785) 8.045 10.161 ( -6.481 4.702 0.785) 8.045 10.327 ( -4.749 -5.226 1.392) 7.197 10.327 ( -4.749 5.226 1.392) 7.197 10.664 ( -10.159 -5.085 1.467) 11.455 10.664 ( -10.159 5.085 1.467) 11.455 10.781 ( -5.784 -4.425 0.791) 7.325 10.781 ( -5.784 4.425 0.791) 7.325 11.179 ( -11.022 -1.836 3.522) 11.716 11.179 ( -11.022 1.836 3.522) 11.716 11.340 ( -5.911 -3.488 -1.545) 7.035 11.340 ( -5.911 3.488 -1.545) 7.035 11.755 ( -6.768 -12.876 -4.598) 15.256 11.755 ( -6.768 12.876 -4.598) 15.256 12.002 ( -0.718 -3.599 7.894) 8.705 12.002 ( -0.718 3.599 7.894) 8.705 12.546 ( 1.026 -1.682 -4.906) 5.287 12.546 ( 1.026 1.682 -4.906) 5.287 13.019 ( 7.400 -10.162 3.372) 13.015 13.019 ( 7.400 10.162 3.372) 13.015 14.167 ( -4.421 -3.975 -2.096) 6.304 14.167 ( -4.421 3.975 -2.096) 6.304 14.290 ( -10.106 -5.389 -3.491) 11.974 14.290 ( -10.106 5.389 -3.491) 11.974 14.724 ( -1.249 -3.152 2.735) 4.356 14.724 ( -1.249 3.152 2.735) 4.356 14.997 ( 0.388 -4.157 -1.993) 4.626 14.997 ( 0.388 4.157 -1.993) 4.626 16.249 ( 1.759 -1.471 -1.721) 2.867 16.249 ( 1.759 1.471 -1.721) 2.867 16.704 ( 4.311 -2.041 -8.120) 9.417 16.704 ( 4.311 2.041 -8.120) 9.417 17.007 ( 1.749 -1.409 -3.199) 3.908 17.007 ( 1.749 1.409 -3.199) 3.908 17.234 ( -0.780 -7.766 2.604) 8.228 17.234 ( -0.780 7.766 2.604) 8.228 17.366 ( -0.934 -4.826 5.190) 7.148 17.366 ( -0.934 4.826 5.190) 7.148 17.545 ( 0.727 -2.866 3.255) 4.397 17.545 ( 0.727 2.866 3.255) 4.397 17.622 ( -1.577 -2.129 -0.789) 2.764 17.622 ( -1.577 2.129 -0.789) 2.764 17.789 ( -1.240 -3.204 -4.626) 5.762 17.789 ( -1.240 3.204 -4.626) 5.762 17.863 ( -2.020 -1.194 -0.427) 2.385 17.863 ( -2.020 1.194 -0.427) 2.385 18.109 ( 0.681 -7.177 -2.117) 7.514 18.109 ( 0.681 7.177 -2.117) 7.514 18.281 ( -2.617 -3.532 5.848) 7.316 18.281 ( -2.617 3.532 5.848) 7.316 18.332 ( 0.518 -3.123 -1.356) 3.444 18.332 ( 0.518 3.123 -1.356) 3.444 18.601 ( -3.248 -4.823 5.682) 8.130 18.601 ( -3.248 4.823 5.682) 8.130 18.819 ( -0.602 -2.228 1.984) 3.044 18.819 ( -0.602 2.228 1.984) 3.044 20.410 ( 16.560 -0.568 0.110) 16.570 20.410 ( 16.560 0.568 0.110) 16.570 20.464 ( 18.454 -1.491 3.020) 18.759 20.464 ( 18.454 1.491 3.020) 18.759 20.710 ( 25.151 -9.461 -10.785) 28.955 20.710 ( 25.151 9.461 -10.785) 28.955 22.051 ( -5.529 -0.813 -0.597) 5.620 22.051 ( -5.529 0.813 -0.597) 5.620 22.075 ( -5.052 -0.507 -1.637) 5.335 22.075 ( -5.052 0.507 -1.637) 5.335 22.132 ( -3.983 -0.716 2.830) 4.938 22.132 ( -3.983 0.716 2.830) 4.938 27.021 ( -0.099 -1.049 1.139) 1.551 27.021 ( -0.099 1.049 1.139) 1.551 27.115 ( 0.436 -0.427 -0.354) 0.705 27.115 ( 0.436 0.427 -0.354) 0.705 27.568 ( -1.461 -1.188 1.730) 2.557 27.568 ( -1.461 1.188 1.730) 2.557 27.622 ( -1.777 -0.408 0.264) 1.842 27.622 ( -1.777 0.408 0.264) 1.842 27.847 ( 0.975 -0.460 -1.555) 1.892 27.847 ( 0.975 0.460 -1.555) 1.892 28.005 ( -2.232 -0.406 0.320) 2.291 28.005 ( -2.232 0.406 0.320) 2.291 36.742 ( 4.380 -2.705 -3.658) 6.315 36.742 ( 4.380 2.705 -3.658) 6.315 37.097 ( 1.759 -0.583 2.417) 3.046 37.097 ( 1.759 0.583 2.417) 3.046 37.243 ( 4.791 -0.688 6.125) 7.807 37.243 ( 4.791 0.688 6.125) 7.807 37.410 ( 4.448 -0.329 -2.705) 5.217 37.410 ( 4.448 0.329 -2.705) 5.217 37.562 ( 3.597 -0.781 11.664) 12.231 37.562 ( 3.597 0.781 11.664) 12.231 38.077 ( -1.045 -3.637 4.409) 5.810 38.077 ( -1.045 3.637 4.409) 5.810 38.287 ( 5.038 -1.732 2.262) 5.788 38.287 ( 5.038 1.732 2.262) 5.788 38.333 ( -4.856 -6.214 -10.374) 13.031 38.333 ( -4.856 6.214 -10.374) 13.031 38.720 ( -2.253 -14.408 -5.528) 15.595 38.720 ( -2.253 14.408 -5.528) 15.595 39.944 ( -30.815 -12.207 4.866) 33.500 39.944 ( -30.815 12.207 4.866) 33.500 40.080 ( -19.170 -9.624 -1.998) 21.543 40.080 ( -19.170 9.624 -1.998) 21.543 40.482 ( -22.882 -5.821 4.323) 24.003 40.482 ( -22.882 5.821 4.323) 24.003 ======================= Grid point 81 (42/96) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 10.041 -6.839 8.197) 14.656 1.926 ( 10.041 6.839 8.197) 14.656 2.164 ( 9.837 -5.558 6.297) 12.935 2.164 ( 9.837 5.558 6.297) 12.935 2.247 ( 8.072 -2.413 -0.630) 8.449 2.247 ( 8.072 2.413 -0.630) 8.449 2.399 ( 2.874 -3.178 -4.701) 6.361 2.399 ( 2.874 3.178 -4.701) 6.361 2.664 ( -0.393 -8.389 -2.768) 8.842 2.664 ( -0.393 8.389 -2.768) 8.842 2.915 ( -3.164 -3.988 -1.139) 5.216 2.915 ( -3.164 3.988 -1.139) 5.216 3.191 ( -3.394 -2.499 3.989) 5.803 3.191 ( -3.394 2.499 3.989) 5.803 3.394 ( 0.615 -10.272 2.352) 10.556 3.394 ( 0.615 10.272 2.352) 10.556 3.538 ( -3.983 -6.559 -0.794) 7.714 3.538 ( -3.983 6.559 -0.794) 7.714 3.696 ( -6.092 -1.815 -6.387) 9.011 3.696 ( -6.092 1.815 -6.387) 9.011 3.914 ( 4.897 -5.464 3.981) 8.348 3.914 ( 4.897 5.464 3.981) 8.348 4.112 ( 3.195 -6.578 2.089) 7.605 4.112 ( 3.195 6.578 2.089) 7.605 4.266 ( -2.245 -6.072 -1.809) 6.722 4.266 ( -2.245 6.072 -1.809) 6.722 4.513 ( 2.418 -2.347 3.112) 4.587 4.513 ( 2.418 2.347 3.112) 4.587 4.732 ( 9.534 -3.412 -3.278) 10.644 4.732 ( 9.534 3.412 -3.278) 10.644 4.862 ( 0.837 -2.677 1.724) 3.293 4.862 ( 0.837 2.677 1.724) 3.293 5.095 ( 10.661 -3.402 -0.810) 11.220 5.095 ( 10.661 3.402 -0.810) 11.220 5.450 ( 3.671 -3.028 3.104) 5.681 5.450 ( 3.671 3.028 3.104) 5.681 5.539 ( 6.364 -5.433 0.121) 8.368 5.539 ( 6.364 5.433 0.121) 8.368 5.644 ( 1.221 -2.955 -10.201) 10.690 5.644 ( 1.221 2.955 -10.201) 10.690 5.843 ( 2.030 -2.805 3.139) 4.673 5.843 ( 2.030 2.805 3.139) 4.673 6.037 ( 4.724 -6.574 1.672) 8.266 6.037 ( 4.724 6.574 1.672) 8.266 6.095 ( 0.951 -1.731 3.751) 4.239 6.095 ( 0.951 1.731 3.751) 4.239 6.363 ( -0.033 -5.038 5.780) 7.667 6.363 ( -0.033 5.038 5.780) 7.667 6.476 ( 5.973 -4.489 -0.254) 7.476 6.476 ( 5.973 4.489 -0.254) 7.476 6.588 ( 12.307 -2.089 -0.649) 12.499 6.588 ( 12.307 2.089 -0.649) 12.499 6.818 ( -1.090 -7.889 -3.338) 8.635 6.818 ( -1.090 7.889 -3.338) 8.635 6.882 ( 5.572 -3.308 -0.981) 6.554 6.882 ( 5.572 3.308 -0.981) 6.554 7.152 ( 3.302 -5.813 6.125) 9.067 7.152 ( 3.302 5.813 6.125) 9.067 7.183 ( 8.531 -3.476 0.177) 9.214 7.183 ( 8.531 3.476 0.177) 9.214 7.430 ( 7.399 -4.412 -3.008) 9.125 7.430 ( 7.399 4.412 -3.008) 9.125 7.525 ( 9.297 -3.869 -1.396) 10.167 7.525 ( 9.297 3.869 -1.396) 10.167 7.711 ( 1.543 -5.095 4.018) 6.670 7.711 ( 1.543 5.095 4.018) 6.670 7.764 ( 3.305 -4.257 -1.252) 5.533 7.764 ( 3.305 4.257 -1.252) 5.533 7.964 ( 4.169 -7.408 0.678) 8.527 7.964 ( 4.169 7.408 0.678) 8.527 8.002 ( 0.450 -3.090 1.292) 3.379 8.002 ( 0.450 3.090 1.292) 3.380 8.128 ( 1.677 -4.409 -4.353) 6.419 8.128 ( 1.677 4.409 -4.353) 6.419 8.204 ( 5.025 -4.464 3.922) 7.782 8.204 ( 5.025 4.464 3.922) 7.782 8.384 ( 2.207 -4.107 0.138) 4.665 8.384 ( 2.207 4.107 0.138) 4.665 8.531 ( 0.317 -0.533 -2.377) 2.457 8.531 ( 0.317 0.533 -2.377) 2.457 8.642 ( 0.284 -2.782 -1.229) 3.055 8.642 ( 0.284 2.782 -1.229) 3.055 8.774 ( -5.295 -3.421 -3.037) 6.997 8.774 ( -5.295 3.421 -3.037) 6.997 8.946 ( -3.775 -6.584 -3.034) 8.174 8.946 ( -3.775 6.584 -3.034) 8.174 9.070 ( 0.282 -3.765 1.923) 4.237 9.070 ( 0.282 3.765 1.923) 4.237 9.105 ( -0.092 -7.379 -0.095) 7.381 9.105 ( -0.092 7.379 -0.095) 7.381 9.295 ( -3.713 -1.976 -1.904) 4.617 9.295 ( -3.713 1.976 -1.904) 4.617 9.499 ( -2.841 -1.845 -0.849) 3.492 9.499 ( -2.841 1.845 -0.849) 3.492 9.553 ( -5.341 -3.630 0.266) 6.463 9.553 ( -5.341 3.630 0.266) 6.463 9.660 ( -6.037 -5.262 2.957) 8.537 9.660 ( -6.037 5.262 2.957) 8.537 9.890 ( -6.906 -2.015 -1.859) 7.431 9.890 ( -6.906 2.015 -1.859) 7.431 10.030 ( -5.819 -3.614 -1.057) 6.931 10.030 ( -5.819 3.614 -1.057) 6.931 10.246 ( -5.853 -3.137 0.969) 6.711 10.246 ( -5.853 3.137 0.969) 6.711 10.517 ( -7.236 -1.971 2.983) 8.072 10.517 ( -7.236 1.971 2.983) 8.072 10.633 ( -10.052 -5.995 -2.729) 12.017 10.633 ( -10.052 5.995 -2.729) 12.017 11.015 ( -7.629 -2.784 -2.750) 8.574 11.015 ( -7.629 2.784 -2.750) 8.574 11.242 ( -4.760 -3.897 2.323) 6.575 11.242 ( -4.760 3.897 2.323) 6.575 11.589 ( -6.822 -7.478 -4.636) 11.134 11.589 ( -6.822 7.478 -4.636) 11.134 12.062 ( -0.232 -5.380 6.260) 8.257 12.062 ( -0.232 5.380 6.260) 8.257 12.549 ( 2.612 -1.357 -2.430) 3.817 12.549 ( 2.612 1.357 -2.430) 3.817 13.086 ( -0.263 -10.860 -0.313) 10.868 13.086 ( -0.263 10.860 -0.313) 10.868 14.081 ( -3.722 -0.362 1.107) 3.900 14.081 ( -3.722 0.362 1.107) 3.900 14.168 ( -3.073 -2.781 -1.263) 4.333 14.168 ( -3.073 2.781 -1.263) 4.333 14.726 ( -0.431 -3.606 1.464) 3.915 14.726 ( -0.431 3.606 1.464) 3.915 14.975 ( -0.670 -4.329 -2.897) 5.252 14.975 ( -0.670 4.329 -2.897) 5.252 16.277 ( 2.345 -1.393 -1.066) 2.928 16.277 ( 2.345 1.393 -1.066) 2.928 16.728 ( 4.124 -1.553 -5.655) 7.169 16.728 ( 4.124 1.553 -5.655) 7.169 17.022 ( 2.126 -0.491 -2.165) 3.074 17.022 ( 2.126 0.491 -2.165) 3.074 17.239 ( -0.636 -5.337 2.482) 5.920 17.239 ( -0.636 5.337 2.482) 5.920 17.387 ( -0.884 -2.959 4.405) 5.379 17.387 ( -0.884 2.959 4.405) 5.379 17.582 ( 0.148 -1.887 0.955) 2.120 17.582 ( 0.148 1.887 0.955) 2.120 17.600 ( -0.237 -4.213 2.797) 5.062 17.600 ( -0.237 4.213 2.797) 5.062 17.726 ( -1.910 -3.404 -4.235) 5.759 17.726 ( -1.910 3.404 -4.235) 5.759 17.831 ( -0.519 -1.117 -1.961) 2.316 17.831 ( -0.519 1.117 -1.961) 2.316 18.102 ( 0.563 -5.523 -2.922) 6.273 18.102 ( 0.563 5.523 -2.922) 6.273 18.268 ( -3.054 -3.030 4.338) 6.109 18.268 ( -3.054 3.030 4.338) 6.109 18.332 ( 0.616 -2.501 -1.377) 2.920 18.332 ( 0.616 2.501 -1.377) 2.920 18.591 ( -2.584 -4.805 4.999) 7.400 18.591 ( -2.584 4.805 4.999) 7.400 18.821 ( -0.555 -1.570 1.197) 2.051 18.821 ( -0.555 1.570 1.197) 2.051 20.731 ( 19.481 -0.666 0.011) 19.493 20.731 ( 19.481 0.666 0.011) 19.493 20.851 ( 21.031 -2.943 5.751) 22.001 20.851 ( 21.031 2.943 5.751) 22.001 21.032 ( 21.027 -7.792 -10.939) 24.950 21.032 ( 21.027 7.792 -10.939) 24.950 21.917 ( -9.000 -1.524 -1.571) 9.262 21.917 ( -9.000 1.524 -1.571) 9.262 21.941 ( -8.792 -0.981 -1.778) 9.023 21.941 ( -8.792 0.981 -1.778) 9.023 22.076 ( -5.465 -1.953 4.247) 7.191 22.076 ( -5.465 1.953 4.247) 7.191 27.026 ( -0.279 -0.690 0.958) 1.213 27.026 ( -0.279 0.690 0.958) 1.213 27.121 ( 0.615 -0.395 -0.554) 0.917 27.121 ( 0.615 0.395 -0.554) 0.917 27.555 ( -1.467 -0.972 1.707) 2.451 27.555 ( -1.467 0.972 1.707) 2.451 27.595 ( -1.353 -0.792 0.153) 1.575 27.595 ( -1.353 0.792 0.153) 1.575 27.852 ( 0.964 -0.251 -1.448) 1.757 27.852 ( 0.964 0.251 -1.448) 1.757 27.968 ( -2.056 -0.453 -0.012) 2.105 27.968 ( -2.056 0.453 -0.012) 2.105 36.798 ( 5.137 -2.065 -4.067) 6.870 36.798 ( 5.137 2.065 -4.067) 6.870 37.136 ( 0.915 -0.934 1.767) 2.198 37.136 ( 0.915 0.934 1.767) 2.198 37.390 ( 5.613 -1.342 6.738) 8.872 37.390 ( 5.613 1.342 6.738) 8.872 37.467 ( 4.331 -2.238 -3.473) 5.986 37.467 ( 4.331 2.238 -3.473) 5.986 37.719 ( 4.084 -1.474 10.479) 11.343 37.719 ( 4.084 1.474 10.479) 11.343 38.039 ( -2.434 -4.689 -5.513) 7.635 38.039 ( -2.434 4.689 -5.513) 7.635 38.214 ( -1.236 -3.981 0.999) 4.287 38.214 ( -1.236 3.981 0.999) 4.287 38.442 ( 7.808 -3.028 2.509) 8.742 38.442 ( 7.808 3.028 2.509) 8.742 38.655 ( -0.279 -6.329 -4.369) 7.695 38.655 ( -0.279 6.329 -4.369) 7.695 39.474 ( -25.678 -11.032 4.273) 28.273 39.474 ( -25.678 11.032 4.273) 28.273 39.676 ( -23.784 -1.766 -3.640) 24.126 39.676 ( -23.784 1.766 -3.640) 24.126 40.110 ( -22.196 -6.144 2.183) 23.134 40.110 ( -22.196 6.144 2.183) 23.134 ======================= Grid point 83 (43/96) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 3.914 -2.435 -4.641) 6.541 2.046 ( 3.914 2.435 -4.641) 6.541 2.218 ( 3.492 -4.932 -7.735) 9.815 2.218 ( 3.492 4.932 -7.735) 9.815 2.416 ( 4.893 -1.236 -0.533) 5.075 2.416 ( 4.893 1.236 -0.533) 5.075 2.515 ( 5.308 -4.823 5.921) 9.300 2.515 ( 5.308 4.823 5.921) 9.300 2.635 ( -2.015 -5.247 -0.254) 5.626 2.635 ( -2.015 5.247 -0.254) 5.626 2.892 ( -1.375 -2.817 5.523) 6.350 2.892 ( -1.375 2.817 5.523) 6.350 3.138 ( -4.681 -2.524 3.574) 6.407 3.138 ( -4.681 2.524 3.574) 6.407 3.332 ( -3.853 -5.150 -7.097) 9.578 3.332 ( -3.853 5.150 -7.097) 9.578 3.492 ( -4.226 -6.475 -4.120) 8.761 3.492 ( -4.226 6.475 -4.120) 8.761 3.604 ( 3.920 -11.432 3.813) 12.672 3.604 ( 3.920 11.432 3.813) 12.672 3.996 ( 0.795 -3.646 0.408) 3.754 3.996 ( 0.795 3.646 0.408) 3.754 4.123 ( 1.750 -1.013 -2.958) 3.583 4.123 ( 1.750 1.013 -2.958) 3.583 4.304 ( 1.685 -13.307 6.364) 14.846 4.304 ( 1.685 13.307 6.364) 14.846 4.600 ( 1.764 -1.056 5.841) 6.192 4.600 ( 1.764 1.056 5.841) 6.192 4.824 ( 2.266 -2.834 -0.885) 3.735 4.824 ( 2.266 2.835 -0.885) 3.735 4.909 ( 4.557 -3.743 1.274) 6.034 4.909 ( 4.557 3.743 1.274) 6.034 5.245 ( 6.884 -2.139 -2.129) 7.516 5.245 ( 6.884 2.139 -2.129) 7.516 5.496 ( -2.007 -2.977 3.062) 4.718 5.496 ( -2.007 2.977 3.062) 4.718 5.607 ( 4.958 -4.798 -7.272) 10.024 5.607 ( 4.958 4.798 -7.272) 10.024 5.648 ( 4.986 -1.467 0.103) 5.198 5.648 ( 4.986 1.467 0.103) 5.198 5.878 ( -0.744 -2.561 2.191) 3.451 5.878 ( -0.744 2.561 2.191) 3.451 6.059 ( -0.873 -2.696 1.981) 3.458 6.059 ( -0.873 2.696 1.981) 3.458 6.172 ( 2.080 -3.173 1.581) 4.111 6.172 ( 2.080 3.173 1.581) 4.111 6.383 ( -2.818 -7.039 1.829) 7.799 6.383 ( -2.818 7.039 1.829) 7.799 6.549 ( 3.272 -2.763 1.856) 4.667 6.549 ( 3.272 2.763 1.856) 4.667 6.703 ( 1.799 -8.445 -2.071) 8.879 6.703 ( 1.799 8.445 -2.071) 8.879 6.772 ( 0.402 -5.339 -3.509) 6.401 6.772 ( 0.402 5.339 -3.509) 6.401 6.977 ( 4.050 -1.747 4.448) 6.264 6.977 ( 4.050 1.747 4.448) 6.264 7.274 ( 8.945 -3.171 -1.026) 9.546 7.274 ( 8.945 3.171 -1.026) 9.546 7.391 ( 6.498 -1.668 4.418) 8.033 7.391 ( 6.498 1.668 4.418) 8.033 7.527 ( 8.044 -1.862 -3.121) 8.827 7.527 ( 8.044 1.862 -3.121) 8.827 7.632 ( 0.369 -5.886 1.786) 6.162 7.632 ( 0.369 5.886 1.786) 6.162 7.738 ( -1.877 -3.467 1.799) 4.334 7.738 ( -1.877 3.467 1.799) 4.334 7.852 ( 8.556 -2.416 -1.440) 9.006 7.852 ( 8.556 2.416 -1.440) 9.006 7.958 ( 1.752 -1.378 -5.365) 5.810 7.958 ( 1.752 1.378 -5.365) 5.810 8.021 ( 2.361 -1.233 -3.515) 4.410 8.021 ( 2.361 1.233 -3.515) 4.410 8.211 ( 3.848 -0.888 3.094) 5.017 8.211 ( 3.848 0.888 3.094) 5.017 8.309 ( 4.024 -0.730 5.485) 6.842 8.309 ( 4.024 0.730 5.485) 6.842 8.462 ( 1.309 -2.167 0.775) 2.648 8.462 ( 1.309 2.167 0.775) 2.648 8.496 ( -0.546 -4.988 -0.241) 5.024 8.496 ( -0.546 4.988 -0.241) 5.024 8.580 ( -3.263 -1.505 -3.050) 4.714 8.580 ( -3.263 1.505 -3.050) 4.714 8.685 ( -2.828 -1.901 0.037) 3.408 8.685 ( -2.828 1.901 0.037) 3.408 8.911 ( -1.473 -4.177 3.949) 5.934 8.911 ( -1.473 4.177 3.949) 5.934 9.036 ( -3.996 -1.520 1.417) 4.504 9.036 ( -3.996 1.520 1.417) 4.504 9.139 ( 3.378 -5.730 -1.628) 6.848 9.139 ( 3.378 5.730 -1.628) 6.848 9.215 ( -2.234 -1.660 -3.705) 4.634 9.215 ( -2.234 1.660 -3.705) 4.634 9.422 ( -3.850 -2.837 -3.487) 5.918 9.422 ( -3.850 2.837 -3.487) 5.918 9.474 ( -3.335 -4.263 2.758) 6.075 9.474 ( -3.335 4.263 2.758) 6.075 9.620 ( -5.908 -4.439 1.222) 7.490 9.620 ( -5.908 4.439 1.222) 7.490 9.744 ( -3.062 -2.295 3.252) 5.022 9.744 ( -3.062 2.295 3.252) 5.022 9.941 ( -3.967 -3.733 -2.441) 5.969 9.941 ( -3.967 3.733 -2.441) 5.969 10.150 ( -3.499 -3.373 -1.242) 5.016 10.150 ( -3.499 3.373 -1.242) 5.016 10.378 ( -10.183 -4.037 -4.869) 11.988 10.378 ( -10.183 4.037 -4.869) 11.988 10.516 ( -2.128 -4.047 5.884) 7.452 10.516 ( -2.128 4.047 5.884) 7.452 10.868 ( -4.136 -1.701 -7.951) 9.123 10.868 ( -4.136 1.701 -7.951) 9.123 11.217 ( -0.821 -6.591 3.179) 7.364 11.217 ( -0.821 6.591 3.179) 7.364 11.466 ( -3.699 -5.113 -3.189) 7.071 11.466 ( -3.699 5.113 -3.189) 7.071 12.058 ( -2.937 -5.958 -0.050) 6.643 12.058 ( -2.937 5.958 -0.050) 6.643 12.601 ( 3.076 -1.500 2.187) 4.061 12.601 ( 3.076 1.500 2.187) 4.061 13.054 ( -1.593 -10.792 -0.641) 10.928 13.054 ( -1.593 10.792 -0.641) 10.928 14.048 ( -2.829 -6.780 2.884) 7.892 14.048 ( -2.829 6.780 2.884) 7.892 14.138 ( 0.555 -5.826 -1.033) 5.943 14.138 ( 0.555 5.826 -1.033) 5.943 14.726 ( -0.299 -3.006 -0.294) 3.035 14.726 ( -0.299 3.006 -0.294) 3.035 14.941 ( -0.260 -3.132 -3.281) 4.543 14.941 ( -0.260 3.132 -3.281) 4.543 16.310 ( 1.750 -0.949 0.049) 1.991 16.310 ( 1.750 0.949 0.049) 1.991 16.759 ( 3.234 -0.962 -3.642) 4.965 16.759 ( 3.234 0.962 -3.642) 4.965 17.044 ( 1.805 -0.564 -1.548) 2.444 17.044 ( 1.805 0.564 -1.548) 2.444 17.251 ( -0.327 -2.514 2.878) 3.836 17.251 ( -0.327 2.514 2.878) 3.836 17.396 ( -1.145 -1.385 2.847) 3.367 17.396 ( -1.145 1.385 2.847) 3.367 17.571 ( -0.621 -2.359 -0.322) 2.461 17.571 ( -0.621 2.359 -0.322) 2.461 17.641 ( 0.604 -0.842 1.916) 2.178 17.641 ( 0.604 0.842 1.916) 2.178 17.668 ( -1.639 -2.797 -0.370) 3.263 17.668 ( -1.639 2.797 -0.370) 3.263 17.820 ( 1.487 -0.498 -2.975) 3.363 17.820 ( 1.487 0.498 -2.975) 3.363 18.086 ( -0.075 -4.441 -2.423) 5.059 18.086 ( -0.075 4.441 -2.423) 5.059 18.239 ( -2.758 -5.205 1.420) 6.059 18.239 ( -2.758 5.205 1.420) 6.059 18.333 ( 0.804 -2.250 -1.462) 2.801 18.333 ( 0.804 2.250 -1.462) 2.801 18.583 ( -2.486 -4.637 4.683) 7.044 18.583 ( -2.486 4.637 4.683) 7.044 18.818 ( -0.518 -1.105 0.391) 1.281 18.818 ( -0.518 1.105 0.391) 1.281 21.072 ( 18.912 -0.236 0.022) 18.913 21.072 ( 18.912 0.236 0.022) 18.913 21.251 ( 18.018 -3.676 6.512) 19.508 21.251 ( 18.018 3.676 6.512) 19.508 21.287 ( 16.155 -5.066 -7.736) 18.615 21.287 ( 16.155 5.066 -7.736) 18.615 21.713 ( -12.159 -2.064 -2.784) 12.643 21.713 ( -12.159 2.064 -2.784) 12.643 21.747 ( -11.281 -1.906 -1.663) 11.561 21.747 ( -11.281 1.906 -1.663) 11.561 22.004 ( -6.945 -4.143 5.577) 9.823 22.004 ( -6.945 4.143 5.577) 9.823 27.026 ( -0.398 -0.373 0.762) 0.936 27.026 ( -0.398 0.373 0.762) 0.936 27.127 ( 0.579 -0.220 -0.686) 0.924 27.127 ( 0.579 0.220 -0.686) 0.924 27.543 ( -1.209 -0.757 1.460) 2.042 27.543 ( -1.209 0.757 1.460) 2.042 27.580 ( -0.586 -0.951 0.499) 1.223 27.580 ( -0.586 0.951 0.499) 1.223 27.859 ( 0.930 -0.538 -1.173) 1.591 27.859 ( 0.930 0.538 -1.173) 1.591 27.935 ( -1.333 -0.538 -0.578) 1.549 27.935 ( -1.333 0.538 -0.578) 1.549 36.857 ( 4.989 -1.537 -4.335) 6.786 36.857 ( 4.989 1.537 -4.335) 6.786 37.150 ( -0.821 -2.004 1.500) 2.635 37.150 ( -0.821 2.004 1.500) 2.635 37.473 ( 1.262 -1.442 -4.199) 4.616 37.473 ( 1.262 1.442 -4.199) 4.616 37.519 ( 2.449 -5.041 0.264) 5.610 37.519 ( 2.449 5.041 0.264) 5.610 37.793 ( -3.012 -3.023 8.401) 9.422 37.793 ( -3.012 3.023 8.401) 9.422 38.049 ( 6.820 -2.016 -0.941) 7.174 38.049 ( 6.820 2.016 -0.941) 7.174 38.248 ( 2.230 -6.334 3.714) 7.673 38.248 ( 2.230 6.334 3.714) 7.673 38.553 ( 1.654 -3.320 2.645) 4.556 38.553 ( 1.654 3.320 2.645) 4.556 38.686 ( 6.412 -5.245 -2.056) 8.535 38.686 ( 6.412 5.245 -2.056) 8.535 39.120 ( -15.884 -5.513 -0.028) 16.813 39.120 ( -15.884 5.513 -0.028) 16.813 39.268 ( -16.718 -6.160 -3.463) 18.150 39.268 ( -16.718 6.160 -3.463) 18.150 39.753 ( -18.424 -5.078 -0.786) 19.127 39.753 ( -18.424 5.078 -0.786) 19.127 ======================= Grid point 85 (44/96) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -1.580 -3.687 -6.072) 7.277 2.029 ( -1.580 3.687 -6.072) 7.277 2.184 ( -3.354 -1.860 -10.705) 11.371 2.184 ( -3.354 1.860 -10.705) 11.371 2.369 ( -1.084 -6.289 -5.251) 8.264 2.369 ( -1.084 6.289 -5.251) 8.264 2.590 ( -1.773 -6.334 6.712) 9.398 2.590 ( -1.773 6.334 6.712) 9.398 2.670 ( 5.190 -2.278 -3.066) 6.444 2.670 ( 5.190 2.278 -3.066) 6.444 2.843 ( -7.490 -3.994 1.841) 8.685 2.843 ( -7.490 3.994 1.841) 8.685 3.046 ( -5.394 -5.898 0.953) 8.049 3.046 ( -5.394 5.898 0.953) 8.049 3.315 ( 5.294 -3.084 -2.417) 6.586 3.315 ( 5.294 3.084 -2.417) 6.586 3.483 ( 2.680 -5.076 0.630) 5.775 3.483 ( 2.680 5.076 0.630) 5.775 3.712 ( 3.667 -6.243 6.987) 10.062 3.712 ( 3.667 6.243 6.987) 10.062 3.978 ( -1.007 -1.889 -1.231) 2.470 3.978 ( -1.007 1.889 -1.231) 2.470 4.184 ( 3.826 -2.053 1.357) 4.550 4.184 ( 3.826 2.053 1.357) 4.550 4.328 ( -2.495 -10.947 3.156) 11.663 4.328 ( -2.495 10.947 3.156) 11.663 4.611 ( -3.332 -2.050 1.047) 4.050 4.611 ( -3.332 2.050 1.047) 4.050 4.856 ( 0.491 -3.579 3.596) 5.097 4.856 ( 0.491 3.579 3.596) 5.097 4.997 ( 2.543 -3.789 2.914) 5.415 4.997 ( 2.543 3.789 2.914) 5.415 5.294 ( 1.558 -1.882 -3.817) 4.532 5.294 ( 1.558 1.882 -3.817) 4.532 5.450 ( -3.626 -1.442 0.756) 3.975 5.450 ( -3.626 1.442 0.756) 3.975 5.678 ( 2.800 -3.428 0.231) 4.432 5.678 ( 2.800 3.428 0.231) 4.432 5.715 ( 2.719 -3.163 1.484) 4.427 5.715 ( 2.719 3.163 1.484) 4.427 5.874 ( 0.614 -2.666 0.088) 2.738 5.874 ( 0.614 2.666 0.088) 2.738 6.023 ( -3.952 -4.468 -2.534) 6.481 6.023 ( -3.952 4.468 -2.534) 6.481 6.181 ( -3.351 -6.278 1.525) 7.278 6.181 ( -3.351 6.278 1.525) 7.278 6.307 ( -3.789 -5.935 1.331) 7.166 6.307 ( -3.789 5.935 1.331) 7.166 6.603 ( 1.463 -7.993 0.057) 8.126 6.603 ( 1.463 7.993 0.057) 8.126 6.712 ( 1.454 -5.496 -2.715) 6.300 6.712 ( 1.454 5.496 -2.715) 6.300 6.785 ( 2.906 -0.567 3.056) 4.255 6.785 ( 2.906 0.567 3.056) 4.255 7.084 ( 1.117 -3.484 7.089) 7.977 7.084 ( 1.117 3.484 7.089) 7.977 7.316 ( -0.573 -1.721 -8.446) 8.639 7.316 ( -0.573 1.721 -8.446) 8.639 7.440 ( -4.831 -2.777 1.145) 5.689 7.440 ( -4.831 2.777 1.145) 5.689 7.551 ( -6.316 -2.845 -1.941) 7.194 7.551 ( -6.316 2.845 -1.941) 7.194 7.606 ( -1.725 -5.933 1.549) 6.370 7.606 ( -1.725 5.933 1.549) 6.370 7.723 ( 1.646 -5.079 1.391) 5.517 7.723 ( 1.646 5.079 1.391) 5.517 7.874 ( -0.572 -3.254 -4.696) 5.742 7.874 ( -0.572 3.254 -4.696) 5.742 8.054 ( 3.097 -1.150 -1.156) 3.500 8.054 ( 3.097 1.150 -1.156) 3.500 8.124 ( 9.661 -0.538 -0.913) 9.719 8.124 ( 9.661 0.538 -0.913) 9.719 8.240 ( -1.898 -3.438 1.770) 4.308 8.240 ( -1.898 3.438 1.770) 4.308 8.333 ( -3.596 -3.498 0.250) 5.023 8.333 ( -3.596 3.498 0.250) 5.023 8.402 ( 1.626 -6.052 -1.389) 6.418 8.402 ( 1.626 6.052 -1.389) 6.418 8.560 ( 3.272 -3.913 4.971) 7.122 8.560 ( 3.272 3.913 4.971) 7.122 8.593 ( 1.158 -3.462 2.477) 4.412 8.593 ( 1.158 3.462 2.477) 4.412 8.684 ( 1.164 -2.919 3.340) 4.586 8.684 ( 1.164 2.919 3.340) 4.586 8.851 ( -7.454 -1.448 1.675) 7.776 8.851 ( -7.454 1.448 1.675) 7.776 9.029 ( 1.619 -4.764 1.117) 5.154 9.029 ( 1.619 4.764 1.117) 5.154 9.145 ( -0.181 -4.592 -2.594) 5.277 9.145 ( -0.181 4.592 -2.594) 5.277 9.209 ( 2.658 -1.121 -2.034) 3.530 9.209 ( 2.658 1.121 -2.034) 3.530 9.371 ( 0.160 -6.276 0.724) 6.320 9.371 ( 0.160 6.276 0.724) 6.320 9.466 ( 0.232 -1.646 -0.798) 1.844 9.466 ( 0.232 1.646 -0.798) 1.844 9.528 ( -0.254 -2.696 2.106) 3.431 9.528 ( -0.254 2.696 2.106) 3.431 9.797 ( -1.021 -2.954 3.624) 4.785 9.797 ( -1.021 2.954 3.624) 4.785 9.882 ( 1.718 -3.668 0.729) 4.115 9.882 ( 1.718 3.668 0.729) 4.115 10.123 ( -0.721 -2.133 -2.571) 3.417 10.123 ( -0.721 2.133 -2.571) 3.417 10.211 ( 0.538 -1.731 -7.041) 7.271 10.211 ( 0.538 1.731 -7.041) 7.271 10.547 ( -0.124 -5.072 5.629) 7.579 10.547 ( -0.124 5.072 5.629) 7.579 10.774 ( 0.763 -2.393 -8.755) 9.108 10.774 ( 0.763 2.393 -8.755) 9.108 11.237 ( 0.641 -7.596 0.429) 7.635 11.237 ( 0.641 7.596 0.429) 7.635 11.424 ( 1.175 -4.265 -0.291) 4.434 11.424 ( 1.175 4.265 -0.291) 4.434 11.974 ( -3.791 -4.016 -5.077) 7.501 11.974 ( -3.791 4.016 -5.077) 7.501 12.673 ( 1.422 -1.172 5.398) 5.704 12.673 ( 1.422 1.172 5.398) 5.704 13.047 ( 0.877 -8.708 0.157) 8.754 13.047 ( 0.877 8.708 0.157) 8.754 14.010 ( -2.829 -5.371 1.101) 6.169 14.010 ( -2.829 5.371 1.101) 6.169 14.164 ( 2.148 -6.215 0.846) 6.630 14.164 ( 2.148 6.215 0.846) 6.630 14.705 ( -1.183 -2.302 -1.934) 3.231 14.705 ( -1.183 2.302 -1.934) 3.231 14.928 ( 1.652 -2.628 -3.234) 4.483 14.928 ( 1.652 2.628 -3.234) 4.483 16.336 ( 0.531 -0.329 1.465) 1.593 16.336 ( 0.531 0.329 1.465) 1.593 16.783 ( 2.055 -0.884 -2.628) 3.451 16.783 ( 2.055 0.884 -2.628) 3.451 17.059 ( 1.132 -1.160 -1.226) 2.032 17.059 ( 1.132 1.160 -1.226) 2.032 17.268 ( -0.377 -1.212 3.134) 3.381 17.268 ( -0.377 1.212 3.134) 3.381 17.392 ( -1.131 -1.115 1.676) 2.309 17.392 ( -1.131 1.115 1.676) 2.309 17.554 ( -1.761 -3.187 0.649) 3.699 17.554 ( -1.761 3.187 0.649) 3.699 17.604 ( -0.324 -1.502 -4.417) 4.677 17.604 ( -0.324 1.502 -4.417) 4.677 17.712 ( 1.752 -2.624 4.960) 5.878 17.712 ( 1.752 2.624 4.960) 5.878 17.836 ( 2.093 -1.775 -1.654) 3.204 17.836 ( 2.093 1.775 -1.654) 3.204 18.067 ( -0.276 -3.632 -1.536) 3.953 18.067 ( -0.276 3.632 -1.536) 3.953 18.193 ( -2.666 -6.562 -0.832) 7.131 18.193 ( -2.666 6.562 -0.832) 7.131 18.339 ( 1.585 -1.631 -2.748) 3.567 18.339 ( 1.585 1.631 -2.748) 3.567 18.571 ( -2.822 -4.089 4.764) 6.883 18.571 ( -2.822 4.089 4.764) 6.883 18.809 ( -0.487 -0.717 -0.149) 0.879 18.809 ( -0.487 0.717 -0.149) 0.879 21.345 ( -3.971 -1.134 -0.101) 4.131 21.345 ( -3.971 1.134 -0.101) 4.131 21.384 ( 7.899 -0.529 -0.211) 7.919 21.384 ( 7.899 0.529 -0.211) 7.919 21.402 ( -12.206 -0.547 -1.817) 12.353 21.402 ( -12.206 0.547 -1.817) 12.353 21.606 ( 9.150 -1.554 -5.521) 10.799 21.606 ( 9.150 1.554 -5.521) 10.799 21.658 ( 9.382 -2.753 4.690) 10.844 21.658 ( 9.382 2.753 4.690) 10.844 21.920 ( -7.243 -7.216 6.153) 11.933 21.920 ( -7.243 7.216 6.153) 11.933 27.024 ( -0.431 -0.390 0.664) 0.883 27.024 ( -0.431 0.390 0.664) 0.883 27.130 ( 0.356 -0.039 -0.724) 0.807 27.130 ( 0.356 0.039 -0.724) 0.807 27.535 ( -0.758 -0.656 1.283) 1.629 27.535 ( -0.758 0.656 1.283) 1.629 27.581 ( 0.044 -0.876 0.848) 1.220 27.581 ( 0.044 0.876 0.848) 1.220 27.867 ( 0.622 -0.626 -0.716) 1.137 27.867 ( 0.622 0.626 -0.716) 1.137 27.915 ( -0.097 -0.567 -1.276) 1.400 27.915 ( -0.097 0.567 -1.276) 1.400 36.904 ( 3.589 -1.147 -3.655) 5.249 36.904 ( 3.589 1.147 -3.655) 5.249 37.130 ( -2.273 -3.232 0.511) 3.984 37.130 ( -2.273 3.232 0.511) 3.984 37.407 ( -3.914 -4.062 -5.646) 7.981 37.407 ( -3.914 4.062 -5.646) 7.981 37.491 ( -2.053 -6.366 -7.087) 9.746 37.491 ( -2.053 6.366 -7.087) 9.746 37.819 ( -3.583 -1.462 10.646) 11.327 37.819 ( -3.583 1.462 10.646) 11.327 38.144 ( 3.217 -4.250 2.073) 5.719 38.144 ( 3.217 4.250 2.073) 5.719 38.319 ( 0.692 -10.999 4.322) 11.838 38.319 ( 0.692 10.999 4.322) 11.838 38.564 ( -3.523 -2.430 2.886) 5.162 38.564 ( -3.523 2.430 2.886) 5.162 38.730 ( 0.215 -10.703 -3.000) 11.117 38.730 ( 0.215 10.703 -3.000) 11.117 38.988 ( 0.293 -2.057 1.893) 2.811 38.988 ( 0.293 2.057 1.893) 2.811 39.136 ( 4.822 -3.797 -3.045) 6.851 39.136 ( 4.822 3.797 -3.045) 6.851 39.515 ( -3.142 -4.704 -5.027) 7.568 39.515 ( -3.142 4.704 -5.027) 7.568 ======================= Grid point 87 (45/96) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -15.819 -4.609 -7.195) 17.979 1.820 ( -15.819 4.609 -7.195) 17.979 2.028 ( -5.978 -6.705 -7.260) 11.550 2.028 ( -5.978 6.705 -7.260) 11.550 2.297 ( -5.063 -3.508 -2.586) 6.680 2.297 ( -5.063 3.508 -2.586) 6.680 2.639 ( 2.702 -5.670 2.292) 6.686 2.639 ( 2.702 5.670 2.292) 6.686 2.667 ( 1.648 -4.224 -5.777) 7.344 2.667 ( 1.648 4.224 -5.777) 7.344 2.808 ( 3.734 -1.286 1.699) 4.299 2.808 ( 3.734 1.286 1.699) 4.299 3.008 ( -1.835 -3.339 1.703) 4.173 3.008 ( -1.835 3.339 1.703) 4.173 3.396 ( 4.969 -5.901 -2.775) 8.198 3.396 ( 4.969 5.901 -2.775) 8.198 3.498 ( -2.317 -6.676 3.823) 8.034 3.498 ( -2.317 6.676 3.823) 8.034 3.849 ( -0.667 -7.953 1.648) 8.149 3.849 ( -0.667 7.953 1.648) 8.149 3.909 ( -0.734 -2.084 0.552) 2.278 3.909 ( -0.734 2.084 0.552) 2.278 4.198 ( -4.519 -8.324 3.289) 10.026 4.198 ( -4.519 8.324 3.289) 10.026 4.348 ( 2.588 -4.654 2.564) 5.910 4.348 ( 2.588 4.654 2.564) 5.910 4.554 ( -0.426 -1.804 -2.333) 2.980 4.554 ( -0.426 1.804 -2.333) 2.980 4.865 ( -3.049 -3.026 4.411) 6.157 4.865 ( -3.049 3.026 4.411) 6.157 5.021 ( -3.552 -3.331 4.872) 6.888 5.021 ( -3.552 3.331 4.872) 6.888 5.252 ( -3.991 -1.956 -1.922) 4.843 5.252 ( -3.991 1.956 -1.922) 4.843 5.395 ( -3.145 -0.438 -1.356) 3.453 5.395 ( -3.145 0.438 -1.356) 3.453 5.630 ( -5.611 -1.485 0.072) 5.805 5.630 ( -5.611 1.485 0.072) 5.805 5.808 ( 3.182 -6.463 4.222) 8.350 5.808 ( 3.182 6.463 4.222) 8.350 5.850 ( -5.277 -1.221 -7.820) 9.513 5.850 ( -5.277 1.221 -7.820) 9.513 5.953 ( 2.068 -7.056 2.343) 7.717 5.953 ( 2.068 7.056 2.343) 7.717 6.096 ( -3.746 -8.954 -1.179) 9.777 6.096 ( -3.746 8.954 -1.179) 9.777 6.304 ( -2.760 -4.538 8.900) 10.365 6.304 ( -2.760 4.538 8.900) 10.365 6.601 ( -1.126 -2.634 -3.694) 4.674 6.601 ( -1.126 2.634 -3.694) 4.674 6.757 ( 5.430 -4.521 -0.545) 7.087 6.757 ( 5.430 4.521 -0.545) 7.087 6.845 ( -3.733 -3.965 6.970) 8.845 6.845 ( -3.733 3.965 6.970) 8.845 7.040 ( -8.222 -2.834 0.470) 8.710 7.040 ( -8.222 2.834 0.470) 8.710 7.218 ( -9.552 -2.906 -0.243) 9.987 7.218 ( -9.552 2.906 -0.243) 9.987 7.276 ( -2.992 -1.663 -4.293) 5.490 7.276 ( -2.992 1.663 -4.293) 5.490 7.440 ( -5.753 -4.915 1.721) 7.760 7.440 ( -5.753 4.915 1.721) 7.760 7.577 ( -3.556 -2.095 -2.691) 4.927 7.577 ( -3.556 2.095 -2.691) 4.927 7.677 ( -5.662 -1.008 -4.053) 7.036 7.677 ( -5.662 1.008 -4.053) 7.036 7.823 ( -2.068 -3.925 -6.254) 7.668 7.823 ( -2.068 3.925 -6.254) 7.668 8.007 ( -7.596 -3.151 3.521) 8.945 8.007 ( -7.596 3.151 3.521) 8.945 8.126 ( -4.754 -0.670 1.748) 5.109 8.126 ( -4.754 0.670 1.748) 5.109 8.237 ( 0.656 -4.105 3.289) 5.301 8.237 ( 0.656 4.105 3.289) 5.301 8.339 ( 3.352 -3.101 -1.241) 4.732 8.339 ( 3.352 3.101 -1.241) 4.732 8.489 ( -3.018 -3.229 3.309) 5.521 8.489 ( -3.018 3.229 3.309) 5.521 8.579 ( -0.735 -2.275 0.729) 2.499 8.579 ( -0.735 2.275 0.729) 2.499 8.674 ( 6.154 -1.215 -0.206) 6.276 8.674 ( 6.154 1.215 -0.206) 6.276 8.733 ( -0.679 -2.331 4.786) 5.367 8.733 ( -0.679 2.331 4.786) 5.367 8.811 ( 8.319 -3.365 -0.481) 8.987 8.811 ( 8.319 3.365 -0.481) 8.987 9.068 ( -0.256 -2.536 -0.630) 2.626 9.068 ( -0.256 2.536 -0.630) 2.626 9.125 ( 0.769 -3.188 1.673) 3.682 9.125 ( 0.769 3.188 1.673) 3.682 9.250 ( 4.052 -2.306 -0.526) 4.692 9.250 ( 4.052 2.306 -0.526) 4.692 9.398 ( -0.174 -2.379 -1.604) 2.874 9.398 ( -0.174 2.379 -1.604) 2.875 9.506 ( 6.118 -2.802 0.268) 6.735 9.506 ( 6.118 2.802 0.268) 6.735 9.608 ( 3.196 -2.315 4.709) 6.144 9.608 ( 3.196 2.315 4.709) 6.144 9.786 ( 3.141 -2.492 -0.121) 4.011 9.786 ( 3.141 2.492 -0.121) 4.011 9.983 ( 5.917 -3.654 -0.059) 6.955 9.983 ( 5.917 3.654 -0.059) 6.955 10.079 ( 1.575 -6.861 -4.210) 8.203 10.079 ( 1.575 6.861 -4.210) 8.203 10.305 ( 9.749 -4.072 -1.487) 10.669 10.305 ( 9.749 4.072 -1.487) 10.669 10.613 ( 4.427 -5.153 3.524) 7.653 10.613 ( 4.427 5.153 3.524) 7.653 10.749 ( 3.351 -2.266 -8.614) 9.517 10.749 ( 3.351 2.266 -8.614) 9.517 11.232 ( 0.612 -8.823 -3.233) 9.416 11.232 ( 0.612 8.823 -3.233) 9.416 11.518 ( 7.510 -5.277 3.127) 9.697 11.518 ( 7.510 5.277 3.127) 9.697 11.876 ( -2.082 -1.944 -5.726) 6.395 11.876 ( -2.082 1.944 -5.726) 6.395 12.719 ( -1.146 -1.378 6.083) 6.341 12.719 ( -1.146 1.378 6.083) 6.341 13.064 ( 0.458 -7.147 -1.294) 7.277 13.064 ( 0.458 7.147 -1.294) 7.277 13.986 ( 0.221 -3.686 0.153) 3.695 13.986 ( 0.221 3.686 0.153) 3.695 14.219 ( 2.859 -7.745 2.178) 8.539 14.219 ( 2.859 7.745 2.178) 8.539 14.667 ( -1.093 -2.617 -1.960) 3.448 14.667 ( -1.093 2.617 -1.960) 3.448 14.942 ( 2.573 -3.356 -3.873) 5.734 14.942 ( 2.573 3.356 -3.873) 5.734 16.350 ( -0.827 -0.960 3.080) 3.330 16.350 ( -0.827 0.960 3.080) 3.330 16.789 ( 1.009 -1.143 -2.937) 3.309 16.789 ( 1.009 1.143 -2.937) 3.309 17.065 ( 0.494 -1.389 -1.114) 1.848 17.065 ( 0.494 1.389 -1.114) 1.848 17.281 ( -0.337 -2.324 1.890) 3.015 17.281 ( -0.337 2.324 1.890) 3.015 17.382 ( -1.513 -1.582 1.808) 2.839 17.382 ( -1.513 1.582 1.808) 2.839 17.511 ( -2.690 -0.919 -0.713) 2.931 17.511 ( -2.690 0.919 -0.713) 2.931 17.595 ( 1.841 -0.490 -2.235) 2.937 17.595 ( 1.841 0.490 -2.235) 2.937 17.781 ( 2.519 -2.843 2.555) 4.578 17.781 ( 2.519 2.843 2.555) 4.578 17.867 ( 1.373 -1.868 2.075) 3.111 17.867 ( 1.373 1.868 2.075) 3.111 18.054 ( -0.166 -2.729 -1.025) 2.920 18.054 ( -0.166 2.729 -1.025) 2.920 18.139 ( -1.946 -6.524 -2.133) 7.134 18.139 ( -1.946 6.524 -2.133) 7.134 18.345 ( 2.103 -1.375 -4.533) 5.183 18.345 ( 2.103 1.375 -4.533) 5.183 18.556 ( -3.123 -3.308 5.317) 6.997 18.556 ( -3.123 3.308 5.317) 6.997 18.799 ( -0.431 -0.492 -0.309) 0.723 18.799 ( -0.431 0.492 -0.309) 0.723 21.065 ( -18.991 -0.652 -1.348) 19.050 21.065 ( -18.991 0.652 -1.348) 19.050 21.088 ( -19.178 -1.584 -0.716) 19.257 21.088 ( -19.178 1.584 -0.716) 19.257 21.542 ( 0.112 -7.519 3.081) 8.127 21.542 ( 0.112 7.519 3.081) 8.127 21.758 ( 11.348 -0.403 -5.053) 12.429 21.758 ( 11.348 0.403 -5.053) 12.429 21.855 ( 3.170 -3.381 2.876) 5.455 21.855 ( 3.170 3.381 2.876) 5.455 21.915 ( 6.781 -1.383 5.708) 8.971 21.915 ( 6.781 1.383 5.708) 8.971 27.021 ( -0.494 -0.527 0.642) 0.966 27.021 ( -0.494 0.527 0.642) 0.966 27.129 ( 0.058 -0.249 -0.668) 0.715 27.129 ( 0.058 0.249 -0.668) 0.715 27.536 ( -0.279 -0.976 1.288) 1.640 27.536 ( -0.279 0.976 1.288) 1.640 27.592 ( 0.463 -0.743 0.857) 1.225 27.592 ( 0.463 0.743 0.857) 1.225 27.865 ( -0.121 -0.371 -0.862) 0.946 27.865 ( -0.121 0.371 -0.862) 0.946 27.919 ( 1.608 -0.367 -1.276) 2.086 27.919 ( 1.608 0.367 -1.276) 2.086 36.923 ( 0.437 -0.668 -1.160) 1.408 36.923 ( 0.437 0.668 -1.160) 1.408 37.085 ( -2.010 -3.322 -2.101) 4.415 37.085 ( -2.010 3.322 -2.101) 4.415 37.286 ( -4.733 -1.786 -4.537) 6.796 37.286 ( -4.733 1.786 -4.537) 6.796 37.369 ( -4.898 -3.093 -7.791) 9.708 37.369 ( -4.898 3.093 -7.791) 9.708 37.774 ( -8.181 -3.036 7.043) 11.214 37.774 ( -8.181 3.036 7.043) 11.214 38.191 ( -6.687 -6.812 3.463) 10.154 38.191 ( -6.687 6.812 3.463) 10.154 38.326 ( 3.094 -3.141 6.468) 7.828 38.326 ( 3.094 3.141 6.468) 7.828 38.519 ( -2.522 -5.662 0.596) 6.227 38.519 ( -2.522 5.662 0.596) 6.227 38.752 ( 3.282 -11.857 -0.792) 12.328 38.752 ( 3.282 11.857 -0.792) 12.328 38.971 ( 1.743 -12.088 -3.761) 12.779 38.971 ( 1.743 12.088 -3.761) 12.779 39.394 ( 21.499 -6.760 1.150) 22.566 39.394 ( 21.499 6.760 1.150) 22.566 39.618 ( 17.185 -5.654 -6.072) 19.083 39.618 ( 17.185 5.654 -6.072) 19.083 ======================= Grid point 89 (46/96) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -16.376 -7.438 -1.166) 18.023 1.490 ( -16.376 7.438 -1.166) 18.023 1.758 ( -17.798 -14.823 -5.683) 23.849 1.758 ( -17.798 14.823 -5.683) 23.849 2.287 ( 3.060 -4.535 2.830) 6.160 2.287 ( 3.060 4.535 2.830) 6.160 2.560 ( -1.584 -4.319 -7.126) 8.482 2.560 ( -1.584 4.319 -7.126) 8.482 2.815 ( 5.584 -4.181 1.504) 7.136 2.815 ( 5.584 4.181 1.504) 7.136 2.887 ( 2.343 -3.367 -0.422) 4.123 2.887 ( 2.343 3.367 -0.422) 4.123 3.013 ( 3.853 -6.402 1.621) 7.646 3.013 ( 3.853 6.402 1.621) 7.646 3.395 ( -4.304 -6.302 -1.602) 7.798 3.395 ( -4.304 6.302 -1.602) 7.798 3.491 ( -1.758 -1.790 -0.713) 2.608 3.491 ( -1.758 1.790 -0.713) 2.608 3.642 ( -9.239 -2.919 -0.850) 9.726 3.642 ( -9.239 2.919 -0.850) 9.726 4.025 ( 4.757 -1.405 1.099) 5.081 4.025 ( 4.757 1.405 1.099) 5.081 4.135 ( -5.448 -9.506 4.020) 11.671 4.135 ( -5.448 9.506 4.020) 11.671 4.382 ( 0.404 -3.863 0.628) 3.934 4.382 ( 0.404 3.863 0.628) 3.934 4.589 ( 3.215 -3.051 -0.308) 4.443 4.589 ( 3.215 3.051 -0.308) 4.443 4.825 ( -5.298 -2.079 4.231) 7.091 4.825 ( -5.298 2.079 4.231) 7.091 4.948 ( -7.585 -3.209 4.357) 9.317 4.948 ( -7.585 3.209 4.357) 9.317 5.115 ( -10.130 -1.755 -2.569) 10.597 5.115 ( -10.130 1.755 -2.569) 10.597 5.294 ( -5.382 -3.460 -3.115) 7.116 5.294 ( -5.382 3.460 -3.115) 7.116 5.538 ( -5.632 -2.134 1.138) 6.130 5.538 ( -5.632 2.134 1.138) 6.130 5.688 ( -4.389 -2.823 -5.534) 7.607 5.688 ( -4.389 2.823 -5.534) 7.607 5.872 ( -0.509 -4.681 0.635) 4.751 5.872 ( -0.509 4.681 0.635) 4.751 5.996 ( -2.052 -5.729 5.729) 8.358 5.996 ( -2.052 5.729 5.729) 8.358 6.080 ( 2.614 -10.270 -0.118) 10.598 6.080 ( 2.614 10.270 -0.118) 10.598 6.331 ( -2.712 -4.871 10.248) 11.666 6.331 ( -2.712 4.871 10.248) 11.666 6.490 ( -7.975 -5.631 -3.721) 10.448 6.490 ( -7.975 5.631 -3.721) 10.448 6.672 ( -12.376 -6.168 2.492) 14.050 6.672 ( -12.376 6.168 2.492) 14.050 6.858 ( -3.799 -5.925 0.679) 7.071 6.858 ( -3.799 5.925 0.679) 7.071 6.947 ( 0.331 -7.157 -0.299) 7.171 6.947 ( 0.331 7.157 -0.299) 7.171 7.055 ( -5.498 -6.330 0.757) 8.419 7.055 ( -5.498 6.330 0.757) 8.419 7.238 ( -2.851 -7.221 -3.908) 8.691 7.238 ( -2.851 7.221 -3.908) 8.691 7.350 ( -8.058 -4.351 2.073) 9.389 7.350 ( -8.058 4.351 2.073) 9.389 7.440 ( -2.563 -6.909 -2.958) 7.941 7.440 ( -2.563 6.909 -2.958) 7.941 7.597 ( -0.467 -3.081 -2.097) 3.756 7.597 ( -0.467 3.081 -2.097) 3.756 7.710 ( -6.029 -2.159 -2.793) 6.987 7.710 ( -6.029 2.159 -2.793) 6.987 7.905 ( -6.338 -1.437 3.115) 7.207 7.905 ( -6.338 1.437 3.115) 7.207 8.045 ( -7.069 -5.110 1.253) 8.812 8.045 ( -7.069 5.110 1.253) 8.812 8.263 ( -1.634 -6.080 4.649) 7.827 8.263 ( -1.634 6.080 4.649) 7.827 8.342 ( -4.125 -1.147 0.295) 4.292 8.342 ( -4.125 1.147 0.295) 4.292 8.432 ( 0.148 -1.779 1.405) 2.271 8.432 ( 0.148 1.779 1.405) 2.271 8.561 ( -0.410 -0.972 -3.300) 3.465 8.561 ( -0.410 0.972 -3.300) 3.465 8.729 ( 3.915 -2.192 -1.132) 4.628 8.729 ( 3.915 2.192 -1.132) 4.628 8.814 ( 3.191 -3.041 2.069) 4.870 8.814 ( 3.191 3.041 2.069) 4.870 8.975 ( 0.002 -1.309 -0.547) 1.418 8.975 ( 0.002 1.309 -0.547) 1.418 9.030 ( 4.606 -1.712 -1.466) 5.128 9.030 ( 4.606 1.712 -1.466) 5.128 9.201 ( 4.669 -3.850 3.055) 6.779 9.201 ( 4.669 3.850 3.055) 6.779 9.322 ( 1.746 -1.453 3.984) 4.587 9.322 ( 1.746 1.453 3.984) 4.587 9.400 ( 4.444 -2.553 -3.087) 5.983 9.400 ( 4.444 2.553 -3.087) 5.983 9.596 ( 2.547 -0.913 1.501) 3.094 9.596 ( 2.547 0.913 1.501) 3.094 9.696 ( 6.126 -4.468 0.480) 7.597 9.696 ( 6.126 4.468 0.480) 7.597 9.913 ( 7.675 -1.568 -0.818) 7.876 9.913 ( 7.675 1.568 -0.818) 7.876 10.024 ( 2.025 -4.174 -3.012) 5.531 10.024 ( 2.025 4.174 -3.012) 5.531 10.176 ( 10.541 -7.525 0.933) 12.984 10.176 ( 10.541 7.525 0.933) 12.984 10.461 ( 7.538 -3.471 -3.144) 8.874 10.461 ( 7.538 3.471 -3.144) 8.874 10.662 ( -0.047 -3.159 1.662) 3.570 10.662 ( -0.047 3.159 1.662) 3.570 10.853 ( 13.421 -1.947 -3.140) 13.920 10.853 ( 13.421 1.947 -3.140) 13.920 11.234 ( 3.451 -8.561 -5.465) 10.727 11.234 ( 3.451 8.561 -5.465) 10.727 11.660 ( 4.894 -1.710 -1.499) 5.397 11.660 ( 4.894 1.710 -1.499) 5.397 11.869 ( 5.110 -6.203 1.924) 8.264 11.869 ( 5.110 6.203 1.924) 8.264 12.719 ( -3.243 -4.360 3.702) 6.575 12.719 ( -3.243 4.360 3.702) 6.575 13.009 ( -5.063 -7.804 -3.156) 9.824 13.009 ( -5.063 7.804 -3.156) 9.824 14.043 ( 6.682 -3.430 -0.596) 7.534 14.043 ( 6.682 3.430 -0.596) 7.534 14.304 ( 4.993 -8.336 3.088) 10.196 14.304 ( 4.993 8.336 3.088) 10.196 14.645 ( -0.325 -2.262 -0.543) 2.349 14.645 ( -0.325 2.262 -0.543) 2.349 14.955 ( 2.486 -2.958 -4.644) 6.041 14.955 ( 2.486 2.958 -4.644) 6.041 16.354 ( -1.982 -1.669 4.643) 5.317 16.354 ( -1.982 1.669 4.643) 5.317 16.775 ( 0.605 -1.436 -4.415) 4.682 16.775 ( 0.605 1.436 -4.415) 4.682 17.060 ( 0.024 -1.544 -1.281) 2.006 17.060 ( 0.024 1.544 -1.281) 2.006 17.284 ( 0.570 -2.720 -1.824) 3.324 17.284 ( 0.570 2.720 -1.824) 3.324 17.364 ( -2.350 -2.624 2.235) 4.172 17.364 ( -2.350 2.624 2.235) 4.172 17.466 ( -1.877 -1.561 0.356) 2.467 17.466 ( -1.877 1.561 0.356) 2.467 17.625 ( 2.303 -0.380 0.027) 2.334 17.625 ( 2.303 0.380 0.027) 2.334 17.821 ( 1.420 -2.090 -1.417) 2.897 17.821 ( 1.420 2.090 -1.417) 2.897 17.925 ( 1.591 -2.102 6.599) 7.107 17.925 ( 1.591 2.102 6.599) 7.107 18.041 ( -0.798 -1.482 -0.343) 1.718 18.041 ( -0.798 1.482 -0.343) 1.718 18.104 ( 0.307 -4.945 -2.818) 5.700 18.104 ( 0.307 4.945 -2.818) 5.700 18.343 ( 1.843 -1.924 -5.571) 6.175 18.343 ( 1.843 1.924 -5.571) 6.175 18.546 ( -2.720 -2.591 6.107) 7.170 18.546 ( -2.720 2.591 6.107) 7.170 18.791 ( -0.296 -1.039 -0.084) 1.083 18.791 ( -0.296 1.039 -0.084) 1.083 20.716 ( -19.281 -0.739 -0.960) 19.319 20.716 ( -19.281 0.739 -0.960) 19.319 20.740 ( -19.714 -2.283 -0.239) 19.847 20.740 ( -19.714 2.283 -0.239) 19.847 21.408 ( -16.673 -18.897 3.423) 25.433 21.408 ( -16.673 18.897 3.423) 25.433 21.908 ( 8.963 -0.666 -2.887) 9.440 21.908 ( 8.963 0.666 -2.887) 9.440 21.961 ( 7.203 -1.367 -0.132) 7.332 21.961 ( 7.203 1.367 -0.132) 7.332 22.072 ( 5.529 -2.030 3.888) 7.057 22.072 ( 5.529 2.030 3.888) 7.057 27.016 ( -0.594 -0.539 0.650) 1.032 27.016 ( -0.594 0.539 0.650) 1.032 27.123 ( -0.159 -0.278 -0.511) 0.603 27.123 ( -0.159 0.278 -0.511) 0.603 27.544 ( 0.113 -1.467 1.302) 1.965 27.544 ( 0.113 1.467 1.302) 1.965 27.608 ( 0.751 -0.435 0.674) 1.099 27.608 ( 0.751 0.435 0.674) 1.099 27.855 ( -0.025 -0.557 -1.368) 1.477 27.855 ( -0.025 0.557 -1.368) 1.477 27.947 ( 2.337 -0.124 -0.790) 2.470 27.947 ( 2.337 0.124 -0.790) 2.470 36.893 ( -3.442 -2.640 -0.401) 4.356 36.893 ( -3.442 2.640 -0.401) 4.356 37.037 ( -0.599 -1.099 -3.077) 3.322 37.037 ( -0.599 1.099 -3.077) 3.322 37.199 ( -2.385 -2.769 -1.996) 4.164 37.199 ( -2.385 2.769 -1.996) 4.164 37.229 ( -5.731 -0.958 -3.405) 6.735 37.229 ( -5.731 0.958 -3.405) 6.735 37.671 ( -8.645 -2.108 5.474) 10.448 37.671 ( -8.645 2.108 5.474) 10.448 38.033 ( -8.918 -5.904 0.394) 10.703 38.033 ( -8.918 5.904 0.394) 10.703 38.420 ( -7.089 -4.733 0.882) 8.570 38.420 ( -7.089 4.733 0.882) 8.570 38.520 ( 8.002 -12.572 6.786) 16.375 38.520 ( 8.002 12.572 6.786) 16.375 38.792 ( 2.094 -10.115 0.212) 10.332 38.792 ( 2.094 10.115 0.212) 10.332 39.145 ( 22.978 -29.435 -7.090) 38.009 39.145 ( 22.978 29.435 -7.090) 38.009 39.777 ( 20.338 -8.213 -0.573) 21.941 39.777 ( 20.338 8.213 -0.573) 21.941 39.959 ( 24.039 -6.052 -1.910) 24.863 39.959 ( 24.039 6.052 -1.910) 24.863 ======================= Grid point 91 (47/96) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -10.165 -15.390 0.881) 18.465 1.263 ( -10.165 15.390 0.881) 18.465 1.411 ( -17.382 -17.264 1.521) 24.546 1.411 ( -17.382 17.264 1.521) 24.546 2.315 ( -4.162 -4.700 1.338) 6.419 2.315 ( -4.162 4.700 1.338) 6.419 2.547 ( -0.426 -4.084 3.265) 5.246 2.547 ( -0.426 4.084 3.265) 5.246 2.740 ( -7.299 -6.195 -3.799) 10.299 2.740 ( -7.299 6.195 -3.799) 10.299 2.920 ( 4.371 -10.381 -5.976) 12.751 2.920 ( 4.371 10.381 -5.976) 12.751 3.116 ( -0.647 -4.616 1.643) 4.942 3.116 ( -0.647 4.616 1.643) 4.942 3.295 ( 2.643 -8.455 -1.425) 8.972 3.295 ( 2.643 8.455 -1.425) 8.972 3.488 ( 2.529 -7.218 3.256) 8.312 3.488 ( 2.529 7.218 3.256) 8.312 3.594 ( -0.347 -4.987 -0.495) 5.024 3.594 ( -0.347 4.987 -0.495) 5.024 4.056 ( -3.997 -2.642 1.520) 5.026 4.056 ( -3.997 2.642 1.520) 5.026 4.092 ( 0.857 -5.486 0.997) 5.641 4.092 ( 0.857 5.486 0.997) 5.641 4.387 ( -0.876 -1.373 1.202) 2.024 4.387 ( -0.876 1.373 1.202) 2.024 4.569 ( -6.460 -3.840 0.796) 7.557 4.569 ( -6.460 3.840 0.796) 7.557 4.705 ( -10.439 -0.897 -1.062) 10.531 4.705 ( -10.439 0.897 -1.062) 10.531 4.866 ( -5.321 -4.562 -0.334) 7.017 4.866 ( -5.321 4.562 -0.334) 7.017 4.932 ( -4.997 -0.484 1.205) 5.163 4.932 ( -4.997 0.484 1.205) 5.163 5.186 ( -5.868 -4.472 -0.426) 7.391 5.186 ( -5.868 4.472 -0.426) 7.391 5.429 ( -6.735 -2.504 -0.627) 7.213 5.429 ( -6.735 2.504 -0.627) 7.213 5.619 ( -2.563 -3.425 1.569) 4.556 5.619 ( -2.563 3.425 1.569) 4.556 5.812 ( -2.925 -1.557 -5.831) 6.707 5.812 ( -2.925 1.557 -5.831) 6.707 5.982 ( -3.447 -3.640 2.877) 5.780 5.982 ( -3.447 3.640 2.877) 5.780 6.092 ( -5.707 -0.891 4.708) 7.451 6.092 ( -5.707 0.891 4.708) 7.451 6.296 ( -2.021 -3.159 0.978) 3.875 6.296 ( -2.021 3.159 0.978) 3.875 6.361 ( -10.669 -1.717 2.901) 11.189 6.361 ( -10.669 1.717 2.901) 11.189 6.528 ( -5.009 -5.369 4.580) 8.655 6.528 ( -5.009 5.369 4.580) 8.655 6.713 ( -6.256 -11.706 -1.506) 13.358 6.713 ( -6.256 11.706 -1.506) 13.358 6.924 ( -3.701 -4.786 -2.431) 6.520 6.924 ( -3.701 4.786 -2.431) 6.520 7.051 ( 1.607 -7.636 -0.949) 7.861 7.051 ( 1.607 7.636 -0.949) 7.861 7.112 ( -5.120 -5.996 -5.860) 9.824 7.112 ( -5.120 5.996 -5.860) 9.824 7.276 ( 0.799 -2.120 2.553) 3.414 7.276 ( 0.799 2.120 2.553) 3.414 7.454 ( -1.673 -2.117 2.604) 3.750 7.454 ( -1.673 2.117 2.604) 3.750 7.586 ( -0.104 -3.075 -0.631) 3.141 7.586 ( -0.104 3.075 -0.631) 3.141 7.607 ( -3.647 -2.108 2.115) 4.714 7.607 ( -3.647 2.108 2.115) 4.714 7.836 ( -4.090 -1.355 1.443) 4.544 7.836 ( -4.090 1.355 1.443) 4.544 7.918 ( -5.386 -8.199 -1.983) 10.008 7.918 ( -5.386 8.199 -1.983) 10.008 8.199 ( -5.976 -3.398 -0.165) 6.877 8.199 ( -5.976 3.398 -0.165) 6.877 8.317 ( -1.940 -4.995 6.564) 8.473 8.317 ( -1.940 4.995 6.564) 8.473 8.482 ( -1.206 -2.630 -2.649) 3.922 8.482 ( -1.206 2.630 -2.649) 3.922 8.516 ( 1.573 -1.921 1.716) 3.019 8.516 ( 1.573 1.921 1.716) 3.019 8.742 ( 1.371 -5.103 -9.030) 10.462 8.742 ( 1.371 5.103 -9.030) 10.462 8.876 ( 1.615 -1.871 0.950) 2.649 8.876 ( 1.615 1.871 0.950) 2.649 8.935 ( -0.672 -3.781 2.888) 4.805 8.935 ( -0.672 3.781 2.888) 4.805 9.073 ( -0.166 -0.815 -0.685) 1.077 9.073 ( -0.166 0.815 -0.685) 1.077 9.291 ( 3.148 -6.363 -0.358) 7.108 9.291 ( 3.148 6.363 -0.358) 7.108 9.423 ( 4.718 -3.582 4.164) 7.241 9.423 ( 4.718 3.582 4.164) 7.241 9.457 ( 4.556 -0.987 -4.373) 6.392 9.457 ( 4.556 0.987 -4.373) 6.392 9.637 ( 1.604 -3.445 1.102) 3.957 9.637 ( 1.604 3.445 1.102) 3.957 9.825 ( 7.962 -4.254 -1.129) 9.098 9.825 ( 7.962 4.254 -1.129) 9.098 9.958 ( 0.333 -0.960 -0.452) 1.112 9.958 ( 0.333 0.960 -0.452) 1.112 10.079 ( 5.457 -6.542 -3.565) 9.235 10.079 ( 5.457 6.542 -3.565) 9.235 10.385 ( 2.832 -2.541 5.035) 6.311 10.385 ( 2.832 2.541 5.035) 6.311 10.503 ( 10.277 -5.794 -4.748) 12.718 10.503 ( 10.277 5.794 -4.748) 12.718 10.766 ( 5.697 -4.694 8.302) 11.109 10.766 ( 5.697 4.694 8.302) 11.109 11.069 ( 11.607 -2.471 -1.277) 11.935 11.069 ( 11.607 2.471 -1.277) 11.935 11.267 ( 5.388 -5.624 -6.961) 10.446 11.267 ( 5.388 5.624 -6.961) 10.446 11.688 ( 3.118 -3.730 -3.375) 5.919 11.688 ( 3.118 3.730 -3.375) 5.919 12.030 ( 7.064 -12.200 4.628) 14.837 12.030 ( 7.064 12.200 4.628) 14.837 12.645 ( -6.179 -5.838 -2.098) 8.756 12.645 ( -6.179 5.838 -2.098) 8.756 12.871 ( -7.960 -7.795 0.405) 11.149 12.871 ( -7.960 7.795 0.405) 11.149 14.183 ( 9.098 -5.140 -2.486) 10.741 14.183 ( 9.098 5.140 -2.486) 10.741 14.457 ( 10.565 -7.166 1.782) 12.890 14.457 ( 10.565 7.166 1.782) 12.890 14.649 ( 0.761 -1.110 1.322) 1.886 14.649 ( 0.761 1.110 1.322) 1.886 14.963 ( 2.452 -2.705 -4.497) 5.793 14.963 ( 2.452 2.705 -4.497) 5.793 16.350 ( -2.821 -1.549 5.581) 6.442 16.350 ( -2.821 1.549 5.581) 6.442 16.751 ( 1.532 -1.761 -6.502) 6.908 16.751 ( 1.532 1.761 -6.502) 6.908 17.049 ( -0.033 -1.901 -1.352) 2.333 17.049 ( -0.033 1.901 -1.352) 2.333 17.264 ( 0.986 -1.806 -7.681) 7.952 17.264 ( 0.986 1.806 -7.681) 7.952 17.342 ( -1.720 -1.709 2.454) 3.450 17.342 ( -1.720 1.709 2.454) 3.450 17.460 ( -0.973 -2.110 4.489) 5.055 17.460 ( -0.973 2.110 4.489) 5.055 17.667 ( 1.935 -0.296 0.770) 2.104 17.667 ( 1.935 0.296 0.770) 2.104 17.820 ( 0.627 -1.809 -2.276) 2.974 17.820 ( 0.627 1.809 -2.276) 2.974 18.002 ( 0.898 -0.843 5.224) 5.367 18.002 ( 0.898 0.843 5.224) 5.367 18.031 ( -0.261 -0.870 2.280) 2.454 18.031 ( -0.261 0.870 2.280) 2.454 18.107 ( 2.276 -3.670 -2.461) 4.971 18.107 ( 2.276 3.670 -2.461) 4.971 18.330 ( 1.199 -3.046 -4.722) 5.746 18.330 ( 1.199 3.046 -4.722) 5.746 18.556 ( -1.442 -2.630 6.756) 7.392 18.556 ( -1.442 2.630 6.756) 7.392 18.789 ( -0.061 -1.993 0.536) 2.065 18.789 ( -0.061 1.993 0.536) 2.065 20.395 ( -16.240 -0.636 -0.367) 16.257 20.395 ( -16.240 0.636 -0.367) 16.257 20.416 ( -16.506 -1.717 -0.025) 16.595 20.416 ( -16.506 1.717 -0.025) 16.595 21.022 ( -28.434 -23.682 -1.530) 37.036 21.022 ( -28.434 23.682 -1.530) 37.036 22.024 ( 6.119 -0.566 -1.459) 6.316 22.024 ( 6.119 0.566 -1.459) 6.316 22.071 ( 5.354 -0.432 -0.425) 5.388 22.071 ( 5.354 0.432 -0.425) 5.388 22.164 ( 2.537 -1.257 2.297) 3.646 22.164 ( 2.537 1.257 2.297) 3.646 27.010 ( -0.608 -0.556 0.697) 1.079 27.010 ( -0.608 0.556 0.697) 1.079 27.117 ( -0.192 -0.137 -0.239) 0.336 27.117 ( -0.192 0.137 -0.239) 0.336 27.558 ( 0.277 -1.738 1.253) 2.160 27.558 ( 0.277 1.738 1.253) 2.160 27.628 ( 0.973 -0.075 0.621) 1.156 27.628 ( 0.973 0.075 0.621) 1.156 27.846 ( 0.295 -1.237 -1.655) 2.087 27.846 ( 0.295 1.237 -1.655) 2.087 27.986 ( 2.500 -0.287 -0.359) 2.541 27.986 ( 2.500 0.287 -0.359) 2.541 36.809 ( -3.397 -3.478 -4.043) 6.323 36.809 ( -3.397 3.478 -4.043) 6.323 37.032 ( -0.687 -0.205 3.372) 3.447 37.032 ( -0.687 0.205 3.372) 3.447 37.117 ( -3.713 -2.474 -1.422) 4.683 37.117 ( -3.713 2.474 -1.422) 4.683 37.172 ( -1.779 -1.498 2.163) 3.176 37.172 ( -1.779 1.498 2.163) 3.176 37.557 ( -7.758 -1.523 3.120) 8.499 37.557 ( -7.758 1.523 3.120) 8.499 37.932 ( -3.696 -4.258 2.745) 6.271 37.932 ( -3.696 4.258 2.745) 6.271 38.287 ( -6.937 -3.977 -0.675) 8.025 38.287 ( -6.937 3.977 -0.675) 8.025 38.693 ( 5.914 -21.015 4.069) 22.208 38.693 ( 5.914 21.015 4.069) 22.208 38.829 ( 3.133 -11.915 -3.613) 12.839 38.829 ( 3.133 11.915 -3.613) 12.839 39.660 ( 38.884 -32.133 -2.949) 50.529 39.660 ( 38.884 32.133 -2.949) 50.529 40.101 ( 18.553 -6.719 -1.512) 19.790 40.101 ( 18.553 6.719 -1.512) 19.790 40.374 ( 22.210 -4.482 1.938) 22.740 40.374 ( 22.210 4.482 1.938) 22.740 ======================= Grid point 93 (48/96) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -6.290 -27.690 -8.516) 29.645 1.073 ( -6.290 27.690 -8.516) 29.645 1.256 ( -8.439 -22.849 11.203) 26.810 1.256 ( -8.439 22.849 11.203) 26.810 2.228 ( -7.556 -23.746 10.373) 26.992 2.228 ( -7.556 23.746 10.373) 26.992 2.413 ( -8.950 -4.862 0.151) 10.187 2.413 ( -8.950 4.862 0.151) 10.187 2.772 ( 4.356 -6.765 4.927) 9.435 2.772 ( 4.356 6.765 4.927) 9.435 2.906 ( 0.779 -13.045 -10.770) 16.935 2.906 ( 0.779 13.045 -10.770) 16.935 3.105 ( 2.500 -2.366 -3.375) 4.820 3.105 ( 2.500 2.366 -3.375) 4.820 3.384 ( 4.056 -3.849 5.945) 8.161 3.384 ( 4.056 3.849 5.945) 8.161 3.540 ( 0.095 -9.167 -7.339) 11.743 3.540 ( 0.095 9.167 -7.339) 11.743 3.644 ( 5.450 -6.048 6.910) 10.678 3.644 ( 5.450 6.048 6.910) 10.678 3.986 ( -4.016 -1.196 0.656) 4.242 3.986 ( -4.016 1.196 0.656) 4.242 4.117 ( -0.250 -2.756 1.954) 3.387 4.117 ( -0.250 2.756 1.954) 3.387 4.330 ( -7.557 -4.669 -0.645) 8.907 4.330 ( -7.557 4.669 -0.645) 8.907 4.443 ( -7.301 -0.524 2.560) 7.755 4.443 ( -7.301 0.524 2.560) 7.755 4.532 ( -3.142 -1.351 -1.796) 3.863 4.532 ( -3.142 1.351 -1.796) 3.863 4.759 ( -4.445 -3.811 -2.117) 6.226 4.759 ( -4.445 3.811 -2.117) 6.226 4.933 ( -1.343 -1.037 5.017) 5.296 4.933 ( -1.343 1.037 5.017) 5.296 5.069 ( -6.222 -5.174 -1.045) 8.159 5.069 ( -6.222 5.174 -1.045) 8.159 5.324 ( -4.003 -4.029 -0.587) 5.710 5.324 ( -4.003 4.029 -0.587) 5.710 5.611 ( 0.176 -4.929 2.367) 5.471 5.611 ( 0.176 4.929 2.367) 5.471 5.691 ( -5.324 -1.949 -5.435) 7.854 5.691 ( -5.324 1.949 -5.435) 7.854 5.921 ( -4.507 -1.382 1.337) 4.900 5.921 ( -4.507 1.382 1.337) 4.900 6.025 ( -4.929 -6.531 4.421) 9.300 6.025 ( -4.929 6.531 4.421) 9.300 6.145 ( -10.724 -5.285 1.811) 12.092 6.145 ( -10.724 5.285 1.811) 12.092 6.314 ( 1.673 -4.257 -3.526) 5.776 6.314 ( 1.673 4.257 -3.526) 5.776 6.466 ( -5.781 -7.262 0.091) 9.282 6.466 ( -5.781 7.262 0.091) 9.282 6.684 ( 1.092 -9.000 3.757) 9.813 6.684 ( 1.092 9.000 3.757) 9.813 6.840 ( -1.853 -5.322 -7.896) 9.701 6.840 ( -1.853 5.322 -7.896) 9.701 6.999 ( -2.791 -0.393 -1.686) 3.284 6.999 ( -2.791 0.393 -1.686) 3.284 7.076 ( 1.606 -8.399 0.395) 8.560 7.076 ( 1.606 8.399 0.395) 8.560 7.316 ( -1.090 -2.842 -0.510) 3.086 7.316 ( -1.090 2.842 -0.510) 3.086 7.416 ( -2.197 -0.938 5.102) 5.633 7.416 ( -2.197 0.938 5.102) 5.633 7.553 ( -1.315 -4.567 -1.528) 4.993 7.553 ( -1.315 4.567 -1.528) 4.993 7.645 ( 0.771 -9.660 4.379) 10.634 7.645 ( 0.771 9.660 4.379) 10.634 7.753 ( -1.012 -0.526 -4.252) 4.402 7.753 ( -1.012 0.526 -4.252) 4.402 7.880 ( -0.662 -3.481 1.359) 3.795 7.880 ( -0.662 3.481 1.359) 3.795 8.103 ( -4.983 -3.711 0.948) 6.285 8.103 ( -4.983 3.711 0.948) 6.285 8.294 ( -5.491 -5.335 1.144) 7.741 8.294 ( -5.491 5.335 1.144) 7.741 8.398 ( -1.942 -4.857 -0.339) 5.242 8.398 ( -1.942 4.857 -0.339) 5.242 8.612 ( 2.952 -1.389 2.126) 3.894 8.612 ( 2.952 1.389 2.126) 3.894 8.693 ( 2.236 -6.594 -8.953) 11.342 8.693 ( 2.236 6.594 -8.953) 11.342 8.875 ( -0.895 -2.438 1.612) 3.056 8.875 ( -0.895 2.438 1.612) 3.056 8.976 ( 0.982 -6.540 1.693) 6.827 8.976 ( 0.982 6.540 1.693) 6.827 9.045 ( -1.355 -1.257 -1.890) 2.644 9.045 ( -1.355 1.257 -1.890) 2.644 9.310 ( 0.118 -4.804 -2.844) 5.584 9.310 ( 0.118 4.804 -2.844) 5.584 9.439 ( 1.955 -3.743 -6.663) 7.888 9.439 ( 1.955 3.743 -6.663) 7.888 9.553 ( 3.962 -2.720 4.406) 6.520 9.553 ( 3.962 2.720 4.406) 6.520 9.671 ( 0.922 -5.490 1.238) 5.703 9.671 ( 0.922 5.490 1.238) 5.703 9.925 ( 2.755 -1.699 -5.279) 6.192 9.925 ( 2.755 1.699 -5.279) 6.192 9.964 ( 3.201 -1.453 0.944) 3.640 9.964 ( 3.201 1.453 0.944) 3.640 10.147 ( 2.796 -2.663 1.609) 4.184 10.147 ( 2.796 2.663 1.609) 4.184 10.368 ( -1.288 -4.883 0.051) 5.050 10.368 ( -1.288 4.883 0.051) 5.050 10.731 ( 8.842 -9.803 3.601) 13.684 10.731 ( 8.842 9.803 3.601) 13.684 10.933 ( 3.920 -6.942 11.123) 13.685 10.933 ( 3.920 6.942 11.123) 13.685 11.199 ( 3.568 -2.557 0.033) 4.389 11.199 ( 3.568 2.557 0.033) 4.389 11.338 ( 8.847 -4.143 -5.034) 10.990 11.338 ( 8.847 4.143 -5.034) 10.990 11.761 ( 7.036 -9.661 -1.201) 12.011 11.761 ( 7.036 9.661 -1.201) 12.011 12.117 ( -0.386 -7.695 2.356) 8.057 12.117 ( -0.386 7.695 2.356) 8.057 12.510 ( -5.073 -0.782 -2.065) 5.532 12.510 ( -5.073 0.782 -2.065) 5.532 12.764 ( -5.630 -6.440 2.076) 8.802 12.764 ( -5.630 6.440 2.076) 8.802 14.287 ( 4.793 -5.271 -3.205) 7.812 14.287 ( 4.793 5.271 -3.205) 7.812 14.608 ( 3.000 -2.028 -0.231) 3.629 14.608 ( 3.000 2.028 -0.231) 3.629 14.749 ( 11.449 -4.377 -2.079) 12.432 14.749 ( 11.449 4.377 -2.079) 12.432 14.976 ( 2.215 -3.476 -3.663) 5.514 14.976 ( 2.215 3.476 -3.663) 5.514 16.332 ( -3.609 -1.507 4.382) 5.873 16.332 ( -3.609 1.507 4.382) 5.873 16.738 ( 3.365 -2.333 -9.044) 9.928 16.738 ( 3.365 2.333 -9.044) 9.928 17.043 ( 0.318 -2.210 -1.238) 2.552 17.043 ( 0.318 2.210 -1.238) 2.552 17.217 ( 1.003 -2.851 -7.929) 8.485 17.217 ( 1.003 2.851 -7.929) 8.485 17.340 ( -0.652 -2.673 2.025) 3.416 17.340 ( -0.652 2.673 2.025) 3.416 17.490 ( 0.165 -1.668 4.691) 4.981 17.490 ( 0.165 1.668 4.691) 4.981 17.697 ( 1.066 -0.694 -0.276) 1.302 17.697 ( 1.066 0.694 -0.276) 1.302 17.823 ( 1.219 -0.823 -1.094) 1.833 17.823 ( 1.219 0.823 -1.094) 1.833 18.004 ( -0.553 -2.022 -1.525) 2.592 18.004 ( -0.553 2.022 -1.525) 2.592 18.075 ( 0.004 -5.039 5.109) 7.176 18.075 ( 0.004 5.039 5.109) 7.176 18.153 ( 3.568 -2.794 0.686) 4.583 18.153 ( 3.568 2.794 0.686) 4.583 18.323 ( 1.230 -3.720 -2.080) 4.436 18.323 ( 1.230 3.720 -2.080) 4.436 18.599 ( 0.146 -3.643 7.790) 8.602 18.599 ( 0.146 3.643 7.790) 8.602 18.797 ( 0.090 -3.041 1.394) 3.346 18.797 ( 0.090 3.041 1.394) 3.346 20.161 ( -9.599 -0.151 -0.367) 9.608 20.161 ( -9.599 0.151 -0.367) 9.608 20.184 ( -9.560 -0.500 0.222) 9.576 20.184 ( -9.560 0.500 0.222) 9.576 20.433 ( -32.480 -12.912 -3.755) 35.153 20.433 ( -32.480 12.912 -3.755) 35.153 22.100 ( 3.335 -0.498 -0.490) 3.407 22.100 ( 3.335 0.498 -0.490) 3.407 22.139 ( 2.822 -0.262 -0.480) 2.874 22.139 ( 2.822 0.262 -0.480) 2.874 22.201 ( 0.370 -0.602 1.319) 1.496 22.201 ( 0.370 0.602 1.319) 1.496 27.006 ( -0.451 -0.817 0.825) 1.246 27.006 ( -0.451 0.817 0.825) 1.246 27.114 ( -0.135 -0.142 0.002) 0.196 27.114 ( -0.135 0.142 0.002) 0.196 27.571 ( 0.124 -1.703 1.306) 2.150 27.571 ( 0.124 1.703 1.306) 2.150 27.650 ( 0.759 -0.121 0.742) 1.069 27.650 ( 0.759 0.121 0.742) 1.069 27.840 ( 0.554 -1.685 -1.802) 2.529 27.840 ( 0.554 1.685 -1.802) 2.529 28.025 ( 1.943 -0.480 0.029) 2.002 28.025 ( 1.943 0.480 0.029) 2.002 36.734 ( -1.263 -3.473 -4.777) 6.040 36.734 ( -1.263 3.473 -4.777) 6.040 37.020 ( -2.993 -1.734 3.031) 4.599 37.020 ( -2.993 1.734 3.031) 4.599 37.095 ( -0.363 -2.295 2.436) 3.367 37.095 ( -0.363 2.295 2.436) 3.367 37.185 ( 0.104 -1.822 6.750) 6.992 37.185 ( 0.104 1.822 6.750) 6.992 37.457 ( -4.989 -2.184 0.651) 5.484 37.457 ( -4.989 2.184 0.651) 5.484 37.936 ( -0.757 -3.557 7.660) 8.480 37.936 ( -0.757 3.557 7.660) 8.480 38.183 ( -3.796 -4.505 -1.490) 6.076 38.183 ( -3.796 4.505 -1.490) 6.076 38.765 ( 1.048 -22.266 -2.610) 22.443 38.765 ( 1.048 22.266 -2.610) 22.443 38.846 ( 3.044 -12.305 -5.629) 13.870 38.846 ( 3.044 12.305 -5.629) 13.870 40.200 ( 15.332 -9.633 1.324) 18.155 40.200 ( 15.332 9.633 1.324) 18.155 40.492 ( 25.384 -13.758 -5.858) 29.461 40.492 ( 25.384 13.758 -5.858) 29.461 40.803 ( 27.848 -8.529 4.082) 29.409 40.803 ( 27.848 8.529 4.082) 29.409 ======================= Grid point 105 (49/96) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -2.866 0.000 20.276) 20.477 1.057 ( -1.903 0.000 22.896) 22.975 1.684 ( 2.551 0.000 -8.457) 8.833 1.712 ( 8.093 0.000 -6.641) 10.469 1.928 ( 1.350 0.000 -14.538) 14.600 1.968 ( 1.637 0.000 2.117) 2.677 2.264 ( 1.349 0.000 20.128) 20.174 2.273 ( -4.193 0.000 -0.393) 4.211 2.431 ( 6.872 0.000 17.061) 18.393 2.658 ( -3.361 0.000 -2.741) 4.337 2.851 ( -5.193 0.000 1.328) 5.360 2.968 ( -3.692 0.000 -6.507) 7.481 3.044 ( 4.841 0.000 2.277) 5.350 3.277 ( 4.543 0.000 0.593) 4.582 3.389 ( 4.116 0.000 0.721) 4.178 3.481 ( -6.933 0.000 -6.369) 9.414 3.685 ( 7.340 0.000 2.026) 7.614 3.715 ( -3.552 0.000 -3.799) 5.201 3.807 ( -5.356 0.000 -3.976) 6.670 3.833 ( 5.515 0.000 -6.066) 8.198 3.942 ( 2.682 0.000 -7.803) 8.251 4.011 ( -9.893 0.000 -4.815) 11.002 4.036 ( 3.521 0.000 4.924) 6.054 4.138 ( -2.181 0.000 7.972) 8.265 4.180 ( 0.595 0.000 6.642) 6.668 4.283 ( -3.031 0.000 2.079) 3.675 4.420 ( 1.936 0.000 -0.838) 2.109 4.431 ( 1.680 0.000 7.013) 7.211 4.520 ( -5.472 0.000 0.878) 5.542 4.597 ( 3.989 0.000 -1.361) 4.214 4.665 ( 4.458 0.000 -5.109) 6.780 4.754 ( 0.204 0.000 1.156) 1.174 4.915 ( -1.199 0.000 2.193) 2.499 4.989 ( -2.576 0.000 0.226) 2.585 5.069 ( -3.970 0.000 5.639) 6.896 5.182 ( -2.515 0.000 3.051) 3.954 5.205 ( 2.195 0.000 -3.815) 4.402 5.430 ( 3.329 0.000 6.030) 6.888 5.526 ( -0.079 0.000 -3.457) 3.458 5.592 ( -0.069 0.000 0.047) 0.084 5.712 ( -4.718 0.000 -2.587) 5.381 5.748 ( 2.254 0.000 0.043) 2.254 5.798 ( -6.338 0.000 5.756) 8.561 5.838 ( -0.142 0.000 4.833) 4.836 5.949 ( -3.090 0.000 0.457) 3.124 5.958 ( 5.412 0.000 -0.133) 5.414 6.127 ( 5.767 0.000 -5.927) 8.270 6.161 ( -3.500 0.000 -4.185) 5.456 6.192 ( 2.816 0.000 -0.843) 2.939 6.269 ( -8.180 0.000 -0.593) 8.201 6.348 ( 4.919 0.000 -1.128) 5.047 6.414 ( -4.401 0.000 13.498) 14.198 6.469 ( -1.202 0.000 4.302) 4.467 6.599 ( -0.081 0.000 -9.521) 9.521 6.849 ( 1.120 0.000 -6.492) 6.588 6.971 ( 2.898 0.000 1.439) 3.236 6.994 ( 6.981 0.000 4.554) 8.335 7.034 ( 0.050 0.000 -6.176) 6.176 7.075 ( 5.815 0.000 3.232) 6.653 7.182 ( -1.965 0.000 -4.796) 5.183 7.206 ( -0.811 0.000 -8.497) 8.536 7.232 ( -5.984 0.000 -3.230) 6.800 7.365 ( -2.250 0.000 -8.031) 8.341 7.416 ( -6.662 0.000 0.944) 6.729 7.444 ( -4.022 0.000 3.701) 5.465 7.491 ( 4.387 0.000 3.255) 5.463 7.584 ( -1.280 0.000 0.351) 1.328 7.642 ( -1.931 0.000 5.629) 5.951 7.816 ( -0.073 0.000 2.916) 2.917 7.947 ( 2.307 0.000 2.097) 3.118 7.993 ( -0.594 0.000 5.165) 5.199 8.008 ( -3.248 0.000 2.546) 4.127 8.092 ( 0.568 0.000 6.882) 6.905 8.114 ( 1.470 0.000 -14.120) 14.196 8.140 ( -2.364 0.000 -0.022) 2.364 8.271 ( -2.376 0.000 -2.917) 3.762 8.296 ( 0.953 0.000 1.122) 1.472 8.339 ( 1.710 0.000 -0.063) 1.712 8.548 ( 2.847 0.000 1.652) 3.292 8.550 ( -3.352 0.000 4.070) 5.273 8.650 ( 2.890 0.000 -1.886) 3.451 8.703 ( -0.980 0.000 -3.676) 3.805 8.730 ( -0.540 0.000 3.872) 3.909 8.806 ( 1.884 0.000 -9.652) 9.834 8.923 ( -1.108 0.000 -9.989) 10.050 8.970 ( -1.440 0.000 1.342) 1.968 9.120 ( 3.447 0.000 4.415) 5.601 9.175 ( -2.052 0.000 0.727) 2.177 9.242 ( -2.105 0.000 -3.813) 4.355 9.253 ( 0.893 0.000 -1.798) 2.008 9.303 ( -0.116 0.000 -1.600) 1.604 9.370 ( 0.793 0.000 -7.297) 7.340 9.430 ( -0.784 0.000 0.534) 0.949 9.457 ( 1.627 0.000 -5.176) 5.425 9.739 ( 0.572 0.000 0.461) 0.734 9.756 ( -0.114 0.000 1.513) 1.517 9.816 ( 2.784 0.000 1.709) 3.266 9.884 ( -0.979 0.000 -1.059) 1.442 10.018 ( -0.882 0.000 5.316) 5.389 10.127 ( 3.738 0.000 3.341) 5.013 10.175 ( 1.284 0.000 0.438) 1.357 10.205 ( -2.445 0.000 -1.646) 2.948 10.367 ( 1.598 0.000 7.621) 7.787 10.538 ( -0.878 0.000 -1.360) 1.618 10.636 ( 4.868 0.000 6.022) 7.743 10.807 ( -6.975 0.000 -1.753) 7.192 11.046 ( 4.849 0.000 -5.027) 6.984 11.098 ( -3.865 0.000 -5.837) 7.001 11.232 ( -1.731 0.000 0.826) 1.918 11.323 ( 3.944 0.000 -2.715) 4.788 11.434 ( 2.147 0.000 1.385) 2.555 11.522 ( 5.358 0.000 -0.991) 5.449 11.880 ( -5.950 0.000 7.830) 9.834 12.079 ( -10.484 0.000 3.918) 11.192 12.116 ( -4.437 0.000 0.356) 4.451 12.371 ( 13.153 0.000 5.846) 14.394 12.429 ( 1.914 0.000 -9.305) 9.500 12.507 ( -3.750 0.000 -2.169) 4.332 12.820 ( -13.671 0.000 3.087) 14.015 12.951 ( 26.444 0.000 -3.046) 26.619 13.945 ( -1.624 0.000 10.021) 10.152 14.401 ( 0.092 0.000 -7.967) 7.967 14.447 ( 2.863 0.000 2.380) 3.723 14.557 ( -4.906 0.000 -6.867) 8.440 14.641 ( -2.895 0.000 1.779) 3.398 14.764 ( 3.172 0.000 -4.965) 5.892 14.854 ( -1.030 0.000 6.009) 6.096 15.025 ( 2.827 0.000 -2.152) 3.553 16.202 ( -2.956 0.000 -2.981) 4.198 16.383 ( 3.402 0.000 -11.601) 12.089 16.462 ( -5.139 0.000 -4.053) 6.544 16.548 ( 4.033 0.000 -7.851) 8.826 16.953 ( -0.760 0.000 2.569) 2.679 16.954 ( 1.463 0.000 -2.099) 2.559 17.108 ( -1.717 0.000 -1.865) 2.535 17.224 ( 4.001 0.000 -4.848) 6.286 17.375 ( -3.846 0.000 3.818) 5.419 17.467 ( -0.396 0.000 -1.849) 1.890 17.502 ( 0.708 0.000 3.122) 3.201 17.550 ( 0.654 0.000 0.798) 1.031 17.661 ( -2.615 0.000 7.201) 7.661 17.803 ( 0.881 0.000 -0.910) 1.267 17.822 ( -0.817 0.000 -1.285) 1.523 17.884 ( 3.263 0.000 -3.029) 4.452 17.896 ( -2.606 0.000 -1.670) 3.095 17.907 ( -0.287 0.000 -2.130) 2.149 17.933 ( -1.604 0.000 5.439) 5.671 18.154 ( 1.086 0.000 0.958) 1.448 18.240 ( -0.409 0.000 -0.359) 0.544 18.261 ( 1.832 0.000 2.210) 2.870 18.431 ( -1.239 0.000 3.503) 3.715 18.458 ( 0.538 0.000 3.925) 3.961 18.589 ( -1.637 0.000 2.453) 2.949 18.695 ( 1.371 0.000 -2.395) 2.760 18.939 ( -0.840 0.000 6.406) 6.461 18.974 ( -1.968 0.000 3.538) 4.049 20.054 ( -2.247 0.000 -0.267) 2.263 20.057 ( 1.022 0.000 -0.456) 1.119 20.079 ( 1.288 0.000 -0.028) 1.289 20.080 ( -0.613 0.000 -0.070) 0.617 20.112 ( 0.371 0.000 0.425) 0.564 20.115 ( -0.448 0.000 0.295) 0.537 22.133 ( 0.038 0.000 -0.158) 0.162 22.136 ( 0.970 0.000 0.438) 1.065 22.143 ( 0.560 0.000 -0.262) 0.619 22.161 ( -0.470 0.000 -0.457) 0.656 22.216 ( -0.155 0.000 0.941) 0.953 22.224 ( -1.266 0.000 0.741) 1.467 27.005 ( -0.314 0.000 1.648) 1.678 27.076 ( -0.406 0.000 2.074) 2.113 27.081 ( 0.094 0.000 -1.691) 1.694 27.120 ( 0.113 0.000 -0.075) 0.136 27.595 ( -0.710 0.000 2.920) 3.005 27.650 ( -0.775 0.000 1.653) 1.825 27.671 ( -0.071 0.000 0.860) 0.863 27.674 ( -0.842 0.000 0.206) 0.867 27.769 ( 1.544 0.000 -1.143) 1.921 27.823 ( 0.841 0.000 -2.995) 3.111 28.047 ( 0.186 0.000 0.478) 0.513 28.055 ( 0.309 0.000 -0.034) 0.310 36.587 ( 0.656 0.000 0.146) 0.672 36.675 ( 0.800 0.000 -4.504) 4.575 37.075 ( 0.384 0.000 5.885) 5.898 37.093 ( 1.136 0.000 3.129) 3.329 37.159 ( 0.779 0.000 -0.279) 0.827 37.246 ( -1.543 0.000 3.540) 3.862 37.300 ( -0.919 0.000 5.025) 5.108 37.303 ( -1.569 0.000 -3.073) 3.450 37.579 ( 1.867 0.000 5.857) 6.147 37.585 ( -0.626 0.000 6.513) 6.543 37.978 ( 2.833 0.000 0.745) 2.929 38.022 ( -4.016 0.000 0.541) 4.052 38.167 ( 0.067 0.000 2.505) 2.506 38.188 ( -1.439 0.000 -3.347) 3.643 38.298 ( 0.268 0.000 -8.205) 8.210 38.325 ( 1.558 0.000 16.499) 16.572 38.666 ( -1.784 0.000 -19.954) 20.034 39.129 ( -0.715 0.000 -21.101) 21.113 40.209 ( 1.381 0.000 13.344) 13.415 40.330 ( 0.854 0.000 7.872) 7.918 40.661 ( 0.536 0.000 -2.516) 2.572 40.762 ( 0.185 0.000 -6.773) 6.776 41.058 ( -4.044 0.000 0.473) 4.072 41.184 ( 6.197 0.000 -4.825) 7.853 ======================= Grid point 106 (50/96) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 20.634 0.000 15.170) 25.611 1.225 ( 5.244 0.000 14.128) 15.070 1.764 ( 2.518 0.000 -0.309) 2.536 1.768 ( 15.093 0.000 -12.269) 19.451 1.935 ( 9.280 0.000 -12.057) 15.215 2.071 ( 6.968 0.000 0.373) 6.978 2.261 ( 2.763 0.000 2.432) 3.681 2.386 ( 6.620 0.000 1.093) 6.710 2.525 ( -6.841 0.000 -5.437) 8.738 2.683 ( 3.720 0.000 0.962) 3.843 2.878 ( 1.646 0.000 25.825) 25.877 2.898 ( 1.171 0.000 -4.112) 4.275 3.131 ( 2.561 0.000 0.842) 2.696 3.231 ( -5.273 0.000 -4.054) 6.651 3.394 ( -4.826 0.000 6.508) 8.102 3.418 ( 0.294 0.000 -2.797) 2.812 3.599 ( -8.513 0.000 0.603) 8.534 3.672 ( -2.039 0.000 -3.559) 4.101 3.728 ( 1.246 0.000 -6.802) 6.915 3.788 ( -7.404 0.000 -11.611) 13.771 3.793 ( -4.491 0.000 2.359) 5.073 4.058 ( 9.234 0.000 -5.093) 10.546 4.178 ( 3.324 0.000 3.867) 5.099 4.187 ( -0.314 0.000 2.414) 2.434 4.259 ( 1.443 0.000 5.550) 5.735 4.317 ( 5.470 0.000 2.406) 5.975 4.454 ( -1.606 0.000 -0.410) 1.657 4.462 ( -0.825 0.000 7.935) 7.978 4.485 ( 6.730 0.000 -1.208) 6.837 4.698 ( 6.464 0.000 3.074) 7.157 4.734 ( 7.131 0.000 -5.308) 8.890 4.736 ( -2.282 0.000 0.504) 2.337 4.951 ( 3.190 0.000 7.370) 8.031 4.967 ( 1.593 0.000 -4.402) 4.681 5.115 ( 1.042 0.000 4.684) 4.798 5.213 ( 4.932 0.000 2.214) 5.406 5.249 ( 4.018 0.000 0.047) 4.018 5.471 ( 2.199 0.000 -12.098) 12.296 5.512 ( 2.171 0.000 4.574) 5.063 5.602 ( -4.337 0.000 -4.141) 5.997 5.687 ( 8.946 0.000 0.054) 8.946 5.758 ( -1.182 0.000 5.223) 5.355 5.872 ( 0.529 0.000 2.687) 2.738 5.873 ( 8.328 0.000 0.547) 8.346 5.963 ( -0.604 0.000 9.860) 9.879 6.057 ( 7.667 0.000 -4.829) 9.061 6.108 ( -0.249 0.000 1.519) 1.539 6.152 ( -4.029 0.000 3.164) 5.123 6.192 ( 8.461 0.000 -7.036) 11.004 6.268 ( 5.940 0.000 -2.698) 6.524 6.477 ( 0.380 0.000 14.032) 14.038 6.527 ( 2.789 0.000 -2.404) 3.682 6.532 ( 15.990 0.000 -1.509) 16.061 6.594 ( 4.469 0.000 0.115) 4.471 6.831 ( 3.895 0.000 -4.395) 5.872 6.976 ( -2.386 0.000 0.671) 2.478 7.020 ( 3.668 0.000 -13.067) 13.572 7.066 ( -2.474 0.000 -6.629) 7.076 7.099 ( -2.601 0.000 -3.390) 4.273 7.128 ( 3.806 0.000 -3.594) 5.235 7.210 ( 2.909 0.000 6.484) 7.107 7.236 ( 4.520 0.000 2.309) 5.075 7.350 ( 1.933 0.000 2.327) 3.025 7.367 ( -0.729 0.000 2.030) 2.157 7.425 ( 2.854 0.000 5.807) 6.471 7.509 ( 0.697 0.000 -5.151) 5.198 7.673 ( 2.098 0.000 0.975) 2.314 7.684 ( 6.811 0.000 5.937) 9.035 7.865 ( 1.490 0.000 2.952) 3.307 7.955 ( -3.041 0.000 -3.855) 4.910 7.983 ( 2.468 0.000 -2.617) 3.597 8.014 ( -0.616 0.000 4.686) 4.726 8.068 ( -0.921 0.000 2.301) 2.479 8.091 ( 1.596 0.000 1.640) 2.288 8.158 ( -2.719 0.000 5.661) 6.280 8.212 ( -1.752 0.000 -3.101) 3.562 8.352 ( 3.017 0.000 -5.379) 6.168 8.371 ( 6.137 0.000 1.867) 6.415 8.549 ( -0.110 0.000 2.672) 2.674 8.614 ( 1.469 0.000 1.305) 1.965 8.635 ( -2.717 0.000 -9.211) 9.604 8.676 ( 1.472 0.000 1.420) 2.045 8.742 ( -1.091 0.000 3.575) 3.737 8.767 ( 0.594 0.000 -6.343) 6.371 8.868 ( -0.511 0.000 0.815) 0.962 8.963 ( -0.353 0.000 -0.917) 0.983 9.115 ( -0.331 0.000 0.276) 0.431 9.152 ( -4.628 0.000 -4.096) 6.180 9.228 ( 1.706 0.000 0.752) 1.865 9.245 ( -0.224 0.000 0.785) 0.816 9.258 ( -3.674 0.000 -1.574) 3.997 9.318 ( -0.464 0.000 -6.685) 6.701 9.419 ( -1.444 0.000 1.603) 2.157 9.426 ( -0.996 0.000 -3.945) 4.069 9.716 ( -2.982 0.000 -1.218) 3.221 9.743 ( -3.136 0.000 1.970) 3.703 9.841 ( -1.024 0.000 0.514) 1.146 9.846 ( -2.376 0.000 -0.985) 2.572 10.023 ( -2.582 0.000 4.105) 4.849 10.125 ( -3.820 0.000 -2.747) 4.705 10.192 ( -0.110 0.000 0.891) 0.898 10.196 ( 1.276 0.000 0.971) 1.603 10.419 ( -0.882 0.000 4.123) 4.216 10.485 ( -4.159 0.000 -0.685) 4.215 10.650 ( -7.792 0.000 -3.056) 8.370 10.743 ( 1.463 0.000 6.027) 6.202 10.950 ( -8.211 0.000 -5.194) 9.715 11.040 ( -3.963 0.000 -2.882) 4.900 11.144 ( -5.986 0.000 -0.261) 5.991 11.221 ( -13.192 0.000 -1.613) 13.290 11.394 ( -5.814 0.000 -3.557) 6.816 11.498 ( -6.568 0.000 -0.589) 6.594 11.844 ( -3.987 0.000 4.736) 6.191 11.967 ( -6.406 0.000 7.331) 9.735 12.107 ( 1.561 0.000 8.124) 8.272 12.401 ( -5.159 0.000 -1.539) 5.383 12.434 ( 1.629 0.000 -8.717) 8.867 12.579 ( -10.962 0.000 -0.122) 10.962 12.652 ( 13.700 0.000 0.056) 13.700 13.275 ( 15.198 0.000 -9.412) 17.876 13.985 ( -2.963 0.000 11.063) 11.453 14.278 ( -6.014 0.000 -10.441) 12.049 14.398 ( -7.611 0.000 -1.390) 7.737 14.469 ( -2.657 0.000 3.107) 4.088 14.595 ( -3.205 0.000 1.520) 3.547 14.785 ( 2.914 0.000 -4.126) 5.052 14.864 ( -2.453 0.000 4.629) 5.239 15.041 ( 1.470 0.000 -3.342) 3.651 16.166 ( 0.618 0.000 -1.152) 1.307 16.363 ( -3.442 0.000 -0.614) 3.497 16.393 ( 6.313 0.000 -8.806) 10.835 16.576 ( 4.768 0.000 -5.625) 7.374 16.967 ( 0.571 0.000 1.271) 1.394 16.989 ( 2.812 0.000 0.940) 2.965 17.062 ( -1.667 0.000 -1.369) 2.157 17.258 ( 4.221 0.000 -5.949) 7.294 17.356 ( -2.080 0.000 5.305) 5.698 17.454 ( 0.083 0.000 -0.719) 0.724 17.522 ( -1.506 0.000 4.021) 4.294 17.564 ( 0.876 0.000 -0.593) 1.058 17.658 ( -2.494 0.000 4.127) 4.822 17.767 ( -3.309 0.000 -1.236) 3.532 17.787 ( -1.801 0.000 -0.975) 2.047 17.860 ( -2.814 0.000 3.245) 4.295 17.877 ( -0.887 0.000 -1.793) 2.001 17.922 ( 2.894 0.000 -3.179) 4.299 17.923 ( -2.903 0.000 6.185) 6.832 18.149 ( -0.539 0.000 -5.183) 5.211 18.222 ( -1.200 0.000 0.729) 1.404 18.297 ( 0.993 0.000 0.643) 1.183 18.418 ( -3.594 0.000 5.074) 6.218 18.480 ( -0.264 0.000 1.575) 1.597 18.576 ( -1.813 0.000 1.898) 2.625 18.706 ( 1.738 0.000 -2.103) 2.728 18.935 ( -4.450 0.000 5.865) 7.362 18.948 ( -3.145 0.000 2.514) 4.026 20.159 ( 11.542 0.000 -0.460) 11.551 20.170 ( 11.289 0.000 -0.181) 11.290 20.191 ( 11.101 0.000 -0.054) 11.101 20.213 ( 11.031 0.000 0.237) 11.033 20.230 ( 14.693 0.000 2.227) 14.861 20.297 ( 21.827 0.000 -6.996) 22.921 22.102 ( -3.308 0.000 -0.316) 3.323 22.120 ( -2.643 0.000 -0.803) 2.762 22.129 ( -2.670 0.000 -1.057) 2.871 22.138 ( -1.566 0.000 0.789) 1.754 22.198 ( -2.444 0.000 0.920) 2.612 22.215 ( -0.984 0.000 1.621) 1.896 27.017 ( 0.023 0.000 1.946) 1.946 27.073 ( 0.513 0.000 -1.771) 1.844 27.080 ( -0.723 0.000 1.724) 1.869 27.120 ( 0.058 0.000 -0.308) 0.313 27.598 ( -1.387 0.000 2.843) 3.163 27.638 ( -1.980 0.000 1.143) 2.286 27.656 ( -1.091 0.000 0.436) 1.175 27.663 ( -1.472 0.000 0.933) 1.743 27.789 ( 1.697 0.000 -1.329) 2.156 27.815 ( 0.793 0.000 -3.028) 3.130 28.036 ( -1.598 0.000 0.272) 1.621 28.045 ( -1.297 0.000 -0.235) 1.318 36.615 ( 2.200 0.000 0.265) 2.216 36.670 ( 2.364 0.000 -4.478) 5.064 37.117 ( 1.633 0.000 2.982) 3.400 37.184 ( 2.620 0.000 -1.473) 3.005 37.197 ( 5.511 0.000 6.387) 8.437 37.241 ( 0.881 0.000 -3.165) 3.285 37.296 ( 1.020 0.000 2.737) 2.921 37.318 ( 0.144 0.000 2.611) 2.615 37.643 ( 1.508 0.000 6.437) 6.611 37.660 ( 2.304 0.000 4.719) 5.251 37.951 ( -3.622 0.000 -0.643) 3.679 38.047 ( 3.807 0.000 1.592) 4.126 38.152 ( -0.414 0.000 -2.142) 2.182 38.213 ( 3.497 0.000 1.788) 3.928 38.267 ( 0.367 0.000 -1.079) 1.140 38.465 ( -4.621 0.000 -14.682) 15.392 38.478 ( 0.997 0.000 15.283) 15.315 38.928 ( -3.919 0.000 -21.131) 21.491 40.220 ( -9.155 0.000 8.802) 12.700 40.320 ( -7.735 0.000 5.170) 9.304 40.467 ( -22.664 0.000 6.069) 23.462 40.561 ( -15.444 0.000 -9.617) 18.193 40.827 ( -22.192 0.000 -0.850) 22.208 40.986 ( -19.094 0.000 0.165) 19.095 ======================= Grid point 107 (51/96) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 11.809 0.000 10.548) 15.834 1.688 ( 18.153 0.000 9.699) 20.582 1.819 ( 9.677 0.000 -7.313) 12.130 1.966 ( 16.017 0.000 -13.519) 20.960 2.062 ( 10.203 0.000 -1.227) 10.277 2.077 ( 1.931 0.000 -15.291) 15.413 2.430 ( -0.558 0.000 6.995) 7.018 2.459 ( 9.401 0.000 7.119) 11.792 2.495 ( 2.565 0.000 3.085) 4.012 2.712 ( 4.706 0.000 -4.781) 6.708 2.955 ( 8.793 0.000 -4.308) 9.792 3.032 ( -1.287 0.000 3.632) 3.853 3.118 ( -5.364 0.000 -1.078) 5.471 3.124 ( -5.929 0.000 2.283) 6.353 3.324 ( -6.161 0.000 3.423) 7.048 3.365 ( -2.860 0.000 1.393) 3.181 3.512 ( -4.182 0.000 5.316) 6.763 3.585 ( -1.535 0.000 -14.816) 14.896 3.700 ( 0.025 0.000 -5.043) 5.043 3.743 ( -5.888 0.000 8.755) 10.551 3.751 ( 5.859 0.000 9.859) 11.469 4.079 ( -8.012 0.000 -4.542) 9.210 4.164 ( 4.360 0.000 -1.942) 4.773 4.199 ( -3.701 0.000 3.114) 4.837 4.205 ( -3.947 0.000 -3.789) 5.471 4.343 ( -0.868 0.000 -3.558) 3.662 4.550 ( 8.750 0.000 1.069) 8.815 4.615 ( 7.788 0.000 8.822) 11.768 4.617 ( 7.573 0.000 -2.817) 8.080 4.715 ( 1.226 0.000 0.946) 1.549 4.798 ( 3.638 0.000 -4.338) 5.661 4.856 ( 6.071 0.000 9.211) 11.032 4.991 ( 4.812 0.000 -3.156) 5.755 5.120 ( 4.613 0.000 3.225) 5.628 5.174 ( 7.803 0.000 5.652) 9.635 5.327 ( 4.649 0.000 -1.045) 4.765 5.361 ( 7.281 0.000 5.443) 9.091 5.453 ( 4.487 0.000 -8.486) 9.600 5.506 ( -0.819 0.000 -8.623) 8.662 5.604 ( 4.958 0.000 4.656) 6.802 5.800 ( 1.073 0.000 3.762) 3.912 5.847 ( 6.353 0.000 2.088) 6.687 5.916 ( 3.040 0.000 0.888) 3.167 6.008 ( 1.144 0.000 3.603) 3.781 6.014 ( 7.105 0.000 0.145) 7.106 6.136 ( -1.378 0.000 0.443) 1.447 6.152 ( 7.710 0.000 -5.047) 9.215 6.224 ( 7.895 0.000 11.154) 13.666 6.369 ( 15.569 0.000 -2.061) 15.705 6.371 ( 7.333 0.000 -1.561) 7.497 6.529 ( 3.695 0.000 -9.654) 10.337 6.624 ( 4.704 0.000 12.227) 13.101 6.663 ( -0.106 0.000 6.365) 6.366 6.809 ( 10.182 0.000 -0.633) 10.202 6.945 ( 5.142 0.000 -3.494) 6.217 6.951 ( 11.094 0.000 -3.743) 11.708 6.988 ( 2.187 0.000 -10.857) 11.075 7.018 ( -3.483 0.000 1.312) 3.722 7.033 ( 3.046 0.000 -6.586) 7.257 7.155 ( 6.844 0.000 -5.940) 9.062 7.263 ( 1.475 0.000 2.260) 2.699 7.314 ( 0.704 0.000 3.432) 3.504 7.405 ( 3.712 0.000 -1.442) 3.982 7.436 ( 1.879 0.000 12.215) 12.359 7.557 ( 7.773 0.000 0.153) 7.775 7.660 ( 14.321 0.000 5.420) 15.313 7.724 ( 4.765 0.000 -2.665) 5.460 7.813 ( 2.833 0.000 2.259) 3.623 7.869 ( -0.334 0.000 -1.086) 1.136 7.885 ( 0.850 0.000 -4.623) 4.701 8.041 ( -2.787 0.000 8.145) 8.609 8.066 ( 2.612 0.000 7.463) 7.906 8.101 ( 4.217 0.000 -1.073) 4.351 8.142 ( -0.421 0.000 7.497) 7.508 8.144 ( -1.007 0.000 4.154) 4.274 8.185 ( 1.747 0.000 -2.693) 3.210 8.396 ( 6.999 0.000 -5.972) 9.200 8.451 ( -6.981 0.000 -6.979) 9.871 8.496 ( 5.228 0.000 -3.308) 6.187 8.576 ( 0.747 0.000 -1.000) 1.248 8.588 ( -2.985 0.000 -1.657) 3.414 8.721 ( -0.391 0.000 3.698) 3.718 8.739 ( 0.010 0.000 -1.392) 1.392 8.768 ( 1.592 0.000 2.658) 3.098 8.875 ( -2.724 0.000 5.306) 5.964 8.961 ( 2.088 0.000 -1.146) 2.382 9.026 ( -7.176 0.000 -1.264) 7.286 9.146 ( 0.959 0.000 2.257) 2.452 9.150 ( -6.833 0.000 -1.772) 7.059 9.208 ( -1.042 0.000 -4.481) 4.600 9.257 ( 0.692 0.000 -0.327) 0.765 9.273 ( 0.853 0.000 -5.790) 5.852 9.377 ( -2.031 0.000 -1.191) 2.355 9.407 ( -1.330 0.000 1.645) 2.115 9.616 ( -6.727 0.000 -2.007) 7.020 9.662 ( -7.465 0.000 0.582) 7.487 9.796 ( -4.475 0.000 2.033) 4.915 9.800 ( -2.169 0.000 0.149) 2.174 9.971 ( -5.942 0.000 -0.140) 5.944 10.028 ( -4.323 0.000 -3.505) 5.565 10.171 ( -3.388 0.000 0.317) 3.403 10.194 ( -2.074 0.000 0.380) 2.109 10.381 ( -4.633 0.000 -1.962) 5.032 10.403 ( -4.718 0.000 1.820) 5.057 10.514 ( -5.263 0.000 -3.324) 6.224 10.705 ( -14.073 0.000 4.488) 14.771 10.750 ( -10.020 0.000 -4.040) 10.804 10.906 ( -3.057 0.000 -0.206) 3.064 10.923 ( -17.746 0.000 1.806) 17.838 11.060 ( -5.665 0.000 -1.774) 5.936 11.209 ( -10.542 0.000 -5.898) 12.080 11.368 ( -5.599 0.000 -0.256) 5.605 11.769 ( -6.812 0.000 -0.308) 6.819 11.941 ( -3.094 0.000 5.812) 6.584 12.113 ( -17.698 0.000 -6.133) 18.730 12.236 ( 3.924 0.000 8.981) 9.801 12.465 ( 4.354 0.000 -2.240) 4.896 12.547 ( 2.685 0.000 2.229) 3.490 12.800 ( 4.648 0.000 -5.068) 6.877 13.363 ( 4.256 0.000 -10.206) 11.057 14.003 ( -4.060 0.000 10.544) 11.299 14.100 ( -5.914 0.000 -4.465) 7.411 14.301 ( -1.717 0.000 -2.909) 3.378 14.416 ( -5.574 0.000 3.653) 6.664 14.557 ( -2.692 0.000 1.934) 3.315 14.804 ( 2.441 0.000 -3.387) 4.175 14.835 ( -3.729 0.000 2.303) 4.383 15.028 ( 0.526 0.000 -5.054) 5.081 16.198 ( 2.522 0.000 1.416) 2.892 16.332 ( -0.706 0.000 1.322) 1.498 16.466 ( 7.730 0.000 -5.552) 9.517 16.625 ( 4.491 0.000 -3.415) 5.642 16.982 ( 1.381 0.000 -2.443) 2.806 17.042 ( -0.546 0.000 1.649) 1.737 17.058 ( 3.664 0.000 1.759) 4.064 17.276 ( 3.432 0.000 -7.475) 8.225 17.377 ( -0.493 0.000 6.090) 6.110 17.459 ( 0.369 0.000 0.630) 0.730 17.514 ( -3.014 0.000 5.025) 5.860 17.569 ( 0.998 0.000 -2.977) 3.140 17.634 ( -2.775 0.000 1.754) 3.283 17.699 ( -3.845 0.000 0.530) 3.881 17.756 ( -0.836 0.000 -0.450) 0.950 17.840 ( -2.866 0.000 5.405) 6.118 17.851 ( -1.596 0.000 1.230) 2.015 17.930 ( -1.467 0.000 5.316) 5.515 17.937 ( 1.926 0.000 -4.252) 4.668 18.069 ( -1.548 0.000 -9.478) 9.603 18.210 ( -0.628 0.000 -0.230) 0.669 18.307 ( 0.491 0.000 -1.307) 1.396 18.389 ( -3.785 0.000 4.698) 6.033 18.472 ( -0.791 0.000 -1.040) 1.307 18.556 ( -2.177 0.000 2.499) 3.314 18.723 ( 1.829 0.000 -1.767) 2.543 18.888 ( -5.200 0.000 5.244) 7.385 18.908 ( -2.774 0.000 1.016) 2.954 20.421 ( 18.008 0.000 -1.138) 18.044 20.431 ( 17.769 0.000 0.339) 17.772 20.442 ( 17.564 0.000 -0.867) 17.586 20.476 ( 17.838 0.000 1.596) 17.909 20.625 ( 23.674 0.000 8.859) 25.277 20.633 ( 23.253 0.000 -11.433) 25.912 22.013 ( -6.611 0.000 -0.517) 6.631 22.036 ( -6.180 0.000 -1.110) 6.278 22.047 ( -5.694 0.000 -1.648) 5.928 22.093 ( -4.348 0.000 0.894) 4.439 22.148 ( -4.370 0.000 1.137) 4.515 22.209 ( -1.410 0.000 2.447) 2.824 27.032 ( -0.007 0.000 1.971) 1.971 27.073 ( 1.039 0.000 -1.676) 1.972 27.076 ( -1.072 0.000 1.315) 1.696 27.118 ( 0.134 0.000 -0.722) 0.734 27.590 ( -1.769 0.000 2.569) 3.119 27.605 ( -2.103 0.000 0.414) 2.144 27.638 ( -2.132 0.000 1.114) 2.405 27.642 ( -1.198 0.000 0.974) 1.544 27.807 ( 1.652 0.000 -1.715) 2.381 27.808 ( 1.002 0.000 -2.742) 2.920 28.000 ( -2.519 0.000 -0.046) 2.519 28.011 ( -2.124 0.000 -0.529) 2.188 36.665 ( 3.321 0.000 0.179) 3.326 36.689 ( 3.662 0.000 -4.538) 5.831 37.177 ( 2.651 0.000 2.368) 3.554 37.203 ( 1.219 0.000 -4.896) 5.046 37.256 ( 4.150 0.000 -2.320) 4.755 37.310 ( 0.676 0.000 3.529) 3.593 37.367 ( 3.653 0.000 3.618) 5.142 37.412 ( 9.576 0.000 5.194) 10.894 37.718 ( 3.353 0.000 1.000) 3.499 37.724 ( 2.950 0.000 0.409) 2.978 37.891 ( -2.773 0.000 -0.206) 2.781 38.111 ( -3.740 0.000 -1.699) 4.108 38.117 ( 2.118 0.000 1.828) 2.798 38.304 ( 4.224 0.000 2.615) 4.967 38.321 ( -0.243 0.000 -5.452) 5.458 38.321 ( 5.599 0.000 4.165) 6.978 38.608 ( 0.127 0.000 15.098) 15.099 38.697 ( -4.727 0.000 -18.902) 19.484 40.038 ( -17.505 0.000 4.403) 18.050 40.046 ( -30.874 0.000 14.766) 34.223 40.091 ( -24.570 0.000 -13.906) 28.232 40.149 ( -18.133 0.000 0.045) 18.133 40.313 ( -30.590 0.000 -4.238) 30.883 40.619 ( -23.107 0.000 0.247) 23.108 ======================= Grid point 108 (52/96) ======================= q-point: ( 0.30 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 13.618 0.000 1.160) 13.667 1.853 ( 7.726 0.000 -4.409) 8.895 1.966 ( 1.376 0.000 -7.002) 7.136 2.070 ( 12.870 0.000 -5.940) 14.174 2.166 ( 12.668 0.000 -7.688) 14.818 2.275 ( 12.913 0.000 5.898) 14.196 2.472 ( 3.831 0.000 -0.380) 3.850 2.509 ( -3.282 0.000 3.057) 4.485 2.637 ( 0.624 0.000 4.224) 4.270 2.735 ( -0.053 0.000 -7.289) 7.289 2.907 ( -7.231 0.000 -8.829) 11.412 3.035 ( -1.194 0.000 2.300) 2.592 3.036 ( -3.275 0.000 1.941) 3.807 3.113 ( 5.764 0.000 -2.282) 6.200 3.312 ( 5.832 0.000 2.200) 6.233 3.380 ( -1.411 0.000 9.457) 9.562 3.418 ( -4.273 0.000 0.633) 4.319 3.606 ( 9.087 0.000 -8.747) 12.613 3.611 ( -6.274 0.000 -4.406) 7.666 3.696 ( -8.119 0.000 6.569) 10.444 3.890 ( -8.101 0.000 -0.374) 8.109 3.904 ( -0.034 0.000 10.797) 10.797 4.067 ( -3.173 0.000 -6.248) 7.007 4.142 ( -4.879 0.000 -0.400) 4.895 4.256 ( 3.036 0.000 9.002) 9.500 4.387 ( 7.908 0.000 -3.795) 8.771 4.624 ( 1.288 0.000 -1.881) 2.280 4.699 ( 4.654 0.000 -0.255) 4.661 4.759 ( 1.787 0.000 -3.512) 3.941 4.810 ( 3.288 0.000 1.604) 3.659 4.836 ( 9.989 0.000 -1.649) 10.124 5.030 ( 1.485 0.000 15.826) 15.896 5.084 ( 7.281 0.000 -2.174) 7.599 5.178 ( 5.584 0.000 -2.552) 6.139 5.371 ( 3.310 0.000 -4.206) 5.353 5.405 ( -0.901 0.000 -7.545) 7.599 5.406 ( 8.460 0.000 5.729) 10.217 5.523 ( 6.367 0.000 5.696) 8.543 5.572 ( 9.541 0.000 0.636) 9.562 5.735 ( 3.620 0.000 4.834) 6.039 5.830 ( 1.092 0.000 1.525) 1.876 5.913 ( -1.363 0.000 7.042) 7.173 5.970 ( 2.551 0.000 -0.466) 2.594 6.091 ( -1.338 0.000 -2.468) 2.807 6.093 ( 6.566 0.000 -2.641) 7.077 6.141 ( 5.459 0.000 4.972) 7.384 6.253 ( 7.162 0.000 -3.825) 8.119 6.424 ( -0.794 0.000 -3.541) 3.629 6.483 ( 10.663 0.000 9.275) 14.133 6.547 ( 5.914 0.000 -7.357) 9.440 6.666 ( 15.606 0.000 -1.210) 15.653 6.689 ( -3.852 0.000 -3.627) 5.291 6.718 ( 2.780 0.000 2.800) 3.946 6.809 ( -5.997 0.000 1.033) 6.085 6.951 ( 7.136 0.000 12.248) 14.175 7.025 ( 5.409 0.000 -11.352) 12.575 7.089 ( 8.608 0.000 0.027) 8.608 7.157 ( 10.110 0.000 4.251) 10.968 7.194 ( 10.124 0.000 2.158) 10.352 7.214 ( 4.469 0.000 -3.436) 5.638 7.345 ( 9.287 0.000 -0.287) 9.291 7.428 ( 8.879 0.000 -4.624) 10.011 7.469 ( 8.065 0.000 -2.376) 8.407 7.563 ( 4.108 0.000 7.456) 8.513 7.677 ( 2.390 0.000 4.793) 5.356 7.775 ( 5.533 0.000 -8.713) 10.321 7.856 ( 2.443 0.000 0.154) 2.448 7.862 ( 0.079 0.000 3.450) 3.451 7.912 ( 7.940 0.000 2.173) 8.232 7.924 ( 3.680 0.000 -1.061) 3.830 8.020 ( -5.160 0.000 6.784) 8.524 8.067 ( -4.024 0.000 4.226) 5.836 8.192 ( -1.137 0.000 5.198) 5.321 8.201 ( -0.530 0.000 -5.929) 5.952 8.220 ( 5.331 0.000 -1.912) 5.663 8.236 ( 1.948 0.000 4.121) 4.558 8.291 ( 5.562 0.000 0.274) 5.569 8.456 ( 0.094 0.000 1.119) 1.123 8.549 ( 2.228 0.000 -3.845) 4.444 8.574 ( 0.969 0.000 -2.736) 2.903 8.574 ( 5.850 0.000 -2.061) 6.203 8.723 ( -0.938 0.000 2.119) 2.317 8.744 ( -0.504 0.000 2.711) 2.758 8.789 ( -1.700 0.000 -1.346) 2.169 8.839 ( -5.974 0.000 3.880) 7.124 8.925 ( -4.115 0.000 7.844) 8.858 9.001 ( 0.624 0.000 0.566) 0.842 9.022 ( -5.067 0.000 -1.509) 5.287 9.121 ( -2.632 0.000 -4.044) 4.826 9.138 ( -3.384 0.000 0.662) 3.448 9.256 ( 1.288 0.000 -4.565) 4.743 9.277 ( 1.872 0.000 -4.332) 4.719 9.353 ( -0.283 0.000 1.362) 1.391 9.392 ( -0.452 0.000 -7.030) 7.045 9.500 ( -11.333 0.000 1.250) 11.402 9.501 ( -4.416 0.000 5.950) 7.409 9.741 ( -4.292 0.000 4.685) 6.354 9.780 ( 0.076 0.000 0.451) 0.458 9.823 ( -8.602 0.000 -0.735) 8.633 9.931 ( -4.726 0.000 -1.255) 4.890 10.055 ( -9.374 0.000 -1.671) 9.522 10.105 ( -10.151 0.000 1.190) 10.221 10.274 ( -1.073 0.000 -7.749) 7.822 10.321 ( -4.278 0.000 -7.042) 8.239 10.400 ( -8.817 0.000 3.742) 9.578 10.409 ( -18.862 0.000 2.070) 18.975 10.559 ( -7.432 0.000 -2.264) 7.770 10.739 ( -5.557 0.000 7.301) 9.175 10.850 ( -9.260 0.000 -5.463) 10.751 10.936 ( -0.659 0.000 -0.673) 0.942 10.965 ( -10.758 0.000 -7.850) 13.317 11.324 ( -1.352 0.000 2.701) 3.020 11.608 ( -9.148 0.000 -4.222) 10.075 11.812 ( -10.248 0.000 -5.151) 11.469 11.918 ( -3.271 0.000 1.890) 3.778 12.304 ( -3.589 0.000 2.678) 4.478 12.541 ( 4.195 0.000 2.464) 4.865 12.635 ( 3.369 0.000 5.018) 6.044 12.787 ( 1.089 0.000 -3.718) 3.874 13.316 ( -0.421 0.000 -9.016) 9.026 14.001 ( -4.466 0.000 9.367) 10.377 14.031 ( -0.512 0.000 -0.709) 0.875 14.281 ( 2.385 0.000 -4.892) 5.443 14.343 ( -5.731 0.000 3.563) 6.748 14.532 ( -2.049 0.000 2.787) 3.459 14.774 ( -4.031 0.000 0.214) 4.036 14.821 ( 2.517 0.000 -3.880) 4.625 14.986 ( -0.323 0.000 -6.326) 6.334 16.265 ( 2.763 0.000 3.801) 4.699 16.346 ( 0.276 0.000 2.999) 3.012 16.567 ( 7.239 0.000 -3.212) 7.920 16.675 ( 3.642 0.000 -2.520) 4.429 16.984 ( 1.531 0.000 -3.122) 3.477 17.059 ( 0.443 0.000 2.103) 2.149 17.134 ( 3.784 0.000 0.562) 3.826 17.267 ( 2.328 0.000 -8.279) 8.600 17.423 ( 0.308 0.000 6.211) 6.218 17.468 ( 0.134 0.000 0.653) 0.666 17.499 ( -3.267 0.000 6.156) 6.969 17.548 ( -0.019 0.000 -5.334) 5.334 17.592 ( -3.108 0.000 1.619) 3.504 17.642 ( -3.007 0.000 0.308) 3.023 17.764 ( 2.022 0.000 0.492) 2.081 17.843 ( -1.323 0.000 5.189) 5.355 17.847 ( -1.559 0.000 5.402) 5.622 17.925 ( 0.865 0.000 -5.418) 5.486 17.944 ( -1.875 0.000 6.185) 6.463 17.976 ( -0.517 0.000 -9.889) 9.903 18.196 ( -0.362 0.000 -1.125) 1.182 18.294 ( -0.019 0.000 -3.442) 3.442 18.350 ( -3.247 0.000 1.157) 3.447 18.438 ( -1.272 0.000 -3.170) 3.416 18.543 ( -2.013 0.000 4.145) 4.608 18.740 ( 1.536 0.000 -1.707) 2.297 18.839 ( -4.555 0.000 4.806) 6.621 18.870 ( -1.944 0.000 -0.075) 1.945 20.745 ( 20.008 0.000 -2.314) 20.141 20.756 ( 19.898 0.000 -2.628) 20.071 20.788 ( 20.265 0.000 2.596) 20.431 20.838 ( 20.528 0.000 3.394) 20.806 20.935 ( 20.723 0.000 -10.611) 23.281 21.125 ( 22.075 0.000 13.724) 25.993 21.861 ( -10.326 0.000 -0.613) 10.344 21.885 ( -10.064 0.000 -1.276) 10.144 21.905 ( -8.953 0.000 -1.868) 9.146 21.997 ( -7.459 0.000 0.945) 7.518 22.058 ( -7.004 0.000 1.205) 7.107 22.202 ( -1.637 0.000 3.082) 3.490 27.043 ( -0.327 0.000 1.760) 1.790 27.064 ( -1.147 0.000 1.080) 1.575 27.083 ( 1.408 0.000 -1.471) 2.036 27.115 ( 0.233 0.000 -1.155) 1.178 27.577 ( -1.659 0.000 2.190) 2.748 27.579 ( -1.240 0.000 0.555) 1.359 27.610 ( -2.013 0.000 1.311) 2.403 27.629 ( -1.109 0.000 0.969) 1.473 27.812 ( 1.466 0.000 -2.065) 2.533 27.822 ( 1.615 0.000 -1.933) 2.519 27.952 ( -2.585 0.000 -0.448) 2.624 27.967 ( -2.150 0.000 -0.882) 2.324 36.730 ( 4.634 0.000 -4.133) 6.210 36.730 ( 3.832 0.000 0.168) 3.836 37.177 ( 0.755 0.000 -5.560) 5.611 37.229 ( 0.910 0.000 1.789) 2.007 37.326 ( 4.404 0.000 -1.290) 4.589 37.332 ( -0.281 0.000 2.843) 2.856 37.439 ( 2.407 0.000 -2.435) 3.423 37.635 ( 9.074 0.000 1.564) 9.208 37.757 ( 3.774 0.000 -5.296) 6.503 37.789 ( 6.530 0.000 -0.652) 6.562 37.855 ( -1.087 0.000 0.333) 1.137 38.060 ( -2.744 0.000 8.815) 9.232 38.145 ( 0.007 0.000 2.550) 2.550 38.365 ( 4.430 0.000 3.346) 5.552 38.438 ( 8.640 0.000 0.908) 8.687 38.444 ( 2.333 0.000 -0.006) 2.333 38.553 ( 4.941 0.000 -6.479) 8.149 38.710 ( 0.896 0.000 10.615) 10.653 39.426 ( -30.494 0.000 -22.366) 37.817 39.606 ( -31.147 0.000 16.355) 35.180 39.736 ( -23.714 0.000 -7.944) 25.009 39.736 ( -19.343 0.000 -0.138) 19.344 39.867 ( -21.607 0.000 1.377) 21.651 40.184 ( -24.842 0.000 -2.822) 25.002 ======================= Grid point 109 (53/96) ======================= q-point: ( 0.40 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 3.119 0.000 -12.441) 12.826 1.963 ( 7.046 0.000 -3.708) 7.963 2.123 ( 12.102 0.000 2.197) 12.300 2.152 ( 4.617 0.000 -7.558) 8.857 2.290 ( 1.752 0.000 -0.188) 1.762 2.369 ( -9.768 0.000 -7.737) 12.461 2.514 ( 4.506 0.000 -0.098) 4.508 2.522 ( 1.256 0.000 -4.335) 4.513 2.618 ( 2.830 0.000 -0.263) 2.842 2.622 ( -0.570 0.000 -3.810) 3.853 2.798 ( -1.517 0.000 -0.125) 1.522 3.002 ( -4.661 0.000 4.971) 6.815 3.025 ( -1.840 0.000 4.486) 4.849 3.158 ( 0.147 0.000 -5.249) 5.251 3.351 ( -1.469 0.000 1.046) 1.804 3.446 ( -4.418 0.000 0.307) 4.429 3.454 ( -1.306 0.000 8.394) 8.495 3.502 ( -4.528 0.000 -0.834) 4.604 3.533 ( 0.140 0.000 3.927) 3.930 3.740 ( 11.908 0.000 -6.265) 13.455 3.889 ( 3.443 0.000 5.588) 6.564 3.917 ( -0.423 0.000 1.753) 1.803 4.054 ( 2.871 0.000 -1.113) 3.079 4.058 ( -4.730 0.000 4.323) 6.408 4.361 ( -0.559 0.000 9.720) 9.736 4.443 ( 2.174 0.000 -7.812) 8.109 4.678 ( -4.555 0.000 -5.912) 7.463 4.681 ( 6.714 0.000 -0.714) 6.751 4.743 ( 0.236 0.000 0.257) 0.349 4.910 ( 4.551 0.000 2.354) 5.124 4.994 ( 8.643 0.000 -0.650) 8.668 5.092 ( -5.428 0.000 12.090) 13.252 5.177 ( 6.110 0.000 -5.453) 8.190 5.287 ( 6.897 0.000 -2.279) 7.264 5.374 ( 2.831 0.000 -3.608) 4.586 5.431 ( 4.420 0.000 2.495) 5.075 5.494 ( -1.490 0.000 2.883) 3.245 5.645 ( 2.272 0.000 1.977) 3.012 5.738 ( -4.453 0.000 2.621) 5.167 5.759 ( 9.175 0.000 1.457) 9.290 5.910 ( 7.432 0.000 -2.008) 7.698 5.928 ( -1.739 0.000 5.925) 6.175 6.007 ( 1.215 0.000 2.359) 2.653 6.064 ( -3.424 0.000 4.094) 5.337 6.163 ( 4.144 0.000 -4.880) 6.402 6.244 ( -2.130 0.000 7.825) 8.110 6.323 ( 3.094 0.000 -2.421) 3.929 6.424 ( 8.431 0.000 -3.871) 9.277 6.449 ( -11.815 0.000 -5.502) 13.034 6.587 ( 4.197 0.000 -3.722) 5.610 6.675 ( -2.723 0.000 2.950) 4.015 6.712 ( 1.241 0.000 7.819) 7.917 6.783 ( 4.346 0.000 -1.673) 4.657 6.985 ( 7.379 0.000 0.660) 7.409 7.047 ( 4.199 0.000 -6.040) 7.356 7.178 ( 6.157 0.000 -2.029) 6.483 7.210 ( 8.643 0.000 12.825) 15.466 7.234 ( 2.308 0.000 0.519) 2.366 7.341 ( 6.740 0.000 -1.596) 6.926 7.387 ( 7.099 0.000 -1.812) 7.327 7.522 ( 6.944 0.000 3.708) 7.872 7.530 ( 8.400 0.000 -0.457) 8.412 7.638 ( 10.631 0.000 -1.875) 10.795 7.678 ( 2.509 0.000 2.944) 3.868 7.727 ( -1.517 0.000 0.574) 1.622 7.756 ( 1.005 0.000 -10.586) 10.634 7.847 ( -1.021 0.000 -0.403) 1.098 7.909 ( -6.356 0.000 -0.432) 6.371 7.943 ( 8.850 0.000 3.071) 9.367 7.989 ( -3.740 0.000 -1.161) 3.916 7.998 ( 0.526 0.000 0.045) 0.528 8.024 ( 1.390 0.000 2.104) 2.522 8.138 ( 2.358 0.000 0.138) 2.362 8.207 ( 2.310 0.000 1.229) 2.617 8.286 ( 0.849 0.000 0.170) 0.866 8.366 ( 9.476 0.000 5.239) 10.828 8.381 ( -1.256 0.000 -0.720) 1.448 8.477 ( -1.346 0.000 3.432) 3.687 8.539 ( -1.621 0.000 -2.268) 2.788 8.594 ( 4.246 0.000 -1.664) 4.560 8.597 ( -3.661 0.000 -5.364) 6.494 8.699 ( -6.015 0.000 0.906) 6.082 8.722 ( 0.427 0.000 0.002) 0.427 8.772 ( -2.936 0.000 2.310) 3.736 8.804 ( 4.008 0.000 3.789) 5.516 8.956 ( -1.136 0.000 3.693) 3.864 8.972 ( -2.527 0.000 4.192) 4.895 9.030 ( 5.793 0.000 4.231) 7.173 9.069 ( -2.517 0.000 -0.640) 2.597 9.119 ( 2.718 0.000 -1.600) 3.154 9.229 ( -2.997 0.000 -6.785) 7.417 9.233 ( -3.348 0.000 -0.640) 3.408 9.298 ( -8.290 0.000 3.008) 8.819 9.307 ( -1.431 0.000 -4.207) 4.444 9.416 ( 3.921 0.000 2.600) 4.705 9.505 ( -1.288 0.000 0.562) 1.405 9.651 ( -5.269 0.000 0.311) 5.278 9.793 ( -12.266 0.000 1.670) 12.379 9.826 ( 4.154 0.000 2.532) 4.865 9.826 ( 3.290 0.000 9.737) 10.278 9.850 ( -10.375 0.000 -1.295) 10.456 9.945 ( -3.980 0.000 -3.282) 5.159 10.097 ( -13.581 0.000 -2.347) 13.782 10.193 ( -3.051 0.000 -7.305) 7.917 10.214 ( -11.594 0.000 -0.832) 11.624 10.231 ( -3.538 0.000 -3.841) 5.222 10.498 ( -1.354 0.000 1.073) 1.727 10.646 ( -4.058 0.000 -8.850) 9.736 10.749 ( -5.924 0.000 -7.745) 9.751 10.782 ( 1.475 0.000 8.556) 8.682 10.921 ( -0.795 0.000 -3.996) 4.075 11.337 ( -0.331 0.000 3.432) 3.448 11.438 ( -4.641 0.000 -5.207) 6.975 11.675 ( -3.636 0.000 -0.226) 3.643 11.846 ( -4.551 0.000 -2.701) 5.292 12.137 ( -11.549 0.000 -5.854) 12.948 12.649 ( 4.318 0.000 6.611) 7.897 12.720 ( 1.180 0.000 6.305) 6.415 12.850 ( 6.032 0.000 0.912) 6.101 13.241 ( -0.804 0.000 -7.381) 7.424 13.991 ( -3.866 0.000 8.162) 9.031 14.029 ( 0.077 0.000 -0.725) 0.729 14.265 ( -5.708 0.000 2.169) 6.106 14.307 ( 4.730 0.000 -4.970) 6.860 14.532 ( -0.900 0.000 4.348) 4.440 14.707 ( -3.189 0.000 -0.589) 3.243 14.829 ( 2.246 0.000 -5.844) 6.261 14.932 ( 0.003 0.000 -6.832) 6.832 16.342 ( 1.793 0.000 5.640) 5.918 16.381 ( 0.148 0.000 5.278) 5.280 16.658 ( 5.260 0.000 -2.608) 5.871 16.712 ( 2.775 0.000 -3.009) 4.093 16.993 ( 1.484 0.000 -1.920) 2.426 17.079 ( 0.471 0.000 0.906) 1.021 17.185 ( 2.851 0.000 -3.758) 4.717 17.247 ( 2.278 0.000 -6.780) 7.153 17.468 ( -1.126 0.000 6.291) 6.391 17.471 ( -2.236 0.000 1.824) 2.886 17.495 ( -2.291 0.000 6.629) 7.014 17.501 ( 1.837 0.000 -7.130) 7.363 17.562 ( -1.298 0.000 1.556) 2.026 17.597 ( -2.380 0.000 0.351) 2.406 17.821 ( 2.036 0.000 1.786) 2.708 17.870 ( 0.226 0.000 4.799) 4.805 17.872 ( -1.295 0.000 7.683) 7.791 17.896 ( 2.268 0.000 -8.387) 8.689 17.910 ( -0.033 0.000 -5.652) 5.652 17.957 ( -2.343 0.000 7.340) 7.705 18.179 ( -0.933 0.000 -1.030) 1.390 18.253 ( -0.948 0.000 -5.230) 5.316 18.298 ( -1.607 0.000 -2.610) 3.065 18.383 ( -1.423 0.000 -5.011) 5.209 18.547 ( -1.568 0.000 5.123) 5.358 18.750 ( 1.152 0.000 -2.096) 2.392 18.801 ( -3.852 0.000 4.712) 6.086 18.841 ( -1.167 0.000 -0.198) 1.184 21.074 ( 19.111 0.000 -2.197) 19.237 21.079 ( 18.587 0.000 -2.097) 18.705 21.157 ( 18.887 0.000 2.737) 19.084 21.204 ( 17.902 0.000 -7.931) 19.580 21.214 ( 18.575 0.000 3.556) 18.912 21.524 ( 7.784 0.000 9.119) 11.990 21.642 ( -14.107 0.000 -0.509) 14.116 21.666 ( -13.813 0.000 -1.259) 13.870 21.740 ( -4.784 0.000 2.506) 5.401 21.846 ( -10.378 0.000 0.880) 10.415 21.919 ( -9.591 0.000 1.132) 9.657 22.196 ( -1.672 0.000 2.890) 3.339 27.045 ( -0.887 0.000 1.451) 1.700 27.056 ( -0.691 0.000 1.231) 1.412 27.099 ( 1.460 0.000 -1.285) 1.945 27.109 ( 0.309 0.000 -1.461) 1.493 27.567 ( -1.164 0.000 2.121) 2.419 27.570 ( -0.454 0.000 0.884) 0.994 27.588 ( -1.481 0.000 1.295) 1.968 27.619 ( -0.677 0.000 0.890) 1.118 27.830 ( 1.998 0.000 -1.266) 2.366 27.836 ( 1.620 0.000 -1.863) 2.469 27.906 ( -2.033 0.000 -0.864) 2.209 27.924 ( -1.823 0.000 -1.236) 2.203 36.791 ( 5.211 0.000 -2.533) 5.794 36.800 ( 3.750 0.000 0.622) 3.801 37.155 ( 1.098 0.000 -4.628) 4.756 37.216 ( -3.845 0.000 1.101) 3.999 37.326 ( -3.041 0.000 -7.105) 7.728 37.342 ( -0.960 0.000 2.140) 2.345 37.421 ( 1.664 0.000 -4.366) 4.672 37.631 ( -3.314 0.000 -11.374) 11.847 37.786 ( -0.492 0.000 0.790) 0.931 37.928 ( 9.988 0.000 3.582) 10.611 37.938 ( 4.491 0.000 1.163) 4.640 38.124 ( -0.541 0.000 12.021) 12.033 38.236 ( 9.286 0.000 5.688) 10.889 38.405 ( -2.487 0.000 -2.982) 3.883 38.484 ( 3.447 0.000 7.652) 8.393 38.648 ( 13.824 0.000 -0.064) 13.824 38.728 ( 11.461 0.000 1.232) 11.527 38.811 ( 4.261 0.000 5.451) 6.919 38.861 ( -11.092 0.000 -16.409) 19.806 39.200 ( -27.759 0.000 13.462) 30.851 39.322 ( -15.355 0.000 -7.474) 17.078 39.378 ( -18.695 0.000 -4.591) 19.250 39.490 ( -21.108 0.000 -1.503) 21.161 39.743 ( -20.294 0.000 -6.355) 21.266 ======================= Grid point 110 (54/96) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 2.868 0.000 -4.991) 5.757 1.914 ( -9.732 0.000 -10.446) 14.277 2.153 ( -4.752 0.000 -5.311) 7.126 2.184 ( -7.078 0.000 -3.556) 7.921 2.193 ( 3.278 0.000 0.670) 3.346 2.305 ( 7.845 0.000 -3.442) 8.567 2.429 ( -9.270 0.000 -6.205) 11.155 2.473 ( 1.539 0.000 -8.101) 8.246 2.692 ( 3.845 0.000 1.164) 4.017 2.740 ( 6.734 0.000 1.190) 6.839 2.825 ( 1.336 0.000 6.048) 6.194 2.986 ( -1.045 0.000 4.305) 4.430 2.987 ( -7.017 0.000 6.121) 9.312 3.123 ( 4.164 0.000 -4.787) 6.344 3.216 ( -15.251 0.000 4.202) 15.819 3.414 ( 8.828 0.000 -2.692) 9.229 3.447 ( -4.957 0.000 4.954) 7.008 3.470 ( 0.914 0.000 -0.882) 1.270 3.688 ( 3.881 0.000 8.427) 9.278 3.843 ( 0.645 0.000 -1.067) 1.247 3.893 ( -5.295 0.000 3.204) 6.189 3.985 ( 5.026 0.000 -0.510) 5.052 4.079 ( 2.741 0.000 -2.952) 4.028 4.160 ( 10.400 0.000 2.137) 10.617 4.400 ( 1.385 0.000 -7.975) 8.095 4.402 ( -0.467 0.000 6.175) 6.193 4.533 ( -6.755 0.000 -3.500) 7.608 4.692 ( -4.845 0.000 -0.488) 4.870 4.813 ( 5.934 0.000 2.140) 6.308 4.968 ( -2.234 0.000 3.503) 4.155 5.067 ( -3.132 0.000 4.103) 5.162 5.108 ( 3.020 0.000 1.592) 3.413 5.233 ( 5.472 0.000 -4.844) 7.308 5.290 ( -3.363 0.000 -7.973) 8.653 5.452 ( 6.385 0.000 1.073) 6.475 5.460 ( -3.780 0.000 3.759) 5.330 5.523 ( 2.224 0.000 2.929) 3.678 5.616 ( -4.073 0.000 -3.140) 5.142 5.682 ( -4.438 0.000 4.868) 6.587 5.840 ( 0.181 0.000 -0.466) 0.500 5.923 ( -6.002 0.000 2.140) 6.372 5.990 ( 2.368 0.000 2.915) 3.756 6.040 ( 1.293 0.000 0.658) 1.451 6.119 ( 7.093 0.000 3.304) 7.825 6.124 ( -4.730 0.000 -1.020) 4.839 6.200 ( -5.841 0.000 0.836) 5.900 6.310 ( -2.545 0.000 4.808) 5.440 6.363 ( 1.621 0.000 3.758) 4.093 6.546 ( -10.587 0.000 2.049) 10.784 6.582 ( 10.547 0.000 -5.975) 12.122 6.660 ( 3.062 0.000 5.704) 6.474 6.801 ( -0.003 0.000 3.350) 3.350 6.868 ( 7.397 0.000 -3.593) 8.224 6.892 ( -7.882 0.000 -5.695) 9.724 7.075 ( 1.523 0.000 -0.048) 1.524 7.260 ( -6.419 0.000 -5.851) 8.686 7.271 ( -0.923 0.000 4.063) 4.166 7.320 ( 1.126 0.000 0.016) 1.126 7.414 ( 0.207 0.000 -3.079) 3.086 7.446 ( 8.060 0.000 3.492) 8.784 7.585 ( -1.926 0.000 0.542) 2.001 7.588 ( -12.573 0.000 -0.148) 12.574 7.621 ( -2.335 0.000 3.153) 3.923 7.676 ( -4.812 0.000 4.619) 6.670 7.713 ( 0.941 0.000 -4.397) 4.497 7.724 ( 1.205 0.000 1.191) 1.694 7.837 ( 0.945 0.000 -0.162) 0.959 7.927 ( -7.083 0.000 -0.785) 7.126 7.988 ( 10.694 0.000 -5.168) 11.877 8.018 ( 3.648 0.000 -1.967) 4.145 8.023 ( 8.036 0.000 -0.049) 8.036 8.145 ( 7.308 0.000 -3.065) 7.925 8.205 ( 1.193 0.000 1.671) 2.053 8.227 ( -3.754 0.000 1.954) 4.232 8.295 ( -0.393 0.000 0.401) 0.561 8.371 ( 4.961 0.000 2.032) 5.361 8.372 ( -10.486 0.000 0.925) 10.526 8.491 ( -1.829 0.000 -2.993) 3.507 8.505 ( -1.176 0.000 1.544) 1.941 8.586 ( -0.262 0.000 1.226) 1.253 8.603 ( 11.640 0.000 2.103) 11.828 8.679 ( -1.809 0.000 4.031) 4.418 8.742 ( 0.053 0.000 -1.624) 1.625 8.787 ( 0.415 0.000 -0.210) 0.465 8.809 ( -1.466 0.000 -4.016) 4.275 8.881 ( -4.842 0.000 2.902) 5.645 8.940 ( -4.479 0.000 1.153) 4.625 9.096 ( 3.618 0.000 4.429) 5.719 9.124 ( -3.719 0.000 -4.445) 5.796 9.149 ( -0.121 0.000 6.967) 6.968 9.191 ( -1.046 0.000 -0.561) 1.187 9.204 ( 2.311 0.000 3.015) 3.799 9.238 ( 1.770 0.000 -1.337) 2.218 9.278 ( 3.288 0.000 -2.950) 4.417 9.522 ( 1.621 0.000 3.895) 4.219 9.525 ( 7.448 0.000 -2.262) 7.784 9.636 ( -1.956 0.000 3.785) 4.261 9.642 ( -2.034 0.000 0.780) 2.178 9.706 ( 0.217 0.000 -3.081) 3.089 9.816 ( -6.574 0.000 -5.528) 8.589 9.915 ( -3.007 0.000 7.483) 8.064 9.992 ( 1.864 0.000 6.178) 6.453 10.006 ( 6.647 0.000 -0.759) 6.690 10.007 ( -7.423 0.000 2.512) 7.836 10.133 ( 2.018 0.000 -6.067) 6.394 10.139 ( 1.754 0.000 -7.009) 7.225 10.506 ( 3.534 0.000 -1.284) 3.760 10.584 ( 1.358 0.000 -9.119) 9.220 10.651 ( 0.250 0.000 -4.941) 4.947 10.857 ( -0.592 0.000 -7.610) 7.633 10.889 ( 2.237 0.000 9.546) 9.805 11.301 ( -0.299 0.000 -10.051) 10.056 11.432 ( 1.471 0.000 8.265) 8.395 11.687 ( 3.911 0.000 4.084) 5.655 11.733 ( -4.290 0.000 -5.308) 6.825 11.901 ( -8.310 0.000 -7.287) 11.052 12.762 ( -1.759 0.000 6.432) 6.668 12.783 ( 3.764 0.000 9.254) 9.990 12.949 ( 3.742 0.000 -0.947) 3.860 13.178 ( 0.341 0.000 -8.814) 8.820 13.993 ( -2.312 0.000 7.229) 7.590 14.025 ( 0.137 0.000 0.895) 0.906 14.173 ( -5.924 0.000 0.514) 5.946 14.364 ( 5.562 0.000 -4.786) 7.338 14.561 ( -0.113 0.000 5.485) 5.486 14.662 ( -1.614 0.000 0.181) 1.625 14.811 ( 1.265 0.000 -6.581) 6.702 14.893 ( 1.856 0.000 -8.107) 8.317 16.401 ( -0.639 0.000 7.283) 7.311 16.432 ( 0.257 0.000 7.139) 7.143 16.701 ( 2.183 0.000 -3.833) 4.411 16.727 ( 2.184 0.000 -4.774) 5.250 17.002 ( 0.709 0.000 -1.111) 1.318 17.087 ( 0.132 0.000 0.013) 0.133 17.182 ( 1.823 0.000 -6.281) 6.540 17.244 ( 2.842 0.000 -8.183) 8.662 17.415 ( -2.822 0.000 -0.673) 2.901 17.472 ( -3.111 0.000 6.514) 7.219 17.515 ( -1.368 0.000 5.692) 5.854 17.528 ( 3.362 0.000 -1.242) 3.584 17.563 ( 0.804 0.000 -3.938) 4.020 17.576 ( -1.617 0.000 6.559) 6.755 17.802 ( -1.173 0.000 -5.155) 5.287 17.864 ( 0.156 0.000 -3.971) 3.974 17.917 ( -0.971 0.000 8.182) 8.239 17.917 ( 0.730 0.000 4.569) 4.627 17.950 ( 5.045 0.000 0.147) 5.047 17.977 ( -1.492 0.000 8.253) 8.387 18.136 ( -2.555 0.000 -2.205) 3.375 18.186 ( -1.880 0.000 -5.801) 6.098 18.274 ( 1.544 0.000 -3.469) 3.797 18.316 ( -1.289 0.000 -6.665) 6.789 18.561 ( -1.297 0.000 5.269) 5.426 18.748 ( 0.699 0.000 -3.026) 3.105 18.774 ( -3.340 0.000 4.823) 5.866 18.829 ( -0.455 0.000 0.757) 0.883 21.325 ( -1.743 0.000 0.223) 1.757 21.347 ( -3.084 0.000 -0.908) 3.215 21.364 ( 2.278 0.000 -0.421) 2.317 21.368 ( -12.827 0.000 -0.320) 12.831 21.381 ( -4.601 0.000 -0.740) 4.660 21.468 ( 11.365 0.000 -5.396) 12.581 21.485 ( 10.435 0.000 0.353) 10.441 21.494 ( 6.051 0.000 0.232) 6.055 21.699 ( -1.695 0.000 2.224) 2.796 21.752 ( -5.676 0.000 0.021) 5.676 21.928 ( 8.171 0.000 10.351) 13.188 22.183 ( -1.530 0.000 0.710) 1.687 27.039 ( -0.916 0.000 1.496) 1.754 27.054 ( -0.684 0.000 1.252) 1.427 27.104 ( 0.408 0.000 -1.530) 1.583 27.113 ( 1.154 0.000 -1.260) 1.709 27.564 ( -1.361 0.000 2.418) 2.775 27.573 ( -0.036 0.000 1.046) 1.047 27.582 ( -0.111 0.000 1.048) 1.053 27.618 ( -0.163 0.000 0.626) 0.647 27.850 ( 1.230 0.000 -1.535) 1.967 27.861 ( 2.064 0.000 -0.481) 2.120 27.871 ( -0.815 0.000 -1.536) 1.739 27.888 ( -0.885 0.000 -1.440) 1.690 36.871 ( 3.357 0.000 1.960) 3.887 36.878 ( 5.459 0.000 1.469) 5.654 37.110 ( -8.063 0.000 -1.223) 8.155 37.127 ( -1.321 0.000 -7.870) 7.980 37.205 ( -1.992 0.000 -4.071) 4.532 37.306 ( -4.261 0.000 -2.527) 4.953 37.416 ( -1.138 0.000 -0.098) 1.142 37.449 ( -5.512 0.000 -8.750) 10.341 37.770 ( -2.036 0.000 1.962) 2.828 37.957 ( 0.706 0.000 -3.501) 3.571 38.156 ( -2.057 0.000 13.349) 13.506 38.180 ( -15.345 0.000 0.451) 15.351 38.228 ( 14.265 0.000 4.284) 14.895 38.491 ( 6.683 0.000 1.648) 6.883 38.547 ( -4.618 0.000 7.769) 9.038 38.800 ( 10.388 0.000 -3.456) 10.947 38.825 ( -24.824 0.000 8.419) 26.213 38.885 ( -4.529 0.000 3.131) 5.506 38.920 ( 17.584 0.000 -4.903) 18.255 39.015 ( 13.307 0.000 6.984) 15.029 39.128 ( 0.951 0.000 -6.498) 6.567 39.139 ( -13.613 0.000 -3.261) 13.998 39.179 ( 8.412 0.000 -6.159) 10.425 39.436 ( -5.580 0.000 -9.227) 10.783 ======================= Grid point 111 (55/96) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -15.924 0.000 -4.136) 16.452 1.784 ( -8.321 0.000 4.255) 9.346 2.045 ( -6.421 0.000 -1.589) 6.614 2.066 ( -2.764 0.000 -5.222) 5.909 2.186 ( -6.962 0.000 -3.097) 7.619 2.251 ( 3.450 0.000 1.331) 3.698 2.376 ( 1.150 0.000 -0.511) 1.258 2.510 ( 5.537 0.000 -4.083) 6.880 2.726 ( 0.559 0.000 -3.852) 3.892 2.767 ( -2.741 0.000 -3.567) 4.498 2.908 ( -0.692 0.000 9.215) 9.241 2.925 ( -1.346 0.000 4.271) 4.478 2.928 ( -8.221 0.000 -0.117) 8.222 3.098 ( 2.842 0.000 0.206) 2.849 3.270 ( 9.076 0.000 2.987) 9.555 3.332 ( -12.449 0.000 3.316) 12.883 3.525 ( 2.974 0.000 5.752) 6.476 3.569 ( 9.889 0.000 -2.787) 10.274 3.707 ( -4.410 0.000 4.713) 6.455 3.777 ( -5.780 0.000 -0.321) 5.789 3.867 ( 0.985 0.000 -5.239) 5.331 3.930 ( -5.615 0.000 -2.647) 6.208 4.174 ( 2.910 0.000 2.895) 4.105 4.293 ( 6.277 0.000 -7.510) 9.788 4.369 ( 3.167 0.000 -11.762) 12.181 4.437 ( 5.002 0.000 3.670) 6.204 4.527 ( 0.300 0.000 10.921) 10.926 4.584 ( -6.474 0.000 -0.769) 6.520 4.886 ( -6.716 0.000 -2.577) 7.193 4.893 ( 0.078 0.000 1.930) 1.931 5.003 ( -6.539 0.000 -1.139) 6.638 5.123 ( -2.551 0.000 3.071) 3.992 5.126 ( -7.781 0.000 -4.695) 9.087 5.306 ( 4.433 0.000 1.092) 4.565 5.402 ( -5.918 0.000 0.046) 5.918 5.473 ( -8.134 0.000 0.178) 8.135 5.516 ( -1.370 0.000 -2.605) 2.943 5.579 ( 3.490 0.000 3.375) 4.855 5.646 ( -4.148 0.000 3.583) 5.481 5.818 ( -3.205 0.000 -0.493) 3.242 5.885 ( -2.209 0.000 5.365) 5.802 5.946 ( -5.629 0.000 5.924) 8.172 6.006 ( -4.031 0.000 -7.658) 8.654 6.085 ( -5.730 0.000 -2.187) 6.133 6.131 ( -1.257 0.000 8.785) 8.874 6.234 ( 3.141 0.000 2.775) 4.191 6.340 ( 0.816 0.000 3.004) 3.113 6.403 ( 0.636 0.000 0.313) 0.709 6.406 ( -5.524 0.000 2.565) 6.090 6.668 ( -6.623 0.000 -7.751) 10.195 6.691 ( 1.724 0.000 3.963) 4.322 6.762 ( 3.142 0.000 6.149) 6.906 6.779 ( -8.735 0.000 1.727) 8.904 6.924 ( 1.556 0.000 -6.698) 6.877 7.074 ( -8.439 0.000 -5.017) 9.818 7.093 ( -0.945 0.000 3.525) 3.650 7.233 ( -8.571 0.000 1.434) 8.690 7.278 ( -3.903 0.000 2.918) 4.873 7.331 ( -9.577 0.000 2.754) 9.965 7.373 ( -4.241 0.000 -2.894) 5.134 7.496 ( -8.639 0.000 1.725) 8.810 7.532 ( 1.780 0.000 -9.067) 9.240 7.574 ( -2.828 0.000 0.647) 2.902 7.633 ( -8.380 0.000 1.688) 8.548 7.699 ( -4.864 0.000 -1.642) 5.134 7.717 ( 2.670 0.000 9.683) 10.044 7.787 ( -3.388 0.000 -2.726) 4.349 7.854 ( -0.523 0.000 2.237) 2.297 7.980 ( -2.443 0.000 -2.571) 3.547 8.038 ( -6.424 0.000 -4.477) 7.831 8.082 ( -8.293 0.000 -3.437) 8.977 8.128 ( 1.868 0.000 4.837) 5.185 8.228 ( -5.291 0.000 1.002) 5.385 8.237 ( -5.025 0.000 3.066) 5.886 8.283 ( 11.354 0.000 -1.475) 11.449 8.310 ( -2.947 0.000 0.721) 3.034 8.405 ( 7.446 0.000 -1.324) 7.563 8.490 ( 1.252 0.000 1.424) 1.896 8.620 ( 0.633 0.000 3.087) 3.151 8.640 ( 1.140 0.000 4.819) 4.952 8.642 ( -5.013 0.000 -6.319) 8.066 8.667 ( -1.549 0.000 -9.588) 9.712 8.675 ( 4.480 0.000 1.168) 4.630 8.770 ( -1.303 0.000 -0.320) 1.342 8.780 ( 3.296 0.000 3.348) 4.698 8.924 ( 1.243 0.000 -2.600) 2.882 8.951 ( 5.672 0.000 4.964) 7.538 9.038 ( -1.946 0.000 -3.596) 4.089 9.123 ( 0.730 0.000 -0.159) 0.747 9.179 ( 0.812 0.000 -0.526) 0.967 9.200 ( 1.096 0.000 7.485) 7.565 9.247 ( 1.423 0.000 -0.093) 1.426 9.345 ( 5.243 0.000 0.223) 5.248 9.349 ( 8.344 0.000 -3.326) 8.982 9.524 ( -1.428 0.000 3.251) 3.550 9.622 ( 2.130 0.000 4.469) 4.950 9.684 ( 1.403 0.000 -7.525) 7.655 9.700 ( 4.875 0.000 -5.702) 7.502 9.740 ( 3.205 0.000 0.354) 3.224 9.749 ( 8.117 0.000 4.870) 9.466 9.862 ( -4.882 0.000 7.721) 9.135 9.960 ( 5.668 0.000 -2.608) 6.239 10.063 ( 2.900 0.000 -0.036) 2.901 10.146 ( 1.379 0.000 0.202) 1.394 10.171 ( 10.438 0.000 1.110) 10.497 10.321 ( 19.201 0.000 -3.822) 19.578 10.482 ( -3.551 0.000 -11.452) 11.990 10.626 ( 9.259 0.000 1.713) 9.416 10.683 ( 6.966 0.000 -3.552) 7.819 10.808 ( 0.406 0.000 -6.200) 6.213 10.998 ( 2.416 0.000 10.025) 10.312 11.224 ( 1.817 0.000 -13.088) 13.214 11.554 ( 4.097 0.000 10.226) 11.016 11.639 ( -1.645 0.000 -5.636) 5.872 11.758 ( -2.857 0.000 -4.828) 5.610 11.879 ( 