----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:00:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.206290660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.207207270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.079461410000000 Atomic positions (fractional): *1 Ba 0.38791938285246 0.25000000000000 0.91677544615556 137.327 2 Ba 0.61208061714754 0.75000000000000 0.08322455384444 137.327 3 Ba 0.88791938285246 0.25000000000000 0.58322455384444 137.327 4 Ba 0.11208061714754 0.75000000000000 0.41677544615556 137.327 *5 Si 0.07250367217811 0.56570124050797 0.81056704216016 28.085 6 Si 0.07250367217811 0.93429875949203 0.81056704216016 28.085 7 Si 0.92749632782189 0.06570124050797 0.18943295783983 28.085 8 Si 0.92749632782189 0.43429875949203 0.18943295783983 28.085 9 Si 0.42749632782189 0.43429875949203 0.31056704216017 28.085 10 Si 0.42749632782189 0.06570124050797 0.31056704216017 28.085 11 Si 0.57250367217811 0.56570124050797 0.68943295783984 28.085 12 Si 0.57250367217811 0.93429875949203 0.68943295783984 28.085 *13 B 0.77114706120317 0.08609016117405 0.91115629489790 10.811 14 B 0.72885293879683 0.91390983882595 0.41115629489790 10.811 15 B 0.22885293879683 0.58609016117405 0.08884370510210 10.811 16 B 0.27114706120317 0.08609016117405 0.58884370510210 10.811 17 B 0.72885293879683 0.58609016117405 0.41115629489790 10.811 18 B 0.27114706120317 0.41390983882595 0.58884370510210 10.811 19 B 0.22885293879683 0.91390983882595 0.08884370510210 10.811 20 B 0.77114706120317 0.41390983882595 0.91115629489790 10.811 *21 O 0.20950700377234 0.25000000000000 0.61840880906467 15.999 22 O 0.29049299622766 0.75000000000000 0.11840880906467 15.999 *23 O 0.35440527710108 0.03034892767385 0.14611324650545 15.999 *24 O 0.78178653934200 0.04471634543538 0.06924158469605 15.999 *25 O 0.07209939711155 0.93424639318180 0.16354269417859 15.999 26 O 0.85440527710108 0.03034892767385 0.35388675349455 15.999 *27 O 0.50348887398158 0.25000000000000 0.31220284598362 15.999 28 O 0.64559472289892 0.96965107232615 0.85388675349455 15.999 29 O 0.64559472289892 0.53034892767385 0.85388675349455 15.999 30 O 0.92790060288845 0.06575360681820 0.83645730582141 15.999 31 O 0.14559472289892 0.96965107232615 0.64611324650545 15.999 32 O 0.78178653934200 0.45528365456462 0.06924158469605 15.999 33 O 0.79049299622766 0.75000000000000 0.38159119093533 15.999 34 O 0.71821346065800 0.54471634543538 0.56924158469605 15.999 35 O 0.57209939711155 0.93424639318180 0.33645730582141 15.999 36 O 0.07209939711155 0.56575360681820 0.16354269417859 15.999 37 O 0.85440527710108 0.46965107232615 0.35388675349455 15.999 38 O 0.42790060288845 0.43424639318180 0.66354269417859 15.999 39 O 0.70950700377234 0.25000000000000 0.88159119093533 15.999 40 O 0.71821346065800 0.95528365456462 0.56924158469605 15.999 41 O 0.92790060288845 0.43424639318180 0.83645730582141 15.999 42 O 0.00348887398158 0.25000000000000 0.18779715401638 15.999 43 O 0.42790060288845 0.06575360681820 0.66354269417859 15.999 44 O 0.21821346065801 0.54471634543538 0.93075841530395 15.999 45 O 0.99651112601842 0.75000000000000 0.81220284598362 15.999 46 O 0.21821346065801 0.95528365456462 0.93075841530395 15.999 47 O 0.57209939711155 0.56575360681820 0.33645730582141 15.999 48 O 0.28178653934199 0.04471634543538 0.43075841530395 15.999 49 O 0.14559472289892 0.53034892767385 0.64611324650545 15.999 50 O 0.35440527710108 0.46965107232615 0.14611324650545 15.999 51 O 0.49651112601842 0.75000000000000 0.68779715401638 15.999 52 O 0.28178653934199 0.45528365456462 0.43075841530395 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.206290660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.207207270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.079461410000000 Atomic positions (fractional): *1 Ba 0.38791938285246 0.25000000000000 0.91677544615556 137.327 > 1 2 Ba 0.61208061714754 0.75000000000000 0.08322455384444 137.327 > 2 3 Ba 0.88791938285246 0.25000000000000 0.58322455384444 137.327 > 3 4 Ba 0.11208061714754 0.75000000000000 0.41677544615556 137.327 > 4 *5 Si 0.07250367217811 0.56570124050797 0.81056704216016 28.085 > 5 6 Si 0.07250367217811 0.93429875949203 0.81056704216016 28.085 > 6 7 Si 0.92749632782189 0.06570124050797 0.18943295783983 28.085 > 7 8 Si 0.92749632782189 0.43429875949203 0.18943295783983 28.085 > 8 9 Si 0.42749632782189 0.43429875949203 0.31056704216017 28.085 > 9 10 Si 0.42749632782189 0.06570124050797 0.31056704216017 28.085 > 10 11 Si 0.57250367217811 0.56570124050797 0.68943295783984 28.085 > 11 12 Si 0.57250367217811 0.93429875949203 0.68943295783984 28.085 > 12 *13 B 0.77114706120317 0.08609016117405 0.91115629489790 10.811 > 13 14 B 0.72885293879683 0.91390983882595 0.41115629489790 10.811 > 14 15 B 0.22885293879683 0.58609016117405 0.08884370510210 10.811 > 15 16 B 0.27114706120317 0.08609016117405 0.58884370510210 10.811 > 16 17 B 0.72885293879683 0.58609016117405 0.41115629489790 10.811 > 17 18 B 0.27114706120317 0.41390983882595 0.58884370510210 10.811 > 18 19 B 0.22885293879683 0.91390983882595 0.08884370510210 10.811 > 19 20 B 0.77114706120317 0.41390983882595 0.91115629489790 10.811 > 20 *21 O 0.20950700377234 0.25000000000000 0.61840880906467 15.999 > 21 22 O 0.29049299622766 0.75000000000000 0.11840880906467 15.999 > 22 *23 O 0.35440527710108 0.03034892767385 0.14611324650545 15.999 > 23 *24 O 0.78178653934200 0.04471634543538 0.06924158469605 15.999 > 24 *25 O 0.07209939711155 0.93424639318180 0.16354269417859 15.999 > 25 26 O 0.85440527710108 0.03034892767385 0.35388675349455 15.999 > 26 *27 O 0.50348887398158 0.25000000000000 0.31220284598362 15.999 > 27 28 O 0.64559472289892 0.96965107232615 0.85388675349455 15.999 > 28 29 O 0.64559472289892 0.53034892767385 0.85388675349455 15.999 > 29 30 O 0.92790060288845 0.06575360681820 0.83645730582141 15.999 > 30 31 O 0.14559472289892 0.96965107232615 0.64611324650545 15.999 > 31 32 O 0.78178653934200 0.45528365456462 0.06924158469605 15.999 > 32 33 O 0.79049299622766 0.75000000000000 0.38159119093533 15.999 > 33 34 O 0.71821346065800 0.54471634543538 0.56924158469605 15.999 > 34 35 O 0.57209939711155 0.93424639318180 0.33645730582141 15.999 > 35 36 O 0.07209939711155 0.56575360681820 0.16354269417859 15.999 > 36 37 O 0.85440527710108 0.46965107232615 0.35388675349455 15.999 > 37 38 O 0.42790060288845 0.43424639318180 0.66354269417859 15.999 > 38 39 O 0.70950700377234 0.25000000000000 0.88159119093533 15.999 > 39 40 O 0.71821346065800 0.95528365456462 0.56924158469605 15.999 > 40 41 O 0.92790060288845 0.43424639318180 0.83645730582141 15.999 > 41 42 O 0.00348887398158 0.25000000000000 0.18779715401638 15.999 > 42 43 O 0.42790060288845 0.06575360681820 0.66354269417859 15.999 > 43 44 O 0.21821346065801 0.54471634543538 0.93075841530395 15.999 > 44 45 O 0.99651112601842 0.75000000000000 0.81220284598362 15.999 > 45 46 O 0.21821346065801 0.95528365456462 0.93075841530395 15.999 > 46 47 O 0.57209939711155 0.56575360681820 0.33645730582141 15.999 > 47 48 O 0.28178653934199 0.04471634543538 0.43075841530395 15.999 > 48 49 O 0.14559472289892 0.53034892767385 0.64611324650545 15.999 > 49 50 O 0.35440527710108 0.46965107232615 0.14611324650545 15.999 > 50 51 O 0.49651112601842 0.75000000000000 0.68779715401638 15.999 > 51 52 O 0.28178653934199 0.45528365456462 0.43075841530395 15.999 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.412581320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.207207270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.079461410000000 Atomic positions (fractional): *1 Ba 0.19395969142623 0.25000000000000 0.91677544615556 137.327 > 1 2 Ba 0.69395969142623 0.25000000000000 0.91677544615556 137.327 > 1 3 Ba 0.30604030857377 0.75000000000000 0.08322455384444 137.327 > 2 4 Ba 0.80604030857377 0.75000000000000 0.08322455384444 137.327 > 2 5 Ba 0.44395969142623 0.25000000000000 0.58322455384444 137.327 > 3 6 Ba 0.94395969142623 0.25000000000000 0.58322455384444 137.327 > 3 7 Ba 0.05604030857377 0.75000000000000 0.41677544615556 137.327 > 4 8 Ba 0.55604030857377 0.75000000000000 0.41677544615556 137.327 > 4 *9 Si 0.03625183608906 0.56570124050797 0.81056704216016 28.085 > 5 10 Si 0.53625183608906 0.56570124050797 0.81056704216016 28.085 > 5 11 Si 0.03625183608906 0.93429875949203 0.81056704216016 28.085 > 6 12 Si 0.53625183608906 0.93429875949203 0.81056704216016 28.085 > 6 13 Si 0.46374816391094 0.06570124050797 0.18943295783983 28.085 > 7 14 Si 0.96374816391094 0.06570124050797 0.18943295783983 28.085 > 7 15 Si 0.46374816391094 0.43429875949203 0.18943295783983 28.085 > 8 16 Si 0.96374816391094 0.43429875949203 0.18943295783983 28.085 > 8 17 Si 0.21374816391094 0.43429875949203 0.31056704216017 28.085 > 9 18 Si 0.71374816391094 0.43429875949203 0.31056704216017 28.085 > 9 19 Si 0.21374816391094 0.06570124050797 0.31056704216017 28.085 > 10 20 Si 0.71374816391094 0.06570124050797 0.31056704216017 28.085 > 10 21 Si 0.28625183608906 0.56570124050797 0.68943295783984 28.085 > 11 22 Si 0.78625183608906 0.56570124050797 0.68943295783984 28.085 > 11 23 Si 0.28625183608906 0.93429875949203 0.68943295783984 28.085 > 12 24 Si 0.78625183608906 0.93429875949203 0.68943295783984 28.085 > 12 *25 B 0.38557353060159 0.08609016117405 0.91115629489790 10.811 > 13 26 B 0.88557353060159 0.08609016117405 0.91115629489790 10.811 > 13 27 B 0.36442646939841 0.91390983882595 0.41115629489790 10.811 > 14 28 B 0.86442646939841 0.91390983882595 0.41115629489790 10.811 > 14 29 B 0.11442646939841 0.58609016117405 0.08884370510210 10.811 > 15 30 B 0.61442646939841 0.58609016117405 0.08884370510210 10.811 > 15 31 B 0.13557353060159 0.08609016117405 0.58884370510210 10.811 > 16 32 B 0.63557353060159 0.08609016117405 0.58884370510210 10.811 > 16 33 B 0.36442646939841 0.58609016117405 0.41115629489790 10.811 > 17 34 B 0.86442646939841 0.58609016117405 0.41115629489790 10.811 > 17 35 B 0.13557353060159 0.41390983882595 0.58884370510210 10.811 > 18 36 B 0.63557353060159 0.41390983882595 0.58884370510210 10.811 > 18 37 B 0.11442646939841 0.91390983882595 0.08884370510210 10.811 > 19 38 B 0.61442646939841 0.91390983882595 0.08884370510210 10.811 > 19 39 B 0.38557353060159 0.41390983882595 0.91115629489790 10.811 > 20 40 B 0.88557353060159 0.41390983882595 0.91115629489790 10.811 > 20 *41 O 0.10475350188617 0.25000000000000 0.61840880906467 15.999 > 21 42 O 0.60475350188617 0.25000000000000 0.61840880906467 15.999 > 21 43 O 0.14524649811383 0.75000000000000 0.11840880906467 15.999 > 22 44 O 0.64524649811383 0.75000000000000 0.11840880906467 15.999 > 22 *45 O 0.17720263855054 0.03034892767385 0.14611324650545 15.999 > 23 46 O 0.67720263855054 0.03034892767385 0.14611324650545 15.999 > 23 *47 O 0.39089326967100 0.04471634543538 0.06924158469605 15.999 > 24 48 O 0.89089326967100 0.04471634543538 0.06924158469605 15.999 > 24 *49 O 0.03604969855578 0.93424639318180 0.16354269417859 15.999 > 25 50 O 0.53604969855578 0.93424639318180 0.16354269417859 15.999 > 25 51 O 0.42720263855054 0.03034892767385 0.35388675349455 15.999 > 26 52 O 0.92720263855054 0.03034892767385 0.35388675349455 15.999 > 26 *53 O 0.25174443699079 0.25000000000000 0.31220284598362 15.999 > 27 54 O 0.75174443699079 0.25000000000000 0.31220284598362 15.999 > 27 55 O 0.32279736144946 0.96965107232615 0.85388675349455 15.999 > 28 56 O 0.82279736144946 0.96965107232615 0.85388675349455 15.999 > 28 57 O 0.32279736144946 0.53034892767385 0.85388675349455 15.999 > 29 58 O 0.82279736144946 0.53034892767385 0.85388675349455 15.999 > 29 59 O 0.46395030144422 0.06575360681820 0.83645730582141 15.999 > 30 60 O 0.96395030144422 0.06575360681820 0.83645730582141 15.999 > 30 61 O 0.07279736144946 0.96965107232615 0.64611324650545 15.999 > 31 62 O 0.57279736144946 0.96965107232615 0.64611324650545 15.999 > 31 63 O 0.39089326967100 0.45528365456462 0.06924158469605 15.999 > 32 64 O 0.89089326967100 0.45528365456462 0.06924158469605 15.999 > 32 65 O 0.39524649811383 0.75000000000000 0.38159119093533 15.999 > 33 66 O 0.89524649811383 0.75000000000000 0.38159119093533 15.999 > 33 67 O 0.35910673032900 0.54471634543538 0.56924158469605 15.999 > 34 68 O 0.85910673032900 0.54471634543538 0.56924158469605 15.999 > 34 69 O 0.28604969855578 0.93424639318180 0.33645730582141 15.999 > 35 70 O 0.78604969855578 0.93424639318180 0.33645730582141 15.999 > 35 71 O 0.03604969855578 0.56575360681820 0.16354269417859 15.999 > 36 72 O 0.53604969855578 0.56575360681820 0.16354269417859 15.999 > 36 73 O 0.42720263855054 0.46965107232615 0.35388675349455 15.999 > 37 74 O 0.92720263855054 0.46965107232615 0.35388675349455 15.999 > 37 75 O 0.21395030144422 0.43424639318180 0.66354269417859 15.999 > 38 76 O 0.71395030144422 0.43424639318180 0.66354269417859 15.999 > 38 77 O 0.35475350188617 0.25000000000000 0.88159119093533 15.999 > 39 78 O 0.85475350188617 0.25000000000000 0.88159119093533 15.999 > 39 79 O 0.35910673032900 0.95528365456462 0.56924158469605 15.999 > 40 80 O 0.85910673032900 0.95528365456462 0.56924158469605 15.999 > 40 81 O 0.46395030144422 0.43424639318180 0.83645730582141 15.999 > 41 82 O 0.96395030144422 0.43424639318180 0.83645730582141 15.999 > 41 83 O 0.00174443699079 0.25000000000000 0.18779715401638 15.999 > 42 84 O 0.50174443699079 0.25000000000000 0.18779715401638 15.999 > 42 85 O 0.21395030144422 0.06575360681820 0.66354269417859 15.999 > 43 86 O 0.71395030144422 0.06575360681820 0.66354269417859 15.999 > 43 87 O 0.10910673032900 0.54471634543538 0.93075841530395 15.999 > 44 88 O 0.60910673032900 0.54471634543538 0.93075841530395 15.999 > 44 89 O 0.49825556300921 0.75000000000000 0.81220284598362 15.999 > 45 90 O 0.99825556300921 0.75000000000000 0.81220284598362 15.999 > 45 91 O 0.10910673032900 0.95528365456462 0.93075841530395 15.999 > 46 92 O 0.60910673032900 0.95528365456462 0.93075841530395 15.999 > 46 93 O 0.28604969855578 0.56575360681820 0.33645730582141 15.999 > 47 94 O 0.78604969855578 0.56575360681820 0.33645730582141 15.999 > 47 95 O 0.14089326967100 0.04471634543538 0.43075841530395 15.999 > 48 96 O 0.64089326967100 0.04471634543538 0.43075841530395 15.999 > 48 97 O 0.07279736144946 0.53034892767385 0.64611324650545 15.999 > 49 98 O 0.57279736144946 0.53034892767385 0.64611324650545 15.999 > 49 99 O 0.17720263855054 0.46965107232615 0.14611324650545 15.999 > 50 100 O 0.67720263855054 0.46965107232615 0.14611324650545 15.999 > 50 101 O 0.24825556300921 0.75000000000000 0.68779715401638 15.999 > 51 102 O 0.74825556300921 0.75000000000000 0.68779715401638 15.999 > 51 103 O 0.14089326967100 0.45528365456462 0.43075841530395 15.999 > 52 104 O 0.64089326967100 0.45528365456462 0.43075841530395 15.999 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8681742 0.0000000 0.0000000 0.0000000 2.9083397 0.0000000 0.0000000 0.0000000 2.9039587 -------------------------- Born effective charges -------------------------- 1 Ba 2.5422383 -0.0000000 -0.1888854 -0.0000000 2.8336917 -0.0000000 -0.1426181 0.0000000 2.7423513 2 Ba 2.5422383 -0.0000000 -0.1888854 -0.0000000 2.8336917 -0.0000000 -0.1426181 0.0000000 2.7423513 3 Ba 2.5422383 -0.0000000 0.1888854 -0.0000000 2.8336917 -0.0000000 0.1426181 0.0000000 2.7423513 4 Ba 2.5422383 -0.0000000 0.1888854 -0.0000000 2.8336917 -0.0000000 0.1426181 0.0000000 2.7423513 5 Si 3.1522429 0.3201223 -0.0866422 -0.0789439 3.2785547 0.0995987 0.1295386 0.0546630 3.2681824 6 Si 3.1522429 -0.3201223 -0.0866422 0.0789439 3.2785547 -0.0995987 0.1295386 -0.0546630 3.2681824 7 Si 3.1522429 -0.3201223 -0.0866422 0.0789439 3.2785547 -0.0995987 0.1295386 -0.0546630 3.2681824 8 Si 3.1522429 0.3201223 -0.0866422 -0.0789439 3.2785547 0.0995987 0.1295386 0.0546630 3.2681824 9 Si 3.1522429 0.3201223 0.0866422 -0.0789439 3.2785547 -0.0995987 -0.1295386 -0.0546630 3.2681824 10 Si 3.1522429 -0.3201223 0.0866422 0.0789439 3.2785547 0.0995987 -0.1295386 0.0546630 3.2681824 11 Si 3.1522429 0.3201223 0.0866422 -0.0789439 3.2785547 -0.0995987 -0.1295386 -0.0546630 3.2681824 12 Si 3.1522429 -0.3201223 0.0866422 0.0789439 3.2785547 0.0995987 -0.1295386 0.0546630 3.2681824 13 B 2.6191759 -0.0029197 0.0510228 -0.1719910 2.5210831 -0.0863214 0.0526002 -0.0400541 2.6011265 14 B 2.6191759 -0.0029197 -0.0510228 -0.1719910 2.5210831 0.0863214 -0.0526002 0.0400541 2.6011265 15 B 2.6191759 0.0029197 0.0510228 0.1719910 2.5210831 0.0863214 0.0526002 0.0400541 2.6011265 16 B 2.6191759 -0.0029197 -0.0510228 -0.1719910 2.5210831 0.0863214 -0.0526002 0.0400541 2.6011265 17 B 2.6191759 0.0029197 -0.0510228 0.1719910 2.5210831 -0.0863214 -0.0526002 -0.0400541 2.6011265 18 B 2.6191759 0.0029197 -0.0510228 0.1719910 2.5210831 -0.0863214 -0.0526002 -0.0400541 2.6011265 19 B 2.6191759 -0.0029197 0.0510228 -0.1719910 2.5210831 -0.0863214 0.0526002 -0.0400541 2.6011265 20 B 2.6191759 0.0029197 0.0510228 0.1719910 2.5210831 0.0863214 0.0526002 0.0400541 2.6011265 21 O -1.6581701 -0.0000000 -0.0182953 -0.0000000 -2.6601057 -0.0000000 0.0164167 0.0000000 -1.2082955 22 O -1.6581701 -0.0000000 0.0182953 -0.0000000 -2.6601057 -0.0000000 -0.0164167 0.0000000 -1.2082955 23 O -1.6908244 -0.4320545 -0.4910671 -0.3895773 -1.6485622 -0.2504682 -0.4643340 -0.2024627 -2.0532791 24 O -1.5517863 -0.1920274 -0.4239630 -0.1752496 -1.3352920 0.1975527 -0.4933269 0.1960117 -2.4504138 25 O -2.3591804 0.6534288 0.4599835 0.5902294 -1.4877355 0.0576607 0.4107760 0.0111203 -1.5681809 26 O -1.6908244 -0.4320545 0.4910671 -0.3895773 -1.6485622 0.2504682 0.4643340 0.2024627 -2.0532791 27 O -1.2233237 -0.0000000 -0.0061440 -0.0000000 -2.8296822 -0.0000000 0.0477686 0.0000000 -1.1289260 28 O -1.6908244 -0.4320545 -0.4910671 -0.3895773 -1.6485622 -0.2504682 -0.4643340 -0.2024627 -2.0532791 29 O -1.6908244 0.4320545 -0.4910671 0.3895773 -1.6485622 0.2504682 -0.4643340 0.2024627 -2.0532791 30 O -2.3591804 0.6534288 0.4599835 0.5902294 -1.4877355 0.0576607 0.4107760 0.0111203 -1.5681809 31 O -1.6908244 -0.4320545 0.4910671 -0.3895773 -1.6485622 0.2504682 0.4643340 0.2024627 -2.0532791 32 O -1.5517863 0.1920274 -0.4239630 0.1752496 -1.3352920 -0.1975527 -0.4933269 -0.1960117 -2.4504138 33 O -1.6581701 -0.0000000 -0.0182953 -0.0000000 -2.6601057 -0.0000000 0.0164167 0.0000000 -1.2082955 34 O -1.5517863 0.1920274 0.4239630 0.1752496 -1.3352920 0.1975527 0.4933269 0.1960117 -2.4504138 35 O -2.3591804 0.6534288 -0.4599835 0.5902294 -1.4877355 -0.0576607 -0.4107760 -0.0111203 -1.5681809 36 O -2.3591804 -0.6534288 0.4599835 -0.5902294 -1.4877355 -0.0576607 0.4107760 -0.0111203 -1.5681809 37 O -1.6908244 0.4320545 0.4910671 0.3895773 -1.6485622 -0.2504682 0.4643340 -0.2024627 -2.0532791 38 O -2.3591804 -0.6534288 -0.4599835 -0.5902294 -1.4877355 0.0576607 -0.4107760 0.0111203 -1.5681809 39 O -1.6581701 -0.0000000 0.0182953 -0.0000000 -2.6601057 -0.0000000 -0.0164167 0.0000000 -1.2082955 40 O -1.5517863 -0.1920274 0.4239630 -0.1752496 -1.3352920 -0.1975527 0.4933269 -0.1960117 -2.4504138 41 O -2.3591804 -0.6534288 0.4599835 -0.5902294 -1.4877355 -0.0576607 0.4107760 -0.0111203 -1.5681809 42 O -1.2233237 -0.0000000 0.0061440 -0.0000000 -2.8296822 -0.0000000 -0.0477686 0.0000000 -1.1289260 43 O -2.3591804 0.6534288 -0.4599835 0.5902294 -1.4877355 -0.0576607 -0.4107760 -0.0111203 -1.5681809 44 O -1.5517863 0.1920274 -0.4239630 0.1752496 -1.3352920 -0.1975527 -0.4933269 -0.1960117 -2.4504138 45 O -1.2233237 -0.0000000 0.0061440 -0.0000000 -2.8296822 -0.0000000 -0.0477686 0.0000000 -1.1289260 46 O -1.5517863 -0.1920274 -0.4239630 -0.1752496 -1.3352920 0.1975527 -0.4933269 0.1960117 -2.4504138 47 O -2.3591804 -0.6534288 -0.4599835 -0.5902294 -1.4877355 0.0576607 -0.4107760 0.0111203 -1.5681809 48 O -1.5517863 -0.1920274 0.4239630 -0.1752496 -1.3352920 -0.1975527 0.4933269 -0.1960117 -2.4504138 49 O -1.6908244 0.4320545 0.4910671 0.3895773 -1.6485622 -0.2504682 0.4643340 -0.2024627 -2.0532791 50 O -1.6908244 0.4320545 -0.4910671 0.3895773 -1.6485622 0.2504682 -0.4643340 0.2024627 -2.0532791 51 O -1.2233237 -0.0000000 -0.0061440 -0.0000000 -2.8296822 -0.0000000 0.0477686 0.0000000 -1.1289260 52 O -1.5517863 0.1920274 0.4239630 0.1752496 -1.3352920 0.1975527 0.4933269 0.1960117 -2.4504138 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3177 Number of blocks in projector: 3177 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: 712 Use submatrix version of eigh solver. (1) Block: 500 / 712 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 712 / 712 (1) 200 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 640 / 640 (1) 134 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 640 / 640 (1) 132 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 395 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 395 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 395 Use standard eigh solver. Tree of FC basis block matrices: - (3177, 3117), data: False |-- (395, 387), data: True |-- (395, 387), data: True |-- (395, 387), data: True |-- (640, 630), data: False |-- (640, 8), data: (640, 18) @ (18, 8) |-- (140, 132), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (640, 630), data: False |-- (640, 6), data: (640, 16) @ (16, 6) |-- (140, 134), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (712, 696), data: False |-- (712, 12), data: (712, 28) @ (28, 12) |-- (212, 200), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 800 - Time: 0.832 Solver_block: 200 / 800 - Time: 0.762 Solver_block: 300 / 800 - Time: 0.764 Solver_block: 400 / 800 - Time: 0.759 Solver_block: 500 / 800 - Time: 0.763 Solver_block: 600 / 800 - Time: 0.761 Solver_block: 700 / 800 - Time: 0.758 Solver_block: 800 / 800 - Time: 0.759 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.284 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3177 Number of blocks in projector: 3177 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: 712 Use submatrix version of eigh solver. (1) Block: 500 / 712 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 712 / 712 (1) 200 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 640 / 640 (1) 134 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 640 Use submatrix version of eigh solver. (1) Block: 500 / 640 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 640 / 640 (1) 132 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 395 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 395 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 395 Use standard eigh solver. Tree of FC basis block matrices: - (3177, 3117), data: False |-- (395, 387), data: True |-- (395, 387), data: True |-- (395, 387), data: True |-- (640, 630), data: False |-- (640, 8), data: (640, 18) @ (18, 8) |-- (140, 132), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (640, 630), data: False |-- (640, 6), data: (640, 16) @ (16, 6) |-- (140, 134), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (712, 696), data: False |-- (712, 12), data: (712, 28) @ (28, 12) |-- (212, 200), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:00:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:00:57]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.206290660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.207207270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.079461410000000 Atomic positions (fractional): 1 Ba 0.38791938285246 0.25000000000000 0.91677544615556 137.327 2 Ba 0.61208061714754 0.75000000000000 0.08322455384444 137.327 3 Ba 0.88791938285246 0.25000000000000 0.58322455384444 137.327 4 Ba 0.11208061714754 0.75000000000000 0.41677544615556 137.327 5 Si 0.07250367217811 0.56570124050797 0.81056704216016 28.085 6 Si 0.07250367217811 0.93429875949203 0.81056704216016 28.085 7 Si 0.92749632782189 0.06570124050797 0.18943295783983 28.085 8 Si 0.92749632782189 0.43429875949203 0.18943295783983 28.085 9 Si 0.42749632782189 0.43429875949203 0.31056704216017 28.085 10 Si 0.42749632782189 0.06570124050797 0.31056704216017 28.085 11 Si 0.57250367217811 0.56570124050797 0.68943295783984 28.085 12 Si 0.57250367217811 0.93429875949203 0.68943295783984 28.085 13 B 0.77114706120317 0.08609016117405 0.91115629489790 10.811 14 B 0.72885293879683 0.91390983882595 0.41115629489790 10.811 15 B 0.22885293879683 0.58609016117405 0.08884370510210 10.811 16 B 0.27114706120317 0.08609016117405 0.58884370510210 10.811 17 B 0.72885293879683 0.58609016117405 0.41115629489790 10.811 18 B 0.27114706120317 0.41390983882595 0.58884370510210 10.811 19 B 0.22885293879683 0.91390983882595 0.08884370510210 10.811 20 B 0.77114706120317 0.41390983882595 0.91115629489790 10.811 21 O 0.20950700377234 0.25000000000000 0.61840880906467 15.999 22 O 0.29049299622766 0.75000000000000 0.11840880906467 15.999 23 O 0.35440527710108 0.03034892767385 0.14611324650545 15.999 24 O 0.78178653934200 0.04471634543538 0.06924158469605 15.999 25 O 0.07209939711155 0.93424639318180 0.16354269417859 15.999 26 O 0.85440527710108 0.03034892767385 0.35388675349455 15.999 27 O 0.50348887398158 0.25000000000000 0.31220284598362 15.999 28 O 0.64559472289892 0.96965107232615 0.85388675349455 15.999 29 O 0.64559472289892 0.53034892767385 0.85388675349455 15.999 30 O 0.92790060288845 0.06575360681820 0.83645730582141 15.999 31 O 0.14559472289892 0.96965107232615 0.64611324650545 15.999 32 O 0.78178653934200 0.45528365456462 0.06924158469605 15.999 33 O 0.79049299622766 0.75000000000000 0.38159119093533 15.999 34 O 0.71821346065800 0.54471634543538 0.56924158469605 15.999 35 O 0.57209939711155 0.93424639318180 0.33645730582141 15.999 36 O 0.07209939711155 0.56575360681820 0.16354269417859 15.999 37 O 0.85440527710108 0.46965107232615 0.35388675349455 15.999 38 O 0.42790060288845 0.43424639318180 0.66354269417859 15.999 39 O 0.70950700377234 0.25000000000000 0.88159119093533 15.999 40 O 0.71821346065800 0.95528365456462 0.56924158469605 15.999 41 O 0.92790060288845 0.43424639318180 0.83645730582141 15.999 42 O 0.00348887398158 0.25000000000000 0.18779715401638 15.999 43 O 0.42790060288845 0.06575360681820 0.66354269417859 15.999 44 O 0.21821346065801 0.54471634543538 0.93075841530395 15.999 45 O 0.99651112601842 0.75000000000000 0.81220284598362 15.999 46 O 0.21821346065801 0.95528365456462 0.93075841530395 15.999 47 O 0.57209939711155 0.56575360681820 0.33645730582141 15.999 48 O 0.28178653934199 0.04471634543538 0.43075841530395 15.999 49 O 0.14559472289892 0.53034892767385 0.64611324650545 15.999 50 O 0.35440527710108 0.46965107232615 0.14611324650545 15.999 51 O 0.49651112601842 0.75000000000000 0.68779715401638 15.999 52 O 0.28178653934199 0.45528365456462 0.43075841530395 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.412581320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.207207270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.079461410000000 Atomic positions (fractional): 1 Ba 0.19395969142623 0.25000000000000 0.91677544615556 137.327 > 1 2 Ba 0.69395969142623 0.25000000000000 0.91677544615556 137.327 > 1 3 Ba 0.30604030857377 0.75000000000000 0.08322455384444 137.327 > 3 4 Ba 0.80604030857377 0.75000000000000 0.08322455384444 137.327 > 3 5 Ba 0.44395969142623 0.25000000000000 0.58322455384444 137.327 > 5 6 Ba 0.94395969142623 0.25000000000000 0.58322455384444 137.327 > 5 7 Ba 0.05604030857377 0.75000000000000 0.41677544615556 137.327 > 7 8 Ba 0.55604030857377 0.75000000000000 0.41677544615556 137.327 > 7 9 Si 0.03625183608906 0.56570124050797 0.81056704216016 28.085 > 9 10 Si 0.53625183608906 0.56570124050797 0.81056704216016 28.085 > 9 11 Si 0.03625183608906 0.93429875949203 0.81056704216016 28.085 > 11 12 Si 0.53625183608906 0.93429875949203 0.81056704216016 28.085 > 11 13 Si 0.46374816391094 0.06570124050797 0.18943295783983 28.085 > 13 14 Si 0.96374816391094 0.06570124050797 0.18943295783983 28.085 > 13 15 Si 0.46374816391094 0.43429875949203 0.18943295783983 28.085 > 15 16 Si 0.96374816391094 0.43429875949203 0.18943295783983 28.085 > 15 17 Si 0.21374816391094 0.43429875949203 0.31056704216017 28.085 > 17 18 Si 0.71374816391094 0.43429875949203 0.31056704216017 28.085 > 17 19 Si 0.21374816391094 0.06570124050797 0.31056704216017 28.085 > 19 20 Si 0.71374816391094 0.06570124050797 0.31056704216017 28.085 > 19 21 Si 0.28625183608906 0.56570124050797 0.68943295783984 28.085 > 21 22 Si 0.78625183608906 0.56570124050797 0.68943295783984 28.085 > 21 23 Si 0.28625183608906 0.93429875949203 0.68943295783984 28.085 > 23 24 Si 0.78625183608906 0.93429875949203 0.68943295783984 28.085 > 23 25 B 0.38557353060159 0.08609016117405 0.91115629489790 10.811 > 25 26 B 0.88557353060159 0.08609016117405 0.91115629489790 10.811 > 25 27 B 0.36442646939841 0.91390983882595 0.41115629489790 10.811 > 27 28 B 0.86442646939841 0.91390983882595 0.41115629489790 10.811 > 27 29 B 0.11442646939841 0.58609016117405 0.08884370510210 10.811 > 29 30 B 0.61442646939841 0.58609016117405 0.08884370510210 10.811 > 29 31 B 0.13557353060159 0.08609016117405 0.58884370510210 10.811 > 31 32 B 0.63557353060159 0.08609016117405 0.58884370510210 10.811 > 31 33 B 0.36442646939841 0.58609016117405 0.41115629489790 10.811 > 33 34 B 0.86442646939841 0.58609016117405 0.41115629489790 10.811 > 33 35 B 0.13557353060159 0.41390983882595 0.58884370510210 10.811 > 35 36 B 0.63557353060159 0.41390983882595 0.58884370510210 10.811 > 35 37 B 0.11442646939841 0.91390983882595 0.08884370510210 10.811 > 37 38 B 0.61442646939841 0.91390983882595 0.08884370510210 10.811 > 37 39 B 0.38557353060159 0.41390983882595 0.91115629489790 10.811 > 39 40 B 0.88557353060159 0.41390983882595 0.91115629489790 10.811 > 39 41 O 0.10475350188617 0.25000000000000 0.61840880906467 15.999 > 41 42 O 0.60475350188617 0.25000000000000 0.61840880906467 15.999 > 41 43 O 0.14524649811383 0.75000000000000 0.11840880906467 15.999 > 43 44 O 0.64524649811383 0.75000000000000 0.11840880906467 15.999 > 43 45 O 0.17720263855054 0.03034892767385 0.14611324650545 15.999 > 45 46 O 0.67720263855054 0.03034892767385 0.14611324650545 15.999 > 45 47 O 0.39089326967100 0.04471634543538 0.06924158469605 15.999 > 47 48 O 0.89089326967100 0.04471634543538 0.06924158469605 15.999 > 47 49 O 0.03604969855578 0.93424639318180 0.16354269417859 15.999 > 49 50 O 0.53604969855578 0.93424639318180 0.16354269417859 15.999 > 49 51 O 0.42720263855054 0.03034892767385 0.35388675349455 15.999 > 51 52 O 0.92720263855054 0.03034892767385 0.35388675349455 15.999 > 51 53 O 0.25174443699079 0.25000000000000 0.31220284598362 15.999 > 53 54 O 0.75174443699079 0.25000000000000 0.31220284598362 15.999 > 53 55 O 0.32279736144946 0.96965107232615 0.85388675349455 15.999 > 55 56 O 0.82279736144946 0.96965107232615 0.85388675349455 15.999 > 55 57 O 0.32279736144946 0.53034892767385 0.85388675349455 15.999 > 57 58 O 0.82279736144946 0.53034892767385 0.85388675349455 15.999 > 57 59 O 0.46395030144422 0.06575360681820 0.83645730582141 15.999 > 59 60 O 0.96395030144422 0.06575360681820 0.83645730582141 15.999 > 59 61 O 0.07279736144946 0.96965107232615 0.64611324650545 15.999 > 61 62 O 0.57279736144946 0.96965107232615 0.64611324650545 15.999 > 61 63 O 0.39089326967100 