12.704 0.000 7.036) 14.522 12.754 ( -3.780 0.000 4.946) 6.225 12.906 ( 1.809 0.000 9.895) 10.059 12.922 ( -4.465 0.000 -4.907) 6.635 13.122 ( 1.884 0.000 -12.640) 12.780 14.019 ( -1.443 0.000 7.701) 7.835 14.070 ( 3.499 0.000 3.042) 4.636 14.072 ( -4.478 0.000 -1.594) 4.753 14.425 ( 5.103 0.000 -3.940) 6.446 14.596 ( -0.387 0.000 4.350) 4.367 14.662 ( 0.249 0.000 3.478) 3.487 14.790 ( 1.771 0.000 -5.760) 6.026 14.870 ( 3.060 0.000 -9.688) 10.160 16.435 ( -2.132 0.000 8.833) 9.086 16.482 ( -0.922 0.000 7.270) 7.328 16.684 ( 0.219 0.000 -5.751) 5.755 16.708 ( 0.762 0.000 -7.679) 7.717 16.996 ( -0.566 0.000 -1.009) 1.157 17.087 ( -0.117 0.000 -0.004) 0.117 17.171 ( 1.868 0.000 -5.166) 5.494 17.208 ( 2.008 0.000 -12.945) 13.100 17.386 ( -1.408 0.000 3.396) 3.676 17.467 ( -2.032 0.000 4.460) 4.901 17.521 ( -2.767 0.000 5.277) 5.958 17.552 ( -0.402 0.000 1.073) 1.146 17.582 ( 3.233 0.000 -1.165) 3.436 17.611 ( 0.653 0.000 4.238) 4.288 17.743 ( -0.972 0.000 -4.337) 4.445 17.846 ( 1.102 0.000 -3.797) 3.954 17.943 ( -0.735 0.000 1.589) 1.751 17.961 ( -0.946 0.000 7.960) 8.016 18.034 ( 1.504 0.000 3.369) 3.689 18.038 ( 0.578 0.000 9.062) 9.080 18.078 ( 0.584 0.000 -4.924) 4.959 18.117 ( -1.305 0.000 -3.070) 3.336 18.241 ( -1.029 0.000 -7.805) 7.872 18.292 ( 2.671 0.000 -2.260) 3.499 18.577 ( -1.274 0.000 5.265) 5.417 18.733 ( 0.463 0.000 -3.527) 3.558 18.757 ( -2.690 0.000 5.062) 5.733 18.835 ( 0.096 0.000 1.723) 1.726 21.031 ( -19.289 0.000 0.124) 19.290 21.038 ( -19.513 0.000 -0.070) 19.514 21.065 ( -18.642 0.000 -0.142) 18.642 21.239 ( -17.483 0.000 -0.560) 17.492 21.290 ( -15.686 0.000 0.371) 15.690 21.663 ( 13.231 0.000 -1.737) 13.344 21.664 ( 11.530 0.000 -3.091) 11.937 21.688 ( 12.874 0.000 -2.202) 13.061 21.827 ( 9.433 0.000 1.756) 9.595 21.850 ( 9.470 0.000 2.544) 9.806 22.103 ( 4.600 0.000 6.396) 7.879 22.143 ( -1.426 0.000 -5.087) 5.283 27.036 ( -0.892 0.000 1.739) 1.955 27.049 ( -0.826 0.000 1.082) 1.361 27.102 ( 0.566 0.000 -1.325) 1.440 27.119 ( 0.615 0.000 -1.423) 1.550 27.558 ( -1.268 0.000 2.550) 2.848 27.585 ( 0.519 0.000 1.099) 1.215 27.596 ( 0.703 0.000 0.798) 1.063 27.621 ( 0.129 0.000 0.316) 0.342 27.835 ( -1.121 0.000 -1.777) 2.101 27.848 ( -0.250 0.000 -1.517) 1.537 27.895 ( 2.224 0.000 -0.771) 2.354 27.900 ( 2.564 0.000 -0.730) 2.666 36.925 ( -6.727 0.000 -2.873) 7.314 36.954 ( 0.762 0.000 2.068) 2.204 36.997 ( -3.164 0.000 -7.743) 8.364 37.018 ( 5.411 0.000 7.763) 9.463 37.177 ( -5.248 0.000 -4.004) 6.601 37.205 ( 0.655 0.000 1.984) 2.089 37.342 ( -5.110 0.000 0.356) 5.122 37.380 ( -3.321 0.000 1.335) 3.580 37.751 ( -2.578 0.000 4.078) 4.825 37.924 ( -9.028 0.000 -3.630) 9.730 37.945 ( -3.309 0.000 0.085) 3.310 38.120 ( -10.861 0.000 11.756) 16.005 38.414 ( -14.013 0.000 1.118) 14.058 38.449 ( -9.918 0.000 5.130) 11.167 38.485 ( -3.231 0.000 -4.470) 5.516 38.602 ( 10.966 0.000 0.016) 10.966 38.742 ( -13.003 0.000 0.180) 13.004 38.785 ( -5.743 0.000 5.133) 7.702 39.115 ( 12.690 0.000 -9.834) 16.054 39.159 ( 5.180 0.000 -4.129) 6.624 39.212 ( 18.676 0.000 0.898) 18.697 39.388 ( 22.815 0.000 8.135) 24.221 39.528 ( 28.837 0.000 -2.818) 28.974 39.534 ( 20.559 0.000 -5.769) 21.353 ======================= Grid point 112 (56/96) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -14.560 0.000 9.601) 17.440 1.520 ( -22.514 0.000 5.913) 23.278 1.912 ( -6.529 0.000 -2.670) 7.054 1.958 ( -5.760 0.000 0.180) 5.762 2.233 ( 0.216 0.000 3.464) 3.471 2.325 ( 0.829 0.000 2.441) 2.578 2.365 ( 1.729 0.000 5.863) 6.112 2.477 ( -9.498 0.000 -1.950) 9.696 2.673 ( -0.882 0.000 -10.290) 10.328 2.694 ( 0.816 0.000 -5.144) 5.208 2.795 ( -6.950 0.000 -0.384) 6.961 2.900 ( -9.303 0.000 9.368) 13.203 2.956 ( -0.019 0.000 4.421) 4.421 3.150 ( -5.013 0.000 2.630) 5.661 3.173 ( 6.074 0.000 -3.736) 7.131 3.425 ( 6.047 0.000 0.392) 6.060 3.553 ( -5.978 0.000 8.416) 10.323 3.682 ( 2.528 0.000 -2.717) 3.711 3.713 ( 1.491 0.000 2.838) 3.206 3.777 ( 7.339 0.000 -6.040) 9.505 3.805 ( 3.279 0.000 -5.190) 6.139 3.859 ( -0.586 0.000 0.705) 0.917 4.185 ( -1.864 0.000 3.597) 4.051 4.318 ( 2.041 0.000 -7.241) 7.523 4.405 ( 5.179 0.000 -7.267) 8.923 4.470 ( -5.389 0.000 1.668) 5.641 4.557 ( 3.965 0.000 4.640) 6.103 4.573 ( -1.872 0.000 2.297) 2.964 4.708 ( -7.974 0.000 -7.378) 10.864 4.819 ( -7.580 0.000 -3.712) 8.440 4.849 ( -9.320 0.000 -1.346) 9.417 4.993 ( -5.205 0.000 1.114) 5.323 5.054 ( -8.560 0.000 3.496) 9.247 5.234 ( -8.777 0.000 -1.040) 8.838 5.399 ( -0.916 0.000 8.875) 8.922 5.427 ( -2.773 0.000 5.557) 6.211 5.468 ( 0.502 0.000 -3.220) 3.259 5.546 ( -10.159 0.000 -0.426) 10.168 5.571 ( -5.952 0.000 0.013) 5.952 5.703 ( -7.466 0.000 0.821) 7.511 5.853 ( -5.102 0.000 3.603) 6.246 5.879 ( -0.034 0.000 -8.190) 8.190 5.948 ( -3.323 0.000 9.603) 10.162 5.975 ( -5.418 0.000 -0.372) 5.431 6.142 ( -3.050 0.000 4.473) 5.414 6.268 ( -0.039 0.000 -5.907) 5.907 6.304 ( -5.538 0.000 -0.016) 5.538 6.389 ( -0.513 0.000 2.232) 2.290 6.449 ( 4.547 0.000 6.252) 7.731 6.477 ( -10.981 0.000 -4.492) 11.864 6.649 ( -11.166 0.000 -2.262) 11.393 6.713 ( -9.919 0.000 4.771) 11.007 6.731 ( 2.566 0.000 5.841) 6.380 6.864 ( -10.385 0.000 -6.837) 12.434 6.908 ( -5.025 0.000 1.940) 5.387 6.968 ( -12.444 0.000 1.211) 12.503 7.132 ( 2.451 0.000 3.641) 4.389 7.210 ( -7.472 0.000 0.806) 7.515 7.293 ( -4.293 0.000 -7.296) 8.465 7.308 ( -9.401 0.000 -1.418) 9.508 7.334 ( 4.409 0.000 2.287) 4.967 7.425 ( -5.920 0.000 -8.887) 10.679 7.494 ( -6.802 0.000 -0.725) 6.841 7.497 ( -6.603 0.000 -5.147) 8.372 7.640 ( 0.631 0.000 7.049) 7.077 7.746 ( -1.776 0.000 0.071) 1.777 7.783 ( -6.401 0.000 2.886) 7.021 7.892 ( 2.834 0.000 6.994) 7.546 7.898 ( -1.320 0.000 -1.563) 2.046 7.931 ( -5.416 0.000 1.497) 5.619 8.008 ( -0.914 0.000 6.684) 6.746 8.026 ( -11.885 0.000 6.902) 13.744 8.136 ( -6.560 0.000 -0.419) 6.573 8.230 ( 0.099 0.000 5.105) 5.106 8.316 ( 0.651 0.000 -10.755) 10.775 8.342 ( 3.606 0.000 -1.518) 3.913 8.428 ( -7.696 0.000 -2.979) 8.253 8.512 ( -0.443 0.000 -1.158) 1.240 8.575 ( -0.374 0.000 -6.708) 6.718 8.591 ( 3.492 0.000 -7.268) 8.063 8.616 ( 4.600 0.000 0.916) 4.690 8.676 ( 0.748 0.000 2.958) 3.051 8.701 ( -3.489 0.000 -2.398) 4.233 8.746 ( -0.562 0.000 4.165) 4.202 8.935 ( 0.134 0.000 0.962) 0.972 8.957 ( 9.232 0.000 2.707) 9.621 9.010 ( 2.286 0.000 -1.496) 2.731 9.102 ( 6.680 0.000 4.322) 7.956 9.172 ( 3.042 0.000 -3.622) 4.730 9.191 ( 4.169 0.000 -5.324) 6.762 9.214 ( -2.167 0.000 2.257) 3.129 9.282 ( 3.803 0.000 -1.834) 4.222 9.406 ( 2.817 0.000 -7.909) 8.396 9.427 ( 2.524 0.000 0.116) 2.526 9.560 ( 3.552 0.000 4.959) 6.100 9.595 ( -0.299 0.000 -5.950) 5.958 9.747 ( 4.989 0.000 0.185) 4.993 9.783 ( 6.209 0.000 -0.111) 6.210 9.879 ( 5.243 0.000 2.699) 5.897 9.911 ( 5.523 0.000 7.904) 9.643 9.911 ( 3.113 0.000 -0.388) 3.137 10.009 ( 6.166 0.000 0.845) 6.224 10.116 ( 4.176 0.000 3.157) 5.235 10.278 ( -0.585 0.000 -13.531) 13.543 10.350 ( 19.386 0.000 2.179) 19.508 10.382 ( 5.361 0.000 2.292) 5.830 10.659 ( 17.902 0.000 -3.816) 18.305 10.778 ( 3.497 0.000 6.429) 7.319 10.789 ( 3.669 0.000 -1.905) 4.134 10.845 ( 15.071 0.000 -6.139) 16.274 11.151 ( 6.155 0.000 12.417) 13.859 11.184 ( 5.364 0.000 -13.984) 14.978 11.582 ( -0.718 0.000 -5.002) 5.054 11.709 ( 4.479 0.000 10.119) 11.066 11.725 ( 1.643 0.000 -1.512) 2.232 12.186 ( 14.497 0.000 6.983) 16.091 12.709 ( -4.377 0.000 2.799) 5.195 12.750 ( -9.361 0.000 -6.547) 11.423 12.984 ( -0.812 0.000 8.753) 8.791 13.026 ( -1.363 0.000 -15.608) 15.667 13.970 ( -5.982 0.000 3.331) 6.847 14.091 ( 3.995 0.000 2.004) 4.470 14.184 ( 6.807 0.000 1.964) 7.085 14.490 ( 5.125 0.000 -2.367) 5.645 14.619 ( -0.202 0.000 3.738) 3.744 14.709 ( 0.601 0.000 6.092) 6.121 14.781 ( 2.203 0.000 -6.708) 7.060 14.866 ( 4.369 0.000 -8.100) 9.203 16.454 ( -3.163 0.000 7.248) 7.908 16.507 ( -1.876 0.000 7.178) 7.419 16.630 ( -0.230 0.000 -9.104) 9.107 16.645 ( -0.414 0.000 -8.673) 8.682 16.973 ( -1.238 0.000 -0.192) 1.253 17.085 ( -0.347 0.000 0.654) 0.740 17.130 ( 0.986 0.000 -14.115) 14.149 17.170 ( 1.709 0.000 -3.914) 4.271 17.411 ( 0.394 0.000 5.057) 5.072 17.459 ( -0.589 0.000 -1.335) 1.459 17.501 ( -5.182 0.000 9.483) 10.806 17.568 ( -0.083 0.000 3.956) 3.957 17.596 ( 0.212 0.000 -3.990) 3.995 17.657 ( 1.133 0.000 3.766) 3.933 17.730 ( 1.976 0.000 -1.071) 2.247 17.846 ( 1.809 0.000 -3.409) 3.860 17.909 ( -1.577 0.000 -4.204) 4.490 17.982 ( -1.789 0.000 1.719) 2.481 18.029 ( -0.116 0.000 2.712) 2.714 18.083 ( -0.532 0.000 4.832) 4.862 18.130 ( 3.741 0.000 0.574) 3.785 18.133 ( -0.544 0.000 1.362) 1.467 18.186 ( 2.186 0.000 -1.873) 2.879 18.328 ( 2.642 0.000 -0.832) 2.770 18.592 ( -1.477 0.000 5.135) 5.344 18.715 ( 0.508 0.000 -3.387) 3.425 18.759 ( -1.338 0.000 5.628) 5.785 18.857 ( 0.692 0.000 2.481) 2.576 20.693 ( -19.043 0.000 0.262) 19.044 20.695 ( -19.269 0.000 0.385) 19.272 20.734 ( -19.224 0.000 1.081) 19.254 20.884 ( -21.201 0.000 -1.423) 21.249 20.950 ( -21.331 0.000 -1.084) 21.359 21.768 ( 0.545 0.000 -8.637) 8.654 21.860 ( 10.110 0.000 -0.809) 10.142 21.880 ( 10.076 0.000 -1.138) 10.140 21.969 ( 3.985 0.000 -4.961) 6.364 21.991 ( 7.386 0.000 1.255) 7.492 22.089 ( 3.134 0.000 -4.834) 5.761 22.193 ( 1.886 0.000 3.285) 3.788 27.028 ( -1.266 0.000 1.284) 1.803 27.047 ( -0.497 0.000 1.644) 1.717 27.105 ( 0.664 0.000 -0.947) 1.156 27.114 ( 0.142 0.000 -1.532) 1.539 27.559 ( -0.819 0.000 2.705) 2.827 27.608 ( 1.232 0.000 1.033) 1.608 27.613 ( 0.850 0.000 0.166) 0.866 27.628 ( 0.269 0.000 0.469) 0.541 27.802 ( -1.034 0.000 -1.906) 2.169 27.837 ( 0.483 0.000 -1.964) 2.023 27.938 ( 2.926 0.000 -0.203) 2.933 27.940 ( 2.439 0.000 -0.455) 2.482 36.758 ( -6.425 0.000 -4.318) 7.742 36.873 ( -3.224 0.000 -7.392) 8.065 37.022 ( 0.747 0.000 4.168) 4.235 37.102 ( -2.016 0.000 3.459) 4.004 37.197 ( 0.906 0.000 5.551) 5.624 37.247 ( -6.574 0.000 1.950) 6.857 37.272 ( 5.499 0.000 15.712) 16.646 37.329 ( -3.511 0.000 2.198) 4.142 37.725 ( -6.346 0.000 5.692) 8.525 37.733 ( -9.148 0.000 -0.619) 9.169 37.928 ( 0.778 0.000 -3.029) 3.127 37.987 ( -9.042 0.000 6.965) 11.413 38.236 ( -6.081 0.000 10.873) 12.458 38.332 ( -6.421 0.000 4.485) 7.832 38.363 ( -6.309 0.000 -3.957) 7.447 38.558 ( -6.004 0.000 -3.664) 7.034 38.581 ( -7.384 0.000 0.312) 7.390 38.934 ( 13.358 0.000 -6.180) 14.719 39.239 ( 11.303 0.000 -13.995) 17.989 39.341 ( 14.976 0.000 7.281) 16.652 39.570 ( 17.529 0.000 7.380) 19.019 39.875 ( 27.340 0.000 1.465) 27.379 39.923 ( 25.829 0.000 -3.252) 26.033 40.057 ( 31.355 0.000 0.603) 31.360 ======================= Grid point 113 (57/96) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -22.231 0.000 13.904) 26.221 1.241 ( -12.147 0.000 19.867) 23.286 1.770 ( -5.950 0.000 -9.060) 10.839 1.868 ( -6.483 0.000 3.453) 7.345 2.081 ( -28.084 0.000 14.284) 31.508 2.107 ( -10.043 0.000 1.679) 10.183 2.362 ( -2.235 0.000 0.875) 2.401 2.490 ( -8.906 0.000 -14.791) 17.266 2.529 ( -1.184 0.000 2.901) 3.133 2.703 ( 4.687 0.000 -2.602) 5.361 2.746 ( 4.319 0.000 5.031) 6.630 2.890 ( 2.175 0.000 6.095) 6.472 2.998 ( -3.068 0.000 7.787) 8.370 3.136 ( 3.460 0.000 -3.556) 4.962 3.232 ( 4.074 0.000 -6.367) 7.559 3.495 ( -0.830 0.000 1.592) 1.796 3.501 ( 2.312 0.000 -3.429) 4.135 3.737 ( 5.088 0.000 -0.776) 5.147 3.739 ( 3.641 0.000 -9.803) 10.458 3.789 ( 0.711 0.000 9.459) 9.486 3.900 ( 3.337 0.000 2.424) 4.125 3.991 ( 9.516 0.000 0.943) 9.563 4.198 ( -0.615 0.000 5.263) 5.299 4.254 ( -4.526 0.000 0.909) 4.616 4.334 ( -5.268 0.000 -11.612) 12.751 4.429 ( -0.811 0.000 -5.814) 5.870 4.486 ( -6.044 0.000 -4.197) 7.359 4.581 ( -3.933 0.000 0.820) 4.017 4.599 ( -11.446 0.000 -4.755) 12.394 4.635 ( 1.228 0.000 4.569) 4.731 4.706 ( -4.092 0.000 -2.272) 4.680 4.881 ( -13.492 0.000 3.364) 13.905 4.938 ( -3.587 0.000 2.791) 4.545 5.147 ( -3.167 0.000 7.172) 7.840 5.281 ( -14.344 0.000 2.087) 14.495 5.337 ( -5.988 0.000 -6.143) 8.579 5.394 ( -3.595 0.000 0.002) 3.595 5.436 ( -7.220 0.000 -5.277) 8.943 5.525 ( -1.043 0.000 9.149) 9.208 5.641 ( -1.344 0.000 2.561) 2.893 5.822 ( -1.832 0.000 6.298) 6.559 5.864 ( 1.144 0.000 -3.760) 3.930 5.890 ( -4.805 0.000 0.240) 4.811 5.905 ( -5.711 0.000 1.168) 5.829 6.104 ( -2.329 0.000 0.597) 2.404 6.178 ( -4.050 0.000 -7.936) 8.910 6.180 ( -9.923 0.000 0.691) 9.947 6.320 ( -3.403 0.000 1.436) 3.693 6.324 ( -17.488 0.000 -3.740) 17.884 6.382 ( -4.426 0.000 5.325) 6.924 6.538 ( -10.249 0.000 2.267) 10.497 6.602 ( -9.643 0.000 -8.749) 13.020 6.610 ( 2.883 0.000 5.873) 6.543 6.755 ( -9.183 0.000 9.105) 12.932 6.859 ( 3.183 0.000 3.042) 4.403 6.893 ( -4.007 0.000 0.407) 4.027 7.064 ( -9.868 0.000 -14.409) 17.464 7.077 ( -7.333 0.000 1.783) 7.547 7.195 ( 0.618 0.000 -5.793) 5.826 7.212 ( 3.460 0.000 -0.244) 3.468 7.296 ( -4.584 0.000 -2.898) 5.423 7.341 ( -2.447 0.000 -7.863) 8.235 7.388 ( -4.171 0.000 3.407) 5.385 7.437 ( 4.878 0.000 -2.377) 5.426 7.625 ( -9.111 0.000 -2.896) 9.560 7.691 ( -5.270 0.000 3.153) 6.141 7.761 ( -0.021 0.000 6.530) 6.530 7.830 ( -4.658 0.000 0.759) 4.719 7.906 ( 1.441 0.000 2.166) 2.602 7.914 ( -4.834 0.000 7.109) 8.597 7.987 ( 0.097 0.000 3.397) 3.399 8.018 ( -9.605 0.000 4.916) 10.790 8.033 ( -2.452 0.000 3.132) 3.978 8.240 ( -1.724 0.000 4.758) 5.060 8.241 ( -6.583 0.000 -0.448) 6.598 8.320 ( 2.469 0.000 -10.246) 10.539 8.370 ( -0.309 0.000 -4.259) 4.270 8.442 ( -2.904 0.000 -5.781) 6.469 8.519 ( 0.613 0.000 -8.988) 9.009 8.563 ( 3.296 0.000 -9.023) 9.606 8.641 ( -2.671 0.000 1.653) 3.141 8.697 ( 0.665 0.000 0.837) 1.069 8.709 ( 3.683 0.000 3.653) 5.188 8.786 ( 0.350 0.000 3.181) 3.201 8.968 ( 0.787 0.000 6.435) 6.483 9.059 ( 3.409 0.000 -6.369) 7.224 9.069 ( 2.932 0.000 1.503) 3.295 9.118 ( -2.764 0.000 -4.796) 5.535 9.206 ( 4.941 0.000 -2.063) 5.355 9.232 ( 2.436 0.000 -0.900) 2.597 9.271 ( 4.636 0.000 0.553) 4.668 9.346 ( 4.954 0.000 -2.041) 5.358 9.382 ( 4.996 0.000 -11.382) 12.430 9.447 ( 0.724 0.000 -1.458) 1.628 9.623 ( 3.783 0.000 2.165) 4.359 9.672 ( 3.928 0.000 3.408) 5.201 9.741 ( -1.223 0.000 -8.206) 8.297 9.866 ( 6.218 0.000 3.539) 7.154 9.927 ( 0.676 0.000 -2.247) 2.347 9.954 ( 0.160 0.000 2.169) 2.175 10.082 ( 3.144 0.000 1.715) 3.581 10.099 ( 6.313 0.000 9.141) 11.109 10.214 ( 3.324 0.000 -4.944) 5.958 10.362 ( 13.159 0.000 3.919) 13.730 10.456 ( -0.303 0.000 4.177) 4.188 10.730 ( 18.792 0.000 4.941) 19.431 10.825 ( 11.322 0.000 -6.753) 13.183 10.878 ( 4.332 0.000 4.192) 6.028 10.994 ( 12.871 0.000 1.006) 12.910 11.062 ( 13.277 0.000 -5.587) 14.404 11.224 ( 10.175 0.000 -10.343) 14.509 11.369 ( 5.934 0.000 5.218) 7.902 11.592 ( 7.300 0.000 9.754) 12.184 11.797 ( 7.069 0.000 1.232) 7.176 11.842 ( 2.062 0.000 9.113) 9.343 12.422 ( 7.393 0.000 1.425) 7.529 12.524 ( -11.264 0.000 -4.303) 12.058 12.651 ( -3.973 0.000 1.573) 4.273 12.844 ( -6.140 0.000 -14.668) 15.902 13.010 ( -3.281 0.000 7.855) 8.513 13.910 ( -3.862 0.000 4.497) 5.927 14.202 ( 7.076 0.000 1.310) 7.197 14.314 ( 7.250 0.000 -1.563) 7.416 14.567 ( 5.499 0.000 -2.533) 6.055 14.644 ( -0.285 0.000 3.978) 3.988 14.765 ( 0.253 0.000 6.782) 6.786 14.768 ( 2.552 0.000 -7.778) 8.186 14.904 ( 5.127 0.000 -4.493) 6.817 16.410 ( -5.323 0.000 1.196) 5.456 16.538 ( -0.463 0.000 -12.794) 12.803 16.541 ( -0.078 0.000 5.767) 5.767 16.586 ( 0.576 0.000 -7.764) 7.785 16.958 ( -1.124 0.000 1.918) 2.223 17.041 ( 0.152 0.000 -11.694) 11.695 17.092 ( 0.343 0.000 2.179) 2.206 17.176 ( 2.269 0.000 -3.829) 4.450 17.427 ( -1.549 0.000 -0.685) 1.694 17.462 ( 1.014 0.000 4.472) 4.586 17.488 ( -4.057 0.000 7.766) 8.762 17.554 ( -0.854 0.000 -4.055) 4.144 17.602 ( -0.624 0.000 6.632) 6.662 17.705 ( 1.550 0.000 3.021) 3.396 17.772 ( 3.103 0.000 -0.898) 3.230 17.855 ( 1.750 0.000 -2.768) 3.275 17.856 ( -0.608 0.000 -2.889) 2.952 17.953 ( -0.704 0.000 -2.123) 2.237 18.061 ( -1.871 0.000 -6.372) 6.641 18.067 ( 0.847 0.000 4.249) 4.332 18.137 ( 1.059 0.000 5.269) 5.374 18.191 ( 2.658 0.000 0.782) 2.770 18.279 ( 3.593 0.000 6.636) 7.546 18.370 ( 2.157 0.000 0.607) 2.240 18.600 ( -1.785 0.000 4.555) 4.892 18.701 ( 0.633 0.000 -2.980) 3.047 18.799 ( 0.767 0.000 6.516) 6.561 18.897 ( 1.446 0.000 3.285) 3.589 20.383 ( -16.072 0.000 0.084) 16.072 20.386 ( -15.870 0.000 0.485) 15.877 20.424 ( -16.853 0.000 1.684) 16.937 20.505 ( -19.936 0.000 -1.399) 19.985 20.562 ( -21.055 0.000 -1.350) 21.098 21.380 ( -25.982 0.000 -32.467) 41.583 22.003 ( 6.658 0.000 -0.117) 6.659 22.020 ( 6.595 0.000 -0.459) 6.611 22.035 ( 5.809 0.000 -1.706) 6.054 22.100 ( 4.268 0.000 0.620) 4.313 22.154 ( 3.583 0.000 0.436) 3.609 22.228 ( 0.340 0.000 1.521) 1.559 27.014 ( -1.221 0.000 1.052) 1.612 27.054 ( -0.320 0.000 2.113) 2.137 27.102 ( -0.005 0.000 -1.391) 1.391 27.112 ( 0.565 0.000 -0.515) 0.764 27.568 ( -0.429 0.000 2.538) 2.573 27.630 ( 0.994 0.000 0.321) 1.045 27.635 ( 0.642 0.000 0.393) 0.753 27.643 ( 1.147 0.000 1.542) 1.922 27.773 ( -0.517 0.000 -1.858) 1.929 27.833 ( 0.840 0.000 -2.428) 2.569 27.980 ( 2.334 0.000 0.285) 2.351 27.990 ( 2.899 0.000 0.066) 2.900 36.646 ( -3.680 0.000 -2.185) 4.280 36.776 ( -2.188 0.000 -5.878) 6.272 37.024 ( -1.773 0.000 3.223) 3.678 37.138 ( -3.718 0.000 4.765) 6.043 37.180 ( -0.664 0.000 7.999) 8.026 37.192 ( -2.560 0.000 2.496) 3.576 37.278 ( -3.694 0.000 3.073) 4.805 37.474 ( 0.699 0.000 6.845) 6.881 37.594 ( -8.282 0.000 3.026) 8.817 37.597 ( -5.557 0.000 -0.874) 5.625 37.925 ( 1.077 0.000 -2.005) 2.276 37.977 ( -0.510 0.000 9.277) 9.291 38.234 ( -4.242 0.000 2.333) 4.841 38.239 ( -5.236 0.000 -0.800) 5.296 38.356 ( -2.813 0.000 1.147) 3.037 38.453 ( -1.627 0.000 -8.265) 8.424 38.658 ( 14.086 0.000 20.321) 24.726 39.161 ( 23.249 0.000 10.897) 25.676 39.293 ( 7.916 0.000 -17.313) 19.037 39.729 ( 17.896 0.000 15.696) 23.804 39.913 ( 14.086 0.000 9.209) 16.830 40.331 ( 24.591 0.000 -3.060) 24.780 40.350 ( 24.792 0.000 -3.279) 25.008 40.588 ( 26.780 0.000 1.814) 26.841 ======================= Grid point 114 (58/96) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -13.341 0.000 23.551) 27.067 1.063 ( -26.271 0.000 17.746) 31.703 1.615 ( 3.794 0.000 -8.184) 9.021 1.766 ( -5.947 0.000 -1.255) 6.078 1.964 ( -3.314 0.000 22.207) 22.453 1.984 ( -4.874 0.000 1.811) 5.200 2.197 ( -13.150 0.000 -1.297) 13.214 2.351 ( 0.689 0.000 -1.630) 1.769 2.400 ( -8.819 0.000 -1.000) 8.875 2.705 ( -0.284 0.000 -3.105) 3.118 2.941 ( -5.403 0.000 1.138) 5.521 2.965 ( 1.336 0.000 4.485) 4.680 2.985 ( 7.352 0.000 7.982) 10.852 3.201 ( 2.221 0.000 -10.144) 10.384 3.255 ( 8.807 0.000 1.957) 9.021 3.526 ( 6.017 0.000 1.717) 6.257 3.562 ( 4.647 0.000 -6.389) 7.900 3.756 ( 5.660 0.000 -7.234) 9.185 3.772 ( -0.511 0.000 -0.885) 1.022 3.848 ( -0.789 0.000 4.878) 4.941 3.990 ( 0.631 0.000 4.760) 4.802 4.070 ( -2.935 0.000 -2.757) 4.027 4.158 ( 0.020 0.000 -9.790) 9.790 4.167 ( -8.157 0.000 2.719) 8.598 4.219 ( -6.605 0.000 2.784) 7.168 4.308 ( 0.479 0.000 -5.988) 6.007 4.358 ( -3.620 0.000 4.506) 5.780 4.464 ( -5.546 0.000 0.850) 5.610 4.555 ( 0.872 0.000 -0.032) 0.873 4.637 ( -9.068 0.000 4.493) 10.119 4.659 ( 0.536 0.000 -3.882) 3.919 4.723 ( -0.634 0.000 1.926) 2.028 4.911 ( -1.196 0.000 2.282) 2.576 5.078 ( -9.531 0.000 2.747) 9.919 5.187 ( -3.239 0.000 8.968) 9.535 5.231 ( -1.259 0.000 -5.589) 5.729 5.235 ( -9.459 0.000 -4.791) 10.604 5.350 ( 0.232 0.000 0.362) 0.430 5.541 ( -2.489 0.000 4.590) 5.221 5.629 ( -2.357 0.000 0.746) 2.472 5.782 ( -4.747 0.000 -1.771) 5.066 5.806 ( -4.423 0.000 -1.119) 4.563 5.839 ( -2.222 0.000 -0.117) 2.226 5.873 ( 1.888 0.000 1.914) 2.688 5.944 ( -14.302 0.000 5.113) 15.189 6.034 ( -4.982 0.000 -2.831) 5.730 6.093 ( 0.444 0.000 -0.169) 0.475 6.180 ( -0.263 0.000 -3.047) 3.058 6.264 ( -4.597 0.000 -1.864) 4.960 6.332 ( -3.218 0.000 3.176) 4.521 6.388 ( -7.324 0.000 2.988) 7.910 6.439 ( -5.609 0.000 2.385) 6.095 6.584 ( -10.419 0.000 2.759) 10.778 6.713 ( -6.667 0.000 -7.073) 9.720 6.796 ( 3.483 0.000 4.857) 5.977 6.914 ( 2.550 0.000 1.632) 3.028 6.930 ( 2.572 0.000 -8.348) 8.735 6.999 ( -1.344 0.000 0.593) 1.469 7.124 ( -2.087 0.000 -9.564) 9.789 7.228 ( -1.147 0.000 -2.404) 2.664 7.231 ( 1.759 0.000 -5.472) 5.748 7.368 ( -4.602 0.000 4.740) 6.606 7.379 ( 6.516 0.000 -1.137) 6.615 7.431 ( -2.055 0.000 -1.973) 2.848 7.517 ( 0.472 0.000 -4.525) 4.549 7.552 ( -9.535 0.000 -2.438) 9.842 7.676 ( -5.480 0.000 2.660) 6.092 7.764 ( -17.150 0.000 -6.549) 18.358 7.847 ( -2.213 0.000 -0.807) 2.355 7.906 ( -5.367 0.000 10.670) 11.943 7.956 ( 0.793 0.000 4.489) 4.559 7.980 ( 2.582 0.000 10.294) 10.613 8.044 ( -3.118 0.000 5.312) 6.160 8.187 ( -1.544 0.000 0.745) 1.715 8.205 ( 1.426 0.000 -17.626) 17.684 8.277 ( -0.500 0.000 8.630) 8.644 8.311 ( -2.444 0.000 -2.040) 3.183 8.360 ( -2.034 0.000 -6.920) 7.213 8.507 ( 2.796 0.000 -3.834) 4.746 8.597 ( -4.323 0.000 3.223) 5.392 8.599 ( 4.981 0.000 -3.997) 6.386 8.709 ( -0.136 0.000 1.850) 1.855 8.764 ( -2.483 0.000 -2.326) 3.402 8.810 ( 4.988 0.000 -3.598) 6.150 9.003 ( -2.832 0.000 5.332) 6.037 9.015 ( 0.659 0.000 -12.233) 12.251 9.037 ( 0.547 0.000 -2.435) 2.495 9.163 ( 3.171 0.000 3.607) 4.803 9.256 ( 1.101 0.000 -2.918) 3.119 9.266 ( 1.692 0.000 0.491) 1.762 9.300 ( 2.406 0.000 -5.608) 6.102 9.389 ( 3.215 0.000 -6.754) 7.480 9.434 ( 4.688 0.000 -3.106) 5.623 9.443 ( -0.277 0.000 -1.134) 1.168 9.696 ( 2.647 0.000 1.986) 3.309 9.733 ( 1.951 0.000 0.237) 1.965 9.738 ( 3.606 0.000 1.325) 3.842 9.901 ( 0.194 0.000 -2.333) 2.341 9.982 ( 0.446 0.000 4.374) 4.396 10.013 ( 5.586 0.000 4.621) 7.249 10.141 ( 2.555 0.000 0.068) 2.556 10.237 ( -0.011 0.000 2.156) 2.156 10.258 ( 3.981 0.000 6.035) 7.230 10.511 ( 3.433 0.000 5.741) 6.689 10.523 ( 3.905 0.000 0.149) 3.908 10.885 ( -1.341 0.000 2.009) 2.415 10.964 ( 9.142 0.000 -6.218) 11.056 11.115 ( 13.067 0.000 2.339) 13.274 11.175 ( 7.224 0.000 0.385) 7.234 11.176 ( 6.690 0.000 -7.587) 10.115 11.375 ( 11.675 0.000 -3.903) 12.310 11.390 ( 1.400 0.000 -1.900) 2.360 11.903 ( -2.631 0.000 8.245) 8.655 11.986 ( 14.784 0.000 1.893) 14.905 12.056 ( 18.794 0.000 14.565) 23.777 12.314 ( -9.722 0.000 0.765) 9.752 12.467 ( 1.693 0.000 -7.028) 7.229 12.589 ( -4.643 0.000 1.081) 4.767 12.655 ( -1.151 0.000 -5.177) 5.303 12.972 ( -7.748 0.000 6.487) 10.105 13.906 ( -1.747 0.000 7.315) 7.521 14.342 ( 7.106 0.000 1.326) 7.229 14.400 ( 5.054 0.000 -4.924) 7.056 14.620 ( 3.176 0.000 -6.117) 6.892 14.659 ( -1.297 0.000 3.159) 3.415 14.757 ( 2.450 0.000 -6.580) 7.021 14.816 ( -0.163 0.000 6.622) 6.624 14.971 ( 4.893 0.000 -2.129) 5.336 16.303 ( -5.646 0.000 -2.482) 6.167 16.441 ( 0.703 0.000 -13.003) 13.022 16.552 ( 2.419 0.000 -8.443) 8.783 16.552 ( -1.232 0.000 -2.351) 2.655 16.955 ( -1.308 0.000 2.407) 2.739 16.973 ( 0.318 0.000 -7.059) 7.067 17.124 ( 0.785 0.000 0.985) 1.259 17.194 ( 3.164 0.000 -4.182) 5.244 17.411 ( -2.215 0.000 3.411) 4.067 17.472 ( -1.085 0.000 2.645) 2.859 17.488 ( -0.500 0.000 -0.429) 0.659 17.531 ( 0.645 0.000 0.044) 0.647 17.640 ( -1.919 0.000 9.110) 9.310 17.762 ( 2.750 0.000 1.857) 3.318 17.816 ( 2.564 0.000 -1.211) 2.836 17.862 ( 1.313 0.000 -2.492) 2.817 17.870 ( 2.434 0.000 2.743) 3.667 17.929 ( -0.157 0.000 -2.529) 2.534 17.977 ( -2.546 0.000 -5.417) 5.986 18.115 ( 1.397 0.000 3.050) 3.354 18.202 ( 2.199 0.000 3.836) 4.422 18.232 ( 1.422 0.000 0.220) 1.439 18.388 ( 3.125 0.000 5.977) 6.745 18.409 ( 1.153 0.000 1.932) 2.250 18.598 ( -1.856 0.000 3.560) 4.014 18.694 ( 0.886 0.000 -2.565) 2.714 18.876 ( 1.821 0.000 6.852) 7.090 18.951 ( 1.234 0.000 3.765) 3.962 20.148 ( -10.113 0.000 -0.295) 10.117 20.164 ( -9.360 0.000 -0.007) 9.360 20.189 ( -10.578 0.000 0.953) 10.621 20.205 ( -12.288 0.000 -0.409) 12.294 20.236 ( -13.861 0.000 -0.452) 13.868 20.527 ( -39.714 0.000 -19.987) 44.460 22.093 ( 3.620 0.000 0.314) 3.634 22.104 ( 3.319 0.000 -0.170) 3.323 22.110 ( 3.422 0.000 -0.423) 3.448 22.153 ( 1.638 0.000 0.087) 1.641 22.201 ( 1.396 0.000 0.648) 1.539 22.234 ( -0.526 0.000 0.818) 0.973 27.004 ( -0.824 0.000 1.266) 1.511 27.065 ( -0.278 0.000 2.222) 2.240 27.092 ( 0.006 0.000 -1.437) 1.437 27.118 ( 0.321 0.000 -0.163) 0.360 27.582 ( -0.285 0.000 2.719) 2.734 27.646 ( -0.036 0.000 1.202) 1.202 27.654 ( 1.065 0.000 0.865) 1.372 27.672 ( 0.645 0.000 0.975) 1.169 27.759 ( 0.496 0.000 -1.562) 1.639 27.829 ( 0.915 0.000 -2.792) 2.938 28.023 ( 1.884 0.000 0.682) 2.003 28.034 ( 1.968 0.000 0.084) 1.970 36.593 ( -1.296 0.000 -0.575) 1.418 36.710 ( -0.824 0.000 -4.943) 5.011 37.032 ( -0.797 0.000 5.159) 5.220 37.093 ( -2.757 0.000 2.825) 3.947 37.165 ( -1.681 0.000 1.066) 1.990 37.250 ( -2.453 0.000 4.050) 4.735 37.259 ( -0.176 0.000 9.524) 9.525 37.391 ( -5.841 0.000 -2.404) 6.317 37.538 ( -1.128 0.000 1.666) 2.011 37.567 ( -1.837 0.000 5.028) 5.353 37.939 ( 1.712 0.000 -0.741) 1.866 38.050 ( -1.228 0.000 8.273) 8.363 38.174 ( -2.624 0.000 1.511) 3.028 38.202 ( -0.657 0.000 4.546) 4.593 38.271 ( -4.114 0.000 -0.819) 4.195 38.369 ( -0.218 0.000 -10.277) 10.279 38.795 ( 3.785 0.000 -16.841) 17.261 39.257 ( 3.566 0.000 -19.729) 20.049 39.944 ( 19.852 0.000 18.999) 27.479 40.182 ( 8.516 0.000 9.077) 12.447 40.333 ( 38.725 0.000 18.771) 43.035 40.661 ( 15.269 0.000 -4.524) 15.925 40.754 ( 27.083 0.000 1.142) 27.107 40.965 ( 14.053 0.000 0.383) 14.059 ======================= Grid point 115 (59/96) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 2.174 14.600 16.855) 22.405 1.235 ( 0.948 11.236 25.574) 27.950 1.554 ( 0.924 -9.453 12.470) 15.675 1.676 ( 6.870 -8.105 -4.969) 11.729 2.041 ( -4.724 5.930 3.075) 8.181 2.127 ( 5.294 18.035 -16.797) 25.208 2.197 ( -7.022 2.912 2.749) 8.084 2.332 ( 3.872 8.603 -0.853) 9.472 2.475 ( 3.023 -1.683 6.592) 7.445 2.691 ( 0.289 -1.415 -12.833) 12.914 2.893 ( -3.161 5.318 1.704) 6.417 3.002 ( -0.404 2.659 -1.906) 3.296 3.144 ( 0.859 8.274 4.772) 9.590 3.294 ( 2.662 3.502 6.322) 7.702 3.385 ( 2.163 -1.034 2.823) 3.703 3.518 ( -1.795 0.495 -5.603) 5.904 3.557 ( 5.927 -8.394 2.308) 10.532 3.713 ( -1.344 -6.367 -0.226) 6.512 3.778 ( 0.456 0.672 2.135) 2.284 3.822 ( -4.282 0.602 -0.538) 4.357 3.978 ( -6.768 -1.236 -2.770) 7.416 3.986 ( 0.701 3.277 -6.036) 6.904 4.036 ( -1.325 -2.710 3.230) 4.420 4.077 ( 1.041 1.897 9.429) 9.674 4.244 ( 2.928 0.563 1.512) 3.344 4.282 ( 0.161 -4.658 3.755) 5.985 4.360 ( -7.071 -2.602 1.882) 7.766 4.414 ( 1.647 -0.105 -3.749) 4.096 4.512 ( 4.253 -0.588 0.602) 4.335 4.564 ( 2.582 -1.561 -1.428) 3.338 4.665 ( -0.771 0.009 -4.588) 4.652 4.740 ( 2.119 -1.692 -0.980) 2.884 4.875 ( -7.040 -6.206 3.299) 9.947 4.938 ( -6.756 -6.632 0.014) 9.467 5.092 ( 2.774 3.950 5.391) 7.236 5.177 ( 2.467 2.287 1.405) 3.646 5.227 ( 0.337 1.121 -3.261) 3.465 5.318 ( 2.650 -8.765 3.862) 9.938 5.507 ( 1.036 -0.142 -4.585) 4.702 5.588 ( -1.287 -1.627 -0.977) 2.293 5.753 ( 0.291 4.069 4.844) 6.333 5.776 ( -0.913 2.456 0.743) 2.724 5.844 ( -5.067 4.430 4.698) 8.208 5.879 ( 1.371 1.294 0.757) 2.031 5.946 ( 1.476 -1.829 0.837) 2.495 5.983 ( -3.296 3.986 -0.299) 5.181 6.078 ( -1.884 -4.661 -3.531) 6.144 6.094 ( 3.317 -4.070 0.549) 5.279 6.169 ( 0.172 -0.320 -5.939) 5.950 6.303 ( 0.144 1.628 4.800) 5.071 6.375 ( -0.465 -5.435 6.602) 8.564 6.427 ( -6.147 6.650 -1.196) 9.135 6.472 ( -1.215 -2.392 -0.156) 2.687 6.617 ( 1.776 4.552 -7.346) 8.823 6.832 ( 0.536 -4.159 -2.530) 4.898 6.885 ( 1.912 -5.538 -3.292) 6.720 6.986 ( 5.596 0.845 2.253) 6.092 7.017 ( -2.517 -2.735 3.539) 5.132 7.062 ( 4.027 1.581 -4.162) 6.004 7.164 ( -3.104 -0.742 -7.260) 7.931 7.238 ( -3.229 2.624 -1.346) 4.373 7.284 ( 1.579 3.590 -3.931) 5.553 7.341 ( -2.806 -1.370 3.743) 4.875 7.442 ( -0.353 -7.866 -0.703) 7.905 7.460 ( 2.397 0.703 3.176) 4.041 7.524 ( -1.476 6.608 -4.460) 8.108 7.609 ( -1.510 7.379 0.482) 7.548 7.685 ( -0.453 3.905 4.361) 5.872 7.789 ( -1.272 -4.800 2.306) 5.474 7.858 ( 1.623 -4.934 -0.215) 5.199 7.965 ( -0.306 -5.212 2.676) 5.867 8.014 ( -1.519 1.126 -1.706) 2.547 8.049 ( 1.581 -2.757 4.450) 5.469 8.082 ( -0.455 -3.116 3.073) 4.400 8.158 ( -2.059 -0.304 -1.099) 2.354 8.257 ( -2.262 0.353 -6.045) 6.464 8.272 ( -0.814 1.494 1.593) 2.331 8.392 ( 1.139 4.034 -0.110) 4.193 8.474 ( 0.809 -3.479 -0.679) 3.636 8.591 ( 0.324 0.507 1.791) 1.890 8.624 ( 0.440 -4.799 -2.622) 5.486 8.687 ( -2.967 -1.340 -1.103) 3.437 8.807 ( 3.365 6.911 -4.699) 9.009 8.859 ( 1.720 4.486 -4.599) 6.651 8.917 ( 0.021 -0.260 -6.794) 6.799 9.000 ( -1.645 1.750 0.591) 2.473 9.036 ( -2.372 -8.108 -0.765) 8.482 9.148 ( 1.513 1.785 4.207) 4.814 9.170 ( 0.981 -6.799 -3.007) 7.499 9.202 ( -2.206 -1.245 1.601) 2.996 9.352 ( 1.398 2.584 -2.018) 3.564 9.385 ( 1.057 1.690 -5.298) 5.661 9.541 ( -0.740 7.886 -1.018) 7.986 9.589 ( 1.637 9.062 -5.094) 10.524 9.692 ( 0.618 -2.947 0.078) 3.012 9.731 ( 0.053 -3.210 0.271) 3.222 9.799 ( 2.122 -0.329 2.841) 3.561 9.885 ( -0.310 -0.099 -0.973) 1.026 10.032 ( -2.657 0.088 4.105) 4.890 10.090 ( 0.237 -4.553 1.144) 4.701 10.195 ( 1.582 2.162 0.738) 2.779 10.250 ( 0.209 5.208 -0.625) 5.250 10.344 ( 1.051 -1.652 7.502) 7.753 10.507 ( -0.000 -3.836 0.232) 3.843 10.736 ( 2.702 9.626 2.540) 10.315 10.837 ( -5.210 3.502 -1.397) 6.431 11.007 ( 2.326 -3.675 -2.966) 5.265 11.041 ( -2.591 -4.453 -2.579) 5.762 11.259 ( -1.298 2.283 2.112) 3.370 11.410 ( 6.789 3.155 1.236) 7.588 11.475 ( 4.463 1.808 -3.419) 5.906 11.494 ( -0.135 3.451 -1.429) 3.738 11.750 ( -5.046 -10.704 9.843) 15.392 12.028 ( 0.008 -9.415 -2.323) 9.697 12.130 ( -8.712 3.831 5.081) 10.789 12.301 ( 1.854 -5.492 3.533) 6.788 12.457 ( 7.384 1.807 -4.097) 8.636 12.511 ( -1.020 0.130 -3.057) 3.225 12.777 ( -5.313 -4.448 2.216) 7.275 12.790 ( 11.222 -9.310 3.478) 14.991 14.123 ( 0.782 11.693 2.123) 11.910 14.391 ( -1.505 -4.964 -0.343) 5.198 14.464 ( 0.326 2.930 -6.328) 6.981 14.505 ( -0.825 0.705 -7.084) 7.167 14.715 ( -0.856 4.331 0.096) 4.416 14.806 ( 0.171 2.869 -0.758) 2.973 14.865 ( 0.753 2.064 1.997) 2.969 15.005 ( 2.488 -2.373 -2.165) 4.063 16.218 ( -3.319 1.916 -2.316) 4.478 16.361 ( -3.109 -4.704 -2.599) 6.208 16.428 ( 2.326 0.790 -11.288) 11.552 16.530 ( 4.442 -2.330 -9.786) 10.996 16.927 ( 0.640 0.494 -2.018) 2.174 16.999 ( 0.049 -3.161 -4.183) 5.243 17.116 ( -0.199 8.174 5.676) 9.953 17.316 ( 1.133 5.655 -0.590) 5.797 17.399 ( -0.639 -0.689 3.558) 3.680 17.437 ( -0.329 -1.131 1.971) 2.296 17.527 ( 0.900 0.452 1.193) 1.561 17.584 ( -1.285 5.370 -2.317) 5.988 17.641 ( -2.130 -2.604 7.253) 7.996 17.754 ( -1.338 -5.540 0.661) 5.738 17.803 ( -0.341 0.322 -1.397) 1.474 17.855 ( 1.157 -2.033 -0.579) 2.410 17.910 ( -0.293 0.709 -1.704) 1.869 17.915 ( -1.287 0.774 -1.798) 2.342 17.954 ( 0.025 2.566 0.289) 2.583 18.140 ( 1.692 -2.550 -3.144) 4.387 18.263 ( 0.829 2.126 1.992) 3.029 18.284 ( 0.269 2.642 1.362) 2.984 18.396 ( 0.010 -3.463 4.411) 5.609 18.433 ( -0.001 -2.820 2.681) 3.891 18.637 ( -1.722 5.107 2.585) 5.977 18.727 ( 0.417 3.161 -1.424) 3.492 18.898 ( -0.855 -4.083 6.162) 7.441 18.937 ( -1.457 -3.779 3.151) 5.131 20.055 ( -1.704 0.128 -0.286) 1.732 20.058 ( 0.680 0.032 -0.437) 0.808 20.078 ( 0.802 -0.130 -0.032) 0.813 20.079 ( -0.397 -0.159 -0.075) 0.434 20.113 ( 0.183 0.127 0.393) 0.452 20.115 ( -0.267 0.036 0.303) 0.405 22.135 ( 0.354 0.135 0.113) 0.396 22.137 ( 0.885 0.040 0.299) 0.935 22.146 ( 0.348 0.267 -0.443) 0.623 22.159 ( -0.340 -0.287 -0.464) 0.643 22.216 ( -0.411 0.056 0.869) 0.963 22.223 ( -1.145 -0.151 0.692) 1.346 27.013 ( -0.276 0.804 1.567) 1.782 27.056 ( -0.199 -1.341 0.930) 1.644 27.096 ( -0.099 0.880 -0.339) 0.948 27.118 ( 0.052 -0.309 -0.134) 0.340 27.602 ( -0.676 0.746 2.789) 2.965 27.640 ( -0.678 -1.013 1.959) 2.308 27.672 ( -0.188 0.126 0.572) 0.616 27.674 ( -0.736 0.032 0.355) 0.818 27.777 ( 1.388 0.900 -1.509) 2.239 27.816 ( 0.911 -0.816 -2.789) 3.046 28.048 ( 0.203 0.149 0.399) 0.472 28.054 ( 0.290 -0.109 0.036) 0.312 36.603 ( 0.686 1.594 -0.597) 1.836 36.664 ( 0.811 -1.165 -3.757) 4.016 37.069 ( 0.100 -0.452 4.237) 4.262 37.085 ( 0.486 -0.908 2.040) 2.285 37.154 ( 0.424 0.073 2.432) 2.470 37.214 ( -0.538 -2.799 4.032) 4.937 37.310 ( -1.225 0.940 -2.556) 2.986 37.321 ( -0.920 1.359 1.178) 2.020 37.545 ( 1.428 -2.106 9.274) 9.617 37.560 ( 0.685 -2.260 7.956) 8.299 38.030 ( -0.331 3.911 0.775) 4.001 38.127 ( 0.556 0.709 -0.778) 1.191 38.147 ( -1.196 6.009 3.034) 6.837 38.223 ( -0.870 3.410 2.921) 4.574 38.319 ( -1.693 3.626 -1.316) 4.213 38.441 ( 1.315 10.888 1.280) 11.041 38.598 ( -1.779 -6.121 -17.674) 18.788 39.023 ( -0.574 -12.000 -15.208) 19.381 40.244 ( 1.708 6.233 8.760) 10.886 40.409 ( 0.253 5.651 4.943) 7.512 40.629 ( 0.446 -3.367 -2.617) 4.287 40.682 ( 1.478 -8.351 -6.407) 10.629 41.050 ( -2.888 -0.099 -0.400) 2.917 41.141 ( 4.075 -3.942 -3.803) 6.827 ======================= Grid point 116 (60/96) ======================= q-point: ( 0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 14.666 12.453 15.591) 24.764 1.483 ( 10.226 19.159 13.082) 25.353 1.742 ( 9.626 -2.002 12.539) 15.934 1.803 ( 9.258 2.595 -7.418) 12.144 2.030 ( 3.787 -3.954 0.923) 5.552 2.091 ( 6.797 9.374 -20.388) 23.446 2.169 ( 0.360 -2.296 6.429) 6.836 2.412 ( 7.021 4.117 -3.041) 8.688 2.488 ( -4.207 -4.035 -7.701) 9.659 2.644 ( 4.820 -4.556 -6.514) 9.296 2.862 ( -1.516 3.030 3.664) 4.990 3.043 ( 2.837 4.047 4.344) 6.580 3.199 ( -1.747 8.010 9.790) 12.769 3.278 ( -5.008 4.578 -0.354) 6.795 3.348 ( -6.658 0.700 1.466) 6.853 3.472 ( 1.784 2.352 -1.958) 3.543 3.619 ( -2.272 -1.756 -2.996) 4.149 3.693 ( -0.873 -2.790 -0.505) 2.967 3.736 ( -3.517 -0.003 0.337) 3.533 3.769 ( -0.154 3.178 2.590) 4.103 3.810 ( -6.698 4.736 -3.492) 8.916 4.060 ( 7.237 0.453 -4.589) 8.581 4.085 ( 0.200 -7.479 8.207) 11.105 4.214 ( -6.778 -1.507 -1.280) 7.060 4.218 ( 3.678 2.559 2.203) 4.993 4.292 ( 3.994 -4.370 6.004) 8.432 4.410 ( 2.305 -4.370 0.214) 4.945 4.465 ( 9.809 -3.129 4.702) 11.319 4.511 ( -0.482 3.868 -3.733) 5.398 4.598 ( -2.136 -6.639 -3.168) 7.660 4.701 ( 8.297 -1.723 1.838) 8.671 4.790 ( 3.896 1.925 -0.475) 4.371 4.842 ( 1.908 -11.130 3.134) 11.720 4.892 ( 0.729 -5.066 0.688) 5.164 5.176 ( 3.525 5.317 -1.000) 6.457 5.254 ( 4.244 2.083 0.506) 4.755 5.268 ( 6.197 2.757 2.496) 7.227 5.398 ( 4.697 -6.158 -5.077) 9.261 5.506 ( 3.085 0.294 -0.998) 3.255 5.568 ( 0.875 -4.362 -5.337) 6.949 5.711 ( -1.105 7.265 1.325) 7.467 5.808 ( 0.775 1.967 2.344) 3.157 5.908 ( 3.638 2.567 0.658) 4.501 5.925 ( 1.114 0.596 8.195) 8.292 5.955 ( 2.769 1.828 -1.034) 3.476 6.050 ( 0.973 -2.528 2.712) 3.833 6.061 ( 8.755 -0.927 3.034) 9.312 6.172 ( 5.592 4.562 -2.944) 7.794 6.209 ( 4.827 -4.704 1.318) 6.868 6.332 ( 0.763 7.726 -2.565) 8.177 6.398 ( 3.674 -5.409 5.324) 8.432 6.464 ( 1.941 -8.728 0.185) 8.943 6.511 ( 9.150 0.038 2.732) 9.549 6.657 ( 7.011 4.097 -4.600) 9.333 6.821 ( 1.163 0.129 -3.012) 3.232 6.914 ( 2.538 -6.254 -0.873) 6.806 6.987 ( 0.265 2.390 -1.952) 3.097 7.030 ( -0.561 -5.814 0.569) 5.869 7.094 ( 0.249 1.468 -3.598) 3.894 7.145 ( 5.480 -0.707 -5.366) 7.702 7.185 ( -0.204 1.955 -0.272) 1.984 7.289 ( 0.894 -0.257 -2.140) 2.334 7.361 ( 0.759 -1.145 5.717) 5.880 7.380 ( -3.825 -4.132 -0.357) 5.642 7.502 ( 2.823 8.848 -1.040) 9.346 7.552 ( 5.558 7.301 -0.230) 9.179 7.665 ( 4.109 0.896 3.747) 5.633 7.759 ( 3.713 3.384 6.870) 8.511 7.792 ( 2.392 -3.112 -2.244) 4.521 7.877 ( 1.656 -6.802 -4.653) 8.406 7.972 ( -0.979 -0.455 -0.825) 1.359 8.000 ( 0.693 0.421 5.412) 5.472 8.063 ( -1.731 2.110 -0.838) 2.855 8.136 ( 0.166 -4.141 3.831) 5.644 8.138 ( -1.114 -1.330 4.862) 5.162 8.200 ( 2.626 -3.245 -4.225) 5.940 8.270 ( -0.138 1.773 0.735) 1.924 8.404 ( 0.888 -0.394 -0.081) 0.975 8.510 ( 1.200 -3.251 0.051) 3.465 8.587 ( 1.146 0.945 -3.432) 3.739 8.629 ( -0.952 -7.553 1.499) 7.759 8.651 ( 0.620 -2.041 1.504) 2.610 8.763 ( -1.980 5.430 -9.834) 11.407 8.855 ( 1.151 5.873 -2.851) 6.629 8.900 ( 0.218 0.527 -0.906) 1.070 8.971 ( -0.312 0.337 -0.641) 0.789 9.031 ( 0.704 -2.544 2.275) 3.485 9.107 ( -2.710 -4.442 -6.098) 8.016 9.178 ( -2.670 -1.967 3.615) 4.906 9.210 ( 0.490 -1.847 2.007) 2.771 9.340 ( -1.326 4.230 -1.147) 4.579 9.356 ( 0.108 3.508 -4.743) 5.900 9.509 ( -1.981 7.039 -0.468) 7.327 9.547 ( -2.331 8.992 -3.549) 9.943 9.675 ( -2.375 -2.845 -1.043) 3.850 9.717 ( -2.212 -2.823 -0.001) 3.587 9.838 ( -0.820 0.318 2.817) 2.951 9.853 ( -1.869 1.150 -1.499) 2.658 9.992 ( -3.893 -3.953 2.097) 5.931 10.094 ( -1.480 -6.330 2.495) 6.963 10.170 ( -3.348 3.744 -0.948) 5.111 10.263 ( 0.359 3.185 -0.319) 3.221 10.386 ( -2.047 -2.122 5.825) 6.529 10.472 ( -3.005 -2.532 -2.124) 4.467 10.702 ( -7.984 5.645 -1.752) 9.933 10.777 ( -1.202 4.354 3.001) 5.423 10.930 ( -6.294 -1.813 -2.633) 7.060 10.970 ( -6.717 -6.560 -0.672) 9.413 11.216 ( -4.315 7.269 1.896) 8.664 11.334 ( -12.682 7.102 -4.506) 15.218 11.432 ( -3.127 6.206 -2.109) 7.262 11.470 ( -6.109 -2.724 -1.661) 6.892 11.724 ( -4.111 -9.402 5.747) 11.762 11.987 ( -3.952 -3.113 1.391) 5.220 12.089 ( -0.016 -0.171 8.917) 8.918 12.284 ( -6.057 -10.597 1.699) 12.324 12.443 ( -0.837 1.321 -7.101) 7.271 12.514 ( -1.524 -2.573 -3.879) 4.898 12.750 ( 8.613 6.336 1.010) 10.740 13.089 ( 13.956 -14.336 -1.327) 20.052 14.127 ( -3.006 9.426 4.147) 10.728 14.306 ( -6.212 0.927 -5.393) 8.278 14.331 ( -7.203 -2.613 -3.056) 8.249 14.445 ( -3.733 -2.236 -0.968) 4.458 14.682 ( -2.811 6.929 1.419) 7.611 14.810 ( 0.387 1.080 -0.060) 1.149 14.879 ( -0.347 2.447 0.621) 2.548 15.017 ( 1.313 -2.711 -3.311) 4.476 16.181 ( 0.226 1.623 -0.643) 1.760 16.303 ( -2.079 -4.781 0.411) 5.230 16.428 ( 6.188 3.051 -9.480) 11.725 16.555 ( 5.451 -2.514 -7.271) 9.429 16.940 ( 1.658 -0.579 -0.275) 1.778 16.977 ( 0.964 -2.912 -4.002) 5.042 17.144 ( -1.124 9.214 5.302) 10.690 17.330 ( 1.340 5.169 -1.462) 5.537 17.398 ( -1.563 2.868 3.619) 4.875 17.453 ( -0.124 -1.820 2.537) 3.125 17.538 ( -1.273 4.499 -2.402) 5.257 17.563 ( 1.506 -0.464 1.321) 2.056 17.644 ( -2.820 -1.724 4.999) 5.993 17.724 ( -2.151 -4.023 -0.346) 4.575 17.770 ( -2.789 -1.384 1.422) 3.423 17.850 ( -1.640 -3.447 0.814) 3.903 17.876 ( -2.256 1.337 -0.097) 2.624 17.899 ( -0.676 -0.054 0.159) 0.697 17.958 ( 1.305 2.822 -1.835) 3.610 18.128 ( 0.539 -2.957 -5.677) 6.424 18.258 ( -1.349 3.794 -0.007) 4.027 18.305 ( 0.300 1.199 1.564) 1.994 18.407 ( -2.147 -1.838 3.801) 4.736 18.439 ( -0.799 -3.977 1.565) 4.348 18.616 ( -2.530 4.554 2.924) 5.974 18.725 ( 0.494 1.696 -1.173) 2.120 18.895 ( -3.787 -3.586 5.173) 7.345 18.924 ( -2.371 -2.788 2.540) 4.455 20.162 ( 11.432 0.307 -0.384) 11.443 20.170 ( 11.110 -0.052 -0.179) 11.112 20.195 ( 11.767 0.423 0.010) 11.775 20.217 ( 13.151 0.178 0.408) 13.159 20.225 ( 13.218 -0.145 1.110) 13.266 20.277 ( 19.786 -1.923 -5.257) 20.563 22.107 ( -3.195 0.500 -0.404) 3.260 22.122 ( -2.605 0.181 -0.712) 2.707 22.126 ( -2.685 -0.273 -0.848) 2.829 22.135 ( -1.816 -0.277 0.377) 1.875 22.200 ( -2.166 0.185 1.067) 2.421 22.211 ( -1.153 -0.339 1.565) 1.973 27.023 ( -0.026 0.673 1.747) 1.872 27.057 ( -0.068 -1.063 0.272) 1.099 27.093 ( -0.118 0.839 -0.053) 0.849 27.117 ( 0.060 -0.401 -0.323) 0.519 27.604 ( -1.376 0.681 2.741) 3.142 27.634 ( -1.592 -0.544 1.804) 2.467 27.654 ( -1.536 0.006 0.174) 1.545 27.662 ( -1.410 -0.156 0.579) 1.533 27.793 ( 1.568 0.385 -1.595) 2.270 27.811 ( 0.929 -0.425 -2.794) 2.975 28.038 ( -1.557 0.149 0.196) 1.576 28.044 ( -1.341 -0.114 -0.164) 1.356 36.625 ( 2.216 1.106 -0.420) 2.512 36.664 ( 2.343 -0.611 -3.768) 4.479 37.098 ( 1.103 -1.344 1.732) 2.455 37.133 ( 2.303 -3.292 1.410) 4.258 37.221 ( 4.444 0.960 4.927) 6.704 37.250 ( 2.025 -0.143 1.234) 2.376 37.294 ( 1.458 0.832 -0.262) 1.699 37.327 ( 1.384 0.401 -0.679) 1.593 37.638 ( 1.839 -0.527 6.818) 7.082 37.644 ( 2.237 -1.091 7.131) 7.553 38.034 ( -1.716 6.232 0.436) 6.479 38.114 ( 0.071 6.417 -1.942) 6.705 38.143 ( 1.176 -0.904 0.421) 1.542 38.253 ( 2.710 2.947 0.094) 4.005 38.290 ( -1.314 3.616 0.503) 3.880 38.415 ( -3.954 -4.515 -10.195) 11.831 38.525 ( 0.726 5.304 9.329) 10.756 38.869 ( -3.271 -7.264 -16.371) 18.207 40.224 ( -10.613 2.755 6.334) 12.663 40.351 ( -9.796 2.015 0.956) 10.047 40.435 ( -20.769 -3.182 2.860) 21.205 40.504 ( -14.965 -6.596 -6.993) 17.787 40.840 ( -20.248 2.049 0.431) 20.356 40.960 ( -17.940 -2.770 0.312) 18.155 ======================= Grid point 117 (61/96) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 10.303 13.527 8.120) 18.844 1.775 ( 11.915 7.984 0.909) 14.372 1.892 ( 11.838 8.607 -5.994) 15.816 2.003 ( 14.120 -0.409 -4.935) 14.963 2.087 ( 6.103 2.643 -10.825) 12.705 2.091 ( 3.684 4.100 -2.718) 6.146 2.351 ( 9.093 -7.367 14.669) 18.765 2.382 ( -0.564 -4.552 -3.475) 5.754 2.519 ( 5.455 0.622 1.892) 5.807 2.680 ( 4.786 -4.049 -6.025) 8.695 2.922 ( 4.213 -1.079 3.939) 5.868 3.063 ( -3.532 -3.813 0.107) 5.198 3.185 ( -3.559 5.664 -2.325) 7.081 3.202 ( -5.967 9.559 1.525) 11.372 3.241 ( -2.631 1.142 2.595) 3.868 3.486 ( -1.147 5.413 -2.634) 6.128 3.529 ( -4.708 0.153 0.764) 4.772 3.614 ( -0.630 0.969 -12.255) 12.309 3.692 ( -2.429 1.405 0.440) 2.840 3.784 ( -1.130 4.192 9.456) 10.406 3.817 ( 0.456 6.345 7.533) 9.860 4.035 ( -7.370 -5.522 -1.710) 9.366 4.103 ( -2.346 -4.868 0.094) 5.404 4.172 ( -1.383 -0.876 -1.910) 2.515 4.194 ( 3.094 -0.169 3.255) 4.494 4.387 ( -1.758 1.433 -2.251) 3.195 4.507 ( 6.388 -4.225 -2.811) 8.159 4.523 ( 7.392 -2.949 0.877) 8.007 4.585 ( 4.670 -8.394 1.654) 9.747 4.689 ( 8.319 -0.855 7.335) 11.124 4.818 ( 2.697 0.378 1.333) 3.032 4.869 ( 3.536 0.704 5.571) 6.636 4.932 ( 5.479 -2.905 -0.471) 6.219 5.013 ( 10.306 -10.439 4.281) 15.281 5.218 ( 4.570 6.476 -4.792) 9.262 5.351 ( 5.626 1.424 -1.686) 6.043 5.397 ( 7.571 -1.816 -1.062) 7.858 5.445 ( 7.394 0.444 -5.902) 9.471 5.505 ( -0.660 0.692 -6.735) 6.803 5.606 ( 4.204 -1.757 4.794) 6.614 5.737 ( 1.801 2.894 2.197) 4.055 5.900 ( 4.189 1.850 4.259) 6.254 5.925 ( 0.363 -2.510 0.333) 2.558 5.994 ( 6.435 0.490 0.871) 6.512 6.065 ( 5.554 3.613 0.425) 6.640 6.105 ( 1.145 -1.260 1.208) 2.087 6.245 ( 6.996 4.769 -1.765) 8.649 6.278 ( 8.225 5.849 7.219) 12.409 6.337 ( 8.025 -2.514 1.299) 8.509 6.424 ( 7.937 4.399 4.420) 10.094 6.451 ( 5.114 -2.804 -3.413) 6.757 6.571 ( 5.210 -6.021 3.613) 8.744 6.710 ( 7.353 -0.420 6.030) 9.519 6.746 ( 6.527 -4.143 -2.907) 8.259 6.858 ( 5.760 -1.150 -2.060) 6.224 6.964 ( 2.538 -6.218 0.560) 6.740 6.991 ( 0.806 3.261 -4.252) 5.418 7.036 ( 0.921 2.535 3.632) 4.524 7.075 ( 4.648 1.910 -10.449) 11.594 7.151 ( 4.647 -0.809 -5.619) 7.337 7.239 ( 4.177 -2.963 -1.288) 5.281 7.327 ( 4.409 -4.681 -1.039) 6.514 7.340 ( 0.568 1.229 1.098) 1.743 7.461 ( 5.357 -0.248 8.102) 9.716 7.567 ( 5.126 1.832 -3.085) 6.257 7.702 ( 8.793 6.231 4.424) 11.649 7.757 ( 5.569 2.548 -1.796) 6.382 7.821 ( 0.765 -6.587 -3.653) 7.571 7.838 ( 0.433 0.231 6.698) 6.716 7.924 ( 3.833 3.917 1.593) 5.707 7.960 ( 1.580 -2.073 -0.055) 2.607 8.006 ( -1.394 -0.832 -3.351) 3.724 8.065 ( 1.549 -0.862 3.593) 4.007 8.141 ( -0.466 -0.954 3.773) 3.919 8.198 ( 1.292 0.698 8.226) 8.356 8.251 ( 4.033 -4.277 0.412) 5.893 8.293 ( 2.043 0.316 -0.338) 2.094 8.419 ( 0.990 -3.962 0.020) 4.084 8.517 ( -0.558 -0.870 -1.657) 1.953 8.571 ( 0.836 1.358 -3.935) 4.246 8.626 ( 0.080 0.677 -1.069) 1.268 8.653 ( -0.338 -0.828 -3.387) 3.503 8.719 ( 1.087 -5.651 3.828) 6.911 8.827 ( -2.849 4.523 -0.543) 5.373 8.882 ( -1.050 -2.404 -3.184) 4.125 8.984 ( 0.733 2.916 -0.117) 3.009 8.997 ( -3.984 2.787 -0.629) 4.903 9.085 ( 1.190 -5.406 0.427) 5.552 9.137 ( -2.574 -0.404 0.912) 2.761 9.204 ( -0.883 -1.851 -1.236) 2.395 9.292 ( -3.658 3.398 -0.848) 5.064 9.326 ( 0.011 3.400 -3.763) 5.071 9.461 ( -2.719 6.155 -2.300) 7.111 9.486 ( -2.842 7.550 1.896) 8.287 9.590 ( -5.802 -2.082 -2.359) 6.601 9.644 ( -5.382 -1.165 -1.051) 5.606 9.784 ( -4.204 0.332 0.538) 4.251 9.827 ( -3.523 2.411 3.192) 5.331 9.939 ( -2.932 -5.114 -0.632) 5.929 10.042 ( -6.673 0.502 -0.301) 6.698 10.097 ( -3.664 -3.325 -0.728) 5.001 10.233 ( -4.722 -0.503 0.846) 4.824 10.348 ( -5.349 -2.571 -0.538) 5.959 10.382 ( -4.969 -0.305 -0.446) 4.998 10.561 ( -6.542 5.824 -0.302) 8.764 10.703 ( -8.961 0.807 2.080) 9.235 10.759 ( -11.698 -1.116 -2.019) 11.923 10.845 ( -6.130 -5.257 0.842) 8.119 11.031 ( -14.530 8.425 -4.660) 17.430 11.125 ( -8.934 6.097 -1.747) 10.957 11.286 ( -10.015 7.591 -2.111) 12.743 11.356 ( -3.425 0.517 -0.224) 3.470 11.667 ( -5.927 -9.305 1.470) 11.130 11.887 ( -8.587 -9.835 -3.683) 13.565 12.097 ( -8.540 0.995 1.942) 8.814 12.210 ( 1.502 -2.552 7.036) 7.634 12.445 ( 4.727 -0.568 -2.412) 5.337 12.518 ( 3.140 -2.904 -0.008) 4.277 12.877 ( 4.590 7.401 -3.022) 9.218 13.234 ( 5.375 -11.342 -4.689) 13.399 14.082 ( -5.032 4.904 4.284) 8.230 14.134 ( -6.757 4.455 -2.559) 8.489 14.245 ( -2.616 -4.050 0.076) 4.822 14.365 ( -5.645 -4.867 2.225) 7.778 14.646 ( -2.175 7.532 0.696) 7.871 14.808 ( -1.088 -0.732 0.767) 1.520 14.864 ( -0.545 3.418 -2.095) 4.046 15.001 ( 0.347 -2.892 -4.936) 5.731 16.209 ( 2.235 1.250 1.663) 3.054 16.296 ( 0.172 -3.189 1.867) 3.699 16.493 ( 7.457 2.747 -6.136) 10.040 16.607 ( 5.360 -2.186 -4.719) 7.469 16.964 ( 1.764 -1.122 -2.710) 3.423 16.985 ( 2.058 -2.323 0.111) 3.105 17.163 ( -0.164 7.391 3.304) 8.098 17.327 ( 0.632 3.115 -4.603) 5.593 17.411 ( -0.795 2.630 5.618) 6.254 17.471 ( -0.342 -0.846 3.352) 3.474 17.502 ( -0.167 3.037 -3.152) 4.380 17.597 ( 0.716 1.223 0.470) 1.493 17.622 ( -2.511 -0.884 3.131) 4.109 17.671 ( -3.326 -0.955 -0.593) 3.511 17.746 ( -1.730 -2.869 2.789) 4.359 17.827 ( -2.333 -4.313 3.374) 5.953 17.839 ( -2.253 0.910 1.375) 2.792 17.882 ( -1.626 -1.940 0.437) 2.569 17.965 ( 1.561 2.681 -3.596) 4.749 18.086 ( 0.433 -0.601 -6.724) 6.765 18.232 ( -1.465 3.337 -0.263) 3.654 18.310 ( -0.489 0.870 0.066) 1.000 18.387 ( -2.567 -1.117 2.134) 3.520 18.427 ( -1.068 -4.528 -0.337) 4.664 18.596 ( -2.390 4.290 3.318) 5.926 18.728 ( 0.560 -0.077 -0.625) 0.842 18.861 ( -3.716 -2.083 3.957) 5.814 18.894 ( -2.465 -1.745 1.201) 3.250 20.412 ( 16.995 -0.397 -0.621) 17.011 20.420 ( 16.981 -0.780 0.455) 17.005 20.471 ( 19.287 2.682 -2.205) 19.597 20.503 ( 19.126 2.534 2.057) 19.403 20.595 ( 23.075 -3.108 -0.363) 23.286 20.609 ( 22.601 -2.448 -1.595) 22.789 22.019 ( -6.480 0.593 -0.751) 6.550 22.039 ( -5.970 0.071 -1.282) 6.106 22.045 ( -5.906 0.080 -1.177) 6.023 22.080 ( -4.959 -1.174 0.435) 5.115 22.160 ( -3.605 1.154 1.546) 4.089 22.201 ( -1.716 -0.820 2.372) 3.040 27.035 ( -0.092 0.337 1.650) 1.687 27.058 ( -0.147 -0.888 0.269) 0.939 27.091 ( 0.119 0.915 -0.376) 0.996 27.115 ( 0.174 -0.340 -0.630) 0.736 27.595 ( -1.776 0.620 2.475) 3.108 27.610 ( -1.964 0.498 0.667) 2.133 27.630 ( -1.938 -0.724 1.281) 2.433 27.638 ( -1.545 -0.479 0.542) 1.706 27.807 ( 1.471 0.019 -1.892) 2.396 27.808 ( 1.198 -0.015 -2.510) 2.782 28.002 ( -2.461 0.185 -0.112) 2.470 28.009 ( -2.173 -0.150 -0.458) 2.226 36.671 ( 3.343 0.600 -0.535) 3.438 36.688 ( 3.592 -0.139 -3.852) 5.269 37.131 ( 1.659 -1.967 0.040) 2.574 37.181 ( 2.382 -4.025 0.954) 4.774 37.286 ( 3.173 3.945 -3.090) 5.931 37.328 ( 2.755 1.358 1.163) 3.284 37.366 ( 4.778 -1.118 2.260) 5.403 37.405 ( 7.815 -0.179 4.799) 9.173 37.706 ( 2.784 -0.416 0.024) 2.816 37.729 ( 3.907 -0.320 1.204) 4.101 37.974 ( -3.706 7.141 0.923) 8.098 38.103 ( -3.734 -0.746 -0.860) 3.903 38.161 ( 1.241 3.937 0.781) 4.201 38.276 ( 2.764 -2.584 -0.429) 3.808 38.340 ( 1.834 2.287 2.409) 3.794 38.356 ( 4.432 3.649 2.277) 6.175 38.610 ( -0.218 0.178 10.058) 10.062 38.685 ( -3.857 -2.122 -13.938) 14.617 39.957 ( -22.589 -5.108 0.848) 23.175 39.999 ( -28.213 -4.272 0.264) 28.536 40.084 ( -23.823 -0.591 -1.611) 23.885 40.129 ( -20.125 -2.453 -1.440) 20.325 40.411 ( -26.075 7.888 0.029) 27.243 40.600 ( -23.002 -2.204 0.343) 23.109 ======================= Grid point 118 (62/96) ======================= q-point: ( 0.30 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 10.164 2.686 -4.321) 11.367 1.868 ( 5.837 4.011 -8.904) 11.377 1.990 ( 2.382 1.539 -7.810) 8.309 2.111 ( 10.461 -4.520 -7.849) 13.837 2.194 ( 10.111 12.530 -2.069) 16.233 2.306 ( 11.854 3.440 6.670) 14.030 2.408 ( 3.910 -4.903 1.707) 6.499 2.524 ( 1.655 0.353 4.110) 4.445 2.614 ( -0.382 -0.668 0.959) 1.230 2.707 ( 1.270 -3.394 -4.060) 5.442 2.960 ( -2.355 -2.450 2.998) 4.532 3.048 ( 1.507 -4.735 3.521) 6.090 3.056 ( -4.436 8.463 -6.164) 11.371 3.158 ( 1.850 8.459 -1.691) 8.823 3.280 ( 2.029 -0.572 0.917) 2.299 3.392 ( -7.236 1.340 3.186) 8.019 3.456 ( -1.620 4.235 0.223) 4.540 3.584 ( -2.004 -3.184 -6.823) 7.791 3.612 ( -3.830 -1.566 -1.315) 4.342 3.737 ( -2.558 -0.204 -0.700) 2.659 3.873 ( -0.111 3.291 4.767) 5.794 3.964 ( -3.108 2.387 4.589) 6.035 4.052 ( -0.605 0.628 -1.856) 2.051 4.176 ( -4.909 3.666 1.463) 6.299 4.238 ( 2.429 -1.775 7.589) 8.164 4.405 ( 6.520 0.671 -1.436) 6.710 4.586 ( 5.619 -1.671 -1.896) 6.161 4.645 ( 5.739 -4.569 1.121) 7.421 4.736 ( 5.681 -3.070 1.652) 6.665 4.788 ( 1.695 -1.423 -2.881) 3.633 4.889 ( 4.871 3.200 4.272) 7.226 4.990 ( 2.014 -3.477 12.115) 12.764 5.049 ( 7.289 -0.743 0.791) 7.370 5.208 ( 7.256 -9.062 2.497) 11.874 5.274 ( 6.918 6.804 -6.124) 11.474 5.404 ( 0.871 0.676 -5.556) 5.664 5.444 ( 8.067 -3.639 -9.839) 13.234 5.547 ( 3.637 2.395 3.195) 5.401 5.572 ( 8.806 -1.121 4.234) 9.835 5.696 ( 0.420 -4.752 4.231) 6.377 5.802 ( 4.237 3.065 1.242) 5.375 5.948 ( 1.952 -1.560 -0.058) 2.500 5.972 ( 0.496 3.707 3.676) 5.244 6.098 ( -1.705 -0.420 1.325) 2.200 6.123 ( 6.620 0.681 0.545) 6.677 6.172 ( 7.130 0.832 -1.395) 7.313 6.326 ( 4.810 8.939 -2.249) 10.397 6.404 ( -1.917 -0.877 -2.147) 3.009 6.468 ( 4.370 -2.165 -1.970) 5.260 6.511 ( 7.752 -0.467 8.505) 11.517 6.613 ( -0.658 -0.730 -0.964) 1.377 6.707 ( 12.138 1.562 4.709) 13.112 6.787 ( 2.100 2.886 -2.316) 4.255 6.870 ( -1.567 0.002 5.037) 5.275 6.900 ( 3.767 -7.486 1.275) 8.477 6.992 ( 1.808 -5.200 4.901) 7.371 7.018 ( 9.836 1.288 -3.139) 10.404 7.141 ( 11.064 -0.414 -12.028) 16.348 7.203 ( 9.994 0.812 0.116) 10.028 7.248 ( 8.778 3.157 4.681) 10.438 7.328 ( 8.705 -2.660 -2.249) 9.376 7.396 ( 6.450 -5.446 -2.176) 8.717 7.451 ( 10.087 2.316 -0.227) 10.352 7.602 ( 2.545 3.430 1.454) 4.512 7.661 ( 7.836 -3.276 2.769) 8.934 7.784 ( 2.645 -1.541 -5.614) 6.394 7.828 ( 2.506 -0.222 -4.300) 4.982 7.855 ( 0.595 -2.691 5.525) 6.174 7.897 ( 2.043 0.492 -1.071) 2.358 7.942 ( -1.599 -2.396 4.154) 5.055 7.948 ( 1.835 -3.357 0.634) 3.878 8.040 ( -2.021 -0.816 2.403) 3.244 8.107 ( 4.818 1.262 -2.356) 5.510 8.187 ( 1.844 1.526 3.684) 4.393 8.285 ( 1.824 0.369 1.250) 2.242 8.295 ( 1.595 2.250 5.654) 6.290 8.388 ( 4.180 3.982 3.804) 6.913 8.456 ( 2.160 1.494 -1.360) 2.958 8.485 ( 3.531 -2.952 0.312) 4.612 8.562 ( -0.515 0.010 0.365) 0.631 8.604 ( -0.487 -0.185 -4.163) 4.195 8.674 ( 2.140 -3.359 0.004) 3.983 8.720 ( -6.304 -7.138 1.042) 9.580 8.795 ( -0.694 -1.149 0.616) 1.477 8.825 ( 0.185 1.371 3.717) 3.966 8.914 ( -4.564 5.831 -0.896) 7.459 9.028 ( 0.389 1.094 0.946) 1.498 9.053 ( 0.356 1.905 1.258) 2.311 9.152 ( -0.450 -1.163 1.079) 1.649 9.174 ( -2.852 0.761 -0.711) 3.036 9.206 ( -1.969 -1.659 -3.707) 4.513 9.287 ( -1.768 0.106 -3.497) 3.920 9.397 ( -3.023 3.942 -1.336) 5.144 9.424 ( -4.595 4.195 -5.843) 8.535 9.472 ( -6.482 0.660 2.312) 6.913 9.558 ( -3.892 3.279 3.742) 6.316 9.728 ( -3.267 0.426 4.654) 5.702 9.798 ( -0.792 0.851 0.336) 1.210 9.868 ( -6.150 0.265 0.538) 6.179 9.886 ( -8.745 -1.343 0.059) 8.848 10.000 ( -6.208 -5.529 -3.091) 8.869 10.076 ( -11.457 -4.856 -1.626) 12.549 10.227 ( -6.642 -0.267 -2.349) 7.050 10.281 ( -6.544 -0.863 -1.888) 6.865 10.452 ( -7.883 5.454 -0.570) 9.603 10.523 ( -13.824 3.994 -0.403) 14.395 10.571 ( -6.121 1.687 0.687) 6.386 10.722 ( -5.695 -2.946 4.919) 8.081 10.840 ( -6.011 0.098 -5.728) 8.304 10.889 ( -10.849 0.353 -8.598) 13.847 11.120 ( -6.641 11.226 -1.847) 13.173 11.339 ( -0.798 2.322 3.590) 4.349 11.534 ( -8.318 -7.548 -3.310) 11.710 11.684 ( -7.600 -10.922 -3.983) 13.889 12.002 ( -4.274 6.239 -0.615) 7.588 12.236 ( -3.738 -6.224 0.874) 7.313 12.541 ( 5.285 0.238 3.196) 6.181 12.600 ( 4.347 -2.851 3.670) 6.363 12.883 ( 0.280 8.949 -2.161) 9.210 13.233 ( -0.186 -8.250 -5.459) 9.895 14.047 ( -0.586 2.158 0.550) 2.303 14.054 ( -4.293 4.514 4.915) 7.935 14.221 ( 0.134 -4.686 -1.184) 