0.45528365456462 0.06924158469605 15.999 > 63 64 O 0.89089326967100 0.45528365456462 0.06924158469605 15.999 > 63 65 O 0.39524649811383 0.75000000000000 0.38159119093533 15.999 > 65 66 O 0.89524649811383 0.75000000000000 0.38159119093533 15.999 > 65 67 O 0.35910673032900 0.54471634543538 0.56924158469605 15.999 > 67 68 O 0.85910673032900 0.54471634543538 0.56924158469605 15.999 > 67 69 O 0.28604969855578 0.93424639318180 0.33645730582141 15.999 > 69 70 O 0.78604969855578 0.93424639318180 0.33645730582141 15.999 > 69 71 O 0.03604969855578 0.56575360681820 0.16354269417859 15.999 > 71 72 O 0.53604969855578 0.56575360681820 0.16354269417859 15.999 > 71 73 O 0.42720263855054 0.46965107232615 0.35388675349455 15.999 > 73 74 O 0.92720263855054 0.46965107232615 0.35388675349455 15.999 > 73 75 O 0.21395030144422 0.43424639318180 0.66354269417859 15.999 > 75 76 O 0.71395030144422 0.43424639318180 0.66354269417859 15.999 > 75 77 O 0.35475350188617 0.25000000000000 0.88159119093533 15.999 > 77 78 O 0.85475350188617 0.25000000000000 0.88159119093533 15.999 > 77 79 O 0.35910673032900 0.95528365456462 0.56924158469605 15.999 > 79 80 O 0.85910673032900 0.95528365456462 0.56924158469605 15.999 > 79 81 O 0.46395030144422 0.43424639318180 0.83645730582141 15.999 > 81 82 O 0.96395030144422 0.43424639318180 0.83645730582141 15.999 > 81 83 O 0.00174443699079 0.25000000000000 0.18779715401638 15.999 > 83 84 O 0.50174443699079 0.25000000000000 0.18779715401638 15.999 > 83 85 O 0.21395030144422 0.06575360681820 0.66354269417859 15.999 > 85 86 O 0.71395030144422 0.06575360681820 0.66354269417859 15.999 > 85 87 O 0.10910673032900 0.54471634543538 0.93075841530395 15.999 > 87 88 O 0.60910673032900 0.54471634543538 0.93075841530395 15.999 > 87 89 O 0.49825556300921 0.75000000000000 0.81220284598362 15.999 > 89 90 O 0.99825556300921 0.75000000000000 0.81220284598362 15.999 > 89 91 O 0.10910673032900 0.95528365456462 0.93075841530395 15.999 > 91 92 O 0.60910673032900 0.95528365456462 0.93075841530395 15.999 > 91 93 O 0.28604969855578 0.56575360681820 0.33645730582141 15.999 > 93 94 O 0.78604969855578 0.56575360681820 0.33645730582141 15.999 > 93 95 O 0.14089326967100 0.04471634543538 0.43075841530395 15.999 > 95 96 O 0.64089326967100 0.04471634543538 0.43075841530395 15.999 > 95 97 O 0.07279736144946 0.53034892767385 0.64611324650545 15.999 > 97 98 O 0.57279736144946 0.53034892767385 0.64611324650545 15.999 > 97 99 O 0.17720263855054 0.46965107232615 0.14611324650545 15.999 > 99 100 O 0.67720263855054 0.46965107232615 0.14611324650545 15.999 > 99 101 O 0.24825556300921 0.75000000000000 0.68779715401638 15.999 > 101 102 O 0.74825556300921 0.75000000000000 0.68779715401638 15.999 > 101 103 O 0.14089326967100 0.45528365456462 0.43075841530395 15.999 > 103 104 O 0.64089326967100 0.45528365456462 0.43075841530395 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8681742 0.0000000 0.0000000 0.0000000 2.9083397 0.0000000 0.0000000 0.0000000 2.9039587 -------------------------- Born effective charges -------------------------- 1 Ba 2.5422383 -0.0000000 -0.1888854 -0.0000000 2.8336917 -0.0000000 -0.1426181 0.0000000 2.7423513 2 Ba 2.5422383 -0.0000000 -0.1888854 -0.0000000 2.8336917 -0.0000000 -0.1426181 0.0000000 2.7423513 3 Ba 2.5422383 -0.0000000 0.1888854 -0.0000000 2.8336917 -0.0000000 0.1426181 0.0000000 2.7423513 4 Ba 2.5422383 -0.0000000 0.1888854 -0.0000000 2.8336917 -0.0000000 0.1426181 0.0000000 2.7423513 5 Si 3.1522429 0.3201223 -0.0866422 -0.0789439 3.2785547 0.0995987 0.1295386 0.0546630 3.2681824 6 Si 3.1522429 -0.3201223 -0.0866422 0.0789439 3.2785547 -0.0995987 0.1295386 -0.0546630 3.2681824 7 Si 3.1522429 -0.3201223 -0.0866422 0.0789439 3.2785547 -0.0995987 0.1295386 -0.0546630 3.2681824 8 Si 3.1522429 0.3201223 -0.0866422 -0.0789439 3.2785547 0.0995987 0.1295386 0.0546630 3.2681824 9 Si 3.1522429 0.3201223 0.0866422 -0.0789439 3.2785547 -0.0995987 -0.1295386 -0.0546630 3.2681824 10 Si 3.1522429 -0.3201223 0.0866422 0.0789439 3.2785547 0.0995987 -0.1295386 0.0546630 3.2681824 11 Si 3.1522429 0.3201223 0.0866422 -0.0789439 3.2785547 -0.0995987 -0.1295386 -0.0546630 3.2681824 12 Si 3.1522429 -0.3201223 0.0866422 0.0789439 3.2785547 0.0995987 -0.1295386 0.0546630 3.2681824 13 B 2.6191759 -0.0029197 0.0510228 -0.1719910 2.5210831 -0.0863214 0.0526002 -0.0400541 2.6011265 14 B 2.6191759 -0.0029197 -0.0510228 -0.1719910 2.5210831 0.0863214 -0.0526002 0.0400541 2.6011265 15 B 2.6191759 0.0029197 0.0510228 0.1719910 2.5210831 0.0863214 0.0526002 0.0400541 2.6011265 16 B 2.6191759 -0.0029197 -0.0510228 -0.1719910 2.5210831 0.0863214 -0.0526002 0.0400541 2.6011265 17 B 2.6191759 0.0029197 -0.0510228 0.1719910 2.5210831 -0.0863214 -0.0526002 -0.0400541 2.6011265 18 B 2.6191759 0.0029197 -0.0510228 0.1719910 2.5210831 -0.0863214 -0.0526002 -0.0400541 2.6011265 19 B 2.6191759 -0.0029197 0.0510228 -0.1719910 2.5210831 -0.0863214 0.0526002 -0.0400541 2.6011265 20 B 2.6191759 0.0029197 0.0510228 0.1719910 2.5210831 0.0863214 0.0526002 0.0400541 2.6011265 21 O -1.6581701 -0.0000000 -0.0182953 -0.0000000 -2.6601057 -0.0000000 0.0164167 0.0000000 -1.2082955 22 O -1.6581701 -0.0000000 0.0182953 -0.0000000 -2.6601057 -0.0000000 -0.0164167 0.0000000 -1.2082955 23 O -1.6908244 -0.4320545 -0.4910671 -0.3895773 -1.6485622 -0.2504682 -0.4643340 -0.2024627 -2.0532791 24 O -1.5517863 -0.1920274 -0.4239630 -0.1752496 -1.3352920 0.1975527 -0.4933269 0.1960117 -2.4504138 25 O -2.3591804 0.6534288 0.4599835 0.5902294 -1.4877355 0.0576607 0.4107760 0.0111203 -1.5681809 26 O -1.6908244 -0.4320545 0.4910671 -0.3895773 -1.6485622 0.2504682 0.4643340 0.2024627 -2.0532791 27 O -1.2233237 -0.0000000 -0.0061440 -0.0000000 -2.8296822 -0.0000000 0.0477686 0.0000000 -1.1289260 28 O -1.6908244 -0.4320545 -0.4910671 -0.3895773 -1.6485622 -0.2504682 -0.4643340 -0.2024627 -2.0532791 29 O -1.6908244 0.4320545 -0.4910671 0.3895773 -1.6485622 0.2504682 -0.4643340 0.2024627 -2.0532791 30 O -2.3591804 0.6534288 0.4599835 0.5902294 -1.4877355 0.0576607 0.4107760 0.0111203 -1.5681809 31 O -1.6908244 -0.4320545 0.4910671 -0.3895773 -1.6485622 0.2504682 0.4643340 0.2024627 -2.0532791 32 O -1.5517863 0.1920274 -0.4239630 0.1752496 -1.3352920 -0.1975527 -0.4933269 -0.1960117 -2.4504138 33 O -1.6581701 -0.0000000 -0.0182953 -0.0000000 -2.6601057 -0.0000000 0.0164167 0.0000000 -1.2082955 34 O -1.5517863 0.1920274 0.4239630 0.1752496 -1.3352920 0.1975527 0.4933269 0.1960117 -2.4504138 35 O -2.3591804 0.6534288 -0.4599835 0.5902294 -1.4877355 -0.0576607 -0.4107760 -0.0111203 -1.5681809 36 O -2.3591804 -0.6534288 0.4599835 -0.5902294 -1.4877355 -0.0576607 0.4107760 -0.0111203 -1.5681809 37 O -1.6908244 0.4320545 0.4910671 0.3895773 -1.6485622 -0.2504682 0.4643340 -0.2024627 -2.0532791 38 O -2.3591804 -0.6534288 -0.4599835 -0.5902294 -1.4877355 0.0576607 -0.4107760 0.0111203 -1.5681809 39 O -1.6581701 -0.0000000 0.0182953 -0.0000000 -2.6601057 -0.0000000 -0.0164167 0.0000000 -1.2082955 40 O -1.5517863 -0.1920274 0.4239630 -0.1752496 -1.3352920 -0.1975527 0.4933269 -0.1960117 -2.4504138 41 O -2.3591804 -0.6534288 0.4599835 -0.5902294 -1.4877355 -0.0576607 0.4107760 -0.0111203 -1.5681809 42 O -1.2233237 -0.0000000 0.0061440 -0.0000000 -2.8296822 -0.0000000 -0.0477686 0.0000000 -1.1289260 43 O -2.3591804 0.6534288 -0.4599835 0.5902294 -1.4877355 -0.0576607 -0.4107760 -0.0111203 -1.5681809 44 O -1.5517863 0.1920274 -0.4239630 0.1752496 -1.3352920 -0.1975527 -0.4933269 -0.1960117 -2.4504138 45 O -1.2233237 -0.0000000 0.0061440 -0.0000000 -2.8296822 -0.0000000 -0.0477686 0.0000000 -1.1289260 46 O -1.5517863 -0.1920274 -0.4239630 -0.1752496 -1.3352920 0.1975527 -0.4933269 0.1960117 -2.4504138 47 O -2.3591804 -0.6534288 -0.4599835 -0.5902294 -1.4877355 0.0576607 -0.4107760 0.0111203 -1.5681809 48 O -1.5517863 -0.1920274 0.4239630 -0.1752496 -1.3352920 -0.1975527 0.4933269 -0.1960117 -2.4504138 49 O -1.6908244 0.4320545 0.4910671 0.3895773 -1.6485622 -0.2504682 0.4643340 -0.2024627 -2.0532791 50 O -1.6908244 0.4320545 -0.4910671 0.3895773 -1.6485622 0.2504682 -0.4643340 0.2024627 -2.0532791 51 O -1.2233237 -0.0000000 -0.0061440 -0.0000000 -2.8296822 -0.0000000 0.0477686 0.0000000 -1.1289260 52 O -1.5517863 0.1920274 0.4239630 0.1752496 -1.3352920 0.1975527 0.4933269 0.1960117 -2.4504138 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 47, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (yzy) -0.00000003 (yzy) -0.00000003 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) 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 12:01:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:01:32]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.206290660000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.207207270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.079461410000000 Atomic positions (fractional): 1 Ba 0.38791938285246 0.25000000000000 0.91677544615556 137.327 2 Ba 0.61208061714754 0.75000000000000 0.08322455384444 137.327 3 Ba 0.88791938285246 0.25000000000000 0.58322455384444 137.327 4 Ba 0.11208061714754 0.75000000000000 0.41677544615556 137.327 5 Si 0.07250367217811 0.56570124050797 0.81056704216016 28.085 6 Si 0.07250367217811 0.93429875949203 0.81056704216016 28.085 7 Si 0.92749632782189 0.06570124050797 0.18943295783983 28.085 8 Si 0.92749632782189 0.43429875949203 0.18943295783983 28.085 9 Si 0.42749632782189 0.43429875949203 0.31056704216017 28.085 10 Si 0.42749632782189 0.06570124050797 0.31056704216017 28.085 11 Si 0.57250367217811 0.56570124050797 0.68943295783984 28.085 12 Si 0.57250367217811 0.93429875949203 0.68943295783984 28.085 13 B 0.77114706120317 0.08609016117405 0.91115629489790 10.811 14 B 0.72885293879683 0.91390983882595 0.41115629489790 10.811 15 B 0.22885293879683 0.58609016117405 0.08884370510210 10.811 16 B 0.27114706120317 0.08609016117405 0.58884370510210 10.811 17 B 0.72885293879683 0.58609016117405 0.41115629489790 10.811 18 B 0.27114706120317 0.41390983882595 0.58884370510210 10.811 19 B 0.22885293879683 0.91390983882595 0.08884370510210 10.811 20 B 0.77114706120317 0.41390983882595 0.91115629489790 10.811 21 O 0.20950700377234 0.25000000000000 0.61840880906467 15.999 22 O 0.29049299622766 0.75000000000000 0.11840880906467 15.999 23 O 0.35440527710108 0.03034892767385 0.14611324650545 15.999 24 O 0.78178653934200 0.04471634543538 0.06924158469605 15.999 25 O 0.07209939711155 0.93424639318180 0.16354269417859 15.999 26 O 0.85440527710108 0.03034892767385 0.35388675349455 15.999 27 O 0.50348887398158 0.25000000000000 0.31220284598362 15.999 28 O 0.64559472289892 0.96965107232615 0.85388675349455 15.999 29 O 0.64559472289892 0.53034892767385 0.85388675349455 15.999 30 O 0.92790060288845 0.06575360681820 0.83645730582141 15.999 31 O 0.14559472289892 0.96965107232615 0.64611324650545 15.999 32 O 0.78178653934200 0.45528365456462 0.06924158469605 15.999 33 O 0.79049299622766 0.75000000000000 0.38159119093533 15.999 34 O 0.71821346065800 0.54471634543538 0.56924158469605 15.999 35 O 0.57209939711155 0.93424639318180 0.33645730582141 15.999 36 O 0.07209939711155 0.56575360681820 0.16354269417859 15.999 37 O 0.85440527710108 0.46965107232615 0.35388675349455 15.999 38 O 0.42790060288845 0.43424639318180 0.66354269417859 15.999 39 O 0.70950700377234 0.25000000000000 0.88159119093533 15.999 40 O 0.71821346065800 0.95528365456462 0.56924158469605 15.999 41 O 0.92790060288845 0.43424639318180 0.83645730582141 15.999 42 O 0.00348887398158 0.25000000000000 0.18779715401638 15.999 43 O 0.42790060288845 0.06575360681820 0.66354269417859 15.999 44 O 0.21821346065801 0.54471634543538 0.93075841530395 15.999 45 O 0.99651112601842 0.75000000000000 0.81220284598362 15.999 46 O 0.21821346065801 0.95528365456462 0.93075841530395 15.999 47 O 0.57209939711155 0.56575360681820 0.33645730582141 15.999 48 O 0.28178653934199 0.04471634543538 0.43075841530395 15.999 49 O 0.14559472289892 0.53034892767385 0.64611324650545 15.999 50 O 0.35440527710108 0.46965107232615 0.14611324650545 15.999 51 O 0.49651112601842 0.75000000000000 0.68779715401638 15.999 52 O 0.28178653934199 0.45528365456462 0.43075841530395 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.412581320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.207207270000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.079461410000000 Atomic positions (fractional): 1 Ba 0.19395969142623 0.25000000000000 0.91677544615556 137.327 > 1 2 Ba 0.69395969142623 0.25000000000000 0.91677544615556 137.327 > 1 3 Ba 0.30604030857377 0.75000000000000 0.08322455384444 137.327 > 3 4 Ba 0.80604030857377 0.75000000000000 0.08322455384444 137.327 > 3 5 Ba 0.44395969142623 0.25000000000000 0.58322455384444 137.327 > 5 6 Ba 0.94395969142623 0.25000000000000 0.58322455384444 137.327 > 5 7 Ba 0.05604030857377 0.75000000000000 0.41677544615556 137.327 > 7 8 Ba 0.55604030857377 0.75000000000000 0.41677544615556 137.327 > 7 9 Si 0.03625183608906 0.56570124050797 0.81056704216016 28.085 > 9 10 Si 0.53625183608906 0.56570124050797 0.81056704216016 28.085 > 9 11 Si 0.03625183608906 0.93429875949203 0.81056704216016 28.085 > 11 12 Si 0.53625183608906 0.93429875949203 0.81056704216016 28.085 > 11 13 Si 0.46374816391094 0.06570124050797 0.18943295783983 28.085 > 13 14 Si 0.96374816391094 0.06570124050797 0.18943295783983 28.085 > 13 15 Si 0.46374816391094 0.43429875949203 0.18943295783983 28.085 > 15 16 Si 0.96374816391094 0.43429875949203 0.18943295783983 28.085 > 15 17 Si 0.21374816391094 0.43429875949203 0.31056704216017 28.085 > 17 18 Si 0.71374816391094 0.43429875949203 0.31056704216017 28.085 > 17 19 Si 0.21374816391094 0.06570124050797 0.31056704216017 28.085 > 19 20 Si 0.71374816391094 0.06570124050797 0.31056704216017 28.085 > 19 21 Si 0.28625183608906 0.56570124050797 0.68943295783984 28.085 > 21 22 Si 0.78625183608906 0.56570124050797 0.68943295783984 28.085 > 21 23 Si 0.28625183608906 0.93429875949203 0.68943295783984 28.085 > 23 24 Si 0.78625183608906 0.93429875949203 0.68943295783984 28.085 > 23 25 B 0.38557353060159 0.08609016117405 0.91115629489790 10.811 > 25 26 B 0.88557353060159 0.08609016117405 0.91115629489790 10.811 > 25 27 B 0.36442646939841 0.91390983882595 0.41115629489790 10.811 > 27 28 B 0.86442646939841 0.91390983882595 0.41115629489790 10.811 > 27 29 B 0.11442646939841 0.58609016117405 0.08884370510210 10.811 > 29 30 B 0.61442646939841 0.58609016117405 0.08884370510210 10.811 > 29 31 B 0.13557353060159 0.08609016117405 0.58884370510210 10.811 > 31 32 B 0.63557353060159 0.08609016117405 0.58884370510210 10.811 > 31 33 B 0.36442646939841 0.58609016117405 0.41115629489790 10.811 > 33 34 B 0.86442646939841 0.58609016117405 0.41115629489790 10.811 > 33 35 B 0.13557353060159 0.41390983882595 0.58884370510210 10.811 > 35 36 B 0.63557353060159 0.41390983882595 0.58884370510210 10.811 > 35 37 B 0.11442646939841 0.91390983882595 0.08884370510210 10.811 > 37 38 B 0.61442646939841 0.91390983882595 0.08884370510210 10.811 > 37 39 B 0.38557353060159 0.41390983882595 0.91115629489790 10.811 > 39 40 B 0.88557353060159 0.41390983882595 0.91115629489790 10.811 > 39 41 O 0.10475350188617 0.25000000000000 0.61840880906467 15.999 > 41 42 O 0.60475350188617 0.25000000000000 0.61840880906467 15.999 > 41 43 O 0.14524649811383 0.75000000000000 0.11840880906467 15.999 > 43 44 O 0.64524649811383 0.75000000000000 0.11840880906467 15.999 > 43 45 O 0.17720263855054 0.03034892767385 0.14611324650545 15.999 > 45 46 O 0.67720263855054 0.03034892767385 0.14611324650545 15.999 > 45 47 O 0.39089326967100 0.04471634543538 0.06924158469605 15.999 > 47 48 O 0.89089326967100 0.04471634543538 0.06924158469605 15.999 > 47 49 O 0.03604969855578 0.93424639318180 0.16354269417859 15.999 > 49 50 O 0.53604969855578 0.93424639318180 0.16354269417859 15.999 > 49 51 O 0.42720263855054 0.03034892767385 0.35388675349455 15.999 > 51 52 O 0.92720263855054 0.03034892767385 0.35388675349455 15.999 > 51 53 O 0.25174443699079 0.25000000000000 0.31220284598362 15.999 > 53 54 O 0.75174443699079 0.25000000000000 0.31220284598362 15.999 > 53 55 O 0.32279736144946 0.96965107232615 0.85388675349455 15.999 > 55 56 O 0.82279736144946 0.96965107232615 0.85388675349455 15.999 > 55 57 O 0.32279736144946 0.53034892767385 0.85388675349455 15.999 > 57 58 O 0.82279736144946 0.53034892767385 0.85388675349455 15.999 > 57 59 O 0.46395030144422 0.06575360681820 0.83645730582141 15.999 > 59 60 O 0.96395030144422 0.06575360681820 0.83645730582141 15.999 > 59 61 O 0.07279736144946 0.96965107232615 0.64611324650545 15.999 > 61 62 O 0.57279736144946 0.96965107232615 0.64611324650545 15.999 > 61 63 O 0.39089326967100 0.45528365456462 0.06924158469605 15.999 > 63 64 O 0.89089326967100 0.45528365456462 0.06924158469605 15.999 > 63 65 O 0.39524649811383 0.75000000000000 0.38159119093533 15.999 > 65 66 O 0.89524649811383 0.75000000000000 0.38159119093533 15.999 > 65 67 O 0.35910673032900 0.54471634543538 0.56924158469605 15.999 > 67 68 O 0.85910673032900 0.54471634543538 0.56924158469605 15.999 > 67 69 O 0.28604969855578 0.93424639318180 0.33645730582141 15.999 > 69 70 O 0.78604969855578 0.93424639318180 0.33645730582141 15.999 > 69 71 O 0.03604969855578 0.56575360681820 0.16354269417859 15.999 > 71 72 O 0.53604969855578 0.56575360681820 0.16354269417859 15.999 > 71 73 O 0.42720263855054 0.46965107232615 0.35388675349455 15.999 > 73 74 O 0.92720263855054 0.46965107232615 0.35388675349455 15.999 > 73 75 O 0.21395030144422 0.43424639318180 0.66354269417859 15.999 > 75 76 O 0.71395030144422 0.43424639318180 0.66354269417859 15.999 > 75 77 O 0.35475350188617 0.25000000000000 0.88159119093533 15.999 > 77 78 O 0.85475350188617 0.25000000000000 0.88159119093533 15.999 > 77 79 O 0.35910673032900 0.95528365456462 0.56924158469605 15.999 > 79 80 O 0.85910673032900 0.95528365456462 0.56924158469605 15.999 > 79 81 O 0.46395030144422 0.43424639318180 0.83645730582141 15.999 > 81 82 O 0.96395030144422 0.43424639318180 0.83645730582141 15.999 > 81 83 O 0.00174443699079 0.25000000000000 0.18779715401638 15.999 > 83 84 O 0.50174443699079 0.25000000000000 0.18779715401638 15.999 > 83 85 O 0.21395030144422 0.06575360681820 0.66354269417859 15.999 > 85 86 O 0.71395030144422 0.06575360681820 0.66354269417859 15.999 > 85 87 O 0.10910673032900 0.54471634543538 0.93075841530395 15.999 > 87 88 O 0.60910673032900 0.54471634543538 0.93075841530395 15.999 > 87 89 O 0.49825556300921 0.75000000000000 0.81220284598362 15.999 > 89 90 O 0.99825556300921 0.75000000000000 0.81220284598362 15.999 > 89 91 O 0.10910673032900 0.95528365456462 0.93075841530395 15.999 > 91 92 O 0.60910673032900 0.95528365456462 0.93075841530395 15.999 > 91 93 O 0.28604969855578 0.56575360681820 0.33645730582141 15.999 > 93 94 O 0.78604969855578 0.56575360681820 0.33645730582141 15.999 > 93 95 O 0.14089326967100 0.04471634543538 0.43075841530395 15.999 > 95 96 O 0.64089326967100 0.04471634543538 0.43075841530395 15.999 > 95 97 O 0.07279736144946 0.53034892767385 0.64611324650545 15.999 > 97 98 O 0.57279736144946 0.53034892767385 0.64611324650545 15.999 > 97 99 O 0.17720263855054 0.46965107232615 0.14611324650545 15.999 > 99 100 O 0.67720263855054 0.46965107232615 0.14611324650545 15.999 > 99 101 O 0.24825556300921 0.75000000000000 0.68779715401638 15.999 > 101 102 O 0.74825556300921 0.75000000000000 0.68779715401638 15.999 > 101 103 O 0.14089326967100 0.45528365456462 0.43075841530395 15.999 > 103 104 O 0.64089326967100 0.45528365456462 0.43075841530395 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8681742 0.0000000 0.0000000 0.0000000 2.9083397 0.0000000 0.0000000 0.0000000 2.9039587 -------------------------- Born effective charges -------------------------- 1 Ba 2.5422383 -0.0000000 -0.1888854 -0.0000000 2.8336917 -0.0000000 -0.1426181 0.0000000 2.7423513 2 Ba 2.5422383 -0.0000000 -0.1888854 -0.0000000 2.8336917 -0.0000000 -0.1426181 0.0000000 2.7423513 3 Ba 2.5422383 -0.0000000 0.1888854 -0.0000000 2.8336917 -0.0000000 0.1426181 0.0000000 2.7423513 4 Ba 2.5422383 -0.0000000 0.1888854 -0.0000000 2.8336917 -0.0000000 0.1426181 0.0000000 2.7423513 5 Si 3.1522429 0.3201223 -0.0866422 -0.0789439 3.2785547 0.0995987 0.1295386 0.0546630 3.2681824 6 Si 3.1522429 -0.3201223 -0.0866422 0.0789439 3.2785547 -0.0995987 0.1295386 -0.0546630 3.2681824 7 Si 3.1522429 -0.3201223 -0.0866422 0.0789439 3.2785547 -0.0995987 0.1295386 -0.0546630 3.2681824 8 Si 3.1522429 0.3201223 -0.0866422 -0.0789439 3.2785547 0.0995987 0.1295386 0.0546630 3.2681824 9 Si 3.1522429 0.3201223 0.0866422 -0.0789439 3.2785547 -0.0995987 -0.1295386 -0.0546630 3.2681824 10 Si 3.1522429 -0.3201223 0.0866422 0.0789439 3.2785547 0.0995987 -0.1295386 0.0546630 3.2681824 11 Si 3.1522429 0.3201223 0.0866422 -0.0789439 3.2785547 -0.0995987 -0.1295386 -0.0546630 3.2681824 12 Si 3.1522429 -0.3201223 0.0866422 0.0789439 3.2785547 0.0995987 -0.1295386 0.0546630 3.2681824 13 B 2.6191759 -0.0029197 0.0510228 -0.1719910 2.5210831 -0.0863214 0.0526002 -0.0400541 2.6011265 14 B 2.6191759 -0.0029197 -0.0510228 -0.1719910 2.5210831 0.0863214 -0.0526002 0.0400541 2.6011265 15 B 2.6191759 0.0029197 0.0510228 0.1719910 2.5210831 0.0863214 0.0526002 0.0400541 2.6011265 16 B 2.6191759 -0.0029197 -0.0510228 -0.1719910 2.5210831 0.0863214 -0.0526002 0.0400541 2.6011265 17 B 2.6191759 0.0029197 -0.0510228 0.1719910 2.5210831 -0.0863214 -0.0526002 -0.0400541 2.6011265 18 B 2.6191759 0.0029197 -0.0510228 0.1719910 2.5210831 -0.0863214 -0.0526002 -0.0400541 2.6011265 19 B 2.6191759 -0.0029197 0.0510228 -0.1719910 2.5210831 -0.0863214 0.0526002 -0.0400541 2.6011265 20 B 2.6191759 0.0029197 0.0510228 0.1719910 2.5210831 0.0863214 0.0526002 0.0400541 2.6011265 21 O -1.6581701 -0.0000000 -0.0182953 -0.0000000 -2.6601057 -0.0000000 0.0164167 0.0000000 -1.2082955 22 O -1.6581701 -0.0000000 0.0182953 -0.0000000 -2.6601057 -0.0000000 -0.0164167 0.0000000 -1.2082955 23 O -1.6908244 -0.4320545 -0.4910671 -0.3895773 -1.6485622 -0.2504682 -0.4643340 -0.2024627 -2.0532791 24 O -1.5517863 -0.1920274 -0.4239630 -0.1752496 -1.3352920 0.1975527 -0.4933269 0.1960117 -2.4504138 25 O -2.3591804 0.6534288 0.4599835 0.5902294 -1.4877355 0.0576607 0.4107760 0.0111203 -1.5681809 26 O -1.6908244 -0.4320545 0.4910671 -0.3895773 -1.6485622 0.2504682 0.4643340 0.2024627 -2.0532791 27 O -1.2233237 -0.0000000 -0.0061440 -0.0000000 -2.8296822 -0.0000000 0.0477686 0.0000000 -1.1289260 28 O -1.6908244 -0.4320545 -0.4910671 -0.3895773 -1.6485622 -0.2504682 -0.4643340 -0.2024627 -2.0532791 29 O -1.6908244 0.4320545 -0.4910671 0.3895773 -1.6485622 0.2504682 -0.4643340 0.2024627 -2.0532791 30 O -2.3591804 0.6534288 0.4599835 0.5902294 -1.4877355 0.0576607 0.4107760 0.0111203 -1.5681809 31 O -1.6908244 -0.4320545 0.4910671 -0.3895773 -1.6485622 0.2504682 0.4643340 0.2024627 -2.0532791 32 O -1.5517863 0.1920274 -0.4239630 0.1752496 -1.3352920 -0.1975527 -0.4933269 -0.1960117 -2.4504138 33 O -1.6581701 -0.0000000 -0.0182953 -0.0000000 -2.6601057 -0.0000000 0.0164167 0.0000000 -1.2082955 34 O -1.5517863 0.1920274 0.4239630 0.1752496 -1.3352920 0.1975527 0.4933269 0.1960117 -2.4504138 35 O -2.3591804 0.6534288 -0.4599835 0.5902294 -1.4877355 -0.0576607 -0.4107760 -0.0111203 -1.5681809 36 O -2.3591804 -0.6534288 0.4599835 -0.5902294 -1.4877355 -0.0576607 0.4107760 -0.0111203 -1.5681809 37 O -1.6908244 0.4320545 0.4910671 0.3895773 -1.6485622 -0.2504682 0.4643340 -0.2024627 -2.0532791 38 O -2.3591804 -0.6534288 -0.4599835 -0.5902294 -1.4877355 0.0576607 -0.4107760 0.0111203 -1.5681809 39 O -1.6581701 -0.0000000 0.0182953 -0.0000000 -2.6601057 -0.0000000 -0.0164167 0.0000000 -1.2082955 40 O -1.5517863 -0.1920274 0.4239630 -0.1752496 -1.3352920 -0.1975527 0.4933269 -0.1960117 -2.4504138 41 O -2.3591804 -0.6534288 0.4599835 -0.5902294 -1.4877355 -0.0576607 0.4107760 -0.0111203 -1.5681809 42 O -1.2233237 -0.0000000 0.0061440 -0.0000000 -2.8296822 -0.0000000 -0.0477686 0.0000000 -1.1289260 43 O -2.3591804 0.6534288 -0.4599835 0.5902294 -1.4877355 -0.0576607 -0.4107760 -0.0111203 -1.5681809 44 O -1.5517863 0.1920274 -0.4239630 0.1752496 -1.3352920 -0.1975527 -0.4933269 -0.1960117 -2.4504138 45 O -1.2233237 -0.0000000 0.0061440 -0.0000000 -2.8296822 -0.0000000 -0.0477686 0.0000000 -1.1289260 46 O -1.5517863 -0.1920274 -0.4239630 -0.1752496 -1.3352920 0.1975527 -0.4933269 0.1960117 -2.4504138 47 O -2.3591804 -0.6534288 -0.4599835 -0.5902294 -1.4877355 0.0576607 -0.4107760 0.0111203 -1.5681809 48 O -1.5517863 -0.1920274 0.4239630 -0.1752496 -1.3352920 -0.1975527 0.4933269 -0.1960117 -2.4504138 49 O -1.6908244 0.4320545 0.4910671 0.3895773 -1.6485622 -0.2504682 0.4643340 -0.2024627 -2.0532791 50 O -1.6908244 0.4320545 -0.4910671 0.3895773 -1.6485622 0.2504682 -0.4643340 0.2024627 -2.0532791 51 O -1.2233237 -0.0000000 -0.0061440 -0.0000000 -2.8296822 -0.0000000 0.0477686 0.0000000 -1.1289260 52 O -1.5517863 0.1920274 0.4239630 0.1752496 -1.3352920 0.1975527 0.4933269 0.1960117 -2.4504138 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (yzy) -0.00000003 (yzy) -0.00000003 (yyz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 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: 0.49, Number of G-points: 281, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.315 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.834 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 0.000 0.000) 0.000 4.822 ( 0.000 0.000 0.000) 0.000 5.241 ( 0.000 0.000 0.000) 0.000 5.444 ( 0.000 0.000 0.000) 0.000 5.602 ( 0.000 0.000 0.000) 0.000 5.693 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.772 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 7.261 ( 0.000 0.000 0.000) 0.000 7.281 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 8.079 ( 0.000 0.000 0.000) 0.000 8.239 ( 0.000 0.000 0.000) 0.000 8.325 ( 0.000 0.000 0.000) 0.000 8.544 ( 0.000 0.000 0.000) 0.000 8.642 ( 0.000 0.000 0.000) 0.000 8.703 ( 0.000 0.000 0.000) 0.000 8.830 ( 0.000 0.000 0.000) 0.000 8.894 ( 0.000 0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.490 ( 0.000 0.000 0.000) 0.000 9.553 ( 0.000 0.000 0.000) 0.000 9.711 ( 0.000 0.000 0.000) 0.000 9.725 ( 0.000 0.000 0.000) 0.000 10.418 ( 0.000 0.000 0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 10.665 ( 0.000 0.000 0.000) 0.000 11.106 ( 0.000 0.000 0.000) 0.000 11.334 ( 0.000 0.000 0.000) 0.000 11.437 ( 0.000 0.000 0.000) 0.000 11.686 ( 0.000 0.000 0.000) 0.000 11.908 ( 0.000 0.000 0.000) 0.000 11.949 ( 0.000 0.000 0.000) 0.000 12.011 ( 0.000 0.000 0.000) 0.000 12.027 ( 0.000 0.000 0.000) 0.000 12.138 ( 0.000 0.000 0.000) 0.000 12.262 ( 0.000 0.000 0.000) 0.000 12.309 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 0.000) 0.000 12.911 ( 0.000 0.000 0.000) 0.000 13.063 ( 0.000 0.000 0.000) 0.000 13.101 ( 0.000 0.000 0.000) 0.000 13.203 ( 0.000 0.000 0.000) 0.000 13.319 ( 0.000 0.000 0.000) 0.000 13.357 ( 0.000 0.000 0.000) 0.000 13.544 ( 0.000 0.000 0.000) 0.000 14.708 ( 0.000 0.000 0.000) 0.000 14.922 ( 0.000 0.000 0.000) 0.000 15.125 ( 0.000 0.000 0.000) 0.000 15.193 ( 0.000 0.000 0.000) 0.000 15.305 ( 0.000 0.000 0.000) 0.000 15.423 ( 0.000 0.000 0.000) 0.000 15.715 ( 0.000 0.000 0.000) 0.000 15.814 ( 0.000 0.000 0.000) 0.000 16.070 ( 0.000 0.000 0.000) 0.000 16.502 ( 0.000 0.000 0.000) 0.000 16.566 ( 0.000 0.000 0.000) 0.000 16.827 ( 0.000 0.000 0.000) 0.000 16.851 ( 0.000 0.000 0.000) 0.000 16.991 ( 0.000 0.000 0.000) 0.000 16.992 ( 0.000 0.000 0.000) 0.000 17.033 ( 0.000 0.000 0.000) 0.000 17.181 ( 0.000 0.000 0.000) 0.000 17.571 ( 0.000 0.000 0.000) 0.000 17.620 ( 0.000 0.000 0.000) 0.000 17.986 ( 0.000 0.000 0.000) 0.000 18.272 ( 0.000 0.000 0.000) 0.000 19.331 ( 0.000 0.000 0.000) 0.000 19.676 ( 0.000 0.000 0.000) 0.000 20.458 ( 0.000 0.000 0.000) 0.000 20.813 ( 0.000 0.000 0.000) 0.000 20.848 ( 0.000 0.000 0.000) 0.000 20.956 ( 0.000 0.000 0.000) 0.000 21.312 ( 0.000 0.000 0.000) 0.000 22.206 ( 0.000 0.000 0.000) 0.000 22.606 ( 0.000 0.000 0.000) 0.000 23.910 ( 0.000 0.000 0.000) 0.000 24.699 ( 0.000 0.000 0.000) 0.000 25.300 ( 0.000 0.000 0.000) 0.000 25.735 ( 0.000 0.000 0.000) 0.000 25.764 ( 0.000 0.000 0.000) 0.000 25.829 ( 0.000 0.000 0.000) 0.000 25.971 ( 0.000 0.000 0.000) 0.000 26.388 ( 0.000 0.000 0.000) 0.000 26.431 ( 0.000 0.000 0.000) 0.000 26.834 ( 0.000 0.000 0.000) 0.000 27.215 ( 0.000 0.000 0.000) 0.000 27.442 ( 0.000 0.000 0.000) 0.000 27.481 ( 0.000 0.000 0.000) 0.000 27.589 ( 0.000 0.000 0.000) 0.000 27.593 ( 0.000 0.000 0.000) 0.000 27.622 ( 0.000 0.000 0.000) 0.000 27.760 ( 0.000 0.000 0.000) 0.000 27.951 ( 0.000 0.000 0.000) 0.000 27.959 ( 0.000 0.000 0.000) 0.000 28.149 ( 0.000 0.000 0.000) 0.000 28.152 ( 0.000 0.000 0.000) 0.000 28.167 ( 0.000 0.000 0.000) 0.000 28.543 ( 0.000 0.000 0.000) 0.000 28.708 ( 0.000 0.000 0.000) 0.000 28.775 ( 0.000 0.000 0.000) 0.000 29.185 ( 0.000 0.000 0.000) 0.000 29.256 ( 0.000 0.000 0.000) 0.000 29.386 ( 0.000 0.000 0.000) 0.000 29.529 ( 0.000 0.000 0.000) 0.000 29.698 ( 0.000 0.000 0.000) 0.000 29.707 ( 0.000 0.000 0.000) 0.000 29.808 ( 0.000 0.000 0.000) 0.000 29.918 ( 0.000 0.000 0.000) 0.000 29.919 ( 0.000 0.000 0.000) 0.000 30.138 ( 0.000 0.000 0.000) 0.000 30.195 ( 0.000 0.000 0.000) 0.000 31.174 ( 0.000 0.000 0.000) 0.000 32.040 ( 0.000 0.000 0.000) 0.000 32.180 ( 0.000 0.000 0.000) 0.000 32.499 ( 0.000 0.000 0.000) 0.000 32.601 ( 0.000 0.000 0.000) 0.000 33.039 ( 0.000 0.000 0.000) 0.000 33.143 ( 0.000 0.000 0.000) 0.000 33.172 ( 0.000 0.000 0.000) 0.000 33.261 ( 0.000 0.000 0.000) 0.000 33.273 ( 0.000 0.000 0.000) 0.000 33.355 ( 0.000 0.000 0.000) 0.000 33.682 ( 0.000 0.000 0.000) 0.000 33.856 ( 0.000 0.000 0.000) 0.000 33.935 ( 0.000 0.000 0.000) 0.000 34.295 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 35.361 0.000 0.000) 35.361 0.791 ( 38.179 0.000 0.000) 38.179 0.924 ( 43.325 0.000 0.000) 43.325 2.351 ( 3.405 0.000 0.000) 3.405 2.387 ( 1.446 0.000 0.000) 1.446 2.578 ( 3.035 0.000 0.000) 3.035 2.595 ( -2.221 0.000 0.000) 2.221 2.633 ( -8.726 0.000 0.000) 8.726 2.684 ( -5.837 0.000 0.000) 5.837 2.744 ( -3.089 0.000 0.000) 3.089 2.762 ( 0.809 0.000 0.000) 0.809 2.902 ( 0.726 0.000 0.000) 0.726 3.335 ( 7.956 0.000 0.000) 7.956 3.434 ( 3.610 0.000 0.000) 3.610 3.712 ( 3.835 0.000 0.000) 3.835 3.876 ( -4.206 0.000 0.000) 4.206 3.978 ( -0.751 0.000 0.000) 0.751 4.095 ( -14.132 0.000 0.000) 14.132 4.118 ( -12.869 0.000 0.000) 12.869 4.203 ( 19.806 0.000 0.000) 19.806 4.479 ( -4.786 0.000 0.000) 4.786 4.797 ( 0.782 0.000 0.000) 0.782 4.825 ( -0.022 0.000 0.000) 0.022 4.924 ( 12.177 0.000 0.000) 12.177 5.238 ( -29.809 0.000 0.000) 29.809 5.346 ( -35.956 0.000 0.000) 35.956 5.350 ( 8.088 0.000 0.000) 8.088 5.562 ( 6.866 0.000 0.000) 6.866 5.687 ( 12.579 0.000 0.000) 12.579 5.731 ( -1.513 0.000 0.000) 1.513 5.756 ( -1.580 0.000 0.000) 1.580 6.411 ( 17.179 0.000 0.000) 17.179 6.587 ( 17.705 0.000 0.000) 17.705 6.837 ( -4.584 0.000 0.000) 4.584 6.927 ( -4.989 0.000 0.000) 4.989 7.104 ( 5.946 0.000 0.000) 5.946 7.158 ( -6.865 0.000 0.000) 6.865 7.433 ( 10.110 0.000 0.000) 10.110 7.768 ( -30.374 0.000 0.000) 30.374 7.803 ( -2.824 0.000 0.000) 2.824 