4.835 14.286 ( -5.638 -5.389 3.308) 8.472 14.619 ( -1.192 7.496 0.444) 7.603 14.775 ( -3.034 -0.359 0.047) 3.055 14.844 ( 1.112 2.219 -4.113) 4.804 14.958 ( -0.487 -3.042 -6.101) 6.834 16.273 ( 2.546 0.865 3.860) 4.705 16.327 ( 0.915 -1.780 3.409) 3.953 16.585 ( 6.883 1.874 -3.661) 8.018 16.665 ( 4.407 -1.398 -3.265) 5.660 16.976 ( 1.977 -0.205 -2.529) 3.217 17.027 ( 1.807 -2.387 0.942) 3.138 17.190 ( 1.410 4.597 0.627) 4.849 17.291 ( 0.255 1.324 -6.259) 6.402 17.444 ( 0.062 1.544 4.064) 4.347 17.480 ( -1.171 0.072 3.085) 3.300 17.494 ( 0.112 2.384 0.263) 2.401 17.574 ( -0.624 -1.818 -4.200) 4.619 17.599 ( -3.118 2.987 0.454) 4.342 17.626 ( -2.246 0.876 3.371) 4.144 17.752 ( 0.266 -3.065 2.608) 4.033 17.817 ( -0.885 -4.264 1.556) 4.624 17.835 ( -1.259 -1.779 5.330) 5.758 17.852 ( -2.239 -1.722 2.121) 3.532 17.958 ( 1.212 3.282 -4.530) 5.723 18.055 ( 0.913 2.055 -4.849) 5.345 18.203 ( -1.636 2.325 -0.146) 2.847 18.291 ( -0.785 0.434 -1.880) 2.083 18.347 ( -2.505 -1.106 -0.932) 2.893 18.397 ( -1.316 -4.331 -2.249) 5.054 18.585 ( -2.017 4.373 4.233) 6.412 18.733 ( 0.247 -1.422 0.009) 1.443 18.828 ( -2.941 -0.627 2.828) 4.128 18.860 ( -1.740 -1.063 -0.064) 2.040 20.730 ( 19.609 -0.488 -1.130) 19.647 20.754 ( 19.777 -1.699 1.130) 19.882 20.796 ( 20.355 2.741 -4.307) 20.985 20.896 ( 21.322 4.393 4.357) 22.202 20.912 ( 20.701 -2.014 -8.301) 22.394 21.086 ( 22.141 -4.090 12.239) 25.627 21.867 ( -10.152 0.652 -0.976) 10.219 21.893 ( -9.656 0.309 -1.553) 9.785 21.901 ( -9.403 0.123 -1.213) 9.481 21.966 ( -8.425 -2.413 0.405) 8.773 22.093 ( -5.650 2.886 1.808) 6.597 22.186 ( -2.251 -1.761 2.950) 4.107 27.043 ( -0.339 0.001 1.458) 1.497 27.055 ( -0.588 -0.685 0.699) 1.141 27.094 ( 0.772 0.826 -0.933) 1.466 27.113 ( 0.278 -0.179 -1.024) 1.076 27.581 ( -1.713 0.485 2.014) 2.688 27.585 ( -1.245 0.709 0.530) 1.527 27.605 ( -1.974 -0.520 1.561) 2.570 27.620 ( -1.080 -0.839 0.814) 1.592 27.813 ( 1.426 0.159 -1.967) 2.435 27.821 ( 1.581 -0.148 -1.947) 2.512 27.955 ( -2.502 0.269 -0.517) 2.569 27.966 ( -2.176 -0.188 -0.835) 2.338 36.730 ( 4.257 0.163 -2.154) 4.774 36.733 ( 4.145 0.162 -1.891) 4.559 37.148 ( 0.944 -1.000 -1.700) 2.186 37.225 ( 1.078 -4.242 1.595) 4.659 37.315 ( 1.949 4.591 -1.741) 5.283 37.377 ( 3.485 1.264 -2.379) 4.404 37.441 ( 1.924 0.299 -2.347) 3.049 37.565 ( 4.821 -5.234 -1.052) 7.193 37.769 ( 7.684 0.960 -1.602) 7.908 37.810 ( 7.549 0.385 -2.674) 8.018 37.946 ( -2.535 7.896 5.680) 10.051 38.061 ( -2.432 0.017 8.433) 8.776 38.175 ( -0.305 3.557 1.363) 3.821 38.333 ( 2.938 -2.946 1.960) 4.599 38.453 ( 6.897 1.488 5.550) 8.977 38.488 ( 6.174 4.012 -0.990) 7.429 38.555 ( 3.129 0.076 -6.604) 7.308 38.685 ( -0.030 -2.916 8.078) 8.588 39.411 ( -29.004 -1.091 -16.289) 33.283 39.532 ( -22.947 -8.651 -2.808) 24.684 39.636 ( -28.427 0.226 8.838) 29.771 39.751 ( -22.347 -3.975 -1.827) 22.771 39.983 ( -22.761 8.927 -0.969) 24.468 40.173 ( -24.358 -1.635 -2.469) 24.538 ======================= Grid point 119 (63/96) ======================= q-point: ( 0.40 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 3.026 2.642 -10.945) 11.659 1.999 ( 3.179 -4.300 -5.351) 7.565 2.000 ( 11.559 1.889 -3.643) 12.266 2.197 ( 3.813 -7.044 -2.707) 8.455 2.330 ( -1.910 4.386 -7.706) 9.070 2.348 ( -2.581 4.708 -3.635) 6.484 2.496 ( 1.989 -0.732 1.914) 2.856 2.546 ( 1.719 0.468 -0.975) 2.031 2.576 ( 1.408 0.383 -3.714) 3.990 2.697 ( 2.484 1.198 1.097) 2.969 2.896 ( -5.291 9.719 -2.683) 11.386 3.013 ( -0.106 2.028 5.964) 6.300 3.060 ( -5.048 2.675 0.751) 5.762 3.186 ( 0.626 2.186 -5.664) 6.103 3.265 ( -2.155 -8.436 0.215) 8.709 3.314 ( -3.201 -7.410 2.132) 8.349 3.455 ( -4.831 -0.534 2.366) 5.405 3.488 ( 1.989 -1.721 -0.590) 2.696 3.604 ( 2.488 5.567 9.477) 11.269 3.810 ( 7.982 1.303 -0.965) 8.145 3.928 ( 0.178 2.995 0.087) 3.002 3.946 ( 0.249 5.112 4.134) 6.579 4.064 ( 0.523 1.519 -1.483) 2.186 4.090 ( 0.656 2.286 0.967) 2.568 4.342 ( -0.411 -0.459 9.244) 9.264 4.448 ( 0.729 -0.808 -6.734) 6.822 4.666 ( 1.223 -1.128 -2.973) 3.407 4.697 ( -3.509 -0.819 -0.868) 3.706 4.744 ( 5.878 3.408 1.380) 6.933 4.889 ( 6.020 -1.542 2.757) 6.798 5.006 ( 5.005 0.525 3.762) 6.283 5.080 ( -2.607 -1.878 11.599) 12.036 5.166 ( 7.137 0.365 -4.531) 8.462 5.283 ( 1.462 -5.607 1.886) 6.094 5.372 ( 5.214 1.309 -4.247) 6.851 5.396 ( 4.147 3.998 -4.726) 7.451 5.542 ( 4.698 -0.385 0.962) 4.811 5.626 ( 3.755 -1.629 1.017) 4.217 5.695 ( -0.699 -2.531 1.553) 3.050 5.752 ( 6.122 -2.957 2.829) 7.364 5.867 ( 4.284 -0.864 0.357) 4.385 5.964 ( -2.224 1.355 4.620) 5.303 5.990 ( 0.157 -0.152 -1.157) 1.178 6.084 ( -2.304 1.930 4.101) 5.085 6.200 ( -0.966 0.182 -4.586) 4.690 6.285 ( 4.129 -0.604 3.352) 5.353 6.332 ( 0.596 -3.235 -1.349) 3.556 6.355 ( -1.052 5.423 -2.101) 5.910 6.505 ( 1.785 3.817 -3.153) 5.263 6.531 ( -1.709 -1.208 2.447) 3.220 6.677 ( 1.469 -0.328 3.609) 3.911 6.746 ( 0.066 0.570 1.976) 2.057 6.814 ( -0.933 2.148 1.992) 3.075 6.925 ( -0.908 -7.356 1.303) 7.526 7.047 ( 11.225 -2.719 4.633) 12.444 7.134 ( 4.115 3.293 -10.181) 11.464 7.160 ( 9.959 -4.067 6.942) 12.803 7.207 ( 6.840 -3.112 -1.018) 7.583 7.342 ( 5.435 -1.729 -2.745) 6.330 7.438 ( 3.893 2.274 2.408) 5.112 7.487 ( 10.952 -0.229 -3.087) 11.381 7.550 ( 6.675 -2.047 -4.271) 8.185 7.598 ( 1.837 -1.586 6.569) 7.004 7.677 ( 10.424 1.748 -2.866) 10.951 7.730 ( -0.722 0.392 -3.313) 3.413 7.758 ( 0.179 0.847 -5.143) 5.215 7.852 ( 3.164 -5.817 0.099) 6.623 7.900 ( 1.972 -2.490 1.741) 3.622 7.906 ( -0.371 -2.399 3.272) 4.074 7.928 ( -0.681 -0.652 -2.890) 3.040 7.984 ( 1.990 1.087 0.025) 2.268 8.019 ( -0.627 -0.689 3.467) 3.590 8.183 ( 4.448 4.323 -0.392) 6.215 8.230 ( 1.132 2.729 2.536) 3.894 8.315 ( 2.108 -0.021 -0.016) 2.108 8.348 ( 0.678 2.779 -1.262) 3.127 8.442 ( -1.207 0.997 3.880) 4.184 8.489 ( 2.170 -1.880 -0.577) 2.929 8.506 ( -2.173 -1.745 -1.195) 3.032 8.543 ( -2.018 0.759 -0.546) 2.224 8.616 ( 0.072 -2.867 -1.446) 3.212 8.668 ( 3.935 -0.476 2.535) 4.705 8.704 ( 1.562 -4.693 2.700) 5.635 8.759 ( -4.715 1.298 5.070) 7.044 8.868 ( 1.550 6.391 0.139) 6.577 8.951 ( 1.624 0.792 4.122) 4.501 9.014 ( 0.494 4.661 5.035) 6.879 9.066 ( -4.722 0.824 -2.484) 5.398 9.098 ( -1.729 0.189 -2.036) 2.678 9.118 ( 0.820 -0.722 -0.286) 1.129 9.197 ( -5.187 -3.152 0.363) 6.080 9.223 ( 1.757 -0.376 -0.055) 1.798 9.314 ( -4.467 2.962 -0.776) 5.416 9.357 ( -0.846 4.393 -1.806) 4.824 9.405 ( 1.246 0.847 0.090) 1.510 9.515 ( -3.754 1.000 1.299) 4.096 9.697 ( -8.707 -5.246 1.594) 10.289 9.709 ( -7.587 0.309 1.834) 7.812 9.818 ( -1.833 -0.848 0.462) 2.071 9.830 ( -2.153 0.085 0.651) 2.251 9.861 ( 0.057 1.074 6.961) 7.044 9.936 ( -1.537 -1.411 -2.689) 3.403 10.088 ( -7.117 -0.174 -2.054) 7.410 10.140 ( -3.345 -2.709 -7.007) 8.224 10.239 ( -14.907 2.793 -0.386) 15.171 10.286 ( -9.720 1.824 -4.842) 11.011 10.537 ( -2.009 4.360 1.004) 4.904 10.649 ( -3.908 0.700 -7.728) 8.689 10.717 ( -4.243 -2.791 -8.065) 9.531 10.745 ( 0.724 -3.751 7.470) 8.390 11.023 ( -2.046 9.600 -4.829) 10.939 11.361 ( -1.098 1.405 -2.035) 2.705 11.379 ( -3.298 -5.018 0.607) 6.035 11.588 ( -2.852 -7.595 1.303) 8.216 11.908 ( -4.530 5.114 -4.030) 7.932 12.091 ( -9.375 -4.460 -5.512) 11.754 12.662 ( 4.463 1.155 6.400) 7.888 12.711 ( 3.504 -1.045 5.723) 6.791 12.904 ( 2.756 6.004 0.774) 6.652 13.180 ( -1.062 -6.394 -4.727) 8.022 14.023 ( -3.332 3.101 4.012) 6.067 14.056 ( 0.155 3.258 1.424) 3.559 14.209 ( -4.558 -5.676 1.256) 7.387 14.240 ( 2.093 -5.511 -0.504) 5.917 14.612 ( -0.375 6.694 1.088) 6.792 14.717 ( -2.790 0.775 -0.984) 3.058 14.834 ( 1.510 0.407 -5.717) 5.927 14.904 ( 0.164 -2.862 -6.397) 7.010 16.347 ( 1.653 0.516 5.663) 5.922 16.374 ( 0.576 -0.707 5.461) 5.537 16.667 ( 4.939 0.953 -2.930) 5.821 16.708 ( 3.172 -0.597 -3.269) 4.594 16.995 ( 1.754 0.531 -1.572) 2.414 17.057 ( 1.081 -2.114 0.333) 2.398 17.211 ( 1.876 2.384 -3.850) 4.902 17.256 ( 1.368 0.606 -6.120) 6.300 17.462 ( -1.387 -0.210 1.982) 2.428 17.479 ( -1.994 1.056 4.576) 5.102 17.497 ( 0.325 0.277 -0.424) 0.602 17.530 ( -0.018 -0.119 -3.977) 3.979 17.569 ( -0.911 2.367 0.926) 2.700 17.607 ( -3.145 2.310 4.933) 6.289 17.784 ( 0.423 -4.634 -0.605) 4.692 17.800 ( -0.180 -5.592 1.594) 5.817 17.866 ( 0.317 -0.495 4.658) 4.695 17.867 ( -0.552 -0.330 7.180) 7.209 17.949 ( 1.507 4.015 -3.412) 5.480 18.041 ( 0.458 3.407 -2.415) 4.201 18.170 ( -2.346 0.714 0.283) 2.469 18.254 ( -0.971 0.125 -4.235) 4.347 18.293 ( -1.441 -0.766 -3.221) 3.611 18.350 ( -1.271 -3.574 -4.119) 5.600 18.586 ( -1.723 4.058 4.746) 6.477 18.734 ( -0.564 -2.269 0.877) 2.497 18.801 ( -1.961 0.407 1.628) 2.581 18.834 ( -1.005 -0.737 -0.419) 1.314 21.065 ( 18.996 -0.058 -0.929) 19.019 21.101 ( 18.761 0.319 -1.496) 18.823 21.117 ( 18.871 -0.944 -0.755) 18.910 21.188 ( 17.981 -1.710 -7.225) 19.454 21.290 ( 17.726 6.038 5.461) 19.506 21.491 ( 10.323 -3.633 9.114) 14.242 21.650 ( -13.711 0.867 -0.900) 13.768 21.679 ( -13.379 1.010 -1.496) 13.500 21.724 ( -6.971 -1.184 1.831) 7.304 21.794 ( -11.146 -3.660 0.596) 11.747 21.986 ( -7.975 5.330 1.618) 9.727 22.164 ( -2.760 -3.452 2.730) 5.195 27.044 ( -0.754 -0.071 1.310) 1.513 27.051 ( -0.535 -0.437 1.108) 1.306 27.103 ( 1.087 0.370 -1.181) 1.647 27.110 ( 0.358 0.018 -1.347) 1.394 27.569 ( -1.221 0.216 1.907) 2.274 27.575 ( -0.726 0.359 0.911) 1.219 27.587 ( -1.219 -0.006 1.427) 1.877 27.612 ( -0.580 -0.767 0.841) 1.278 27.829 ( 1.703 0.006 -1.239) 2.106 27.835 ( 1.719 -0.136 -1.752) 2.458 27.910 ( -1.967 0.366 -0.946) 2.213 27.923 ( -1.760 -0.173 -1.248) 2.165 36.793 ( 4.966 0.230 -2.097) 5.395 36.799 ( 3.935 -0.040 0.135) 3.938 37.139 ( -0.394 -0.217 -2.076) 2.124 37.223 ( -2.335 -3.068 -0.329) 3.869 37.314 ( -1.381 3.995 -1.982) 4.669 37.375 ( -1.887 1.422 -6.920) 7.312 37.413 ( 1.798 -0.998 -3.841) 4.357 37.545 ( -1.538 -6.146 -8.922) 10.942 37.920 ( 1.679 3.065 7.318) 8.109 37.930 ( 2.041 9.309 0.671) 9.554 37.984 ( 8.797 1.666 2.054) 9.186 38.122 ( -0.240 0.777 10.162) 10.194 38.235 ( 6.700 -0.090 4.194) 7.905 38.407 ( 4.648 -2.309 0.688) 5.235 38.521 ( -0.014 5.585 3.725) 6.713 38.642 ( 10.328 -0.773 1.821) 10.516 38.672 ( 0.031 -5.518 -1.848) 5.819 38.751 ( 8.335 -2.696 1.708) 8.925 38.935 ( -6.074 4.428 -9.139) 11.833 39.166 ( -14.465 -8.606 -4.628) 17.456 39.226 ( -25.640 -0.148 8.775) 27.100 39.346 ( -19.619 -4.321 -4.308) 20.546 39.591 ( -19.854 7.357 -3.337) 21.435 39.740 ( -20.607 -0.879 -5.689) 21.396 ======================= Grid point 120 (64/96) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 1.897 3.668 -4.446) 6.068 1.962 ( -6.653 3.628 -7.691) 10.797 2.066 ( -6.907 -6.727 -6.280) 11.507 2.119 ( -4.402 -4.110 -3.661) 7.048 2.197 ( 4.698 0.942 1.985) 5.186 2.371 ( 3.803 1.360 -3.821) 5.560 2.469 ( -1.449 2.253 -6.264) 6.812 2.508 ( -6.396 4.530 -7.773) 11.038 2.617 ( 5.715 -2.706 1.274) 6.450 2.755 ( 2.209 -2.006 -1.861) 3.517 2.836 ( -2.231 1.578 6.372) 6.934 2.973 ( -5.179 -3.204 4.492) 7.567 3.019 ( -3.445 4.160 2.898) 6.130 3.144 ( -3.887 -1.051 3.299) 5.206 3.173 ( -1.986 1.137 -4.508) 5.055 3.344 ( 6.630 -5.148 -3.941) 9.273 3.499 ( -0.064 3.911 6.959) 7.983 3.534 ( 3.905 3.240 2.872) 5.830 3.734 ( 2.773 4.522 7.175) 8.923 3.877 ( -2.602 2.217 0.909) 3.537 3.910 ( -2.329 2.501 0.617) 3.473 3.960 ( 2.877 -2.359 -0.695) 3.784 4.121 ( 3.587 3.974 -2.992) 6.133 4.182 ( 8.869 1.635 -1.179) 9.095 4.380 ( -1.559 -1.864 4.206) 4.858 4.397 ( 1.483 -0.101 -1.549) 2.147 4.536 ( -6.911 0.373 -5.492) 8.836 4.642 ( -4.814 -4.669 -1.544) 6.882 4.874 ( 4.947 5.980 4.185) 8.817 4.976 ( -1.731 0.563 5.757) 6.038 5.090 ( -1.693 1.897 4.663) 5.311 5.106 ( 2.487 -0.239 3.446) 4.256 5.218 ( 1.537 -0.612 -3.569) 3.933 5.315 ( -0.040 -7.454 -0.133) 7.456 5.359 ( 0.035 4.852 -7.562) 8.985 5.416 ( 1.679 -3.047 -2.190) 4.111 5.608 ( -0.885 3.380 3.181) 4.725 5.668 ( 1.215 4.243 -0.237) 4.420 5.694 ( -1.434 1.368 2.930) 3.537 5.842 ( 3.377 -2.051 -1.580) 4.256 5.920 ( -5.121 0.324 1.642) 5.388 5.965 ( -1.002 -4.100 3.718) 5.625 6.013 ( 2.740 -6.002 5.167) 8.380 6.045 ( -4.942 1.942 -1.752) 5.591 6.074 ( -1.703 -4.054 2.420) 5.019 6.238 ( -5.418 1.418 -2.186) 6.012 6.379 ( 1.606 3.606 4.003) 5.622 6.404 ( 3.372 4.755 2.195) 6.229 6.499 ( -5.480 -1.572 4.646) 7.354 6.608 ( 8.807 1.281 -1.109) 8.969 6.641 ( -3.088 -2.313 -0.053) 3.859 6.777 ( -0.366 -3.145 -0.415) 3.194 6.870 ( 4.079 0.430 0.837) 4.186 6.914 ( -0.364 2.390 1.909) 3.080 7.098 ( -0.317 2.424 -2.886) 3.782 7.180 ( -0.827 -3.160 0.578) 3.317 7.267 ( 0.064 -6.017 0.426) 6.032 7.323 ( 2.916 -7.235 1.407) 7.926 7.349 ( -6.234 4.568 -2.105) 8.010 7.453 ( 2.807 -0.092 -4.009) 4.895 7.489 ( -4.460 -7.787 -1.490) 9.097 7.523 ( -5.314 -3.436 -0.464) 6.345 7.619 ( -2.843 -1.065 0.183) 3.042 7.699 ( 0.610 0.899 -4.219) 4.356 7.726 ( -4.496 3.548 6.005) 8.298 7.771 ( -4.007 -0.700 1.443) 4.316 7.821 ( -4.625 -4.129 -0.449) 6.216 7.875 ( -3.213 -0.864 0.022) 3.327 7.995 ( 7.031 -1.636 -1.826) 7.446 8.001 ( 9.791 0.403 -3.525) 10.414 8.041 ( 6.432 3.000 -1.335) 7.222 8.133 ( 7.391 -1.201 -2.779) 7.986 8.208 ( -1.357 1.168 0.412) 1.837 8.262 ( -1.221 2.309 0.507) 2.660 8.314 ( -2.740 0.203 -0.995) 2.922 8.358 ( 2.241 -1.037 3.418) 4.217 8.410 ( 1.068 0.450 1.017) 1.542 8.477 ( -0.317 1.651 2.652) 3.140 8.499 ( 2.286 0.807 -3.623) 4.359 8.601 ( 3.024 2.774 1.018) 4.228 8.651 ( 1.784 -1.080 6.229) 6.569 8.694 ( -1.681 3.351 2.068) 4.282 8.717 ( -1.220 -1.879 0.829) 2.389 8.771 ( -0.617 0.456 1.173) 1.402 8.839 ( -6.260 2.336 -3.411) 7.502 8.910 ( -6.462 -0.550 0.594) 6.512 8.952 ( 3.101 3.042 2.507) 5.016 9.070 ( 2.125 -0.679 -2.090) 3.057 9.095 ( -1.362 -1.140 1.796) 2.526 9.175 ( 0.364 -1.431 1.795) 2.324 9.198 ( 0.565 0.158 1.852) 1.943 9.218 ( 3.119 -1.815 -0.495) 3.642 9.271 ( -0.183 6.850 2.478) 7.287 9.329 ( 1.968 5.740 -2.634) 6.615 9.475 ( 0.756 -4.250 2.339) 4.910 9.517 ( 3.927 -1.264 0.342) 4.139 9.601 ( -4.001 -2.339 2.484) 5.258 9.651 ( 2.996 -1.694 2.517) 4.264 9.724 ( 0.223 2.967 -1.651) 3.403 9.824 ( -4.078 -0.167 -4.896) 6.375 9.937 ( -2.671 2.714 7.553) 8.458 9.978 ( -5.984 -0.442 0.016) 6.001 10.007 ( 1.836 1.390 5.636) 6.088 10.050 ( 2.954 2.170 -2.156) 4.253 10.111 ( -1.035 -2.185 -5.453) 5.965 10.130 ( 7.273 -1.219 -5.832) 9.402 10.482 ( 1.169 -0.877 -6.228) 6.398 10.597 ( 0.559 -2.799 -12.333) 12.659 10.639 ( -0.577 2.539 3.277) 4.185 10.810 ( 1.031 -4.029 4.876) 6.409 10.979 ( 0.999 8.111 -4.340) 9.253 11.266 ( -0.216 -4.583 -10.587) 11.539 11.441 ( 2.020 1.770 8.831) 9.230 11.600 ( 1.833 -5.957 3.815) 7.307 11.802 ( -2.568 4.032 -4.780) 6.760 11.889 ( -6.987 -1.245 -7.055) 10.007 12.778 ( -0.623 1.440 6.668) 6.850 12.792 ( 3.076 0.833 7.963) 8.577 12.965 ( 2.874 2.048 -0.632) 3.585 13.129 ( -0.136 -4.959 -6.285) 8.007 13.995 ( -2.614 1.096 3.614) 4.593 14.078 ( 0.629 4.821 3.168) 5.803 14.127 ( -4.971 -4.471 0.111) 6.687 14.296 ( 4.512 -6.061 -1.559) 7.715 14.615 ( -0.837 4.219 1.996) 4.742 14.676 ( -1.030 1.196 -0.242) 1.597 14.810 ( 1.312 0.202 -6.237) 6.377 14.876 ( 2.131 -1.925 -7.442) 7.977 16.407 ( -0.413 0.568 7.237) 7.271 16.428 ( 0.175 -0.388 7.172) 7.185 16.705 ( 2.156 0.397 -4.074) 4.626 16.725 ( 2.142 -0.307 -4.774) 5.241 17.010 ( 0.900 0.939 -0.957) 1.614 17.071 ( 0.536 -1.673 -0.217) 1.770 17.197 ( 1.469 1.499 -6.504) 6.834 17.242 ( 2.188 -0.399 -8.067) 8.368 17.424 ( -2.756 1.217 0.761) 3.108 17.474 ( -2.621 -0.281 4.060) 4.840 17.514 ( 1.914 -0.269 -1.152) 2.250 17.530 ( 1.120 -0.269 0.882) 1.451 17.557 ( -1.522 1.100 1.698) 2.532 17.605 ( -1.822 2.123 5.613) 6.271 17.762 ( -0.162 -3.090 -1.985) 3.676 17.835 ( 1.267 -4.018 0.973) 4.324 17.896 ( -0.533 0.770 4.060) 4.166 17.929 ( 1.407 -0.171 6.108) 6.271 17.972 ( 1.942 2.490 1.673) 3.574 18.038 ( 0.409 3.506 0.057) 3.530 18.121 ( -3.068 -0.302 -0.429) 3.113 18.191 ( -2.088 -0.166 -5.253) 5.655 18.263 ( 0.996 -0.809 -3.923) 4.128 18.297 ( -0.458 -2.030 -5.649) 6.021 18.593 ( -1.657 3.328 4.911) 6.160 18.726 ( -1.452 -2.564 1.739) 3.422 18.782 ( -1.179 0.971 0.372) 1.572 18.821 ( -0.390 -0.794 0.290) 0.931 21.330 ( -2.502 0.501 0.113) 2.554 21.350 ( -6.985 0.184 -0.804) 7.033 21.359 ( -1.127 -0.277 -0.745) 1.379 21.374 ( -9.348 0.219 -0.515) 9.365 21.377 ( 1.104 -0.022 -0.232) 1.129 21.433 ( 12.100 -2.650 0.558) 12.399 21.481 ( 7.040 0.707 -4.823) 8.563 21.515 ( 1.600 -0.099 -2.459) 2.936 21.710 ( 6.961 2.900 4.816) 8.948 21.823 ( -4.764 4.802 1.019) 6.840 21.901 ( 5.840 -1.510 8.579) 10.487 22.126 ( -3.212 -6.050 0.712) 6.887 27.039 ( -0.807 0.094 1.419) 1.635 27.050 ( -0.630 -0.395 1.227) 1.435 27.106 ( 0.427 0.181 -1.451) 1.523 27.112 ( 0.939 -0.086 -1.285) 1.594 27.565 ( -1.220 0.096 2.266) 2.575 27.572 ( -0.360 -0.187 1.277) 1.340 27.586 ( -0.011 0.492 0.892) 1.019 27.612 ( -0.088 -0.642 0.601) 0.884 27.847 ( 1.035 -0.111 -0.950) 1.409 27.859 ( 1.818 -0.508 -1.146) 2.208 27.874 ( -0.810 0.585 -1.204) 1.565 27.889 ( -0.566 -0.010 -1.620) 1.716 36.870 ( 3.617 0.025 1.589) 3.951 36.878 ( 4.833 -0.133 1.645) 5.108 37.088 ( -4.152 -0.443 -3.350) 5.353 37.136 ( -4.594 -1.290 -5.935) 7.615 37.239 ( -2.000 3.909 -3.512) 5.623 37.299 ( -3.870 -0.044 -4.118) 5.651 37.398 ( -1.453 -2.023 -2.171) 3.305 37.424 ( -3.706 -2.488 -5.681) 7.225 37.863 ( -5.508 8.880 3.864) 11.141 38.022 ( 2.050 5.537 2.371) 6.363 38.151 ( -4.908 0.101 5.809) 7.606 38.205 ( 3.682 0.532 5.554) 6.685 38.248 ( 0.378 3.834 1.944) 4.316 38.489 ( 3.041 1.870 0.012) 3.570 38.583 ( -0.207 1.652 8.957) 9.110 38.650 ( 1.561 -11.485 -1.004) 11.634 38.781 ( -13.588 -4.366 8.010) 16.366 38.831 ( 2.143 -7.220 -5.480) 9.315 38.968 ( 7.352 2.105 -2.712) 8.114 38.998 ( -1.363 -3.133 -3.785) 5.098 39.055 ( 7.633 2.757 6.418) 10.347 39.151 ( 7.388 -2.028 -3.566) 8.451 39.289 ( -5.926 7.181 -6.068) 11.113 39.429 ( -5.222 -1.042 -8.633) 10.143 ======================= Grid point 121 (65/96) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -14.310 6.494 -3.388) 16.076 1.780 ( -12.480 -0.992 2.775) 12.824 1.945 ( -7.471 -5.558 0.574) 9.329 2.033 ( -1.351 -2.715 -4.189) 5.171 2.260 ( 0.397 0.574 2.454) 2.552 2.304 ( -3.707 6.016 -2.262) 7.419 2.423 ( 0.666 4.787 -2.164) 5.295 2.468 ( 3.948 -2.747 -3.261) 5.811 2.696 ( 1.800 -2.740 -3.950) 5.133 2.748 ( 1.445 -2.726 -3.602) 4.742 2.900 ( 1.993 -0.024 8.465) 8.696 2.926 ( -6.780 2.800 1.188) 7.431 2.955 ( 0.007 -0.345 5.449) 5.460 3.089 ( -0.888 -1.784 1.069) 2.262 3.235 ( 5.056 1.339 -2.501) 5.797 3.409 ( 1.160 -3.515 -1.842) 4.135 3.466 ( -3.943 6.386 2.700) 7.976 3.643 ( -0.904 1.484 5.059) 5.349 3.763 ( -2.455 3.520 1.060) 4.420 3.813 ( -1.973 3.471 0.091) 3.994 3.870 ( -1.511 1.772 -3.409) 4.128 3.961 ( -0.207 1.914 -1.419) 2.392 4.160 ( -0.564 0.062 3.058) 3.111 4.256 ( 4.240 -2.581 -7.210) 8.753 4.352 ( 1.238 -1.672 -9.428) 9.655 4.472 ( 5.037 3.077 3.154) 6.693 4.484 ( -2.195 -4.890 6.404) 8.351 4.562 ( -0.387 -1.599 1.549) 2.260 4.918 ( -5.273 3.661 0.622) 6.449 4.942 ( -3.228 2.582 5.173) 6.622 5.056 ( -4.652 5.608 -4.830) 8.742 5.119 ( -7.412 -0.440 -2.885) 7.965 5.133 ( -2.416 0.945 4.325) 5.044 5.269 ( -4.566 -8.169 -2.557) 9.702 5.338 ( 0.946 2.497 0.155) 2.675 5.438 ( -1.000 -2.636 2.006) 3.461 5.571 ( -3.201 0.246 1.110) 3.397 5.613 ( -4.391 4.485 -4.320) 7.619 5.666 ( -3.956 1.093 2.852) 4.998 5.759 ( -6.810 -6.353 -5.756) 10.948 5.932 ( -0.728 1.122 7.600) 7.717 5.941 ( -4.464 3.876 1.844) 6.193 5.961 ( -3.206 -1.949 1.064) 3.900 6.064 ( 1.862 -2.115 6.426) 7.017 6.132 ( -1.777 -2.890 -1.982) 3.929 6.205 ( 2.811 -3.202 7.003) 8.197 6.373 ( -1.839 5.446 -4.483) 7.290 6.431 ( -2.657 3.483 3.628) 5.688 6.490 ( 0.906 5.608 2.564) 6.233 6.587 ( -3.790 -5.709 3.882) 7.876 6.715 ( -4.123 0.483 -2.100) 4.652 6.754 ( 4.834 1.224 -0.172) 4.989 6.858 ( -4.557 6.066 3.392) 8.310 6.945 ( 2.032 1.695 -6.892) 7.383 7.039 ( -7.323 -2.495 -1.670) 7.914 7.108 ( -4.485 -3.549 4.921) 7.545 7.181 ( -10.649 0.896 -1.149) 10.748 7.264 ( -4.300 -3.340 -0.935) 5.524 7.284 ( -5.900 -4.842 2.193) 7.941 7.318 ( -7.763 -4.891 -0.195) 9.178 7.409 ( -3.198 -6.736 1.126) 7.541 7.501 ( 1.116 -2.673 -5.247) 5.994 7.567 ( -5.719 -2.932 -1.682) 6.643 7.607 ( -8.578 -2.507 0.177) 8.939 7.672 ( -6.255 -0.982 0.193) 6.335 7.680 ( -6.430 -3.225 2.111) 7.497 7.732 ( 0.384 0.124 7.358) 7.369 7.846 ( -2.914 -5.346 -1.006) 6.171 7.994 ( -2.865 2.304 1.737) 4.066 8.054 ( -5.147 2.861 -2.406) 6.362 8.112 ( 0.043 1.480 -3.929) 4.198 8.169 ( 0.999 0.793 0.152) 1.284 8.206 ( -4.715 2.883 1.442) 5.711 8.240 ( 2.725 1.528 -1.205) 3.348 8.301 ( 0.834 0.869 1.631) 2.027 8.376 ( -0.821 1.172 -2.669) 3.029 8.418 ( 5.252 1.039 -1.677) 5.611 8.536 ( -1.387 0.350 2.516) 2.894 8.571 ( 2.142 -3.711 -8.216) 9.266 8.599 ( -4.695 -1.176 2.264) 5.343 8.638 ( -2.502 0.136 2.942) 3.865 8.674 ( 0.134 2.432 -3.327) 4.123 8.702 ( 1.366 2.289 0.982) 2.841 8.762 ( 4.691 2.813 1.610) 5.702 8.819 ( 2.214 1.476 3.658) 4.523 8.915 ( 5.545 -0.890 0.673) 5.656 8.993 ( 0.503 2.432 -0.589) 2.552 9.027 ( -1.617 -0.993 -3.735) 4.189 9.143 ( -0.401 -0.134 2.493) 2.529 9.208 ( 3.174 4.729 1.281) 5.838 9.220 ( 4.107 0.682 1.949) 4.597 9.299 ( 1.759 2.754 3.805) 5.016 9.330 ( 4.438 0.220 -1.940) 4.849 9.374 ( 4.048 2.358 -2.751) 5.433 9.494 ( 2.444 -2.924 3.744) 5.342 9.556 ( 2.409 -3.573 0.676) 4.362 9.681 ( 2.544 1.281 -3.472) 4.491 9.716 ( 0.987 -0.311 1.159) 1.554 9.749 ( 2.185 -0.879 3.308) 4.061 9.763 ( 6.060 1.029 -2.963) 6.824 9.898 ( 0.264 2.864 1.067) 3.068 9.946 ( 6.167 -1.063 -0.752) 6.303 10.042 ( 1.490 -0.208 0.005) 1.505 10.131 ( 2.110 -1.584 0.955) 2.806 10.213 ( 9.891 3.512 1.007) 10.545 10.332 ( 17.109 -0.600 -2.173) 17.257 10.467 ( 0.397 -0.078 -9.971) 9.979 10.588 ( 10.224 -4.307 -9.028) 14.303 10.680 ( 2.409 2.366 6.307) 7.154 10.864 ( 3.504 -0.429 -0.121) 3.532 10.977 ( -0.191 2.520 1.432) 2.904 11.202 ( 2.533 -3.282 -11.113) 11.861 11.567 ( 4.206 1.481 8.314) 9.434 11.627 ( -0.295 -1.215 -3.438) 3.658 11.767 ( -1.705 1.120 -4.024) 4.511 11.856 ( 9.785 -2.481 4.748) 11.155 12.770 ( -4.289 2.004 3.917) 6.145 12.885 ( -0.243 -2.438 6.996) 7.412 12.952 ( -2.785 3.032 -3.303) 5.278 13.087 ( 1.426 -3.490 -8.012) 8.854 14.001 ( -0.786 -0.814 4.877) 5.007 14.050 ( -2.495 -2.260 -0.604) 3.420 14.132 ( 2.826 5.707 3.292) 7.169 14.365 ( 4.857 -5.757 -2.030) 7.801 14.618 ( -0.639 2.139 3.027) 3.761 14.675 ( -0.068 0.416 1.979) 2.024 14.799 ( 2.411 1.218 -5.569) 6.190 14.860 ( 2.991 -1.131 -8.802) 9.365 16.444 ( -1.940 0.848 8.488) 8.748 16.476 ( -1.120 -0.611 7.455) 7.563 16.687 ( 0.391 0.321 -6.131) 6.152 16.705 ( 0.693 -0.356 -7.500) 7.541 17.008 ( -0.254 1.410 -0.958) 1.724 17.075 ( 0.108 -1.344 -0.213) 1.365 17.177 ( 1.565 0.571 -5.890) 6.121 17.202 ( 1.453 -0.618 -11.173) 11.284 17.395 ( -1.832 1.002 2.386) 3.170 17.456 ( -1.629 -1.590 0.806) 2.415 17.522 ( -2.068 0.464 4.666) 5.124 17.549 ( -0.191 -0.216 1.210) 1.244 17.580 ( 2.247 0.478 2.196) 3.178 17.622 ( -0.330 0.320 4.435) 4.459 17.752 ( 0.526 1.071 -1.983) 2.314 17.859 ( 1.842 -2.480 -1.444) 3.410 17.899 ( -1.122 1.978 0.648) 2.365 17.995 ( 0.707 0.083 6.074) 6.116 18.036 ( 1.383 0.364 7.161) 7.302 18.062 ( 1.158 1.961 1.922) 2.980 18.066 ( -1.452 -0.585 -2.804) 3.211 18.116 ( -1.938 -0.315 -3.984) 4.441 18.238 ( 0.087 -0.051 -5.778) 5.779 18.279 ( 2.342 -1.416 -3.279) 4.271 18.601 ( -1.675 2.479 5.090) 5.904 18.714 ( -1.430 -2.445 2.186) 3.578 18.764 ( -0.948 1.269 0.094) 1.586 18.824 ( 0.072 -1.226 1.149) 1.682 21.036 ( -19.228 0.515 0.035) 19.234 21.048 ( -19.361 1.137 0.087) 19.395 21.061 ( -18.846 -0.419 -0.230) 18.852 21.151 ( -18.617 -4.811 -0.136) 19.229 21.421 ( -10.943 9.310 -0.055) 14.368 21.646 ( 10.056 -2.234 -1.432) 10.400 21.669 ( 13.129 0.603 -2.341) 13.350 21.686 ( 12.996 -0.237 -2.445) 13.226 21.807 ( 7.112 0.321 -0.089) 7.120 21.904 ( 7.670 3.255 2.742) 8.772 22.057 ( -1.152 -6.964 -1.705) 7.261 22.082 ( 4.286 -3.435 4.272) 6.958 27.037 ( -0.844 0.129 1.593) 1.807 27.046 ( -0.788 -0.307 1.111) 1.396 27.104 ( 0.519 0.220 -1.265) 1.385 27.116 ( 0.543 -0.318 -1.361) 1.499 27.561 ( -1.060 0.342 2.383) 2.631 27.581 ( 0.240 -0.504 1.444) 1.548 27.597 ( 0.575 0.291 0.559) 0.853 27.617 ( 0.230 -0.505 0.308) 0.635 27.837 ( -0.933 0.149 -1.667) 1.916 27.845 ( -0.360 -0.238 -1.536) 1.596 27.895 ( 2.245 0.045 -0.663) 2.342 27.899 ( 2.340 -0.122 -0.763) 2.465 36.923 ( -3.598 -0.023 -1.555) 3.920 36.956 ( -2.538 -0.312 -0.399) 2.588 36.987 ( 1.153 -0.533 -0.810) 1.507 37.018 ( 1.114 -0.104 -0.481) 1.218 37.188 ( -4.320 1.669 -2.428) 5.229 37.221 ( 0.042 1.562 1.084) 1.901 37.334 ( -4.263 -1.236 0.575) 4.476 37.350 ( -4.202 -2.835 0.570) 5.101 37.805 ( -5.189 5.491 5.506) 9.348 37.952 ( -12.846 0.601 3.347) 13.289 38.094 ( 2.134 13.066 -2.446) 13.463 38.158 ( -5.934 7.471 7.845) 12.351 38.373 ( -14.568 -4.540 0.080) 15.259 38.478 ( -7.049 3.479 4.869) 9.247 38.496 ( -2.765 1.130 -5.238) 6.030 38.546 ( 9.765 -4.831 1.694) 11.026 38.707 ( -5.294 -4.577 5.552) 8.933 38.818 ( -10.765 4.000 -1.808) 11.625 38.968 ( 5.497 -11.381 -0.674) 12.657 39.075 ( 14.419 -8.765 -7.502) 18.467 39.304 ( 19.216 2.066 -1.789) 19.409 39.407 ( 15.753 6.789 2.497) 17.334 39.491 ( 27.237 -3.095 -1.722) 27.467 39.570 ( 22.204 0.957 -2.826) 22.404 ======================= Grid point 122 (66/96) ======================= q-point: (-0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -14.696 8.358 6.220) 18.014 1.484 ( -20.195 -1.587 6.112) 21.159 1.811 ( -10.673 -10.822 3.658) 15.633 1.915 ( -7.834 -4.414 -2.276) 9.276 2.287 ( -4.893 2.537 5.413) 7.725 2.365 ( 8.125 5.887 2.546) 10.351 2.434 ( 3.173 6.469 1.474) 7.355 2.473 ( -3.022 -0.346 0.133) 3.045 2.649 ( 0.832 0.852 -7.177) 7.275 2.745 ( 0.865 2.064 -5.016) 5.493 2.819 ( -7.286 3.343 2.561) 8.416 2.968 ( -6.571 4.514 5.405) 9.632 3.028 ( 3.501 5.521 2.403) 6.965 3.117 ( 4.457 -4.894 -1.458) 6.778 3.180 ( -6.438 5.231 -0.294) 8.301 3.367 ( 1.590 -4.851 -0.332) 5.115 3.534 ( 6.820 -8.393 0.447) 10.824 3.588 ( -5.562 0.862 2.979) 6.368 3.666 ( -4.349 -2.541 -1.002) 5.136 3.773 ( -1.864 -3.046 -1.430) 3.847 3.923 ( 2.290 7.887 -0.819) 8.254 3.962 ( 4.346 7.932 -0.319) 9.050 4.155 ( -1.612 -2.715 4.759) 5.711 4.259 ( -0.505 -3.693 -4.079) 5.526 4.329 ( 1.533 -6.016 -6.322) 8.861 4.450 ( -0.539 -2.178 -0.589) 2.320 4.586 ( 3.198 2.832 3.097) 5.276 4.617 ( 0.347 1.798 3.756) 4.178 4.782 ( -7.488 6.156 -5.938) 11.368 4.833 ( -9.658 1.994 -7.865) 12.614 4.881 ( -9.321 3.281 0.521) 9.895 5.003 ( -5.068 1.400 -0.143) 5.260 5.074 ( -8.002 1.006 4.678) 9.323 5.134 ( -7.464 -8.023 -0.720) 10.982 5.332 ( -6.465 -3.357 5.884) 9.365 5.404 ( -5.390 -1.186 7.438) 9.261 5.498 ( -6.091 -1.810 -1.057) 6.441 5.549 ( -2.819 -1.298 -3.745) 4.864 5.597 ( -1.524 2.128 -3.916) 4.710 5.651 ( -1.470 -3.656 1.857) 4.356 5.804 ( -5.537 1.480 -4.762) 7.451 5.873 ( -6.668 -0.899 2.328) 7.120 6.001 ( -1.400 2.283 6.016) 6.585 6.084 ( -4.636 -0.976 2.430) 5.324 6.115 ( -1.713 7.074 -0.086) 7.279 6.252 ( -1.706 -0.900 2.980) 3.550 6.336 ( 1.381 -2.389 -1.999) 3.408 6.384 ( -4.286 3.243 -6.765) 8.640 6.480 ( -4.611 5.031 9.977) 12.088 6.540 ( -3.038 3.173 -1.196) 4.553 6.660 ( -4.390 -1.594 5.179) 6.974 6.693 ( -9.933 0.758 5.215) 11.245 6.778 ( -6.378 7.633 -4.482) 10.910 6.870 ( -5.439 -0.980 -4.700) 7.255 6.882 ( -15.232 -1.404 1.110) 15.337 7.008 ( -0.748 4.442 0.793) 4.574 7.069 ( -2.905 -6.085 3.368) 7.537 7.147 ( -4.375 -8.780 -2.041) 10.020 7.159 ( -3.821 -9.675 -8.610) 13.503 7.262 ( -6.692 -2.198 -1.268) 7.157 7.340 ( -3.228 -5.595 1.073) 6.547 7.436 ( -7.766 1.391 3.103) 8.478 7.487 ( -4.336 -5.380 2.530) 7.358 7.519 ( 1.551 0.540 0.227) 1.658 7.540 ( -3.888 0.402 -1.994) 4.388 7.659 ( -0.781 -4.451 0.522) 4.549 7.777 ( -2.944 -6.080 4.265) 7.989 7.840 ( -2.995 -1.825 6.814) 7.663 7.896 ( -5.658 0.907 0.381) 5.743 7.928 ( -6.428 1.607 2.032) 6.930 8.000 ( -8.579 0.367 3.083) 9.124 8.114 ( -3.316 6.194 -3.082) 7.672 8.166 ( -2.569 -3.738 -3.088) 5.487 8.266 ( 0.638 5.424 3.634) 6.560 8.321 ( -1.387 -1.815 -1.382) 2.670 8.351 ( 0.323 2.158 -1.648) 2.734 8.423 ( -4.382 3.516 -2.846) 6.297 8.465 ( -2.489 -4.064 -1.417) 4.972 8.531 ( -0.382 -3.482 -5.117) 6.201 8.594 ( 6.250 -2.282 -1.428) 6.805 8.634 ( 0.028 1.741 -2.071) 2.706 8.693 ( -1.203 -2.138 -1.622) 2.941 8.717 ( 3.714 5.817 -0.760) 6.943 8.819 ( -0.702 6.151 2.701) 6.754 8.940 ( 4.037 0.599 -0.995) 4.200 8.993 ( 2.555 -0.172 1.287) 2.866 9.001 ( 3.374 1.520 -0.373) 3.719 9.062 ( 2.653 -3.189 2.057) 4.630 9.146 ( 1.938 0.251 -0.441) 2.003 9.253 ( 3.906 4.148 -3.731) 6.810 9.299 ( 3.649 1.312 -1.874) 4.307 9.321 ( 1.195 7.689 1.724) 7.970 9.359 ( 1.444 -3.536 -5.666) 6.833 9.433 ( 4.108 -0.454 -1.120) 4.282 9.566 ( 1.985 0.852 -1.083) 2.416 9.632 ( 3.980 3.742 0.155) 5.465 9.708 ( 6.715 -5.766 4.774) 10.056 9.753 ( 3.510 -1.659 0.100) 3.884 9.865 ( 4.307 1.002 0.193) 4.426 9.890 ( 3.744 1.525 -1.012) 4.168 9.975 ( 9.259 -2.044 -1.592) 9.615 9.994 ( 0.106 -0.322 1.191) 1.238 10.132 ( 9.779 3.659 4.119) 11.224 10.293 ( 10.074 -0.880 -6.650) 12.103 10.346 ( 7.167 2.431 1.673) 7.751 10.417 ( 4.439 1.495 2.347) 5.239 10.624 ( 14.875 -1.499 -1.918) 15.073 10.744 ( 11.471 -2.664 -4.373) 12.562 10.814 ( 7.884 2.373 3.705) 9.029 10.942 ( 7.402 6.940 -1.699) 10.288 11.026 ( 4.592 -7.240 2.461) 8.920 11.210 ( 5.547 -1.895 -4.052) 7.126 11.581 ( -0.434 0.392 -4.875) 4.910 11.664 ( 2.478 -3.166 0.191) 4.025 11.802 ( 4.754 6.785 5.641) 10.022 12.114 ( 12.345 -7.532 6.074) 15.685 12.683 ( -6.849 0.315 -1.033) 6.934 12.832 ( -5.007 0.690 -3.276) 6.023 12.876 ( -5.286 -1.634 -1.256) 5.673 13.057 ( -0.949 -1.223 -1.216) 1.968 13.985 ( -1.480 1.987 1.372) 2.832 14.098 ( 5.682 -0.960 0.984) 5.846 14.225 ( 5.126 5.096 2.740) 7.730 14.438 ( 5.322 -4.831 -2.144) 7.500 14.641 ( 0.219 1.902 3.938) 4.378 14.698 ( 0.152 -1.070 3.786) 3.938 14.804 ( 2.686 2.017 -5.537) 6.477 14.859 ( 4.138 -0.814 -7.484) 8.591 16.460 ( -3.171 0.733 7.004) 7.723 16.497 ( -2.366 -0.953 6.951) 7.404 16.634 ( 0.003 0.318 -9.274) 9.280 16.644 ( -0.210 -0.192 -9.060) 9.064 16.991 ( -0.831 1.962 -0.482) 2.185 17.071 ( -0.244 -1.509 -0.632) 1.655 17.133 ( 0.609 0.517 -10.991) 11.020 17.169 ( 1.600 -0.444 -3.880) 4.221 17.395 ( -0.778 -1.052 3.526) 3.761 17.424 ( -1.667 -2.821 -1.534) 3.618 17.525 ( -2.862 1.975 7.793) 8.533 17.565 ( -0.124 -0.269 3.743) 3.754 17.623 ( 1.330 2.000 -0.716) 2.506 17.657 ( 1.028 -0.086 3.538) 3.685 17.754 ( 1.178 2.210 -0.600) 2.575 17.858 ( -1.584 -3.477 -1.157) 3.992 17.890 ( 2.639 4.227 -4.404) 6.650 18.012 ( -1.704 1.908 -1.920) 3.198 18.044 ( -0.092 -0.771 1.954) 2.102 18.068 ( 0.583 -0.920 0.086) 1.092 18.099 ( 0.478 0.511 1.800) 1.931 18.135 ( 2.242 -1.830 7.052) 7.623 18.215 ( 1.630 2.548 -2.682) 4.042 18.306 ( 2.455 -2.251 -1.176) 3.533 18.609 ( -1.722 1.854 5.030) 5.630 18.712 ( -0.293 -1.857 1.665) 2.512 18.754 ( -0.798 1.087 1.647) 2.129 18.841 ( 0.556 -1.847 1.935) 2.732 20.698 ( -19.170 0.564 0.518) 19.186 20.705 ( -19.326 1.139 0.093) 19.360 20.727 ( -19.216 -0.686 1.028) 19.256 20.801 ( -20.394 -4.603 -0.488) 20.913 21.106 ( -21.435 12.642 -3.005) 25.066 21.660 ( -8.517 -12.786 -10.089) 18.379 21.862 ( 10.011 0.223 -0.893) 10.053 21.875 ( 9.881 -0.464 -1.209) 9.965 21.941 ( 6.891 -1.003 -2.295) 7.332 21.979 ( 6.325 -2.154 -1.579) 6.865 22.093 ( 5.015 1.825 1.105) 5.450 22.179 ( 2.502 -1.639 3.023) 4.252 27.030 ( -1.139 0.181 1.212) 1.673 27.043 ( -0.592 -0.398 1.450) 1.616 27.106 ( 0.574 0.131 -0.865) 1.047 27.112 ( 0.215 -0.176 -1.250) 1.280 27.564 ( -0.666 0.540 2.463) 2.608 27.599 ( 0.479 -1.078 1.211) 1.691 27.614 ( 1.068 0.239 0.386) 1.160 27.626 ( 0.527 -0.249 0.424) 0.721 27.807 ( -0.759 0.579 -1.934) 2.157 27.832 ( 0.294 -0.548 -1.965) 2.061 27.938 ( 2.826 -0.036 -0.161) 2.830 27.938 ( 2.468 -0.120 -0.223) 2.481 36.778 ( -5.670 1.905 -5.087) 7.853 36.853 ( -3.685 -1.909 -6.622) 7.815 37.042 ( 1.693 1.723 4.615) 5.209 37.103 ( -1.247 -0.365 3.945) 4.153 37.172 ( 0.896 -1.897 9.182) 9.419 37.227 ( -1.927 0.569 2.502) 3.209 37.266 ( -3.526 -2.028 3.235) 5.197 37.290 ( -3.575 -2.711 3.879) 5.931 37.740 ( -8.295 1.687 5.310) 9.992 37.761 ( -10.684 1.600 0.949) 10.845 37.999 ( -7.792 3.517 4.658) 9.736 38.154 ( -6.504 2.148 -0.129) 6.851 38.238 ( 3.105 12.660 2.556) 13.283 38.372 ( -4.181 2.904 0.076) 5.091 38.431 ( -3.119 7.003 -0.168) 7.668 38.578 ( -0.902 7.970 3.743) 8.851 38.650 ( -4.955 6.230 -3.292) 8.614 38.839 ( 12.242 -9.251 -2.135) 15.492 39.033 ( 6.757 -14.111 -3.770) 16.093 39.392 ( 22.665 -3.101 -1.432) 22.921 39.680 ( 23.001 4.035 -1.112) 23.379 39.749 ( 20.066 -1.946 4.350) 20.624 39.960 ( 26.437 -0.694 -0.923) 26.462 40.031 ( 28.827 -2.345 1.809) 28.978 ======================= Grid point 123 (67/96) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -21.078 -0.870 14.321) 25.498 1.347 ( -11.405 10.170 16.321) 22.358 1.588 ( -12.770 -16.952 -3.009) 21.435 1.809 ( -6.870 -8.386 4.973) 11.927 2.216 ( -8.333 11.258 7.535) 15.905 2.248 ( -12.215 10.713 -0.792) 16.267 2.426 ( -2.471 10.105 -5.615) 11.821 2.555 ( -8.978 7.349 -1.141) 11.659 2.592 ( -2.573 4.496 -3.311) 6.148 2.732 ( 3.440 3.693 3.675) 6.243 2.772 ( 4.207 0.683 2.609) 4.997 2.891 ( 0.836 0.391 6.711) 6.774 3.067 ( -0.952 5.667 0.680) 5.786 3.106 ( 1.712 -4.388 -3.894) 6.111 3.235 ( 6.064 2.746 -1.657) 6.860 3.417 ( 2.798 -6.471 -1.795) 7.275 3.510 ( -2.269 0.763 -1.146) 2.654 3.625 ( -0.588 -9.539 1.121) 9.622 3.676 ( 6.046 -6.134 2.995) 9.119 3.793 ( 3.798 -3.113 3.242) 5.884 3.952 ( 2.419 6.938 0.749) 7.386 4.035 ( 3.205 1.441 0.042) 3.515 4.145 ( -8.005 -4.678 6.550) 11.352 4.202 ( -0.018 -4.877 -1.196) 5.021 4.337 ( 3.114 -0.993 -4.239) 5.353 4.401 ( -3.626 3.283 -5.579) 7.420 4.559 ( -6.583 3.638 -8.948) 11.689 4.581 ( -6.721 0.047 -3.337) 7.504 4.600 ( -9.081 -0.314 -0.254) 9.090 4.643 ( -4.738 -0.357 -0.310) 4.762 4.726 ( -4.771 3.619 1.370) 6.143 4.894 ( -9.887 0.219 0.992) 9.939 4.985 ( -3.751 3.336 3.765) 6.275 5.058 ( -2.750 -5.256 5.183) 7.877 5.241 ( -6.440 -6.478 1.428) 9.245 5.289 ( -11.054 0.472 2.186) 11.278 5.359 ( -7.845 -4.554 1.473) 9.190 5.449 ( -3.855 -1.965 -6.992) 8.223 5.580 ( -2.528 6.336 -2.135) 7.148 5.635 ( -1.133 -0.233 3.754) 3.928 5.749 ( -0.613 -4.395 -0.256) 4.445 5.782 ( -4.719 -2.285 2.616) 5.860 5.977 ( -3.011 1.650 2.144) 4.048 6.003 ( -4.765 3.334 -0.073) 5.816 6.049 ( -4.733 2.618 -0.542) 5.436 6.212 ( -4.996 2.441 0.220) 5.565 6.221 ( -8.140 0.686 -4.121) 9.149 6.327 ( -1.373 -0.377 -0.797) 1.632 6.382 ( -11.414 3.617 -1.158) 12.029 6.451 ( -10.027 3.894 2.281) 10.996 6.503 ( -13.597 1.415 1.193) 13.722 6.575 ( -2.563 2.273 3.882) 5.177 6.681 ( -4.964 -3.177 5.304) 7.929 6.724 ( -4.589 4.908 -2.304) 7.103 6.820 ( 1.059 2.492 0.363) 2.732 6.919 ( -5.166 -7.199 -1.891) 9.060 6.983 ( -5.038 -6.245 -6.796) 10.515 7.042 ( -4.126 -1.423 -3.913) 5.862 7.148 ( -0.863 -7.941 2.663) 8.420 7.202 ( 3.039 3.068 -0.365) 4.334 7.266 ( -3.794 -7.139 -1.100) 8.159 7.369 ( -3.759 3.945 -2.271) 5.903 7.422 ( 0.337 -1.836 -0.279) 1.887 7.472 ( -0.659 6.133 -4.056) 7.382 7.556 ( -3.598 -7.839 -1.085) 8.693 7.658 ( -8.548 1.407 -0.900) 8.710 7.694 ( 2.428 -7.013 7.913) 10.848 7.750 ( -6.047 -0.505 4.068) 7.306 7.836 ( -5.289 -2.880 0.634) 6.055 7.892 ( -4.490 -4.743 6.295) 9.071 7.987 ( 0.196 -2.814 7.462) 7.977 8.039 ( -2.786 3.598 0.071) 4.552 8.083 ( -2.535 -7.009 -3.922) 8.423 8.204 ( -7.826 8.856 -2.289) 12.038 8.256 ( -4.488 -3.969 -1.068) 6.086 8.332 ( -1.428 3.360 -1.276) 3.868 8.377 ( -0.479 3.348 -2.239) 4.056 8.484 ( 3.506 0.437 -1.963) 4.042 8.506 ( -1.490 -0.429 -3.435) 3.769 8.560 ( -1.098 -1.067 -1.287) 2.000 8.617 ( 1.191 -1.702 -6.807) 7.117 8.695 ( 1.679 0.944 -1.720) 2.582 8.796 ( 3.028 2.014 1.951) 4.127 8.809 ( -1.308 7.199 2.288) 7.666 8.959 ( 1.207 -1.652 -1.589) 2.591 9.044 ( 2.510 -1.989 0.646) 3.267 9.069 ( -0.065 -0.431 2.117) 2.161 9.076 ( 1.166 -2.330 -1.203) 2.870 9.158 ( 1.111 -2.291 -3.826) 4.596 9.256 ( 1.622 3.746 -6.761) 7.898 9.321 ( 1.948 -1.447 -4.981) 5.540 9.354 ( 4.717 -1.149 -6.754) 8.318 9.444 ( 7.455 7.977 2.985) 11.319 9.494 ( 4.364 2.704 -1.625) 5.384 9.607 ( 1.418 -0.041 3.864) 4.116 9.703 ( 2.617 1.898 -0.584) 3.285 9.736 ( 1.092 1.337 -7.438) 7.636 9.878 ( 4.722 -5.786 0.309) 7.474 9.904 ( 3.817 2.712 2.267) 5.202 9.945 ( 2.662 -0.138 2.815) 3.877 10.053 ( 3.701 0.660 3.624) 5.222 10.123 ( 6.869 -1.096 3.069) 7.603 10.256 ( 0.888 4.841 -4.258) 6.508 10.388 ( 9.410 1.859 1.211) 9.668 10.507 ( 4.706 4.251 7.404) 9.748 10.683 ( 17.359 -5.143 2.269) 18.247 10.805 ( 6.596 -0.592 1.482) 6.786 10.911 ( 12.109 5.173 -1.552) 13.258 11.015 ( 12.484 -0.550 -3.384) 12.946 11.100 ( 8.756 3.919 0.917) 9.637 11.149 ( 10.610 -6.097 -4.213) 12.942 11.359 ( 8.392 -4.259 10.689) 14.241 11.545 ( 0.099 -0.484 -1.340) 1.429 11.734 ( 6.946 -5.165 -0.228) 8.659 11.940 ( 5.046 8.084 6.733) 11.668 12.299 ( 3.766 -10.098 1.444) 10.874 12.542 ( -5.938 1.114 -3.015) 6.752 12.700 ( -7.293 -9.536 -7.488) 14.149 12.756 ( -6.036 8.733 2.004) 10.803 13.020 ( -4.912 -2.811 3.988) 6.924 14.003 ( 2.880 7.972 0.164) 8.478 14.225 ( 8.371 -0.585 -0.896) 8.439 14.340 ( 6.299 4.639 0.360) 7.831 14.514 ( 5.345 -3.610 -3.638) 7.406 14.674 ( 0.614 1.782 2.605) 3.215 14.737 ( 1.073 -1.599 4.188) 4.610 14.815 ( 2.630 3.174 -3.793) 5.602 14.896 ( 4.880 -0.981 -4.222) 6.527 16.419 ( -5.188 1.089 1.766) 5.587 16.499 ( -2.639 -3.021 3.161) 5.108 16.554 ( 0.526 0.750 -11.165) 11.203 16.582 ( 0.905 -0.548 -9.155) 9.216 16.976 ( -0.650 1.827 -0.845) 2.116 17.055 ( 0.255 -1.887 -2.771) 3.362 17.074 ( -0.414 2.350 -4.546) 5.134 17.192 ( 3.218 -0.134 -0.155) 3.225 17.383 ( -2.097 -2.443 0.446) 3.251 17.416 ( 0.016 -2.837 3.233) 4.301 17.528 ( -2.295 2.617 4.595) 5.765 17.593 ( -0.940 -0.894 5.831) 5.974 17.622 ( 0.364 4.628 -1.758) 4.964 17.705 ( 1.302 -0.332 3.270) 3.535 17.784 ( 2.134 0.879 0.095) 2.310 17.820 ( -0.781 -1.636 -1.969) 2.676 17.907 ( 2.766 3.738 -4.285) 6.324 17.969 ( -0.922 2.016 -2.624) 3.435 18.024 ( -1.165 -2.165 -3.939) 4.644 18.090 ( 1.945 -0.198 -0.440) 2.004 18.142 ( 1.264 1.759 5.572) 5.978 18.215 ( 1.880 0.246 3.688) 4.147 18.263 ( 2.698 -0.433 4.373) 5.157 18.344 ( 2.079 -2.500 0.853) 3.362 18.615 ( -1.437 1.972 4.375) 5.009 18.723 ( 0.934 1.095 -0.903) 1.699 18.773 ( 0.175 -1.575 5.748) 5.963 18.873 ( 1.139 -2.633 2.811) 4.016 20.388 ( -16.298 0.451 0.397) 16.309 20.391 ( -16.151 0.492 0.186) 16.159 20.419 ( -16.582 -0.459 1.519) 16.657 20.456 ( -17.894 -2.813 -0.381) 18.118 20.669 ( -24.250 9.482 -3.825) 26.318 21.199 ( -28.573 -17.192 -22.812) 40.403 22.004 ( 6.637 0.106 -0.109) 6.639 22.013 ( 6.628 -0.433 -0.470) 6.659 22.045 ( 5.936 0.805 -1.141) 6.098 22.084 ( 4.887 -1.308 0.186) 5.063 22.171 ( 2.839 1.557 0.896) 3.359 22.221 ( 0.718 -0.817 1.368) 1.748 27.018 ( -1.071 0.441 1.060) 1.570 27.045 ( -0.448 -0.839 1.630) 1.887 27.105 ( 0.108 0.307 -0.868) 0.928 27.112 ( 0.485 -0.027 -0.449) 0.661 27.574 ( -0.299 0.638 2.383) 2.485 27.614 ( 0.448 -1.311 1.101) 1.769 27.639 ( 1.130 0.210 0.472) 1.243 27.644 ( 1.110 -0.006 1.090) 1.556 27.783 ( -0.231 1.025 -2.001) 2.260 27.825 ( 0.690 -0.865 -2.370) 2.616 27.981 ( 2.442 0.132 0.363) 2.472 27.988 ( 2.833 -0.147 0.143) 2.841 36.669 ( -3.313 2.216 -3.122) 5.063 36.756 ( -2.365 -2.062 -5.179) 6.056 37.051 ( -1.916 2.773 2.399) 4.137 37.133 ( -3.182 -0.541 4.399) 5.456 37.164 ( -2.536 -0.767 5.757) 6.338 37.219 ( -1.450 0.979 5.738) 5.998 37.239 ( -2.485 -3.041 2.666) 4.747 37.357 ( 1.362 -6.931 9.783) 12.066 37.581 ( -10.209 0.419 0.703) 10.242 37.604 ( -7.441 -0.435 0.389) 7.463 37.990 ( -0.174 3.348 9.359) 9.942 38.097 ( -2.113 5.951 2.073) 6.647 38.181 ( -5.374 -0.334 -0.500) 5.408 38.308 ( -4.393 -3.176 -2.190) 5.846 38.403 ( -1.130 14.077 0.542) 14.133 38.533 ( -1.273 6.697 -9.029) 11.313 38.747 ( 8.156 2.256 -6.612) 10.740 39.085 ( 8.930 -17.740 -6.006) 20.749 39.273 ( 33.132 16.582 20.235) 42.216 39.804 ( 21.901 6.020 5.685) 23.414 40.031 ( 15.247 8.316 5.304) 18.160 40.176 ( 26.271 -11.330 -2.977) 28.765 40.397 ( 23.496 1.116 0.211) 23.524 40.540 ( 26.078 -5.049 2.797) 26.709 ======================= Grid point 124 (68/96) ======================= q-point: (-0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -11.952 3.410 21.734) 25.037 1.201 ( -17.519 8.468 18.264) 26.687 1.469 ( 0.044 -13.885 4.513) 14.600 1.709 ( -6.585 -9.611 1.043) 11.697 2.079 ( -8.362 16.974 13.066) 22.995 2.176 ( -0.248 16.893 -5.678) 17.824 2.327 ( -3.948 5.754 -1.577) 7.154 2.346 ( -10.888 9.211 -0.381) 14.267 2.463 ( -2.942 1.939 -4.702) 5.876 2.741 ( 1.288 1.810 -6.458) 6.829 2.946 ( -2.247 1.471 1.582) 3.118 2.977 ( 3.362 1.547 7.871) 8.698 3.112 ( 7.829 7.762 7.615) 13.399 3.150 ( 2.343 -3.481 -5.892) 7.233 3.282 ( 4.220 2.390 -0.167) 4.853 3.432 ( 3.556 -6.338 0.379) 7.277 3.554 ( 4.706 -1.778 -3.382) 6.062 3.659 ( 3.944 -8.633 1.224) 9.570 3.759 ( 0.700 -2.942 2.001) 3.626 3.863 ( -0.790 -1.381 4.190) 4.482 4.013 ( 0.667 2.970 4.167) 5.161 4.043 ( -7.105 -5.125 6.159) 10.709 4.096 ( 1.712 0.663 -0.951) 2.068 4.136 ( -4.893 -3.491 -2.893) 6.671 4.248 ( -8.031 2.687 -10.457) 13.456 4.315 ( -2.717 -1.622 1.457) 3.483 4.396 ( 0.058 6.405 -3.435) 7.268 4.481 ( -0.738 -5.571 -2.268) 6.060 4.494 ( -7.584 0.249 0.754) 7.626 4.557 ( -2.214 -3.788 0.815) 4.463 4.712 ( -1.068 1.766 2.113) 2.954 4.746 ( -5.113 1.570 -1.082) 5.457 4.962 ( -2.856 3.838 1.877) 5.139 5.054 ( -3.325 -5.337 5.185) 8.151 5.108 ( -10.311 -6.740 0.452) 12.326 5.161 ( -2.604 2.952 1.182) 4.110 5.262 ( -3.695 -5.064 1.271) 6.396 5.325 ( -3.219 -2.231 -5.579) 6.816 5.525 ( -1.630 2.204 -1.076) 2.945 5.624 ( -2.498 -0.433 1.593) 2.994 5.712 ( -1.750 -3.209 1.983) 4.158 5.793 ( 1.590 -3.189 2.655) 4.444 5.901 ( -6.742 2.953 -1.594) 7.531 5.924 ( -5.370 4.136 3.148) 7.474 5.971 ( -3.797 3.065 2.086) 5.307 6.087 ( -4.028 1.470 -3.384) 5.462 6.097 ( -4.966 1.459 -3.082) 6.024 6.158 ( -6.575 0.947 -3.054) 7.312 6.289 ( -9.488 -2.948 -1.199) 10.007 6.308 ( -1.799 1.130 -0.311) 2.147 6.377 ( -5.390 0.294 7.621) 9.339 6.507 ( -5.929 -0.564 4.093) 7.227 6.581 ( -6.811 7.160 -2.560) 10.208 6.703 ( -4.791 -1.809 -3.048) 5.959 6.798 ( 3.176 1.059 -0.765) 3.434 6.873 ( 2.701 -6.792 -2.978) 7.893 6.910 ( 0.686 -1.202 -3.708) 3.958 6.991 ( 0.483 0.387 0.420) 0.748 7.124 ( -6.295 -0.277 -0.142) 6.303 7.188 ( 3.652 -1.219 -2.149) 4.409 7.287 ( 0.820 -0.534 -3.751) 3.877 7.338 ( 1.717 1.497 -3.221) 3.945 7.388 ( -3.887 -14.082 -1.064) 14.648 7.431 ( -5.766 1.477 -0.003) 5.952 7.455 ( -1.395 3.611 -0.595) 3.916 7.558 ( 0.421 5.369 -1.448) 5.577 7.692 ( -3.604 0.339 3.898) 5.319 7.721 ( -6.311 1.381 -4.873) 8.092 7.813 ( -1.870 -7.985 4.903) 9.555 7.832 ( -2.650 -4.038 7.692) 9.083 7.964 ( -4.578 -3.592 0.759) 5.868 8.041 ( -1.068 -7.064 0.193) 7.147 8.049 ( -0.806 4.758 0.770) 4.886 8.076 ( -3.403 4.336 4.295) 6.988 8.204 ( -1.651 -5.310 1.868) 5.866 8.251 ( -0.208 1.484 -7.194) 7.348 8.368 ( -3.516 1.781 -0.308) 3.953 8.397 ( -2.326 6.471 -3.695) 7.806 8.499 ( 0.318 -1.792 -4.036) 4.427 8.573 ( 0.645 -1.985 -0.786) 2.231 8.618 ( 2.044 0.663 -1.509) 2.626 8.715 ( 1.309 -1.516 -1.148) 2.309 8.800 ( 0.164 4.439 -2.137) 4.929 8.846 ( 2.093 4.052 -0.662) 4.608 8.954 ( 1.403 -2.946 -6.327) 7.119 9.028 ( -2.608 1.222 1.739) 3.365 9.077 ( -1.179 -5.260 1.743) 5.665 9.116 ( 0.944 2.368 -0.836) 2.683 9.145 ( 2.049 -4.050 -1.989) 4.956 9.232 ( 0.391 -2.135 -4.317) 4.832 9.330 ( 2.466 1.214 -2.652) 3.819 9.387 ( 3.456 -0.672 -5.469) 6.504 9.537 ( 2.787 7.186 -1.554) 7.863 9.566 ( 3.632 6.606 -1.423) 7.672 9.655 ( 2.346 -2.434 1.698) 3.783 9.723 ( 1.324 -1.406 -1.789) 2.632 9.742 ( 2.529 2.026 -0.116) 3.242 9.885 ( 1.006 -1.180 -1.854) 2.417 10.005 ( 1.726 1.984 5.323) 5.937 10.050 ( 3.967 -1.779 1.945) 4.763 10.131 ( 3.292 3.261 2.393) 5.215 10.246 ( 3.328 -2.011 4.113) 5.660 10.260 ( 0.530 3.776 1.265) 4.018 10.472 ( 2.239 -2.916 2.454) 4.420 10.653 ( 5.189 10.310 2.545) 11.819 10.872 ( 2.457 -2.100 -0.032) 3.233 10.928 ( 8.772 -1.285 -3.267) 9.448 11.076 ( 1.944 -2.862 -0.880) 3.570 11.189 ( 12.189 3.837 -1.703) 12.891 11.234 ( 6.773 0.097 1.507) 6.939 11.328 ( 11.390 -3.022 -1.931) 11.941 11.492 ( 3.404 10.821 -4.163) 12.084 11.684 ( 3.622 -18.132 16.878) 25.035 11.916 ( 12.526 -7.896 -0.254) 14.809 12.115 ( 8.896 4.167 8.314) 12.870 12.269 ( -5.182 -3.714 2.162) 6.732 12.463 ( -0.221 -0.706 -6.296) 6.340 12.518 ( -5.644 -6.730 -2.736) 9.199 12.683 ( -4.206 6.216 2.174) 7.814 12.934 ( -8.743 -5.196 4.429) 11.093 14.071 ( 3.934 11.865 0.152) 12.502 14.352 ( 6.121 -3.033 -1.237) 6.942 14.437 ( 5.408 6.185 -3.024) 8.755 14.548 ( 2.448 -2.402 -6.496) 7.346 14.702 ( 1.516 1.810 0.107) 2.364 14.792 ( 1.724 0.400 2.067) 2.721 14.836 ( 1.550 3.822 -0.565) 4.163 14.958 ( 4.477 -1.570 -2.159) 5.212 16.319 ( -5.701 1.786 -1.796) 6.239 16.436 ( -1.896 -2.032 -6.129) 6.730 16.494 ( -0.224 -2.319 -8.357) 8.676 16.543 ( 2.741 -1.784 -10.167) 10.680 16.947 ( -0.284 1.044 -3.730) 3.883 17.034 ( -0.612 -2.796 -3.389) 4.436 17.073 ( 0.893 5.333 3.222) 6.294 17.275 ( 4.446 3.090 0.872) 5.484 17.368 ( -0.828 -3.434 3.717) 5.128 17.435 ( -0.644 -1.870 2.720) 3.363 17.517 ( -0.769 2.038 0.900) 2.357 17.613 ( -0.584 5.351 -0.299) 5.391 17.619 ( -1.286 -1.584 5.877) 6.221 17.747 ( 0.812 -2.535 2.501) 3.653 17.806 ( 0.561 -0.640 -1.107) 1.397 17.825 ( 2.332 0.266 -0.603) 2.423 17.921 ( 1.666 1.552 -3.263) 3.978 17.945 ( -0.063 3.456 -0.901) 3.572 17.966 ( -1.422 -0.992 -4.297) 4.633 18.122 ( 2.101 -0.811 -1.194) 2.549 18.210 ( 1.977 1.591 4.358) 5.043 18.262 ( 1.440 2.116 1.372) 2.904 18.344 ( 1.670 -3.487 5.574) 6.784 18.392 ( 1.918 -2.224 2.574) 3.905 18.628 ( -0.348 3.575 3.376) 4.930 18.729 ( 0.646 3.268 -1.320) 3.584 18.839 ( 1.509 -3.554 6.707) 7.739 18.917 ( 0.882 -3.573 3.360) 4.983 20.150 ( -10.146 0.237 -0.232) 10.152 20.162 ( -9.738 -0.258 -0.014) 9.742 20.189 ( -10.162 -0.009 0.771) 10.191 20.197 ( -10.677 -0.525 0.045) 10.690 20.264 ( -17.445 2.785 -1.622) 17.740 20.450 ( -34.314 -6.928 -12.981) 37.336 22.094 ( 3.608 0.096 0.333) 3.625 22.100 ( 3.576 -0.239 -0.092) 3.585 22.119 ( 3.125 0.662 -0.481) 3.231 22.146 ( 2.073 -0.713 0.000) 2.192 22.208 ( 0.893 0.680 0.604) 1.274 22.231 ( -0.342 -0.361 0.711) 0.868 27.011 ( -0.710 0.699 1.261) 1.607 27.051 ( -0.305 -1.257 1.489) 1.972 27.101 ( 0.008 0.699 -0.628) 0.940 27.116 ( 0.242 -0.151 -0.160) 0.327 27.588 ( -0.187 0.752 2.601) 2.714 27.631 ( 0.137 -1.272 1.631) 2.073 27.660 ( 0.839 0.388 0.704) 1.162 27.670 ( 0.678 -0.161 0.884) 1.125 27.772 ( 0.580 1.236 -1.830) 2.283 27.820 ( 0.869 -0.984 -2.657) 2.964 28.025 ( 1.897 0.207 0.591) 1.998 28.033 ( 1.956 -0.151 0.166) 1.969 36.614 ( -1.165 2.020 -1.445) 2.743 36.693 ( -0.830 -1.727 -4.173) 4.592 37.045 ( -1.221 1.408 3.921) 4.341 37.091 ( -2.685 -0.289 2.401) 3.613 37.153 ( -2.150 -0.717 2.946) 3.717 37.210 ( -2.133 -3.639 3.424) 5.432 37.289 ( 0.303 2.669 7.843) 8.290 37.387 ( -3.762 -1.153 -0.455) 3.961 37.480 ( -1.837 -3.121 6.534) 7.471 37.524 ( -2.620 -2.833 3.461) 5.183 38.057 ( -2.434 6.822 -1.254) 7.350 38.081 ( 1.159 3.027 9.442) 9.983 38.140 ( -1.345 -0.329 3.902) 4.141 38.230 ( -2.981 -2.700 0.833) 4.107 38.373 ( -2.439 13.832 -0.793) 14.068 38.455 ( 0.964 9.124 -9.947) 13.533 38.730 ( 2.108 -6.686 -17.155) 18.532 39.105 ( 3.091 -16.077 -12.297) 20.476 40.020 ( 18.887 9.633 10.274) 23.560 40.279 ( 10.880 8.041 6.011) 14.804 40.356 ( 30.575 0.693 9.008) 31.882 40.547 ( 18.259 -9.413 -6.153) 21.444 40.807 ( 24.425 3.516 3.301) 24.896 40.935 ( 15.868 -3.117 0.594) 16.182 ======================= Grid point 125 (69/96) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 5.898 -9.103 21.731) 24.288 1.294 ( 5.898 9.103 21.731) 24.288 1.469 ( 1.267 -4.710 14.106) 14.925 1.469 ( 1.267 4.710 14.106) 14.925 2.188 ( -5.938 -6.276 -6.768) 10.976 2.188 ( -5.938 6.276 -6.768) 10.976 2.385 ( 1.579 -8.149 -4.810) 9.593 2.385 ( 1.579 8.149 -4.810) 9.593 2.574 ( 3.630 -11.359 -15.563) 19.607 2.574 ( 3.630 11.359 -15.563) 19.607 2.994 ( -1.024 -4.633 -2.852) 5.536 2.994 ( -1.024 4.633 -2.852) 5.536 3.246 ( 2.840 -8.929 17.683) 20.012 3.246 ( 2.840 8.929 17.683) 20.012 3.421 ( 0.728 -5.612 -0.588) 5.689 3.421 ( 0.728 5.612 -0.588) 5.689 3.596 ( -0.589 -4.988 1.498) 5.241 3.596 ( -0.589 4.988 1.498) 5.241 3.811 ( -1.898 -2.174 7.461) 8.000 3.811 ( -1.898 2.174 7.461) 8.000 3.988 ( -2.195 -1.976 1.050) 3.135 3.988 ( -2.195 1.976 1.050) 3.135 4.092 ( -1.504 -10.273 0.836) 10.416 4.092 ( -1.504 10.273 0.836) 10.416 4.193 ( 1.869 -7.924 -0.231) 8.145 4.193 ( 1.869 7.924 -0.231) 8.145 4.376 ( -1.930 -4.180 -3.075) 5.536 4.376 ( -1.930 4.180 -3.075) 5.536 4.551 ( 5.183 -2.809 -0.890) 5.962 4.551 ( 5.183 2.809 -0.890) 5.962 4.676 ( -3.110 -3.589 -3.607) 5.963 4.676 ( -3.110 3.589 -3.607) 5.963 4.832 ( -6.316 -3.690 0.763) 7.354 4.832 ( -6.316 3.690 0.763) 7.354 5.174 ( 4.375 -5.111 4.145) 7.902 5.174 ( 4.375 5.111 4.145) 7.902 5.235 ( 2.215 -1.482 -2.871) 3.918 5.235 ( 2.215 1.482 -2.871) 3.918 5.538 ( -1.602 -3.214 -1.998) 4.109 5.538 ( -1.602 3.214 -1.998) 4.109 5.812 ( 4.485 -3.201 8.018) 9.729 5.812 ( 4.485 3.201 8.018) 9.729 5.869 ( -3.183 -2.263 0.669) 3.963 5.869 ( -3.183 2.263 0.669) 3.963 5.982 ( -1.910 -6.259 -4.036) 7.689 5.982 ( -1.910 6.259 -4.036) 7.689 6.052 ( -3.995 -0.612 0.931) 4.147 6.052 ( -3.995 0.612 0.931) 4.147 6.218 ( 3.025 -6.888 -0.063) 7.523 6.218 ( 3.025 6.888 -0.063) 7.523 6.367 ( -3.840 -5.640 1.154) 6.920 6.367 ( -3.840 5.640 1.154) 6.920 6.606 ( 0.056 -9.504 -3.791) 10.232 6.606 ( 0.056 9.504 -3.791) 10.232 6.807 ( -0.619 -5.451 0.689) 5.529 6.807 ( -0.619 5.451 0.689) 5.529 7.010 ( 0.245 -1.117 4.272) 4.422 7.010 ( 0.245 1.117 4.272) 4.422 7.100 ( 5.452 -3.875 -10.727) 12.642 7.100 ( 5.452 3.875 -10.727) 12.642 7.273 ( -0.796 -0.985 -3.994) 4.190 7.273 ( -0.796 0.985 -3.994) 4.190 7.375 ( -4.043 -2.088 5.786) 7.361 7.375 ( -4.043 2.088 5.786) 7.361 7.517 ( 1.171 -4.860 -0.863) 5.073 7.517 ( 1.171 4.860 -0.863) 5.073 7.714 ( -0.564 -2.646 0.574) 2.766 7.714 ( -0.564 2.646 0.574) 2.766 7.767 ( 1.493 -4.602 1.592) 5.094 7.767 ( 1.493 4.602 1.592) 5.094 7.921 ( 0.118 -3.690 4.561) 5.868 7.921 ( 0.118 3.690 4.561) 5.868 8.086 ( -1.628 -3.289 -0.138) 3.673 8.086 ( -1.628 3.289 -0.138) 3.673 8.217 ( 0.431 -6.735 -2.978) 7.377 8.217 ( 0.431 6.735 -2.978) 7.377 8.339 ( -1.527 -6.910 1.893) 7.326 8.339 ( -1.527 6.910 1.893) 7.326 8.494 ( -0.714 -4.984 -4.680) 6.874 8.494 ( -0.714 4.984 -4.680) 6.874 8.656 ( -0.955 -3.170 0.063) 3.312 8.656 ( -0.955 3.170 0.063) 3.312 8.894 ( 1.771 -2.025 -5.281) 5.927 8.894 ( 1.771 2.025 -5.281) 5.927 8.932 ( 0.966 -1.891 -3.784) 4.339 8.932 ( 0.966 1.891 -3.784) 4.339 9.062 ( -0.183 -3.943 -1.587) 4.255 9.062 ( -0.183 3.943 -1.587) 4.255 9.179 ( -2.017 -1.759 4.521) 5.254 9.179 ( -2.017 1.759 4.521) 5.254 9.392 ( 2.070 -1.315 -2.631) 3.597 9.392 ( 2.070 1.315 -2.631) 3.597 9.647 ( -0.071 -3.400 -0.765) 3.486 9.647 ( -0.071 3.400 -0.765) 3.486 9.676 ( 1.401 -2.192 -2.016) 3.291 9.676 ( 1.401 2.192 -2.016) 3.291 9.853 ( 1.545 -4.441 0.824) 4.774 9.853 ( 1.545 4.441 0.824) 4.774 10.024 ( -3.416 -0.827 1.057) 3.670 10.024 ( -3.416 0.827 1.057) 3.670 10.253 ( 1.088 -3.671 2.519) 4.583 10.253 ( 1.088 3.671 2.519) 4.583 10.407 ( 0.319 -6.834 1.851) 7.087 10.407 ( 0.319 6.834 1.851) 7.087 10.897 ( 1.104 -4.740 0.945) 4.958 10.897 ( 1.104 4.740 0.945) 4.958 10.947 ( -3.319 -3.871 -2.828) 5.831 10.947 ( -3.319 3.871 -2.828) 5.831 11.345 ( 3.889 -7.235 3.572) 8.957 11.345 ( 3.889 7.235 3.572) 8.957 11.505 ( -1.077 -5.659 4.051) 7.043 11.505 ( -1.077 5.659 4.051) 7.043 11.799 ( 2.755 -14.238 -3.149) 14.840 11.799 ( 2.755 14.238 -3.149) 14.840 12.208 ( -5.858 -4.838 4.621) 8.892 12.208 ( -5.858 4.838 4.621) 8.892 12.493 ( 6.814 -2.064 -2.550) 7.562 12.493 ( 6.814 2.064 -2.550) 7.562 12.721 ( -1.042 -1.368 2.299) 2.871 12.721 ( -1.042 1.368 