8.071 ( -0.684 0.000 0.000) 0.684 8.169 ( -25.299 0.000 0.000) 25.299 8.327 ( -9.014 0.000 0.000) 9.014 8.590 ( -8.567 0.000 0.000) 8.567 8.736 ( 0.420 0.000 0.000) 0.420 8.806 ( -1.905 0.000 0.000) 1.905 9.103 ( 15.394 0.000 0.000) 15.394 9.196 ( 7.920 0.000 0.000) 7.920 9.291 ( 20.851 0.000 0.000) 20.851 9.510 ( 1.611 0.000 0.000) 1.611 9.619 ( 6.264 0.000 0.000) 6.264 9.781 ( 5.843 0.000 0.000) 5.843 9.810 ( 7.464 0.000 0.000) 7.464 10.411 ( -3.294 0.000 0.000) 3.294 10.479 ( -5.090 0.000 0.000) 5.090 10.844 ( 15.685 0.000 0.000) 15.685 11.151 ( 0.016 0.000 0.000) 0.016 11.444 ( 6.034 0.000 0.000) 6.034 11.567 ( 14.552 0.000 0.000) 14.552 11.735 ( -10.868 0.000 0.000) 10.868 11.739 ( 5.044 0.000 0.000) 5.044 11.789 ( -15.514 0.000 0.000) 15.514 12.030 ( 2.118 0.000 0.000) 2.118 12.044 ( 1.331 0.000 0.000) 1.331 12.203 ( 0.463 0.000 0.000) 0.463 12.234 ( -2.897 0.000 0.000) 2.897 12.311 ( -0.073 0.000 0.000) 0.073 12.641 ( -5.088 0.000 0.000) 5.088 12.921 ( 1.108 0.000 0.000) 1.108 13.061 ( -3.751 0.000 0.000) 3.751 13.138 ( -5.788 0.000 0.000) 5.788 13.195 ( 1.092 0.000 0.000) 1.092 13.289 ( -1.663 0.000 0.000) 1.663 13.393 ( 2.989 0.000 0.000) 2.989 13.696 ( 7.921 0.000 0.000) 7.921 14.621 ( -8.308 0.000 0.000) 8.308 14.940 ( 1.355 0.000 0.000) 1.355 15.140 ( -3.945 0.000 0.000) 3.945 15.168 ( -1.595 0.000 0.000) 1.595 15.190 ( -8.294 0.000 0.000) 8.294 15.401 ( -2.407 0.000 0.000) 2.407 15.755 ( 4.015 0.000 0.000) 4.015 15.937 ( 8.927 0.000 0.000) 8.927 15.965 ( -9.567 0.000 0.000) 9.567 16.516 ( 1.222 0.000 0.000) 1.222 16.559 ( -0.482 0.000 0.000) 0.482 16.745 ( -5.900 0.000 0.000) 5.900 16.822 ( -2.508 0.000 0.000) 2.508 17.021 ( 2.373 0.000 0.000) 2.373 17.045 ( 3.400 0.000 0.000) 3.400 17.073 ( 3.194 0.000 0.000) 3.194 17.156 ( -1.639 0.000 0.000) 1.639 17.593 ( 1.548 0.000 0.000) 1.548 17.625 ( 0.444 0.000 0.000) 0.444 18.378 ( 9.444 0.000 0.000) 9.444 18.773 ( 2.075 0.000 0.000) 2.075 19.363 ( 3.617 0.000 0.000) 3.617 19.780 ( 9.735 0.000 0.000) 9.735 20.471 ( -19.438 0.000 0.000) 19.438 20.489 ( -2.944 0.000 0.000) 2.944 20.805 ( -10.962 0.000 0.000) 10.962 20.983 ( -0.954 0.000 0.000) 0.954 21.468 ( 11.462 0.000 0.000) 11.462 22.174 ( -3.121 0.000 0.000) 3.121 22.667 ( 7.239 0.000 0.000) 7.239 23.839 ( -7.066 0.000 0.000) 7.066 24.851 ( 13.721 0.000 0.000) 13.721 25.350 ( 1.519 0.000 0.000) 1.519 25.709 ( -4.859 0.000 0.000) 4.859 25.729 ( -0.550 0.000 0.000) 0.550 25.825 ( -0.547 0.000 0.000) 0.547 25.950 ( -2.033 0.000 0.000) 2.033 26.432 ( 3.933 0.000 0.000) 3.933 26.476 ( 3.658 0.000 0.000) 3.658 26.861 ( 2.721 0.000 0.000) 2.721 27.234 ( 1.856 0.000 0.000) 1.856 27.411 ( -3.371 0.000 0.000) 3.371 27.461 ( -2.229 0.000 0.000) 2.229 27.570 ( -1.443 0.000 0.000) 1.443 27.612 ( -0.929 0.000 0.000) 0.929 27.755 ( -0.422 0.000 0.000) 0.422 27.785 ( -5.733 0.000 0.000) 5.733 27.949 ( -0.647 0.000 0.000) 0.647 27.982 ( -2.866 0.000 0.000) 2.866 28.117 ( -3.006 0.000 0.000) 3.006 28.122 ( -4.509 0.000 0.000) 4.509 28.364 ( 15.911 0.000 0.000) 15.911 28.710 ( 0.259 0.000 0.000) 0.259 28.774 ( -0.178 0.000 0.000) 0.178 29.198 ( 1.265 0.000 0.000) 1.265 29.255 ( -0.108 0.000 0.000) 0.108 29.369 ( -1.593 0.000 0.000) 1.593 29.487 ( -3.471 0.000 0.000) 3.471 29.648 ( -0.814 0.000 0.000) 0.814 29.727 ( 1.913 0.000 0.000) 1.913 29.806 ( -0.222 0.000 0.000) 0.222 29.906 ( -1.304 0.000 0.000) 1.304 29.910 ( -0.824 0.000 0.000) 0.824 30.144 ( 0.536 0.000 0.000) 0.536 30.192 ( -0.290 0.000 0.000) 0.290 31.235 ( 5.883 0.000 0.000) 5.883 31.355 ( 0.635 0.000 0.000) 0.635 31.957 ( -7.629 0.000 0.000) 7.629 32.095 ( -7.740 0.000 0.000) 7.740 32.540 ( 3.440 0.000 0.000) 3.440 32.646 ( 3.965 0.000 0.000) 3.965 33.000 ( -3.119 0.000 0.000) 3.119 33.061 ( -7.158 0.000 0.000) 7.158 33.131 ( -2.363 0.000 0.000) 2.363 33.222 ( -3.284 0.000 0.000) 3.284 33.376 ( 7.586 0.000 0.000) 7.586 33.638 ( 2.571 0.000 0.000) 2.571 33.705 ( 1.650 0.000 0.000) 1.650 33.738 ( -6.412 0.000 0.000) 6.412 34.539 ( 18.470 0.000 0.000) 18.470 35.780 ( -6.533 0.000 0.000) 6.533 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 28.530 0.000 0.000) 28.530 1.528 ( 33.548 0.000 0.000) 33.548 1.682 ( 27.700 0.000 0.000) 27.700 2.411 ( 0.375 0.000 0.000) 0.375 2.419 ( -0.451 0.000 0.000) 0.451 2.495 ( -13.302 0.000 0.000) 13.302 2.542 ( 2.014 0.000 0.000) 2.014 2.610 ( 6.219 0.000 0.000) 6.219 2.660 ( 4.413 0.000 0.000) 4.413 2.706 ( -0.307 0.000 0.000) 0.307 2.768 ( -0.908 0.000 0.000) 0.908 2.905 ( -1.323 0.000 0.000) 1.323 3.413 ( 1.551 0.000 0.000) 1.551 3.496 ( 2.063 0.000 0.000) 2.063 3.750 ( -7.822 0.000 0.000) 7.822 3.756 ( -17.422 0.000 0.000) 17.422 3.825 ( 6.841 0.000 0.000) 6.841 3.930 ( -3.741 0.000 0.000) 3.741 4.000 ( 4.526 0.000 0.000) 4.526 4.280 ( -11.895 0.000 0.000) 11.895 4.581 ( -30.840 0.000 0.000) 30.840 4.649 ( -26.722 0.000 0.000) 26.722 4.692 ( 24.626 0.000 0.000) 24.626 4.857 ( 1.674 0.000 0.000) 1.674 4.862 ( -0.924 0.000 0.000) 0.924 5.163 ( 7.500 0.000 0.000) 7.500 5.505 ( 6.781 0.000 0.000) 6.781 5.663 ( 4.596 0.000 0.000) 4.596 5.707 ( -3.296 0.000 0.000) 3.296 5.713 ( 0.709 0.000 0.000) 0.709 6.130 ( 27.976 0.000 0.000) 27.976 6.541 ( -1.928 0.000 0.000) 1.928 6.687 ( -1.600 0.000 0.000) 1.600 6.755 ( -3.663 0.000 0.000) 3.663 7.034 ( 9.920 0.000 0.000) 9.920 7.127 ( -1.070 0.000 0.000) 1.070 7.136 ( -30.059 0.000 0.000) 30.059 7.191 ( 2.068 0.000 0.000) 2.068 7.625 ( 7.960 0.000 0.000) 7.960 7.680 ( -17.008 0.000 0.000) 17.008 7.749 ( -1.909 0.000 0.000) 1.909 8.057 ( -15.873 0.000 0.000) 15.873 8.066 ( 1.151 0.000 0.000) 1.151 8.381 ( -11.321 0.000 0.000) 11.321 8.745 ( 0.573 0.000 0.000) 0.573 8.772 ( -1.163 0.000 0.000) 1.163 9.364 ( 7.482 0.000 0.000) 7.482 9.382 ( 10.548 0.000 0.000) 10.548 9.544 ( 1.835 0.000 0.000) 1.835 9.604 ( 7.519 0.000 0.000) 7.519 9.775 ( 7.983 0.000 0.000) 7.983 9.892 ( 3.760 0.000 0.000) 3.760 9.989 ( 9.424 0.000 0.000) 9.424 10.315 ( -6.010 0.000 0.000) 6.010 10.507 ( 9.894 0.000 0.000) 9.894 11.118 ( 1.095 0.000 0.000) 1.095 11.180 ( 3.344 0.000 0.000) 3.344 11.504 ( -11.332 0.000 0.000) 11.332 11.542 ( 0.074 0.000 0.000) 0.074 11.602 ( 10.206 0.000 0.000) 10.206 11.877 ( 7.763 0.000 0.000) 7.763 11.896 ( 13.890 0.000 0.000) 13.890 12.035 ( -0.989 0.000 0.000) 0.989 12.074 ( 1.923 0.000 0.000) 1.923 12.110 ( -9.403 0.000 0.000) 9.403 12.138 ( -5.272 0.000 0.000) 5.272 12.278 ( -3.946 0.000 0.000) 3.946 12.499 ( -8.743 0.000 0.000) 8.743 12.967 ( 3.611 0.000 0.000) 3.611 12.969 ( -4.341 0.000 0.000) 4.341 13.006 ( -6.175 0.000 0.000) 6.175 13.163 ( -4.130 0.000 0.000) 4.130 13.320 ( 4.255 0.000 0.000) 4.255 13.441 ( 0.801 0.000 0.000) 0.801 13.898 ( 11.433 0.000 0.000) 11.433 14.401 ( -12.365 0.000 0.000) 12.365 14.963 ( 0.855 0.000 0.000) 0.855 15.047 ( -5.110 0.000 0.000) 5.110 15.069 ( -2.085 0.000 0.000) 2.085 15.139 ( -2.082 0.000 0.000) 2.082 15.358 ( 0.429 0.000 0.000) 0.429 15.723 ( -13.186 0.000 0.000) 13.186 15.874 ( 7.305 0.000 0.000) 7.305 16.071 ( 2.557 0.000 0.000) 2.557 16.541 ( 1.075 0.000 0.000) 1.075 16.555 ( 0.090 0.000 0.000) 0.090 16.652 ( -1.965 0.000 0.000) 1.965 16.758 ( -3.715 0.000 0.000) 3.715 17.070 ( 2.131 0.000 0.000) 2.131 17.095 ( 1.388 0.000 0.000) 1.388 17.130 ( 1.873 0.000 0.000) 1.873 17.139 ( 0.017 0.000 0.000) 0.017 17.620 ( 1.004 0.000 0.000) 1.004 17.634 ( 0.285 0.000 0.000) 0.285 18.597 ( 10.638 0.000 0.000) 10.638 18.809 ( 0.603 0.000 0.000) 0.603 19.494 ( 9.405 0.000 0.000) 9.405 20.049 ( 16.285 0.000 0.000) 16.285 20.080 ( -18.405 0.000 0.000) 18.405 20.433 ( -1.693 0.000 0.000) 1.693 20.590 ( -9.333 0.000 0.000) 9.333 20.796 ( -15.810 0.000 0.000) 15.810 21.706 ( 11.390 0.000 0.000) 11.390 22.078 ( -6.372 0.000 0.000) 6.372 22.918 ( 16.563 0.000 0.000) 16.563 23.622 ( -14.114 0.000 0.000) 14.114 25.187 ( 17.692 0.000 0.000) 17.692 25.399 ( 3.291 0.000 0.000) 3.291 25.595 ( -5.876 0.000 0.000) 5.876 25.694 ( -4.322 0.000 0.000) 4.322 25.808 ( -0.331 0.000 0.000) 0.331 25.895 ( -3.114 0.000 0.000) 3.114 26.521 ( 4.002 0.000 0.000) 4.002 26.546 ( 2.705 0.000 0.000) 2.705 26.951 ( 6.249 0.000 0.000) 6.249 27.288 ( 3.181 0.000 0.000) 3.181 27.294 ( -8.027 0.000 0.000) 8.027 27.399 ( -3.086 0.000 0.000) 3.086 27.551 ( -0.223 0.000 0.000) 0.223 27.587 ( -1.429 0.000 0.000) 1.429 27.743 ( 0.721 0.000 0.000) 0.721 27.749 ( 0.061 0.000 0.000) 0.061 27.902 ( -4.078 0.000 0.000) 4.078 27.946 ( 0.554 0.000 0.000) 0.554 27.995 ( -7.225 0.000 0.000) 7.225 28.043 ( -3.794 0.000 0.000) 3.794 28.702 ( 16.473 0.000 0.000) 16.473 28.721 ( 0.865 0.000 0.000) 0.865 28.764 ( -0.776 0.000 0.000) 0.776 29.211 ( -6.058 0.000 0.000) 6.058 29.233 ( 2.011 0.000 0.000) 2.011 29.327 ( -2.405 0.000 0.000) 2.405 29.450 ( 1.648 0.000 0.000) 1.648 29.615 ( -2.702 0.000 0.000) 2.702 29.778 ( 2.907 0.000 0.000) 2.907 29.802 ( 0.054 0.000 0.000) 0.054 29.865 ( -2.579 0.000 0.000) 2.579 29.884 ( -1.829 0.000 0.000) 1.829 30.158 ( 0.725 0.000 0.000) 0.725 30.183 ( -0.497 0.000 0.000) 0.497 31.400 ( 4.317 0.000 0.000) 4.317 31.403 ( 10.402 0.000 0.000) 10.402 31.757 ( -11.172 0.000 0.000) 11.172 31.892 ( -11.717 0.000 0.000) 11.717 32.622 ( 4.656 0.000 0.000) 4.656 32.743 ( 5.218 0.000 0.000) 5.218 32.894 ( -8.499 0.000 0.000) 8.499 32.932 ( -3.622 0.000 0.000) 3.622 33.092 ( -1.140 0.000 0.000) 1.140 33.150 ( -3.448 0.000 0.000) 3.448 33.537 ( 7.608 0.000 0.000) 7.608 33.672 ( -0.463 0.000 0.000) 0.463 33.681 ( 1.195 0.000 0.000) 1.195 33.720 ( -0.708 0.000 0.000) 0.708 34.933 ( 19.225 0.000 0.000) 19.225 35.589 ( -12.084 0.000 0.000) 12.084 ======================= Grid point 3 (4/64) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -11.760 0.000 0.000) 11.760 1.845 ( 11.760 0.000 0.000) 11.760 2.119 ( -24.014 0.000 0.000) 24.014 2.119 ( 24.014 0.000 0.000) 24.014 2.394 ( -1.464 0.000 0.000) 1.464 2.394 ( 1.464 0.000 0.000) 1.464 2.695 ( -7.066 0.000 0.000) 7.066 2.695 ( 7.066 0.000 0.000) 7.066 2.713 ( -0.062 0.000 0.000) 0.062 2.713 ( 0.062 0.000 0.000) 0.062 2.801 ( -9.314 0.000 0.000) 9.314 2.801 ( 9.314 0.000 0.000) 9.314 3.483 ( -7.663 0.000 0.000) 7.663 3.483 ( 7.663 0.000 0.000) 7.663 3.575 ( -7.531 0.000 0.000) 7.531 3.575 ( 7.531 0.000 0.000) 7.531 3.955 ( -1.132 0.000 0.000) 1.132 3.955 ( 1.132 0.000 0.000) 1.132 4.124 ( -5.678 0.000 0.000) 5.678 4.124 ( 5.678 0.000 0.000) 5.678 4.204 ( -16.136 0.000 0.000) 16.136 4.204 ( 16.136 0.000 0.000) 16.136 4.871 ( -0.245 0.000 0.000) 0.245 4.871 ( 0.245 0.000 0.000) 0.245 5.099 ( -13.475 0.000 0.000) 13.475 5.099 ( 13.475 0.000 0.000) 13.475 5.623 ( -4.926 0.000 0.000) 4.926 5.623 ( 4.926 0.000 0.000) 4.926 5.736 ( -1.189 0.000 0.000) 1.189 5.736 ( 1.189 0.000 0.000) 1.189 6.631 ( -13.325 0.000 0.000) 13.325 6.631 ( 13.325 0.000 0.000) 13.325 6.691 ( -2.199 0.000 0.000) 2.199 6.691 ( 2.199 0.000 0.000) 2.199 6.751 ( -27.590 0.000 0.000) 27.590 6.751 ( 27.590 0.000 0.000) 27.590 7.175 ( -3.759 0.000 0.000) 3.759 7.175 ( 3.759 0.000 0.000) 3.759 7.722 ( -1.772 0.000 0.000) 1.772 7.722 ( 1.772 0.000 0.000) 1.772 7.732 ( -14.560 0.000 0.000) 14.560 7.732 ( 14.560 0.000 0.000) 14.560 8.165 ( -8.776 0.000 0.000) 8.776 8.165 ( 8.776 0.000 0.000) 8.776 8.757 ( -0.575 0.000 0.000) 0.575 8.757 ( 0.575 0.000 0.000) 0.575 9.466 ( -1.897 0.000 0.000) 1.897 9.466 ( 1.897 0.000 0.000) 1.897 9.615 ( -4.102 0.000 0.000) 4.102 9.615 ( 4.102 0.000 0.000) 4.102 9.899 ( -3.290 0.000 0.000) 3.290 9.899 ( 3.290 0.000 0.000) 3.290 10.171 ( -8.137 0.000 0.000) 8.137 10.171 ( 8.137 0.000 0.000) 8.137 10.837 ( -19.488 0.000 0.000) 19.488 10.837 ( 19.488 0.000 0.000) 19.488 11.299 ( -8.308 0.000 0.000) 8.308 11.299 ( 8.308 0.000 0.000) 8.308 11.785 ( -8.782 0.000 0.000) 8.782 11.785 ( 8.782 0.000 0.000) 8.782 11.880 ( -6.571 0.000 0.000) 6.571 11.880 ( 6.571 0.000 0.000) 6.571 11.998 ( -3.195 0.000 0.000) 3.195 11.998 ( 3.195 0.000 0.000) 3.195 12.158 ( -6.571 0.000 0.000) 6.571 12.158 ( 6.571 0.000 0.000) 6.571 12.279 ( -12.873 0.000 0.000) 12.873 12.279 ( 12.873 0.000 0.000) 12.873 12.927 ( -0.903 0.000 0.000) 0.903 12.927 ( 0.903 0.000 0.000) 0.903 13.062 ( -5.316 0.000 0.000) 5.316 13.062 ( 5.316 0.000 0.000) 5.316 13.410 ( -3.657 0.000 0.000) 3.657 13.410 ( 3.657 0.000 0.000) 3.657 14.145 ( -12.585 0.000 0.000) 12.585 14.145 ( 12.585 0.000 0.000) 12.585 14.983 ( -1.551 0.000 0.000) 1.551 14.983 ( 1.551 0.000 0.000) 1.551 15.077 ( -2.716 0.000 0.000) 2.716 15.077 ( 2.716 0.000 0.000) 2.716 15.474 ( -10.186 0.000 0.000) 10.186 15.474 ( 10.186 0.000 0.000) 10.186 16.023 ( -6.250 0.000 0.000) 6.250 16.023 ( 6.250 0.000 0.000) 6.250 16.555 ( -0.254 0.000 0.000) 0.254 16.555 ( 0.254 0.000 0.000) 0.254 16.678 ( -3.606 0.000 0.000) 3.606 16.678 ( 3.606 0.000 0.000) 3.606 17.101 ( -0.753 0.000 0.000) 0.753 17.101 ( 0.753 0.000 0.000) 0.753 17.145 ( -0.140 0.000 0.000) 0.140 17.145 ( 0.140 0.000 0.000) 0.140 17.633 ( -0.348 0.000 0.000) 0.348 17.633 ( 0.348 0.000 0.000) 0.348 18.766 ( -5.322 0.000 0.000) 5.322 18.766 ( 5.322 0.000 0.000) 5.322 19.741 ( -14.689 0.000 0.000) 14.689 19.741 ( 14.689 0.000 0.000) 14.689 20.420 ( -19.548 0.000 0.000) 19.548 20.420 ( 19.548 0.000 0.000) 19.548 20.451 ( -3.918 0.000 0.000) 3.918 20.451 ( 3.918 0.000 0.000) 3.918 21.918 ( -9.303 0.000 0.000) 9.303 21.918 ( 9.303 0.000 0.000) 9.303 23.285 ( -18.336 0.000 0.000) 18.336 23.285 ( 18.336 0.000 0.000) 18.336 25.483 ( -4.940 0.000 0.000) 4.940 25.483 ( 4.940 0.000 0.000) 4.940 25.512 ( -13.284 0.000 0.000) 13.284 25.512 ( 13.284 0.000 0.000) 13.284 25.834 ( -2.570 0.000 0.000) 2.570 25.834 ( 2.570 0.000 0.000) 2.570 26.570 ( -0.579 0.000 0.000) 0.579 26.570 ( 0.579 0.000 0.000) 0.579 27.111 ( -9.113 0.000 0.000) 9.113 27.111 ( 9.113 0.000 0.000) 9.113 27.347 ( -2.460 0.000 0.000) 2.460 27.347 ( 2.460 0.000 0.000) 2.460 27.560 ( -1.030 0.000 0.000) 1.030 27.560 ( 1.030 0.000 0.000) 1.030 27.759 ( -0.407 0.000 0.000) 0.407 27.759 ( 0.407 0.000 0.000) 0.407 27.875 ( -3.050 0.000 0.000) 3.050 27.875 ( 3.050 0.000 0.000) 3.050 27.977 ( -2.507 0.000 0.000) 2.507 27.977 ( 2.507 0.000 0.000) 2.507 28.743 ( -1.217 0.000 0.000) 1.217 28.743 ( 1.217 0.000 0.000) 1.217 29.008 ( -13.109 0.000 0.000) 13.109 29.008 ( 13.109 0.000 0.000) 13.109 29.278 ( -2.383 0.000 0.000) 2.383 29.278 ( 2.383 0.000 0.000) 2.383 29.534 ( -5.008 0.000 0.000) 5.008 29.534 ( 5.008 0.000 0.000) 5.008 29.818 ( -1.625 0.000 0.000) 1.625 29.818 ( 1.625 0.000 0.000) 1.625 29.837 ( -2.730 0.000 0.000) 2.730 29.837 ( 2.730 0.000 0.000) 2.730 30.172 ( -0.646 0.000 0.000) 0.646 30.172 ( 0.646 0.000 0.000) 0.646 31.540 ( -9.360 0.000 0.000) 9.360 31.540 ( 9.360 0.000 0.000) 9.360 31.641 ( -12.507 0.000 0.000) 12.507 31.641 ( 12.507 0.000 0.000) 12.507 32.736 ( -6.739 0.000 0.000) 6.739 32.736 ( 6.739 0.000 0.000) 6.739 32.847 ( -4.796 0.000 0.000) 4.796 32.847 ( 4.796 0.000 0.000) 4.796 33.096 ( -1.568 0.000 0.000) 1.568 33.096 ( 1.568 0.000 0.000) 1.568 33.665 ( -4.721 0.000 0.000) 4.721 33.665 ( 4.721 0.000 0.000) 4.721 33.683 ( -0.753 0.000 0.000) 0.753 33.683 ( 0.753 0.000 0.000) 0.753 35.297 ( -16.375 0.000 0.000) 16.375 35.297 ( 16.375 0.000 0.000) 16.375 ======================= Grid point 7 (5/64) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 0.000 32.630 0.000) 32.630 0.812 ( 0.000 39.331 0.000) 39.331 1.361 ( 0.000 64.469 0.000) 64.469 2.296 ( 0.000 -2.650 0.000) 2.650 2.367 ( 0.000 -0.497 0.000) 0.497 2.505 ( 0.000 -3.057 0.000) 3.057 2.612 ( 0.000 0.168 0.000) 0.168 2.690 ( 0.000 -5.524 0.000) 5.524 2.703 ( 0.000 -0.996 0.000) 0.996 2.725 ( 0.000 -1.890 0.000) 1.890 2.863 ( 0.000 -3.403 0.000) 3.403 2.949 ( 0.000 -1.655 0.000) 1.655 3.141 ( 0.000 -1.622 0.000) 1.622 3.438 ( 0.000 3.156 0.000) 3.156 3.536 ( 0.000 -12.559 0.000) 12.559 3.550 ( 0.000 -9.862 0.000) 9.862 3.791 ( 0.000 -12.472 0.000) 12.472 4.067 ( 0.000 11.490 0.000) 11.490 4.237 ( 0.000 -6.345 0.000) 6.345 4.246 ( 0.000 -1.708 0.000) 1.708 4.719 ( 0.000 -5.462 0.000) 5.462 4.724 ( 0.000 -7.287 0.000) 7.287 4.875 ( 0.000 12.393 0.000) 12.393 4.924 ( 0.000 11.774 0.000) 11.774 5.204 ( 0.000 -35.712 0.000) 35.712 5.280 ( 0.000 6.274 0.000) 6.274 5.467 ( 0.000 0.578 0.000) 0.578 5.484 ( 0.000 -35.413 0.000) 35.413 5.530 ( 0.000 -15.907 0.000) 15.907 5.682 ( 0.000 6.806 0.000) 6.806 5.819 ( 0.000 0.394 0.000) 0.394 6.091 ( 0.000 2.598 0.000) 2.598 6.291 ( 0.000 7.349 0.000) 7.349 6.733 ( 0.000 -36.683 0.000) 36.683 6.887 ( 0.000 -3.424 0.000) 3.424 6.939 ( 0.000 -6.264 0.000) 6.264 7.135 ( 0.000 3.942 0.000) 3.942 7.317 ( 0.000 -5.989 0.000) 5.989 7.595 ( 0.000 -22.513 0.000) 22.513 8.162 ( 0.000 -3.461 0.000) 3.461 8.369 ( 0.000 1.016 0.000) 1.016 8.555 ( 0.000 17.170 0.000) 17.170 8.639 ( 0.000 36.003 0.000) 36.003 8.667 ( 0.000 -3.268 0.000) 3.268 8.723 ( 0.000 -0.884 0.000) 0.884 8.830 ( 0.000 -2.373 0.000) 2.373 8.944 ( 0.000 14.400 0.000) 14.400 9.006 ( 0.000 6.447 0.000) 6.447 9.146 ( 0.000 2.628 0.000) 2.628 9.230 ( 0.000 -35.276 0.000) 35.276 9.400 ( 0.000 -20.250 0.000) 20.250 9.652 ( 0.000 4.697 0.000) 4.697 9.874 ( 0.000 22.472 0.000) 22.472 10.413 ( 0.000 -18.860 0.000) 18.860 10.495 ( 0.000 4.543 0.000) 4.543 10.891 ( 0.000 -17.384 0.000) 17.384 10.896 ( 0.000 17.745 0.000) 17.745 11.328 ( 0.000 -22.957 0.000) 22.957 11.331 ( 0.000 -1.524 0.000) 1.524 11.350 ( 0.000 -6.818 0.000) 6.818 11.873 ( 0.000 -5.403 0.000) 5.403 11.988 ( 0.000 6.641 0.000) 6.641 12.129 ( 0.000 -1.879 0.000) 1.879 12.165 ( 0.000 11.716 0.000) 11.716 12.307 ( 0.000 4.280 0.000) 4.280 12.367 ( 0.000 4.089 0.000) 4.089 12.701 ( 0.000 1.703 0.000) 1.703 12.962 ( 0.000 -5.969 0.000) 5.969 12.971 ( 0.000 9.097 0.000) 9.097 13.013 ( 0.000 11.183 0.000) 11.183 13.145 ( 0.000 0.271 0.000) 0.271 13.201 ( 0.000 10.496 0.000) 10.496 13.485 ( 0.000 25.793 0.000) 25.793 13.517 ( 0.000 14.784 0.000) 14.784 13.989 ( 0.000 31.172 0.000) 31.172 14.659 ( 0.000 -5.425 0.000) 5.425 15.080 ( 0.000 -4.117 0.000) 4.117 15.106 ( 0.000 9.194 0.000) 9.194 15.126 ( 0.000 -5.900 0.000) 5.900 15.233 ( 0.000 -9.533 0.000) 9.533 15.421 ( 0.000 2.625 0.000) 2.625 15.755 ( 0.000 3.682 0.000) 3.682 15.809 ( 0.000 -2.103 0.000) 2.103 16.017 ( 0.000 -4.982 0.000) 4.982 16.464 ( 0.000 -2.710 0.000) 2.710 16.479 ( 0.000 -4.168 0.000) 4.168 16.755 ( 0.000 -7.720 0.000) 7.720 16.859 ( 0.000 -8.491 0.000) 8.491 17.072 ( 0.000 -1.002 0.000) 1.002 17.116 ( 0.000 8.941 0.000) 8.941 17.201 ( 0.000 2.822 0.000) 2.822 17.275 ( 0.000 -4.610 0.000) 4.610 17.407 ( 0.000 -13.750 0.000) 13.750 17.624 ( 0.000 2.211 0.000) 2.211 17.973 ( 0.000 -0.958 0.000) 0.958 18.090 ( 0.000 -16.584 0.000) 16.584 19.344 ( 0.000 1.846 0.000) 1.846 19.990 ( 0.000 -5.850 0.000) 5.850 20.619 ( 0.000 14.957 0.000) 14.957 20.827 ( 0.000 -9.428 0.000) 9.428 20.910 ( 0.000 1.018 0.000) 1.018 21.017 ( 0.000 12.603 0.000) 12.603 21.089 ( 0.000 -8.250 0.000) 8.250 22.140 ( 0.000 -6.994 0.000) 6.994 22.994 ( 0.000 31.242 0.000) 31.242 23.981 ( 0.000 5.294 0.000) 5.294 24.804 ( 0.000 7.295 0.000) 7.295 25.172 ( 0.000 -12.005 0.000) 12.005 25.663 ( 0.000 -5.973 0.000) 5.973 25.761 ( 0.000 2.373 0.000) 2.373 26.064 ( 0.000 7.144 0.000) 7.144 26.108 ( 0.000 -7.858 0.000) 7.858 26.380 ( 0.000 -4.990 0.000) 4.990 26.575 ( 0.000 11.487 0.000) 11.487 26.883 ( 0.000 4.426 0.000) 4.426 27.063 ( 0.000 -12.058 0.000) 12.058 27.470 ( 0.000 2.537 0.000) 2.537 27.474 ( 0.000 -0.782 0.000) 0.782 27.531 ( 0.000 -5.485 0.000) 5.485 27.635 ( 0.000 1.257 0.000) 1.257 27.691 ( 0.000 1.958 0.000) 1.958 27.802 ( 0.000 9.296 0.000) 9.296 27.921 ( 0.000 -3.056 0.000) 3.056 27.994 ( 0.000 3.567 0.000) 3.567 28.156 ( 0.000 -0.936 0.000) 0.936 28.185 ( 0.000 3.439 0.000) 3.439 28.415 ( 0.000 5.776 0.000) 5.776 28.523 ( 0.000 -1.885 0.000) 1.885 28.695 ( 0.000 -1.391 0.000) 1.391 29.165 ( 0.000 -8.145 0.000) 8.145 29.200 ( 0.000 0.368 0.000) 0.368 29.386 ( 0.000 -1.176 0.000) 1.176 29.412 ( 0.000 -9.652 0.000) 9.652 29.464 ( 0.000 0.926 0.000) 0.926 29.559 ( 0.000 -9.235 0.000) 9.235 29.719 ( 0.000 -7.383 0.000) 7.383 29.790 ( 0.000 5.128 0.000) 5.128 29.932 ( 0.000 1.231 0.000) 1.231 29.976 ( 0.000 5.447 0.000) 5.447 30.280 ( 0.000 6.375 0.000) 6.375 31.327 ( 0.000 14.046 0.000) 14.046 31.941 ( 0.000 -7.661 0.000) 7.661 32.217 ( 0.000 3.344 0.000) 3.344 32.382 ( 0.000 -9.276 0.000) 9.276 32.621 ( 0.000 -0.360 0.000) 0.360 32.783 ( 0.000 -5.977 0.000) 5.977 32.975 ( 0.000 -4.891 0.000) 4.891 33.183 ( 0.000 -5.255 0.000) 5.255 33.210 ( 0.000 4.130 0.000) 4.130 33.320 ( 0.000 5.915 0.000) 5.915 33.494 ( 0.000 9.712 0.000) 9.712 33.757 ( 0.000 6.011 0.000) 6.011 33.868 ( 0.000 -6.229 0.000) 6.229 33.893 ( 0.000 3.292 0.000) 3.292 34.232 ( 0.000 -5.829 0.000) 5.829 34.386 ( 0.000 -4.962 0.000) 4.962 ======================= Grid point 8 (6/64) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 17.934 22.522 0.000) 28.790 1.077 ( 21.959 27.030 0.000) 34.826 1.676 ( 24.661 47.102 0.000) 53.168 2.313 ( 2.578 -2.687 0.000) 3.724 2.365 ( -0.515 -2.313 0.000) 2.370 2.536 ( 2.857 -3.302 0.000) 4.367 2.588 ( -2.779 0.408 0.000) 2.808 2.664 ( -5.445 -2.450 0.000) 5.971 2.689 ( -1.246 -0.437 0.000) 1.320 2.704 ( 0.634 -5.117 0.000) 5.156 2.746 ( -8.835 4.125 0.000) 9.750 2.870 ( 0.445 -4.003 0.000) 4.028 3.225 ( 4.728 -8.444 0.000) 9.677 3.398 ( -1.601 -5.366 0.000) 5.600 3.564 ( 2.751 -12.352 0.000) 12.654 3.691 ( 7.376 -10.504 0.000) 12.835 3.733 ( -5.911 -13.189 0.000) 14.453 4.089 ( -10.744 -2.016 0.000) 10.931 4.140 ( -9.512 1.089 0.000) 9.575 4.321 ( 17.847 9.677 0.000) 20.302 4.710 ( -2.826 -3.671 0.000) 4.632 4.763 ( -2.864 -5.272 0.000) 5.999 4.848 ( -4.661 -11.330 0.000) 12.251 4.869 ( 0.167 17.045 0.000) 17.046 5.000 ( -6.538 -6.973 0.000) 9.559 5.313 ( 6.238 0.472 0.000) 6.256 5.319 ( -21.653 -3.692 0.000) 21.965 5.575 ( 8.883 -2.207 0.000) 9.153 5.647 ( 3.502 -15.376 0.000) 15.770 5.755 ( 6.385 5.772 0.000) 8.607 5.848 ( 6.391 -16.628 0.000) 17.814 5.919 ( -1.484 -1.226 0.000) 1.925 6.559 ( -0.914 -19.616 0.000) 19.638 6.705 ( 12.564 -17.708 0.000) 21.713 6.830 ( -4.245 -1.444 0.000) 4.484 6.954 ( -0.111 -11.034 0.000) 11.034 7.007 ( -7.359 1.485 0.000) 7.508 7.494 ( 10.318 -5.289 0.000) 11.595 7.502 ( -11.096 -24.886 0.000) 27.247 8.014 ( -13.857 12.585 0.000) 18.719 8.208 ( -7.961 -6.320 0.000) 10.165 8.268 ( -21.226 16.890 0.000) 27.126 8.579 ( -10.797 -1.305 0.000) 10.875 8.599 ( -4.548 36.316 0.000) 36.600 8.649 ( 1.164 -5.982 0.000) 6.094 8.757 ( -1.999 -1.549 0.000) 2.529 9.141 ( 2.845 -6.747 0.000) 7.322 9.180 ( 14.045 7.463 0.000) 15.905 9.294 ( 15.575 2.374 0.000) 15.755 9.369 ( 10.307 -25.560 0.000) 27.560 9.516 ( 8.166 -10.989 0.000) 13.691 9.651 ( -0.294 2.865 0.000) 2.880 9.900 ( 2.869 18.934 0.000) 19.151 10.324 ( -4.361 -8.154 0.000) 9.247 10.704 ( 15.041 -6.885 0.000) 16.542 10.861 ( -0.560 19.319 0.000) 19.327 10.905 ( 1.806 -17.849 0.000) 17.941 11.342 ( 2.308 -8.863 0.000) 9.158 11.345 ( 2.264 -17.754 0.000) 17.897 11.490 ( 6.442 -6.184 0.000) 8.930 11.782 ( -2.100 1.334 0.000) 2.487 12.029 ( 0.252 2.349 0.000) 2.362 12.071 ( -3.463 3.184 0.000) 4.704 12.203 ( 1.487 10.296 0.000) 10.403 12.299 ( -0.169 5.112 0.000) 5.115 12.406 ( 3.101 7.689 0.000) 8.291 12.606 ( -9.015 5.679 0.000) 10.655 12.796 ( -6.796 21.138 0.000) 22.203 12.997 ( -0.756 -3.857 0.000) 3.931 13.013 ( 0.135 11.030 0.000) 11.031 13.189 ( -1.537 11.800 0.000) 11.900 13.223 ( 2.745 1.651 0.000) 3.204 13.413 ( -2.178 15.847 0.000) 15.996 13.527 ( 0.795 13.006 0.000) 13.030 13.997 ( 0.372 26.752 0.000) 26.755 14.571 ( -8.184 -5.171 0.000) 9.681 15.024 ( -2.370 1.092 0.000) 2.610 15.097 ( -2.116 2.867 0.000) 3.563 15.100 ( -1.424 -6.240 0.000) 6.401 15.186 ( -4.771 -4.456 0.000) 6.528 15.337 ( -5.706 -1.917 0.000) 6.019 15.790 ( 2.520 1.927 0.000) 3.172 15.909 ( -9.205 -4.679 0.000) 10.326 15.911 ( 6.992 -4.000 0.000) 8.055 16.488 ( 2.118 -1.624 0.000) 2.669 16.495 ( 1.995 -2.046 0.000) 2.858 16.768 ( 0.345 -3.022 0.000) 3.042 16.902 ( 2.174 -2.977 0.000) 3.687 16.999 ( -4.687 0.225 0.000) 4.693 17.046 ( -4.465 2.405 0.000) 5.071 17.137 ( -3.008 3.144 0.000) 4.351 17.177 ( -1.489 0.993 0.000) 1.790 17.477 ( 4.497 -8.410 0.000) 9.537 17.588 ( 0.288 -0.540 0.000) 0.612 18.179 ( 8.039 -17.543 0.000) 19.297 18.368 ( 16.801 -20.130 0.000) 26.220 19.385 ( 4.501 2.571 0.000) 5.184 19.934 ( 1.278 2.540 0.000) 2.844 20.598 ( -18.053 3.720 0.000) 18.432 20.655 ( -0.059 14.528 0.000) 14.528 20.750 ( -6.983 -0.239 0.000) 6.987 21.031 ( -5.533 1.036 0.000) 5.629 21.294 ( 14.057 -6.359 0.000) 15.429 22.097 ( -4.099 -7.568 0.000) 8.607 23.037 ( 5.117 29.857 0.000) 30.292 23.936 ( -4.649 8.073 0.000) 9.316 24.928 ( 10.772 4.009 0.000) 11.494 25.187 ( 1.054 -13.197 0.000) 13.239 25.643 ( -1.430 -2.707 0.000) 3.061 25.771 ( 0.850 2.550 0.000) 2.688 26.019 ( -3.669 5.381 0.000) 6.513 26.034 ( -5.194 7.208 0.000) 8.884 26.438 ( 4.498 -3.383 0.000) 5.628 26.466 ( -1.043 8.033 0.000) 8.100 26.898 ( 1.651 3.203 0.000) 3.604 27.087 ( 2.280 -11.376 0.000) 11.602 27.411 ( -2.873 -3.225 0.000) 4.319 27.459 ( -1.172 3.121 0.000) 3.333 27.589 ( 0.663 -6.392 0.000) 6.426 27.633 ( 0.702 -0.863 0.000) 1.112 27.657 ( -3.608 3.792 0.000) 5.234 27.767 ( -2.527 4.059 0.000) 4.781 27.935 ( -2.652 -4.590 0.000) 5.301 27.986 ( -0.964 3.322 0.000) 3.459 28.125 ( -3.016 0.870 0.000) 3.139 28.231 ( -3.535 3.992 0.000) 5.332 28.411 ( 11.719 6.080 0.000) 13.203 28.697 ( 0.243 -1.428 0.000) 1.448 28.701 ( 5.666 -5.468 0.000) 7.875 29.157 ( -0.640 -8.812 0.000) 8.835 29.205 ( 0.371 -0.752 0.000) 0.839 29.357 ( -1.615 -2.386 0.000) 2.881 29.388 ( -1.747 -7.409 0.000) 7.612 29.527 ( 0.790 -6.914 0.000) 6.959 29.668 ( 7.566 -11.112 0.000) 13.443 29.720 ( -0.009 -7.109 0.000) 7.109 29.812 ( 1.664 2.872 0.000) 3.319 29.968 ( 2.935 1.544 0.000) 3.316 29.968 ( 0.761 3.763 0.000) 3.840 30.272 ( -0.770 5.867 0.000) 5.918 31.379 ( 5.063 13.286 0.000) 14.218 31.892 ( -4.587 -4.930 0.000) 6.734 32.119 ( -7.435 1.751 0.000) 7.638 32.146 ( -35.038 33.521 0.000) 48.491 32.470 ( 5.904 -5.537 0.000) 8.094 32.650 ( 2.901 -0.885 0.000) 3.033 32.897 ( -3.335 -9.468 0.000) 10.038 33.109 ( -7.530 4.989 0.000) 9.033 33.206 ( -4.970 3.554 0.000) 6.110 33.258 ( -5.043 3.556 0.000) 6.170 33.350 ( 1.784 -0.836 0.000) 1.970 33.639 ( -9.173 -1.901 0.000) 9.368 33.658 ( 5.107 2.986 0.000) 5.916 33.885 ( 2.384 8.956 0.000) 9.268 34.483 ( 17.945 -5.188 0.000) 18.680 35.214 ( 21.626 -35.343 0.000) 41.434 ======================= Grid point 9 (7/64) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 26.344 -0.675 0.000) 26.353 1.553 ( 22.219 13.638 0.000) 26.071 2.122 ( 13.951 25.046 0.000) 28.669 2.307 ( -7.327 -8.636 0.000) 11.325 2.361 ( -0.553 -3.082 0.000) 3.131 2.498 ( -8.019 -0.996 0.000) 8.080 2.557 ( 2.654 0.890 0.000) 2.799 2.621 ( 4.005 -4.764 0.000) 6.224 2.671 ( 0.428 -1.826 0.000) 1.875 2.709 ( -0.658 -4.455 0.000) 4.503 2.713 ( 4.649 5.683 0.000) 7.342 2.872 ( -0.357 -4.512 0.000) 4.526 3.295 ( 2.975 -10.418 0.000) 10.834 3.412 ( 3.718 -7.313 0.000) 8.203 3.558 ( -10.532 -11.922 0.000) 15.908 3.637 ( 3.422 -9.514 0.000) 10.111 3.794 ( 3.715 -7.408 0.000) 8.288 3.919 ( -10.122 4.614 0.000) 11.124 3.928 ( -3.316 1.322 0.000) 3.570 4.468 ( -5.725 4.363 0.000) 7.198 4.531 ( -11.603 -4.962 0.000) 12.619 4.587 ( -28.288 -1.610 0.000) 28.334 4.810 ( 14.673 6.174 0.000) 15.919 4.904 ( 3.188 10.259 0.000) 10.743 4.934 ( -1.353 3.558 0.000) 3.807 5.110 ( 3.419 -4.409 0.000) 5.579 5.477 ( 8.153 -1.384 0.000) 8.270 5.663 ( -1.051 -0.084 0.000) 1.054 5.706 ( 3.925 1.766 0.000) 4.303 5.861 ( -1.151 7.825 0.000) 7.909 6.023 ( 18.671 -9.933 0.000) 21.149 6.059 ( 8.721 -36.697 0.000) 37.719 6.437 ( -4.424 -27.566 0.000) 27.919 6.693 ( -11.454 -8.667 0.000) 14.364 6.861 ( -4.958 6.716 0.000) 8.348 6.895 ( -6.824 -9.062 0.000) 11.344 7.114 ( 20.753 -20.048 0.000) 28.854 7.199 ( -10.372 -14.367 0.000) 17.719 7.557 ( -10.042 -9.671 0.000) 13.941 7.826 ( -8.187 2.734 0.000) 8.631 7.913 ( -6.951 23.923 0.000) 24.912 8.013 ( -9.021 2.238 0.000) 9.295 8.396 ( -5.917 4.628 0.000) 7.512 8.472 ( -6.889 31.211 0.000) 31.963 8.686 ( 1.847 -4.810 0.000) 5.153 8.732 ( -0.770 -1.323 0.000) 1.531 9.276 ( 9.394 -15.791 0.000) 18.374 9.411 ( 8.374 -1.597 0.000) 8.525 9.506 ( 4.906 -6.237 0.000) 7.935 9.557 ( 6.900 -16.034 0.000) 17.455 9.616 ( -3.475 -0.462 0.000) 3.505 9.646 ( 3.697 1.327 0.000) 3.928 10.006 ( 7.260 11.610 0.000) 13.693 10.240 ( -3.996 -1.271 0.000) 4.194 10.930 ( 6.623 16.504 0.000) 17.783 10.933 ( 5.559 -17.089 0.000) 17.971 11.062 ( 12.552 -6.832 0.000) 14.291 11.327 ( -6.433 -10.365 0.000) 12.199 11.420 ( 5.278 -11.349 0.000) 12.516 11.527 ( 2.882 -9.808 0.000) 10.223 11.909 ( 9.391 -1.653 0.000) 9.536 12.005 ( -2.485 2.685 0.000) 3.658 12.007 ( -0.803 2.009 0.000) 2.163 12.201 ( -2.458 12.872 0.000) 13.105 12.267 ( -3.122 9.562 0.000) 10.058 12.385 ( -11.016 6.703 0.000) 12.895 12.483 ( 3.969 15.296 0.000) 15.803 12.671 ( -6.013 23.406 0.000) 24.166 12.999 ( 1.213 2.064 0.000) 2.394 13.029 ( 1.617 10.934 0.000) 11.053 13.139 ( -2.677 12.657 0.000) 12.937 13.223 ( -2.269 6.781 0.000) 7.150 13.422 ( 2.035 7.436 0.000) 7.709 13.532 ( -0.902 9.685 0.000) 9.727 14.034 ( 4.014 15.213 0.000) 15.734 14.365 ( -10.883 -3.344 0.000) 11.385 14.979 ( -1.644 -4.978 0.000) 5.242 15.063 ( -0.976 5.831 0.000) 5.912 15.070 ( -4.269 -5.484 0.000) 6.950 15.089 ( -2.047 0.798 0.000) 2.197 15.262 ( 0.522 -6.552 0.000) 6.572 15.646 ( -13.314 -6.539 0.000) 14.833 15.893 ( 4.971 0.265 0.000) 4.978 16.010 ( 1.942 -6.622 0.000) 6.901 16.541 ( 2.974 1.375 0.000) 3.277 16.569 ( 4.693 2.589 0.000) 5.360 16.735 ( -3.005 5.385 0.000) 6.167 16.849 ( -4.920 6.454 0.000) 8.115 17.014 ( 1.301 -5.886 0.000) 6.028 17.023 ( 3.684 -6.453 0.000) 7.431 17.102 ( -1.538 -2.387 0.000) 2.839 17.142 ( -2.032 -1.041 0.000) 2.283 17.550 ( 2.666 -4.822 0.000) 5.510 17.599 ( 0.227 -1.292 0.000) 1.311 18.369 ( 9.508 -18.812 0.000) 21.079 18.553 ( 2.955 -18.847 0.000) 19.077 19.550 ( 11.884 4.362 0.000) 12.659 20.088 ( 12.557 0.304 0.000) 12.560 20.220 ( -18.741 7.278 0.000) 20.104 20.602 ( -7.400 1.895 0.000) 7.639 20.622 ( -1.871 16.772 0.000) 16.876 20.827 ( -13.230 3.831 0.000) 13.773 21.563 ( 12.345 -8.872 0.000) 15.202 21.977 ( -7.610 -8.895 0.000) 11.706 23.222 ( 12.673 25.241 0.000) 28.244 23.780 ( -10.816 13.648 0.000) 17.415 25.150 ( 8.546 -7.222 0.000) 11.190 25.212 ( 1.352 -14.449 0.000) 14.513 25.649 ( 3.263 8.235 0.000) 8.858 25.794 ( 1.449 3.785 0.000) 4.053 25.938 ( -4.293 6.911 0.000) 8.136 25.938 ( -4.540 9.143 0.000) 10.208 26.512 ( 3.314 0.669 0.000) 3.380 26.520 ( 3.011 -2.202 0.000) 3.730 26.966 ( 5.271 0.963 0.000) 5.359 27.139 ( 1.762 -8.791 0.000) 8.966 27.363 ( -1.457 -2.039 0.000) 2.506 27.411 ( -3.631 5.640 0.000) 6.707 27.567 ( -3.571 1.243 0.000) 3.781 27.571 ( -1.574 -1.721 0.000) 2.333 27.681 ( 3.589 -3.095 0.000) 4.739 27.732 ( -0.837 -1.143 0.000) 1.417 27.841 ( -5.353 -4.606 0.000) 7.062 27.923 ( -5.872 -1.270 0.000) 6.008 28.074 ( -0.550 6.723 0.000) 6.745 28.154 ( -3.338 7.409 0.000) 8.126 28.687 ( 13.530 -0.738 0.000) 13.550 28.708 ( 0.847 -1.526 0.000) 1.746 28.746 ( 0.302 -2.177 0.000) 2.198 29.112 ( -5.153 -8.315 0.000) 9.782 29.222 ( 1.792 -3.332 0.000) 3.784 29.317 ( -2.240 -2.414 0.000) 3.293 29.381 ( 1.827 -4.065 0.000) 4.457 29.516 ( -1.912 -7.109 0.000) 7.361 