2.299) 2.871 14.273 ( -0.806 -6.872 1.236) 7.028 14.273 ( -0.806 6.872 1.236) 7.028 14.515 ( -0.070 -1.097 -9.226) 9.292 14.515 ( -0.070 1.097 -9.226) 9.292 14.791 ( -0.106 -3.609 1.502) 3.911 14.791 ( -0.106 3.609 1.502) 3.911 14.941 ( 1.855 -4.709 -1.943) 5.421 14.941 ( 1.855 4.709 -1.943) 5.421 16.272 ( -4.087 -4.204 -1.067) 5.959 16.272 ( -4.087 4.204 -1.067) 5.959 16.475 ( 4.634 -3.420 -11.898) 13.218 16.475 ( 4.634 3.420 -11.898) 13.218 16.949 ( 0.297 -1.933 -3.256) 3.798 16.949 ( 0.297 1.933 -3.256) 3.798 17.283 ( 0.470 -8.955 6.449) 11.046 17.283 ( 0.470 8.955 6.449) 11.046 17.413 ( 0.353 -4.453 2.439) 5.090 17.413 ( 0.353 4.453 2.439) 5.090 17.562 ( -0.951 -4.559 3.264) 5.687 17.562 ( -0.951 4.559 3.264) 5.687 17.680 ( -1.484 -3.692 -0.683) 4.037 17.680 ( -1.484 3.692 -0.683) 4.037 17.819 ( -0.756 -1.604 -0.717) 1.913 17.819 ( -0.756 1.604 -0.717) 1.913 17.921 ( -0.630 -0.315 -1.441) 1.604 17.921 ( -0.630 0.315 -1.441) 1.604 18.045 ( 1.783 -7.103 -4.822) 8.768 18.045 ( 1.783 7.103 -4.822) 8.768 18.310 ( 0.694 -2.707 3.868) 4.772 18.310 ( 0.694 2.707 3.868) 4.772 18.370 ( -0.040 -3.330 1.775) 3.774 18.370 ( -0.040 3.330 1.775) 3.774 18.739 ( -1.468 -4.501 2.006) 5.142 18.739 ( -1.468 4.501 2.006) 5.142 18.864 ( -0.493 -2.869 3.419) 4.491 18.864 ( -0.493 2.869 3.419) 4.491 20.057 ( -0.430 -0.090 -0.360) 0.568 20.057 ( -0.430 0.090 -0.360) 0.568 20.077 ( 0.093 -0.040 -0.058) 0.117 20.077 ( 0.093 0.040 -0.058) 0.117 20.115 ( -0.046 -0.066 0.339) 0.348 20.115 ( -0.046 0.066 0.339) 0.348 22.137 ( 0.720 -0.066 0.261) 0.769 22.137 ( 0.720 0.066 0.261) 0.769 22.152 ( -0.021 -0.409 -0.517) 0.660 22.152 ( -0.021 0.409 -0.517) 0.660 22.219 ( -0.848 -0.211 0.717) 1.130 22.219 ( -0.848 0.211 0.717) 1.130 27.032 ( -0.215 -1.280 1.307) 1.842 27.032 ( -0.215 1.280 1.307) 1.842 27.110 ( -0.051 -0.600 -0.262) 0.657 27.110 ( -0.051 0.600 -0.262) 0.657 27.619 ( -0.633 -1.172 2.431) 2.772 27.619 ( -0.633 1.172 2.431) 2.772 27.674 ( -0.454 -0.060 0.428) 0.626 27.674 ( -0.454 0.060 0.428) 0.626 27.797 ( 1.112 -1.192 -2.224) 2.757 27.797 ( 1.112 1.192 -2.224) 2.757 28.051 ( 0.246 -0.184 0.213) 0.374 28.051 ( 0.246 0.184 0.213) 0.374 36.636 ( 0.772 -1.901 -2.129) 2.957 36.636 ( 0.772 1.901 -2.129) 2.957 37.069 ( -0.220 -0.567 2.071) 2.159 37.069 ( -0.220 0.567 2.071) 2.159 37.171 ( 0.290 -1.787 4.097) 4.480 37.171 ( 0.290 1.787 4.097) 4.480 37.328 ( -0.865 -0.638 -1.958) 2.234 37.328 ( -0.865 0.638 -1.958) 2.234 37.531 ( 1.235 -0.614 10.531) 10.621 37.531 ( 1.235 0.614 10.531) 10.621 38.085 ( -0.096 -2.589 -0.091) 2.592 38.085 ( -0.096 2.589 -0.091) 2.592 38.248 ( -0.129 -1.800 9.297) 9.471 38.248 ( -0.129 1.800 9.297) 9.471 38.435 ( -2.569 -8.259 -13.299) 15.864 38.435 ( -2.569 8.259 -13.299) 15.864 38.739 ( 0.106 -17.865 -6.037) 18.858 38.739 ( 0.106 17.865 -6.037) 18.858 40.410 ( 1.158 -8.941 3.611) 9.712 40.410 ( 1.158 8.941 3.611) 9.712 40.573 ( 1.027 -1.365 -5.059) 5.340 40.573 ( 1.027 1.365 -5.059) 5.340 41.075 ( 0.332 -2.911 -2.016) 3.557 41.075 ( 0.332 2.911 -2.016) 3.557 ======================= Grid point 127 (70/96) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 11.622 -15.095 13.950) 23.612 1.587 ( 11.622 15.095 13.950) 23.612 1.731 ( 11.901 -9.145 16.563) 22.352 1.731 ( 11.901 9.145 16.563) 22.352 2.070 ( 0.868 -4.223 -9.840) 10.743 2.070 ( 0.868 4.223 -9.840) 10.743 2.334 ( -1.121 -10.522 -8.169) 13.368 2.334 ( -1.121 10.522 -8.169) 13.368 2.546 ( 4.812 -5.944 -12.044) 14.267 2.546 ( 4.812 5.944 -12.044) 14.267 2.970 ( -0.526 -7.946 -0.290) 7.969 2.970 ( -0.526 7.946 -0.290) 7.969 3.345 ( -5.042 -2.456 5.922) 8.156 3.345 ( -5.042 2.456 5.922) 8.156 3.421 ( -0.153 -10.278 2.582) 10.599 3.421 ( -0.153 10.278 2.582) 10.599 3.570 ( 0.981 -0.654 -0.338) 1.227 3.570 ( 0.981 0.654 -0.338) 1.227 3.813 ( -3.667 -3.708 8.142) 9.669 3.813 ( -3.667 3.708 8.142) 9.669 3.947 ( -3.136 -8.884 2.169) 9.668 3.947 ( -3.136 8.884 2.169) 9.668 4.129 ( -1.773 -7.545 -0.837) 7.796 4.129 ( -1.773 7.545 -0.837) 7.796 4.260 ( 7.943 -1.183 1.194) 8.118 4.260 ( 7.943 1.183 1.194) 8.118 4.363 ( 2.031 -3.737 -0.784) 4.325 4.363 ( 2.031 3.737 -0.784) 4.325 4.554 ( -2.839 -1.149 -2.923) 4.233 4.554 ( -2.839 1.149 -2.923) 4.233 4.692 ( 8.488 -3.502 0.482) 9.194 4.692 ( 8.488 3.502 0.482) 9.194 4.826 ( 2.628 -2.461 1.514) 3.905 4.826 ( 2.628 2.461 1.514) 3.905 5.251 ( 4.945 -2.490 -3.258) 6.424 5.251 ( 4.945 2.490 -3.258) 6.424 5.318 ( 5.995 -2.669 0.427) 6.576 5.318 ( 5.995 2.669 0.427) 6.576 5.521 ( 2.013 -1.526 -2.653) 3.663 5.521 ( 2.013 1.526 -2.653) 3.663 5.825 ( -1.826 -3.732 2.643) 4.925 5.825 ( -1.826 3.732 2.643) 4.925 5.898 ( 1.672 -2.347 -1.930) 3.468 5.898 ( 1.672 2.347 -1.930) 3.468 6.025 ( 5.157 -3.002 3.609) 6.974 6.025 ( 5.157 3.002 3.609) 6.974 6.088 ( 7.210 -5.631 2.952) 9.613 6.088 ( 7.210 5.631 2.952) 9.613 6.299 ( 4.081 -7.605 3.801) 9.431 6.299 ( 4.081 7.605 3.801) 9.431 6.354 ( 2.398 -0.634 0.273) 2.495 6.354 ( 2.398 0.634 0.273) 2.495 6.632 ( 4.975 -9.053 -1.133) 10.392 6.632 ( 4.975 9.053 -1.133) 10.392 6.818 ( 1.322 -4.125 -0.124) 4.333 6.818 ( 1.322 4.125 -0.124) 4.333 7.041 ( -0.293 -4.131 3.255) 5.267 7.041 ( -0.293 4.131 3.255) 5.267 7.102 ( 5.912 -3.804 -13.266) 15.014 7.102 ( 5.912 3.804 -13.266) 15.014 7.213 ( -1.669 -3.736 -2.517) 4.804 7.213 ( -1.669 3.736 -2.517) 4.804 7.354 ( -2.189 -2.656 5.292) 6.312 7.354 ( -2.189 2.656 5.292) 6.312 7.609 ( 6.618 -1.954 0.673) 6.933 7.609 ( 6.618 1.954 0.673) 6.933 7.706 ( 0.148 -4.692 0.775) 4.758 7.706 ( 0.148 4.692 0.775) 4.758 7.830 ( 3.887 -0.653 1.877) 4.365 7.830 ( 3.887 0.653 1.877) 4.365 7.975 ( 1.288 -3.586 3.952) 5.490 7.975 ( 1.288 3.586 3.952) 5.490 8.088 ( 0.686 -4.977 2.790) 5.747 8.088 ( 0.686 4.977 2.790) 5.747 8.152 ( -1.399 -3.776 -7.347) 8.378 8.152 ( -1.399 3.776 -7.347) 8.378 8.365 ( -1.005 -8.993 2.507) 9.390 8.365 ( -1.005 8.993 2.507) 9.390 8.464 ( 1.563 -0.234 0.663) 1.714 8.464 ( 1.563 0.234 0.663) 1.714 8.632 ( -1.200 -2.197 -0.617) 2.578 8.632 ( -1.200 2.197 -0.617) 2.578 8.857 ( -0.987 -4.557 -8.101) 9.347 8.857 ( -0.987 4.557 -8.101) 9.347 8.937 ( 2.860 -3.557 -3.156) 5.549 8.937 ( 2.860 3.557 -3.156) 5.549 9.055 ( -0.134 -1.848 0.396) 1.895 9.055 ( -0.134 1.848 0.396) 1.895 9.173 ( -2.722 -1.512 4.320) 5.326 9.173 ( -2.722 1.512 4.320) 5.326 9.389 ( -0.243 -0.700 -2.605) 2.708 9.389 ( -0.243 0.700 -2.605) 2.708 9.607 ( -3.181 -3.361 -0.760) 4.690 9.607 ( -3.181 3.361 -0.760) 4.690 9.668 ( -0.873 -2.691 -2.612) 3.851 9.668 ( -0.873 2.691 -2.612) 3.851 9.875 ( -0.133 -2.647 -0.260) 2.663 9.875 ( -0.133 2.647 -0.260) 2.663 9.962 ( -4.554 -5.815 3.608) 8.220 9.962 ( -4.554 5.815 3.608) 8.220 10.251 ( -2.828 -4.101 0.623) 5.020 10.251 ( -2.828 4.101 0.623) 5.020 10.407 ( -1.937 -3.909 1.519) 4.619 10.407 ( -1.937 3.909 1.519) 4.619 10.832 ( -7.608 -8.297 -0.138) 11.258 10.832 ( -7.608 8.297 -0.138) 11.258 10.871 ( -4.325 -4.968 -1.174) 6.691 10.871 ( -4.325 4.968 -1.174) 6.691 11.369 ( -5.478 -7.058 -0.840) 8.974 11.369 ( -5.478 7.058 -0.840) 8.974 11.440 ( -5.911 -5.787 3.956) 9.170 11.440 ( -5.911 5.787 3.956) 9.170 11.781 ( -2.448 -15.312 -4.673) 16.195 11.781 ( -2.448 15.312 -4.673) 16.195 12.145 ( -4.646 -5.203 7.633) 10.340 12.145 ( -4.646 5.203 7.633) 10.340 12.475 ( -0.901 -2.116 -6.039) 6.462 12.475 ( -0.901 2.116 -6.039) 6.462 12.879 ( 11.488 -9.084 1.754) 14.750 12.879 ( 11.488 9.084 1.754) 14.750 14.236 ( -4.656 -4.299 1.831) 6.597 14.236 ( -4.656 4.299 1.831) 6.597 14.394 ( -6.175 -3.868 -5.848) 9.343 14.394 ( -6.175 3.868 -5.848) 9.343 14.784 ( -1.861 -3.900 2.143) 4.823 14.784 ( -1.861 3.900 2.143) 4.823 14.950 ( 1.185 -4.517 -2.960) 5.529 14.950 ( 1.185 4.517 -2.960) 5.529 16.226 ( -0.800 -3.525 0.326) 3.629 16.226 ( -0.800 3.525 0.326) 3.629 16.493 ( 6.290 -3.982 -9.232) 11.860 16.493 ( 6.290 3.982 -9.232) 11.860 16.943 ( 1.276 -0.899 -2.151) 2.658 16.943 ( 1.276 0.899 -2.151) 2.658 17.308 ( -1.959 -8.047 4.142) 9.260 17.308 ( -1.959 8.047 4.142) 9.260 17.435 ( 0.342 -3.542 2.154) 4.160 17.435 ( 0.342 3.542 2.154) 4.160 17.582 ( -0.397 -3.707 4.561) 5.891 17.582 ( -0.397 3.707 4.561) 5.891 17.642 ( -1.672 -4.391 -0.960) 4.796 17.642 ( -1.672 4.391 -0.960) 4.796 17.785 ( -2.367 -2.860 -0.659) 3.771 17.785 ( -2.367 2.860 -0.659) 3.771 17.896 ( -1.675 -0.644 -0.174) 1.804 17.896 ( -1.675 0.644 -0.174) 1.804 18.040 ( 1.627 -5.995 -4.906) 7.916 18.040 ( 1.627 5.995 -4.906) 7.916 18.330 ( -0.504 -2.234 1.499) 2.737 18.330 ( -0.504 2.234 1.499) 2.737 18.369 ( -1.298 -1.815 1.673) 2.789 18.369 ( -1.298 1.815 1.673) 2.789 18.711 ( -2.913 -4.507 2.541) 5.938 18.711 ( -2.913 4.507 2.541) 5.938 18.870 ( -1.438 -2.038 2.671) 3.655 18.870 ( -1.438 2.038 2.671) 3.655 20.168 ( 11.073 -0.238 -0.229) 11.078 20.168 ( 11.073 0.238 -0.229) 11.078 20.207 ( 13.259 -0.824 0.628) 13.300 20.207 ( 13.259 0.824 0.628) 13.300 20.243 ( 15.403 -1.691 -2.124) 15.641 20.243 ( 15.403 1.691 -2.124) 15.641 22.117 ( -2.952 -0.542 -0.580) 3.056 22.117 ( -2.952 0.542 -0.580) 3.056 22.129 ( -2.255 -0.379 -0.307) 2.307 22.129 ( -2.255 0.379 -0.307) 2.307 22.205 ( -1.606 -0.355 1.359) 2.133 22.205 ( -1.606 0.355 1.359) 2.133 27.039 ( -0.111 -1.028 1.171) 1.562 27.039 ( -0.111 1.028 1.171) 1.562 27.107 ( 0.022 -0.683 -0.324) 0.757 27.107 ( 0.022 0.683 -0.324) 0.757 27.620 ( -1.369 -0.978 2.437) 2.962 27.620 ( -1.369 0.978 2.437) 2.962 27.658 ( -1.581 -0.304 0.187) 1.621 27.658 ( -1.581 0.304 0.187) 1.621 27.801 ( 1.252 -0.569 -2.211) 2.604 27.801 ( 1.252 0.569 -2.211) 2.604 28.041 ( -1.451 -0.189 0.014) 1.463 28.041 ( -1.451 0.189 0.014) 1.463 36.648 ( 2.280 -1.224 -2.065) 3.311 36.648 ( 2.280 1.224 -2.065) 3.311 37.092 ( 1.222 -1.001 1.273) 2.028 37.092 ( 1.222 1.001 1.273) 2.028 37.236 ( 3.485 -0.884 4.649) 5.877 37.236 ( 3.485 0.884 4.649) 5.877 37.320 ( 2.012 -1.261 -2.444) 3.407 37.320 ( 2.012 1.261 -2.444) 3.407 37.633 ( 2.123 -0.203 7.932) 8.214 37.633 ( 2.123 0.203 7.932) 8.214 38.107 ( 0.992 -2.592 1.969) 3.403 38.107 ( 0.992 2.592 1.969) 3.403 38.239 ( -1.734 -5.263 -8.850) 10.442 38.239 ( -1.734 5.263 -8.850) 10.442 38.357 ( -1.481 -2.516 5.933) 6.613 38.357 ( -1.481 2.516 5.933) 6.613 38.683 ( -1.258 -11.920 -5.665) 13.258 38.683 ( -1.258 11.920 -5.665) 13.258 40.337 ( -13.122 -8.448 0.221) 15.607 40.337 ( -13.122 8.448 0.221) 15.607 40.391 ( -15.458 -2.720 -2.439) 15.883 40.391 ( -15.458 2.720 -2.439) 15.883 40.898 ( -17.628 -3.891 0.993) 18.079 40.898 ( -17.628 3.891 0.993) 18.079 ======================= Grid point 129 (71/96) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 5.997 -8.907 0.281) 10.742 1.849 ( 5.997 8.907 0.281) 10.742 1.928 ( 12.290 -4.788 -8.982) 15.958 1.928 ( 12.290 4.788 -8.982) 15.958 2.210 ( 11.240 -7.659 13.794) 19.372 2.210 ( 11.240 7.659 13.794) 19.372 2.264 ( -0.079 -10.261 -4.398) 11.164 2.264 ( -0.079 10.261 -4.398) 11.164 2.572 ( 5.838 -6.281 -4.921) 9.887 2.572 ( 5.838 6.281 -4.921) 9.887 2.963 ( -1.594 -5.445 1.291) 5.819 2.963 ( -1.594 5.445 1.291) 5.819 3.247 ( -4.404 -1.307 -1.960) 4.994 3.247 ( -4.404 1.307 -1.960) 4.994 3.428 ( -0.695 -11.208 0.615) 11.246 3.428 ( -0.695 11.208 0.615) 11.246 3.572 ( -1.320 -3.954 -2.283) 4.753 3.572 ( -1.320 3.954 -2.283) 4.753 3.782 ( -5.784 -5.958 -0.541) 8.322 3.782 ( -5.784 5.958 -0.541) 8.322 3.918 ( -2.789 -5.395 4.052) 7.301 3.918 ( -2.789 5.395 4.052) 7.301 4.117 ( 1.285 -6.171 5.038) 8.069 4.117 ( 1.285 6.171 5.038) 8.069 4.298 ( -1.158 -10.310 -0.059) 10.375 4.298 ( -1.158 10.310 -0.059) 10.375 4.464 ( 6.985 -2.464 -2.795) 7.916 4.464 ( 6.985 2.464 -2.795) 7.916 4.586 ( 6.015 -6.821 6.084) 10.942 4.586 ( 6.015 6.821 6.084) 10.942 4.858 ( 5.761 -3.459 2.628) 7.215 4.858 ( 5.761 3.459 2.628) 7.215 4.908 ( 7.120 -0.266 1.643) 7.312 4.908 ( 7.120 0.266 1.643) 7.312 5.323 ( 7.028 -5.253 -7.157) 11.323 5.323 ( 7.028 5.253 -7.157) 11.323 5.394 ( 5.698 -3.672 -6.290) 9.247 5.394 ( 5.698 3.672 -6.290) 9.247 5.566 ( 2.259 -3.376 3.376) 5.282 5.566 ( 2.259 3.376 3.376) 5.282 5.838 ( 1.669 -6.357 0.396) 6.584 5.838 ( 1.669 6.357 0.396) 6.584 5.960 ( 5.777 -4.185 1.211) 7.235 5.960 ( 5.777 4.185 1.211) 7.235 6.091 ( 1.503 -1.211 0.698) 2.052 6.091 ( 1.503 1.211 0.698) 2.052 6.309 ( 12.855 -4.159 1.526) 13.597 6.309 ( 12.855 4.159 1.526) 13.597 6.409 ( 4.269 -0.472 5.621) 7.074 6.409 ( 4.269 0.472 5.621) 7.074 6.451 ( 5.505 -6.808 5.202) 10.184 6.451 ( 5.505 6.808 5.202) 10.184 6.746 ( 7.277 -4.264 -0.446) 8.447 6.746 ( 7.277 4.264 -0.446) 8.447 6.832 ( 0.291 -2.525 0.190) 2.549 6.832 ( 0.291 2.525 0.190) 2.549 7.051 ( 3.197 -3.055 -3.896) 5.893 7.051 ( 3.197 3.055 -3.896) 5.893 7.130 ( 4.887 -1.132 -4.518) 6.751 7.130 ( 4.887 1.132 -4.518) 6.751 7.214 ( 4.253 -3.423 -3.535) 6.503 7.214 ( 4.253 3.423 -3.535) 6.503 7.407 ( 4.766 -4.094 3.768) 7.326 7.407 ( 4.766 4.094 3.768) 7.326 7.672 ( 1.601 -7.798 -3.156) 8.563 7.672 ( 1.601 7.798 -3.156) 8.563 7.766 ( 4.207 -1.088 4.795) 6.471 7.766 ( 4.207 1.088 4.795) 6.471 7.925 ( 2.873 -4.574 2.156) 5.816 7.925 ( 2.873 4.574 2.156) 5.816 7.975 ( -0.801 -1.985 -3.875) 4.427 7.975 ( -0.801 1.985 -3.875) 4.427 8.106 ( 1.608 -3.007 1.807) 3.859 8.106 ( 1.608 3.007 1.807) 3.859 8.175 ( 4.284 -4.957 4.552) 7.978 8.175 ( 4.284 4.957 4.552) 7.978 8.357 ( 0.772 -5.417 0.484) 5.493 8.357 ( 0.772 5.417 0.484) 5.493 8.527 ( 0.589 -4.571 4.820) 6.669 8.527 ( 0.589 4.571 4.820) 6.669 8.617 ( 1.099 -1.295 -1.805) 2.478 8.617 ( 1.099 1.295 -1.805) 2.478 8.764 ( -2.413 -7.122 -6.986) 10.264 8.764 ( -2.413 7.122 -6.986) 10.264 8.949 ( -0.097 -6.331 -1.609) 6.533 8.949 ( -0.097 6.331 -1.609) 6.533 9.056 ( 0.039 -0.863 -0.483) 0.989 9.056 ( 0.039 0.863 -0.483) 0.989 9.150 ( -2.352 -2.807 2.363) 4.358 9.150 ( -2.352 2.807 2.363) 4.358 9.344 ( -2.864 -1.503 -2.271) 3.952 9.344 ( -2.864 1.503 -2.271) 3.952 9.537 ( -3.898 -2.651 -1.639) 4.991 9.537 ( -3.898 2.651 -1.639) 4.991 9.612 ( -2.978 -3.648 -1.210) 4.862 9.612 ( -2.978 3.648 -1.210) 4.862 9.831 ( -4.725 -5.160 2.343) 7.378 9.831 ( -4.725 5.160 2.343) 7.378 9.925 ( -3.082 -8.196 1.024) 8.816 9.925 ( -3.082 8.196 1.024) 8.816 10.159 ( -7.406 -5.549 -1.300) 9.345 10.159 ( -7.406 5.549 -1.300) 9.345 10.361 ( -4.577 -1.928 1.602) 5.218 10.361 ( -4.577 1.928 1.602) 5.218 10.690 ( -8.617 -6.928 2.130) 11.260 10.690 ( -8.617 6.928 2.130) 11.260 10.746 ( -7.681 -3.905 -3.344) 9.243 10.746 ( -7.681 3.905 -3.344) 9.243 11.154 ( -13.176 -4.391 -5.189) 14.826 11.154 ( -13.176 4.391 -5.189) 14.826 11.395 ( -5.379 -6.532 6.170) 10.472 11.395 ( -5.379 6.532 6.170) 10.472 11.637 ( -7.354 -13.104 -7.386) 16.744 11.637 ( -7.354 13.104 -7.386) 16.744 12.152 ( -2.010 -3.811 5.646) 7.102 12.152 ( -2.010 3.811 5.646) 7.102 12.465 ( 3.752 -2.523 -2.358) 5.099 12.465 ( 3.752 2.523 -2.358) 5.099 13.036 ( 5.512 -10.292 -1.511) 11.772 13.036 ( 5.512 10.292 -1.511) 11.772 14.146 ( -5.237 -3.292 0.008) 6.186 14.146 ( -5.237 3.292 0.008) 6.186 14.268 ( -5.814 -5.638 1.384) 8.216 14.268 ( -5.814 5.638 1.384) 8.216 14.762 ( -1.901 -4.746 1.020) 5.213 14.762 ( -1.901 4.746 1.020) 5.213 14.935 ( 0.074 -4.203 -4.164) 5.917 14.935 ( 0.074 4.203 -4.164) 5.917 16.242 ( 1.415 -2.576 2.034) 3.574 16.242 ( 1.415 2.576 2.034) 3.574 16.552 ( 6.728 -3.610 -6.216) 9.846 16.552 ( 6.728 3.610 -6.216) 9.846 16.960 ( 2.009 -0.647 -1.278) 2.468 16.960 ( 2.009 0.647 -1.278) 2.468 17.291 ( -1.991 -6.201 1.463) 6.675 17.291 ( -1.991 6.201 1.463) 6.675 17.459 ( 0.489 -2.335 2.110) 3.185 17.459 ( 0.489 2.335 2.110) 3.185 17.574 ( -1.772 -3.384 -1.378) 4.061 17.574 ( -1.772 3.384 -1.378) 4.061 17.645 ( 0.399 -3.021 3.838) 4.900 17.645 ( 0.399 3.021 3.838) 4.900 17.734 ( -3.203 -3.931 0.801) 5.133 17.734 ( -3.203 3.931 0.801) 5.133 17.862 ( -2.241 -1.193 0.655) 2.622 17.862 ( -2.241 1.193 0.655) 2.622 18.031 ( 1.512 -4.376 -4.625) 6.544 18.031 ( 1.512 4.376 -4.625) 6.544 18.321 ( -0.918 -4.945 -0.293) 5.038 18.321 ( -0.918 4.945 -0.293) 5.038 18.351 ( -1.903 -1.734 0.805) 2.697 18.351 ( -1.903 1.734 0.805) 2.697 18.685 ( -2.276 -4.758 2.934) 6.035 18.685 ( -2.276 4.758 2.934) 6.035 18.857 ( -1.590 -1.736 1.275) 2.677 18.857 ( -1.590 1.736 1.275) 2.677 20.411 ( 16.613 -0.265 -0.058) 16.615 20.411 ( 16.613 0.265 -0.058) 16.615 20.530 ( 21.343 -3.705 -3.050) 21.876 20.530 ( 21.343 3.705 -3.050) 21.876 20.556 ( 21.050 -3.180 2.150) 21.397 20.556 ( 21.050 3.180 2.150) 21.397 22.031 ( -6.154 -0.690 -1.259) 6.319 22.031 ( -6.154 0.690 -1.259) 6.319 22.058 ( -5.651 -1.132 -0.270) 5.770 22.058 ( -5.651 1.132 -0.270) 5.770 22.182 ( -2.525 -1.230 2.072) 3.490 22.182 ( -2.525 1.230 2.072) 3.490 27.044 ( -0.210 -0.656 0.973) 1.192 27.044 ( -0.210 0.656 0.973) 1.192 27.106 ( 0.218 -0.704 -0.504) 0.893 27.106 ( 0.218 0.704 -0.504) 0.893 27.610 ( -1.740 -0.823 2.303) 3.001 27.610 ( -1.740 0.823 2.303) 3.001 27.627 ( -1.881 -0.632 0.129) 1.989 27.627 ( -1.881 0.632 0.129) 1.989 27.808 ( 1.341 -0.051 -2.175) 2.556 27.808 ( 1.341 0.051 -2.175) 2.556 28.006 ( -2.313 -0.246 -0.283) 2.343 28.006 ( -2.313 0.246 -0.283) 2.343 36.682 ( 3.444 -0.545 -2.210) 4.128 36.682 ( 3.444 0.545 -2.210) 4.128 37.127 ( 1.771 -1.592 0.839) 2.524 37.127 ( 1.771 1.592 0.839) 2.524 37.332 ( 4.538 -1.459 -1.863) 5.118 37.332 ( 4.538 1.459 -1.863) 5.118 37.380 ( 5.210 -2.711 3.557) 6.866 37.380 ( 5.210 2.711 3.557) 6.866 37.714 ( 3.472 -1.053 0.619) 3.681 37.714 ( 3.472 1.053 0.619) 3.681 38.071 ( -4.280 -3.312 -0.229) 5.417 38.071 ( -4.280 3.312 -0.229) 5.417 38.226 ( 2.832 -3.049 1.236) 4.341 38.226 ( 2.832 3.049 1.236) 4.341 38.394 ( 1.337 -1.398 4.001) 4.444 38.394 ( 1.337 1.398 4.001) 4.444 38.627 ( -1.260 -2.736 -2.493) 3.910 38.627 ( -1.260 2.736 -2.493) 3.910 39.930 ( -26.190 -2.150 -4.800) 26.713 39.930 ( -26.190 2.150 -4.800) 26.713 40.088 ( -21.707 -1.429 1.611) 21.814 40.088 ( -21.707 1.429 1.611) 21.814 40.534 ( -23.553 -5.459 0.716) 24.188 40.534 ( -23.553 5.459 0.716) 24.188 ======================= Grid point 131 (72/96) ======================= q-point: ( 0.30 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 5.995 -3.095 -11.160) 13.041 1.873 ( 5.995 3.095 -11.160) 13.041 2.043 ( 5.546 -3.330 -9.027) 11.106 2.043 ( 5.546 3.330 -9.027) 11.106 2.328 ( 6.953 -4.072 4.323) 9.144 2.328 ( 6.953 4.072 4.323) 9.144 2.461 ( 6.614 -9.220 6.470) 13.062 2.461 ( 6.614 9.220 6.470) 13.062 2.638 ( 1.014 -3.468 -2.319) 4.294 2.638 ( 1.014 3.468 -2.319) 4.294 2.951 ( 1.654 -3.092 4.463) 5.676 2.951 ( 1.654 3.092 4.463) 5.676 3.183 ( -1.823 -4.442 -3.653) 6.033 3.183 ( -1.823 4.442 -3.653) 6.033 3.393 ( -5.560 -5.574 -4.082) 8.868 3.393 ( -5.560 5.574 -4.082) 8.868 3.508 ( -3.404 -2.468 -1.271) 4.393 3.508 ( -3.404 2.468 -1.271) 4.393 3.639 ( -4.131 -7.192 2.486) 8.659 3.639 ( -4.131 7.192 2.486) 8.659 3.953 ( 3.864 -4.250 0.896) 5.814 3.953 ( 3.864 4.250 0.896) 5.814 4.123 ( -4.116 -6.757 0.107) 7.913 4.123 ( -4.116 6.757 0.107) 7.913 4.340 ( 3.095 -8.432 5.565) 10.566 4.340 ( 3.095 8.432 5.565) 10.566 4.595 ( 7.277 -1.615 2.722) 7.936 4.595 ( 7.277 1.615 2.722) 7.936 4.724 ( 5.544 -3.772 0.413) 6.718 4.724 ( 5.544 3.772 0.413) 6.718 4.938 ( 1.037 -2.571 8.378) 8.825 4.938 ( 1.037 2.571 8.378) 8.825 5.082 ( 9.495 -4.719 0.318) 10.608 5.082 ( 9.495 4.719 0.318) 10.608 5.363 ( 6.612 -3.894 -11.757) 14.040 5.363 ( 6.612 3.894 -11.757) 14.040 5.479 ( 6.825 -6.918 -0.593) 9.736 5.479 ( 6.825 6.918 -0.593) 9.736 5.616 ( 0.455 -4.694 3.449) 5.842 5.616 ( 0.455 4.694 3.449) 5.842 5.893 ( 3.502 -4.971 -0.646) 6.115 5.893 ( 3.502 4.971 -0.646) 6.115 6.065 ( 2.535 -5.446 3.415) 6.911 6.065 ( 2.535 5.446 3.415) 6.911 6.116 ( 3.251 -2.816 -1.625) 4.598 6.116 ( 3.251 2.816 -1.625) 4.598 6.419 ( 0.581 -3.694 -3.147) 4.887 6.419 ( 0.581 3.694 -3.147) 4.887 6.557 ( 3.780 -3.933 9.499) 10.954 6.557 ( 3.780 3.933 9.499) 10.954 6.604 ( 7.082 -6.967 2.383) 10.216 6.604 ( 7.082 6.967 2.383) 10.216 6.786 ( -0.997 -4.965 0.858) 5.136 6.786 ( -0.997 4.965 0.858) 5.136 6.903 ( 6.513 -5.383 2.307) 8.759 6.903 ( 6.513 5.383 2.307) 8.759 7.122 ( 7.728 -5.513 -7.072) 11.838 7.122 ( 7.728 5.513 -7.072) 11.838 7.229 ( 9.504 -4.453 -3.767) 11.151 7.229 ( 9.504 4.453 -3.767) 11.151 7.314 ( 9.879 -2.354 1.987) 10.348 7.314 ( 9.879 2.354 1.987) 10.348 7.555 ( 8.801 -7.394 0.974) 11.536 7.555 ( 8.801 7.394 0.974) 11.536 7.681 ( 2.488 -5.976 -3.071) 7.164 7.681 ( 2.488 5.976 -3.071) 7.164 7.856 ( -1.449 -2.770 6.290) 7.024 7.856 ( -1.449 2.770 6.290) 7.024 7.874 ( 1.176 -3.150 -7.360) 8.091 7.874 ( 1.176 3.150 -7.360) 8.091 8.002 ( 0.003 -4.140 2.288) 4.730 8.002 ( 0.003 4.140 2.288) 4.730 8.171 ( 3.843 -3.336 1.192) 5.227 8.171 ( 3.843 3.336 1.192) 5.227 8.302 ( 4.592 -2.046 5.748) 7.636 8.302 ( 4.592 2.046 5.748) 7.636 8.425 ( 3.898 -1.758 2.523) 4.965 8.425 ( 3.898 1.758 2.523) 4.965 8.524 ( -0.323 -3.774 -0.978) 3.913 8.524 ( -0.323 3.774 -0.978) 3.913 8.615 ( -3.065 -2.578 0.920) 4.109 8.615 ( -3.065 2.578 0.920) 4.109 8.704 ( -0.990 -5.500 -0.323) 5.598 8.704 ( -0.990 5.500 -0.323) 5.598 8.933 ( 0.628 -5.602 0.594) 5.668 8.933 ( 0.628 5.602 0.594) 5.668 9.050 ( 1.321 -1.549 -3.081) 3.693 9.050 ( 1.321 1.549 -3.081) 3.693 9.135 ( -1.604 -2.915 2.572) 4.206 9.135 ( -1.604 2.915 2.572) 4.206 9.254 ( -5.613 -3.194 -1.934) 6.742 9.254 ( -5.613 3.194 -1.934) 6.742 9.438 ( -4.460 -1.739 -3.934) 6.197 9.438 ( -4.460 1.739 -3.934) 6.197 9.571 ( -2.976 -3.768 2.818) 5.567 9.571 ( -2.976 3.768 2.818) 5.567 9.770 ( -6.097 -5.239 5.071) 9.504 9.770 ( -6.097 5.239 5.071) 9.504 9.846 ( -3.827 -5.151 -2.334) 6.829 9.846 ( -3.827 5.151 -2.334) 6.829 9.993 ( -8.492 -4.338 -2.589) 9.881 9.993 ( -8.492 4.338 -2.589) 9.881 10.255 ( -8.264 -1.968 -0.429) 8.506 10.255 ( -8.264 1.968 -0.429) 8.506 10.535 ( -11.776 -2.014 -1.462) 12.036 10.535 ( -11.776 2.014 -1.462) 12.036 10.629 ( -2.634 -5.553 3.130) 6.897 10.629 ( -2.634 5.553 3.130) 6.897 10.881 ( -11.247 -2.277 -8.449) 14.250 10.881 ( -11.247 2.277 -8.449) 14.250 11.324 ( -6.852 -9.996 2.513) 12.376 11.324 ( -6.852 9.996 2.513) 12.376 11.485 ( -3.427 -8.805 -4.199) 10.339 11.485 ( -3.427 8.805 -4.199) 10.339 12.118 ( -4.122 -6.764 -0.821) 7.964 12.118 ( -4.122 6.764 -0.821) 7.964 12.557 ( 5.591 -1.686 3.230) 6.674 12.557 ( 5.591 1.686 3.230) 6.674 13.061 ( -0.055 -10.446 -2.053) 10.646 13.061 ( -0.055 10.446 -2.053) 10.646 14.095 ( -0.535 -2.144 -0.013) 2.210 14.095 ( -0.535 2.144 -0.013) 2.210 14.193 ( -5.376 -3.652 3.671) 7.464 14.193 ( -5.376 3.652 3.671) 7.464 14.736 ( -1.359 -4.626 -0.302) 4.831 14.736 ( -1.359 4.626 -0.302) 4.831 14.894 ( -0.546 -3.496 -5.173) 6.268 14.894 ( -0.546 3.496 -5.173) 6.268 16.295 ( 1.915 -1.617 3.829) 4.576 16.295 ( 1.915 1.617 3.829) 4.576 16.627 ( 5.873 -2.560 -4.004) 7.556 16.627 ( 5.873 2.560 -4.004) 7.556 16.990 ( 2.119 -1.616 -0.838) 2.793 16.990 ( 2.119 1.616 -0.838) 2.793 17.268 ( -0.569 -3.667 -1.291) 3.929 17.268 ( -0.569 3.667 -1.291) 3.929 17.478 ( 0.049 -1.699 1.245) 2.107 17.478 ( 0.049 1.699 1.245) 2.107 17.532 ( -1.270 -1.851 -2.072) 3.054 17.532 ( -1.270 1.851 -2.072) 3.054 17.665 ( -1.101 -5.042 1.782) 5.460 17.665 ( -1.101 5.042 1.782) 5.460 17.704 ( -1.647 -6.095 3.437) 7.188 17.704 ( -1.647 6.095 3.437) 7.188 17.840 ( -1.373 -0.689 3.120) 3.478 17.840 ( -1.373 0.689 3.120) 3.478 18.025 ( 1.519 -3.790 -4.207) 5.863 18.025 ( 1.519 3.790 -4.207) 5.863 18.292 ( -2.231 -5.921 -0.609) 6.357 18.292 ( -2.231 5.921 -0.609) 6.357 18.318 ( -1.168 -2.475 -1.768) 3.258 18.318 ( -1.168 2.475 -1.768) 3.258 18.674 ( -1.757 -4.892 3.277) 6.144 18.674 ( -1.757 4.892 3.277) 6.144 18.836 ( -1.220 -1.358 0.047) 1.826 18.836 ( -1.220 1.358 0.047) 1.826 20.732 ( 19.499 -0.673 0.055) 19.510 20.732 ( 19.499 0.673 0.055) 19.510 20.854 ( 20.703 -3.498 -7.077) 22.157 20.854 ( 20.703 3.498 -7.077) 22.157 20.995 ( 21.951 -5.730 8.928) 24.380 20.995 ( 21.951 5.730 8.928) 24.380 21.882 ( -9.709 -0.890 -1.606) 9.881 21.882 ( -9.709 0.890 -1.606) 9.881 21.926 ( -9.314 -2.020 -0.216) 9.533 21.926 ( -9.314 2.020 -0.216) 9.533 22.144 ( -3.793 -2.795 2.508) 5.337 22.144 ( -3.793 2.795 2.508) 5.337 27.045 ( -0.406 -0.332 0.947) 1.083 27.045 ( -0.406 0.332 0.947) 1.083 27.107 ( 0.446 -0.556 -0.853) 1.112 27.107 ( 0.446 0.556 -0.853) 1.112 27.592 ( -1.915 -0.676 1.610) 2.591 27.592 ( -1.915 0.676 1.610) 2.591 27.603 ( -1.087 -1.009 0.800) 1.685 27.603 ( -1.087 1.009 0.800) 1.685 27.817 ( 1.466 -0.239 -1.916) 2.424 27.817 ( 1.466 0.239 -1.916) 2.424 27.961 ( -2.308 -0.347 -0.688) 2.433 27.961 ( -2.308 0.347 -0.688) 2.433 36.734 ( 4.172 -0.114 -2.070) 4.658 36.734 ( 4.172 0.114 -2.070) 4.658 37.160 ( 1.096 -2.365 0.645) 2.685 37.160 ( 1.096 2.365 0.645) 2.685 37.379 ( 3.517 -1.332 -4.188) 5.629 37.379 ( 3.517 1.332 -4.188) 5.629 37.475 ( 2.183 -4.237 -1.319) 4.945 37.475 ( 2.183 4.237 -1.319) 4.945 37.796 ( 8.164 -1.638 -1.410) 8.445 37.796 ( 8.164 1.638 -1.410) 8.445 38.043 ( -2.266 -2.754 8.440) 9.163 38.043 ( -2.266 2.754 8.440) 9.163 38.264 ( 0.580 -5.118 0.946) 5.237 38.264 ( 0.580 5.118 0.946) 5.237 38.496 ( 7.661 -2.855 2.415) 8.525 38.496 ( 7.661 2.855 2.415) 8.525 38.607 ( -0.199 -5.332 0.577) 5.367 38.607 ( -0.199 5.332 0.577) 5.367 39.421 ( -24.850 -3.146 -8.447) 26.435 39.421 ( -24.850 3.146 -8.447) 26.435 39.674 ( -25.790 -3.708 2.468) 26.172 39.674 ( -25.790 3.708 2.468) 26.172 40.113 ( -23.588 -5.367 -1.830) 24.261 40.113 ( -23.588 5.367 -1.830) 24.261 ======================= Grid point 133 (73/96) ======================= q-point: ( 0.40 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 4.873 -4.386 -8.280) 10.562 1.901 ( 4.873 4.386 -8.280) 10.562 2.086 ( 6.330 -5.314 -4.203) 9.272 2.086 ( 6.330 5.314 -4.203) 9.272 2.364 ( -7.073 -3.997 -6.115) 10.169 2.364 ( -7.073 3.997 -6.115) 10.169 2.549 ( 4.542 -2.543 -0.085) 5.207 2.549 ( 4.542 2.543 -0.085) 5.207 2.634 ( 1.697 -6.423 0.777) 6.689 2.634 ( 1.697 6.423 0.777) 6.689 3.048 ( -5.963 -3.411 3.358) 7.647 3.048 ( -5.963 3.411 3.358) 7.647 3.113 ( 1.073 -6.592 -2.309) 7.066 3.113 ( 1.073 6.592 -2.309) 7.066 3.214 ( -3.506 -2.812 -3.512) 5.704 3.214 ( -3.506 2.812 -3.512) 5.704 3.463 ( -0.124 -1.237 1.922) 2.289 3.463 ( -0.124 1.237 1.922) 2.289 3.728 ( 4.838 -7.904 7.847) 12.143 3.728 ( 4.838 7.904 7.847) 12.143 3.997 ( -1.739 -1.699 -0.426) 2.468 3.997 ( -1.739 1.699 -0.426) 2.468 4.089 ( 4.027 -1.725 -0.783) 4.450 4.089 ( 4.027 1.725 -0.783) 4.450 4.393 ( -0.642 -4.866 1.319) 5.082 4.393 ( -0.642 4.866 1.319) 5.082 4.664 ( -1.677 -1.467 -1.008) 2.446 4.664 ( -1.677 1.467 -1.008) 2.446 4.842 ( 7.409 -4.857 3.244) 9.434 4.842 ( 7.409 4.857 3.244) 9.434 5.028 ( 1.262 -2.776 9.306) 9.793 5.028 ( 1.262 2.776 9.306) 9.793 5.199 ( 4.287 -3.260 -1.794) 5.677 5.199 ( 4.287 3.260 -1.793) 5.677 5.409 ( 4.797 -3.156 -6.396) 8.595 5.409 ( 4.797 3.156 -6.396) 8.595 5.584 ( 4.943 -4.675 1.569) 6.982 5.584 ( 4.943 4.675 1.569) 6.982 5.676 ( 4.959 -1.888 0.989) 5.398 5.676 ( 4.959 1.888 0.989) 5.398 5.908 ( -0.861 -4.156 0.620) 4.290 5.908 ( -0.861 4.156 0.620) 4.290 6.068 ( -2.773 -5.690 -0.775) 6.377 6.068 ( -2.773 5.690 -0.775) 6.377 6.204 ( 3.529 -5.359 2.218) 6.789 6.204 ( 3.529 5.359 2.218) 6.789 6.366 ( -1.680 -3.948 -1.585) 4.574 6.366 ( -1.680 3.948 -1.585) 4.574 6.607 ( -3.086 -7.705 2.285) 8.609 6.607 ( -3.086 7.705 2.285) 8.609 6.678 ( 1.676 -9.899 -0.239) 10.042 6.678 ( 1.676 9.899 -0.239) 10.042 6.809 ( 1.157 -4.371 6.916) 8.263 6.809 ( 1.157 4.371 6.916) 8.263 7.073 ( 8.957 -4.401 3.244) 10.494 7.073 ( 8.957 4.401 3.244) 10.494 7.183 ( 2.915 -1.938 -4.556) 5.745 7.183 ( 2.915 1.938 -4.556) 5.745 7.359 ( 10.753 -5.822 -5.810) 13.538 7.359 ( 10.753 5.822 -5.810) 13.538 7.544 ( 7.409 -4.561 0.519) 8.716 7.544 ( 7.409 4.561 0.519) 8.716 7.617 ( -1.721 -7.023 -2.745) 7.734 7.617 ( -1.721 7.023 -2.745) 7.734 7.755 ( 5.713 -4.907 -2.042) 7.803 7.755 ( 5.713 4.907 -2.042) 7.803 7.823 ( 4.979 -3.586 0.748) 6.181 7.823 ( 4.979 3.586 0.748) 6.181 7.915 ( -0.344 -1.069 1.371) 1.772 7.915 ( -0.344 1.069 1.371) 1.772 8.005 ( 0.490 -0.957 2.075) 2.337 8.005 ( 0.490 0.957 2.075) 2.337 8.248 ( 3.402 -1.569 0.929) 3.860 8.248 ( 3.402 1.569 0.929) 3.860 8.351 ( -1.416 -3.688 -2.951) 4.932 8.351 ( -1.416 3.688 -2.951) 4.932 8.437 ( -2.466 -1.682 -0.020) 2.985 8.437 ( -2.466 1.682 -0.020) 2.985 8.527 ( 2.595 -2.814 0.858) 3.923 8.527 ( 2.595 2.814 0.858) 3.923 8.624 ( 0.801 -3.830 3.125) 5.008 8.624 ( 0.801 3.830 3.125) 5.008 8.712 ( 1.073 -4.225 6.003) 7.418 8.712 ( 1.073 4.225 6.003) 7.418 8.983 ( 2.173 -3.015 0.877) 3.819 8.983 ( 2.173 3.015 0.877) 3.819 9.038 ( -4.522 -2.712 -1.733) 5.550 9.038 ( -4.522 2.712 -1.733) 5.550 9.116 ( -1.321 -4.580 0.679) 4.815 9.116 ( -1.321 4.580 0.679) 4.815 9.173 ( -0.321 -3.253 1.541) 3.614 9.173 ( -0.321 3.253 1.541) 3.614 9.369 ( 0.078 -2.085 -1.000) 2.314 9.369 ( 0.078 2.085 -1.000) 2.314 9.513 ( -5.131 -4.570 0.576) 6.895 9.513 ( -5.131 4.570 0.576) 6.895 9.629 ( -9.061 -2.707 0.804) 9.491 9.629 ( -9.061 2.707 0.804) 9.491 9.853 ( -2.064 -1.832 3.299) 4.301 9.853 ( -2.064 1.832 3.299) 4.301 9.884 ( 2.049 -4.199 -0.504) 4.699 9.884 ( 2.049 4.199 -0.504) 4.699 10.102 ( -5.308 -1.582 -3.804) 6.720 10.102 ( -5.308 1.582 -3.804) 6.720 10.283 ( -14.089 -1.756 -3.154) 14.544 10.283 ( -14.089 1.756 -3.154) 14.544 10.639 ( -3.465 -6.207 -1.677) 7.304 10.639 ( -3.465 6.207 -1.677) 7.304 10.679 ( -1.760 -2.588 -2.316) 3.893 10.679 ( -1.760 2.588 -2.316) 3.893 11.213 ( -3.254 -10.818 -5.753) 12.677 11.213 ( -3.254 10.818 -5.753) 12.677 11.453 ( -0.817 -6.779 3.634) 7.735 11.453 ( -0.817 6.779 3.634) 7.735 12.002 ( -6.117 -5.284 -5.079) 9.547 12.002 ( -6.117 5.284 -5.079) 9.547 12.686 ( 4.915 -1.543 5.813) 7.768 12.686 ( 4.915 1.543 5.813) 7.768 13.041 ( -0.454 -8.542 -0.943) 8.606 13.041 ( -0.454 8.542 -0.943) 8.606 14.096 ( -1.419 -4.576 -0.154) 4.793 14.096 ( -1.419 4.576 -0.154) 4.793 14.144 ( -1.586 -4.501 3.341) 5.826 14.144 ( -1.586 4.501 3.341) 5.826 14.708 ( -1.415 -2.884 -1.012) 3.368 14.708 ( -1.415 2.884 -1.012) 3.368 14.851 ( 0.572 -2.182 -5.725) 6.153 14.851 ( 0.572 2.182 -5.725) 6.153 16.360 ( 1.245 -0.825 5.650) 5.844 16.360 ( 1.245 0.825 5.650) 5.844 16.689 ( 4.117 -1.343 -3.367) 5.486 16.689 ( 4.117 1.343 -3.367) 5.486 17.018 ( 1.678 -1.995 -0.696) 2.698 17.018 ( 1.678 1.995 -0.696) 2.698 17.250 ( 0.817 -1.515 -4.568) 4.881 17.250 ( 0.817 1.515 -4.568) 4.881 17.476 ( -1.415 -1.515 1.610) 2.625 17.476 ( -1.415 1.515 1.610) 2.625 17.506 ( 0.331 -1.022 -2.076) 2.338 17.506 ( 0.331 1.022 -2.076) 2.338 17.641 ( -3.350 -2.299 2.778) 4.922 17.641 ( -3.350 2.299 2.778) 4.922 17.718 ( 0.821 -1.578 2.364) 2.958 17.718 ( 0.821 1.578 2.364) 2.958 17.864 ( 0.157 -0.073 5.597) 5.599 17.864 ( 0.157 0.073 5.597) 5.599 18.023 ( 1.410 -3.769 -3.290) 5.197 18.023 ( 1.410 3.769 -3.290) 5.197 18.235 ( -3.248 -4.106 -1.347) 5.406 18.235 ( -3.248 4.106 -1.347) 5.406 18.287 ( -0.082 -1.670 -3.685) 4.046 18.287 ( -0.082 1.670 -3.685) 4.046 18.669 ( -1.798 -4.686 3.625) 6.192 18.669 ( -1.798 4.686 3.625) 6.192 18.817 ( -0.742 -1.110 -0.578) 1.455 18.817 ( -0.742 1.110 -0.578) 1.455 21.075 ( 19.042 -1.233 0.232) 19.084 21.075 ( 19.042 1.233 0.232) 19.084 21.150 ( 18.283 -2.405 -5.579) 19.265 21.150 ( 18.283 2.405 -5.579) 19.265 21.402 ( 15.015 -6.097 7.896) 18.027 21.402 ( 15.015 6.097 7.896) 18.027 21.672 ( -12.419 -1.437 -1.424) 12.583 21.672 ( -12.419 1.437 -1.424) 12.583 21.738 ( -11.145 -2.534 0.752) 11.455 21.738 ( -11.145 2.534 0.752) 11.455 22.083 ( -5.311 -5.335 2.262) 7.860 22.083 ( -5.311 5.335 2.262) 7.860 27.045 ( -0.543 -0.212 1.113) 1.256 27.045 ( -0.543 0.212 1.113) 1.256 27.109 ( 0.603 -0.197 -1.191) 1.350 27.109 ( 0.603 0.197 -1.191) 1.350 27.574 ( -1.360 -0.311 1.543) 2.081 27.574 ( -1.360 0.311 1.543) 2.081 27.596 ( -0.500 -0.903 0.951) 1.403 27.596 ( -0.500 0.903 0.951) 1.403 27.831 ( 1.604 -0.221 -1.421) 2.154 27.831 ( 1.604 0.221 -1.421) 2.154 27.917 ( -1.788 -0.439 -1.151) 2.171 27.917 ( -1.788 0.439 -1.151) 2.171 36.797 ( 4.423 -0.201 -1.012) 4.542 36.797 ( 4.423 0.201 -1.012) 4.542 37.162 ( -1.242 -2.704 -0.607) 3.037 37.162 ( -1.242 2.704 -0.607) 3.037 37.382 ( 0.177 -1.874 -4.953) 5.299 37.382 ( 0.177 1.874 -4.953) 5.299 37.437 ( -1.292 -5.707 -6.895) 9.043 37.437 ( -1.292 5.707 -6.895) 9.043 37.965 ( 6.256 -2.736 6.920) 9.722 37.965 ( 6.256 2.736 6.920) 9.722 38.091 ( 0.889 -6.208 6.003) 8.681 38.091 ( 0.889 6.208 6.003) 8.681 38.304 ( 4.207 -7.860 0.800) 8.951 38.304 ( 4.207 7.860 0.800) 8.951 38.605 ( 0.720 -1.986 1.489) 2.584 38.605 ( 0.720 1.986 1.489) 2.584 38.679 ( 7.240 -5.618 2.501) 9.499 38.679 ( 7.240 5.618 2.501) 9.499 39.020 ( -10.090 -6.154 -8.570) 14.599 39.020 ( -10.090 6.154 -8.570) 14.599 39.267 ( -21.314 -3.798 2.293) 21.771 39.267 ( -21.314 3.798 2.293) 21.771 39.697 ( -20.510 -4.195 -4.596) 21.434 39.697 ( -20.510 4.195 -4.596) 21.434 ======================= Grid point 135 (74/96) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 1.689 -5.977 -3.443) 7.101 1.921 ( 1.689 5.977 -3.443) 7.101 2.051 ( -10.335 -3.233 -5.634) 12.207 2.051 ( -10.335 3.233 -5.634) 12.207 2.278 ( 6.087 -7.283 -0.346) 9.498 2.278 ( 6.087 7.283 -0.346) 9.498 2.540 ( -4.434 -1.806 -8.128) 9.433 2.540 ( -4.434 1.806 -8.128) 9.433 2.660 ( 2.537 -6.392 -0.967) 6.945 2.660 ( 2.537 6.392 -0.967) 6.945 2.893 ( -7.154 -4.594 4.927) 9.827 2.893 ( -7.154 4.594 4.927) 9.827 3.099 ( -4.342 -3.765 2.623) 6.317 3.099 ( -4.342 3.765 2.623) 6.317 3.246 ( 6.442 -5.499 -5.103) 9.889 3.246 ( 6.442 5.499 -5.103) 9.889 3.549 ( 3.969 -1.495 6.390) 7.670 3.549 ( 3.969 1.495 6.390) 7.670 3.838 ( 2.149 -6.466 5.517) 8.767 3.838 ( 2.149 6.466 5.517) 8.767 3.944 ( -2.876 -1.236 -2.581) 4.057 3.944 ( -2.876 1.236 -2.581) 4.057 4.183 ( 5.919 -2.074 -3.107) 6.999 4.183 ( 5.919 2.074 -3.107) 6.999 4.379 ( -0.709 -1.714 3.357) 3.835 4.379 ( -0.709 1.714 3.357) 3.835 4.564 ( -5.811 -3.357 -4.520) 8.091 4.564 ( -5.811 3.357 -4.520) 8.091 4.966 ( 1.264 -2.900 5.893) 6.689 4.966 ( 1.264 2.900 5.893) 6.689 5.104 ( 0.278 -0.466 6.903) 6.925 5.104 ( 0.278 0.466 6.903) 6.925 5.228 ( 1.066 -2.379 -2.768) 3.803 5.228 ( 1.066 2.379 -2.768) 3.803 5.397 ( 0.159 -0.624 -5.412) 5.450 5.397 ( 0.159 0.624 -5.412) 5.450 5.687 ( 2.569 -3.827 1.004) 4.717 5.687 ( 2.569 3.827 1.004) 4.717 5.742 ( 1.546 -5.798 -0.811) 6.055 5.742 ( 1.546 5.798 -0.811) 6.055 5.908 ( -2.043 -0.634 2.140) 3.026 5.908 ( -2.043 0.634 2.140) 3.026 5.997 ( -2.080 -3.389 4.019) 5.653 5.997 ( -2.080 3.389 4.019) 5.653 6.166 ( -5.182 -8.162 -1.696) 9.815 6.166 ( -5.182 8.162 -1.696) 9.815 6.432 ( 4.611 -1.919 4.286) 6.582 6.432 ( 4.611 1.919 4.286) 6.582 6.545 ( -4.063 -6.211 0.568) 7.443 6.545 ( -4.063 6.211 0.568) 7.443 6.698 ( 2.074 -5.991 0.107) 6.340 6.698 ( 2.074 5.991 0.107) 6.340 6.908 ( 3.583 -3.411 4.788) 6.885 6.908 ( 3.583 3.411 4.788) 6.885 7.151 ( -2.678 -4.112 -4.554) 6.695 7.151 ( -2.678 4.112 -4.554) 6.695 7.204 ( 1.961 -5.211 3.950) 6.826 7.204 ( 1.961 5.211 3.950) 6.826 7.410 ( -4.066 -1.577 -5.210) 6.794 7.410 ( -4.066 1.577 -5.210) 6.794 7.478 ( -3.598 -3.916 -2.811) 6.015 7.478 ( -3.598 3.916 -2.811) 6.015 7.624 ( -0.809 -4.014 -0.797) 4.171 7.624 ( -0.809 4.014 -0.797) 4.171 7.780 ( -1.962 -1.923 2.425) 3.664 7.780 ( -1.962 1.923 2.425) 3.664 7.816 ( -7.457 -3.304 0.872) 8.202 7.816 ( -7.457 3.304 0.872) 8.202 7.998 ( 7.784 -1.119 -4.034) 8.839 7.998 ( 7.784 1.119 -4.034) 8.839 8.097 ( 8.084 -2.787 -1.896) 8.759 8.097 ( 8.084 2.787 -1.896) 8.759 8.255 ( -1.483 -3.099 -0.702) 3.507 8.255 ( -1.483 3.099 -0.702) 3.507 8.328 ( -2.421 -2.370 3.584) 4.932 8.328 ( -2.421 2.370 3.584) 4.932 8.431 ( 5.918 -2.960 -0.590) 6.643 8.431 ( 5.918 2.960 -0.590) 6.643 8.600 ( 0.860 -4.876 1.519) 5.179 8.600 ( 0.860 4.876 1.519) 5.179 8.654 ( 1.554 -3.333 -0.056) 3.678 8.654 ( 1.554 3.333 -0.056) 3.678 8.770 ( -0.749 -2.681 6.084) 6.690 8.770 ( -0.749 2.681 6.084) 6.690 8.871 ( -8.311 -1.948 -0.070) 8.536 8.871 ( -8.311 1.948 -0.070) 8.536 9.031 ( 2.030 -4.314 -3.092) 5.683 9.031 ( 2.030 4.314 -3.092) 5.683 9.123 ( 1.354 -3.657 2.647) 4.713 9.123 ( 1.354 3.657 2.647) 4.713 9.195 ( 0.956 -0.277 0.707) 1.220 9.195 ( 0.956 0.277 0.707) 1.220 9.388 ( 1.254 -5.644 1.152) 5.895 9.388 ( 1.254 5.644 1.152) 5.895 9.446 ( -1.881 -6.294 -0.555) 6.592 9.446 ( -1.881 6.294 -0.555) 6.592 9.603 ( 3.742 -2.442 4.374) 6.253 9.603 ( 3.742 2.442 4.374) 6.253 9.790 ( -2.019 -3.457 -2.939) 4.966 9.790 ( -2.019 3.457 -2.939) 4.966 9.976 ( -3.555 -0.862 5.958) 6.991 9.976 ( -3.555 0.862 5.958) 6.991 10.048 ( -2.261 -3.053 -2.523) 4.560 10.048 ( -2.261 3.053 -2.523) 4.560 10.099 ( 7.488 -1.918 -4.521) 8.955 10.099 ( 7.488 1.918 -4.521) 8.955 10.514 ( -0.904 -4.370 -9.997) 10.948 10.514 ( -0.904 4.370 -9.997) 10.948 10.723 ( 0.444 -5.460 5.361) 7.665 10.723 ( 0.444 5.460 5.361) 7.665 11.139 ( 0.522 -8.994 -8.442) 12.346 11.139 ( 0.522 8.994 -8.442) 12.346 11.502 ( 2.182 -4.806 6.556) 8.417 11.502 ( 2.182 4.806 6.556) 8.417 11.858 ( -4.417 -2.345 -6.343) 8.078 11.858 ( -4.417 2.345 -6.343) 8.078 12.798 ( 1.780 -0.480 6.842) 7.086 12.798 ( 1.780 0.480 6.842) 7.086 13.031 ( 0.408 -5.248 -2.142) 5.683 13.031 ( 0.408 5.248 -2.142) 5.683 14.042 ( -3.921 -4.133 1.737) 5.956 14.042 ( -3.921 4.133 1.737) 5.956 14.182 ( 2.868 -6.426 0.938) 7.099 14.182 ( 2.868 6.426 0.938) 7.099 14.674 ( -1.516 -1.975 -0.433) 2.527 14.674 ( -1.516 1.975 -0.433) 2.527 14.833 ( 2.248 -2.404 -6.186) 7.007 14.833 ( 2.248 2.404 -6.186) 7.007 16.418 ( -0.050 -0.690 7.189) 7.222 16.418 ( -0.050 0.690 7.189) 7.222 16.715 ( 2.113 -0.714 -4.525) 5.045 16.715 ( 2.113 0.714 -4.525) 5.045 17.037 ( 0.990 -1.953 -0.625) 2.277 17.037 ( 0.990 1.953 -0.625) 2.277 17.225 ( 1.299 -1.453 -7.233) 7.491 17.225 ( 1.299 1.453 -7.233) 7.491 17.454 ( -2.295 -1.796 1.488) 3.273 17.454 ( -2.295 1.796 1.488) 3.273 17.516 ( 1.923 -0.469 -1.411) 2.431 17.516 ( 1.923 0.469 -1.411) 2.431 17.604 ( -3.522 -2.597 4.755) 6.462 17.604 ( -3.522 2.597 4.755) 6.462 17.759 ( 1.729 -3.308 1.631) 4.073 17.759 ( 1.729 3.308 1.631) 4.073 17.916 ( 0.814 -1.153 5.551) 5.728 17.916 ( 0.814 1.153 5.551) 5.728 18.028 ( 1.171 -3.155 -1.367) 3.632 18.028 ( 1.171 3.155 -1.367) 3.632 18.164 ( -3.246 -3.076 -2.058) 4.923 18.164 ( -3.246 3.076 -2.058) 4.923 18.262 ( 0.807 -1.094 -4.601) 4.797 18.262 ( 0.806 1.094 -4.601) 4.797 18.663 ( -2.071 -4.162 3.952) 6.102 18.663 ( -2.071 4.162 3.952) 6.102 18.803 ( -0.395 -1.217 -0.564) 1.398 18.803 ( -0.395 1.217 -0.564) 1.398 21.342 ( -4.818 -0.775 -0.166) 4.883 21.342 ( -4.818 0.775 -0.166) 4.883 21.365 ( -6.621 -0.663 -1.255) 6.771 21.365 ( -6.621 0.663 -1.255) 6.771 21.395 ( 8.336 -1.585 0.736) 8.518 21.395 ( 8.336 1.585 0.736) 8.518 21.499 ( 2.588 -1.196 -4.296) 5.156 21.499 ( 2.588 1.196 -4.296) 5.156 21.790 ( 9.783 -5.149 7.092) 13.134 21.790 ( 9.783 5.149 7.092) 13.134 21.992 ( -6.128 -8.254 0.941) 10.324 21.992 ( -6.128 8.254 0.941) 10.324 27.043 ( -0.645 -0.326 1.281) 1.471 27.043 ( -0.645 0.326 1.281) 1.471 27.110 ( 0.592 -0.189 -1.350) 1.486 27.110 ( 0.592 0.189 -1.350) 1.486 27.567 ( -0.863 -0.229 1.813) 2.021 27.567 ( -0.863 0.229 1.813) 2.021 27.598 ( 0.019 -0.833 0.656) 1.061 27.598 ( 0.019 0.833 0.656) 1.061 27.850 ( 1.115 -0.369 -0.872) 1.463 27.850 ( 1.115 0.369 -0.872) 1.463 27.885 ( -0.433 -0.464 -1.553) 1.678 27.885 ( -0.433 0.464 -1.553) 1.678 36.874 ( 4.032 -0.304 1.509) 4.316 36.874 ( 4.032 0.304 1.509) 4.316 37.102 ( -3.702 -1.783 -4.201) 5.876 37.102 ( -3.702 1.783 -4.201) 5.876 37.301 ( -3.377 -1.466 -5.602) 6.704 37.301 ( -3.377 1.466 -5.602) 6.704 37.377 ( -1.980 -1.367 -2.669) 3.594 37.377 ( -1.980 1.367 -2.669) 3.594 38.015 ( -7.637 -6.509 8.955) 13.449 38.015 ( -7.637 6.509 8.955) 13.449 38.191 ( 7.987 -2.207 1.468) 8.415 38.191 ( 7.987 2.207 1.468) 8.415 38.387 ( 1.304 -12.530 2.572) 12.857 38.387 ( 1.304 12.530 2.572) 12.857 38.599 ( -1.951 -7.156 -1.299) 7.530 38.599 ( -1.951 7.156 -1.299) 7.530 38.714 ( -5.650 -1.097 3.600) 6.789 38.714 ( -5.650 1.097 3.600) 6.789 38.985 ( 3.938 -0.541 -3.750) 5.465 38.985 ( 3.938 0.541 -3.750) 5.465 39.107 ( 6.388 -2.793 1.957) 7.242 39.107 ( 6.388 2.793 1.957) 7.242 39.387 ( -5.288 -3.846 -7.323) 9.817 39.387 ( -5.288 3.846 -7.323) 9.817 ======================= Grid point 137 (75/96) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( -14.377 -2.078 -0.439) 14.533 1.755 ( -14.377 2.078 -0.439) 14.533 1.948 ( -4.691 -5.899 -0.446) 7.550 1.948 ( -4.691 5.899 -0.446) 7.550 2.304 ( -3.051 -4.084 1.715) 5.379 2.304 ( -3.051 4.084 1.715) 5.379 2.470 ( 3.741 -1.180 -4.112) 5.683 2.470 ( 3.741 1.180 -4.112) 5.683 2.688 ( 3.119 -2.813 -3.733) 5.619 2.688 ( 3.119 2.813 -3.733) 5.619 2.913 ( 2.877 -1.956 8.454) 9.142 2.913 ( 2.877 1.956 8.454) 9.142 3.026 ( -4.541 -5.223 0.210) 6.924 3.026 ( -4.541 5.223 0.210) 6.924 3.310 ( 4.324 -5.781 -5.261) 8.933 3.310 ( 4.324 5.781 -5.261) 8.933 3.602 ( -3.262 -5.932 3.186) 7.481 3.602 ( -3.262 5.932 3.186) 7.481 3.811 ( -8.419 -2.212 -0.948) 8.756 3.811 ( -8.419 2.212 -0.948) 8.756 3.944 ( 5.016 -3.605 1.814) 6.438 3.944 ( 5.016 3.605 1.814) 6.438 4.207 ( 0.387 -3.816 -3.967) 5.518 4.207 ( 0.387 3.816 -3.967) 5.518 4.375 ( -3.146 -5.441 -0.997) 6.364 4.375 ( -3.146 5.441 -0.997) 6.364 4.527 ( 4.636 -2.556 2.916) 6.044 4.527 ( 4.636 2.556 2.916) 6.044 4.964 ( -4.977 -1.292 4.069) 6.557 4.964 ( -4.977 1.292 4.069) 6.557 5.114 ( -4.800 -1.653 3.609) 6.229 5.114 ( -4.800 1.653 3.609) 6.229 5.171 ( -3.944 -3.567 -5.736) 7.821 5.171 ( -3.944 3.567 -5.736) 7.821 5.384 ( -0.296 -3.192 1.486) 3.534 5.384 ( -0.296 3.192 1.486) 3.534 5.626 ( -5.632 -5.215 -2.714) 8.141 5.626 ( -5.632 5.215 -2.714) 8.141 5.671 ( -5.893 -2.998 -4.168) 7.816 5.671 ( -5.893 2.998 -4.168) 7.816 5.943 ( 1.065 -0.728 5.730) 5.873 5.943 ( 1.065 0.728 5.730) 5.873 6.017 ( -2.062 -3.885 -2.477) 5.047 6.017 ( -2.062 3.885 -2.477) 5.047 6.124 ( 0.996 -5.538 9.142) 10.735 6.124 ( 0.996 5.538 9.142) 10.735 6.473 ( -1.418 -3.556 -5.592) 6.776 6.473 ( -1.418 3.556 -5.592) 6.776 6.520 ( -1.066 -1.819 8.465) 8.724 6.520 ( -1.066 1.819 8.465) 8.724 6.755 ( 2.904 -3.043 -0.613) 4.251 6.755 ( 2.904 3.043 -0.613) 4.251 6.951 ( -1.607 -4.337 -0.512) 4.653 6.951 ( -1.607 4.337 -0.512) 4.653 7.021 ( -8.423 -3.002 -0.206) 8.945 7.021 ( -8.423 3.002 -0.206) 8.945 7.200 ( -4.214 -1.006 -1.068) 4.462 7.200 ( -4.214 1.006 -1.068) 4.462 7.248 ( -10.716 -2.380 2.623) 11.287 7.248 ( -10.716 2.380 2.623) 11.287 7.400 ( -1.893 -6.141 -5.329) 8.349 7.400 ( -1.893 6.141 -5.329) 8.349 7.564 ( -5.563 -2.192 2.205) 6.373 7.564 ( -5.563 2.192 2.205) 6.373 7.663 ( -7.953 -0.317 3.112) 8.546 7.663 ( -7.953 0.317 3.112) 8.546 7.759 ( -2.080 -3.620 0.676) 4.229 7.759 ( -2.080 3.620 0.676) 4.229 8.046 ( -2.249 -2.466 -1.248) 3.563 8.046 ( -2.249 2.466 -1.248) 3.563 8.145 ( -0.924 -1.458 -0.072) 1.728 8.145 ( -0.924 1.458 -0.072) 1.728 8.280 ( 2.138 -2.132 -2.948) 4.220 8.280 ( 2.138 2.132 -2.948) 4.220 8.324 ( 1.992 -7.152 3.452) 8.188 8.324 ( 1.992 7.152 3.452) 8.188 8.457 ( -3.141 -4.762 -5.087) 7.644 8.457 ( -3.141 4.762 -5.087) 7.644 8.581 ( -2.153 -1.315 -2.376) 3.466 8.581 ( -2.153 1.315 -2.376) 3.466 8.652 ( -0.114 -2.092 0.242) 2.109 8.652 ( -0.114 2.092 0.242) 2.109 8.810 ( 0.794 -2.602 3.654) 4.555 8.810 ( 0.794 2.602 3.654) 4.555 8.855 ( 6.616 -6.344 2.650) 9.542 8.855 ( 6.616 6.344 2.650) 9.542 9.010 ( -0.841 -0.650 -2.836) 3.028 9.010 ( -0.841 0.650 -2.836) 3.028 9.181 ( 1.992 -3.797 2.106) 4.777 9.181 ( 1.992 3.797 2.106) 4.777 9.276 ( 5.993 -2.529 0.957) 6.574 9.276 ( 5.993 2.529 0.957) 6.574 9.382 ( -1.154 -2.821 1.898) 3.591 9.382 ( -1.154 2.821 1.898) 3.591 9.500 ( 6.322 -3.788 -1.686) 7.561 9.500 ( 6.322 3.788 -1.686) 7.561 9.702 ( -0.826 -1.858 3.351) 3.920 9.702 ( -0.826 1.858 3.351) 3.920 9.753 ( 4.624 -1.966 -1.867) 5.360 9.753 ( 4.624 1.966 -1.867) 5.360 9.929 ( 4.145 -1.037 -2.905) 5.167 9.929 ( 4.145 1.037 -2.905) 5.167 10.084 ( 1.474 -3.574 1.941) 4.326 10.084 ( 1.474 3.574 1.941) 4.326 10.280 ( 11.323 -3.981 -0.190) 12.004 10.280 ( 11.323 3.981 -0.190) 12.004 10.509 ( 8.857 -4.020 -9.142) 13.348 10.509 ( 8.857 4.020 -9.142) 13.348 10.767 ( 0.801 -6.773 6.162) 9.191 10.767 ( 0.801 6.773 6.162) 9.191 11.100 ( 2.123 -7.743 -7.816) 11.205 11.100 ( 2.123 7.743 -7.816) 11.205 11.599 ( 2.660 -1.856 2.306) 3.979 11.599 ( 2.659 1.856 2.306) 3.979 11.803 ( 3.193 -2.932 -0.246) 4.342 11.803 ( 3.193 2.932 -0.246) 4.342 12.825 ( -3.519 -3.834 3.509) 6.276 12.825 ( -3.519 3.834 3.509) 6.276 13.017 ( -0.063 -4.030 -2.655) 4.827 13.017 ( -0.063 4.030 -2.655) 4.827 14.009 ( -1.074 -1.734 2.098) 2.926 14.009 ( -1.074 1.734 2.098) 2.926 14.248 ( 4.146 -6.969 0.545) 8.127 14.248 ( 4.146 6.969 0.545) 8.127 14.659 ( -0.603 -2.049 1.555) 2.642 14.659 ( -0.603 2.049 1.555) 2.642 14.831 ( 2.920 -2.013 -6.728) 7.605 14.831 ( 2.920 2.013 -6.728) 7.605 16.461 ( -1.525 -1.016 7.888) 8.098 16.461 ( -1.525 1.016 7.888) 8.098 16.696 ( 0.584 -0.607 -6.896) 6.947 16.696 ( 0.584 0.607 -6.896) 6.947 17.042 ( 0.205 -2.147 -0.720) 2.274 17.042 ( 0.205 2.147 -0.720) 2.274 17.189 ( 1.105 -0.738 -8.003) 8.113 17.189 ( 1.105 0.738 -8.003) 8.113 17.421 ( -2.174 -1.933 0.441) 2.942 17.421 ( -2.174 1.933 0.441) 2.942 17.537 ( 0.274 -1.011 1.472) 1.807 17.537 ( 0.274 1.011 1.472) 1.807 17.606 ( -0.391 -1.839 5.276) 5.601 17.606 ( -0.391 1.839 5.276) 5.601 17.793 ( 1.163 -3.500 0.186) 3.693 17.793 ( 1.163 3.500 0.186) 3.693 17.965 ( 1.395 -3.405 1.264) 3.891 17.965 ( 1.395 3.405 1.264) 3.891 18.045 ( 0.455 -0.841 2.301) 2.492 18.045 ( 0.455 0.841 2.301) 2.492 18.102 ( -2.050 -1.445 -0.989) 2.696 18.102 ( -2.050 1.445 -0.989) 2.696 18.250 ( 1.650 -1.430 -4.195) 4.729 18.250 ( 1.650 1.430 -4.195) 4.729 18.657 ( -2.111 -3.552 4.384) 6.024 18.657 ( -2.111 3.552 4.384) 6.024 18.795 ( -0.163 -1.889 -0.150) 1.902 18.795 ( -0.163 1.889 -0.150) 1.902 21.047 ( -18.997 -0.720 -0.002) 19.011 21.047 ( -18.997 0.720 -0.002) 19.011 21.085 ( -19.252 -2.788 -0.109) 19.453 21.085 ( -19.252 2.788 -0.109) 19.453 21.571 ( 1.709 -6.609 -0.111) 6.827 21.571 ( 1.709 6.609 -0.111) 6.827 21.680 ( 12.994 -0.509 -2.620) 13.265 21.680 ( 12.994 0.509 -2.620) 13.265 21.865 ( -0.294 -6.180 -2.315) 6.606 21.865 ( -0.294 6.180 -2.315) 6.606 22.018 ( 6.427 -3.375 4.701) 8.648 22.018 ( 6.427 3.375 4.701) 8.648 27.040 ( -0.778 -0.289 1.299) 1.541 27.040 ( -0.778 0.289 1.299) 1.541 27.109 ( 0.478 -0.342 -1.259) 1.389 27.109 ( 0.478 0.342 -1.259) 1.389 27.570 ( -0.481 -0.639 1.954) 2.111 27.570 ( -0.481 0.639 1.954) 2.111 27.606 ( 0.430 -0.649 0.360) 0.858 27.606 ( 0.430 0.649 0.360) 0.858 27.840 ( -0.604 -0.274 -1.544) 1.680 27.840 ( -0.604 0.274 -1.544) 1.680 27.897 ( 2.195 -0.104 -0.693) 2.304 27.897 ( 2.195 0.104 -0.693) 2.304 36.934 ( -2.144 -1.306 -0.564) 2.573 36.934 ( -2.144 1.306 -0.564) 2.573 37.002 ( 0.237 -1.447 -1.986) 2.468 37.002 ( 0.237 1.447 -1.986) 2.468 37.230 ( -2.083 -1.798 -0.498) 2.796 37.230 ( -2.083 1.798 -0.498) 2.796 37.313 ( -4.236 -0.529 0.522) 4.301 37.313 ( -4.236 0.529 0.522) 4.301 37.909 ( -9.789 -5.134 6.430) 12.788 37.909 ( -9.789 5.134 6.430) 12.788 38.244 ( -10.383 -7.316 1.823) 12.832 38.244 ( -10.383 7.316 1.823) 12.832 38.413 ( 7.703 -10.312 -0.659) 12.888 38.413 ( 7.703 10.312 -0.659) 12.888 38.533 ( -3.781 -1.740 2.210) 4.713 38.533 ( -3.781 1.740 2.210) 4.713 38.728 ( 5.919 -12.378 0.271) 13.723 38.728 ( 5.919 12.378 0.271) 13.723 38.913 ( -4.568 -6.569 -3.202) 8.618 38.913 ( -4.568 6.569 -3.202) 8.618 39.386 ( 21.705 -5.757 -2.310) 22.574 39.386 ( 21.705 5.757 -2.310) 22.574 39.538 ( 20.906 -4.429 -0.469) 21.375 39.538 ( 20.906 4.429 -0.469) 21.375 ======================= Grid point 139 (76/96) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -15.180 -4.476 2.704) 16.055 1.510 ( -15.180 4.476 2.704) 16.055 1.763 ( -14.492 -9.196 4.832) 17.831 1.763 ( -14.492 9.196 4.832) 17.831 2.363 ( 1.741 -5.056 3.995) 6.675 2.363 ( 1.741 5.056 3.995) 6.675 2.497 ( 4.581 -0.753 1.538) 4.891 2.497 ( 4.581 0.753 1.538) 4.891 2.724 ( 4.015 -5.386 -6.755) 9.526 2.724 ( 4.015 5.386 -6.755) 9.526 2.914 ( -6.555 -6.801 1.514) 9.567 2.914 ( -6.555 6.801 1.514) 9.567 3.097 ( 6.923 -1.198 5.069) 8.664 3.097 ( 6.923 1.198 5.069) 8.664 3.284 ( -2.899 -5.616 -5.939) 8.673 3.284 ( -2.899 5.616 -5.939) 8.673 3.509 ( -4.111 -7.724 0.298) 8.755 3.509 ( -4.111 7.724 0.298) 8.755 3.693 ( -5.817 -4.441 4.215) 8.445 3.693 ( -5.817 4.441 4.215) 8.445 4.025 ( 3.316 -3.093 -0.510) 4.563 4.025 ( 3.316 3.093 -0.510) 4.563 4.155 ( -3.485 -6.103 -1.117) 7.116 4.155 ( -3.485 6.103 -1.117) 7.116 4.363 ( 2.800 -6.548 -1.903) 7.371 4.363 ( 2.800 6.548 -1.903) 7.371 4.624 ( 1.612 -1.047 3.227) 3.756 4.624 ( 1.612 1.047 3.227) 3.756 4.846 ( -9.442 -1.166 -4.604) 10.569 4.846 ( -9.442 1.166 -4.604) 10.569 4.992 ( -8.849 -7.646 -1.440) 11.783 4.992 ( -8.849 7.646 -1.440) 11.783 5.046 ( -6.291 -3.428 2.190) 7.491 5.046 ( -6.291 3.428 2.190) 7.491 5.355 ( -7.569 -3.894 6.715) 10.842 5.355 ( -7.569 3.894 6.715) 10.842 5.497 ( -5.671 -2.669 -4.123) 7.502 5.497 ( -5.671 2.669 -4.123) 7.502 5.616 ( 2.851 -2.373 -2.942) 4.734 5.616 ( 2.851 2.373 -2.942) 4.734 5.850 ( -7.417 -2.424 -1.612) 7.968 5.850 ( -7.417 2.424 -1.612) 7.968 6.036 ( -0.686 -3.088 1.131) 3.360 6.036 ( -0.686 3.088 1.131) 3.360 6.222 ( 1.085 -2.885 8.299) 8.852 6.222 ( 1.085 2.885 8.299) 8.852 6.357 ( -6.085 -5.159 -7.073) 10.661 6.357 ( -6.085 5.159 -7.073) 10.661 6.558 ( -3.978 -1.420 8.801) 9.762 6.558 ( -3.978 1.420 8.801) 9.762 6.690 ( -7.481 -4.994 1.046) 9.055 6.690 ( -7.481 4.994 1.046) 9.055 6.886 ( -9.186 -9.755 -0.445) 13.407 6.886 ( -9.186 9.755 -0.445) 13.407 6.944 ( 0.291 -6.253 -1.671) 6.479 6.944 ( 0.291 6.253 -1.671) 6.479 6.978 ( -7.325 -7.483 -4.166) 11.270 6.978 ( -7.325 7.483 -4.166) 11.270 7.179 ( -7.209 -7.906 -2.745) 11.046 7.179 ( -7.209 7.906 -2.745) 11.046 7.302 ( -1.424 -8.003 2.427) 8.483 7.302 ( -1.424 8.003 2.427) 8.483 7.520 ( -3.732 -2.122 2.613) 5.026 7.520 ( -3.732 2.122 2.613) 5.026 7.607 ( -1.811 -1.998 2.545) 3.708 7.607 ( -1.811 1.998 2.545) 3.708 7.741 ( -2.690 -3.908 5.205) 7.042 7.741 ( -2.690 3.908 5.205) 7.042 7.950 ( -5.834 -2.543 -0.887) 6.426 7.950 ( -5.834 2.543 -0.887) 6.426 8.036 ( -9.590 -5.623 -0.404) 11.124 8.036 ( -9.590 5.623 -0.404) 11.124 8.247 ( -1.532 -6.022 -5.866) 8.545 8.247 ( -1.532 6.022 -5.866) 8.545 8.353 ( 0.637 -3.339 2.906) 4.472 8.353 ( 0.637 3.339 2.906) 4.472 8.465 ( -1.303 -3.706 -0.436) 3.952 8.465 ( -1.303 3.706 -0.436) 3.952 8.517 ( 3.241 -4.780 -2.095) 6.144 8.517 ( 3.241 4.780 -2.095) 6.144 8.650 ( -0.914 -1.397 -3.297) 3.695 8.650 ( -0.914 1.397 -3.297) 3.695 8.840 ( 1.999 -4.672 1.701) 5.359 8.840 ( 1.999 4.672 1.701) 5.359 8.969 ( 0.628 -2.208 -1.959) 3.017 8.969 ( 0.628 2.208 -1.959) 3.017 9.017 ( 4.128 -2.108 0.361) 4.649 9.017 ( 4.128 2.108 0.361) 4.649 9.219 ( 1.423 -6.469 -0.355) 6.633 9.219 ( 1.423 6.469 -0.355) 6.633 9.324 ( 2.440 -1.634 -4.992) 5.791 9.324 ( 2.440 1.634 -4.992) 5.791 9.419 ( 2.870 -1.989 2.170) 4.111 9.419 ( 2.870 1.989 2.170) 4.111 9.598 ( 5.429 -3.909 0.957) 6.758 9.598 ( 5.429 3.909 0.957) 6.758 9.713 ( 3.345 -3.543 0.671) 4.918 9.713 ( 3.345 3.543 0.671) 4.918 9.907 ( 8.992 -2.859 0.383) 9.443 9.907 ( 8.992 2.859 0.383) 9.443 9.948 ( 0.471 -3.079 -3.133) 4.418 9.948 ( 0.471 3.079 -3.133) 4.418 10.231 ( 14.138 -5.608 1.195) 15.257 10.231 ( 14.138 5.608 1.195) 15.257 10.403 ( 2.254 -2.558 1.842) 3.875 10.403 ( 2.254 2.558 1.842) 3.875 10.667 ( 13.293 -5.223 -2.964) 14.586 10.667 ( 13.293 5.223 -2.964) 14.586 10.880 ( 7.711 -5.286 3.675) 10.045 10.880 ( 7.711 5.286 3.675) 10.045 11.114 ( 4.472 -8.094 -3.163) 9.773 11.114 ( 4.472 8.094 -3.163) 9.773 11.609 ( 0.989 -2.658 -3.618) 4.597 11.609 ( 0.989 2.658 -3.618) 4.597 11.953 ( 8.416 -9.606 5.489) 13.901 11.953 ( 8.416 9.606 5.489) 13.901 12.732 ( -6.733 -5.014 -2.688) 8.815 12.732 ( -6.733 5.014 -2.688) 8.815 12.982 ( -3.323 -6.427 0.807) 7.280 12.982 ( -3.323 6.427 0.807) 7.280 14.044 ( 3.762 -4.149 0.875) 5.668 14.044 ( 3.762 4.149 0.875) 5.668 14.337 ( 5.857 -6.440 -0.054) 8.705 14.337 ( 5.857 6.440 -0.054) 8.705 14.674 ( 0.062 -1.673 3.328) 3.725 14.674 ( 0.062 1.673 3.328) 3.725 14.838 ( 3.469 -1.612 -6.166) 7.256 14.838 ( 3.469 1.612 -6.166) 7.256 16.478 ( -2.991 -1.140 6.763) 7.482 16.478 ( -2.991 1.140 6.763) 7.482 16.639 ( 0.106 -0.298 -9.442) 9.448 16.639 ( 0.106 0.298 -9.442) 9.448 17.034 ( -0.257 -2.509 -1.228) 2.805 17.034 ( -0.257 2.509 -1.228) 2.805 17.151 ( 0.771 -1.345 -6.076) 6.270 17.151 ( 0.771 1.345 -6.076) 6.270 17.390 ( -1.652 -0.738 0.648) 1.922 17.390 ( -1.652 0.738 0.648) 1.922 17.554 ( -0.803 -1.160 4.505) 4.721 17.554 ( -0.803 1.160 4.505) 4.721 17.649 ( 1.244 -0.902 2.941) 3.318 17.649 ( 1.244 0.902 2.941) 3.318 17.800 ( 0.002 -2.954 -0.509) 2.998 17.800 ( 0.002 2.954 -0.509) 2.998 17.975 ( 1.679 -4.552 -4.902) 6.897 17.975 ( 1.679 4.552 -4.902) 6.897 18.059 ( -0.091 -2.329 -0.486) 2.381 18.059 ( -0.091 2.329 -0.486) 2.381 18.108 ( 0.490 -0.443 6.554) 6.587 18.108 ( 0.490 0.443 6.554) 6.587 18.261 ( 2.081 -2.586 -1.744) 3.749 18.261 ( 2.081 2.586 -1.744) 3.749 18.657 ( -1.633 -3.413 4.717) 6.047 18.657 ( -1.633 3.413 4.717) 6.047 18.796 ( 0.184 -2.880 0.640) 2.956 18.796 ( 0.184 2.880 0.640) 2.956 20.712 ( -19.281 -0.880 0.682) 19.313 20.712 ( -19.281 0.880 0.682) 19.313 20.738 ( -19.637 -2.556 -0.007) 19.802 20.738 ( -19.637 2.556 -0.007) 19.802 21.374 ( -18.514 -17.044 -6.593) 26.014 21.374 ( -18.514 17.044 -6.593) 26.014 21.867 ( 9.895 -0.367 -1.163) 9.970 21.867 ( 9.895 0.367 -1.163) 9.970 21.946 ( 7.896 -1.257 -1.168) 8.081 21.946 ( 7.896 1.257 -1.168) 8.081 22.138 ( 3.919 -2.717 2.640) 5.451 22.138 ( 3.919 2.717 2.640) 5.451 27.035 ( -0.854 -0.404 1.206) 1.532 27.035 ( -0.854 0.404 1.206) 1.532 27.109 ( 0.395 -0.167 -0.887) 0.985 27.109 ( 0.395 0.167 -0.887) 0.985 27.578 ( -0.211 -1.060 1.881) 2.170 27.578 ( -0.211 1.060 1.881) 2.170 27.620 ( 0.877 -0.383 0.401) 1.037 27.620 ( 0.877 0.383 0.401) 1.037 27.820 ( -0.196 -0.776 -1.956) 2.113 27.820 ( -0.196 0.776 -1.956) 2.113 27.937 ( 2.622 -0.012 -0.081) 2.623 27.937 ( 2.622 0.012 -0.081) 2.623 36.815 ( -4.578 -2.182 -5.862) 7.751 36.815 ( -4.578 2.182 -5.862) 7.751 37.074 ( 2.100 -1.994 6.200) 6.842 37.074 ( 2.100 1.994 6.200) 6.842 37.197 ( -3.246 -3.625 2.216) 5.347 37.197 ( -3.246 3.625 2.216) 5.347 37.256 ( -3.149 -1.578 3.765) 5.156 37.256 ( -3.149 1.578 3.765) 5.156 37.768 ( -11.056 -0.880 3.624) 11.668 37.768 ( -11.056 0.880 3.624) 11.668 38.078 ( -7.529 -5.235 4.507) 10.218 38.078 ( -7.529 5.235 4.507) 10.218 38.388 ( -5.917 -2.258 -4.568) 7.809 38.388 ( -5.917 2.258 -4.568) 7.809 38.612 ( 6.713 -14.185 1.859) 15.803 38.612 ( 6.713 14.185 1.859) 15.803 38.739 ( -1.148 -5.898 -4.907) 7.758 38.739 ( -1.148 5.898 -4.907) 7.758 39.092 ( 24.733 -24.054 2.353) 34.581 39.092 ( 24.733 24.054 2.353) 34.581 39.750 ( 20.955 -4.822 -1.560) 21.559 39.750 ( 20.955 4.822 -1.560) 21.559 39.974 ( 25.716 -3.654 2.918) 26.137 39.974 ( 25.716 3.654 2.918) 26.137 ======================= Grid point 141 (77/96) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -15.460 -14.043 6.324) 21.822 1.262 ( -15.460 14.043 6.324) 21.822 1.593 ( -11.989 -13.931 10.657) 21.246 1.593 ( -11.989 13.931 10.657) 21.246 2.335 ( -2.972 -1.516 0.543) 3.380 2.335 ( -2.972 1.516 0.543) 3.380 2.624 ( -6.307 -3.546 -6.271) 9.575 2.624 ( -6.307 3.546 -6.271) 9.575 2.697 ( 6.159 -9.071 -1.913) 11.130 2.697 ( 6.159 9.071 -1.913) 11.130 2.849 ( -1.446 -7.520 7.869) 10.980 2.849 ( -1.446 7.520 7.869) 10.980 3.080 ( -2.779 -5.265 -2.021) 6.287 3.080 ( -2.779 5.265 -2.021) 6.287 3.338 ( 6.386 -7.062 3.969) 10.315 3.338 ( 6.386 7.062 3.969) 10.315 3.480 ( -2.037 -4.746 -1.414) 5.354 3.480 ( -2.037 4.746 -1.414) 5.354 3.682 ( 1.631 -6.633 5.342) 8.672 3.682 ( 1.631 6.633 5.342) 8.672 4.059 ( -0.327 -1.250 0.321) 1.331 4.059 ( -0.327 1.250 0.321) 1.331 4.097 ( -0.888 -5.450 -0.289) 5.529 4.097 ( -0.888 5.450 -0.289) 5.529 4.395 ( 0.474 -4.112 -0.530) 4.173 4.395 ( 0.474 4.112 -0.530) 4.173 4.583 ( -7.815 -1.345 -2.348) 8.270 4.583 ( -7.815 1.345 -2.348) 8.270 4.616 ( -9.119 -2.038 -5.382) 10.783 4.616 ( -9.119 2.038 -5.382) 10.783 4.830 ( -7.331 -6.531 0.077) 9.819 4.830 ( -7.331 6.531 0.077) 9.819 5.016 ( -1.244 -2.007 5.113) 5.632 5.016 ( -1.244 2.007 5.113) 5.632 5.227 ( -10.380 -4.820 2.807) 11.783 5.227 ( -10.380 4.820 2.807) 11.783 5.376 ( -4.613 -4.346 -5.293) 8.257 5.376 ( -4.613 4.346 -5.293) 8.257 5.655 ( 1.454 -1.737 1.032) 2.489 5.655 ( 1.454 1.737 1.032) 2.489 5.718 ( -6.542 -3.326 -1.462) 7.483 5.718 ( -6.542 3.326 -1.462) 7.483 6.000 ( -2.892 -1.940 0.703) 3.553 6.000 ( -2.892 1.940 0.703) 3.553 6.172 ( -8.218 -5.676 -0.822) 10.022 6.172 ( -8.218 5.676 -0.822) 10.022 6.267 ( -1.715 -4.761 -1.329) 5.232 6.267 ( -1.715 4.761 -1.329) 5.232 6.425 ( -13.230 -2.474 3.516) 13.911 6.425 ( -13.230 2.474 3.516) 13.911 6.615 ( -10.115 -6.188 1.748) 11.986 6.615 ( -10.115 6.188 1.748) 11.986 6.715 ( -1.205 -8.257 1.409) 8.462 6.715 ( -1.205 8.257 1.409) 8.462 6.840 ( -5.283 -6.871 -3.315) 9.280 6.840 ( -5.283 6.871 -3.315) 9.280 6.999 ( 4.192 -9.986 -2.488) 11.112 6.999 ( 4.192 9.986 -2.488) 11.112 7.047 ( -4.670 -3.176 -0.517) 5.671 7.047 ( -4.670 3.176 -0.517) 5.671 7.326 ( -0.651 -7.233 1.922) 7.512 7.326 ( -0.651 7.233 1.922) 7.512 7.451 ( -2.857 -3.765 -3.325) 5.779 7.451 ( -2.857 3.765 -3.325) 5.779 7.612 ( -0.200 -2.752 3.121) 4.166 7.612 ( -0.200 2.752 3.121) 4.166 7.703 ( -4.110 -7.299 2.378) 8.708 7.703 ( -4.110 7.299 2.378) 8.708 7.834 ( -8.323 -4.050 1.119) 9.324 7.834 ( -8.323 4.050 1.119) 9.324 7.938 ( -1.878 -0.826 4.207) 4.680 7.938 ( -1.878 0.826 4.207) 4.680 8.183 ( -2.304 -5.381 -1.848) 6.139 8.183 ( -2.304 5.381 -1.848) 6.139 8.335 ( -6.074 -4.214 -4.701) 8.760 8.335 ( -6.074 4.214 -4.701) 8.760 8.419 ( 1.444 -4.837 1.326) 5.219 8.419 ( 1.444 4.837 1.326) 5.219 8.554 ( 0.867 -2.507 -8.233) 8.649 8.554 ( 0.867 2.507 -8.233) 8.649 8.631 ( 0.493 -4.943 4.088) 6.434 8.631 ( 0.493 4.943 4.088) 6.434 8.885 ( 1.900 -3.664 -0.379) 4.145 8.885 ( 1.900 3.664 -0.379) 4.145 8.957 ( -0.642 -6.076 -1.444) 6.278 8.957 ( -0.642 6.076 -1.444) 6.278 9.045 ( 1.451 -0.575 -1.248) 1.998 9.045 ( 1.451 0.575 -1.248) 1.998 9.228 ( 1.272 -6.232 -4.272) 7.662 9.228 ( 1.272 6.232 -4.272) 7.662 9.327 ( 2.820 -2.565 -4.704) 6.055 9.327 ( 2.820 2.565 -4.704) 6.055 9.513 ( 5.489 -0.356 0.812) 5.560 9.513 ( 5.489 0.356 0.812) 5.560 9.668 ( 0.264 -5.536 2.409) 6.043 9.668 ( 0.264 5.536 2.409) 6.043 9.788 ( 5.497 -3.522 -3.868) 7.588 9.788 ( 5.497 3.522 -3.868) 7.588 9.945 ( 2.353 -1.477 2.362) 3.646 9.945 ( 2.353 1.477 2.362) 3.646 10.078 ( 7.701 -2.775 1.431) 8.310 10.078 ( 7.701 2.775 1.431) 8.310 10.361 ( 1.557 -5.294 -2.220) 5.948 10.361 ( 1.557 5.294 -2.220) 5.948 10.586 ( 13.002 -4.966 7.524) 15.822 10.586 ( 13.002 4.966 7.524) 15.822 10.873 ( 10.678 -6.438 -1.473) 12.555 10.873 ( 10.678 6.438 -1.473) 12.555 11.065 ( 12.438 -4.007 -2.780) 13.360 11.065 ( 12.438 4.007 -2.780) 13.360 11.210 ( 4.397 -9.256 8.260) 13.162 11.210 ( 4.397 9.256 8.260) 13.162 11.623 ( 4.620 -6.777 -3.777) 9.030 11.623 ( 4.620 6.777 -3.777) 9.030 12.109 ( 4.801 -10.694 3.640) 12.274 12.109 ( 4.801 10.694 3.640) 12.274 12.581 ( -6.856 -3.901 -4.052) 8.868 12.581 ( -6.856 3.901 -4.052) 8.868 12.913 ( -6.197 -8.186 3.116) 10.730 12.913 ( -6.197 8.186 3.116) 10.730 14.141 ( 6.826 -7.193 -0.999) 9.966 14.141 ( 6.826 7.193 -0.999) 9.966 14.447 ( 7.552 -5.028 -3.105) 9.589 14.447 ( 7.552 5.028 -3.105) 9.589 14.705 ( 0.584 -1.868 3.642) 4.134 14.705 ( 0.584 1.868 3.642) 4.134 14.867 ( 4.044 -2.391 -3.838) 6.066 14.867 ( 4.044 2.391 -3.838) 6.066 16.449 ( -4.522 -2.318 2.983) 5.892 16.449 ( -4.522 2.318 2.983) 5.892 16.568 ( 0.902 -0.862 -11.492) 11.559 16.568 ( 0.902 0.862 -11.492) 11.559 17.013 ( -0.370 -2.242 -3.134) 3.871 17.013 ( -0.370 2.242 -3.134) 3.871 17.144 ( 1.384 -4.412 0.475) 4.648 17.144 ( 1.384 4.412 0.475) 4.648 17.377 ( -0.631 -1.395 1.403) 2.077 17.377 ( -0.631 1.395 1.403) 2.077 17.569 ( -1.509 -1.883 4.350) 4.974 17.569 ( -1.509 1.883 4.350) 4.974 17.682 ( 0.806 -2.239 0.857) 2.529 17.682 ( 0.806 2.239 0.857) 2.529 17.801 ( 0.572 -1.080 0.355) 1.273 17.801 ( 0.572 1.080 0.355) 1.273 17.963 ( 1.157 -2.669 -4.958) 5.749 17.963 ( 1.157 2.669 -4.958) 5.749 18.054 ( 1.313 -4.193 -3.527) 5.635 18.054 ( 1.313 4.193 -3.527) 5.635 18.178 ( 1.133 -2.395 7.524) 7.977 18.178 ( 1.133 2.395 7.524) 7.977 18.295 ( 2.043 -2.775 1.049) 3.602 18.295 ( 2.043 2.775 1.049) 3.602 18.674 ( -0.235 -4.313 4.599) 6.309 18.674 ( -0.235 4.313 4.599) 6.309 18.812 ( 0.558 -3.872 1.810) 4.311 18.812 ( 0.558 3.872 1.810) 4.311 20.396 ( -16.755 -0.269 0.471) 16.764 20.396 ( -16.755 0.269 0.471) 16.764 20.420 ( -16.335 -1.114 0.497) 16.381 20.420 ( -16.335 1.114 0.497) 16.381 20.891 ( -28.144 -15.566 -10.109) 33.713 20.891 ( -28.144 15.566 -10.109) 33.713 22.007 ( 6.667 -0.253 -0.292) 6.678 22.007 ( 6.667 0.253 -0.292) 6.678 22.062 ( 5.609 -1.145 -0.431) 5.741 22.062 ( 5.609 1.145 -0.431) 5.741 22.200 ( 1.669 -1.515 1.209) 2.558 22.200 ( 1.669 1.515 1.209) 2.558 27.030 ( -0.743 -0.835 1.188) 1.631 27.030 ( -0.743 0.835 1.188) 1.631 27.110 ( 0.307 -0.186 -0.451) 0.577 27.110 ( 0.307 0.186 -0.451) 0.577 27.591 ( 0.040 -1.241 1.895) 2.266 27.591 ( 0.040 1.241 1.895) 2.266 27.642 ( 1.185 -0.186 0.707) 1.392 27.642 ( 1.185 0.186 0.707) 1.392 27.805 ( 0.283 -1.285 -2.210) 2.572 27.805 ( 0.283 1.285 -2.210) 2.572 27.985 ( 2.658 -0.225 0.309) 2.685 27.985 ( 2.658 0.225 0.309) 2.685 36.713 ( -2.796 -2.583 -4.184) 5.656 36.713 ( -2.796 2.583 -4.184) 5.656 37.108 ( -2.395 -2.863 2.141) 4.303 37.108 ( -2.395 2.863 2.141) 4.303 37.166 ( -2.766 -1.717 5.227) 6.158 37.166 ( -2.766 1.717 5.227) 6.158 37.273 ( 0.165 -3.300 7.788) 8.460 37.273 ( 0.165 3.300 7.788) 8.460 37.593 ( -9.553 -0.743 0.607) 9.601 37.593 ( -9.553 0.743 0.607) 9.601 38.062 ( -1.313 -4.509 9.311) 10.429 38.062 ( -1.313 4.509 9.311) 10.429 38.249 ( -5.919 -3.960 -2.815) 7.657 38.249 ( -5.919 3.960 -2.815) 7.657 38.662 ( 1.401 -5.720 -11.353) 12.790 38.662 ( 1.401 5.720 -11.353) 12.790 38.726 ( 3.670 -18.666 -1.616) 19.092 38.726 ( 3.670 18.666 -1.616) 19.092 39.689 ( 36.849 -21.436 5.049) 42.928 39.689 ( 36.849 21.436 5.049) 42.928 40.090 ( 18.354 -1.447 0.430) 18.416 40.090 ( 18.354 1.447 0.430) 18.416 40.440 ( 24.108 -4.845 4.151) 24.938 40.440 ( 24.108 4.845 4.151) 24.938 ======================= Grid point 143 (78/96) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -6.089 -12.507 16.060) 21.246 1.140 ( -6.089 12.507 16.060) 21.246 1.474 ( -10.591 -13.615 11.822) 20.912 1.474 ( -10.591 13.615 11.822) 20.912 2.316 ( -0.138 -2.362 -2.814) 3.677 2.316 ( -0.138 2.362 -2.814) 3.677 2.416 ( -8.931 -5.321 -0.452) 10.406 2.416 ( -8.931 5.321 -0.452) 10.406 2.650 ( 0.734 -14.491 -15.145) 20.973 2.650 ( 0.734 14.491 -15.145) 20.973 3.020 ( 4.821 -4.685 5.316) 8.570 3.020 ( 4.821 4.685 5.316) 8.570 3.062 ( -0.815 -11.069 10.383) 15.199 3.062 ( -0.815 11.069 10.383) 15.199 3.424 ( -0.400 -6.274 -2.275) 6.686 3.424 ( -0.400 6.274 -2.275) 6.686 3.488 ( 7.203 -2.473 3.835) 8.527 3.488 ( 7.203 2.473 3.835) 8.527 3.771 ( 1.677 -5.459 5.471) 7.909 3.771 ( 1.677 5.459 5.471) 7.909 4.023 ( -3.990 -1.609 4.824) 6.463 4.023 ( -3.990 1.609 4.824) 6.463 4.123 ( 2.042 -1.417 -1.281) 2.796 4.123 ( 2.042 1.417 -1.281) 2.796 4.279 ( -10.454 -3.578 -4.368) 11.882 4.279 ( -10.454 3.578 -4.368) 11.882 4.456 ( -4.041 -2.870 -3.527) 6.083 4.456 ( -4.041 2.870 -3.527) 6.083 4.495 ( 0.399 -3.396 -0.655) 3.481 4.495 ( 0.399 3.396 -0.655) 3.481 4.741 ( -3.910 -1.699 0.319) 4.275 4.741 ( -3.910 1.699 0.319) 4.275 5.001 ( -8.868 -3.490 0.621) 9.550 5.001 ( -8.868 3.490 0.621) 9.550 5.097 ( -1.351 -7.197 4.037) 8.362 5.097 ( -1.351 7.197 4.037) 8.362 5.269 ( -2.315 -3.868 -5.347) 6.994 5.269 ( -2.315 3.868 -5.347) 6.994 5.602 ( -4.402 -3.881 -1.854) 6.154 5.602 ( -4.402 3.881 -1.854) 6.154 5.702 ( 1.499 -4.438 5.958) 7.579 5.702 ( 1.499 4.438 5.958) 7.579 5.943 ( -4.868 -1.242 1.090) 5.140 5.943 ( -4.868 1.242 1.090) 5.140 6.056 ( -4.296 -4.129 -1.406) 6.122 6.056 ( -4.296 4.129 -1.406) 6.122 6.176 ( -6.819 -5.285 -1.374) 8.736 6.176 ( -6.819 5.285 -1.374) 8.736 6.237 ( -6.633 -1.002 -1.148) 6.806 6.237 ( -6.633 1.002 -1.148) 6.806 6.459 ( -7.565 -6.910 1.330) 10.331 6.459 ( -7.565 6.910 1.330) 10.331 6.677 ( -3.510 -7.381 -5.148) 9.659 6.677 ( -3.510 7.381 -5.148) 9.659 6.804 ( 0.401 -6.450 2.997) 7.124 6.804 ( 0.401 6.450 2.997) 7.124 6.986 ( -1.432 -7.391 2.177) 7.837 6.986 ( -1.432 7.391 2.177) 7.837 7.063 ( 4.369 -9.316 -3.697) 10.933 7.063 ( 4.369 9.316 -3.697) 10.933 7.301 ( -0.435 -1.711 -2.972) 3.457 7.301 ( -0.435 1.711 -2.972) 3.457 7.396 ( -1.064 -4.757 -1.826) 5.206 7.396 ( -1.064 4.757 -1.826) 5.206 7.593 ( -4.799 -6.907 -1.780) 8.597 7.593 ( -4.799 6.907 -1.780) 8.597 7.683 ( -0.652 -4.286 5.237) 6.799 7.683 ( -0.652 4.286 5.237) 6.799 7.759 ( -1.618 -4.259 3.671) 5.851 7.759 ( -1.618 4.259 3.671) 5.851 7.929 ( -2.770 -1.780 1.998) 3.852 7.929 ( -2.770 1.780 1.998) 3.852 8.134 ( -3.115 -3.075 0.189) 4.381 8.134 ( -3.115 3.075 0.189) 4.381 8.215 ( -1.753 -6.522 -2.174) 7.095 8.215 ( -1.753 6.522 -2.174) 7.095 8.407 ( -3.161 -3.996 -2.730) 5.780 8.407 ( -3.161 3.996 -2.730) 5.780 8.518 ( 1.446 -4.863 -4.656) 6.886 8.518 ( 1.446 4.863 -4.656) 6.886 8.658 ( 0.372 -3.495 0.578) 3.562 8.658 ( 0.372 3.495 0.578) 3.562 8.909 ( 1.554 -2.286 -3.796) 4.696 8.909 ( 1.554 2.286 -3.796) 4.696 8.929 ( 0.278 -8.387 -1.504) 8.525 8.929 ( 0.278 8.387 -1.504) 8.525 9.069 ( 0.500 -1.859 0.557) 2.004 9.069 ( 0.500 1.859 0.557) 2.004 9.197 ( -1.161 -3.415 -2.254) 4.253 9.197 ( -1.161 3.415 -2.254) 4.253 9.360 ( 3.554 -2.143 -2.690) 4.946 9.360 ( 3.554 2.143 -2.690) 4.946 9.605 ( 4.320 -0.405 0.167) 4.342 9.605 ( 4.320 0.405 0.167) 4.342 9.673 ( 0.434 -3.906 -0.971) 4.048 9.673 ( 0.434 3.906 -0.971) 4.048 9.825 ( 2.058 -5.227 -1.995) 5.962 9.825 ( 2.058 5.227 -1.995) 5.962 10.028 ( 1.905 -1.283 3.428) 4.126 10.028 ( 1.905 1.283 3.428) 4.126 10.189 ( 3.918 -3.682 1.890) 5.699 10.189 ( 3.918 3.682 1.890) 5.699 10.379 ( 0.990 -7.346 1.593) 7.582 10.379 ( 0.990 7.346 1.593) 7.582 10.808 ( 7.462 -5.670 2.976) 9.833 10.808 ( 7.462 5.670 2.976) 9.833 10.981 ( 3.783 -6.624 -5.143) 9.200 10.981 ( 3.783 6.624 -5.143) 9.200 11.226 ( 7.258 -0.424 0.537) 7.290 11.226 ( 7.258 0.424 0.537) 7.290 11.397 ( 6.360 -12.009 10.847) 17.387 11.397 ( 6.360 12.009 10.847) 17.387 11.722 ( 8.224 -13.101 -2.840) 15.727 11.722 ( 8.224 13.101 -2.840) 15.727 12.193 ( 2.107 -4.640 5.473) 7.479 12.193 ( 2.107 4.640 5.473) 7.479 12.456 ( -2.788 -0.647 -4.347) 5.205 12.456 ( -2.788 0.647 -4.347) 5.205 12.812 ( -7.784 -7.679 2.900) 11.312 12.812 ( -7.784 7.679 2.900) 11.312 14.240 ( 4.393 -8.020 -0.624) 9.165 14.240 ( 4.393 8.020 -0.624) 9.165 14.528 ( 5.537 -2.032 -7.731) 9.724 14.528 ( 5.537 2.032 -7.731) 9.724 14.754 ( 2.194 -3.698 2.540) 4.994 14.754 ( 2.194 3.698 2.540) 4.994 14.912 ( 3.254 -3.653 -2.155) 5.345 14.912 ( 3.254 3.653 -2.155) 5.345 16.368 ( -5.439 -3.789 -0.555) 6.652 16.368 ( -5.439 3.789 -0.555) 6.652 16.506 ( 2.489 -2.055 -12.832) 13.232 16.506 ( 2.489 2.055 -12.832) 13.232 16.978 ( -0.349 -2.374 -4.025) 4.686 16.978 ( -0.349 2.374 -4.025) 4.686 17.206 ( 2.292 -7.733 6.101) 10.113 17.206 ( 2.292 7.733 6.101) 10.113 17.388 ( 0.305 -3.383 2.149) 4.019 17.388 ( 0.305 3.383 2.149) 4.019 17.565 ( -1.713 -3.255 2.836) 4.645 17.565 ( -1.713 3.255 2.836) 4.645 17.694 ( 0.080 -3.124 0.231) 3.133 17.694 ( 0.080 3.124 0.231) 3.133 17.819 ( 0.778 -0.952 0.218) 1.249 17.819 ( 0.778 0.952 0.218) 1.249 17.943 ( 0.220 -1.417 -3.483) 3.766 17.943 ( 0.220 1.417 -3.483) 3.766 18.051 ( 1.681 -6.736 -4.629) 8.344 18.051 ( 1.681 6.736 -4.629) 8.344 18.252 ( 1.490 -2.857 5.915) 6.736 18.252 ( 1.490 2.857 5.915) 6.736 18.341 ( 1.530 -2.967 2.161) 3.976 18.341 ( 1.530 2.967 2.161) 3.976 18.716 ( 1.210 -5.335 3.489) 6.488 18.716 ( 1.210 5.335 3.489) 6.488 18.840 ( 0.436 -4.363 2.916) 5.266 18.840 ( 0.436 4.363 2.916) 5.266 20.156 ( -10.134 -0.385 -0.095) 10.142 20.156 ( -10.134 0.385 -0.095) 10.142 20.191 ( -9.819 -0.235 0.430) 9.831 20.191 ( -9.819 0.235 0.430) 9.831 20.335 ( -24.687 -5.381 -5.045) 25.765 20.335 ( -24.687 5.381 -5.045) 25.765 22.097 ( 3.639 -0.183 0.142) 3.646 22.097 ( 3.639 0.183 0.142) 3.646 22.132 ( 2.687 -0.787 -0.276) 2.813 22.132 ( 2.687 0.787 -0.276) 2.813 22.221 ( 0.167 -0.699 0.611) 0.943 22.221 ( 0.167 0.699 0.611) 0.943 27.028 ( -0.475 -1.199 1.276) 1.815 27.028 ( -0.475 1.199 1.276) 1.815 27.111 ( 0.097 -0.422 -0.259) 0.505 27.111 ( 0.097 0.422 -0.259) 0.505 27.607 ( -0.001 -1.289 2.206) 2.555 27.607 ( -0.001 1.289 2.206) 2.555 27.666 ( 0.765 -0.281 0.721) 1.089 27.666 ( 0.765 0.281 0.721) 1.089 27.797 ( 0.741 -1.498 -2.295) 2.839 27.797 ( 0.741 1.498 -2.295) 2.839 28.029 ( 1.927 -0.253 0.373) 1.979 28.029 ( 1.927 0.253 0.373) 1.979 36.655 ( -0.954 -2.422 -2.780) 3.809 36.655 ( -0.954 2.422 -2.780) 3.809 37.075 ( -2.297 -1.643 2.156) 3.553 37.075 ( -2.297 1.643 2.156) 3.553 37.157 ( -1.870 -1.618 3.916) 4.631 37.157 ( -1.870 1.618 3.916) 4.631 37.342 ( -0.029 -3.124 5.429) 6.264 37.342 ( -0.029 3.124 5.429) 6.264 37.479 ( -3.883 -1.907 4.039) 5.918 37.479 ( -3.883 1.907 4.039) 5.918 38.106 ( -1.620 -0.940 2.658) 3.251 38.106 ( -1.620 0.940 2.658) 3.251 38.181 ( -1.323 -3.144 6.788) 7.597 38.181 ( -1.323 3.144 6.788) 7.597 38.570 ( -0.615 -8.591 -14.436) 16.810 38.570 ( -0.615 8.591 -14.436) 16.810 38.759 ( 2.230 -20.225 -4.434) 20.826 38.759 ( 2.230 20.225 -4.434) 20.826 40.241 ( 17.660 -12.531 2.332) 21.779 40.241 ( 17.660 12.531 2.332) 21.779 40.413 ( 18.616 -5.725 -2.014) 19.581 40.413 ( 18.616 5.725 -2.014) 19.581 40.870 ( 20.732 -3.788 2.475) 21.220 40.870 ( 20.732 3.788 2.475) 21.220 ======================= Grid point 155 (79/96) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.919 0.000 -15.816) 15.843 1.269 ( -0.919 0.000 15.816) 15.843 1.521 ( 4.257 0.000 -11.478) 12.242 1.521 ( -4.257 0.000 11.478) 12.242 1.937 ( 1.523 0.000 -10.461) 10.571 1.937 ( -1.523 0.000 10.461) 10.571 2.285 ( 2.040 0.000 -2.541) 3.259 2.285 ( -2.040 0.000 2.541) 3.259 2.606 ( 4.235 0.000 -2.637) 4.988 2.606 ( -4.235 0.000 2.637) 4.988 2.910 ( -6.542 0.000 -2.335) 6.946 2.910 ( 6.542 0.000 2.335) 6.946 3.232 ( -0.768 0.000 -9.281) 9.313 3.232 ( 0.768 0.000 9.281) 9.313 3.449 ( 0.839 0.000 -4.134) 4.218 3.449 ( -0.839 0.000 4.134) 4.218 3.643 ( -1.805 0.000 -2.787) 3.321 3.643 ( 1.805 0.000 2.787) 3.321 3.760 ( 6.521 0.000 -2.789) 7.092 3.760 ( -6.521 0.000 2.789) 7.092 3.863 ( -9.790 0.000 -2.735) 10.165 3.863 ( 9.790 0.000 2.735) 10.165 4.191 ( -0.014 0.000 -4.591) 4.591 4.191 ( 0.014 0.000 4.591) 4.591 4.300 ( -0.968 0.000 -1.730) 1.982 4.300 ( 0.968 0.000 1.730) 1.982 4.473 ( 1.596 0.000 -6.614) 6.803 4.473 ( -1.596 0.000 6.614) 6.803 4.541 ( -8.626 0.000 0.380) 8.634 4.541 ( 8.626 0.000 -0.380) 8.634 4.689 ( 1.192 0.000 -7.296) 7.393 4.689 ( -1.192 0.000 7.296) 7.393 4.959 ( -3.648 0.000 -2.467) 4.404 4.959 ( 3.648 0.000 2.467) 4.404 5.187 ( -2.894 0.000 -0.581) 2.952 5.187 ( 2.894 0.000 0.581) 2.952 5.256 ( 1.041 0.000 -14.712) 14.749 5.256 ( -1.041 0.000 14.712) 14.749 5.569 ( 0.791 0.000 -4.359) 4.430 5.569 ( -0.791 0.000 4.359) 4.430 5.714 ( -7.454 0.000 1.428) 7.589 5.714 ( 7.454 0.000 -1.428) 7.589 5.900 ( 1.071 0.000 -0.997) 1.463 5.900 ( -1.071 0.000 0.997) 1.463 5.944 ( 4.513 0.000 -3.380) 5.638 5.944 ( -4.513 0.000 3.380) 5.638 6.124 ( 2.659 0.000 -6.192) 6.739 6.124 ( -2.659 0.000 6.192) 6.739 6.219 ( -2.288 0.000 -8.673) 8.969 6.219 ( 2.288 0.000 8.673) 8.969 6.355 ( 0.991 0.000 -4.857) 4.957 6.355 ( -0.991 0.000 4.857) 4.957 6.610 ( -2.470 0.000 -1.345) 2.813 6.610 ( 2.470 0.000 1.345) 2.813 6.802 ( 3.367 0.000 -3.556) 4.897 6.802 ( -3.367 0.000 3.556) 4.897 7.040 ( -2.818 0.000 0.291) 2.833 7.040 ( 2.818 0.000 -0.291) 2.833 7.093 ( -3.236 0.000 -1.014) 3.391 7.093 ( 3.236 0.000 1.014) 3.391 7.191 ( -1.576 0.000 -1.540) 2.204 7.191 ( 1.576 0.000 1.540) 2.204 7.346 ( 0.354 0.000 -5.381) 5.392 7.346 ( -0.354 0.000 5.381) 5.392 7.496 ( -0.944 0.000 -0.815) 1.248 7.496 ( 0.944 0.000 0.815) 1.248 7.670 ( -1.913 0.000 -2.101) 2.842 7.670 ( 1.913 0.000 2.101) 2.842 7.931 ( -3.868 0.000 0.617) 3.917 7.931 ( 3.868 0.000 -0.617) 3.917 7.951 ( -1.544 0.000 -8.275) 8.418 7.951 ( 1.544 0.000 8.275) 8.418 8.103 ( -1.924 0.000 -2.976) 3.544 8.103 ( 1.924 0.000 2.976) 3.544 8.259 ( 0.965 0.000 -4.888) 4.983 8.259 ( -0.965 0.000 4.888) 4.983 8.274 ( -5.300 0.000 0.800) 5.360 8.274 ( 5.300 0.000 -0.800) 5.360 8.597 ( -3.183 0.000 -0.552) 3.230 8.597 ( 3.183 0.000 0.552) 3.230 8.619 ( -3.156 0.000 0.218) 3.164 8.619 ( 3.156 0.000 -0.218) 3.164 8.734 ( -0.176 0.000 -3.229) 3.234 8.734 ( 0.176 0.000 3.229) 3.234 8.939 ( -0.754 0.000 -6.646) 6.688 8.939 ( 0.754 0.000 6.646) 6.688 9.138 ( -0.043 0.000 -3.307) 3.307 9.138 ( 0.043 0.000 3.307) 3.307 9.235 ( -1.516 0.000 -5.674) 5.873 9.235 ( 1.516 0.000 5.674) 5.873 9.286 ( 0.265 0.000 -2.319) 2.334 9.286 ( -0.265 0.000 2.319) 2.334 9.418 ( 0.461 0.000 -0.978) 1.081 9.418 ( -0.461 0.000 0.978) 1.081 9.760 ( 1.195 0.000 -1.133) 1.647 9.760 ( -1.195 0.000 1.133) 1.647 9.855 ( -1.187 0.000 -2.015) 2.339 9.855 ( 1.187 0.000 2.015) 2.339 10.128 ( 2.504 0.000 -4.418) 5.078 10.128 ( -2.504 0.000 4.418) 5.078 10.173 ( -2.291 0.000 0.164) 2.297 10.173 ( 2.291 0.000 -0.164) 2.297 10.485 ( -0.272 0.000 -4.136) 4.145 10.485 ( 0.272 0.000 4.136) 4.145 10.741 ( -6.246 0.000 -4.664) 7.795 10.741 ( 6.246 0.000 4.664) 7.795 11.009 ( -4.291 0.000 -1.964) 4.719 11.009 ( 4.291 0.000 1.964) 4.719 11.269 ( 3.073 0.000 -2.690) 4.084 11.269 ( -3.073 0.000 2.690) 4.084 11.481 ( 3.735 0.000 -2.756) 4.642 11.481 ( -3.735 0.000 2.756) 4.642 12.036 ( 4.061 0.000 -6.532) 7.691 12.036 ( -4.061 0.000 6.532) 7.691 12.229 ( 5.370 0.000 -9.392) 10.819 12.229 ( -5.370 0.000 9.392) 10.819 12.459 ( -7.688 0.000 -3.291) 8.363 12.459 ( 7.688 0.000 3.291) 8.363 12.886 ( -18.694 0.000 3.481) 19.015 12.886 ( 18.694 0.000 -3.481) 19.015 14.173 ( 0.825 0.000 -12.850) 12.877 14.173 ( -0.825 0.000 12.850) 12.877 14.491 ( -3.957 0.000 -2.093) 4.477 14.491 ( 3.957 0.000 2.093) 4.477 14.685 ( 3.540 0.000 -3.027) 4.658 14.685 ( -3.540 0.000 3.027) 4.658 14.959 ( 2.075 0.000 -4.569) 5.018 14.959 ( -2.075 0.000 4.569) 5.018 16.214 ( 3.688 0.000 -4.841) 6.086 16.214 ( -3.688 0.000 4.841) 6.086 16.441 ( 4.641 0.000 -2.259) 5.162 16.441 ( -4.641 0.000 2.259) 5.162 16.971 ( -1.458 0.000 -1.776) 2.298 16.971 ( 1.458 0.000 1.776) 2.298 17.123 ( 3.121 0.000 -4.443) 5.429 17.123 ( -3.121 0.000 4.443) 5.429 17.430 ( 1.127 0.000 -2.057) 2.346 17.430 ( -1.127 0.000 2.057) 2.346 17.552 ( -0.406 0.000 -1.269) 1.332 17.552 ( 0.406 0.000 1.269) 1.332 17.781 ( 2.909 0.000 -3.673) 4.686 17.781 ( -2.909 0.000 3.673) 4.686 17.799 ( 1.126 0.000 -3.026) 3.229 17.799 ( -1.126 0.000 3.026) 3.229 17.885 ( 0.190 0.000 -0.311) 0.365 17.885 ( -0.190 0.000 0.311) 0.365 18.076 ( 1.293 0.000 -7.304) 7.417 18.076 ( -1.293 0.000 7.304) 7.417 18.266 ( 1.658 0.000 -1.421) 2.183 18.266 ( -1.658 0.000 1.421) 2.183 18.490 ( 0.226 0.000 -1.094) 1.117 18.490 ( -0.226 0.000 1.094) 1.117 18.640 ( 2.117 0.000 -2.922) 3.608 18.640 ( -2.117 0.000 2.922) 3.608 19.006 ( -0.874 0.000 -0.589) 1.054 19.006 ( 0.874 0.000 0.589) 1.054 20.052 ( -1.551 0.000 0.084) 1.553 20.052 ( 1.551 0.000 -0.084) 1.553 20.079 ( -0.925 0.000 -0.033) 0.926 20.079 ( 0.925 0.000 0.033) 0.926 20.117 ( -0.367 0.000 -0.079) 0.375 20.117 ( 0.367 0.000 0.079) 0.375 22.134 ( 0.331 0.000 -0.224) 0.400 22.134 ( -0.331 0.000 0.224) 0.400 22.151 ( -0.816 0.000 -0.599) 1.012 22.151 ( 0.816 0.000 0.599) 1.012 22.229 ( -0.628 0.000 -0.241) 0.673 22.229 ( 0.628 0.000 0.241) 0.673 27.043 ( 0.206 0.000 -2.067) 2.077 27.043 ( -0.206 0.000 2.067) 2.077 27.109 ( 0.363 0.000 -1.187) 1.241 27.109 ( -0.363 0.000 1.187) 1.241 27.650 ( 0.504 0.000 -2.360) 2.413 27.650 ( -0.504 0.000 2.360) 2.413 27.676 ( 0.528 0.000 -0.478) 0.712 27.676 ( -0.528 0.000 0.478) 0.712 27.772 ( 0.027 0.000 -1.741) 1.741 27.772 ( -0.027 0.000 1.741) 1.741 28.053 ( 0.053 0.000 -0.184) 0.191 28.053 ( -0.053 0.000 0.184) 0.191 36.610 ( -0.029 0.000 -2.205) 2.205 36.610 ( 0.029 0.000 2.205) 2.205 37.135 ( 0.481 0.000 -1.942) 2.001 37.135 ( -0.481 0.000 1.942) 2.001 37.200 ( -2.423 0.000 -5.590) 6.092 37.200 ( 2.423 0.000 5.590) 6.092 37.318 ( -0.113 0.000 -1.817) 1.821 37.318 ( 0.113 0.000 1.817) 1.821 37.671 ( -0.245 0.000 0.015) 0.245 37.671 ( 0.245 0.000 -0.015) 0.245 38.000 ( -3.588 0.000 -1.421) 3.859 38.000 ( 3.588 0.000 1.421) 3.859 38.163 ( 1.553 0.000 -1.213) 1.971 38.163 ( -1.553 0.000 1.213) 1.971 38.333 ( -1.405 0.000 -12.305) 12.385 38.333 ( 1.405 0.000 12.305) 12.385 38.709 ( -0.980 0.000 -21.450) 21.472 38.709 ( 0.980 0.000 21.450) 21.472 40.396 ( 1.185 0.000 -3.372) 3.574 40.396 ( -1.185 0.000 3.372) 3.574 40.642 ( -2.150 0.000 -2.752) 3.492 40.642 ( 2.150 0.000 2.752) 3.492 41.099 ( 4.656 0.000 -3.519) 5.836 41.099 ( -4.656 0.000 3.519) 5.836 ======================= Grid point 157 (80/96) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 19.834 0.000 -10.564) 22.472 1.438 ( 11.695 0.000 -15.412) 19.347 1.545 ( 1.645 0.000 2.544) 3.030 1.586 ( 9.287 0.000 10.314) 13.878 1.895 ( 1.997 0.000 -6.747) 7.036 2.003 ( 3.362 0.000 4.267) 5.433 2.354 ( 5.810 0.000 0.799) 5.864 2.396 ( 9.498 0.000 1.151) 9.568 2.527 ( -3.060 0.000 -2.666) 4.059 2.638 ( 0.443 0.000 0.641) 0.779 2.832 ( 0.564 0.000 1.131) 1.264 3.013 ( 4.067 0.000 -0.800) 4.145 3.162 ( -0.219 0.000 -7.064) 7.067 3.218 ( -6.168 0.000 -4.057) 7.383 3.362 ( -4.611 0.000 -8.986) 10.100 3.447 ( -2.742 0.000 3.304) 4.294 3.541 ( -7.780 0.000 -0.097) 7.781 3.670 ( -6.355 0.000 0.484) 6.374 3.710 ( 0.803 0.000 5.926) 5.980 3.837 ( 5.244 0.000 16.168) 16.998 3.844 ( 2.473 0.000 2.464) 3.491 4.001 ( 4.011 0.000 1.411) 4.252 4.154 ( -1.114 0.000 -8.367) 8.441 4.241 ( 0.555 0.000 -1.101) 1.233 4.260 ( -4.429 0.000 -0.015) 4.429 4.320 ( 4.730 0.000 -2.756) 5.474 4.424 ( -2.282 0.000 -2.130) 3.122 4.518 ( 7.599 0.000 -4.616) 8.891 4.518 ( 2.307 0.000 3.431) 4.134 4.662 ( 1.960 0.000 -5.249) 5.603 4.694 ( 4.957 0.000 0.517) 4.984 4.734 ( 7.335 0.000 0.805) 7.379 4.929 ( 0.668 0.000 0.186) 0.694 5.098 ( 8.296 0.000 5.332) 9.862 5.152 ( -0.163 0.000 -0.780) 0.797 5.217 ( 3.913 0.000 -5.950) 7.121 5.274 ( 6.589 0.000 0.317) 6.597 5.380 ( 1.889 0.000 15.321) 15.437 5.476 ( -4.437 0.000 -9.612) 10.586 5.603 ( 2.535 0.000 3.446) 4.278 5.720 ( 5.024 0.000 3.089) 5.898 5.854 ( 8.233 0.000 -2.636) 8.644 5.862 ( -2.879 0.000 3.001) 4.158 5.894 ( 0.019 0.000 -0.000) 0.019 5.978 ( 5.291 0.000 -1.006) 5.386 6.060 ( 7.540 0.000 -5.082) 9.093 6.108 ( 2.747 0.000 -4.787) 5.519 6.115 ( 2.120 0.000 3.589) 4.168 6.247 ( 5.660 0.000 0.878) 5.727 6.356 ( 3.713 0.000 -6.406) 7.404 6.358 ( -1.058 0.000 16.549) 16.583 6.491 ( 16.693 0.000 -0.380) 16.697 6.629 ( 5.335 0.000 -0.419) 5.351 6.672 ( 5.502 0.000 -13.626) 14.695 6.801 ( -0.470 0.000 13.048) 13.056 6.831 ( 2.018 0.000 -1.196) 2.346 6.948 ( -3.956 0.000 -4.861) 6.268 6.995 ( -3.562 0.000 0.264) 3.572 7.049 ( 0.894 0.000 -2.409) 2.570 7.097 ( -2.386 0.000 5.103) 5.634 7.248 ( 4.621 0.000 -3.109) 5.569 7.346 ( 3.970 0.000 5.387) 6.692 7.371 ( 2.353 0.000 0.262) 2.367 7.385 ( 3.988 0.000 2.616) 4.770 7.477 ( 1.538 0.000 2.209) 2.692 7.537 ( 3.719 0.000 -2.175) 4.308 7.703 ( 7.029 0.000 5.365) 8.842 7.748 ( 5.549 0.000 -0.839) 5.612 7.862 ( -2.238 0.000 -3.212) 3.915 7.891 ( -2.821 0.000 5.792) 6.443 8.033 ( -0.032 0.000 -1.134) 1.135 8.043 ( 7.391 0.000 -1.994) 7.656 8.091 ( 3.829 0.000 3.523) 5.203 8.152 ( 1.170 0.000 -6.116) 6.227 8.174 ( 0.397 0.000 -0.045) 0.400 8.244 ( -2.658 0.000 3.062) 4.055 8.270 ( -0.654 0.000 2.855) 2.928 8.365 ( 4.446 0.000 -2.158) 4.942 8.514 ( -5.674 0.000 -2.089) 6.046 8.577 ( -2.241 0.000 0.232) 2.253 8.631 ( -0.613 0.000 0.854) 1.051 8.692 ( 4.920 0.000 0.636) 4.961 8.728 ( 1.706 0.000 0.483) 1.773 8.754 ( -0.222 0.000 2.250) 2.261 8.896 ( 0.978 0.000 -2.969) 3.126 8.978 ( -1.101 0.000 3.113) 3.302 9.136 ( -1.328 0.000 4.503) 4.695 9.161 ( -0.619 0.000 -6.487) 6.517 9.176 ( -0.183 0.000 5.714) 5.717 9.233 ( -3.678 0.000 -3.123) 4.826 9.249 ( -3.893 0.000 2.024) 4.387 9.288 ( -0.969 0.000 3.418) 3.553 9.410 ( -1.378 0.000 1.445) 1.997 9.411 ( -0.500 0.000 -1.107) 1.215 9.719 ( -4.237 0.000 1.022) 4.359 9.741 ( -2.317 0.000 -1.859) 2.971 9.800 ( -2.250 0.000 -3.673) 4.307 9.870 ( -1.006 0.000 1.748) 2.016 10.069 ( -5.343 0.000 -0.365) 5.356 10.074 ( -3.510 0.000 -3.333) 4.841 10.156 ( 0.197 0.000 -2.747) 2.754 10.207 ( 0.182 0.000 1.318) 1.330 10.423 ( -2.471 0.000 -6.392) 6.853 10.488 ( -3.531 0.000 3.018) 4.645 10.598 ( -5.876 0.000 -2.799) 6.508 10.854 ( 2.132 0.000 4.529) 5.006 10.887 ( -8.776 0.000 0.239) 8.779 11.051 ( -4.454 0.000 4.179) 6.108 11.148 ( -9.434 0.000 -0.224) 9.437 11.196 ( -9.565 0.000 -1.234) 9.645 11.340 ( -11.027 0.000 -0.938) 11.067 11.426 ( -4.309 0.000 -4.807) 6.456 11.953 ( -10.599 0.000 4.659) 11.578 12.028 ( -0.738 0.000 -2.510) 2.616 12.264 ( -3.487 0.000 -8.570) 9.252 12.281 ( 1.730 0.000 10.272) 10.416 12.356 ( 1.208 0.000 -2.799) 3.048 12.597 ( -9.197 0.000 1.682) 9.350 12.622 ( 8.680 0.000 -2.125) 8.936 13.110 ( 11.198 0.000 -7.650) 13.562 14.076 ( -1.438 0.000 -9.810) 9.915 14.221 ( -4.341 0.000 12.167) 12.918 14.372 ( -7.302 0.000 -1.517) 7.458 14.529 ( -1.852 0.000 3.302) 3.786 14.650 ( -3.403 0.000 4.201) 5.406 14.720 ( 2.732 0.000 -2.949) 4.020 14.932 ( -4.018 0.000 2.429) 4.695 14.943 ( 0.920 0.000 -6.188) 6.256 16.228 ( -0.204 0.000 7.622) 7.625 16.285 ( 6.982 0.000 -1.861) 7.226 16.402 ( -2.854 0.000 5.220) 5.949 16.518 ( 4.715 0.000 -0.128) 4.717 16.942 ( -0.176 0.000 -1.894) 1.902 17.013 ( 2.728 0.000 -0.731) 2.824 17.107 ( -2.439 0.000 4.467) 5.089 17.145 ( 2.475 0.000 -3.618) 4.384 17.439 ( -0.133 0.000 3.341) 3.343 17.445 ( 1.201 0.000 -0.683) 1.382 17.529 ( 0.123 0.000 -2.899) 2.901 17.557 ( -0.143 0.000 -0.578) 0.596 17.749 ( -4.391 0.000 4.960) 6.624 17.772 ( -1.704 0.000 -1.066) 2.010 17.790 ( -2.518 0.000 3.574) 4.372 17.807 ( 3.387 0.000 -5.605) 6.549 17.891 ( 0.057 0.000 1.161) 1.162 17.899 ( 0.654 0.000 1.898) 2.008 17.997 ( -2.953 0.000 -8.769) 9.253 18.075 ( -3.823 0.000 6.767) 7.773 18.237 ( -2.009 0.000 -0.072) 2.010 18.270 ( 0.600 0.000 -2.853) 2.916 18.465 ( -2.538 0.000 -1.225) 2.818 18.466 ( -1.040 0.000 -2.732) 2.924 18.630 ( -1.787 0.000 3.662) 4.075 18.659 ( 2.343 0.000 -2.656) 3.542 18.959 ( -3.009 0.000 -1.689) 3.450 18.991 ( -2.555 0.000 0.071) 2.556 20.149 ( 11.139 0.000 -0.413) 11.146 20.166 ( 10.607 0.000 -0.192) 10.608 20.197 ( 10.842 0.000 0.431) 10.851 20.217 ( 13.994 0.000 -1.832) 14.113 20.224 ( 11.640 0.000 0.353) 11.645 20.304 ( 22.702 0.000 6.060) 23.497 22.099 ( -3.643 0.000 -0.143) 3.645 22.107 ( -3.069 0.000 -0.431) 3.099 22.112 ( -3.235 0.000 -0.621) 3.294 22.150 ( -1.448 0.000 0.420) 1.508 22.208 ( -1.833 0.000 0.032) 1.834 22.237 ( 0.042 0.000 0.527) 0.529 27.036 ( 0.715 0.000 -1.868) 2.000 27.057 ( -0.009 0.000 2.050) 2.050 27.103 ( 0.172 0.000 -1.491) 1.501 27.107 ( -0.739 0.000 0.962) 1.213 27.631 ( -0.778 0.000 -1.871) 2.026 27.648 ( -1.404 0.000 1.690) 2.197 27.665 ( -0.943 0.000 0.011) 0.943 27.674 ( -0.738 0.000 0.311) 0.801 27.762 ( 0.471 0.000 -1.969) 2.025 27.784 ( 0.065 0.000 1.281) 1.283 28.036 ( -1.560 0.000 -0.609) 1.674 28.037 ( -1.736 0.000 -0.132) 1.741 36.606 ( 1.446 0.000 -1.967) 2.442 36.639 ( 1.410 0.000 2.362) 2.751 37.131 ( 0.347 0.000 -4.346) 4.360 37.157 ( 2.611 0.000 -3.908) 4.700 37.158 ( 1.708 0.000 1.319) 2.157 37.309 ( 1.952 0.000 1.390) 2.396 37.321 ( 5.684 0.000 1.688) 5.929 37.346 ( 1.867 0.000 0.678) 1.987 37.646 ( 0.219 0.000 -6.574) 6.578 37.666 ( 1.238 0.000 -4.011) 4.198 37.936 ( -2.799 0.000 -0.497) 2.843 38.081 ( 4.038 0.000 1.886) 4.457 38.182 ( 0.147 0.000 6.486) 6.488 38.212 ( 4.066 0.000 0.344) 4.080 38.240 ( -0.518 0.000 -6.062) 6.085 38.449 ( -0.701 0.000 15.274) 15.290 38.523 ( -2.124 0.000 -18.951) 19.069 38.859 ( -1.924 0.000 20.660) 20.750 40.253 ( -11.948 0.000 -12.633) 17.389 40.296 ( -10.149 0.000 -1.666) 10.285 40.463 ( -17.008 0.000 -0.370) 17.012 40.561 ( -14.679 0.000 5.172) 15.564 40.800 ( -28.953 0.000 -2.213) 29.038 40.975 ( -14.791 0.000 -0.749) 14.810 ======================= Grid point 158 (81/96) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 14.285 0.000 -18.120) 23.074 1.549 ( 6.646 0.000 -8.388) 10.702 1.741 ( 19.423 0.000 -8.620) 21.250 1.871 ( 11.165 0.000 5.215) 12.323 1.956 ( 5.393 0.000 12.533) 13.644 2.123 ( 8.867 0.000 1.254) 8.955 2.406 ( 2.231 0.000 -2.998) 3.737 2.567 ( 10.153 0.000 -6.986) 12.324 2.573 ( 8.734 0.000 -0.555) 8.752 2.624 ( -3.576 0.000 1.769) 3.990 2.923 ( 5.929 0.000 2.353) 6.379 2.935 ( -9.391 0.000 -9.901) 13.646 3.099 ( -2.958 0.000 -1.492) 3.313 3.123 ( -1.456 0.000 1.821) 2.332 3.225 ( 0.053 0.000 -11.543) 11.543 3.412 ( -1.407 0.000 2.131) 2.554 3.464 ( -1.029 0.000 3.785) 3.922 3.603 ( -4.034 0.000 4.170) 5.802 3.705 ( -5.324 0.000 2.563) 5.909 3.864 ( -3.277 0.000 2.523) 4.136 3.985 ( -5.935 0.000 -4.011) 7.163 4.065 ( -1.924 0.000 1.422) 2.392 4.107 ( -3.754 0.000 10.531) 11.180 4.155 ( 7.494 0.000 0.913) 7.550 4.272 ( -3.209 0.000 -2.714) 4.202 4.291 ( 3.042 0.000 4.487) 5.421 4.490 ( 6.735 0.000 -3.786) 7.727 4.604 ( 5.669 0.000 0.377) 5.682 4.615 ( 7.025 0.000 -5.126) 8.697 4.695 ( 4.793 0.000 -1.884) 5.150 4.732 ( 2.598 0.000 -3.173) 4.101 4.943 ( 13.406 0.000 -1.623) 13.504 4.974 ( 4.149 0.000 -0.391) 4.168 5.176 ( 2.372 0.000 6.860) 7.258 5.285 ( 4.577 0.000 2.300) 5.123 5.319 ( 12.024 0.000 1.582) 12.128 5.328 ( -2.291 0.000 -10.313) 10.565 5.424 ( 8.769 0.000 1.778) 8.948 5.518 ( 1.616 0.000 10.068) 10.197 5.696 ( 4.697 0.000 1.352) 4.887 5.843 ( -0.867 0.000 0.477) 0.989 5.868 ( 8.678 0.000 1.369) 8.785 5.907 ( 2.395 0.000 -2.220) 3.265 5.942 ( 6.280 0.000 -6.358) 8.936 6.070 ( -1.869 0.000 3.530) 3.994 6.111 ( 2.438 0.000 -0.759) 2.553 6.119 ( 7.820 0.000 2.152) 8.111 6.322 ( 16.617 0.000 -1.873) 16.722 6.373 ( 6.479 0.000 -1.938) 6.762 6.430 ( 4.900 0.000 5.321) 7.234 6.497 ( 6.226 0.000 9.919) 11.711 6.617 ( 4.269 0.000 -14.504) 15.119 6.706 ( -0.276 0.000 -3.405) 3.416 6.817 ( 15.449 0.000 3.466) 15.834 6.862 ( 3.492 0.000 0.687) 3.559 6.877 ( -1.484 0.000 1.283) 1.962 6.902 ( 5.986 0.000 -1.826) 6.258 7.043 ( 7.261 0.000 5.793) 9.289 7.100 ( 6.559 0.000 0.276) 6.565 7.127 ( 1.108 0.000 7.293) 7.377 7.269 ( 1.251 0.000 -4.849) 5.007 7.347 ( -3.101 0.000 5.604) 6.405 7.356 ( 1.714 0.000 -2.512) 3.042 7.550 ( 3.190 0.000 -9.053) 9.598 7.565 ( 10.223 0.000 2.129) 10.443 7.650 ( 9.203 0.000 6.585) 11.316 7.799 ( 2.148 0.000 -3.578) 4.174 7.858 ( 2.310 0.000 1.181) 2.594 7.880 ( -1.175 0.000 2.661) 2.909 7.970 ( 2.941 0.000 17.547) 17.792 8.039 ( 8.090 0.000 -2.509) 8.470 8.059 ( 0.666 0.000 -7.090) 7.121 8.159 ( 1.092 0.000 -5.265) 5.377 8.163 ( 2.409 0.000 -2.162) 3.237 8.245 ( -0.914 0.000 9.939) 9.981 8.255 ( 9.261 0.000 -3.129) 9.775 8.292 ( 0.093 0.000 3.509) 3.510 8.362 ( -6.855 0.000 2.902) 7.444 8.432 ( 3.531 0.000 -6.574) 7.463 8.536 ( -1.060 0.000 -1.847) 2.130 8.613 ( -2.282 0.000 3.024) 3.788 8.736 ( 0.944 0.000 -0.577) 1.107 8.765 ( 0.507 0.000 -1.412) 1.500 8.787 ( 0.086 0.000 3.167) 3.168 8.943 ( 4.687 0.000 1.402) 4.892 8.968 ( -1.978 0.000 5.317) 5.673 9.082 ( -6.762 0.000 -0.030) 6.762 9.139 ( 1.937 0.000 -6.713) 6.987 9.158 ( -4.765 0.000 1.378) 4.960 9.162 ( -4.046 0.000 5.586) 6.897 9.213 ( -2.287 0.000 3.470) 4.156 9.269 ( -3.749 0.000 2.030) 4.264 9.369 ( -3.029 0.000 -3.118) 4.347 9.396 ( -1.620 0.000 2.390) 2.887 9.652 ( -4.510 0.000 3.845) 5.927 9.660 ( -5.614 0.000 0.359) 5.626 9.732 ( -0.836 0.000 -6.248) 6.303 9.856 ( -2.001 0.000 3.385) 3.933 9.940 ( -7.739 0.000 -2.965) 8.288 9.995 ( -3.281 0.000 -0.980) 3.424 10.134 ( 0.786 0.000 -4.267) 4.339 10.175 ( -5.141 0.000 0.426) 5.159 10.297 ( -5.205 0.000 -9.734) 11.038 10.379 ( -11.371 0.000 1.153) 11.430 10.526 ( -0.733 0.000 -0.834) 1.110 10.713 ( -12.314 0.000 2.555) 12.576 10.782 ( -18.935 0.000 1.483) 18.993 10.917 ( -1.527 0.000 0.289) 1.555 10.989 ( -12.142 0.000 3.752) 12.709 11.014 ( -9.780 0.000 -1.796) 9.943 11.114 ( -13.455 0.000 -1.792) 13.574 11.358 ( -0.697 0.000 0.750) 1.024 11.766 ( -12.314 0.000 -1.468) 12.402 11.920 ( -14.829 0.000 -12.339) 19.291 11.977 ( -2.807 0.000 -3.125) 4.201 12.374 ( 0.113 0.000 5.354) 5.355 12.465 ( 7.645 0.000 1.736) 7.839 12.640 ( 4.508 0.000 7.265) 8.550 12.702 ( 3.535 0.000 -3.963) 5.310 13.173 ( 3.883 0.000 -9.050) 9.848 14.007 ( 0.304 0.000 -5.124) 5.134 14.208 ( -5.843 0.000 9.164) 10.869 14.245 ( -4.676 0.000 -2.769) 5.435 14.490 ( -5.291 0.000 4.106) 6.697 14.629 ( -3.020 0.000 5.682) 6.435 14.732 ( 1.756 0.000 -4.330) 4.672 14.860 ( -5.158 0.000 0.860) 5.229 14.903 ( 0.202 0.000 -7.117) 7.120 16.307 ( 1.496 0.000 9.571) 9.687 16.411 ( 7.736 0.000 -0.361) 7.744 16.416 ( -1.040 0.000 7.591) 7.662 16.588 ( 3.462 0.000 -0.874) 3.571 16.940 ( 0.831 0.000 -0.028) 0.831 17.048 ( 3.297 0.000 -4.749) 5.781 17.103 ( -1.504 0.000 3.667) 3.964 17.150 ( 1.187 0.000 -3.602) 3.793 17.437 ( -0.233 0.000 -2.461) 2.472 17.472 ( 0.697 0.000 3.792) 3.855 17.541 ( -0.520 0.000 -2.159) 2.221 17.542 ( 1.692 0.000 0.596) 1.794 17.704 ( -4.803 0.000 5.200) 7.079 17.731 ( -0.367 0.000 -3.825) 3.842 17.768 ( -3.759 0.000 5.368) 6.553 17.816 ( 2.580 0.000 -6.506) 6.999 17.880 ( -2.263 0.000 -6.806) 7.172 17.900 ( -0.387 0.000 2.259) 2.292 17.936 ( 0.283 0.000 5.163) 5.171 18.063 ( -2.622 0.000 5.571) 6.157 18.200 ( -1.456 0.000 -1.435) 2.044 18.246 ( -0.264 0.000 -4.328) 4.336 18.392 ( -3.422 0.000 -3.749) 5.076 18.419 ( -1.522 0.000 -3.710) 4.010 18.630 ( -1.650 0.000 4.273) 4.580 18.678 ( 2.183 0.000 -3.111) 3.801 18.892 ( -2.419 0.000 -2.827) 3.721 18.936 ( -3.229 0.000 -0.145) 3.232 20.395 ( 16.913 0.000 -1.104) 16.949 20.403 ( 16.683 0.000 -1.302) 16.734 20.472 ( 18.666 0.000 1.912) 18.764 20.481 ( 18.809 0.000 -4.415) 19.321 20.523 ( 19.601 0.000 2.161) 19.720 20.880 ( 28.683 0.000 18.396) 34.075 22.006 ( -6.812 0.000 -0.268) 6.817 22.020 ( -6.541 0.000 -0.444) 6.557 22.025 ( -6.282 0.000 -0.472) 6.299 22.104 ( -4.141 0.000 0.200) 4.146 22.159 ( -3.881 0.000 0.081) 3.882 22.239 ( -0.320 0.000 0.508) 0.600 27.041 ( 1.251 0.000 -1.598) 2.029 27.070 ( -0.170 0.000 1.848) 1.856 27.094 ( 0.174 0.000 -1.759) 1.768 27.098 ( -1.071 0.000 0.944) 1.427 27.603 ( -1.038 0.000 -0.776) 1.296 27.630 ( -1.719 0.000 1.182) 2.086 27.646 ( -0.787 0.000 -0.872) 1.175 27.655 ( -1.649 0.000 0.506) 1.725 27.764 ( 1.207 0.000 -1.282) 1.761 27.794 ( 0.206 0.000 0.930) 0.953 27.995 ( -2.717 0.000 -0.374) 2.743 27.995 ( -2.301 0.000 -0.962) 2.494 36.633 ( 2.987 0.000 -1.094) 3.181 36.693 ( 2.494 0.000 2.763) 3.722 37.103 ( 0.688 0.000 -4.749) 4.798 37.205 ( 5.322 0.000 -3.059) 6.139 37.207 ( 2.588 0.000 0.551) 2.646 37.327 ( 1.961 0.000 -1.270) 2.337 37.363 ( 0.812 0.000 -6.083) 6.137 37.497 ( 9.396 0.000 2.748) 9.790 37.618 ( 3.449 0.000 -4.959) 6.040 37.668 ( 3.250 0.000 -4.492) 5.544 37.896 ( -1.979 0.000 0.898) 2.173 38.138 ( 1.116 0.000 -2.716) 2.936 38.199 ( -1.565 0.000 5.678) 5.890 38.289 ( 4.763 0.000 -2.947) 5.601 38.295 ( 5.656 0.000 3.946) 6.897 38.390 ( 2.727 0.000 -8.657) 9.077 38.549 ( -1.354 0.000 14.697) 14.759 38.943 ( -4.929 0.000 18.225) 18.880 39.705 ( -34.987 0.000 -26.432) 43.849 40.021 ( -23.165 0.000 -12.792) 26.463 40.041 ( -16.205 0.000 -3.525) 16.584 40.244 ( -24.925 0.000 6.416) 25.737 40.298 ( -24.660 0.000 1.955) 24.737 40.613 ( -25.324 0.000 -0.758) 25.335 ======================= Grid point 159 (82/96) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 6.284 0.000 -12.453) 13.949 1.686 ( 16.867 0.000 -10.062) 19.641 1.932 ( 10.860 0.000 -3.619) 11.447 1.994 ( 4.129 0.000 -3.225) 5.239 2.232 ( 8.691 0.000 12.956) 15.601 2.325 ( 9.746 0.000 -2.768) 10.131 2.442 ( 3.428 0.000 -1.404) 3.705 2.500 ( -8.222 0.000 -5.991) 10.173 2.617 ( -2.944 0.000 -0.503) 2.986 2.622 ( -0.698 0.000 -3.552) 3.620 2.793 ( 2.255 0.000 -1.085) 2.502 3.025 ( 7.108 0.000 -4.959) 8.667 3.075 ( -0.517 0.000 -1.252) 1.354 3.093 ( -3.640 0.000 4.033) 5.432 3.239 ( 10.081 0.000 -8.704) 13.319 3.439 ( -1.333 0.000 -1.279) 1.847 3.516 ( 3.137 0.000 7.259) 7.907 3.613 ( -4.953 0.000 3.740) 6.206 3.617 ( 1.128 0.000 8.173) 8.250 3.733 ( -10.569 0.000 -0.620) 10.588 3.897 ( -5.115 0.000 -9.176) 10.505 3.907 ( -0.604 0.000 -0.542) 0.812 4.137 ( -4.572 0.000 10.508) 11.460 4.187 ( -3.017 0.000 3.377) 4.528 4.322 ( 3.440 0.000 -0.676) 3.506 4.446 ( 4.588 0.000 7.648) 8.919 4.550 ( 5.419 0.000 -1.880) 5.736 4.638 ( -0.594 0.000 -5.702) 5.733 4.702 ( 4.793 0.000 -0.698) 4.844 4.795 ( 7.738 0.000 -2.124) 8.024 4.813 ( 9.441 0.000 0.192) 9.443 5.045 ( 4.666 0.000 -2.529) 5.308 5.117 ( 8.450 0.000 -3.222) 9.044 5.268 ( 2.688 0.000 -4.876) 5.567 5.320 ( 1.605 0.000 12.309) 12.413 5.393 ( 4.385 0.000 4.611) 6.363 5.491 ( 3.735 0.000 0.937) 3.851 5.577 ( 4.953 0.000 -0.541) 4.983 5.602 ( 9.816 0.000 0.278) 9.820 5.749 ( 4.139 0.000 -4.151) 5.861 5.824 ( -1.606 0.000 -1.138) 1.968 5.932 ( 3.166 0.000 -3.680) 4.854 6.005 ( 5.861 0.000 -3.625) 6.891 6.037 ( 7.701 0.000 -1.474) 7.841 6.081 ( -0.709 0.000 9.806) 9.832 6.185 ( 6.749 0.000 0.160) 6.751 6.289 ( 4.957 0.000 5.702) 7.555 6.389 ( -1.925 0.000 -5.887) 6.194 6.480 ( 3.202 0.000 2.142) 3.853 6.558 ( -5.871 0.000 -4.030) 7.121 6.609 ( 12.494 0.000 -0.729) 12.515 6.723 ( 9.176 0.000 6.698) 11.360 6.741 ( 9.067 0.000 0.378) 9.075 6.837 ( 1.740 0.000 -3.924) 4.292 6.893 ( 2.502 0.000 3.543) 4.337 7.055 ( 8.249 0.000 -3.963) 9.152 7.138 ( 12.597 0.000 5.905) 13.912 7.205 ( 3.587 0.000 -1.833) 4.028 7.211 ( 9.615 0.000 1.079) 9.675 7.229 ( 1.207 0.000 4.007) 4.185 7.336 ( 12.924 0.000 -2.611) 13.185 7.351 ( 2.411 0.000 1.466) 2.822 7.439 ( 8.849 0.000 1.008) 8.906 7.551 ( 5.370 0.000 -8.114) 9.730 7.751 ( 0.452 0.000 1.047) 1.141 7.769 ( 7.316 0.000 8.148) 10.950 7.808 ( -2.517 0.000 -6.358) 6.839 7.848 ( -0.908 0.000 -0.965) 1.325 7.919 ( 5.473 0.000 1.159) 5.594 8.034 ( -5.076 0.000 -5.592) 7.552 8.064 ( 3.005 0.000 3.696) 4.763 8.075 ( 5.622 0.000 -1.711) 5.877 8.171 ( -3.392 0.000 3.526) 4.893 8.185 ( 0.312 0.000 2.111) 2.134 8.281 ( -1.309 0.000 0.805) 1.537 8.289 ( -1.748 0.000 -0.606) 1.850 8.365 ( 4.048 0.000 9.475) 10.304 8.441 ( 12.399 0.000 -2.727) 12.695 8.491 ( 5.264 0.000 -0.215) 5.268 8.508 ( -0.318 0.000 -1.746) 1.774 8.598 ( -2.882 0.000 2.911) 4.096 8.731 ( -0.530 0.000 -3.321) 3.363 8.750 ( -1.071 0.000 -2.613) 2.824 8.757 ( -2.060 0.000 0.552) 2.132 8.944 ( -7.316 0.000 4.697) 8.694 9.009 ( -0.365 0.000 -0.193) 0.413 9.022 ( 1.975 0.000 0.101) 1.978 9.073 ( -3.893 0.000 3.628) 5.321 9.116 ( -2.637 0.000 -0.500) 2.684 9.164 ( -4.790 0.000 8.058) 9.374 9.194 ( 2.279 0.000 1.471) 2.712 9.197 ( -4.304 0.000 -2.936) 5.210 9.286 ( -1.800 0.000 -1.542) 2.370 9.405 ( 0.654 0.000 3.201) 3.267 9.535 ( -8.881 0.000 1.306) 8.977 9.604 ( -4.801 0.000 2.123) 5.249 9.731 ( 3.375 0.000 -0.634) 3.434 9.772 ( -8.198 0.000 -1.775) 8.388 9.885 ( 0.425 0.000 4.802) 4.820 9.941 ( -2.664 0.000 -0.612) 2.734 10.040 ( -9.232 0.000 0.846) 9.271 10.104 ( -12.412 0.000 -6.174) 13.863 10.130 ( -4.114 0.000 -7.857) 8.869 10.144 ( -2.243 0.000 -0.050) 2.243 10.417 ( -19.785 0.000 -2.921) 19.999 10.468 ( -9.705 0.000 -4.280) 10.607 10.544 ( -6.493 0.000 6.183) 8.966 10.768 ( -14.439 0.000 -0.352) 14.443 10.824 ( -9.570 0.000 -4.323) 10.501 10.893 ( -1.773 0.000 -4.283) 4.636 10.932 ( -6.398 0.000 10.938) 12.672 11.350 ( -2.689 0.000 -3.664) 4.545 11.522 ( -7.601 0.000 -1.850) 7.823 11.727 ( -4.053 0.000 -2.173) 4.599 11.878 ( -4.563 0.000 -6.146) 7.654 12.288 ( -11.039 0.000 -3.331) 11.531 12.626 ( 7.346 0.000 5.862) 9.398 12.747 ( 4.944 0.000 -1.310) 5.114 12.777 ( 3.219 0.000 9.780) 10.296 13.147 ( 1.019 0.000 -8.215) 8.278 14.006 ( 1.827 0.000 -1.481) 2.352 14.159 ( -5.640 0.000 5.244) 7.701 14.179 ( 0.718 0.000 -5.513) 5.560 14.415 ( -6.540 0.000 4.248) 7.799 14.633 ( -2.097 0.000 7.420) 7.711 14.720 ( 1.377 0.000 -6.040) 6.195 14.778 ( -4.786 0.000 1.136) 4.919 14.847 ( -0.327 0.000 -7.497) 7.504 16.411 ( 1.571 0.000 10.605) 10.721 16.470 ( -0.160 0.000 9.131) 9.132 16.531 ( 6.213 0.000 -1.562) 6.406 16.624 ( 2.555 0.000 -3.703) 4.498 16.968 ( 1.094 0.000 2.575) 2.798 17.053 ( 2.706 0.000 -7.624) 8.089 17.106 ( -1.005 0.000 2.762) 2.939 17.140 ( 1.304 0.000 -4.422) 4.610 17.431 ( 1.057 0.000 -0.474) 1.159 17.502 ( 0.148 0.000 -2.514) 2.518 17.522 ( 0.402 0.000 2.292) 2.327 17.550 ( -2.356 0.000 2.217) 3.235 17.664 ( -4.381 0.000 5.793) 7.262 17.719 ( 4.022 0.000 -9.494) 10.311 17.741 ( -4.090 0.000 6.459) 7.645 17.797 ( 1.483 0.000 -7.280) 7.430 17.838 ( 0.321 0.000 0.743) 0.809 17.919 ( 0.136 0.000 3.907) 3.909 17.988 ( -0.114 0.000 7.913) 7.914 18.064 ( -1.424 0.000 3.740) 4.002 18.170 ( -0.341 0.000 -2.238) 2.264 18.198 ( -0.912 0.000 -5.783) 5.855 18.296 ( -3.397 0.000 -5.716) 6.649 18.358 ( -2.169 0.000 -3.949) 4.505 18.636 ( -1.465 0.000 4.667) 4.892 18.687 ( 1.794 0.000 -3.981) 4.367 18.841 ( -0.802 0.000 -2.823) 2.935 18.885 ( -2.469 0.000 0.101) 2.471 20.708 ( 19.461 0.000 -1.345) 19.507 20.714 ( 19.504 0.000 -1.553) 19.566 20.788 ( 19.787 0.000 -4.736) 20.345 20.842 ( 20.789 0.000 2.690) 20.962 20.907 ( 21.025 0.000 3.128) 21.256 21.454 ( 18.091 0.000 19.400) 26.526 21.854 ( -10.400 0.000 -0.111) 10.401 21.871 ( -10.314 0.000 -0.168) 10.315 21.892 ( -8.374 0.000 0.994) 8.433 22.005 ( -7.233 0.000 -0.127) 7.234 22.069 ( -6.583 0.000 0.020) 6.583 22.230 ( -0.852 0.000 -0.332) 0.914 27.054 ( 1.560 0.000 -1.439) 2.123 27.078 ( -0.522 0.000 1.763) 1.839 27.084 ( 0.278 0.000 -1.899) 1.920 27.086 ( -1.001 0.000 1.171) 1.540 27.588 ( -0.464 0.000 0.159) 0.491 27.609 ( -1.440 0.000 0.946) 1.723 27.627 ( -0.375 0.000 -1.265) 1.320 27.630 ( -1.549 0.000 0.507) 1.630 27.784 ( 1.701 0.000 -0.397) 1.747 27.806 ( 0.444 0.000 0.685) 0.817 27.942 ( -2.845 0.000 -0.507) 2.890 27.947 ( -2.302 0.000 -0.992) 2.507 36.698 ( 4.625 0.000 1.023) 4.737 36.766 ( 3.122 0.000 3.615) 4.776 37.088 ( 1.075 0.000 -3.501) 3.662 37.240 ( 0.740 0.000 -0.665) 0.995 37.258 ( -0.444 0.000 -8.817) 8.828 37.305 ( 4.357 0.000 -5.042) 6.664 37.356 ( 1.705 0.000 -0.291) 1.729 37.546 ( -2.059 0.000 -9.592) 9.811 37.716 ( 8.420 0.000 0.575) 8.440 37.797 ( 11.183 0.000 -0.428) 11.192 37.881 ( -0.724 0.000 1.952) 2.082 38.103 ( 3.273 0.000 -6.325) 7.122 38.248 ( 1.022 0.000 8.293) 8.355 38.358 ( 5.847 0.000 -1.841) 6.130 38.452 ( 8.072 0.000 5.701) 9.882 38.458 ( 6.413 0.000 -2.519) 6.890 38.648 ( 4.472 0.000 7.163) 8.444 38.929 ( -25.036 0.000 -22.956) 33.967 38.960 ( -6.675 0.000 14.224) 15.712 39.545 ( -20.773 0.000 -11.141) 23.572 39.687 ( -20.681 0.000 -4.507) 21.166 39.831 ( -26.833 0.000 6.844) 27.692 39.886 ( -24.284 0.000 0.962) 24.303 40.107 ( -29.092 0.000 -4.305) 29.409 ======================= Grid point 160 (83/96) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 8.135 0.000 -5.828) 10.007 1.886 ( 6.871 0.000 -4.330) 8.122 2.041 ( 6.049 0.000 -3.623) 7.051 2.086 ( 9.093 0.000 -4.082) 9.967 2.202 ( -6.171 0.000 -5.723) 8.416 2.294 ( -4.764 0.000 -1.941) 5.144 2.422 ( -2.875 0.000 -4.679) 5.491 2.472 ( -1.324 0.000 0.336) 1.366 2.647 ( 4.514 0.000 3.327) 5.608 2.666 ( 4.447 0.000 5.247) 6.878 2.866 ( 2.997 0.000 4.917) 5.758 3.011 ( -0.028 0.000 -4.333) 4.333 3.053 ( -1.721 0.000 -4.827) 5.124 3.089 ( 0.720 0.000 1.723) 1.867 3.334 ( -5.706 0.000 -2.670) 6.300 3.384 ( 8.946 0.000 -3.279) 9.528 3.510 ( -12.485 0.000 2.669) 12.767 3.589 ( -6.335 0.000 2.159) 6.693 3.690 ( 4.781 0.000 7.507) 8.900 3.713 ( 9.707 0.000 3.649) 10.370 3.851 ( 5.416 0.000 -6.090) 8.150 3.947 ( 5.162 0.000 -0.471) 5.184 4.132 ( -4.573 0.000 7.887) 9.117 4.165 ( -6.823 0.000 6.707) 9.567 4.274 ( 1.023 0.000 -6.816) 6.893 4.499 ( -4.238 0.000 1.178) 4.399 4.575 ( 0.407 0.000 -2.084) 2.123 4.676 ( 4.101 0.000 -2.498) 4.802 4.759 ( 4.336 0.000 3.722) 5.715 4.911 ( 5.098 0.000 -0.721) 5.148 5.002 ( 10.175 0.000 1.866) 10.345 5.101 ( 4.280 0.000 -2.661) 5.040 5.195 ( 2.791 0.000 -4.165) 5.014 5.293 ( -8.999 0.000 4.804) 10.201 5.347 ( 6.882 0.000 1.641) 7.075 5.494 ( 4.171 0.000 1.417) 4.405 5.508 ( 0.717 0.000 -1.247) 1.439 5.638 ( -1.784 0.000 -2.593) 3.147 5.738 ( 6.385 0.000 -4.026) 7.548 5.798 ( -1.199 0.000 2.944) 3.179 5.876 ( 10.290 0.000 2.046) 10.491 5.958 ( 2.615 0.000 -2.834) 3.856 6.044 ( 1.533 0.000 1.302) 2.011 6.088 ( -0.311 0.000 -4.659) 4.669 6.173 ( 1.525 0.000 7.487) 7.640 6.268 ( 2.175 0.000 -4.007) 4.560 6.333 ( 3.029 0.000 1.483) 3.373 6.396 ( 3.204 0.000 1.599) 3.581 6.415 ( -5.183 0.000 -0.791) 5.243 6.603 ( 6.541 0.000 1.658) 6.748 6.708 ( -3.843 0.000 0.979) 3.966 6.783 ( 3.964 0.000 1.855) 4.377 6.855 ( -1.693 0.000 1.233) 2.095 6.932 ( 0.168 0.000 -2.901) 2.906 6.984 ( 8.809 0.000 1.718) 8.975 7.151 ( 8.186 0.000 -3.109) 8.757 7.238 ( 5.553 0.000 -0.766) 5.605 7.296 ( 1.968 0.000 7.022) 7.293 7.306 ( 4.514 0.000 -3.010) 5.425 7.342 ( 4.573 0.000 -2.191) 5.070 7.472 ( 9.716 0.000 -5.717) 11.273 7.570 ( 13.377 0.000 -1.061) 13.419 7.606 ( 4.365 0.000 -3.106) 5.357 7.647 ( 7.527 0.000 0.911) 7.582 7.687 ( -1.652 0.000 -2.441) 2.948 7.770 ( 2.910 0.000 -1.396) 3.228 7.805 ( -2.141 0.000 4.890) 5.338 7.922 ( -0.974 0.000 -5.851) 5.931 7.959 ( -1.414 0.000 3.115) 3.421 7.973 ( 8.118 0.000 0.283) 8.123 8.049 ( -3.805 0.000 -1.391) 4.051 8.088 ( -9.318 0.000 7.232) 11.795 8.225 ( 3.120 0.000 6.829) 7.508 8.240 ( 6.372 0.000 1.053) 6.458 8.269 ( -0.388 0.000 -0.922) 1.001 8.356 ( 9.562 0.000 -3.463) 10.169 8.423 ( -1.588 0.000 7.824) 7.983 8.475 ( -5.004 0.000 -6.423) 8.142 8.523 ( 1.796 0.000 2.721) 3.261 8.554 ( 1.351 0.000 -2.263) 2.636 8.599 ( -4.820 0.000 5.914) 7.630 8.691 ( 2.287 0.000 -2.754) 3.580 8.737 ( 1.802 0.000 3.190) 3.664 8.743 ( 0.932 0.000 -6.791) 6.855 8.863 ( -4.049 0.000 4.468) 6.030 8.946 ( -3.170 0.000 -10.022) 10.511 8.995 ( -3.608 0.000 1.302) 3.836 9.046 ( -5.613 0.000 -3.092) 6.408 9.097 ( 4.254 0.000 1.552) 4.529 9.145 ( 3.797 0.000 2.189) 4.382 9.209 ( -0.204 0.000 5.769) 5.772 9.230 ( 0.533 0.000 1.432) 1.528 9.292 ( -0.989 0.000 3.377) 3.519 9.361 ( -8.008 0.000 0.565) 8.028 9.513 ( 2.569 0.000 7.426) 7.858 9.526 ( -3.936 0.000 1.354) 4.163 9.652 ( -3.890 0.000 -0.098) 3.891 9.734 ( -4.781 0.000 -4.792) 6.769 9.778 ( -8.118 0.000 -3.256) 8.747 9.856 ( -5.880 0.000 -4.844) 7.618 9.910 ( 0.075 0.000 1.592) 1.594 10.002 ( 2.795 0.000 -6.100) 6.710 10.027 ( -11.354 0.000 -0.590) 11.369 10.108 ( -1.091 0.000 11.025) 11.079 10.208 ( -1.957 0.000 -1.681) 2.580 10.237 ( -14.269 0.000 1.125) 14.313 10.422 ( -4.728 0.000 -5.642) 7.361 10.547 ( -9.490 0.000 0.364) 9.497 10.710 ( -3.223 0.000 3.256) 4.582 10.800 ( -3.367 0.000 -7.508) 8.228 10.981 ( 0.551 0.000 11.509) 11.522 11.209 ( -3.459 0.000 -11.017) 11.548 11.511 ( 0.216 0.000 7.148) 7.151 11.693 ( 0.216 0.000 2.075) 2.086 11.737 ( -5.041 0.000 -8.056) 9.503 12.013 ( -13.624 0.000 -6.582) 15.131 12.798 ( 5.960 0.000 7.592) 9.652 12.834 ( 5.720 0.000 -2.759) 6.350 12.883 ( 0.099 0.000 10.784) 10.784 13.088 ( -0.922 0.000 -8.530) 8.579 14.028 ( 0.774 0.000 0.879) 1.171 14.098 ( -3.879 0.000 1.428) 4.134 14.187 ( 5.413 0.000 -7.347) 9.126 14.329 ( -7.025 0.000 4.978) 8.610 14.665 ( -1.129 0.000 8.738) 8.811 14.698 ( 1.709 0.000 -6.479) 6.700 14.718 ( -3.568 0.000 2.625) 4.429 14.784 ( -0.388 0.000 -7.835) 7.844 16.510 ( 0.579 0.000 10.520) 10.536 16.538 ( -0.251 0.000 9.567) 9.570 16.592 ( 3.547 0.000 -5.392) 6.454 16.625 ( 1.995 0.000 -6.438) 6.740 17.009 ( 0.240 0.000 4.776) 4.782 17.043 ( 2.519 0.000 -6.705) 7.162 17.108 ( -0.920 0.000 2.285) 2.463 17.128 ( 1.089 0.000 -4.663) 4.788 17.456 ( 0.763 0.000 1.318) 1.523 17.475 ( 0.772 0.000 -4.903) 4.963 17.519 ( -2.133 0.000 2.372) 3.190 17.547 ( -0.849 0.000 2.541) 2.679 17.645 ( -2.617 0.000 6.498) 7.005 17.701 ( 2.566 0.000 -10.231) 10.547 17.727 ( -3.277 0.000 7.466) 8.153 17.767 ( 1.565 0.000 -8.135) 8.284 17.897 ( 3.353 0.000 4.244) 5.409 17.964 ( 0.779 0.000 5.367) 5.423 18.041 ( -0.842 0.000 8.077) 8.121 18.064 ( -0.811 0.000 1.621) 1.813 18.131 ( -1.033 0.000 -7.042) 7.118 18.150 ( -1.338 0.000 -1.697) 2.161 18.205 ( -0.329 0.000 -6.291) 6.300 18.287 ( -2.803 0.000 -3.069) 4.157 18.648 ( -1.237 0.000 4.973) 5.125 18.681 ( 1.332 0.000 -4.866) 5.045 18.823 ( 0.602 0.000 -1.895) 1.988 18.851 ( -1.783 0.000 0.552) 1.867 21.042 ( 19.299 0.000 -1.062) 19.329 21.047 ( 19.276 0.000 -1.069) 19.306 21.096 ( 18.547 0.000 -3.385) 18.853 21.209 ( 18.121 0.000 2.315) 18.269 21.272 ( 17.353 0.000 2.119) 17.482 21.618 ( -9.857 0.000 2.048) 10.067 21.642 ( -13.857 0.000 0.495) 13.866 21.659 ( -13.794 0.000 0.630) 13.808 21.850 ( -9.890 0.000 -0.501) 9.903 21.865 ( -2.359 0.000 3.566) 4.276 21.970 ( -0.654 0.000 8.073) 8.100 22.197 ( -1.905 0.000 -2.734) 3.332 27.071 ( 1.431 0.000 -1.631) 2.169 27.074 ( -0.965 0.000 1.501) 1.785 27.077 ( 0.511 0.000 -1.743) 1.816 27.085 ( -0.660 0.000 1.774) 1.893 27.586 ( -0.107 0.000 0.393) 0.407 27.596 ( -0.669 0.000 0.302) 0.734 27.612 ( -1.137 0.000 1.167) 1.630 27.615 ( 0.066 0.000 -1.425) 1.426 27.815 ( 1.967 0.000 0.056) 1.968 27.821 ( 0.837 0.000 0.625) 1.045 27.892 ( -2.350 0.000 -0.431) 2.389 27.901 ( -2.096 0.000 -0.842) 2.259 36.816 ( 6.509 0.000 4.811) 8.094 36.856 ( 3.439 0.000 5.157) 6.199 37.067 ( -1.291 0.000 -6.080) 6.215 37.169 ( 0.132 0.000 -4.323) 4.325 37.198 ( -5.070 0.000 -3.642) 6.242 37.325 ( -5.523 0.000 -8.924) 10.495 37.374 ( 4.154 0.000 -2.092) 4.651 37.410 ( 0.382 0.000 -4.912) 4.927 37.831 ( 0.280 0.000 3.757) 3.767 37.868 ( 1.731 0.000 -6.883) 7.097 37.969 ( 12.286 0.000 0.101) 12.286 38.278 ( 15.619 0.000 -1.985) 15.745 38.340 ( 1.110 0.000 9.827) 9.889 38.467 ( 0.688 0.000 4.936) 4.983 38.521 ( -0.600 0.000 -11.521) 11.537 38.587 ( 8.950 0.000 -3.709) 9.688 38.656 ( 8.302 0.000 8.378) 11.794 38.831 ( 10.718 0.000 2.634) 11.037 38.939 ( -3.733 0.000 7.752) 8.604 39.174 ( -12.026 0.000 -6.115) 13.491 39.268 ( -22.125 0.000 -5.155) 22.717 39.411 ( -27.832 0.000 7.562) 28.841 39.474 ( -22.597 0.000 0.526) 22.603 39.587 ( -22.522 0.000 -9.195) 24.326 ======================= Grid point 161 (84/96) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -9.505 0.000 -3.057) 9.985 1.778 ( 9.505 0.000 3.057) 9.985 2.112 ( -2.960 0.000 -2.004) 3.575 2.112 ( 2.960 0.000 2.004) 3.575 2.250 ( -0.451 0.000 -3.416) 3.446 2.250 ( 0.451 0.000 3.416) 3.446 2.369 ( -5.304 0.000 1.433) 5.494 2.369 ( 5.304 0.000 -1.433) 5.494 2.722 ( 1.717 0.000 -1.915) 2.572 2.722 ( -1.717 0.000 1.915) 2.572 2.962 ( -2.707 0.000 -6.948) 7.457 2.962 ( 2.707 0.000 6.948) 7.457 3.060 ( -6.132 0.000 1.151) 6.239 3.060 ( 6.132 0.000 -1.151) 6.239 3.327 ( 9.883 0.000 -5.594) 11.356 3.327 ( -9.883 0.000 5.594) 11.356 3.486 ( -4.609 0.000 -1.089) 4.736 3.486 ( 4.609 0.000 1.089) 4.736 3.819 ( -2.511 0.000 -3.049) 3.950 3.819 ( 2.511 0.000 3.049) 3.950 3.950 ( 10.788 0.000 -4.047) 11.523 3.950 ( -10.788 0.000 4.047) 11.523 4.090 ( 4.669 0.000 -6.032) 7.628 4.090 ( -4.669 0.000 6.032) 7.628 4.365 ( -7.466 0.000 -3.351) 8.183 4.365 ( 7.466 0.000 3.351) 8.183 4.624 ( -1.987 0.000 -6.244) 6.552 4.624 ( 1.987 0.000 6.244) 6.552 4.907 ( -3.531 0.000 -6.324) 7.243 4.907 ( 3.531 0.000 6.324) 7.243 5.158 ( -2.876 0.000 -1.435) 3.214 5.158 ( 2.876 0.000 1.435) 3.214 5.166 ( -7.895 0.000 0.721) 7.928 5.166 ( 7.895 0.000 -0.721) 7.928 5.485 ( -5.146 0.000 -1.089) 5.260 5.485 ( 5.146 0.000 1.089) 5.260 5.553 ( -2.509 0.000 -1.847) 3.116 5.553 ( 2.509 0.000 1.847) 3.116 5.782 ( 3.673 0.000 -4.510) 5.816 5.782 ( -3.673 0.000 4.510) 5.816 5.979 ( 1.525 0.000 -3.046) 3.406 5.979 ( -1.525 0.000 3.046) 3.406 6.068 ( 2.216 0.000 -4.344) 4.877 6.068 ( -2.216 0.000 4.344) 4.877 6.230 ( -1.100 0.000 -3.967) 4.117 6.230 ( 1.100 0.000 3.967) 4.117 6.381 ( 0.771 0.000 -1.887) 2.039 6.381 ( -0.771 0.000 1.887) 2.039 6.541 ( -11.658 0.000 -2.466) 11.916 6.541 ( 11.658 0.000 2.466) 11.916 6.719 ( -7.019 0.000 -1.773) 7.239 6.719 ( 7.019 0.000 1.773) 7.239 6.915 ( -4.178 0.000 -3.633) 5.537 6.915 ( 4.178 0.000 3.633) 5.537 7.129 ( -4.325 0.000 -5.647) 7.113 7.129 ( 4.325 0.000 5.647) 7.113 7.310 ( -1.048 0.000 -2.691) 2.888 7.310 ( 1.048 0.000 2.691) 2.888 7.383 ( 3.572 0.000 -5.025) 6.165 7.383 ( -3.572 0.000 5.025) 6.165 7.565 ( -4.512 0.000 0.451) 4.534 7.565 ( 4.512 0.000 -0.451) 4.534 7.654 ( 4.000 0.000 -1.952) 4.450 7.654 ( -4.000 0.000 1.952) 4.450 7.798 ( -1.331 0.000 0.395) 1.388 7.798 ( 1.331 0.000 -0.395) 1.388 7.878 ( -7.257 0.000 -5.258) 8.961 7.878 ( 7.257 0.000 5.258) 8.961 7.948 ( 2.751 0.000 -2.347) 3.616 7.948 ( -2.751 0.000 2.347) 3.616 8.065 ( -3.461 0.000 -3.465) 4.897 8.065 ( 3.461 0.000 3.465) 4.897 8.239 ( -4.721 0.000 -0.536) 4.751 8.239 ( 4.721 0.000 0.536) 4.751 8.353 ( -7.417 0.000 -2.281) 7.760 8.353 ( 7.417 0.000 2.281) 7.760 8.450 ( 4.539 0.000 -3.509) 5.737 8.450 ( -4.539 0.000 3.509) 5.737 8.566 ( 1.917 0.000 -6.041) 6.338 8.566 ( -1.917 0.000 6.041) 6.338 8.622 ( -5.270 0.000 -5.314) 7.484 8.622 ( 5.270 0.000 5.314) 7.484 8.748 ( 3.072 0.000 -2.581) 4.013 8.748 ( -3.072 0.000 2.581) 4.013 8.860 ( 1.203 0.000 -6.320) 6.434 8.860 ( -1.203 0.000 6.320) 6.434 8.966 ( 0.078 0.000 -5.520) 5.520 8.966 ( -0.078 0.000 5.520) 5.520 9.203 ( -5.340 0.000 1.348) 5.508 9.203 ( 5.340 0.000 -1.348) 5.508 9.235 ( -4.633 0.000 -0.986) 4.737 9.235 ( 4.633 0.000 0.986) 4.737 9.260 ( -2.025 0.000 0.196) 2.034 9.260 ( 2.025 0.000 -0.196) 2.034 9.531 ( -2.545 0.000 -3.499) 4.327 9.531 ( 2.545 0.000 3.499) 4.327 9.650 ( 2.062 0.000 -1.725) 2.689 9.650 ( -2.062 0.000 1.725) 2.689 9.711 ( -2.848 0.000 -3.808) 4.755 9.711 ( 2.848 0.000 3.808) 4.755 9.974 ( -7.056 0.000 -1.272) 7.169 9.974 ( 7.056 0.000 1.272) 7.169 10.032 ( -5.676 0.000 -1.294) 5.822 10.032 ( 5.676 0.000 1.294) 5.822 10.134 ( 4.490 0.000 -2.231) 5.014 10.134 ( -4.490 0.000 2.231) 5.014 10.434 ( -4.158 0.000 -2.804) 5.015 10.434 ( 4.158 0.000 2.804) 5.015 10.710 ( 0.467 0.000 -6.641) 6.657 10.710 ( -0.467 0.000 6.641) 6.657 11.087 ( -1.749 0.000 -10.881) 11.021 11.087 ( 1.749 0.000 10.881) 11.021 11.600 ( -3.339 0.000 -8.109) 8.770 11.600 ( 3.339 0.000 8.109) 8.770 11.779 ( -6.961 0.000 -5.362) 8.787 11.779 ( 6.961 0.000 5.362) 8.787 12.882 ( 2.504 0.000 -5.420) 5.971 12.882 ( -2.504 0.000 5.420) 5.971 12.984 ( -2.554 0.000 -10.689) 10.990 12.984 ( 2.554 0.000 10.689) 10.990 14.052 ( -1.504 0.000 -0.884) 1.745 14.052 ( 1.504 0.000 0.884) 1.745 14.248 ( 7.061 0.000 -6.540) 9.625 14.248 ( -7.061 0.000 6.540) 9.625 14.691 ( 2.746 0.000 -5.674) 6.304 14.691 ( -2.746 0.000 5.674) 6.304 14.720 ( -0.081 0.000 -7.799) 7.800 14.720 ( 0.081 0.000 7.799) 7.800 16.578 ( 1.248 0.000 -8.979) 9.065 16.578 ( -1.248 0.000 8.979) 9.065 16.596 ( 0.951 0.000 -8.540) 8.593 16.596 ( -0.951 0.000 8.540) 8.593 17.037 ( 1.636 0.000 -5.709) 5.939 17.037 ( -1.636 0.000 5.709) 5.939 17.112 ( 0.691 0.000 -3.233) 3.306 17.112 ( -0.691 0.000 3.233) 3.306 17.463 ( 1.583 0.000 -3.898) 4.207 17.463 ( -1.583 0.000 3.898) 4.207 17.529 ( -1.603 0.000 -0.095) 1.606 17.529 ( 1.603 0.000 0.095) 1.606 17.667 ( 1.537 0.000 -8.229) 8.371 17.667 ( -1.537 0.000 8.229) 8.371 17.738 ( 2.145 0.000 -8.054) 8.335 17.738 ( -2.145 0.000 8.054) 8.335 17.980 ( -3.052 0.000 0.101) 3.054 17.980 ( 3.052 0.000 -0.101) 3.054 18.077 ( 0.846 0.000 -6.151) 6.209 18.077 ( -0.846 0.000 6.151) 6.209 18.082 ( -2.403 0.000 -2.276) 3.310 18.082 ( 2.403 0.000 2.276) 3.310 18.221 ( -3.141 0.000 -0.027) 3.141 18.221 ( 3.141 0.000 0.027) 3.141 18.665 ( 1.137 0.000 -5.146) 5.270 18.665 ( -1.137 0.000 5.146) 5.270 18.830 ( 1.332 0.000 -1.092) 1.722 18.830 ( -1.331 0.000 1.092) 1.722 21.332 ( 0.703 0.000 -0.544) 0.889 21.332 ( -0.703 0.000 0.544) 0.889 21.365 ( -7.668 0.000 -0.436) 7.680 21.365 ( 7.668 0.000 0.436) 7.680 21.390 ( -7.139 0.000 2.378) 7.525 21.390 ( 7.139 0.000 -2.378) 7.525 21.495 ( -3.380 0.000 -0.358) 3.399 21.495 ( 3.380 0.000 0.358) 3.399 21.737 ( -2.974 0.000 -1.521) 3.341 21.737 ( 2.974 0.000 1.521) 3.341 22.111 ( -3.917 0.000 -7.463) 8.428 22.111 ( 3.917 0.000 7.463) 8.428 27.072 ( 0.708 0.000 -1.760) 1.897 27.072 ( -0.708 0.000 1.760) 1.897 27.083 ( 1.088 0.000 -1.652) 1.978 27.083 ( -1.088 0.000 1.652) 1.978 27.589 ( -0.144 0.000 -0.323) 0.353 27.589 ( 0.144 0.000 0.323) 0.353 27.608 ( 0.555 0.000 -1.667) 1.757 27.608 ( -0.555 0.000 1.667) 1.757 27.841 ( -0.064 0.000 -0.684) 0.687 27.841 ( 0.064 0.000 0.684) 0.687 27.865 ( -0.543 0.000 -0.649) 0.846 27.865 ( 0.543 0.000 0.649) 0.846 36.962 ( -3.237 0.000 -6.956) 7.672 36.962 ( 3.237 0.000 6.956) 7.672 37.002 ( -8.434 0.000 -8.844) 12.221 37.002 ( 8.434 0.000 8.844) 12.221 37.204 ( -2.980 0.000 -3.241) 4.403 37.204 ( 2.980 0.000 3.241) 4.403 37.406 ( 0.874 0.000 -0.738) 1.144 37.406 ( -0.874 0.000 0.738) 1.144 37.846 ( 1.544 0.000 -5.650) 5.857 37.846 ( -1.544 0.000 5.650) 5.857 38.233 ( -17.189 0.000 2.488) 17.368 38.233 ( 17.189 0.000 -2.488) 17.368 38.400 ( 3.992 0.000 -10.165) 10.920 38.400 ( -3.992 0.000 10.165) 10.920 38.725 ( 11.926 0.000 -8.402) 14.589 38.725 ( -11.926 0.000 8.402) 14.589 38.859 ( -20.754 0.000 -1.999) 20.850 38.859 ( 20.754 0.000 1.999) 20.850 38.999 ( 8.427 0.000 -5.984) 10.335 38.999 ( -8.427 0.000 5.984) 10.335 39.075 ( -1.388 0.000 -2.343) 2.723 39.075 ( 1.388 0.000 2.343) 2.723 39.244 ( -4.481 0.000 -9.805) 10.781 39.244 ( 4.481 0.000 9.805) 10.781 ======================= Grid point 167 (85/96) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -0.119 10.469 -16.769) 19.769 1.373 ( 0.119 10.469 16.769) 19.769 1.725 ( 2.122 17.082 -17.414) 24.486 1.725 ( -2.122 17.082 17.414) 24.486 1.935 ( -3.460 -2.619 -14.141) 14.792 1.935 ( 3.460 -2.619 14.141) 14.792 2.248 ( 1.640 -0.284 -4.610) 4.902 2.248 ( -1.640 -0.284 4.610) 4.902 2.522 ( 1.808 -7.970 -1.448) 8.300 2.522 ( -1.808 -7.970 1.448) 8.300 2.946 ( -1.113 2.467 -3.872) 4.724 2.946 ( 1.113 2.467 3.872) 4.724 3.330 ( -2.620 8.044 -5.250) 9.957 3.330 ( 2.620 8.044 5.250) 9.957 3.447 ( 0.648 -0.135 -5.286) 5.327 3.447 ( -0.648 -0.135 5.286) 5.327 3.625 ( -1.890 -2.540 -7.451) 8.096 3.625 ( 1.890 -2.540 7.451) 8.096 3.811 ( -3.540 5.095 -1.093) 6.300 3.811 ( 3.540 5.095 1.093) 6.300 3.883 ( -6.794 4.699 1.107) 8.334 3.883 ( 6.794 4.699 -1.107) 8.334 4.205 ( 2.190 1.320 -6.482) 6.968 4.205 ( -2.190 1.320 6.482) 6.968 4.292 ( -0.606 -3.173 -6.478) 7.239 4.292 ( 0.606 -3.173 6.478) 7.239 4.370 ( -3.292 -8.258 -0.506) 8.905 4.370 ( 3.292 -8.258 0.506) 8.905 4.542 ( -8.650 -0.263 -2.581) 9.031 4.542 ( 8.650 -0.263 2.581) 9.031 4.654 ( 0.466 -3.239 -6.322) 7.118 4.654 ( -0.466 -3.239 6.322) 7.118 4.929 ( -2.403 -4.709 -2.039) 5.667 4.929 ( 2.403 -4.709 2.039) 5.667 5.153 ( 2.365 -3.412 -3.192) 5.237 5.153 ( -2.365 -3.412 3.192) 5.237 5.248 ( -0.651 1.314 -5.925) 6.104 5.248 ( 0.651 1.314 5.925) 6.104 5.529 ( -2.034 -1.972 -5.593) 6.269 5.529 ( 2.034 -1.972 5.593) 6.269 5.791 ( -5.230 5.192 0.890) 7.423 5.791 ( 5.230 5.192 -0.890) 7.423 5.871 ( 2.075 -0.287 -1.590) 2.630 5.871 ( -2.075 -0.287 1.590) 2.630 5.990 ( 0.438 0.619 -3.668) 3.746 5.990 ( -0.438 0.619 3.668) 3.746 6.104 ( -2.964 -0.464 -2.451) 3.875 6.104 ( 2.964 -0.464 2.451) 3.875 6.225 ( -0.913 1.345 -14.920) 15.008 6.225 ( 0.913 1.345 14.920) 15.008 6.410 ( -1.800 0.227 -4.388) 4.748 6.410 ( 1.800 0.227 4.388) 4.748 6.522 ( 0.180 -1.843 -1.860) 2.625 6.522 ( -0.180 -1.843 1.860) 2.625 6.818 ( -0.094 0.574 -4.415) 4.453 6.818 ( 0.094 0.574 4.415) 4.453 6.988 ( -0.638 -6.103 -3.757) 7.195 6.988 ( 0.638 -6.103 3.757) 7.195 7.088 ( -1.978 2.046 -2.008) 3.483 7.088 ( 1.978 2.046 2.008) 3.483 7.234 ( 1.491 -1.902 -3.367) 4.145 7.234 ( -1.491 -1.902 3.367) 4.145 7.412 ( 1.926 7.942 -4.150) 9.165 7.412 ( -1.926 7.942 4.150) 9.165 7.478 ( -2.873 -0.659 -3.810) 4.817 7.478 ( 2.873 -0.659 3.810) 4.817 7.689 ( -0.471 1.775 -4.506) 4.866 7.689 ( 0.471 1.775 4.506) 4.866 7.822 ( -0.949 -5.997 -3.377) 6.947 7.822 ( 0.949 -5.997 3.377) 6.947 7.992 ( -0.349 1.564 -3.519) 3.867 7.992 ( 0.349 1.564 3.519) 3.867 8.102 ( 1.465 -2.816 -1.120) 3.366 8.102 ( -1.465 -2.816 1.120) 3.366 8.180 ( -1.634 -3.055 -3.309) 4.790 8.180 ( 1.634 -3.055 3.309) 4.790 8.346 ( 0.578 4.434 -5.923) 7.422 8.346 ( -0.578 4.434 5.923) 7.422 8.513 ( -1.477 -3.699 -5.362) 6.680 8.513 ( 1.477 -3.699 5.362) 6.680 8.667 ( -2.832 -1.686 -3.948) 5.143 8.667 ( 2.832 -1.686 3.948) 5.143 8.760 ( 0.347 3.731 -3.545) 5.158 8.760 ( -0.347 3.731 3.545) 5.158 8.924 ( -0.699 -2.735 -4.510) 5.320 8.924 ( 0.699 -2.735 4.510) 5.320 9.072 ( 0.083 -2.913 -3.476) 4.536 9.072 ( -0.083 -2.913 3.476) 4.536 9.251 ( 0.376 0.608 -1.835) 1.969 9.251 ( -0.376 0.608 1.835) 1.969 9.307 ( -2.033 3.195 -0.033) 3.788 9.307 ( 2.033 3.195 0.033) 3.788 9.531 ( 0.106 8.358 -0.743) 8.391 9.531 ( -0.106 8.358 0.743) 8.391 9.713 ( 0.948 -3.945 -1.683) 4.392 9.713 ( -0.948 -3.945 1.683) 4.392 9.856 ( -1.444 0.333 -2.372) 2.797 9.856 ( 1.444 0.333 2.372) 2.797 10.095 ( 1.858 -4.006 -1.914) 4.813 10.095 ( -1.858 -4.006 1.914) 4.813 10.218 ( -1.368 4.693 -2.141) 5.336 10.218 ( 1.368 4.693 2.141) 5.336 10.465 ( -0.753 -2.218 -4.470) 5.047 10.465 ( 0.753 -2.218 4.470) 5.047 10.787 ( -4.314 5.202 -3.092) 7.432 10.787 ( 4.314 5.202 3.092) 7.432 10.987 ( -2.796 -2.870 -1.469) 4.268 10.987 ( 2.796 -2.870 1.469) 4.268 11.352 ( 3.078 7.556 -6.116) 10.197 11.352 ( -3.078 7.556 6.116) 10.197 11.465 ( -2.662 -0.222 -1.874) 3.263 11.465 ( 2.662 -0.222 1.874) 3.263 11.928 ( 5.072 -11.056 -7.695) 14.394 11.928 ( -5.072 -11.056 7.695) 14.394 12.250 ( 3.651 1.616 -6.616) 7.727 12.250 ( -3.651 1.616 6.616) 7.727 12.453 ( -6.190 -0.446 -2.967) 6.879 12.453 ( 6.190 -0.446 2.967) 6.879 12.811 ( -13.680 -6.016 0.696) 14.961 12.811 ( 13.680 -6.016 -0.696) 14.961 14.252 ( 0.047 6.734 -9.785) 11.878 14.252 ( -0.047 6.734 9.785) 11.878 14.431 ( -0.478 -4.705 -1.845) 5.077 14.431 ( 0.478 -4.705 1.845) 5.077 14.754 ( 0.280 5.624 -2.862) 6.317 14.754 ( -0.280 5.624 2.862) 6.317 14.942 ( 1.675 -1.879 -4.120) 4.828 14.942 ( -1.675 -1.879 4.120) 4.828 16.238 ( 3.918 2.613 -4.936) 6.823 16.238 ( -3.918 2.613 4.936) 6.823 16.392 ( 4.649 -4.643 -3.728) 7.554 16.392 ( -4.649 -4.643 3.728) 7.554 16.933 ( -0.536 -1.872 -2.229) 2.960 16.933 ( 0.536 -1.872 2.229) 2.960 17.243 ( 1.357 9.460 -5.960) 11.263 17.243 ( -1.357 9.460 5.960) 11.263 17.453 ( 0.585 1.158 -1.334) 1.861 17.453 ( -0.585 1.158 1.334) 1.861 17.546 ( -2.229 0.874 -1.512) 2.832 17.546 ( 2.229 0.874 1.512) 2.832 17.753 ( -0.624 -4.693 -1.456) 4.953 17.753 ( 0.624 -4.693 1.456) 4.953 17.797 ( 2.550 1.635 -2.969) 4.242 17.797 ( -2.550 1.635 2.969) 4.242 17.898 ( -0.757 1.009 -0.190) 1.275 17.898 ( 0.757 1.009 0.190) 1.275 18.034 ( 1.599 -4.130 -6.591) 7.941 18.034 ( -1.599 -4.130 6.591) 7.941 18.291 ( 0.643 2.885 -0.718) 3.041 18.291 ( -0.643 2.885 0.718) 3.041 18.454 ( 0.027 -3.763 -0.998) 3.893 18.454 ( -0.027 -3.763 0.998) 3.893 18.687 ( 0.949 4.687 -2.475) 5.385 18.687 ( -0.949 4.687 2.475) 5.385 18.965 ( -0.676 -4.178 -0.714) 4.292 18.965 ( 0.676 -4.178 0.714) 4.292 20.053 ( -1.152 0.083 0.064) 1.157 20.053 ( 1.152 0.083 -0.064) 1.157 20.078 ( -0.629 -0.151 -0.031) 0.647 20.078 ( 0.629 -0.151 0.031) 0.647 20.118 ( -0.224 0.073 -0.057) 0.243 20.118 ( 0.224 0.073 0.057) 0.243 22.137 ( -0.116 0.289 -0.207) 0.374 22.137 ( 0.116 0.289 0.207) 0.374 22.149 ( -0.741 -0.226 -0.536) 0.943 22.149 ( 0.741 -0.226 0.536) 0.943 22.228 ( -0.446 -0.102 -0.191) 0.496 22.228 ( 0.446 -0.102 0.191) 0.496 27.045 ( 0.138 0.200 -1.534) 1.553 27.045 ( -0.138 0.200 1.534) 1.553 27.107 ( 0.234 -0.150 -0.908) 0.949 27.107 ( -0.234 -0.150 0.908) 0.949 27.654 ( 0.413 0.399 -2.145) 2.221 27.654 ( -0.413 0.399 2.145) 2.221 27.673 ( 0.194 -0.377 -0.865) 0.963 27.673 ( -0.194 -0.377 0.865) 0.963 27.771 ( 0.019 -0.084 -1.237) 1.240 27.771 ( -0.019 -0.084 1.237) 1.240 28.053 ( 0.038 0.017 -0.130) 0.137 28.053 ( -0.038 0.017 0.130) 0.137 36.612 ( -0.023 0.249 -1.562) 1.582 36.612 ( 0.023 0.249 1.562) 1.582 37.108 ( 0.482 -1.969 -0.354) 2.058 37.108 ( -0.482 -1.969 0.354) 2.058 37.221 ( -1.689 1.417 -4.033) 4.597 37.221 ( 1.689 1.417 4.033) 4.597 37.299 ( -0.639 -1.396 -2.552) 2.978 37.299 ( 0.639 -1.396 2.552) 2.978 37.668 ( -0.219 -0.313 -0.006) 0.382 37.668 ( 0.219 -0.313 0.006) 0.382 38.070 ( -1.603 5.325 -4.171) 6.951 38.070 ( 1.603 5.325 4.171) 6.951 38.186 ( 0.135 1.077 -5.143) 5.256 38.186 ( -0.135 1.077 5.143) 5.256 38.340 ( -0.201 3.265 -5.950) 6.790 38.340 ( 0.201 3.265 5.950) 6.790 38.697 ( -0.893 -2.118 -17.367) 17.518 38.697 ( 0.893 -2.118 17.367) 17.518 40.406 ( -0.329 1.899 -6.202) 6.495 40.406 ( 0.329 1.899 6.202) 6.495 40.599 ( -0.937 -5.071 -1.266) 5.309 40.599 ( 0.937 -5.071 1.266) 5.309 41.075 ( 3.173 -1.848 -2.644) 4.525 41.075 ( -3.173 -1.848 2.644) 4.525 ======================= Grid point 169 (86/96) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 13.360 6.029 -17.978) 23.196 1.581 ( 11.558 7.899 -5.348) 14.986 1.647 ( 7.302 2.679 -5.863) 9.741 1.703 ( -0.278 8.561 -11.619) 14.435 1.935 ( 4.276 11.177 8.215) 14.516 2.124 ( 3.531 10.973 7.788) 13.912 2.262 ( 5.602 -5.509 1.299) 7.964 2.368 ( 8.557 -2.124 1.126) 8.888 2.480 ( -1.204 -5.060 3.593) 6.322 2.581 ( 2.157 -6.879 3.147) 7.866 2.901 ( 0.783 5.306 1.539) 5.580 3.048 ( 5.459 0.114 -0.128) 5.462 3.215 ( -4.573 6.112 -5.850) 9.617 3.286 ( -7.139 5.410 -7.199) 11.492 3.348 ( -7.154 0.627 -3.317) 7.911 3.443 ( -1.484 -0.425 -1.431) 2.105 3.519 ( -3.087 -0.450 -2.700) 4.126 3.635 ( -4.473 -1.659 0.581) 4.806 3.776 ( -1.126 3.832 1.987) 4.461 3.878 ( 2.451 3.747 3.373) 5.606 3.925 ( 2.636 5.496 11.563) 13.071 4.008 ( 5.112 3.057 3.522) 6.919 4.151 ( -4.932 -6.694 -1.115) 8.389 4.172 ( -0.716 2.393 -8.325) 8.692 4.238 ( 1.990 -2.164 -0.536) 2.988 4.359 ( 4.613 1.539 -0.366) 4.877 4.377 ( -4.768 -3.733 -5.330) 8.067 4.420 ( 5.121 -8.552 2.405) 10.254 4.502 ( 5.398 -3.264 -0.606) 6.337 4.594 ( 3.199 -3.652 -2.620) 5.517 4.727 ( 5.534 0.725 -0.108) 5.582 4.740 ( 8.999 -0.222 0.592) 9.021 4.936 ( 1.194 -0.390 5.154) 5.305 5.047 ( 5.343 -6.166 9.729) 12.698 5.133 ( 0.227 -1.241 -1.048) 1.640 5.163 ( 3.463 -4.567 -6.558) 8.710 5.262 ( 6.003 -0.724 -2.162) 6.422 5.311 ( 2.270 -4.945 0.733) 5.490 5.483 ( 0.139 3.140 -0.644) 3.208 5.614 ( 2.922 -0.597 3.976) 4.971 5.745 ( -0.278 3.239 1.223) 3.473 5.832 ( 1.636 -0.095 -0.683) 1.775 5.902 ( 5.221 1.411 -1.996) 5.765 5.954 ( 1.726 -1.911 4.134) 4.870 6.004 ( 3.853 -0.353 -2.317) 4.510 6.008 ( 1.823 6.583 -0.237) 6.835 6.084 ( 5.276 0.064 -2.722) 5.937 6.195 ( 6.483 2.792 -6.524) 9.612 6.223 ( 8.384 -0.864 1.661) 8.590 6.366 ( 0.924 0.737 4.778) 4.922 6.431 ( 8.733 -3.097 6.542) 11.342 6.508 ( 3.171 7.829 2.298) 8.753 6.564 ( 7.905 -1.482 0.031) 8.043 6.604 ( 7.680 -6.674 -0.933) 10.218 6.759 ( -2.045 1.509 -2.508) 3.570 6.859 ( 1.683 -0.928 -1.363) 2.356 6.959 ( -1.733 -0.752 0.608) 1.985 6.997 ( 1.300 1.327 -4.260) 4.647 7.065 ( -0.508 -2.837 2.499) 3.815 7.143 ( 1.518 1.395 5.173) 5.569 7.213 ( -0.106 -2.255 0.881) 2.423 7.260 ( -0.461 -6.855 -0.085) 6.871 7.379 ( -2.648 -0.471 0.559) 2.747 7.434 ( 2.469 1.007 1.216) 2.931 7.469 ( 5.340 6.499 -1.056) 8.478 7.620 ( 7.614 2.642 4.940) 9.453 7.640 ( 0.751 1.985 -7.199) 7.505 7.758 ( 5.036 1.025 -0.085) 5.140 7.831 ( 1.393 -4.883 1.237) 5.227 7.909 ( 4.357 -5.328 4.212) 8.069 7.959 ( -0.674 0.988 -0.503) 1.298 8.011 ( -1.118 -2.226 -0.727) 2.595 8.072 ( 0.276 -3.253 -0.474) 3.299 8.115 ( 3.239 0.056 -2.705) 4.220 8.189 ( 1.964 -1.414 0.950) 2.600 8.267 ( 3.085 -1.583 6.558) 7.418 8.300 ( -0.412 4.358 -1.245) 4.551 8.384 ( 1.258 1.531 -2.017) 2.828 8.448 ( -2.341 -2.441 -3.131) 4.609 8.575 ( 0.560 0.056 6.216) 6.242 8.615 ( -0.104 -3.604 -2.870) 4.608 8.691 ( -4.123 2.790 -0.066) 4.979 8.757 ( 2.406 -1.972 5.528) 6.343 8.798 ( 2.605 3.034 -1.837) 4.400 8.882 ( -1.769 -1.074 -0.334) 2.096 8.981 ( 0.889 -2.553 4.151) 4.953 9.045 ( -1.357 -1.040 -0.243) 1.727 9.087 ( -0.733 -4.921 2.674) 5.648 9.220 ( -2.839 0.058 -1.243) 3.100 9.233 ( -0.274 3.438 -3.644) 5.018 9.273 ( -2.415 1.904 1.802) 3.565 9.325 ( -0.764 2.011 0.513) 2.211 9.502 ( -2.648 6.910 1.099) 7.481 9.528 ( -1.501 8.944 0.531) 9.085 9.683 ( -3.755 -4.263 1.789) 5.956 9.690 ( -1.806 -2.914 -1.854) 3.897 9.799 ( -2.196 0.726 -3.661) 4.330 9.875 ( -0.580 0.179 0.350) 0.700 10.045 ( -4.581 -2.689 2.269) 5.776 10.108 ( -0.295 -1.329 -3.581) 3.831 10.141 ( -4.628 2.269 0.108) 5.155 10.251 ( 0.539 3.942 -0.554) 4.017 10.385 ( -3.908 -2.613 -5.852) 7.506 10.480 ( -2.245 -1.991 2.299) 3.780 10.673 ( -6.245 8.068 -0.909) 10.243 10.839 ( -2.218 -0.276 3.022) 3.758 10.884 ( -7.252 -0.938 -0.327) 7.320 10.996 ( -4.428 -5.387 3.811) 7.947 11.243 ( -12.180 5.637 -4.287) 14.089 11.273 ( -9.026 8.115 1.624) 12.246 11.347 ( -3.774 0.741 -5.567) 6.766 11.438 ( -5.482 4.808 0.385) 7.301 11.851 ( -8.637 -10.655 5.141) 14.648 11.924 ( -1.700 -12.503 -7.140) 14.498 12.266 ( -1.756 -0.384 7.127) 7.351 12.280 ( -8.551 1.153 -8.178) 11.888 12.335 ( 4.932 -0.553 2.537) 5.573 12.476 ( -0.022 -6.974 0.408) 6.986 12.731 ( 5.659 6.924 -2.275) 9.227 13.025 ( 11.170 -8.287 -4.535) 14.629 14.150 ( -3.888 6.633 -6.662) 10.173 14.279 ( -5.293 4.513 8.438) 10.936 14.350 ( -5.942 -1.944 2.520) 6.741 14.455 ( -1.302 -5.645 2.042) 6.142 14.705 ( -2.810 5.537 0.476) 6.227 14.784 ( 0.849 4.557 -0.580) 4.671 14.915 ( -2.357 -2.015 -0.655) 3.170 14.929 ( -0.551 -1.393 -2.873) 3.240 16.247 ( -0.572 2.025 7.584) 7.871 16.309 ( 6.813 2.547 -1.990) 7.541 16.366 ( -2.413 -3.435 6.071) 7.381 16.466 ( 5.602 -4.921 -1.601) 7.626 16.920 ( 0.457 -0.491 -1.055) 1.250 16.970 ( 1.488 -3.121 2.651) 4.356 17.195 ( -0.953 8.546 -4.951) 9.923 17.261 ( -0.469 8.133 0.467) 8.160 17.437 ( -0.672 -1.332 -2.395) 2.822 17.470 ( 1.461 0.086 -0.155) 1.471 17.507 ( -1.329 1.666 0.616) 2.219 17.590 ( 1.284 3.254 0.942) 3.622 17.716 ( -2.142 -4.867 0.055) 5.318 17.756 ( -3.259 -0.871 3.692) 5.001 17.780 ( -0.382 -1.296 0.816) 1.578 17.820 ( 2.324 1.020 -3.221) 4.101 17.879 ( -1.553 0.840 0.611) 1.869 17.908 ( -0.136 0.070 1.374) 1.383 17.978 ( -2.343 -1.633 -3.223) 4.307 18.049 ( -1.791 -3.385 3.887) 5.456 18.261 ( -1.903 2.940 -0.448) 3.531 18.294 ( 0.111 2.554 -2.079) 3.295 18.429 ( -1.269 -3.647 -2.510) 4.605 18.437 ( -1.819 -3.228 -1.063) 3.855 18.666 ( -1.333 3.973 0.851) 4.276 18.702 ( 0.516 3.989 -0.059) 4.023 18.924 ( -2.493 -3.537 -1.787) 4.681 18.955 ( -1.997 -3.803 -0.056) 4.296 20.152 ( 11.207 0.333 -0.455) 11.221 20.164 ( 10.740 -0.158 -0.281) 10.745 20.197 ( 10.650 0.043 0.097) 10.650 20.211 ( 13.076 -0.611 -1.605) 13.189 20.233 ( 13.464 0.988 1.255) 13.558 20.288 ( 20.883 -1.561 4.871) 21.500 22.101 ( -3.599 0.176 -0.312) 3.617 22.107 ( -3.292 -0.107 -0.736) 3.375 22.116 ( -2.952 0.491 -0.135) 2.996 22.143 ( -1.861 -0.699 0.295) 2.009 22.212 ( -1.365 0.496 0.192) 1.465 22.233 ( -0.131 -0.430 0.528) 0.694 27.039 ( 0.516 0.352 -1.469) 1.596 27.055 ( 0.060 -0.265 1.142) 1.174 27.102 ( -0.150 0.024 -0.446) 0.471 27.108 ( -0.307 -0.031 0.407) 0.510 27.635 ( -0.804 0.432 -1.708) 1.936 27.651 ( -1.185 0.239 0.883) 1.497 27.660 ( -1.040 -0.379 0.223) 1.129 27.671 ( -0.889 -0.334 0.654) 1.153 27.765 ( 0.441 0.310 -1.440) 1.537 27.780 ( 0.148 -0.388 0.847) 0.943 28.037 ( -1.588 0.030 -0.529) 1.674 28.037 ( -1.707 0.007 -0.204) 1.719 36.613 ( 1.416 0.731 -1.361) 2.096 36.637 ( 1.396 -0.299 1.670) 2.197 37.103 ( 0.536 -1.423 -1.452) 2.103 37.131 ( 2.555 -1.938 -1.236) 3.436 37.200 ( 2.044 2.278 -2.931) 4.237 37.279 ( 1.690 -2.897 -3.061) 4.540 37.320 ( 4.426 0.762 4.047) 6.046 37.350 ( 3.455 0.067 2.166) 4.078 37.635 ( -0.095 -0.692 -7.445) 7.478 37.651 ( 0.927 -1.151 -6.130) 6.305 38.033 ( -0.748 6.695 0.679) 6.771 38.131 ( 1.524 2.015 0.150) 2.531 38.170 ( 0.378 1.784 3.474) 3.924 38.225 ( 1.729 2.830 1.852) 3.799 38.329 ( 1.301 7.533 0.050) 7.644 38.413 ( -0.136 -2.864 12.106) 12.440 38.542 ( -2.185 2.345 -15.102) 15.438 38.817 ( -1.647 -5.511 16.266) 17.253 40.222 ( -14.176 0.125 -9.272) 16.939 40.342 ( -11.256 2.336 1.029) 11.542 40.439 ( -16.565 -2.523 -0.852) 16.777 40.460 ( -16.940 -8.910 1.123) 19.173 40.843 ( -22.599 3.443 -0.484) 22.865 40.949 ( -14.801 -2.511 -0.882) 15.038 ======================= Grid point 170 (87/96) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 13.948 -0.600 -17.391) 22.302 1.636 ( 4.759 1.593 -12.893) 13.835 1.705 ( 15.514 -0.508 -15.057) 21.626 1.869 ( 10.039 -1.447 0.187) 10.144 2.104 ( 6.288 15.206 10.261) 19.392 2.219 ( 5.942 10.831 6.349) 13.890 2.351 ( 3.672 -3.557 -0.733) 5.165 2.553 ( 9.224 -0.947 3.553) 9.930 2.572 ( 5.913 -0.723 0.021) 5.957 2.632 ( -0.211 -1.755 4.944) 5.251 2.965 ( 2.901 1.869 0.607) 3.504 3.059 ( -7.355 9.744 -13.881) 18.485 3.063 ( -3.569 -3.568 -0.552) 5.077 3.132 ( -0.799 1.899 -3.100) 3.722 3.241 ( -0.394 4.507 -2.971) 5.413 3.412 ( 0.245 0.356 -2.337) 2.376 3.467 ( 0.073 0.584 0.067) 0.592 3.571 ( -4.047 -1.832 3.071) 5.400 3.740 ( -4.492 0.091 0.559) 4.527 3.833 ( -7.857 -4.746 -1.913) 9.376 3.960 ( -3.091 1.678 1.861) 3.979 4.091 ( -4.157 -0.484 -1.811) 4.560 4.098 ( -2.557 -1.187 5.413) 6.103 4.213 ( 8.733 4.369 7.686) 12.427 4.278 ( 2.987 0.967 3.712) 4.861 4.314 ( -2.784 -0.049 -2.757) 3.918 4.410 ( 6.959 1.475 -3.249) 7.820 4.547 ( 7.165 -5.200 1.735) 9.021 4.604 ( 8.207 -5.344 0.433) 9.803 4.682 ( 5.861 0.903 -4.143) 7.234 4.793 ( 4.478 3.316 -2.961) 6.310 4.922 ( 9.841 -1.495 -1.484) 10.064 5.023 ( 5.524 3.268 3.480) 7.301 5.145 ( 1.637 -1.653 -1.772) 2.924 5.220 ( 5.306 -4.709 8.597) 11.146 5.223 ( 6.591 -8.274 0.343) 10.584 5.317 ( 2.318 -2.295 -2.154) 3.909 5.413 ( 10.583 -4.326 -0.501) 11.443 5.536 ( 2.726 4.966 3.840) 6.844 5.705 ( 5.180 0.543 1.234) 5.353 5.748 ( -0.221 -2.804 -0.873) 2.945 5.846 ( 2.462 -3.940 -4.546) 6.500 5.994 ( 4.954 0.022 0.092) 4.955 6.015 ( 5.610 3.370 1.764) 6.779 6.031 ( 2.078 5.083 -1.606) 5.722 6.109 ( 3.810 -0.533 2.662) 4.678 6.196 ( 7.603 5.736 0.124) 9.525 6.353 ( 5.221 -0.801 -0.056) 5.282 6.361 ( 13.386 1.139 0.221) 13.436 6.465 ( 5.440 4.333 3.395) 7.739 6.573 ( 4.771 -1.396 -3.879) 6.306 6.602 ( 4.459 7.595 6.696) 11.063 6.692 ( 7.950 -3.691 -4.843) 10.014 6.752 ( 4.835 1.439 -0.731) 5.097 6.818 ( 12.402 -5.585 2.875) 13.902 6.869 ( 2.116 -1.781 -2.795) 3.932 6.905 ( 1.495 0.613 -3.739) 4.073 7.057 ( 3.888 0.604 1.587) 4.243 7.097 ( -0.232 -4.257 4.683) 6.333 7.201 ( 0.606 1.056 2.886) 3.132 7.233 ( 2.003 0.666 6.717) 7.041 7.274 ( 6.003 -5.845 -2.715) 8.808 7.355 ( -0.568 0.367 1.316) 1.479 7.527 ( 5.895 -5.328 -0.931) 8.000 7.598 ( 3.048 4.372 -9.045) 10.499 7.612 ( 7.722 -0.609 4.898) 9.164 7.771 ( 5.544 -1.348 0.856) 5.769 7.819 ( -1.864 -4.513 -2.759) 5.608 7.864 ( 6.649 0.726 -3.866) 7.725 7.967 ( 0.109 -1.209 5.565) 5.696 7.993 ( 2.552 -5.301 0.637) 5.918 8.012 ( 0.117 -0.253 4.005) 4.014 8.088 ( 1.000 -2.655 -1.100) 3.043 8.184 ( 4.206 -0.643 0.282) 4.264 8.237 ( 5.939 0.354 -2.501) 6.454 8.330 ( 3.461 4.674 1.390) 5.980 8.364 ( -1.494 2.612 3.858) 4.893 8.390 ( 2.489 -0.241 2.816) 3.766 8.404 ( 1.989 1.276 0.017) 2.363 8.569 ( -2.200 -0.148 -1.823) 2.861 8.604 ( -1.553 0.763 -3.142) 3.587 8.665 ( 0.160 -0.953 4.105) 4.217 8.813 ( 0.943 2.080 4.125) 4.715 8.834 ( -0.933 0.009 -0.894) 1.293 8.853 ( -0.608 -4.924 2.964) 5.780 8.995 ( -2.924 -1.247 3.552) 4.767 9.023 ( -1.731 1.360 2.613) 3.416 9.102 ( 0.929 -7.813 1.271) 7.970 9.149 ( -3.987 1.877 1.433) 4.634 9.202 ( 0.890 3.690 -5.980) 7.083 9.249 ( -2.296 1.929 2.686) 4.026 9.281 ( -4.456 1.101 0.355) 4.604 9.454 ( -3.937 4.011 0.511) 5.644 9.478 ( -5.064 8.415 -0.058) 9.822 9.620 ( -4.762 -2.251 3.405) 6.272 9.657 ( -1.604 0.239 3.035) 3.441 9.725 ( -1.981 0.980 -6.146) 6.531 9.848 ( -2.075 -0.752 0.603) 2.287 9.971 ( -5.262 -0.804 0.991) 5.414 10.001 ( -6.066 3.430 -4.223) 8.148 10.081 ( -4.653 -4.742 0.116) 6.645 10.215 ( -5.266 -3.987 -3.462) 7.457 10.255 ( -4.047 4.554 -4.441) 7.539 10.407 ( -7.790 0.451 -0.134) 7.804 10.576 ( -4.148 6.247 0.404) 7.510 10.695 ( -11.953 -0.575 -0.867) 11.999 10.783 ( -9.003 -3.664 2.970) 10.164 10.907 ( -8.352 -3.671 5.246) 10.524 10.951 ( -14.871 4.068 -3.888) 15.901 11.066 ( -13.687 1.783 -1.196) 13.854 11.214 ( -7.583 9.408 -5.904) 13.449 11.384 ( -1.492 4.521 3.679) 6.017 11.692 ( -12.737 -8.706 -3.343) 15.786 11.748 ( -7.049 -13.910 -7.003) 17.095 12.063 ( -6.289 5.671 -5.019) 9.844 12.294 ( -1.063 -6.435 1.962) 6.811 12.471 ( 6.851 0.479 3.714) 7.808 12.569 ( 5.502 -5.845 5.244) 9.588 12.809 ( 4.523 9.317 -3.348) 10.885 13.122 ( 4.786 -5.890 -6.001) 9.675 14.050 ( -2.392 4.548 -3.667) 6.313 14.199 ( -6.681 -1.132 2.934) 7.384 14.290 ( -4.901 3.495 4.737) 7.660 14.424 ( -4.615 -5.468 3.979) 8.187 14.670 ( -2.143 4.466 2.098) 5.379 14.775 ( -0.154 2.872 -2.859) 4.056 14.853 ( -4.212 -0.963 -0.029) 4.321 14.886 ( -0.508 -1.633 -5.889) 6.133 16.318 ( 1.212 1.303 9.435) 9.601 16.393 ( -0.534 -2.248 8.169) 8.489 16.430 ( 7.393 2.020 -0.678) 7.694 16.550 ( 4.856 -3.733 -1.452) 6.295 16.932 ( 1.228 0.458 0.400) 1.370 17.018 ( 1.561 -3.855 2.490) 4.847 17.143 ( 0.234 6.444 -7.053) 9.557 17.232 ( -1.861 4.706 -2.385) 5.595 17.406 ( 0.257 -2.030 -3.276) 3.862 17.484 ( 0.728 -3.586 -2.380) 4.365 17.518 ( 0.763 3.950 3.088) 5.072 17.595 ( -1.432 2.666 1.069) 3.209 17.691 ( -0.721 -2.486 -0.987) 2.770 17.720 ( -3.578 1.673 4.686) 6.129 17.780 ( -0.436 -2.235 1.489) 2.720 17.826 ( 1.150 -0.207 -3.624) 3.807 17.844 ( -2.426 1.573 -0.650) 2.963 17.922 ( -0.582 -1.230 3.755) 3.994 17.936 ( -0.512 1.755 0.563) 1.913 18.043 ( -1.720 -2.591 3.570) 4.734 18.224 ( -1.447 2.949 -1.481) 3.603 18.266 ( -0.787 2.120 -3.413) 4.094 18.369 ( -2.768 -2.498 -3.963) 5.442 18.390 ( -1.740 -3.159 -2.930) 4.647 18.657 ( -0.750 2.938 1.731) 3.492 18.705 ( 0.371 2.525 -0.992) 2.738 18.865 ( -1.840 -2.473 -2.933) 4.255 18.909 ( -2.674 -2.897 -0.354) 3.958 20.397 ( 16.653 0.327 -0.683) 16.670 20.410 ( 17.458 0.513 -1.576) 17.537 20.445 ( 17.165 -1.311 0.341) 17.219 20.472 ( 18.558 -1.201 -4.100) 19.043 20.581 ( 21.869 5.236 4.682) 22.970 20.819 ( 27.771 -6.150 15.066) 32.187 22.007 ( -6.788 0.146 -0.394) 6.801 22.017 ( -6.450 -0.296 -0.814) 6.508 22.034 ( -6.271 0.962 -0.010) 6.345 22.085 ( -4.921 -1.589 0.112) 5.173 22.178 ( -2.920 1.628 0.260) 3.353 22.230 ( -0.684 -0.928 0.521) 1.266 27.042 ( 0.939 0.204 -1.244) 1.572 27.062 ( 0.036 -0.755 0.512) 0.913 27.096 ( -0.327 0.338 0.059) 0.474 27.102 ( -0.508 0.224 0.066) 0.559 27.608 ( -1.024 0.499 -0.841) 1.416 27.631 ( -1.418 -0.145 0.237) 1.445 27.641 ( -1.141 -0.218 -0.027) 1.162 27.653 ( -1.660 -0.316 0.583) 1.788 27.769 ( 1.068 0.491 -0.938) 1.504 27.790 ( 0.358 -0.466 0.619) 0.853 27.995 ( -2.595 0.024 -0.542) 2.651 27.995 ( -2.423 0.021 -0.787) 2.548 36.643 ( 2.874 1.064 -0.560) 3.115 36.685 ( 2.529 -0.825 2.073) 3.372 37.103 ( 1.165 0.474 -2.544) 2.838 37.180 ( 3.875 -2.232 -1.075) 4.600 37.236 ( 3.820 1.849 -2.371) 4.861 37.292 ( 2.450 -2.622 -2.885) 4.605 37.372 ( 0.853 1.180 -5.084) 5.289 37.467 ( 5.160 -2.944 -0.300) 5.948 37.605 ( 5.307 -0.047 -4.652) 7.057 37.647 ( 5.177 -1.319 -4.978) 7.302 38.045 ( -0.475 11.108 3.991) 11.813 38.150 ( 0.686 0.485 -1.290) 1.539 38.192 ( 0.557 0.914 1.487) 1.832 38.285 ( 1.780 -0.506 1.277) 2.248 38.380 ( 4.299 5.117 1.384) 6.825 38.435 ( 1.706 7.490 -4.958) 9.143 38.514 ( -0.136 -3.142 12.910) 13.287 38.875 ( -4.406 -8.114 13.410) 16.281 39.719 ( -32.473 2.461 -19.852) 38.140 39.935 ( -26.979 -5.234 -5.617) 28.050 40.102 ( -19.236 0.577 -1.618) 19.313 40.138 ( -20.661 -4.599 1.527) 21.221 40.404 ( -25.315 6.720 -0.455) 26.196 40.585 ( -24.639 -2.962 -1.715) 24.876 ======================= Grid point 171 (88/96) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 8.919 1.412 -11.547) 14.659 1.665 ( 13.995 -0.047 -11.064) 17.841 1.874 ( 10.018 -3.605 -4.217) 11.452 1.979 ( 7.845 -5.914 -6.479) 11.768 2.281 ( 5.777 11.286 6.329) 14.171 2.382 ( 1.552 1.592 1.617) 2.749 2.431 ( 5.101 2.882 0.499) 5.880 2.537 ( -3.675 1.775 -2.111) 4.595 2.597 ( -4.718 -2.711 -1.434) 5.628 2.676 ( -0.132 2.827 0.337) 2.851 2.888 ( 1.206 9.174 -5.557) 10.793 3.024 ( 0.040 -3.972 1.769) 4.348 3.055 ( 5.282 2.341 -2.145) 6.163 3.148 ( -1.767 4.546 -0.549) 4.908 3.203 ( 4.071 -2.980 -6.714) 8.398 3.400 ( -0.471 -3.674 -2.719) 4.595 3.512 ( -5.665 -3.284 3.309) 7.337 3.524 ( 1.367 -0.798 3.079) 3.462 3.704 ( -1.342 3.262 6.717) 7.587 3.707 ( 1.192 -0.707 -2.120) 2.533 3.920 ( -2.099 2.143 0.035) 3.000 3.996 ( -3.107 6.674 -2.083) 7.650 4.104 ( -2.691 -3.640 7.066) 8.391 4.200 ( -6.427 0.570 2.515) 6.925 4.334 ( 2.725 -0.728 -5.580) 6.253 4.411 ( 4.729 -1.823 4.485) 6.767 4.551 ( 6.263 3.609 3.369) 7.975 4.678 ( 4.030 2.182 1.348) 4.776 4.697 ( 2.668 -0.341 -2.911) 3.963 4.762 ( 8.244 -1.351 1.162) 8.435 4.894 ( 9.825 5.888 -1.910) 11.612 5.021 ( 4.054 -0.985 -1.055) 4.303 5.158 ( 2.802 -3.735 -3.044) 5.574 5.174 ( 9.649 -0.617 -4.802) 10.795 5.355 ( 1.313 -1.524 9.829) 10.033 5.366 ( 4.295 -1.479 8.209) 9.382 5.407 ( 7.573 -4.623 1.988) 9.093 5.572 ( 2.175 0.311 -1.830) 2.860 5.591 ( 9.133 -3.220 -3.072) 10.160 5.718 ( -0.240 -6.464 -3.687) 7.445 5.783 ( 3.514 2.319 -1.469) 4.459 5.903 ( 5.858 -2.506 -1.201) 6.484 6.035 ( 0.500 1.025 0.726) 1.352 6.115 ( 3.565 -0.752 -1.245) 3.850 6.118 ( 8.252 4.734 -0.713) 9.540 6.182 ( 2.654 4.663 7.013) 8.830 6.309 ( 1.131 -0.329 1.988) 2.311 6.386 ( 1.222 -0.865 -6.091) 6.272 6.476 ( -0.147 4.533 4.636) 6.486 6.597 ( -0.140 3.238 2.244) 3.942 6.638 ( 7.948 3.530 1.741) 8.869 6.763 ( 0.607 -3.453 -3.020) 4.627 6.785 ( 14.912 6.985 -4.994) 17.208 6.821 ( 7.140 5.616 3.759) 9.831 6.913 ( 5.504 -3.061 -1.635) 6.507 7.000 ( 7.046 -9.580 3.553) 12.412 7.014 ( 2.233 -1.628 1.332) 3.068 7.125 ( 3.888 -6.768 0.581) 7.827 7.175 ( 12.535 -8.571 -3.953) 15.691 7.266 ( 5.427 4.431 0.256) 7.011 7.352 ( 5.720 -8.340 -1.234) 10.188 7.404 ( 6.904 10.248 7.204) 14.303 7.434 ( 9.080 1.705 0.020) 9.238 7.575 ( 5.954 -1.058 -5.325) 8.058 7.625 ( 2.150 -4.330 -3.812) 6.157 7.717 ( -3.566 -6.757 -6.042) 9.741 7.785 ( 8.106 -1.669 3.978) 9.182 7.867 ( 3.126 -1.344 1.452) 3.700 7.907 ( 0.836 1.162 -1.666) 2.197 7.991 ( -3.177 -7.155 -0.877) 7.877 8.025 ( 1.755 0.384 3.003) 3.500 8.069 ( 5.859 0.887 -0.903) 5.994 8.102 ( 1.878 -1.270 3.040) 3.792 8.234 ( 0.852 1.746 3.166) 3.714 8.313 ( -2.981 2.315 1.800) 4.181 8.361 ( 0.726 4.954 2.248) 5.488 8.393 ( 6.288 -0.084 -2.765) 6.870 8.452 ( 3.027 0.464 -0.009) 3.062 8.486 ( 0.855 -0.522 -1.198) 1.561 8.543 ( -2.549 -4.599 -0.229) 5.263 8.582 ( 5.789 6.584 4.067) 9.665 8.682 ( 0.613 -2.125 -1.513) 2.680 8.732 ( -7.703 0.453 0.845) 7.762 8.846 ( -0.291 3.748 -0.327) 3.773 8.923 ( 4.221 0.449 2.803) 5.087 8.932 ( -5.462 -1.974 4.897) 7.597 9.037 ( 0.530 -4.253 -0.378) 4.302 9.112 ( -1.836 -2.683 1.932) 3.782 9.132 ( -1.055 2.106 3.378) 4.118 9.170 ( -3.822 2.924 -1.671) 5.094 9.205 ( 0.080 1.515 0.452) 1.583 9.242 ( -2.156 2.395 4.096) 5.212 9.353 ( -4.498 7.453 -0.811) 8.743 9.398 ( -3.446 -0.333 1.446) 3.752 9.536 ( -8.351 1.686 2.625) 8.915 9.630 ( -4.564 1.795 1.928) 5.270 9.714 ( 3.143 0.534 -1.621) 3.577 9.822 ( -3.883 -2.795 -0.340) 4.796 9.853 ( -4.388 3.297 -0.514) 5.513 9.910 ( -3.385 -3.529 -2.203) 5.363 9.979 ( -6.033 -5.987 3.140) 9.061 10.018 ( -10.280 -4.123 -4.030) 11.787 10.180 ( -8.313 3.235 -0.934) 8.969 10.221 ( -7.469 3.683 -3.145) 8.902 10.432 ( -13.193 3.170 -2.623) 13.819 10.507 ( -7.618 4.405 -4.049) 9.687 10.578 ( -12.294 -0.520 1.278) 12.371 10.723 ( -11.970 -3.349 -3.610) 12.943 10.786 ( -6.572 0.634 1.763) 6.834 10.892 ( -6.398 -3.611 9.351) 11.892 11.032 ( -6.662 10.113 -6.714) 13.846 11.346 ( -5.637 -1.941 -8.158) 10.104 11.483 ( -3.711 -2.556 3.181) 5.516 11.649 ( -3.048 -7.133 0.403) 7.767 11.934 ( -5.013 5.396 -6.026) 9.516 12.205 ( -9.036 -7.806 -3.292) 12.387 12.624 ( 7.340 0.351 4.331) 8.530 12.708 ( 4.933 -4.180 7.142) 9.634 12.861 ( 3.447 8.472 -0.339) 9.153 13.124 ( 0.746 -3.396 -5.288) 6.329 14.019 ( 1.013 1.895 -1.989) 2.928 14.123 ( -2.992 -1.910 -0.320) 3.564 14.236 ( -3.826 3.330 1.908) 5.419 14.360 ( -6.088 -4.873 4.568) 9.037 14.664 ( -1.281 3.332 4.294) 5.584 14.744 ( 0.133 1.672 -5.137) 5.404 14.778 ( -4.378 -0.033 0.759) 4.443 14.829 ( -0.603 -1.927 -6.487) 6.794 16.417 ( 1.397 0.733 10.417) 10.536 16.458 ( 0.233 -1.184 9.442) 9.519 16.541 ( 5.897 1.146 -1.871) 6.292 16.606 ( 3.558 -1.806 -3.520) 5.320 16.966 ( 1.459 0.648 2.031) 2.583 17.052 ( 0.638 -3.384 0.585) 3.493 17.105 ( 1.393 4.174 -6.178) 7.585 17.179 ( -0.877 1.694 -4.413) 4.808 17.407 ( 1.550 -1.312 -1.042) 2.283 17.469 ( 0.578 -3.326 -3.798) 5.081 17.551 ( -0.178 2.168 2.495) 3.310 17.570 ( -2.566 1.816 2.469) 3.997 17.657 ( -2.326 -0.267 1.166) 2.615 17.715 ( -0.135 1.551 0.792) 1.746 17.781 ( -2.256 -2.030 0.896) 3.165 17.800 ( -0.408 1.355 -0.389) 1.467 17.828 ( 2.070 1.978 -1.662) 3.311 17.933 ( -0.151 -0.108 2.916) 2.922 17.970 ( 0.112 -0.488 6.533) 6.552 18.045 ( -0.673 -2.092 2.486) 3.318 18.189 ( -0.578 2.427 -3.032) 3.926 18.219 ( -1.604 2.008 -3.382) 4.247 18.281 ( -2.916 -1.551 -5.686) 6.575 18.332 ( -2.141 -2.827 -3.445) 4.944 18.662 ( -0.721 2.562 2.750) 3.827 18.703 ( 0.796 1.499 -2.440) 2.972 18.823 ( -0.432 -1.653 -2.927) 3.389 18.864 ( -2.119 -2.263 -0.108) 3.102 20.712 ( 19.449 0.637 -0.684) 19.472 20.725 ( 19.694 1.067 -2.282) 19.854 20.776 ( 19.880 -1.454 -3.437) 20.227 20.785 ( 19.907 -3.069 0.220) 20.143 21.014 ( 21.703 8.771 5.879) 24.135 21.373 ( 19.641 -8.467 16.559) 27.049 21.856 ( -10.338 0.173 -0.165) 10.340 21.869 ( -9.833 -0.347 -0.570) 9.856 21.899 ( -9.139 1.045 0.969) 9.250 21.971 ( -8.217 -2.607 0.123) 8.622 22.109 ( -5.179 3.288 -0.138) 6.136 22.213 ( -1.526 -1.881 -0.277) 2.438 27.052 ( 1.110 -0.120 -0.944) 1.463 27.065 ( 0.061 -0.820 0.113) 0.830 27.091 ( -0.631 0.407 0.696) 1.023 27.093 ( -0.279 0.427 -0.337) 0.611 27.591 ( -0.474 0.391 -0.036) 0.616 27.610 ( -1.251 -0.068 0.633) 1.404 27.622 ( -0.611 -0.370 -0.857) 1.115 27.628 ( -1.508 -0.249 0.505) 1.610 27.787 ( 1.513 0.358 -0.262) 1.577 27.803 ( 0.624 -0.338 0.513) 0.875 27.943 ( -2.760 0.102 -0.585) 2.823 27.946 ( -2.371 -0.052 -0.942) 2.552 36.709 ( 4.365 1.099 1.384) 4.709 36.756 ( 3.340 -1.059 3.094) 4.675 37.104 ( 0.884 1.862 -2.422) 3.180 37.220 ( 0.493 -2.631 -3.512) 4.416 37.287 ( 2.193 2.412 -2.848) 4.329 37.297 ( 1.675 -0.118 -6.772) 6.977 37.318 ( 1.637 -2.757 -3.666) 4.870 37.452 ( -0.613 -5.863 -9.074) 10.820 37.758 ( 10.821 2.561 0.419) 11.128 37.802 ( 12.237 0.291 -0.264) 12.243 38.051 ( -1.960 13.271 2.923) 13.730 38.134 ( 2.637 3.493 -3.584) 5.657 38.246 ( 1.894 -0.594 6.846) 7.128 38.326 ( 2.897 -4.212 0.309) 5.121 38.464 ( 5.836 5.818 -1.674) 8.409 38.531 ( 7.098 4.367 4.659) 9.548 38.629 ( 4.750 -2.333 8.345) 9.882 38.838 ( -10.924 -8.195 2.855) 13.952 39.028 ( -20.624 6.679 -15.128) 26.435 39.447 ( -23.964 -8.948 -5.135) 26.091 39.699 ( -23.836 -1.591 -2.370) 24.006 39.778 ( -22.653 -2.334 2.931) 22.961 39.952 ( -25.486 5.454 -1.069) 26.085 40.100 ( -27.093 -1.254 -4.428) 27.481 ======================= Grid point 172 (89/96) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 7.717 5.393 -4.466) 10.420 1.883 ( 14.277 -5.852 -6.179) 16.621 1.961 ( 1.342 2.593 -0.359) 2.941 2.066 ( 5.035 -4.684 -8.388) 10.847 2.271 ( -3.928 -0.078 1.680) 4.273 2.302 ( -4.238 4.392 -2.047) 6.437 2.451 ( -1.910 3.015 -4.748) 5.940 2.493 ( -1.307 2.471 -3.573) 4.537 2.597 ( 3.024 -1.951 4.689) 5.911 2.697 ( 1.067 -0.374 0.985) 1.500 2.917 ( 1.670 4.653 2.452) 5.519 3.018 ( -1.566 0.897 -2.710) 3.256 3.068 ( -2.596 1.785 -6.889) 7.575 3.094 ( 3.470 0.861 0.865) 3.678 3.223 ( -1.346 -6.971 -1.818) 7.329 3.359 ( -6.117 -8.733 2.451) 10.940 3.478 ( 3.226 4.342 0.914) 5.486 3.591 ( 2.236 -2.179 7.719) 8.327 3.773 ( 1.482 6.359 5.010) 8.230 3.806 ( 6.669 6.375 -0.036) 9.226 3.888 ( 1.760 3.675 -4.475) 6.052 3.977 ( 2.070 3.225 -1.521) 4.123 4.107 ( -2.915 -2.304 5.755) 6.850 4.142 ( -5.540 -2.137 6.460) 8.775 4.287 ( 1.699 2.122 -6.905) 7.421 4.481 ( 0.406 -4.350 3.932) 5.877 4.562 ( -3.208 1.253 -5.362) 6.373 4.665 ( -1.722 -2.077 -4.343) 5.113 4.827 ( 7.299 7.362 7.031) 12.526 4.932 ( 7.759 2.039 2.344) 8.357 5.058 ( 7.967 5.314 0.916) 9.620 5.087 ( 5.048 -0.914 -2.358) 5.646 5.205 ( 2.333 -2.487 -0.150) 3.413 5.251 ( 3.100 -2.949 -4.339) 6.094 5.336 ( -5.682 2.101 2.414) 6.521 5.439 ( -1.953 -3.177 4.272) 5.671 5.567 ( 7.550 1.828 0.048) 7.768 5.620 ( 3.116 -1.867 -2.304) 4.302 5.680 ( 5.250 -6.350 0.413) 8.250 5.738 ( 4.541 -2.140 -3.508) 6.124 5.887 ( 8.627 0.933 2.955) 9.167 5.988 ( 2.935 -0.871 0.208) 3.068 6.032 ( -2.072 -0.884 1.043) 2.482 6.107 ( -2.132 0.233 -3.154) 3.814 6.204 ( -4.047 1.410 2.983) 5.221 6.246 ( 2.303 1.133 -4.242) 4.958 6.295 ( 2.391 -1.536 1.124) 3.056 6.398 ( 1.887 0.538 2.155) 2.914 6.511 ( 1.047 8.014 2.925) 8.595 6.622 ( 3.161 2.787 1.497) 4.473 6.711 ( -3.227 -1.857 2.580) 4.529 6.751 ( -0.249 -1.967 0.019) 1.983 6.884 ( 1.588 1.583 1.730) 2.832 6.932 ( -3.769 0.302 -6.331) 7.374 6.980 ( 8.726 0.125 2.085) 8.973 7.150 ( 6.338 -4.281 3.164) 8.277 7.163 ( 14.968 -2.321 0.147) 15.148 7.225 ( 5.727 0.404 -1.729) 5.996 7.303 ( 2.340 -3.113 -0.812) 3.978 7.396 ( 11.051 -6.008 -4.708) 13.430 7.447 ( 3.093 -10.810 -3.213) 11.694 7.473 ( -1.825 7.305 -0.887) 7.582 7.585 ( 1.500 -7.539 -5.126) 9.239 7.626 ( 8.834 0.996 -1.443) 9.006 7.685 ( 7.560 1.273 -0.627) 7.692 7.715 ( 9.345 1.544 -1.162) 9.542 7.866 ( 1.258 -5.448 -3.564) 6.631 7.887 ( -4.613 -2.399 -3.902) 6.500 7.934 ( 0.328 0.327 8.198) 8.211 7.983 ( 6.075 0.034 2.186) 6.457 8.029 ( -5.920 2.290 3.790) 7.394 8.115 ( -4.055 1.808 4.330) 6.202 8.192 ( 6.871 0.911 0.273) 6.937 8.289 ( -3.651 1.187 1.917) 4.291 8.317 ( 2.742 2.460 2.776) 4.613 8.347 ( 3.277 1.308 1.061) 3.685 8.397 ( -0.463 -3.918 -1.382) 4.180 8.421 ( -2.227 -3.485 -1.539) 4.413 8.538 ( -0.020 2.139 0.428) 2.181 8.617 ( 3.005 0.197 4.235) 5.197 8.628 ( 3.624 -3.396 1.892) 5.315 8.662 ( -0.614 1.524 -2.000) 2.588 8.717 ( 3.741 5.262 -1.585) 6.648 8.802 ( -2.613 4.686 -2.301) 5.838 8.884 ( -3.507 1.057 4.494) 5.798 8.942 ( -3.295 0.048 -7.799) 8.466 8.982 ( -2.744 -1.140 -1.143) 3.183 9.047 ( -2.049 -1.430 -3.040) 3.935 9.145 ( -2.398 4.159 3.626) 6.016 9.182 ( 3.052 1.039 -0.130) 3.226 9.220 ( 0.355 0.917 8.901) 8.955 9.246 ( -0.783 0.232 1.507) 1.714 9.313 ( -2.525 4.942 1.173) 5.673 9.375 ( -5.071 2.612 0.070) 5.705 9.480 ( 2.057 -2.616 6.873) 7.636 9.533 ( -5.639 0.599 0.346) 5.682 9.671 ( -3.828 -4.179 -2.931) 6.380 9.723 ( -3.028 4.656 -1.443) 5.739 9.759 ( -9.903 -3.995 -1.005) 10.726 9.847 ( -4.179 -1.499 -4.652) 6.431 9.879 ( 5.005 -0.170 0.657) 5.051 9.985 ( -4.403 -1.484 -3.062) 5.565 10.043 ( -3.760 0.863 -1.128) 4.020 10.085 ( -0.752 -1.426 7.169) 7.348 10.248 ( -10.023 2.510 -0.196) 10.334 10.265 ( -15.922 2.487 2.536) 16.313 10.433 ( -3.187 1.234 -6.575) 7.410 10.507 ( -7.494 -3.380 -3.082) 8.780 10.733 ( -2.780 2.363 4.374) 5.696 10.844 ( -4.940 2.291 -2.798) 6.122 10.967 ( 1.341 0.703 5.529) 5.733 11.175 ( -3.895 -4.114 -9.875) 11.385 11.516 ( 0.685 0.892 7.076) 7.165 11.631 ( -0.557 -4.590 2.078) 5.070 11.796 ( -4.481 4.446 -6.520) 9.075 11.972 ( -11.489 -4.192 -6.362) 13.786 12.783 ( 6.687 -0.082 3.845) 7.714 12.845 ( 4.026 -2.402 8.151) 9.403 12.910 ( 1.577 5.386 0.464) 5.631 13.077 ( -1.631 -1.800 -5.510) 6.022 14.036 ( 1.080 0.822 0.301) 1.390 14.083 ( -0.712 -1.198 -2.431) 2.802 14.199 ( 0.391 1.039 -2.434) 2.675 14.285 ( -6.352 -4.055 5.116) 9.108 14.686 ( -0.774 2.026 6.077) 6.452 14.710 ( 0.980 1.098 -6.006) 6.183 14.720 ( -3.337 0.150 2.194) 3.997 14.773 ( -0.335 -1.210 -6.114) 6.241 16.513 ( 0.507 0.347 10.313) 10.331 16.533 ( -0.009 -0.513 9.659) 9.673 16.596 ( 3.350 0.477 -5.430) 6.398 16.621 ( 2.326 -0.520 -6.284) 6.721 17.008 ( 0.919 0.405 3.279) 3.429 17.050 ( 0.780 -0.457 -3.074) 3.204 17.103 ( 0.753 0.805 -0.699) 1.305 17.140 ( -0.014 0.362 -4.200) 4.216 17.436 ( 1.776 -1.213 0.304) 2.172 17.457 ( 1.075 -1.618 -3.203) 3.746 17.528 ( -2.451 0.865 1.550) 3.027 17.553 ( -2.051 -0.105 0.988) 2.279 17.650 ( -0.594 1.315 3.731) 4.000 17.708 ( 0.818 0.388 -5.018) 5.099 17.750 ( -3.472 1.537 6.717) 7.717 17.780 ( 0.851 1.007 -5.500) 5.656 17.890 ( 3.594 0.072 2.166) 4.197 17.959 ( -0.327 -1.383 4.175) 4.411 18.022 ( 0.448 -0.644 6.014) 6.065 18.057 ( 0.122 -0.873 2.369) 2.528 18.148 ( -0.608 1.462 -6.118) 6.319 18.167 ( -3.087 1.465 -1.541) 3.749 18.201 ( -0.024 -0.222 -5.039) 5.044 18.267 ( -2.470 -2.132 -2.778) 4.286 18.671 ( -0.841 2.248 3.413) 4.173 18.695 ( 0.900 1.368 -3.546) 3.905 18.808 ( 0.701 -1.395 -1.948) 2.496 18.833 ( -1.561 -1.855 0.423) 2.461 21.050 ( 19.240 0.971 -0.911) 19.286 21.054 ( 19.243 0.794 -1.251) 19.300 21.088 ( 18.656 -0.778 -3.140) 18.934 21.139 ( 18.826 -4.150 1.123) 19.311 21.384 ( 14.587 8.445 3.677) 17.251 21.603 ( -7.230 -1.895 2.812) 7.985 21.645 ( -13.501 0.455 0.490) 13.518 21.663 ( -13.374 0.233 0.065) 13.377 21.797 ( -7.975 -2.647 1.080) 8.472 21.858 ( 2.198 -4.071 8.153) 9.374 21.997 ( -6.539 4.136 0.246) 7.741 22.166 ( -2.963 -3.392 -2.506) 5.154 27.064 ( 0.551 -0.391 -0.228) 0.713 27.067 ( 0.304 -0.501 -0.389) 0.704 27.085 ( -0.165 0.462 -0.093) 0.500 27.089 ( -0.397 0.217 0.557) 0.717 27.588 ( -0.083 0.258 0.242) 0.363 27.597 ( -0.683 0.168 0.450) 0.835 27.608 ( -0.542 -0.447 -0.120) 0.713 27.611 ( -0.509 -0.318 -0.203) 0.634 27.816 ( 1.781 0.084 0.125) 1.787 27.820 ( 0.991 -0.109 0.551) 1.139 27.894 ( -2.293 0.180 -0.511) 2.356 27.900 ( -2.103 -0.114 -0.828) 2.263 36.820 ( 5.850 0.523 4.662) 7.499 36.849 ( 3.961 -0.705 5.018) 6.431 37.073 ( -2.300 0.845 -5.884) 6.374 37.152 ( -2.559 -2.171 -5.126) 6.127 37.223 ( -2.561 2.275 -5.333) 6.338 37.287 ( -1.685 -1.503 -6.226) 6.623 37.355 ( 3.472 -1.969 -1.029) 4.121 37.389 ( 1.158 -2.153 -4.400) 5.033 37.919 ( 4.365 5.696 -4.736) 8.598 37.970 ( 9.912 6.410 0.424) 11.812 38.032 ( -1.410 10.841 3.485) 11.474 38.279 ( 13.153 0.051 -0.302) 13.156 38.336 ( 0.286 -0.736 9.985) 10.016 38.422 ( 11.258 -6.725 -2.957) 13.443 38.512 ( -14.135 2.568 -2.203) 14.534 38.586 ( 9.759 0.839 -3.989) 10.576 38.709 ( 6.852 4.106 7.293) 10.816 38.795 ( 8.011 -3.553 -0.927) 8.812 38.901 ( 1.602 -3.553 4.579) 6.013 39.059 ( -15.168 -11.471 -4.656) 19.579 39.277 ( -20.696 1.182 -1.472) 20.782 39.385 ( -25.821 -2.753 6.171) 26.691 39.520 ( -20.896 4.703 -3.659) 21.729 39.611 ( -23.083 1.067 -6.407) 23.979 ======================= Grid point 173 (90/96) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -8.648 5.207 -4.215) 10.940 1.831 ( 8.649 5.207 4.215) 10.940 2.039 ( -5.316 -5.861 -3.149) 8.516 2.039 ( 5.316 -5.861 3.149) 8.516 2.297 ( -4.688 3.746 -6.767) 9.045 2.297 ( 4.688 3.746 6.767) 9.045 2.401 ( -6.135 1.912 -2.897) 7.049 2.401 ( 6.135 1.912 2.897) 7.049 2.674 ( -1.128 -3.997 -4.346) 6.012 2.674 ( 1.128 -3.997 4.346) 6.012 2.970 ( -1.457 0.288 -5.610) 5.803 2.970 ( 1.457 0.288 5.610) 5.803 3.073 ( -0.212 2.257 -1.836) 2.917 3.073 ( 0.212 2.257 1.836) 2.917 3.249 ( 6.806 -5.776 -4.908) 10.187 3.249 ( -6.806 -5.776 4.908) 10.187 3.582 ( -5.450 6.447 -0.868) 8.487 3.582 ( 5.450 6.447 0.868) 8.487 3.847 ( -3.597 2.431 -3.876) 5.820 3.847 ( 3.597 2.431 3.876) 5.820 3.947 ( 7.421 -0.191 -3.305) 8.126 3.947 ( -7.421 -0.191 3.305) 8.126 4.094 ( 1.814 0.667 -4.148) 4.576 4.094 ( -1.814 0.667 4.148) 4.576 4.389 ( -8.053 2.809 -3.664) 9.282 4.389 ( 8.053 2.809 3.664) 9.282 4.570 ( -3.067 -5.072 -5.474) 8.068 4.570 ( 3.067 -5.072 5.474) 8.068 4.979 ( -2.327 6.253 -4.997) 8.336 4.979 ( 2.327 6.253 4.997) 8.336 5.152 ( 1.202 0.264 -3.072) 3.309 5.152 ( -1.202 0.264 3.072) 3.309 5.201 ( 1.474 1.994 -5.174) 5.738 5.201 ( -1.474 1.994 5.174) 5.738 5.368 ( -3.161 -5.987 -2.212) 7.122 5.368 ( 3.161 -5.987 2.212) 7.122 5.645 ( 0.246 4.043 -1.563) 4.341 5.645 ( -0.246 4.043 1.563) 4.341 5.766 ( 0.815 -1.849 -4.178) 4.641 5.766 ( -0.815 -1.849 4.178) 4.641 5.968 ( -1.067 -2.000 -1.172) 2.552 5.968 ( 1.067 -2.000 1.172) 2.552 6.065 ( -3.634 0.200 -1.781) 4.052 6.065 ( 3.634 0.200 1.781) 4.052 6.189 ( 0.601 -2.730 -6.851) 7.399 6.189 ( -0.601 -2.730 6.851) 7.399 6.385 ( -3.520 0.783 -1.388) 3.864 6.385 ( 3.520 0.783 1.388) 3.864 6.604 ( -6.621 4.947 -0.930) 8.317 6.604 ( 6.621 4.947 0.930) 8.317 6.699 ( -2.454 -1.834 -4.354) 5.324 6.699 ( 2.454 -1.834 4.354) 5.324 6.902 ( -0.402 -0.078 -3.789) 3.811 6.902 ( 0.402 -0.078 3.789) 3.811 7.140 ( -5.277 0.152 -4.138) 6.708 7.140 ( 5.277 0.152 4.138) 6.708 7.294 ( -1.455 -4.606 -3.330) 5.867 7.294 ( 1.455 -4.606 3.330) 5.867 7.352 ( -4.368 -0.501 0.844) 4.477 7.352 ( 4.368 -0.501 -0.844) 4.477 7.487 ( 0.406 -4.000 -2.497) 4.733 7.487 ( -0.406 -4.000 2.497) 4.733 7.654 ( -3.505 -2.566 -2.348) 4.938 7.654 ( 3.505 -2.566 2.348) 4.938 7.798 ( -0.092 0.122 -1.292) 1.301 7.798 ( 0.092 0.122 1.292) 1.301 7.856 ( -2.046 -0.282 -3.532) 4.092 7.856 ( 2.046 -0.282 3.532) 4.092 7.961 ( -5.918 -1.857 0.521) 6.224 7.961 ( 5.918 -1.857 -0.521) 6.224 8.052 ( 1.629 0.869 -3.279) 3.763 8.052 ( -1.629 0.869 3.279) 3.763 8.260 ( -3.953 1.843 -0.947) 4.463 8.260 ( 3.953 1.843 0.947) 4.463 8.334 ( -2.744 -1.152 -2.557) 3.924 8.334 ( 2.744 -1.152 2.557) 3.924 8.454 ( -2.406 0.136 -2.157) 3.234 8.454 ( 2.406 0.136 2.157) 3.234 8.566 ( -3.463 -1.036 -8.225) 8.984 8.566 ( 3.463 -1.036 8.225) 8.984 8.675 ( -3.070 4.834 -6.158) 8.409 8.675 ( 3.070 4.834 6.158) 8.409 8.762 ( 3.079 1.821 -2.555) 4.396 8.762 ( -3.079 1.821 2.555) 4.396 8.879 ( 1.788 1.241 -6.699) 7.044 8.879 ( -1.788 1.241 6.699) 7.044 8.969 ( -1.144 0.418 -3.676) 3.873 8.969 ( 1.144 0.418 3.676) 3.873 9.175 ( -3.653 -1.450 -1.991) 4.406 9.175 ( 3.653 -1.450 1.991) 4.406 9.237 ( -3.341 -1.988 0.278) 3.898 9.237 ( 3.341 -1.988 -0.278) 3.898 9.307 ( -0.756 6.051 -0.105) 6.099 9.307 ( 0.756 6.051 0.105) 6.099 9.516 ( -1.631 -2.990 -1.820) 3.861 9.516 ( 1.631 -2.990 1.820) 3.861 9.654 ( 0.397 0.531 -2.445) 2.533 9.654 ( -0.397 0.531 2.445) 2.533 9.724 ( -3.344 1.700 -2.488) 4.502 9.724 ( 3.344 1.700 2.488) 4.502 9.976 ( -5.607 0.462 -1.392) 5.795 9.976 ( 5.607 0.462 1.392) 5.795 10.031 ( -8.806 -0.085 0.230) 8.810 10.031 ( 8.806 -0.085 -0.230) 8.810 10.130 ( 1.878 -0.358 -1.933) 2.719 10.130 ( -1.878 -0.358 1.933) 2.719 10.403 ( -1.978 -2.961 -3.962) 5.327 10.403 ( 1.978 -2.961 3.962) 5.327 10.754 ( 0.498 4.268 -6.863) 8.097 10.754 ( -0.498 4.268 6.863) 8.097 11.059 ( -1.219 -2.895 -9.610) 10.110 11.059 ( 1.219 -2.895 9.609) 10.110 11.598 ( -2.537 -0.152 -5.906) 6.430 11.598 ( 2.537 -0.152 5.906) 6.430 11.774 ( -5.048 -0.430 -3.826) 6.349 11.774 ( 5.048 -0.430 3.826) 6.349 12.888 ( 0.924 0.628 -3.442) 3.619 12.888 ( -0.924 0.628 3.442) 3.619 12.983 ( -2.855 -0.116 -7.491) 8.018 12.983 ( 2.855 -0.116 7.491) 8.018 14.056 ( 0.260 0.378 -2.912) 2.948 14.056 ( -0.260 0.378 2.912) 2.948 14.221 ( 4.998 -2.342 -5.817) 8.019 14.221 ( -4.998 -2.342 5.817) 8.019 14.695 ( 2.003 0.378 -4.129) 4.604 14.695 ( -2.003 0.378 4.129) 4.604 14.726 ( -0.083 0.492 -5.522) 5.545 14.726 ( 0.083 0.492 5.522) 5.545 16.579 ( 1.081 0.107 -7.804) 7.880 16.579 ( -1.081 0.107 7.804) 7.880 16.595 ( 0.872 -0.111 -7.553) 7.604 16.595 ( -0.872 -0.111 7.553) 7.604 17.039 ( 1.025 0.167 -4.333) 4.455 17.039 ( -1.025 0.167 4.333) 4.455 17.115 ( 0.266 0.160 -2.641) 2.659 17.115 ( -0.266 0.160 2.641) 2.659 17.457 ( 1.060 -0.539 -2.604) 2.863 17.457 ( -1.060 -0.539 2.604) 2.863 17.521 ( -0.984 -0.557 -0.622) 1.290 17.521 ( 0.984 -0.557 0.622) 1.290 17.677 ( 0.886 0.745 -5.920) 6.032 17.677 ( -0.886 0.745 5.920) 6.032 17.757 ( 1.989 1.727 -7.090) 7.564 17.757 ( -1.989 1.727 7.090) 7.564 17.956 ( 1.232 -1.849 -2.701) 3.497 17.956 ( -1.232 -1.849 2.701) 3.497 18.076 ( -1.471 -0.478 -0.461) 1.614 18.076 ( 1.471 -0.478 0.461) 1.614 18.101 ( 0.774 1.804 -2.188) 2.939 18.101 ( -0.774 1.804 2.188) 2.939 18.212 ( -1.492 -0.851 -0.857) 1.920 18.212 ( 1.492 -0.851 0.857) 1.920 18.683 ( 1.054 1.753 -4.125) 4.604 18.683 ( -1.054 1.753 4.125) 4.604 18.814 ( 1.095 -1.531 -1.261) 2.266 18.814 ( -1.095 -1.531 1.261) 2.266 21.335 ( -1.501 0.376 -0.291) 1.575 21.335 ( 1.501 0.376 0.291) 1.575 21.359 ( -6.402 -0.594 -0.300) 6.437 21.359 ( 6.402 -0.594 0.300) 6.437 21.399 ( 2.500 0.834 -2.092) 3.365 21.399 ( -2.500 0.834 2.092) 3.365 21.472 ( -6.020 -1.921 -1.794) 6.569 21.472 ( 6.020 -1.921 1.794) 6.569 21.795 ( -7.864 5.683 -3.340) 10.261 21.795 ( 7.864 5.683 3.340) 10.261 22.063 ( -5.039 -5.072 -6.652) 9.766 22.063 ( 5.039 -5.072 6.652) 9.766 27.068 ( 0.242 -0.300 -0.814) 0.901 27.068 ( -0.242 -0.300 0.814) 0.901 27.086 ( 0.479 0.175 -0.742) 0.901 27.086 ( -0.479 0.175 0.742) 0.901 27.591 ( 0.003 0.219 -0.447) 0.498 27.591 ( -0.003 0.219 0.447) 0.498 27.604 ( 0.516 -0.385 -1.439) 1.577 27.604 ( -0.516 -0.385 1.439) 1.577 27.841 ( -0.050 -0.042 -0.471) 0.476 27.841 ( 0.050 -0.042 0.471) 0.476 27.866 ( -0.364 0.058 -0.480) 0.605 27.866 ( 0.364 0.058 0.480) 0.605 36.955 ( -3.279 -0.426 -5.579) 6.485 36.955 ( 3.279 -0.426 5.579) 6.485 36.997 ( -6.138 -0.721 -7.404) 9.645 36.997 ( 6.138 -0.721 7.404) 9.645 37.219 ( -2.171 1.786 -1.821) 3.349 37.219 ( 2.171 1.786 1.821) 3.349 37.387 ( -0.125 -2.069 -0.998) 2.300 37.387 ( 0.125 -2.069 0.998) 2.300 37.956 ( 4.361 10.968 -5.348) 12.958 37.956 ( -4.361 10.968 5.348) 12.958 38.237 ( -14.084 -0.515 1.234) 14.147 38.237 ( 14.084 -0.515 -1.234) 14.147 38.392 ( 3.883 -0.115 -9.350) 10.125 38.392 ( -3.883 -0.115 9.350) 10.125 38.708 ( -6.476 -7.316 -5.557) 11.241 38.708 ( 6.476 -7.316 5.557) 11.241 38.773 ( -1.126 -1.692 -9.183) 9.405 38.773 ( 1.126 -1.692 9.183) 9.405 38.951 ( 9.771 -3.364 -4.128) 11.128 38.951 ( -9.771 -3.364 4.128) 11.128 39.131 ( -4.748 3.102 -1.022) 5.763 39.131 ( 4.748 3.102 1.022) 5.763 39.265 ( -2.729 1.820 -6.303) 7.105 39.265 ( 2.729 1.820 6.303) 7.105 ======================= Grid point 179 (91/96) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -0.000 -0.000 0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.827 ( -0.000 0.000 -0.000) 0.000 1.827 ( 0.000 0.000 0.000) 0.000 1.934 ( -0.000 0.000 -0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 -0.000 -0.000) 0.000 2.353 ( 0.000 0.000 -0.000) 0.000 2.356 ( -0.000 -0.000 0.000) 0.000 2.356 ( -0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 2.970 ( -0.000 0.000 0.000) 0.000 3.397 ( -0.000 0.000 0.000) 0.000 3.397 ( 0.000 -0.000 0.000) 0.000 3.457 ( -0.000 0.000 0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 3.589 ( -0.000 0.000 -0.000) 0.000 3.589 ( 0.000 0.000 0.000) 0.000 3.875 ( -0.000 -0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 4.060 ( 0.000 -0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.099 ( -0.000 -0.000 0.000) 0.000 4.099 ( -0.000 0.000 0.000) 0.000 4.261 ( 0.000 -0.000 -0.000) 0.000 4.261 ( -0.000 0.000 0.000) 0.000 4.276 ( 0.000 -0.000 0.000) 0.000 4.276 ( -0.000 0.000 0.000) 0.000 4.570 ( -0.000 0.000 -0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.586 ( -0.000 -0.000 -0.000) 0.000 4.586 ( 0.000 -0.000 0.000) 0.000 4.864 ( 0.000 -0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 5.123 ( -0.000 0.000 0.000) 0.000 5.123 ( -0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 -0.000 0.000) 0.000 5.516 ( -0.000 0.000 0.000) 0.000 5.516 ( 0.000 0.000 0.000) 0.000 5.854 ( -0.000 -0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 5.863 ( -0.000 -0.000 -0.000) 0.000 5.863 ( -0.000 0.000 0.000) 0.000 5.989 ( 0.000 -0.000 0.000) 0.000 5.989 ( -0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.280 ( -0.000 -0.000 -0.000) 0.000 6.280 ( 0.000 0.000 0.000) 0.000 6.330 ( -0.000 0.000 -0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.572 ( -0.000 -0.000 0.000) 0.000 6.572 ( -0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 -0.000) 0.000 6.848 ( -0.000 0.000 0.000) 0.000 6.886 ( -0.000 0.000 0.000) 0.000 6.886 ( -0.000 -0.000 0.000) 0.000 7.116 ( 0.000 0.000 -0.000) 0.000 7.116 ( -0.000 0.000 0.000) 0.000 7.183 ( -0.000 0.000 0.000) 0.000 7.183 ( -0.000 -0.000 0.000) 0.000 7.471 ( -0.000 0.000 -0.000) 0.000 7.471 ( 0.000 0.000 0.000) 0.000 7.505 ( -0.000 0.000 0.000) 0.000 7.505 ( 0.000 0.000 0.000) 0.000 7.720 ( -0.000 0.000 0.000) 0.000 7.720 ( -0.000 0.000 0.000) 0.000 7.772 ( 0.000 0.000 -0.000) 0.000 7.772 ( 0.000 0.000 -0.000) 0.000 8.005 ( -0.000 0.000 0.000) 0.000 8.005 ( -0.000 0.000 0.000) 0.000 8.096 ( -0.000 -0.000 0.000) 0.000 8.096 ( 0.000 0.000 0.000) 0.000 8.109 ( -0.000 0.000 -0.000) 0.000 8.109 ( 0.000 0.000 0.000) 0.000 8.398 ( -0.000 0.000 0.000) 0.000 8.398 ( -0.000 0.000 0.000) 0.000 8.492 ( 0.000 -0.000 -0.000) 0.000 8.492 ( -0.000 0.000 0.000) 0.000 8.621 ( 0.000 0.000 0.000) 0.000 8.621 ( -0.000 0.000 0.000) 0.000 8.806 ( 0.000 0.000 0.000) 0.000 8.806 ( 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 9.059 ( 0.000 0.000 0.000) 0.000 9.059 ( -0.000 0.000 0.000) 0.000 9.256 ( -0.000 0.000 0.000) 0.000 9.256 ( -0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 9.642 ( -0.000 -0.000 0.000) 0.000 9.642 ( 0.000 0.000 -0.000) 0.000 9.643 ( -0.000 -0.000 -0.000) 0.000 9.643 ( -0.000 0.000 0.000) 0.000 9.872 ( 0.000 0.000 0.000) 0.000 9.872 ( -0.000 0.000 0.000) 0.000 10.037 ( -0.000 0.000 0.000) 0.000 10.037 ( -0.000 0.000 0.000) 0.000 10.277 ( -0.000 0.000 -0.000) 0.000 10.277 ( -0.000 0.000 0.000) 0.000 10.432 ( -0.000 -0.000 0.000) 0.000 10.432 ( -0.000 0.000 0.000) 0.000 10.895 ( -0.000 -0.000 0.000) 0.000 10.895 ( 0.000 0.000 0.000) 0.000 10.908 ( -0.000 0.000 0.000) 0.000 10.908 ( -0.000 0.000 0.000) 0.000 11.398 ( -0.000 0.000 0.000) 0.000 11.398 ( -0.000 0.000 0.000) 0.000 11.549 ( 0.000 -0.000 0.000) 0.000 11.549 ( 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 12.267 ( 0.000 -0.000 0.000) 0.000 12.267 ( 0.000 0.000 0.000) 0.000 12.449 ( -0.000 0.000 0.000) 0.000 12.449 ( 0.000 0.000 0.000) 0.000 12.749 ( -0.000 0.000 0.000) 0.000 12.749 ( 0.000 0.000 0.000) 0.000 14.348 ( 0.000 -0.000 -0.000) 0.000 14.348 ( 0.000 -0.000 0.000) 0.000 14.358 ( -0.000 0.000 -0.000) 0.000 14.358 ( -0.000 0.000 0.000) 0.000 14.823 ( -0.000 0.000 0.000) 0.000 14.823 ( 0.000 0.000 0.000) 0.000 14.910 ( 0.000 0.000 0.000) 0.000 14.910 ( 0.000 0.000 0.000) 0.000 16.293 ( 0.000 -0.000 -0.000) 0.000 16.293 ( 0.000 0.000 0.000) 0.000 16.315 ( -0.000 -0.000 0.000) 0.000 16.315 ( -0.000 0.000 0.000) 0.000 16.918 ( -0.000 0.000 0.000) 0.000 16.918 ( -0.000 0.000 0.000) 0.000 17.366 ( -0.000 -0.000 0.000) 0.000 17.366 ( -0.000 0.000 0.000) 0.000 17.422 ( 0.000 -0.000 0.000) 0.000 17.422 ( 0.000 0.000 0.000) 0.000 17.626 ( -0.000 -0.000 -0.000) 0.000 17.626 ( 0.000 0.000 0.000) 0.000 17.653 ( 0.000 -0.000 0.000) 0.000 17.653 ( 0.000 0.000 0.000) 0.000 17.820 ( -0.000 0.000 0.000) 0.000 17.820 ( 0.000 0.000 0.000) 0.000 17.911 ( -0.000 0.000 0.000) 0.000 17.911 ( -0.000 0.000 0.000) 0.000 17.978 ( -0.000 0.000 0.000) 0.000 17.978 ( 0.000 0.000 0.000) 0.000 18.349 ( 0.000 0.000 0.000) 0.000 18.349 ( -0.000 0.000 0.000) 0.000 18.387 ( -0.000 -0.000 0.000) 0.000 18.387 ( -0.000 0.000 0.000) 0.000 18.753 ( -0.000 -0.000 0.000) 0.000 18.753 ( -0.000 0.000 0.000) 0.000 18.904 ( 0.000 0.000 0.000) 0.000 18.904 ( -0.000 0.000 0.000) 0.000 20.054 ( 0.000 0.000 0.000) 0.000 20.054 ( 0.000 0.000 0.000) 0.000 20.076 ( -0.000 0.000 0.000) 0.000 20.076 ( -0.000 0.000 0.000) 0.000 20.118 ( -0.000 0.000 0.000) 0.000 20.118 ( 0.000 0.000 0.000) 0.000 22.143 ( -0.000 -0.000 -0.000) 0.000 22.143 ( 0.000 0.000 0.000) 0.000 22.144 ( -0.000 0.000 -0.000) 0.000 22.144 ( 0.000 0.000 0.000) 0.000 22.226 ( -0.000 0.000 0.000) 0.000 22.226 ( -0.000 0.000 0.000) 0.000 27.047 ( -0.000 0.000 0.000) 0.000 27.047 ( -0.000 0.000 0.000) 0.000 27.105 ( 0.000 0.000 0.000) 0.000 27.105 ( -0.000 0.000 0.000) 0.000 27.661 ( 0.000 0.000 -0.000) 0.000 27.661 ( 0.000 0.000 0.000) 0.000 27.666 ( -0.000 0.000 0.000) 0.000 27.666 ( -0.000 0.000 0.000) 0.000 27.770 ( 0.000 0.000 0.000) 0.000 27.770 ( -0.000 0.000 0.000) 0.000 28.054 ( -0.000 0.000 0.000) 0.000 28.054 ( -0.000 0.000 0.000) 0.000 36.615 ( 0.000 0.000 0.000) 0.000 36.615 ( -0.000 0.000 0.000) 0.000 37.088 ( -0.000 0.000 0.000) 0.000 37.088 ( -0.000 0.000 0.000) 0.000 37.234 ( -0.000 -0.000 -0.000) 0.000 37.234 ( -0.000 0.000 0.000) 0.000 37.286 ( 0.000 -0.000 0.000) 0.000 37.286 ( 0.000 0.000 0.000) 0.000 37.664 ( -0.000 0.000 0.000) 0.000 37.664 ( -0.000 0.000 0.000) 0.000 38.132 ( -0.000 0.000 -0.000) 0.000 38.132 ( 0.000 0.000 0.000) 0.000 38.169 ( -0.000 -0.000 0.000) 0.000 38.169 ( 0.000 0.000 0.000) 0.000 38.425 ( -0.000 0.000 0.000) 0.000 38.425 ( -0.000 0.000 0.000) 0.000 38.650 ( -0.000 -0.000 0.000) 0.000 38.650 ( 0.000 0.000 0.000) 0.000 40.480 ( 0.000 -0.000 0.000) 0.000 40.480 ( 0.000 0.000 0.000) 0.000 40.487 ( -0.000 -0.000 -0.000) 0.000 40.487 ( -0.000 0.000 -0.000) 0.000 41.057 ( -0.000 0.000 0.000) 0.000 41.057 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 183 (92/96) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 6.804 -11.227 -19.299) 23.341 1.550 ( 6.804 11.227 -19.299) 23.341 1.701 ( 5.770 -4.905 -11.369) 13.660 1.701 ( 5.770 4.905 -11.369) 13.660 2.178 ( 7.861 -5.288 13.204) 16.251 2.178 ( 7.861 5.288 13.204) 16.251 2.350 ( -1.716 -7.283 10.737) 13.087 2.350 ( -1.716 7.283 10.737) 13.087 2.408 ( 5.762 -7.844 -1.402) 9.834 2.408 ( 5.762 7.844 -1.402) 9.834 2.985 ( 1.018 -4.829 1.624) 5.195 2.985 ( 1.018 4.829 1.624) 5.195 3.297 ( -6.508 -2.049 -6.205) 9.222 3.297 ( -6.508 2.049 -6.205) 9.222 3.444 ( 0.026 -2.178 -2.319) 3.181 3.444 ( 0.026 2.178 -2.319) 3.181 3.555 ( -3.588 -6.888 -2.110) 8.048 3.555 ( -3.588 6.888 -2.110) 8.048 3.845 ( -3.421 -4.051 -2.747) 5.972 3.845 ( -3.421 4.051 -2.747) 5.972 4.055 ( -1.580 -7.105 3.868) 8.242 4.055 ( -1.580 7.105 3.868) 8.242 4.134 ( 2.141 -7.609 2.679) 8.346 4.134 ( 2.141 7.609 2.679) 8.346 4.259 ( 4.113 -7.930 -7.105) 11.414 4.259 ( 4.113 7.930 -7.105) 11.414 4.351 ( 3.595 -1.611 4.838) 6.239 4.351 ( 3.595 1.611 4.838) 6.239 4.512 ( 2.414 -5.370 -1.901) 6.186 4.512 ( 2.414 5.370 -1.901) 6.186 4.725 ( 7.418 -1.034 2.357) 7.851 4.725 ( 7.418 1.034 2.357) 7.851 4.944 ( 4.704 -3.179 8.741) 10.423 4.944 ( 4.704 3.179 8.741) 10.423 5.127 ( 2.052 -1.038 -4.421) 4.983 5.127 ( 2.052 1.038 -4.421) 4.983 5.256 ( 2.478 -1.033 -4.166) 4.956 5.256 ( 2.478 1.033 -4.166) 4.956 5.568 ( 3.221 -4.582 3.056) 6.381 5.568 ( 3.221 4.582 3.056) 6.381 5.815 ( -1.569 -3.472 -3.957) 5.493 5.815 ( -1.569 3.472 -3.957) 5.493 5.898 ( 3.433 -2.211 4.089) 5.779 5.898 ( 3.433 2.211 4.089) 5.779 6.056 ( 3.687 -2.612 -1.229) 4.683 6.056 ( 3.687 2.612 -1.229) 4.683 6.149 ( 7.218 -4.841 1.448) 8.811 6.149 ( 7.218 4.841 1.448) 8.811 6.277 ( 6.179 -6.080 -4.933) 9.974 6.277 ( 6.179 6.080 -4.933) 9.974 6.456 ( 7.241 -5.748 6.031) 11.038 6.456 ( 7.241 5.748 6.031) 11.038 6.618 ( 5.153 -0.695 -0.323) 5.210 6.618 ( 5.153 0.695 -0.323) 5.210 6.838 ( -0.862 -5.560 -1.053) 5.724 6.838 ( -0.862 5.560 -1.053) 5.724 6.917 ( 1.514 -0.288 3.735) 4.041 6.917 ( 1.514 0.288 3.735) 4.041 7.097 ( 0.544 -5.537 -5.474) 7.805 7.097 ( 0.544 5.537 -5.474) 7.805 7.190 ( -1.255 -0.427 5.911) 6.058 7.190 ( -1.255 0.427 5.911) 6.058 7.407 ( -1.395 -2.508 -0.711) 2.957 7.407 ( -1.395 2.508 -0.711) 2.957 7.603 ( 4.818 -5.277 -1.249) 7.254 7.603 ( 4.818 5.277 -1.249) 7.254 7.719 ( 2.043 -3.909 0.840) 4.490 7.719 ( 2.043 3.909 0.840) 4.490 7.833 ( 5.564 -3.779 -2.647) 7.228 7.833 ( 5.564 3.779 -2.647) 7.228 7.964 ( -0.693 -3.487 -3.042) 4.679 7.964 ( -0.693 3.487 -3.042) 4.679 8.096 ( 0.783 -4.485 1.638) 4.839 8.096 ( 0.783 4.485 1.638) 4.839 8.181 ( 2.418 -3.892 5.360) 7.052 8.181 ( 2.418 3.892 5.360) 7.052 8.374 ( -0.594 -2.869 0.572) 2.985 8.374 ( -0.594 2.869 0.572) 2.985 8.514 ( 2.176 -6.669 -5.685) 9.030 8.514 ( 2.176 6.669 -5.685) 9.030 8.631 ( -1.083 -5.515 6.853) 8.863 8.631 ( -1.083 5.515 6.853) 8.863 8.780 ( -2.360 -3.827 2.202) 5.007 8.780 ( -2.360 3.827 2.202) 5.007 8.916 ( 1.851 -4.336 0.675) 4.763 8.916 ( 1.851 4.336 0.675) 4.763 9.055 ( -0.354 -0.244 -0.308) 0.529 9.055 ( -0.354 0.244 -0.308) 0.529 9.235 ( -2.306 -1.288 0.441) 2.678 9.235 ( -2.306 1.288 0.441) 2.678 9.330 ( -1.014 -1.989 -1.743) 2.833 9.330 ( -1.014 1.989 -1.743) 2.833 9.598 ( -3.974 -3.631 -0.074) 5.384 9.598 ( -3.974 3.631 -0.074) 5.384 9.645 ( -0.835 -2.751 0.757) 2.973 9.645 ( -0.835 2.751 0.757) 2.973 9.850 ( -1.276 -3.719 -2.340) 4.575 9.850 ( -1.276 3.719 -2.340) 4.575 10.034 ( -2.108 -3.110 2.643) 4.594 10.034 ( -2.108 3.110 2.643) 4.594 10.234 ( -4.075 -5.201 -2.246) 6.979 10.234 ( -4.075 5.201 -2.246) 6.979 10.415 ( -1.384 -4.676 -1.198) 5.021 10.415 ( -1.384 4.676 -1.198) 5.021 10.829 ( -6.315 -5.939 -0.322) 8.675 10.829 ( -6.315 5.939 -0.322) 8.675 10.879 ( -5.617 -4.545 3.646) 8.093 10.879 ( -5.617 4.545 3.646) 8.093 11.290 ( -8.707 -2.870 -5.268) 10.573 11.290 ( -8.707 2.870 -5.268) 10.573 11.528 ( -2.910 -9.800 0.692) 10.247 11.528 ( -2.910 9.800 0.692) 10.247 11.691 ( -6.759 -6.578 -2.370) 9.724 11.691 ( -6.759 6.578 -2.370) 9.724 12.278 ( -5.457 -1.161 1.940) 5.907 12.278 ( -5.457 1.161 1.940) 5.907 12.372 ( 2.499 -4.486 -0.931) 5.219 12.372 ( 2.499 4.486 -0.931) 5.219 12.868 ( 9.617 -8.546 -2.346) 13.077 12.868 ( 9.617 8.546 -2.346) 13.077 14.261 ( -6.111 -5.311 -1.637) 8.260 14.261 ( -6.111 5.311 -1.637) 8.260 14.376 ( -2.890 -3.638 5.815) 7.443 14.376 ( -2.890 3.638 5.815) 7.443 14.803 ( -1.682 -3.860 -1.075) 4.345 14.803 ( -1.682 3.860 -1.075) 4.345 14.898 ( -0.939 -1.518 -1.211) 2.157 14.898 ( -0.939 1.518 -1.211) 2.157 16.297 ( -1.416 -3.503 7.232) 8.159 16.297 ( -1.416 3.503 7.232) 8.159 16.377 ( 6.424 -4.594 -2.428) 8.262 16.377 ( 6.424 4.594 -2.428) 8.262 16.931 ( 0.963 -1.452 0.856) 1.942 16.931 ( 0.963 1.452 0.856) 1.942 17.326 ( -2.488 -4.351 -3.434) 6.076 17.326 ( -2.488 4.351 -3.434) 6.076 17.423 ( 0.559 -3.443 -1.894) 3.969 17.423 ( 0.559 3.443 -1.894) 3.969 17.601 ( -0.698 -6.977 -1.297) 7.131 17.601 ( -0.698 6.977 -1.297) 7.131 17.679 ( 0.312 -5.544 2.602) 6.132 17.679 ( 0.312 5.544 2.602) 6.132 17.812 ( -1.489 -2.206 1.682) 3.149 17.812 ( -1.489 2.206 1.682) 3.149 17.903 ( -1.121 -1.048 0.837) 1.748 17.903 ( -1.121 1.048 0.837) 1.748 17.978 ( -0.217 -2.916 0.515) 2.970 17.978 ( -0.217 2.916 0.515) 2.970 18.329 ( -1.114 -2.674 -1.821) 3.421 18.329 ( -1.114 2.674 -1.821) 3.421 18.374 ( -1.197 -1.797 -1.020) 2.388 18.374 ( -1.197 1.797 -1.020) 2.388 18.739 ( -1.578 -2.134 0.469) 2.695 18.739 ( -1.578 2.134 0.469) 2.695 18.888 ( -1.209 -1.809 -1.117) 2.446 18.888 ( -1.209 1.809 -1.117) 2.446 20.159 ( 11.112 -0.403 -0.452) 11.129 20.159 ( 11.112 0.403 -0.452) 11.129 20.201 ( 11.406 -0.428 -0.633) 11.432 20.201 ( 11.406 0.428 -0.633) 11.432 20.257 ( 17.049 -1.677 2.783) 17.356 20.257 ( 17.049 1.677 2.783) 17.356 22.104 ( -3.486 -0.219 -0.596) 3.543 22.104 ( -3.486 0.219 -0.596) 3.543 22.128 ( -2.492 -0.857 0.104) 2.637 22.128 ( -2.492 0.857 0.104) 2.637 22.223 ( -0.630 -0.630 0.432) 0.990 22.223 ( -0.630 0.630 0.432) 0.990 27.047 ( 0.209 -0.527 -0.429) 0.712 27.047 ( 0.209 0.527 -0.429) 0.712 27.105 ( -0.159 -0.259 0.236) 0.385 27.105 ( -0.159 0.259 0.236) 0.385 27.645 ( -0.818 -0.662 -1.303) 1.675 27.645 ( -0.818 0.662 -1.303) 1.675 27.663 ( -1.169 -0.517 1.287) 1.814 27.663 ( -1.169 0.517 1.287) 1.814 27.772 ( 0.321 -0.493 -0.251) 0.640 27.772 ( 0.321 0.493 -0.251) 0.640 28.037 ( -1.646 -0.018 -0.363) 1.686 28.037 ( -1.646 0.018 -0.363) 1.686 36.628 ( 1.382 -0.737 0.098) 1.569 36.628 ( 1.382 0.737 0.098) 1.569 37.100 ( 1.481 -1.090 -0.422) 1.887 37.100 ( 1.481 1.090 -0.422) 1.887 37.236 ( 2.267 -1.994 -3.644) 4.732 37.236 ( 2.267 1.994 -3.644) 4.732 37.340 ( 3.819 -1.130 3.084) 5.037 37.340 ( 3.819 1.130 3.084) 5.037 37.634 ( 0.287 -0.578 -7.627) 7.655 37.634 ( 0.287 0.578 -7.627) 7.655 38.105 ( 0.713 -2.453 -1.190) 2.818 38.105 ( 0.713 2.453 -1.190) 2.818 38.247 ( 0.733 -2.754 9.223) 9.654 38.247 ( 0.733 2.754 9.223) 9.654 38.398 ( -0.335 -1.961 -3.341) 3.888 38.398 ( -0.335 1.961 -3.341) 3.888 38.660 ( -1.082 -10.683 4.406) 11.607 38.660 ( -1.082 10.683 4.406) 11.607 40.291 ( -18.487 -7.220 -2.949) 20.064 40.291 ( -18.487 7.220 -2.949) 20.064 40.392 ( -12.258 -2.428 0.757) 12.519 40.392 ( -12.258 2.428 0.757) 12.519 40.900 ( -16.871 -2.937 -0.693) 17.139 40.900 ( -16.871 2.937 -0.693) 17.139 ======================= Grid point 185 (93/96) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 10.728 -6.387 -19.196) 22.899 1.533 ( 10.728 6.387 -19.196) 22.899 1.798 ( 9.705 -5.910 -9.921) 15.085 1.798 ( 9.705 5.910 -9.921) 15.085 2.297 ( 3.142 -4.678 4.318) 7.099 2.297 ( 3.142 4.678 4.318) 7.099 2.479 ( 3.125 -13.950 10.670) 17.839 2.479 ( 3.125 13.950 10.670) 17.839 2.561 ( 7.838 -1.604 4.447) 9.154 2.561 ( 7.838 1.604 4.447) 9.154 2.983 ( -2.712 -2.794 -0.440) 3.919 2.983 ( -2.712 2.794 -0.440) 3.919 3.154 ( -2.494 -1.347 -7.645) 8.153 3.154 ( -2.494 1.347 -7.645) 8.153 3.404 ( -3.280 -6.839 -2.083) 7.866 3.404 ( -3.280 6.839 -2.083) 7.866 3.503 ( 2.144 -9.050 -4.308) 10.250 3.503 ( 2.144 9.050 -4.308) 10.250 3.742 ( -5.594 -5.033 -1.612) 7.696 3.742 ( -5.594 5.033 -1.612) 7.696 4.002 ( -4.981 -4.610 4.445) 8.113 4.002 ( -4.981 4.610 4.445) 8.113 4.164 ( 0.597 -6.148 -3.752) 7.227 4.164 ( 0.597 6.148 -3.752) 7.227 4.341 ( 2.656 -2.147 4.800) 5.891 4.341 ( 2.656 2.147 4.800) 5.891 4.473 ( 8.816 -1.627 4.483) 10.023 4.473 ( 8.816 1.627 4.483) 10.023 4.604 ( 7.335 -8.456 -2.394) 11.448 4.604 ( 7.335 8.456 -2.394) 11.448 4.860 ( 8.291 -4.758 -1.808) 9.728 4.860 ( 8.291 4.758 -1.808) 9.728 5.091 ( 0.162 -4.880 6.067) 7.788 5.091 ( 0.162 4.880 6.067) 7.788 5.159 ( 7.952 -1.679 1.461) 8.257 5.159 ( 7.952 1.679 1.461) 8.257 5.321 ( 7.315 -3.738 -2.450) 8.573 5.321 ( 7.315 3.738 -2.450) 8.573 5.648 ( 1.740 -6.146 2.641) 6.912 5.648 ( 1.740 6.146 2.641) 6.912 5.771 ( 2.666 -4.164 -5.628) 7.492 5.771 ( 2.666 4.164 -5.628) 7.492 6.016 ( 5.059 -3.063 1.768) 6.172 6.016 ( 5.059 3.063 1.768) 6.172 6.094 ( 2.076 -1.400 2.176) 3.317 6.094 ( 2.076 1.400 2.176) 3.317 6.293 ( 7.418 -4.360 -2.385) 8.929 6.293 ( 7.418 4.360 -2.385) 8.929 6.440 ( 12.283 -5.994 1.298) 13.729 6.440 ( 12.283 5.994 1.298) 13.729 6.621 ( 7.233 -4.550 3.620) 9.280 6.621 ( 7.233 4.550 3.620) 9.280 6.730 ( 5.073 -3.860 0.057) 6.375 6.730 ( 5.073 3.860 0.057) 6.375 6.824 ( 4.547 -6.697 -3.837) 8.958 6.824 ( 4.547 6.697 -3.837) 8.958 6.944 ( -2.514 -5.875 3.550) 7.310 6.944 ( -2.514 5.875 3.550) 7.310 7.108 ( 5.291 -7.182 -5.451) 10.454 7.108 ( 5.291 7.182 -5.451) 10.454 7.240 ( 2.389 -2.073 7.932) 8.539 7.240 ( 2.389 2.073 7.932) 8.539 7.432 ( 4.467 -5.649 -0.745) 7.240 7.432 ( 4.467 5.649 -0.745) 7.240 7.640 ( 1.511 -2.278 -0.662) 2.813 7.640 ( 1.511 2.278 -0.662) 2.813 7.756 ( 2.032 -3.898 -4.345) 6.181 7.756 ( 2.032 3.898 -4.345) 6.181 7.901 ( 4.291 -3.222 -1.550) 5.585 7.901 ( 4.291 3.222 -1.550) 5.585 7.982 ( 2.838 -3.100 -0.304) 4.214 7.982 ( 2.838 3.100 -0.304) 4.214 8.130 ( 1.095 -4.961 2.337) 5.592 8.130 ( 1.095 4.961 2.337) 5.592 8.278 ( 5.690 -4.773 3.842) 8.362 8.278 ( 5.690 4.773 3.842) 8.362 8.413 ( 2.428 -2.648 3.564) 5.061 8.413 ( 2.428 2.648 3.564) 5.061 8.473 ( -1.330 -6.988 -4.290) 8.307 8.473 ( -1.330 6.988 -4.290) 8.307 8.663 ( -0.150 -2.253 1.473) 2.696 8.663 ( -0.150 2.253 1.473) 2.696 8.786 ( -1.465 -1.836 8.486) 8.805 8.786 ( -1.465 1.836 8.486) 8.805 8.928 ( 0.081 -7.773 -0.220) 7.777 8.928 ( 0.081 7.773 -0.220) 7.777 9.032 ( -2.146 -1.693 -0.799) 2.848 9.032 ( -2.146 1.693 -0.799) 2.848 9.200 ( -1.982 -2.659 1.596) 3.680 9.200 ( -1.982 2.659 1.596) 3.680 9.289 ( -2.034 -1.062 -1.853) 2.949 9.289 ( -2.034 1.062 -1.853) 2.949 9.507 ( -5.969 -2.491 -0.287) 6.474 9.507 ( -5.969 2.491 -0.287) 6.474 9.646 ( -0.489 -2.149 3.732) 4.335 9.646 ( -0.489 2.149 3.732) 4.335 9.799 ( -1.973 -5.478 -4.065) 7.101 9.799 ( -1.973 5.478 -4.065) 7.101 9.976 ( -6.361 -3.886 1.687) 7.642 9.976 ( -6.361 3.886 1.687) 7.642 10.109 ( -7.549 -6.115 -2.873) 10.131 10.109 ( -7.549 6.115 -2.873) 10.131 10.364 ( -3.886 -5.087 -1.256) 6.524 10.364 ( -3.886 5.087 -1.256) 6.524 10.687 ( -8.374 -2.082 -2.669) 9.032 10.687 ( -8.374 2.082 -2.669) 9.032 10.776 ( -9.465 -6.387 5.974) 12.887 10.776 ( -9.465 6.387 5.974) 12.887 11.050 ( -13.987 -3.944 -3.584) 14.967 11.050 ( -13.987 3.944 -3.584) 14.967 11.436 ( -6.509 -15.925 -9.694) 19.747 11.436 ( -6.509 15.925 -9.694) 19.747 11.537 ( -6.327 -10.899 4.025) 13.230 11.537 ( -6.327 10.899 4.025) 13.230 12.175 ( -4.467 -6.843 -2.521) 8.551 12.175 ( -4.467 6.843 -2.521) 8.551 12.492 ( 6.607 -2.444 4.398) 8.305 12.492 ( 6.607 2.444 4.398) 8.305 12.980 ( 5.457 -9.425 -3.579) 11.464 12.980 ( 5.457 9.425 -3.579) 11.464 14.143 ( -5.529 -5.074 -0.579) 7.527 14.143 ( -5.529 5.074 -0.579) 7.527 14.347 ( -5.234 -3.175 5.959) 8.543 14.347 ( -5.234 3.175 5.959) 8.543 14.761 ( -1.717 -4.553 -1.409) 5.066 14.761 ( -1.717 4.553 -1.409) 5.066 14.857 ( -2.004 -1.613 -2.824) 3.820 14.857 ( -2.004 1.613 -2.824) 3.820 16.351 ( 0.423 -2.263 9.007) 9.296 16.351 ( 0.423 2.263 9.007) 9.296 16.481 ( 6.541 -3.606 -1.388) 7.598 16.481 ( 6.541 3.606 -1.388) 7.598 16.961 ( 1.416 -2.507 1.435) 3.217 16.961 ( 1.416 2.507 1.435) 3.217 17.246 ( -2.169 -3.769 -6.217) 7.587 17.246 ( -2.169 3.769 -6.217) 7.587 17.414 ( 0.770 -3.446 -2.987) 4.624 17.414 ( 0.770 3.446 -2.987) 4.624 17.592 ( -0.684 -3.543 1.364) 3.857 17.592 ( -0.684 3.543 1.364) 3.857 17.690 ( -0.309 -3.006 0.662) 3.093 17.690 ( -0.309 3.006 0.662) 3.093 17.798 ( -1.972 -3.010 2.897) 4.620 17.798 ( -1.972 3.010 2.897) 4.620 17.890 ( -1.202 -2.394 1.521) 3.081 17.890 ( -1.202 2.394 1.521) 3.081 17.981 ( -0.156 -3.582 1.571) 3.914 17.981 ( -0.156 3.582 1.571) 3.914 18.291 ( -0.928 -2.887 -3.551) 4.670 18.291 ( -0.928 2.887 -3.551) 4.670 18.330 ( -2.364 -1.770 -2.001) 3.567 18.330 ( -2.364 1.770 -2.001) 3.567 18.717 ( -0.990 -2.497 0.071) 2.687 18.717 ( -0.990 2.497 0.071) 2.687 18.853 ( -1.413 -2.263 -1.683) 3.154 18.853 ( -1.413 2.263 -1.683) 3.154 20.407 ( 17.037 -0.699 -0.399) 17.056 20.407 ( 17.037 0.699 -0.399) 17.056 20.447 ( 17.601 -1.249 -2.734) 17.856 20.447 ( 17.601 1.249 -2.734) 17.856 20.694 ( 25.134 -7.187 9.100) 27.680 20.694 ( 25.134 7.187 9.100) 27.680 22.011 ( -6.638 -0.283 -0.668) 6.678 22.011 ( -6.638 0.283 -0.668) 6.678 22.057 ( -5.762 -1.515 0.083) 5.958 22.057 ( -5.762 1.515 0.083) 5.958 22.207 ( -1.644 -1.561 0.456) 2.313 22.207 ( -1.644 1.561 0.456) 2.313 27.049 ( 0.412 -0.613 -0.547) 0.919 27.049 ( 0.412 0.613 -0.547) 0.919 27.102 ( -0.364 -0.236 0.223) 0.488 27.102 ( -0.364 0.236 0.223) 0.488 27.620 ( -0.985 -0.820 -0.896) 1.564 27.620 ( -0.985 0.820 -0.896) 1.564 27.645 ( -1.660 -0.445 0.833) 1.910 27.645 ( -1.660 0.445 0.833) 1.910 27.779 ( 0.720 -0.660 -0.144) 0.987 27.779 ( 0.720 0.660 -0.144) 0.987 27.995 ( -2.509 -0.013 -0.661) 2.594 27.995 ( -2.509 0.013 -0.661) 2.594 36.666 ( 2.666 -1.304 0.669) 3.042 36.666 ( 2.666 1.304 0.669) 3.042 37.131 ( 2.250 -2.627 -0.423) 3.484 37.131 ( 2.250 2.627 -0.423) 3.484 37.261 ( 3.758 -1.165 -4.351) 5.866 37.261 ( 3.758 1.165 -4.351) 5.866 37.410 ( 1.743 -2.991 -3.297) 4.780 37.410 ( 1.743 2.991 -3.297) 4.780 37.622 ( 6.425 -1.445 -4.419) 7.931 37.622 ( 6.425 1.445 -4.419) 7.931 38.147 ( 2.440 -1.090 3.818) 4.660 38.147 ( 2.440 1.090 3.818) 4.660 38.254 ( -1.642 -4.004 -3.249) 5.411 38.254 ( -1.642 4.004 -3.249) 5.411 38.440 ( 3.068 -3.504 7.505) 8.832 38.440 ( 3.068 3.504 7.505) 8.832 38.665 ( -2.097 -14.189 4.295) 14.972 38.665 ( -2.097 14.189 4.295) 14.972 39.813 ( -30.411 -7.556 -6.747) 32.053 39.813 ( -30.411 7.556 -6.747) 32.053 40.101 ( -20.052 -1.675 -0.249) 20.123 40.101 ( -20.052 1.675 -0.249) 20.123 40.512 ( -24.248 -5.256 -2.743) 24.962 40.512 ( -24.248 5.256 -2.743) 24.962 ======================= Grid point 187 (94/96) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 12.646 -3.153 -10.596) 16.797 1.639 ( 12.646 3.153 -10.596) 16.797 1.882 ( 8.698 -4.553 -7.149) 12.144 1.882 ( 8.698 4.553 -7.149) 12.144 2.395 ( 2.642 -0.474 1.177) 2.931 2.395 ( 2.642 0.474 1.177) 2.931 2.538 ( -4.314 -3.432 0.358) 5.525 2.538 ( -4.314 3.432 0.358) 5.525 2.618 ( 0.374 -8.820 2.470) 9.166 2.618 ( 0.374 8.820 2.470) 9.166 2.986 ( 4.090 -0.865 -3.550) 5.485 2.986 ( 4.090 0.865 -3.550) 5.485 3.111 ( 1.633 -4.084 0.289) 4.408 3.111 ( 1.633 4.084 0.289) 4.408 3.286 ( -6.810 -8.046 -5.027) 11.678 3.286 ( -6.810 8.046 -5.027) 11.678 3.509 ( -0.983 -2.102 0.257) 2.335 3.509 ( -0.983 2.102 0.257) 2.335 3.720 ( 4.289 -1.145 2.410) 5.051 3.720 ( 4.289 1.145 2.410) 5.051 3.987 ( -0.481 -6.556 3.223) 7.322 3.987 ( -0.481 6.556 3.223) 7.322 4.129 ( -2.903 -6.845 0.606) 7.460 4.129 ( -2.903 6.845 0.606) 7.460 4.375 ( 0.469 -3.346 -1.980) 3.917 4.375 ( 0.469 3.346 -1.980) 3.917 4.646 ( 3.168 -5.151 1.564) 6.246 4.646 ( 3.168 5.151 1.564) 6.246 4.729 ( 9.515 -2.595 3.620) 10.506 4.729 ( 9.515 2.595 3.620) 10.506 4.998 ( 8.033 -4.183 -1.451) 9.173 4.998 ( 8.033 4.183 -1.451) 9.173 5.113 ( 4.039 -4.159 -2.938) 6.499 5.113 ( 4.039 4.159 -2.938) 6.499 5.339 ( 4.278 -1.406 10.095) 11.054 5.339 ( 4.278 1.406 10.095) 11.054 5.461 ( 10.152 -8.513 -1.489) 13.332 5.461 ( 10.152 8.513 -1.489) 13.332 5.621 ( -2.237 -4.392 -3.350) 5.959 5.621 ( -2.237 4.392 -3.350) 5.959 5.846 ( 5.983 -4.213 -1.391) 7.448 5.846 ( 5.983 4.213 -1.391) 7.448 6.059 ( 1.782 -1.914 -1.969) 3.273 6.059 ( 1.782 1.914 -1.969) 3.273 6.200 ( 3.988 -1.394 7.950) 9.003 6.200 ( 3.988 1.394 7.950) 9.003 6.338 ( 0.807 -4.352 -4.255) 6.140 6.338 ( 0.807 4.352 -4.255) 6.140 6.626 ( 5.077 -6.981 0.825) 8.672 6.626 ( 5.077 6.981 0.825) 8.672 6.722 ( -1.462 -8.610 3.372) 9.362 6.722 ( -1.462 8.610 3.372) 9.362 6.816 ( 9.393 -6.447 1.275) 11.463 6.816 ( 9.393 6.447 1.275) 11.463 6.910 ( 2.518 -3.730 -1.399) 4.713 6.910 ( 2.518 3.730 -1.399) 4.713 7.008 ( 13.291 -8.109 -2.159) 15.718 7.008 ( 13.291 8.109 -2.159) 15.718 7.157 ( 4.360 -7.651 -1.812) 8.990 7.157 ( 4.360 7.651 -1.812) 8.990 7.395 ( 7.409 -7.177 0.470) 10.326 7.395 ( 7.409 7.177 0.470) 10.326 7.518 ( 6.541 -3.459 -1.610) 7.573 7.518 ( 6.541 3.459 -1.610) 7.573 7.645 ( 1.204 -1.995 -1.195) 2.618 7.645 ( 1.204 1.995 -1.195) 2.618 7.789 ( 3.304 -4.883 -0.889) 5.963 7.789 ( 3.304 4.883 -0.889) 5.963 7.924 ( -0.057 -0.720 0.310) 0.786 7.924 ( -0.057 0.720 0.310) 0.786 8.047 ( 4.405 -2.735 0.845) 5.254 8.047 ( 4.405 2.735 0.845) 5.254 8.177 ( 3.234 -6.351 1.408) 7.264 8.177 ( 3.234 6.351 1.408) 7.264 8.373 ( -1.595 -3.009 1.416) 3.688 8.373 ( -1.595 3.009 1.416) 3.688 8.450 ( 4.294 -3.461 -1.070) 5.618 8.450 ( 4.294 3.461 -1.070) 5.618 8.464 ( -0.758 -3.380 0.895) 3.577 8.464 ( -0.758 3.380 0.895) 3.577 8.650 ( -1.083 -2.534 -0.274) 2.769 8.650 ( -1.083 2.534 -0.274) 2.769 8.811 ( -1.679 -5.535 6.656) 8.818 8.811 ( -1.679 5.535 6.656) 8.818 8.943 ( -0.619 -4.765 -0.191) 4.809 8.943 ( -0.619 4.765 -0.191) 4.809 9.015 ( 2.364 -5.999 0.491) 6.467 9.015 ( 2.364 5.999 0.491) 6.467 9.185 ( -1.508 -2.078 2.882) 3.860 9.185 ( -1.508 2.078 2.882) 3.860 9.241 ( -2.609 -2.537 1.366) 3.887 9.241 ( -2.609 2.537 1.366) 3.887 9.404 ( -4.877 -1.276 0.775) 5.100 9.404 ( -4.877 1.276 0.775) 5.100 9.637 ( -6.555 -4.450 2.073) 8.189 9.637 ( -6.555 4.450 2.073) 8.189 9.728 ( -0.970 -3.831 -4.509) 5.996 9.728 ( -0.970 3.831 -4.509) 5.996 9.892 ( -4.008 -3.003 3.380) 6.043 9.892 ( -4.008 3.003 3.380) 6.043 9.941 ( -7.689 -4.776 -2.387) 9.361 9.941 ( -7.689 4.776 -2.387) 9.361 10.232 ( -10.609 -1.876 -1.051) 10.825 10.232 ( -10.609 1.876 -1.051) 10.825 10.510 ( -8.998 -4.752 -3.501) 10.761 10.510 ( -8.998 4.752 -3.501) 10.761 10.627 ( -10.109 -7.591 -2.016) 12.802 10.627 ( -10.109 7.591 -2.016) 12.802 10.833 ( -8.359 -3.159 4.752) 10.121 10.833 ( -8.359 3.159 4.752) 10.121 11.221 ( -7.439 -10.574 -9.820) 16.236 11.221 ( -7.439 10.574 -9.820) 16.236 11.521 ( -1.101 -6.120 4.994) 7.976 11.521 ( -1.101 6.120 4.994) 7.976 12.056 ( -6.609 -8.161 -4.723) 11.515 12.056 ( -6.609 8.161 -4.723) 11.515 12.646 ( 6.864 -2.307 5.162) 8.893 12.646 ( 6.864 2.307 5.162) 8.893 13.017 ( 1.712 -8.195 -2.233) 8.665 13.017 ( 1.712 8.195 -2.233) 8.665 14.074 ( -1.361 -3.659 -1.806) 4.301 14.074 ( -1.361 3.659 -1.806) 4.301 14.288 ( -5.831 -2.978 4.809) 8.124 14.288 ( -5.831 2.978 4.809) 8.124 14.730 ( -0.974 -3.247 -0.365) 3.410 14.730 ( -0.974 3.247 -0.365) 3.410 14.793 ( -2.144 -1.707 -3.737) 4.634 14.793 ( -2.144 1.707 -3.737) 4.634 16.435 ( 0.916 -1.233 9.988) 10.105 16.435 ( 0.916 1.233 9.988) 10.105 16.570 ( 5.027 -2.016 -2.723) 6.062 16.570 ( 5.027 2.016 -2.723) 6.062 16.997 ( 1.256 -2.622 1.663) 3.349 16.997 ( 1.256 2.622 1.663) 3.349 17.172 ( -0.638 -2.549 -6.456) 6.970 17.172 ( -0.638 2.549 -6.456) 6.970 17.414 ( 1.476 -2.194 -2.250) 3.472 17.414 ( 1.476 2.194 -2.250) 3.472 17.581 ( -2.082 -0.879 1.364) 2.640 17.581 ( -2.082 0.879 1.364) 2.640 17.688 ( -0.017 -3.542 0.054) 3.542 17.688 ( -0.017 3.542 0.054) 3.542 17.787 ( -1.978 -2.228 3.495) 4.592 17.787 ( -1.978 2.228 3.495) 4.592 17.889 ( 0.269 -3.553 1.034) 3.710 17.889 ( 0.269 3.553 1.034) 3.710 18.000 ( 0.213 -2.623 3.266) 4.195 18.000 ( 0.213 2.623 3.266) 4.195 18.241 ( -1.027 -2.516 -5.763) 6.372 18.241 ( -1.027 2.516 -5.763) 6.372 18.270 ( -2.643 -3.370 -1.554) 4.556 18.270 ( -2.643 3.370 -1.554) 4.556 18.707 ( -0.093 -1.802 -0.183) 1.813 18.707 ( -0.093 1.802 -0.183) 1.813 18.819 ( -0.939 -1.961 -1.523) 2.655 18.819 ( -0.939 1.961 -1.523) 2.655 20.732 ( 19.805 -1.376 -0.264) 19.854 20.732 ( 19.805 1.376 -0.264) 19.854 20.755 ( 19.541 -1.101 -3.023) 19.804 20.755 ( 19.541 1.101 -3.023) 19.804 21.192 ( 21.523 -10.890 10.724) 26.398 21.192 ( 21.523 10.890 10.724) 26.398 21.861 ( -10.045 -0.434 -0.430) 10.064 21.861 ( -10.045 0.434 -0.430) 10.064 21.928 ( -9.064 -2.115 0.511) 9.321 21.928 ( -9.064 2.115 0.511) 9.321 22.167 ( -3.198 -3.113 -0.214) 4.469 22.167 ( -3.198 3.113 -0.214) 4.469 27.054 ( 0.523 -0.363 -0.366) 0.734 27.054 ( 0.523 0.363 -0.366) 0.734 27.096 ( -0.418 -0.108 0.096) 0.442 27.096 ( -0.418 0.108 0.096) 0.442 27.602 ( -0.568 -0.708 -0.285) 0.951 27.602 ( -0.568 0.708 -0.285) 0.951 27.622 ( -1.364 -0.285 0.360) 1.439 27.622 ( -1.364 0.285 0.360) 1.439 27.795 ( 1.064 -0.476 0.110) 1.171 27.795 ( 1.064 0.476 0.110) 1.171 27.945 ( -2.558 -0.114 -0.776) 2.675 27.945 ( -2.558 0.114 -0.776) 2.675 36.732 ( 3.836 -1.443 2.161) 4.634 36.732 ( 3.836 1.443 2.161) 4.634 37.155 ( 0.545 -3.813 -1.490) 4.130 37.155 ( 0.545 3.813 -1.490) 4.130 37.288 ( 2.917 -0.359 -5.483) 6.221 37.288 ( 2.917 0.359 -5.483) 6.221 37.363 ( -0.191 -4.511 -7.385) 8.656 37.363 ( -0.191 4.511 -7.385) 8.656 37.794 ( 12.621 -1.313 0.409) 12.696 37.794 ( 12.621 1.313 0.409) 12.696 38.193 ( 2.684 -3.706 -4.734) 6.584 38.193 ( 2.684 3.706 -4.734) 6.584 38.248 ( 0.168 -4.895 8.174) 9.529 38.248 ( 0.168 4.895 8.174) 9.529 38.569 ( 5.136 -4.275 5.008) 8.351 38.569 ( 5.136 4.275 5.008) 8.351 38.656 ( -1.039 -10.599 3.245) 11.133 38.656 ( -1.039 10.599 3.245) 11.133 39.226 ( -26.149 -14.315 -10.021) 31.450 39.226 ( -26.149 14.315 -10.021) 31.450 39.719 ( -23.677 -3.689 1.851) 24.034 39.719 ( -23.677 3.689 1.851) 24.034 40.049 ( -25.058 -4.568 -4.193) 25.814 40.049 ( -25.058 4.568 -4.193) 25.814 ======================= Grid point 189 (95/96) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 9.424 -5.165 -3.516) 11.307 1.780 ( 9.424 5.165 -3.516) 11.307 2.008 ( 7.588 -1.738 -4.933) 9.216 2.008 ( 7.588 1.738 -4.933) 9.216 2.290 ( -6.846 -3.667 0.506) 7.782 2.290 ( -6.846 3.667 0.506) 7.782 2.520 ( -0.521 -2.826 -4.848) 5.636 2.520 ( -0.521 2.826 -4.848) 5.636 2.625 ( -0.499 -6.130 1.101) 6.248 2.625 ( -0.499 6.130 1.101) 6.249 3.013 ( -0.484 -4.028 -1.196) 4.230 3.013 ( -0.484 4.028 -1.196) 4.230 3.086 ( 0.376 -1.365 -6.330) 6.486 3.086 ( 0.376 1.365 -6.330) 6.486 3.212 ( -2.910 -6.906 4.336) 8.658 3.212 ( -2.910 6.906 4.336) 8.658 3.547 ( 3.932 -3.147 5.615) 7.543 3.547 ( 3.932 3.147 5.615) 7.543 3.843 ( 5.831 -1.816 0.924) 6.177 3.843 ( 5.831 1.816 0.924) 6.177 3.982 ( -2.450 -4.724 -1.528) 5.537 3.982 ( -2.450 4.724 -1.528) 5.537 4.097 ( -1.568 -2.423 3.839) 4.803 4.097 ( -1.568 2.423 3.839) 4.803 4.370 ( 2.356 -6.679 -1.736) 7.293 4.370 ( 2.356 6.679 -1.736) 7.293 4.613 ( -4.587 -3.458 -3.850) 6.915 4.613 ( -4.587 3.458 -3.850) 6.915 4.938 ( 8.214 -3.077 5.804) 10.518 4.938 ( 8.214 3.077 5.804) 10.518 5.103 ( 5.135 -3.148 -0.017) 6.023 5.103 ( 5.135 3.148 -0.017) 6.023 5.186 ( 4.408 -5.680 -2.103) 7.491 5.186 ( 4.408 5.680 -2.103) 7.491 5.387 ( -4.818 -3.110 2.451) 6.236 5.387 ( -4.818 3.110 2.451) 6.236 5.592 ( 6.392 -0.576 -0.722) 6.458 5.592 ( 6.392 0.576 -0.722) 6.458 5.658 ( 8.254 -5.376 -0.999) 9.900 5.658 ( 8.254 5.376 -0.999) 9.900 5.931 ( 3.161 -4.398 2.187) 5.841 5.931 ( 3.161 4.398 2.187) 5.841 6.050 ( -1.263 -2.902 -1.702) 3.593 6.050 ( -1.263 2.902 -1.702) 3.593 6.239 ( -3.924 -2.754 -0.338) 4.806 6.239 ( -3.924 2.754 -0.338) 4.806 6.361 ( 3.457 -5.167 2.081) 6.556 6.361 ( 3.457 5.167 2.081) 6.556 6.648 ( 0.722 -5.599 -1.110) 5.754 6.648 ( 0.722 5.599 -1.110) 5.754 6.700 ( -3.544 -4.749 3.531) 6.898 6.700 ( -3.544 4.749 3.531) 6.898 6.907 ( 0.562 -3.266 2.375) 4.077 6.907 ( 0.562 3.266 2.375) 4.077 7.025 ( 9.297 -5.625 -2.305) 11.108 7.025 ( 9.297 5.625 -2.305) 11.108 7.223 ( 2.619 -4.597 -0.377) 5.305 7.223 ( 2.619 4.597 -0.377) 5.305 7.265 ( 13.666 -5.317 0.281) 14.667 7.265 ( 13.666 5.317 0.281) 14.667 7.415 ( 2.746 -7.025 -7.700) 10.779 7.415 ( 2.746 7.025 -7.700) 10.779 7.615 ( 2.195 -3.922 -1.411) 4.710 7.615 ( 2.195 3.922 -1.411) 4.710 7.730 ( 8.061 -4.392 -1.765) 9.348 7.730 ( 8.061 4.392 -1.765) 9.348 7.794 ( 1.264 -3.138 -2.156) 4.011 7.794 ( 1.264 3.138 -2.156) 4.011 7.973 ( 1.861 -1.371 3.884) 4.520 7.973 ( 1.861 1.371 3.884) 4.520 8.094 ( -4.121 -3.638 5.158) 7.538 8.094 ( -4.121 3.638 5.158) 7.538 8.260 ( 3.744 -5.467 0.710) 6.664 8.260 ( 3.744 5.467 0.710) 6.664 8.338 ( -1.175 -2.485 -0.724) 2.842 8.338 ( -1.175 2.485 -0.724) 2.842 8.381 ( -1.050 -1.689 0.743) 2.123 8.381 ( -1.050 1.689 0.743) 2.123 8.575 ( 4.888 -1.764 -1.039) 5.300 8.575 ( 4.888 1.764 -1.039) 5.300 8.630 ( 0.316 -1.347 2.657) 2.996 8.630 ( 0.316 1.347 2.657) 2.996 8.850 ( -1.061 -5.568 4.290) 7.109 8.850 ( -1.061 5.568 4.290) 7.109 8.897 ( -0.627 -4.918 -6.047) 7.819 8.897 ( -0.627 4.918 -6.047) 7.819 9.001 ( -2.424 -2.994 -1.626) 4.181 9.001 ( -2.424 2.994 -1.626) 4.181 9.186 ( -2.498 -1.211 2.506) 3.740 9.186 ( -2.498 1.211 2.506) 3.740 9.239 ( -1.580 -0.963 3.702) 4.139 9.239 ( -1.580 0.963 3.702) 4.139 9.401 ( 1.844 -4.804 3.343) 6.136 9.401 ( 1.844 4.804 3.343) 6.136 9.487 ( -6.868 -6.380 -2.574) 9.721 9.487 ( -6.868 6.380 -2.574) 9.721 9.662 ( -4.240 -4.239 2.853) 6.640 9.662 ( -4.240 4.239 2.853) 6.640 9.802 ( -3.070 -3.516 -3.237) 5.680 9.802 ( -3.070 3.516 -3.237) 5.680 9.928 ( 0.911 -4.160 -1.454) 4.500 9.928 ( 0.911 4.160 -1.454) 4.500 10.065 ( -3.343 -1.259 2.052) 4.120 10.065 ( -3.343 1.259 2.052) 4.120 10.282 ( -15.862 -0.880 2.004) 16.012 10.282 ( -15.862 0.880 2.004) 16.012 10.458 ( -5.137 -1.755 -6.571) 8.523 10.458 ( -5.137 1.755 -6.571) 8.523 10.800 ( -1.554 -4.844 5.040) 7.162 10.800 ( -1.554 4.844 5.040) 7.162 11.065 ( -3.083 -7.627 -6.242) 10.327 11.065 ( -3.083 7.627 -6.242) 10.327 11.555 ( 0.538 -3.513 5.221) 6.316 11.555 ( 0.538 3.513 5.221) 6.316 11.883 ( -7.342 -5.274 -6.431) 11.094 11.883 ( -7.342 5.274 -6.431) 11.094 12.801 ( 6.010 -1.977 5.149) 8.157 12.801 ( 6.010 1.977 5.149) 8.157 13.012 ( -0.697 -5.296 -1.702) 5.606 13.012 ( -0.697 5.296 -1.702) 5.606 14.059 ( 1.115 -1.584 -2.694) 3.318 14.059 ( 1.115 1.584 -2.694) 3.318 14.224 ( -4.437 -2.223 3.255) 5.935 14.224 ( -4.437 2.223 3.255) 5.935 14.714 ( -1.262 -0.738 0.442) 1.527 14.714 ( -1.262 0.738 0.442) 1.527 14.742 ( -0.478 -2.160 -2.794) 3.563 14.742 ( -0.478 2.160 -2.794) 3.563 16.522 ( 0.313 -0.628 9.938) 9.963 16.522 ( 0.313 0.628 9.938) 9.963 16.608 ( 2.921 -0.804 -5.801) 6.545 16.608 ( 2.921 0.804 -5.801) 6.545 17.027 ( 0.773 -1.521 1.526) 2.289 17.027 ( 0.773 1.521 1.526) 2.289 17.130 ( 0.200 -1.430 -4.097) 4.344 17.130 ( 0.200 1.430 -4.097) 4.344 17.432 ( 1.965 -0.790 -1.240) 2.454 17.432 ( 1.965 0.790 -1.240) 2.454 17.544 ( -2.622 -0.773 0.577) 2.794 17.544 ( -2.622 0.773 0.577) 2.794 17.687 ( -0.147 -2.314 -0.151) 2.323 17.687 ( -0.147 2.314 -0.151) 2.323 17.780 ( -1.325 -1.299 2.386) 3.023 17.780 ( -1.325 1.299 2.386) 3.023 17.915 ( 1.409 -2.574 1.211) 3.175 17.915 ( 1.409 2.574 1.211) 3.175 18.035 ( 0.641 -1.419 4.133) 4.416 18.035 ( 0.641 1.419 4.133) 4.416 18.172 ( -1.674 -1.020 -5.729) 6.055 18.172 ( -1.674 1.020 -5.729) 6.055 18.222 ( -1.525 -2.538 -1.415) 3.282 18.222 ( -1.525 2.538 -1.415) 3.282 18.706 ( 0.079 -0.976 -0.230) 1.006 18.706 ( 0.079 0.976 -0.230) 1.006 18.799 ( -0.341 -1.188 -0.808) 1.477 18.799 ( -0.341 1.188 -0.808) 1.477 21.070 ( 19.029 -0.968 -2.288) 19.191 21.070 ( 19.029 0.968 -2.288) 19.191 21.081 ( 19.086 -2.221 0.051) 19.214 21.081 ( 19.086 2.221 0.051) 19.214 21.529 ( 5.121 -6.866 4.456) 9.655 21.529 ( 5.121 6.866 4.456) 9.655 21.657 ( -12.655 -0.806 -0.024) 12.680 21.657 ( -12.655 0.806 -0.024) 12.680 21.787 ( -4.236 -2.111 4.303) 6.397 21.787 ( -4.236 2.111 4.303) 6.397 22.086 ( -5.329 -5.213 -1.903) 7.694 22.086 ( -5.329 5.213 -1.903) 7.694 27.061 ( 0.420 -0.115 -0.116) 0.451 27.061 ( 0.420 0.115 -0.116) 0.451 27.090 ( -0.286 -0.130 0.012) 0.314 27.090 ( -0.286 0.130 0.012) 0.314 27.595 ( -0.150 -0.500 0.111) 0.534 27.595 ( -0.150 0.500 0.111) 0.534 27.605 ( -0.746 -0.280 0.041) 0.798 27.605 ( -0.746 0.280 0.041) 0.798 27.818 ( 1.368 -0.133 0.337) 1.415 27.818 ( 1.368 0.133 0.337) 1.415 27.897 ( -2.174 -0.212 -0.702) 2.294 27.897 ( -2.174 0.212 -0.702) 2.294 36.834 ( 4.821 -0.919 4.679) 6.781 36.834 ( 4.821 0.919 4.679) 6.781 37.103 ( -3.371 -2.570 -6.083) 7.414 37.103 ( -3.371 2.570 -6.083) 7.414 37.267 ( -0.117 -2.311 -4.708) 5.246 37.267 ( -0.117 2.311 -4.708) 5.246 37.346 ( 1.973 -1.917 -2.663) 3.829 37.346 ( 1.973 1.917 -2.663) 3.829 38.002 ( 10.781 -1.918 -2.242) 11.177 38.002 ( 10.781 1.918 -2.242) 11.177 38.248 ( -0.746 -9.064 4.468) 10.133 38.248 ( -0.746 9.064 4.468) 10.133 38.310 ( 4.784 -1.687 3.949) 6.429 38.310 ( 4.784 1.687 3.949) 6.429 38.593 ( -0.727 -2.772 -2.254) 3.646 38.593 ( -0.727 2.772 -2.254) 3.646 38.758 ( 2.721 -1.404 1.883) 3.595 38.758 ( 2.721 1.404 1.883) 3.595 38.870 ( -1.904 -3.874 -3.445) 5.522 38.870 ( -1.904 3.874 -3.445) 5.522 39.324 ( -22.283 -3.627 3.331) 22.821 39.324 ( -22.283 3.627 3.331) 22.821 39.595 ( -22.080 -2.919 -5.070) 22.842 39.595 ( -22.080 2.919 -5.070) 22.842 ======================= Grid point 191 (96/96) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 0.000 0.000 -0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 1.944 ( -0.000 -0.000 -0.000) 0.000 1.944 ( 0.000 0.000 -0.000) 0.000 2.366 ( -0.000 0.000 -0.000) 0.000 2.366 ( 0.000 -0.000 0.000) 0.000 2.386 ( -0.000 -0.000 -0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 -0.000 -0.000) 0.000 2.633 ( 0.000 0.000 -0.000) 0.000 2.970 ( 0.000 -0.000 -0.000) 0.000 2.970 ( 0.000 0.000 -0.000) 0.000 3.134 ( -0.000 -0.000 -0.000) 0.000 3.134 ( 0.000 0.000 -0.000) 0.000 3.161 ( 0.000 -0.000 -0.000) 0.000 3.161 ( -0.000 0.000 -0.000) 0.000 3.645 ( 0.000 0.000 -0.000) 0.000 3.645 ( 0.000 0.000 0.000) 0.000 3.869 ( 0.000 0.000 -0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 -0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 -0.000) 0.000 4.105 ( 0.000 0.000 -0.000) 0.000 4.456 ( 0.000 -0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.481 ( -0.000 -0.000 -0.000) 0.000 4.481 ( 0.000 0.000 -0.000) 0.000 5.050 ( 0.000 -0.000 -0.000) 0.000 5.050 ( 0.000 0.000 -0.000) 0.000 5.157 ( 0.000 -0.000 -0.000) 0.000 5.157 ( 0.000 0.000 -0.000) 0.000 5.213 ( 0.000 0.000 -0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 -0.000) 0.000 5.323 ( 0.000 0.000 -0.000) 0.000 5.699 ( 0.000 -0.000 0.000) 0.000 5.699 ( 0.000 -0.000 0.000) 0.000 5.717 ( -0.000 0.000 -0.000) 0.000 5.717 ( 0.000 0.000 -0.000) 0.000 5.936 ( 0.000 -0.000 -0.000) 0.000 5.936 ( -0.000 0.000 -0.000) 0.000 6.069 ( 0.000 -0.000 0.000) 0.000 6.069 ( 0.000 0.000 0.000) 0.000 6.168 ( 0.000 0.000 -0.000) 0.000 6.168 ( 0.000 0.000 -0.000) 0.000 6.397 ( 0.000 -0.000 -0.000) 0.000 6.397 ( 0.000 0.000 -0.000) 0.000 6.661 ( 0.000 -0.000 -0.000) 0.000 6.661 ( 0.000 0.000 -0.000) 0.000 6.675 ( -0.000 -0.000 0.000) 0.000 6.675 ( -0.000 0.000 0.000) 0.000 6.924 ( 0.000 0.000 -0.000) 0.000 6.924 ( 0.000 0.000 0.000) 0.000 7.105 ( 0.000 0.000 -0.000) 0.000 7.105 ( 0.000 0.000 -0.000) 0.000 7.247 ( 0.000 0.000 -0.000) 0.000 7.247 ( 0.000 -0.000 0.000) 0.000 7.327 ( 0.000 0.000 -0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 7.504 ( -0.000 -0.000 -0.000) 0.000 7.504 ( -0.000 0.000 -0.000) 0.000 7.591 ( 0.000 -0.000 -0.000) 0.000 7.591 ( 0.000 0.000 -0.000) 0.000 7.802 ( 0.000 -0.000 -0.000) 0.000 7.802 ( 0.000 0.000 -0.000) 0.000 7.849 ( -0.000 -0.000 -0.000) 0.000 7.849 ( -0.000 0.000 0.000) 0.000 7.938 ( 0.000 -0.000 -0.000) 0.000 7.938 ( 0.000 0.000 -0.000) 0.000 8.067 ( 0.000 0.000 -0.000) 0.000 8.067 ( 0.000 0.000 -0.000) 0.000 8.282 ( 0.000 0.000 -0.000) 0.000 8.282 ( 0.000 0.000 0.000) 0.000 8.320 ( 0.000 0.000 -0.000) 0.000 8.320 ( 0.000 0.000 -0.000) 0.000 8.464 ( 0.000 0.000 -0.000) 0.000 8.464 ( -0.000 -0.000 0.000) 0.000 8.546 ( 0.000 0.000 -0.000) 0.000 8.546 ( 0.000 0.000 -0.000) 0.000 8.728 ( -0.000 0.000 -0.000) 0.000 8.728 ( 0.000 0.000 -0.000) 0.000 8.775 ( 0.000 -0.000 0.000) 0.000 8.775 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 -0.000) 0.000 8.973 ( 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 9.203 ( 0.000 -0.000 0.000) 0.000 9.203 ( 0.000 0.000 0.000) 0.000 9.417 ( -0.000 -0.000 -0.000) 0.000 9.417 ( 0.000 0.000 -0.000) 0.000 9.431 ( 0.000 0.000 -0.000) 0.000 9.431 ( 0.000 0.000 0.000) 0.000 9.662 ( -0.000 -0.000 -0.000) 0.000 9.662 ( 0.000 0.000 -0.000) 0.000 9.746 ( 0.000 -0.000 -0.000) 0.000 9.746 ( 0.000 0.000 -0.000) 0.000 9.987 ( 0.000 0.000 -0.000) 0.000 9.987 ( -0.000 0.000 0.000) 0.000 10.028 ( -0.000 0.000 -0.000) 0.000 10.028 ( 0.000 0.000 -0.000) 0.000 10.126 ( 0.000 -0.000 -0.000) 0.000 10.126 ( 0.000 0.000 -0.000) 0.000 10.366 ( 0.000 0.000 -0.000) 0.000 10.366 ( 0.000 0.000 -0.000) 0.000 10.810 ( 0.000 -0.000 -0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 11.019 ( 0.000 -0.000 -0.000) 0.000 11.019 ( 0.000 0.000 -0.000) 0.000 11.596 ( 0.000 0.000 -0.000) 0.000 11.596 ( 0.000 0.000 -0.000) 0.000 11.769 ( 0.000 0.000 -0.000) 0.000 11.769 ( 0.000 0.000 0.000) 0.000 12.896 ( 0.000 0.000 -0.000) 0.000 12.896 ( 0.000 0.000 -0.000) 0.000 12.981 ( 0.000 0.000 -0.000) 0.000 12.981 ( 0.000 0.000 0.000) 0.000 14.061 ( 0.000 0.000 -0.000) 0.000 14.061 ( 0.000 0.000 0.000) 0.000 14.195 ( 0.000 -0.000 -0.000) 0.000 14.195 ( 0.000 0.000 -0.000) 0.000 14.700 ( 0.000 0.000 -0.000) 0.000 14.700 ( 0.000 0.000 -0.000) 0.000 14.732 ( 0.000 0.000 0.000) 0.000 14.732 ( -0.000 0.000 0.000) 0.000 16.580 ( 0.000 0.000 0.000) 0.000 16.580 ( 0.000 0.000 0.000) 0.000 16.594 ( 0.000 0.000 -0.000) 0.000 16.594 ( 0.000 0.000 -0.000) 0.000 17.041 ( 0.000 0.000 -0.000) 0.000 17.041 ( 0.000 -0.000 0.000) 0.000 17.116 ( 0.000 0.000 -0.000) 0.000 17.116 ( 0.000 0.000 -0.000) 0.000 17.451 ( 0.000 0.000 -0.000) 0.000 17.451 ( 0.000 0.000 -0.000) 0.000 17.516 ( 0.000 -0.000 -0.000) 0.000 17.516 ( 0.000 0.000 -0.000) 0.000 17.684 ( 0.000 0.000 -0.000) 0.000 17.684 ( 0.000 0.000 0.000) 0.000 17.777 ( 0.000 -0.000 -0.000) 0.000 17.777 ( 0.000 0.000 -0.000) 0.000 17.937 ( 0.000 -0.000 -0.000) 0.000 17.937 ( 0.000 0.000 -0.000) 0.000 18.071 ( 0.000 0.000 -0.000) 0.000 18.071 ( 0.000 0.000 -0.000) 0.000 18.120 ( 0.000 0.000 -0.000) 0.000 18.120 ( 0.000 0.000 0.000) 0.000 18.202 ( 0.000 0.000 -0.000) 0.000 18.202 ( 0.000 0.000 0.000) 0.000 18.706 ( 0.000 0.000 -0.000) 0.000 18.706 ( 0.000 0.000 -0.000) 0.000 18.794 ( 0.000 0.000 -0.000) 0.000 18.794 ( 0.000 0.000 0.000) 0.000 21.343 ( 0.000 -0.000 -0.000) 0.000 21.343 ( 0.000 -0.000 -0.000) 0.000 21.349 ( -0.000 0.000 -0.000) 0.000 21.349 ( 0.000 0.000 -0.000) 0.000 21.411 ( -0.000 0.000 0.000) 0.000 21.411 ( -0.000 0.000 0.000) 0.000 21.449 ( -0.000 -0.000 -0.000) 0.000 21.449 ( 0.000 0.000 -0.000) 0.000 21.884 ( -0.000 0.000 -0.000) 0.000 21.884 ( 0.000 0.000 -0.000) 0.000 21.979 ( 0.000 0.000 -0.000) 0.000 21.979 ( 0.000 -0.000 0.000) 0.000 27.065 ( 0.000 0.000 -0.000) 0.000 27.065 ( 0.000 0.000 -0.000) 0.000 27.087 ( 0.000 0.000 0.000) 0.000 27.087 ( 0.000 0.000 0.000) 0.000 27.596 ( 0.000 -0.000 -0.000) 0.000 27.596 ( -0.000 -0.000 0.000) 0.000 27.597 ( 0.000 0.000 -0.000) 0.000 27.597 ( -0.000 0.000 0.000) 0.000 27.840 ( 0.000 -0.000 -0.000) 0.000 27.840 ( 0.000 0.000 -0.000) 0.000 27.867 ( -0.000 0.000 -0.000) 0.000 27.867 ( -0.000 0.000 -0.000) 0.000 36.952 ( 0.000 -0.000 -0.000) 0.000 36.952 ( 0.000 0.000 -0.000) 0.000 36.987 ( 0.000 0.000 -0.000) 0.000 36.987 ( 0.000 0.000 0.000) 0.000 37.246 ( 0.000 -0.000 -0.000) 0.000 37.246 ( 0.000 0.000 -0.000) 0.000 37.357 ( 0.000 -0.000 -0.000) 0.000 37.357 ( 0.000 0.000 -0.000) 0.000 38.148 ( 0.000 -0.000 -0.000) 0.000 38.148 ( 0.000 0.000 -0.000) 0.000 38.165 ( -0.000 -0.000 0.000) 0.000 38.165 ( -0.000 0.000 0.000) 0.000 38.419 ( 0.000 -0.000 -0.000) 0.000 38.419 ( 0.000 0.000 -0.000) 0.000 38.569 ( 0.000 -0.000 -0.000) 0.000 38.569 ( 0.000 0.000 -0.000) 0.000 38.793 ( 0.000 0.000 -0.000) 0.000 38.793 ( 0.000 0.000 -0.000) 0.000 38.909 ( -0.000 -0.000 -0.000) 0.000 38.909 ( -0.000 0.000 0.000) 0.000 39.159 ( -0.000 0.000 -0.000) 0.000 39.159 ( 0.000 0.000 0.000) 0.000 39.285 ( -0.000 0.000 -0.000) 0.000 39.285 ( 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 3/48960 10.0 307.857 380.838 391.739 0.000 70.766 0.000 3/48960 20.0 57.381 61.694 58.813 0.000 5.887 0.000 3/48960 30.0 20.773 21.675 20.806 0.000 2.073 0.000 3/48960 40.0 10.741 11.020 10.547 0.000 1.097 0.000 3/48960 50.0 6.734 6.810 6.520 0.000 0.690 0.000 3/48960 60.0 4.746 4.733 4.546 0.000 0.483 0.000 3/48960 70.0 3.612 3.554 3.431 0.000 0.363 0.000 3/48960 80.0 2.900 2.817 2.735 0.000 0.287 0.000 3/48960 90.0 2.421 2.324 2.268 0.000 0.236 0.000 3/48960 100.0 2.080 1.975 1.937 0.000 0.200 0.000 3/48960 110.0 1.827 1.717 1.692 0.000 0.173 0.000 3/48960 120.0 1.633 1.519 1.504 0.000 0.152 0.000 3/48960 130.0 1.480 1.364 1.356 0.000 0.136 0.000 3/48960 140.0 1.357 1.239 1.236 0.000 0.123 0.000 3/48960 150.0 1.256 1.136 1.137 0.000 0.112 0.000 3/48960 160.0 1.172 1.050 1.054 0.000 0.103 0.000 3/48960 170.0 1.102 0.977 0.984 0.000 0.096 0.000 3/48960 180.0 1.042 0.914 0.923 0.000 0.089 0.000 3/48960 190.0 0.991 0.860 0.871 0.000 0.083 0.000 3/48960 200.0 0.946 0.812 0.824 0.000 0.078 0.000 3/48960 210.0 0.908 0.770 0.783 0.000 0.074 0.000 3/48960 220.0 0.874 0.732 0.747 0.000 0.070 0.000 3/48960 230.0 0.844 0.699 0.714 0.000 0.066 0.000 3/48960 240.0 0.818 0.668 0.685 0.000 0.063 0.000 3/48960 250.0 0.794 0.641 0.658 0.000 0.060 0.000 3/48960 260.0 0.773 0.616 0.634 0.000 0.058 0.000 3/48960 270.0 0.753 0.593 0.611 0.000 0.055 0.000 3/48960 280.0 0.736 0.572 0.591 0.000 0.053 0.000 3/48960 290.0 0.720 0.552 0.572 0.000 0.051 0.000 3/48960 300.0 0.706 0.534 0.554 0.000 0.049 0.000 3/48960 310.0 0.692 0.518 0.538 0.000 0.047 0.000 3/48960 320.0 0.680 0.502 0.523 0.000 0.046 0.000 3/48960 330.0 0.669 0.488 0.508 0.000 0.044 0.000 3/48960 340.0 0.658 0.474 0.495 0.000 0.043 0.000 3/48960 350.0 0.648 0.462 0.483 0.000 0.041 0.000 3/48960 360.0 0.639 0.450 0.471 0.000 0.040 0.000 3/48960 370.0 0.630 0.439 0.460 0.000 0.039 0.000 3/48960 380.0 0.622 0.428 0.449 0.000 0.038 0.000 3/48960 390.0 0.614 0.418 0.439 0.000 0.037 0.000 3/48960 400.0 0.607 0.409 0.430 0.000 0.036 0.000 3/48960 410.0 0.600 0.400 0.421 0.000 0.035 0.000 3/48960 420.0 0.593 0.391 0.413 0.000 0.034 0.000 3/48960 430.0 0.587 0.383 0.405 0.000 0.033 0.000 3/48960 440.0 0.581 0.376 0.397 0.000 0.033 0.000 3/48960 450.0 0.575 0.368 0.389 0.000 0.032 0.000 3/48960 460.0 0.569 0.361 0.382 0.000 0.031 0.000 3/48960 470.0 0.564 0.355 0.376 0.000 0.031 0.000 3/48960 480.0 0.558 0.348 0.369 0.000 0.030 0.000 3/48960 490.0 0.553 0.342 0.363 0.000 0.029 0.000 3/48960 500.0 0.548 0.336 0.357 0.000 0.029 0.000 3/48960 510.0 0.543 0.331 0.351 0.000 0.028 0.000 3/48960 520.0 0.538 0.325 0.346 0.000 0.028 0.000 3/48960 530.0 0.534 0.320 0.340 0.000 0.027 0.000 3/48960 540.0 0.529 0.315 0.335 0.000 0.027 0.000 3/48960 550.0 0.525 0.310 0.330 0.000 0.026 0.000 3/48960 560.0 0.520 0.305 0.326 0.000 0.026 0.000 3/48960 570.0 0.516 0.301 0.321 0.000 0.025 0.000 3/48960 580.0 0.512 0.296 0.316 0.000 0.025 0.000 3/48960 590.0 0.508 0.292 0.312 0.000 0.024 0.000 3/48960 600.0 0.504 0.288 0.308 0.000 0.024 0.000 3/48960 610.0 0.500 0.284 0.304 0.000 0.024 0.000 3/48960 620.0 0.496 0.280 0.300 0.000 0.023 0.000 3/48960 630.0 0.492 0.276 0.296 0.000 0.023 0.000 3/48960 640.0 0.488 0.273 0.292 0.000 0.023 0.000 3/48960 650.0 0.485 0.269 0.289 0.000 0.022 0.000 3/48960 660.0 0.481 0.266 0.285 0.000 0.022 0.000 3/48960 670.0 0.477 0.263 0.282 0.000 0.022 0.000 3/48960 680.0 0.474 0.259 0.278 0.000 0.021 0.000 3/48960 690.0 0.470 0.256 0.275 0.000 0.021 0.000 3/48960 700.0 0.467 0.253 0.272 0.000 0.021 0.000 3/48960 710.0 0.463 0.250 0.269 0.000 0.020 0.000 3/48960 720.0 0.460 0.247 0.266 0.000 0.020 0.000 3/48960 730.0 0.457 0.244 0.263 0.000 0.020 0.000 3/48960 740.0 0.454 0.242 0.260 0.000 0.020 0.000 3/48960 750.0 0.450 0.239 0.257 0.000 0.019 0.000 3/48960 760.0 0.447 0.236 0.254 0.000 0.019 0.000 3/48960 770.0 0.444 0.234 0.252 0.000 0.019 0.000 3/48960 780.0 0.441 0.231 0.249 0.000 0.019 0.000 3/48960 790.0 0.438 0.229 0.246 0.000 0.019 0.000 3/48960 800.0 0.435 0.226 0.244 0.000 0.018 0.000 3/48960 810.0 0.432 0.224 0.241 0.000 0.018 0.000 3/48960 820.0 0.429 0.222 0.239 0.000 0.018 0.000 3/48960 830.0 0.426 0.219 0.237 0.000 0.018 0.000 3/48960 840.0 0.423 0.217 0.234 0.000 0.017 0.000 3/48960 850.0 0.420 0.215 0.232 0.000 0.017 0.000 3/48960 860.0 0.418 0.213 0.230 0.000 0.017 0.000 3/48960 870.0 0.415 0.211 0.228 0.000 0.017 0.000 3/48960 880.0 0.412 0.209 0.226 0.000 0.017 0.000 3/48960 890.0 0.409 0.207 0.224 0.000 0.017 0.000 3/48960 900.0 0.407 0.205 0.222 0.000 0.016 0.000 3/48960 910.0 0.404 0.203 0.220 0.000 0.016 0.000 3/48960 920.0 0.401 0.201 0.218 0.000 0.016 0.000 3/48960 930.0 0.399 0.199 0.216 0.000 0.016 0.000 3/48960 940.0 0.396 0.198 0.214 0.000 0.016 0.000 3/48960 950.0 0.394 0.196 0.212 0.000 0.016 0.000 3/48960 960.0 0.391 0.194 0.210 0.000 0.015 0.000 3/48960 970.0 0.389 0.192 0.208 0.000 0.015 0.000 3/48960 980.0 0.386 0.191 0.207 0.000 0.015 0.000 3/48960 990.0 0.384 0.189 0.205 0.000 0.015 0.000 3/48960 1000.0 0.382 0.187 0.203 0.000 0.015 0.000 3/48960 Thermal conductivity related properties were written into "kappa-m1046.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:56:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|