29.719 ( 0.009 -6.597 0.000) 6.597 29.741 ( 0.435 -8.412 0.000) 8.423 29.840 ( 1.819 3.704 0.000) 4.127 29.941 ( -1.924 5.094 0.000) 5.445 30.093 ( 6.072 -2.602 0.000) 6.606 30.246 ( -1.885 4.106 0.000) 4.518 31.524 ( 8.955 11.170 0.000) 14.317 31.727 ( -9.291 23.935 0.000) 25.675 31.773 ( -6.447 2.018 0.000) 6.756 31.942 ( -9.816 4.393 0.000) 10.754 32.580 ( 4.902 -3.734 0.000) 6.163 32.738 ( 5.446 -1.093 0.000) 5.555 32.804 ( -5.746 -7.682 0.000) 9.593 32.974 ( -5.785 2.969 0.000) 6.503 33.111 ( -3.204 1.363 0.000) 3.482 33.155 ( -4.474 0.415 0.000) 4.494 33.412 ( 2.559 -9.528 0.000) 9.865 33.499 ( -4.177 -8.064 0.000) 9.081 33.790 ( 6.702 8.779 0.000) 11.045 33.928 ( 0.810 11.668 0.000) 11.696 34.849 ( 17.159 -7.777 0.000) 18.839 35.338 ( -4.001 -21.444 0.000) 21.814 ======================= Grid point 10 (8/64) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -10.728 -5.150 0.000) 11.900 1.776 ( 10.728 -5.150 0.000) 11.900 2.143 ( -2.319 2.927 0.000) 3.734 2.143 ( 2.319 2.927 0.000) 3.734 2.387 ( -4.102 -0.093 0.000) 4.103 2.387 ( 4.102 -0.093 0.000) 4.103 2.644 ( -2.969 -4.829 0.000) 5.668 2.644 ( 2.969 -4.829 0.000) 5.668 2.696 ( -0.357 -1.760 0.000) 1.796 2.696 ( 0.357 -1.760 0.000) 1.796 2.835 ( -4.434 0.459 0.000) 4.458 2.835 ( 4.434 0.459 0.000) 4.458 3.363 ( -6.409 -8.800 0.000) 10.886 3.363 ( 6.409 -8.800 0.000) 10.886 3.592 ( -9.367 -0.145 0.000) 9.369 3.592 ( 9.367 -0.145 0.000) 9.369 3.831 ( -0.359 -4.104 0.000) 4.119 3.831 ( 0.359 -4.104 0.000) 4.119 4.050 ( -18.355 0.596 0.000) 18.365 4.050 ( 18.355 0.596 0.000) 18.365 4.394 ( -1.374 4.813 0.000) 5.005 4.394 ( 1.374 4.813 0.000) 5.005 4.915 ( -1.011 4.882 0.000) 4.986 4.915 ( 1.011 4.882 0.000) 4.986 5.092 ( -7.389 -1.855 0.000) 7.618 5.092 ( 7.389 -1.855 0.000) 7.618 5.608 ( -4.453 0.893 0.000) 4.542 5.608 ( 4.453 0.893 0.000) 4.542 5.795 ( -4.968 1.953 0.000) 5.338 5.795 ( 4.968 1.953 0.000) 5.338 6.311 ( -6.289 -18.734 0.000) 19.761 6.311 ( 6.289 -18.734 0.000) 19.761 6.364 ( -3.854 -29.793 0.000) 30.041 6.364 ( 3.854 -29.793 0.000) 30.041 6.798 ( -0.000 1.889 0.000) 1.889 6.798 ( 0.000 1.889 0.000) 1.889 7.240 ( -12.540 -1.998 0.000) 12.699 7.240 ( 12.540 -1.998 0.000) 12.699 7.530 ( -19.168 -16.671 0.000) 25.403 7.530 ( 19.168 -16.671 0.000) 25.403 7.921 ( -2.528 14.734 0.000) 14.950 7.921 ( 2.528 14.734 0.000) 14.950 8.363 ( -2.663 20.514 0.000) 20.687 8.363 ( 2.663 20.514 0.000) 20.687 8.716 ( -1.050 -2.725 0.000) 2.920 8.716 ( 1.050 -2.725 0.000) 2.920 9.472 ( -8.656 -20.298 0.000) 22.066 9.472 ( 8.656 -20.298 0.000) 22.066 9.523 ( -2.240 -3.044 0.000) 3.780 9.523 ( 2.240 -3.044 0.000) 3.780 9.660 ( -2.151 0.947 0.000) 2.351 9.660 ( 2.151 0.947 0.000) 2.351 10.147 ( -5.717 5.860 0.000) 8.187 10.147 ( 5.717 5.860 0.000) 8.187 11.026 ( -0.934 -5.995 0.000) 6.067 11.026 ( 0.934 -5.995 0.000) 6.067 11.194 ( -3.535 0.427 0.000) 3.561 11.194 ( 3.535 0.427 0.000) 3.561 11.545 ( -4.027 -14.387 0.000) 14.940 11.545 ( 4.027 -14.387 0.000) 14.940 11.997 ( -0.830 -4.966 0.000) 5.035 11.997 ( 0.830 -4.966 0.000) 5.035 12.070 ( -7.766 9.988 0.000) 12.652 12.070 ( 7.766 9.988 0.000) 12.652 12.248 ( -2.723 10.335 0.000) 10.688 12.248 ( 2.723 10.335 0.000) 10.688 12.562 ( -4.344 22.327 0.000) 22.745 12.562 ( 4.344 22.327 0.000) 22.745 13.036 ( -1.851 10.094 0.000) 10.263 13.036 ( 1.851 10.094 0.000) 10.263 13.146 ( -3.991 8.725 0.000) 9.594 13.146 ( 3.991 8.725 0.000) 9.594 13.483 ( -3.465 7.776 0.000) 8.512 13.483 ( 3.465 7.776 0.000) 8.512 14.164 ( -8.490 2.993 0.000) 9.002 14.164 ( 8.490 2.993 0.000) 9.002 14.987 ( -2.704 -6.249 0.000) 6.809 14.987 ( 2.704 -6.249 0.000) 6.809 15.058 ( -0.668 4.324 0.000) 4.376 15.058 ( 0.668 4.324 0.000) 4.376 15.390 ( -10.752 -6.836 0.000) 12.741 15.390 ( 10.752 -6.836 0.000) 12.741 15.988 ( -3.597 -4.383 0.000) 5.670 15.988 ( 3.597 -4.383 0.000) 5.670 16.601 ( -2.396 5.207 0.000) 5.732 16.601 ( 2.396 5.207 0.000) 5.732 16.743 ( -4.747 4.728 0.000) 6.700 16.743 ( 4.747 4.728 0.000) 6.700 17.059 ( -2.222 -5.964 0.000) 6.364 17.059 ( 2.222 -5.964 0.000) 6.364 17.093 ( -2.688 -3.243 0.000) 4.212 17.093 ( 2.688 -3.243 0.000) 4.212 17.589 ( -1.192 -2.616 0.000) 2.875 17.589 ( 1.192 -2.616 0.000) 2.875 18.525 ( -5.121 -18.892 0.000) 19.574 18.525 ( 5.121 -18.892 0.000) 19.574 19.851 ( -17.139 6.670 0.000) 18.391 19.851 ( 17.139 6.670 0.000) 18.391 20.386 ( -14.904 -2.763 0.000) 15.158 20.386 ( 14.904 -2.763 0.000) 15.158 20.628 ( -3.829 15.363 0.000) 15.832 20.628 ( 3.829 15.363 0.000) 15.832 21.794 ( -10.303 -9.649 0.000) 14.116 21.794 ( 10.303 -9.649 0.000) 14.116 23.512 ( -14.757 19.468 0.000) 24.429 23.512 ( 14.757 19.468 0.000) 24.429 25.230 ( -0.309 -14.970 0.000) 14.973 25.230 ( 0.309 -14.970 0.000) 14.973 25.772 ( -6.471 13.824 0.000) 15.263 25.772 ( 6.471 13.824 0.000) 15.263 25.872 ( -1.579 4.288 0.000) 4.569 25.872 ( 1.579 4.288 0.000) 4.569 26.551 ( -0.141 -1.237 0.000) 1.245 26.551 ( 0.141 -1.237 0.000) 1.245 27.095 ( -6.048 -2.393 0.000) 6.504 27.095 ( 6.048 -2.393 0.000) 6.504 27.358 ( -0.897 2.090 0.000) 2.274 27.358 ( 0.897 2.090 0.000) 2.274 27.542 ( -0.729 -1.572 0.000) 1.733 27.542 ( 0.729 -1.572 0.000) 1.733 27.737 ( -0.920 -2.107 0.000) 2.299 27.737 ( 0.920 -2.107 0.000) 2.299 27.796 ( -4.557 -4.280 0.000) 6.252 27.796 ( 4.557 -4.280 0.000) 6.252 28.097 ( -2.245 8.387 0.000) 8.682 28.097 ( 2.245 8.387 0.000) 8.682 28.730 ( -1.161 -1.657 0.000) 2.023 28.730 ( 1.161 -1.657 0.000) 2.023 28.944 ( -10.864 -5.136 0.000) 12.017 28.944 ( 10.864 -5.136 0.000) 12.017 29.269 ( -2.482 -2.830 0.000) 3.764 29.269 ( 2.482 -2.830 0.000) 3.764 29.451 ( -4.128 -5.618 0.000) 6.971 29.451 ( 4.128 -5.618 0.000) 6.971 29.727 ( -0.867 -6.863 0.000) 6.917 29.727 ( 0.867 -6.863 0.000) 6.917 29.892 ( -2.804 4.643 0.000) 5.424 29.892 ( 2.804 4.643 0.000) 5.424 30.191 ( -3.643 0.811 0.000) 3.732 30.191 ( 3.643 0.811 0.000) 3.732 31.670 ( -2.626 11.385 0.000) 11.683 31.670 ( 2.626 11.385 0.000) 11.683 31.731 ( -10.481 8.369 0.000) 13.412 31.731 ( 10.481 8.369 0.000) 13.412 32.684 ( -5.622 -4.782 0.000) 7.381 32.684 ( 5.622 -4.782 0.000) 7.381 32.857 ( -5.955 0.393 0.000) 5.968 32.857 ( 5.955 0.393 0.000) 5.968 33.093 ( -1.339 -0.428 0.000) 1.405 33.093 ( 1.339 -0.428 0.000) 1.405 33.450 ( -1.505 -11.134 0.000) 11.235 33.450 ( 1.505 -11.134 0.000) 11.235 33.900 ( -3.625 11.678 0.000) 12.227 33.900 ( 3.625 11.678 0.000) 12.227 35.157 ( -12.681 -12.867 0.000) 18.066 35.157 ( 12.681 -12.867 0.000) 18.066 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.000 28.338 0.000) 28.338 1.570 ( 0.000 34.082 0.000) 34.082 2.112 ( 0.000 -9.156 0.000) 9.156 2.321 ( 0.000 -5.650 0.000) 5.650 2.470 ( 0.000 0.866 0.000) 0.866 2.510 ( 0.000 28.693 0.000) 28.693 2.581 ( 0.000 -3.115 0.000) 3.115 2.653 ( 0.000 9.425 0.000) 9.425 2.666 ( 0.000 -3.685 0.000) 3.685 2.677 ( 0.000 -1.633 0.000) 1.633 2.745 ( 0.000 -7.669 0.000) 7.669 2.970 ( 0.000 3.918 0.000) 3.918 3.055 ( 0.000 -6.117 0.000) 6.117 3.215 ( 0.000 -16.761 0.000) 16.761 3.311 ( 0.000 -11.958 0.000) 11.958 3.432 ( 0.000 -21.896 0.000) 21.896 3.610 ( 0.000 22.444 0.000) 22.444 4.130 ( 0.000 -9.570 0.000) 9.570 4.247 ( 0.000 5.547 0.000) 5.547 4.344 ( 0.000 11.144 0.000) 11.144 4.361 ( 0.000 -26.747 0.000) 26.747 4.607 ( 0.000 -2.159 0.000) 2.159 4.793 ( 0.000 -2.723 0.000) 2.723 4.912 ( 0.000 -15.542 0.000) 15.542 4.941 ( 0.000 -3.565 0.000) 3.565 5.183 ( 0.000 11.492 0.000) 11.492 5.219 ( 0.000 -10.361 0.000) 10.361 5.318 ( 0.000 -20.498 0.000) 20.498 5.559 ( 0.000 18.310 0.000) 18.310 5.789 ( 0.000 -3.896 0.000) 3.896 5.881 ( 0.000 12.884 0.000) 12.884 5.996 ( 0.000 -31.722 0.000) 31.722 6.166 ( 0.000 4.572 0.000) 4.572 6.357 ( 0.000 -1.447 0.000) 1.447 6.637 ( 0.000 -22.494 0.000) 22.494 6.779 ( 0.000 -7.795 0.000) 7.795 7.141 ( 0.000 -5.541 0.000) 5.541 7.160 ( 0.000 -1.103 0.000) 1.103 7.210 ( 0.000 -5.609 0.000) 5.609 8.154 ( 0.000 -38.692 0.000) 38.692 8.187 ( 0.000 5.615 0.000) 5.615 8.513 ( 0.000 -13.101 0.000) 13.101 8.604 ( 0.000 -1.439 0.000) 1.439 8.668 ( 0.000 -2.588 0.000) 2.588 8.784 ( 0.000 -0.674 0.000) 0.674 8.946 ( 0.000 -4.799 0.000) 4.799 9.122 ( 0.000 -1.072 0.000) 1.072 9.144 ( 0.000 20.363 0.000) 20.363 9.202 ( 0.000 14.189 0.000) 14.189 9.378 ( 0.000 23.859 0.000) 23.859 9.443 ( 0.000 25.705 0.000) 25.705 9.816 ( 0.000 8.780 0.000) 8.780 10.098 ( 0.000 -9.954 0.000) 9.954 10.268 ( 0.000 15.845 0.000) 15.845 10.453 ( 0.000 -13.151 0.000) 13.151 10.573 ( 0.000 -7.792 0.000) 7.792 10.877 ( 0.000 -21.081 0.000) 21.081 10.907 ( 0.000 -14.345 0.000) 14.345 11.247 ( 0.000 -6.071 0.000) 6.071 11.254 ( 0.000 -5.307 0.000) 5.307 11.876 ( 0.000 7.044 0.000) 7.044 12.075 ( 0.000 0.740 0.000) 0.740 12.147 ( 0.000 5.949 0.000) 5.949 12.411 ( 0.000 4.389 0.000) 4.389 12.413 ( 0.000 10.967 0.000) 10.967 12.425 ( 0.000 1.631 0.000) 1.631 12.642 ( 0.000 -8.356 0.000) 8.356 12.836 ( 0.000 -7.338 0.000) 7.338 13.027 ( 0.000 3.949 0.000) 3.949 13.174 ( 0.000 0.712 0.000) 0.712 13.393 ( 0.000 24.569 0.000) 24.569 13.521 ( 0.000 19.344 0.000) 19.344 13.880 ( 0.000 17.803 0.000) 17.803 14.153 ( 0.000 31.496 0.000) 31.496 14.458 ( 0.000 -14.656 0.000) 14.656 14.605 ( 0.000 25.208 0.000) 25.208 14.957 ( 0.000 -14.921 0.000) 14.921 14.980 ( 0.000 -3.894 0.000) 3.894 14.981 ( 0.000 -8.313 0.000) 8.313 15.285 ( 0.000 5.077 0.000) 5.077 15.518 ( 0.000 5.652 0.000) 5.652 15.702 ( 0.000 -6.495 0.000) 6.495 15.839 ( 0.000 3.533 0.000) 3.533 15.895 ( 0.000 -5.499 0.000) 5.499 16.444 ( 0.000 1.855 0.000) 1.855 16.470 ( 0.000 0.865 0.000) 0.865 16.550 ( 0.000 -10.082 0.000) 10.082 16.687 ( 0.000 -7.714 0.000) 7.714 16.973 ( 0.000 -7.291 0.000) 7.291 17.090 ( 0.000 -11.803 0.000) 11.803 17.127 ( 0.000 -6.188 0.000) 6.188 17.284 ( 0.000 3.905 0.000) 3.905 17.306 ( 0.000 5.915 0.000) 5.915 17.679 ( 0.000 -21.564 0.000) 21.564 17.732 ( 0.000 7.227 0.000) 7.227 17.948 ( 0.000 -2.015 0.000) 2.015 19.430 ( 0.000 6.956 0.000) 6.956 19.827 ( 0.000 -9.773 0.000) 9.773 20.615 ( 0.000 -9.128 0.000) 9.128 20.659 ( 0.000 -12.550 0.000) 12.550 21.015 ( 0.000 22.746 0.000) 22.746 21.257 ( 0.000 11.271 0.000) 11.271 21.284 ( 0.000 10.912 0.000) 10.912 21.902 ( 0.000 -16.512 0.000) 16.512 23.684 ( 0.000 34.388 0.000) 34.388 24.162 ( 0.000 12.637 0.000) 12.637 24.780 ( 0.000 -13.122 0.000) 13.122 24.854 ( 0.000 -18.134 0.000) 18.134 25.695 ( 0.000 10.800 0.000) 10.800 25.822 ( 0.000 3.480 0.000) 3.480 25.981 ( 0.000 -4.901 0.000) 4.901 26.231 ( 0.000 -9.721 0.000) 9.721 26.239 ( 0.000 10.219 0.000) 10.219 26.783 ( 0.000 -14.899 0.000) 14.899 26.796 ( 0.000 9.964 0.000) 9.964 26.980 ( 0.000 3.683 0.000) 3.683 27.409 ( 0.000 -5.194 0.000) 5.194 27.441 ( 0.000 -2.636 0.000) 2.636 27.533 ( 0.000 3.440 0.000) 3.440 27.662 ( 0.000 -2.632 0.000) 2.632 27.673 ( 0.000 2.495 0.000) 2.495 27.834 ( 0.000 -4.999 0.000) 4.999 28.022 ( 0.000 6.758 0.000) 6.758 28.139 ( 0.000 -0.689 0.000) 0.689 28.158 ( 0.000 14.779 0.000) 14.779 28.283 ( 0.000 5.535 0.000) 5.535 28.470 ( 0.000 -3.319 0.000) 3.319 28.592 ( 0.000 11.735 0.000) 11.735 28.642 ( 0.000 -4.197 0.000) 4.197 28.968 ( 0.000 -9.861 0.000) 9.861 29.062 ( 0.000 -12.595 0.000) 12.595 29.208 ( 0.000 -15.150 0.000) 15.150 29.334 ( 0.000 2.551 0.000) 2.551 29.475 ( 0.000 0.361 0.000) 0.361 29.483 ( 0.000 0.722 0.000) 0.722 29.556 ( 0.000 -7.885 0.000) 7.885 29.895 ( 0.000 4.534 0.000) 4.534 29.959 ( 0.000 1.035 0.000) 1.035 30.124 ( 0.000 8.602 0.000) 8.602 30.369 ( 0.000 0.831 0.000) 0.831 31.692 ( 0.000 20.731 0.000) 20.731 31.828 ( 0.000 -1.309 0.000) 1.309 32.156 ( 0.000 -12.412 0.000) 12.412 32.310 ( 0.000 5.710 0.000) 5.710 32.530 ( 0.000 -17.378 0.000) 17.378 32.563 ( 0.000 -4.990 0.000) 4.990 32.948 ( 0.000 1.054 0.000) 1.054 33.080 ( 0.000 -4.816 0.000) 4.816 33.316 ( 0.000 6.615 0.000) 6.615 33.493 ( 0.000 10.639 0.000) 10.639 33.652 ( 0.000 -3.458 0.000) 3.458 33.771 ( 0.000 6.389 0.000) 6.389 33.847 ( 0.000 0.395 0.000) 0.395 33.970 ( 0.000 3.740 0.000) 3.740 34.091 ( 0.000 -6.282 0.000) 6.282 34.237 ( 0.000 -9.620 0.000) 9.620 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 8.765 28.292 0.000) 29.619 1.674 ( 9.503 29.085 0.000) 30.598 2.192 ( 6.402 -9.070 0.000) 11.102 2.285 ( -4.504 -5.750 0.000) 7.304 2.457 ( -0.739 -4.831 0.000) 4.888 2.552 ( 3.664 23.065 0.000) 23.354 2.575 ( -5.784 -6.421 0.000) 8.642 2.601 ( -0.878 -3.490 0.000) 3.598 2.622 ( -2.779 6.473 0.000) 7.044 2.653 ( -2.949 0.819 0.000) 3.061 2.721 ( -1.370 -9.375 0.000) 9.475 2.860 ( -6.521 6.320 0.000) 9.082 3.055 ( 0.281 -7.116 0.000) 7.122 3.232 ( -4.004 -9.108 0.000) 9.950 3.293 ( 7.061 -12.257 0.000) 14.145 3.417 ( -0.653 -14.798 0.000) 14.812 3.687 ( 5.429 15.388 0.000) 16.318 4.091 ( -2.523 -3.737 0.000) 4.509 4.134 ( -6.616 6.828 0.000) 9.507 4.442 ( 1.772 -3.246 0.000) 3.698 4.462 ( 6.054 -22.420 0.000) 23.223 4.700 ( -8.565 -0.754 0.000) 8.598 4.717 ( 11.592 8.277 0.000) 14.244 4.989 ( 3.807 -22.437 0.000) 22.758 5.027 ( -3.750 2.084 0.000) 4.290 5.038 ( 6.665 -1.606 0.000) 6.856 5.303 ( -3.029 -0.278 0.000) 3.042 5.336 ( 3.224 -22.061 0.000) 22.295 5.513 ( -2.271 15.886 0.000) 16.048 5.708 ( -3.718 -4.215 0.000) 5.621 5.914 ( 1.818 9.625 0.000) 9.795 6.023 ( 0.593 -16.353 0.000) 16.364 6.078 ( -1.583 -0.767 0.000) 1.759 6.383 ( 0.423 -13.547 0.000) 13.553 6.558 ( -7.587 -21.203 0.000) 22.519 6.818 ( 3.429 -6.842 0.000) 7.653 7.072 ( -2.030 4.036 0.000) 4.518 7.088 ( -10.966 -6.172 0.000) 12.584 7.316 ( 7.278 -8.696 0.000) 11.339 7.888 ( -19.441 -32.905 0.000) 38.218 8.198 ( 0.544 7.754 0.000) 7.773 8.492 ( -0.009 -5.260 0.000) 5.260 8.551 ( -15.031 4.876 0.000) 15.802 8.605 ( 2.943 4.379 0.000) 5.276 8.779 ( -10.225 -6.141 0.000) 11.927 8.923 ( 14.510 -11.156 0.000) 18.303 9.026 ( -1.064 17.368 0.000) 17.401 9.315 ( 6.268 4.952 0.000) 7.989 9.410 ( -1.206 22.112 0.000) 22.145 9.441 ( 5.263 16.298 0.000) 17.126 9.504 ( 15.830 8.635 0.000) 18.032 9.784 ( -3.251 5.997 0.000) 6.821 10.138 ( 4.026 -6.528 0.000) 7.670 10.255 ( -0.553 15.565 0.000) 15.575 10.521 ( 2.779 -18.762 0.000) 18.967 10.611 ( 8.635 -2.990 0.000) 9.138 10.907 ( 0.085 -13.269 0.000) 13.269 10.983 ( 8.590 -17.708 0.000) 19.681 11.188 ( -1.061 -5.764 0.000) 5.861 11.312 ( 0.393 -10.419 0.000) 10.427 11.859 ( 0.194 7.157 0.000) 7.159 12.059 ( -2.336 -1.035 0.000) 2.555 12.111 ( -3.439 5.170 0.000) 6.209 12.415 ( 2.521 5.778 0.000) 6.304 12.442 ( 2.102 9.733 0.000) 9.957 12.530 ( 7.211 2.788 0.000) 7.732 12.558 ( -7.572 -6.274 0.000) 9.834 12.862 ( 1.789 -6.496 0.000) 6.738 13.042 ( 2.094 6.164 0.000) 6.510 13.237 ( 5.666 -0.440 0.000) 5.683 13.404 ( 1.100 25.550 0.000) 25.574 13.523 ( -0.494 19.726 0.000) 19.732 13.859 ( -1.988 16.281 0.000) 16.402 14.027 ( -10.742 32.753 0.000) 34.470 14.388 ( -6.213 -13.304 0.000) 14.683 14.563 ( -4.193 23.569 0.000) 23.939 14.919 ( -1.802 -11.843 0.000) 11.980 14.925 ( -4.814 -4.566 0.000) 6.635 14.973 ( -1.785 -11.163 0.000) 11.305 15.260 ( -2.093 5.325 0.000) 5.722 15.419 ( -6.684 7.365 0.000) 9.946 15.750 ( -9.033 -3.825 0.000) 9.810 15.764 ( 3.644 -8.965 0.000) 9.677 15.859 ( -1.664 -0.939 0.000) 1.910 16.487 ( 2.465 -1.714 0.000) 3.003 16.504 ( 5.345 3.963 0.000) 6.654 16.616 ( 5.143 -8.437 0.000) 9.881 16.764 ( 6.061 -7.385 0.000) 9.553 16.939 ( -2.925 -6.505 0.000) 7.132 17.048 ( -3.076 -9.461 0.000) 9.948 17.112 ( -1.514 0.722 0.000) 1.677 17.191 ( -4.753 5.899 0.000) 7.576 17.402 ( 4.775 0.142 0.000) 4.777 17.699 ( -1.304 9.572 0.000) 9.660 17.761 ( 7.672 -21.546 0.000) 22.871 18.086 ( 8.690 -9.803 0.000) 13.100 19.484 ( 5.517 7.319 0.000) 9.165 19.862 ( 4.163 -7.801 0.000) 8.842 20.503 ( -8.857 -5.476 0.000) 10.414 20.656 ( -2.731 -11.385 0.000) 11.707 21.028 ( 0.369 21.184 0.000) 21.187 21.169 ( -5.463 13.218 0.000) 14.303 21.352 ( 3.936 5.238 0.000) 6.552 21.859 ( -4.103 -15.892 0.000) 16.413 23.700 ( 2.256 33.281 0.000) 33.358 24.158 ( -0.757 13.777 0.000) 13.798 24.812 ( 2.523 -16.558 0.000) 16.749 24.860 ( 0.465 -18.165 0.000) 18.171 25.754 ( 5.661 12.943 0.000) 14.127 25.837 ( 1.408 3.958 0.000) 4.201 26.021 ( 3.243 -4.260 0.000) 5.354 26.119 ( -4.995 2.226 0.000) 5.468 26.377 ( 6.896 -0.102 0.000) 6.897 26.722 ( -5.116 12.932 0.000) 13.907 26.819 ( 3.788 -14.499 0.000) 14.986 26.961 ( -1.345 1.810 0.000) 2.255 27.383 ( -1.139 0.270 0.000) 1.170 27.483 ( 3.159 -3.742 0.000) 4.897 27.526 ( -0.711 3.335 0.000) 3.410 27.647 ( -1.605 -2.395 0.000) 2.883 27.652 ( -1.541 1.624 0.000) 2.239 27.812 ( -2.856 -6.623 0.000) 7.213 27.918 ( -9.023 7.074 0.000) 11.465 28.044 ( -5.586 1.014 0.000) 5.677 28.224 ( 2.114 10.287 0.000) 10.502 28.301 ( 0.704 4.488 0.000) 4.543 28.537 ( 5.938 -1.531 0.000) 6.132 28.639 ( -0.177 -4.813 0.000) 4.816 28.639 ( 3.761 6.508 0.000) 7.516 28.954 ( -0.629 -9.094 0.000) 9.115 29.063 ( -0.355 -11.199 0.000) 11.204 29.190 ( -1.567 -13.634 0.000) 13.724 29.346 ( 1.170 2.674 0.000) 2.919 29.472 ( -0.369 0.298 0.000) 0.475 29.527 ( 3.413 -2.971 0.000) 4.525 29.563 ( 0.620 -7.609 0.000) 7.635 29.905 ( 0.966 4.564 0.000) 4.666 29.982 ( 2.506 0.558 0.000) 2.568 30.112 ( -1.273 8.212 0.000) 8.310 30.349 ( -2.059 0.296 0.000) 2.080 31.724 ( 3.124 19.568 0.000) 19.816 31.834 ( 0.634 0.839 0.000) 1.052 32.106 ( -3.516 -5.081 0.000) 6.179 32.389 ( 5.926 -0.012 0.000) 5.926 32.436 ( -11.115 -5.194 0.000) 12.269 32.587 ( 2.413 -5.114 0.000) 5.655 32.753 ( -10.754 1.390 0.000) 10.843 33.086 ( -3.130 -7.826 0.000) 8.429 33.252 ( -3.885 3.868 0.000) 5.482 33.368 ( -9.739 6.951 0.000) 11.965 33.383 ( -15.341 0.290 0.000) 15.343 33.606 ( -14.170 -2.489 0.000) 14.387 33.829 ( 9.643 14.228 0.000) 17.188 34.063 ( 6.625 8.109 0.000) 10.471 34.352 ( 16.030 -7.079 0.000) 17.524 34.619 ( 19.215 -24.201 0.000) 30.902 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 8.099 22.660 0.000) 24.064 1.897 ( 8.603 18.146 0.000) 20.082 2.110 ( -9.023 -7.190 0.000) 11.537 2.290 ( 2.043 -5.534 0.000) 5.899 2.429 ( -2.958 -7.995 0.000) 8.525 2.484 ( 0.614 -6.080 0.000) 6.111 2.497 ( -8.372 3.329 0.000) 9.010 2.578 ( -2.142 0.815 0.000) 2.292 2.614 ( 0.683 -5.722 0.000) 5.763 2.631 ( 0.938 4.592 0.000) 4.687 2.713 ( 0.774 -8.406 0.000) 8.441 2.796 ( -1.600 1.236 0.000) 2.022 3.117 ( 6.317 -3.816 0.000) 7.380 3.283 ( 10.618 -5.140 0.000) 11.797 3.364 ( -1.617 -4.696 0.000) 4.966 3.507 ( 8.528 -4.825 0.000) 9.798 3.804 ( 6.832 11.638 0.000) 13.495 4.003 ( -6.598 5.577 0.000) 8.639 4.032 ( -3.087 8.614 0.000) 9.150 4.400 ( -4.079 -8.392 0.000) 9.331 4.419 ( -10.724 -4.403 0.000) 11.593 4.548 ( -9.601 -6.422 0.000) 11.551 4.895 ( -6.071 -22.063 0.000) 22.883 4.923 ( 4.533 -3.348 0.000) 5.636 5.021 ( 2.407 7.208 0.000) 7.600 5.103 ( 0.556 6.807 0.000) 6.830 5.357 ( 10.766 -16.347 0.000) 19.574 5.487 ( 9.044 -13.945 0.000) 16.621 5.545 ( 6.014 2.196 0.000) 6.403 5.697 ( 0.839 0.314 0.000) 0.895 5.931 ( 0.222 2.850 0.000) 2.858 5.983 ( -2.040 2.356 0.000) 3.116 6.089 ( -3.058 -5.945 0.000) 6.685 6.321 ( -15.433 -17.782 0.000) 23.545 6.473 ( 10.788 -32.713 0.000) 34.446 6.859 ( -8.783 -1.106 0.000) 8.852 6.922 ( 6.789 -8.974 0.000) 11.253 7.037 ( -0.770 5.785 0.000) 5.836 7.343 ( -5.834 -10.381 0.000) 11.908 7.480 ( -19.762 -28.098 0.000) 34.352 8.217 ( 1.306 11.476 0.000) 11.550 8.322 ( -6.613 12.619 0.000) 14.247 8.510 ( 1.684 -3.409 0.000) 3.802 8.624 ( -4.994 -5.461 0.000) 7.400 8.733 ( 9.487 15.383 0.000) 18.073 9.049 ( 2.855 9.980 0.000) 10.380 9.132 ( 5.151 -8.445 0.000) 9.892 9.224 ( -9.845 22.740 0.000) 24.780 9.485 ( 4.116 1.228 0.000) 4.296 9.551 ( 4.414 5.467 0.000) 7.026 9.703 ( -3.417 2.311 0.000) 4.126 9.718 ( 4.242 4.112 0.000) 5.908 10.242 ( 5.221 1.097 0.000) 5.335 10.279 ( 2.683 14.106 0.000) 14.359 10.596 ( 6.160 -15.355 0.000) 16.545 10.875 ( 14.010 -7.846 0.000) 16.058 10.892 ( -2.936 -13.876 0.000) 14.183 11.164 ( -2.247 -7.689 0.000) 8.010 11.167 ( 8.565 -13.780 0.000) 16.225 11.313 ( 1.017 -10.856 0.000) 10.904 11.888 ( 1.510 1.595 0.000) 2.196 12.016 ( -5.485 2.871 0.000) 6.191 12.020 ( 0.345 -2.342 0.000) 2.367 12.344 ( -11.586 -6.935 0.000) 13.503 12.467 ( 2.052 9.826 0.000) 10.038 12.490 ( 1.067 13.091 0.000) 13.135 12.693 ( 8.109 2.701 0.000) 8.547 12.881 ( -0.436 -3.621 0.000) 3.647 13.132 ( 6.783 9.602 0.000) 11.756 13.383 ( 8.262 1.633 0.000) 8.422 13.435 ( 0.264 25.302 0.000) 25.303 13.472 ( -3.039 20.416 0.000) 20.641 13.791 ( -5.294 11.621 0.000) 12.770 13.792 ( -10.856 30.260 0.000) 32.149 14.270 ( -3.134 -6.386 0.000) 7.114 14.442 ( -7.192 18.308 0.000) 19.670 14.824 ( -4.033 -6.286 0.000) 7.469 14.859 ( -4.409 -11.766 0.000) 12.565 14.983 ( 4.187 -9.501 0.000) 10.383 15.205 ( -3.523 2.455 0.000) 4.294 15.317 ( -2.467 9.848 0.000) 10.153 15.526 ( -11.543 -1.326 0.000) 11.619 15.818 ( 1.679 -11.423 0.000) 11.545 15.841 ( -0.286 -5.482 0.000) 5.490 16.573 ( 5.495 -3.728 0.000) 6.641 16.630 ( 6.152 6.165 0.000) 8.709 16.721 ( 4.573 -7.612 0.000) 8.880 16.834 ( -2.370 -4.986 0.000) 5.520 16.904 ( 1.365 -9.484 0.000) 9.582 17.008 ( 0.458 -2.995 0.000) 3.030 17.033 ( -5.927 7.801 0.000) 9.797 17.128 ( -2.011 3.231 0.000) 3.806 17.496 ( 4.822 -0.408 0.000) 4.839 17.670 ( -2.286 8.485 0.000) 8.788 17.953 ( 10.045 -20.528 0.000) 22.854 18.193 ( 0.992 -15.864 0.000) 15.895 19.666 ( 12.365 7.305 0.000) 14.362 20.016 ( 10.917 -6.874 0.000) 12.901 20.271 ( -13.782 0.839 0.000) 13.808 20.528 ( -9.841 -9.276 0.000) 13.523 21.014 ( -1.325 20.342 0.000) 20.385 21.059 ( -4.736 16.185 0.000) 16.864 21.452 ( 6.069 -3.412 0.000) 6.963 21.744 ( -6.897 -13.947 0.000) 15.559 23.797 ( 7.194 29.425 0.000) 30.292 24.108 ( -4.709 17.744 0.000) 18.358 24.857 ( 1.565 -20.218 0.000) 20.278 24.870 ( 0.486 -18.500 0.000) 18.506 25.876 ( 2.342 4.745 0.000) 5.292 25.898 ( 7.132 12.292 0.000) 14.211 26.029 ( -3.618 4.470 0.000) 5.750 26.072 ( 0.931 -0.895 0.000) 1.292 26.498 ( 5.104 2.045 0.000) 5.499 26.646 ( -2.459 12.169 0.000) 12.415 26.929 ( 6.019 -11.918 0.000) 13.352 26.964 ( 1.939 -1.679 0.000) 2.565 27.378 ( 0.963 3.560 0.000) 3.688 27.506 ( -1.212 3.278 0.000) 3.495 27.530 ( 0.426 -1.950 0.000) 1.996 27.583 ( -5.254 -0.275 0.000) 5.261 27.646 ( 2.016 -1.006 0.000) 2.253 27.727 ( -4.573 -5.964 0.000) 7.515 27.737 ( -6.754 2.651 0.000) 7.255 27.894 ( -8.602 -2.035 0.000) 8.840 28.255 ( 1.383 10.704 0.000) 10.792 28.303 ( -0.444 7.432 0.000) 7.445 28.640 ( 2.748 -6.649 0.000) 7.195 28.642 ( 0.582 -5.392 0.000) 5.423 28.733 ( 5.847 4.309 0.000) 7.263 28.939 ( -1.916 -6.757 0.000) 7.024 29.056 ( 0.523 -10.383 0.000) 10.396 29.149 ( -2.452 -12.712 0.000) 12.946 29.379 ( 2.028 2.707 0.000) 3.382 29.457 ( -1.164 0.789 0.000) 1.407 29.577 ( 0.718 -6.779 0.000) 6.817 29.582 ( 1.461 -5.927 0.000) 6.105 29.940 ( 2.604 5.099 0.000) 5.725 30.064 ( 5.316 -1.143 0.000) 5.437 30.071 ( -2.726 7.188 0.000) 7.687 30.285 ( -4.216 -0.971 0.000) 4.326 31.812 ( 5.177 15.993 0.000) 16.810 31.858 ( 1.931 6.342 0.000) 6.629 32.030 ( -4.073 2.758 0.000) 4.919 32.144 ( -13.467 13.668 0.000) 19.188 32.502 ( 4.555 -2.560 0.000) 5.225 32.631 ( -3.245 -6.574 0.000) 7.332 32.669 ( 5.710 -5.946 0.000) 8.243 32.960 ( -7.602 -7.354 0.000) 10.577 33.148 ( -5.914 2.398 0.000) 6.381 33.180 ( -7.584 2.634 0.000) 8.029 33.235 ( -1.075 -5.287 0.000) 5.395 33.368 ( -8.765 -5.331 0.000) 10.259 34.028 ( 8.859 14.861 0.000) 17.301 34.167 ( 2.790 11.775 0.000) 12.101 34.646 ( 12.249 -11.487 0.000) 16.792 34.852 ( 4.299 -24.311 0.000) 24.688 ======================= Grid point 17 (12/64) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -11.157 7.807 0.000) 13.617 1.771 ( 11.157 7.807 0.000) 13.617 2.218 ( -9.929 3.343 0.000) 10.476 2.218 ( 9.929 3.343 0.000) 10.476 2.391 ( -0.051 -2.075 0.000) 2.075 2.391 ( 0.051 -2.075 0.000) 2.075 2.527 ( -2.654 -5.845 0.000) 6.419 2.527 ( 2.654 -5.845 0.000) 6.419 2.630 ( -0.841 -3.816 0.000) 3.907 2.630 ( 0.841 -3.816 0.000) 3.907 2.748 ( -2.503 -6.762 0.000) 7.210 2.748 ( 2.503 -6.762 0.000) 7.210 3.274 ( -7.288 1.521 0.000) 7.445 3.274 ( 7.288 1.521 0.000) 7.445 3.539 ( -8.655 -4.948 0.000) 9.970 3.539 ( 8.655 -4.948 0.000) 9.970 3.920 ( -0.388 11.753 0.000) 11.759 3.920 ( 0.388 11.753 0.000) 11.759 4.099 ( -15.534 3.923 0.000) 16.021 4.099 ( 15.534 3.923 0.000) 16.021 4.369 ( -3.105 -5.758 0.000) 6.542 4.369 ( 3.105 -5.758 0.000) 6.542 4.912 ( -3.209 -20.697 0.000) 20.945 4.912 ( 3.209 -20.697 0.000) 20.945 5.082 ( -2.649 11.342 0.000) 11.647 5.082 ( 2.649 11.342 0.000) 11.647 5.560 ( -4.801 -20.749 0.000) 21.298 5.560 ( 4.801 -20.749 0.000) 21.298 5.681 ( -4.514 5.026 0.000) 6.755 5.681 ( 4.514 5.026 0.000) 6.755 5.957 ( -2.362 -2.362 0.000) 3.340 5.957 ( 2.362 -2.362 0.000) 3.340 6.044 ( -6.445 -7.372 0.000) 9.792 6.044 ( 6.445 -7.372 0.000) 9.792 6.706 ( -8.719 -18.128 0.000) 20.116 6.706 ( 8.719 -18.128 0.000) 20.116 7.096 ( -1.343 -11.932 0.000) 12.007 7.096 ( 1.343 -11.932 0.000) 12.008 7.163 ( -0.871 -6.932 0.000) 6.986 7.163 ( 0.871 -6.932 0.000) 6.986 8.249 ( -1.953 14.016 0.000) 14.152 8.249 ( 1.953 14.016 0.000) 14.152 8.554 ( -2.553 -4.225 0.000) 4.936 8.554 ( 2.553 -4.225 0.000) 4.936 8.966 ( -12.312 24.268 0.000) 27.212 8.966 ( 12.312 24.268 0.000) 27.212 9.142 ( -2.750 -3.079 0.000) 4.128 9.142 ( 2.750 -3.079 0.000) 4.128 9.555 ( -2.948 0.995 0.000) 3.111 9.555 ( 2.948 0.995 0.000) 3.111 9.714 ( -2.933 1.310 0.000) 3.212 9.714 ( 2.933 1.310 0.000) 3.212 10.310 ( -0.784 8.907 0.000) 8.942 10.310 ( 0.784 8.907 0.000) 8.942 10.761 ( -8.838 -14.274 0.000) 16.788 10.761 ( 8.838 -14.274 0.000) 16.788 11.093 ( -6.360 -8.884 0.000) 10.926 11.093 ( 6.360 -8.884 0.000) 10.926 11.299 ( -3.706 -11.972 0.000) 12.532 11.299 ( 3.706 -11.972 0.000) 12.532 11.922 ( -2.934 0.068 0.000) 2.935 11.922 ( 2.934 0.068 0.000) 2.935 12.119 ( -9.079 -4.116 0.000) 9.968 12.119 ( 9.079 -4.116 0.000) 9.968 12.495 ( -0.617 12.723 0.000) 12.738 12.495 ( 0.617 12.723 0.000) 12.738 12.829 ( -4.794 0.466 0.000) 4.817 12.829 ( 4.794 0.466 0.000) 4.817 13.300 ( -8.941 13.783 0.000) 16.429 13.300 ( 8.941 13.783 0.000) 16.429 13.510 ( -0.135 21.374 0.000) 21.375 13.510 ( 0.135 21.374 0.000) 21.375 13.668 ( -2.506 11.680 0.000) 11.946 13.668 ( 2.506 11.680 0.000) 11.946 14.303 ( -5.498 7.916 0.000) 9.638 14.303 ( 5.498 7.916 0.000) 9.638 14.793 ( -1.198 -8.905 0.000) 8.986 14.793 ( 1.198 -8.905 0.000) 8.986 15.105 ( -6.402 -6.041 0.000) 8.802 15.105 ( 6.402 -6.041 0.000) 8.802 15.341 ( -5.337 7.549 0.000) 9.245 15.341 ( 5.337 7.549 0.000) 9.245 15.837 ( -0.345 -9.999 0.000) 10.005 15.837 ( 0.345 -9.999 0.000) 10.005 16.679 ( -3.333 -3.140 0.000) 4.579 16.679 ( 3.333 -3.140 0.000) 4.579 16.782 ( -1.303 -0.337 0.000) 1.346 16.782 ( 1.303 -0.337 0.000) 1.346 16.928 ( -2.875 -3.771 0.000) 4.742 16.928 ( 2.875 -3.771 0.000) 4.742 17.070 ( -3.767 2.776 0.000) 4.679 17.070 ( 3.767 2.776 0.000) 4.679 17.597 ( -4.713 4.296 0.000) 6.377 17.597 ( 4.713 4.296 0.000) 6.377 18.130 ( -6.616 -18.733 0.000) 19.867 18.130 ( 6.616 -18.733 0.000) 19.867 19.962 ( -15.859 5.352 0.000) 16.738 19.962 ( 15.859 5.352 0.000) 16.738 20.278 ( -13.757 -7.845 0.000) 15.837 20.278 ( 13.757 -7.845 0.000) 15.837 21.002 ( -0.753 19.262 0.000) 19.276 21.002 ( 0.753 19.262 0.000) 19.276 21.593 ( -7.559 -10.133 0.000) 12.642 21.593 ( 7.559 -10.133 0.000) 12.642 23.967 ( -8.579 23.651 0.000) 25.159 23.967 ( 8.579 23.651 0.000) 25.159 24.874 ( -0.235 -19.822 0.000) 19.824 24.874 ( 0.235 -19.822 0.000) 19.824 25.931 ( -2.835 5.011 0.000) 5.757 25.931 ( 2.835 5.011 0.000) 5.757 26.044 ( -3.522 5.804 0.000) 6.789 26.044 ( 3.522 5.804 0.000) 6.789 26.590 ( -3.693 7.377 0.000) 8.250 26.590 ( 3.693 7.377 0.000) 8.250 27.001 ( -0.040 -6.683 0.000) 6.683 27.001 ( 0.040 -6.683 0.000) 6.683 27.440 ( -5.170 4.745 0.000) 7.017 27.440 ( 5.170 4.745 0.000) 7.017 27.514 ( -0.600 -0.729 0.000) 0.944 27.514 ( 0.600 -0.729 0.000) 0.944 27.672 ( -0.124 -3.203 0.000) 3.205 27.672 ( 0.124 -3.203 0.000) 3.205 27.736 ( -6.250 -2.356 0.000) 6.679 27.736 ( 6.250 -2.356 0.000) 6.679 28.284 ( -1.359 9.849 0.000) 9.942 28.284 ( 1.359 9.849 0.000) 9.942 28.656 ( -0.433 -6.025 0.000) 6.041 28.656 ( 0.433 -6.025 0.000) 6.041 28.858 ( -5.675 -2.030 0.000) 6.027 28.858 ( 5.675 -2.030 0.000) 6.027 29.094 ( -2.710 -11.779 0.000) 12.086 29.094 ( 2.710 -11.779 0.000) 12.086 29.423 ( -2.097 1.911 0.000) 2.837 29.423 ( 2.097 1.911 0.000) 2.837 29.589 ( -0.362 -6.142 0.000) 6.153 29.589 ( 0.362 -6.142 0.000) 6.153 30.005 ( -3.533 5.988 0.000) 6.953 30.005 ( 3.533 5.988 0.000) 6.953 30.181 ( -5.785 -1.897 0.000) 6.088 30.181 ( 5.785 -1.897 0.000) 6.088 31.906 ( -1.108 10.518 0.000) 10.576 31.906 ( 1.108 10.518 0.000) 10.576 31.963 ( -2.010 12.322 0.000) 12.485 31.963 ( 2.010 12.322 0.000) 12.485 32.574 ( -2.860 -4.514 0.000) 5.344 32.574 ( 2.860 -4.514 0.000) 5.344 32.807 ( -7.414 -6.987 0.000) 10.188 32.807 ( 7.414 -6.987 0.000) 10.188 33.090 ( -0.774 1.057 0.000) 1.310 33.090 ( 0.774 1.057 0.000) 1.310 33.252 ( -2.884 -7.376 0.000) 7.920 33.252 ( 2.884 -7.376 0.000) 7.920 34.159 ( -3.606 14.045 0.000) 14.501 34.159 ( 3.606 14.045 0.000) 14.501 34.831 ( -5.613 -17.838 0.000) 18.701 34.831 ( 5.613 -17.838 0.000) 18.701 ======================= Grid point 21 (13/64) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 0.000 -20.332 0.000) 20.332 1.796 ( 0.000 20.332 0.000) 20.332 2.103 ( 0.000 -16.791 0.000) 16.791 2.103 ( 0.000 16.791 0.000) 16.791 2.575 ( 0.000 -6.012 0.000) 6.012 2.575 ( 0.000 6.012 0.000) 6.012 2.596 ( 0.000 -0.339 0.000) 0.339 2.596 ( 0.000 0.339 0.000) 0.339 2.637 ( 0.000 -2.107 0.000) 2.107 2.637 ( 0.000 2.107 0.000) 2.107 2.928 ( 0.000 -7.033 0.000) 7.033 2.928 ( 0.000 7.033 0.000) 7.033 3.057 ( 0.000 -7.206 0.000) 7.206 3.057 ( 0.000 7.206 0.000) 7.206 3.100 ( 0.000 -8.608 0.000) 8.608 3.100 ( 0.000 8.608 0.000) 8.608 4.033 ( 0.000 -4.161 0.000) 4.161 4.033 ( 0.000 4.161 0.000) 4.161 4.335 ( 0.000 -15.542 0.000) 15.542 4.335 ( 0.000 15.542 0.000) 15.542 4.460 ( 0.000 -30.715 0.000) 30.715 4.460 ( 0.000 30.715 0.000) 30.715 4.785 ( 0.000 -0.903 0.000) 0.903 4.785 ( 0.000 0.903 0.000) 0.903 4.842 ( 0.000 -0.009 0.000) 0.009 4.842 ( 0.000 0.009 0.000) 0.009 5.220 ( 0.000 -7.807 0.000) 7.807 5.220 ( 0.000 7.807 0.000) 7.807 5.685 ( 0.000 -2.601 0.000) 2.601 5.685 ( 0.000 2.601 0.000) 2.601 5.915 ( 0.000 -14.056 0.000) 14.056 5.915 ( 0.000 14.056 0.000) 14.056 6.271 ( 0.000 -5.510 0.000) 5.510 6.271 ( 0.000 5.510 0.000) 5.510 6.538 ( 0.000 -14.125 0.000) 14.125 6.538 ( 0.000 14.125 0.000) 14.125 7.120 ( 0.000 -1.822 0.000) 1.822 7.120 ( 0.000 1.822 0.000) 1.822 7.395 ( 0.000 -24.654 0.000) 24.654 7.395 ( 0.000 24.654 0.000) 24.654 8.344 ( 0.000 -8.455 0.000) 8.455 8.344 ( 0.000 8.455 0.000) 8.455 8.622 ( 0.000 -2.023 0.000) 2.023 8.622 ( 0.000 2.023 0.000) 2.023 8.820 ( 0.000 -4.459 0.000) 4.459 8.820 ( 0.000 4.459 0.000) 4.459 9.159 ( 0.000 -1.982 0.000) 1.982 9.159 ( 0.000 1.982 0.000) 1.982 9.670 ( 0.000 -8.474 0.000) 8.474 9.670 ( 0.000 8.474 0.000) 8.474 9.784 ( 0.000 -13.166 0.000) 13.166 9.784 ( 0.000 13.166 0.000) 13.166 10.151 ( 0.000 -12.726 0.000) 12.726 10.151 ( 0.000 12.726 0.000) 12.726 10.554 ( 0.000 -7.438 0.000) 7.438 10.554 ( 0.000 7.438 0.000) 7.438 10.564 ( 0.000 -15.632 0.000) 15.632 10.564 ( 0.000 15.632 0.000) 15.632 11.163 ( 0.000 -0.234 0.000) 0.234 11.163 ( 0.000 0.234 0.000) 0.234 12.027 ( 0.000 -5.378 0.000) 5.378 12.027 ( 0.000 5.378 0.000) 5.378 12.358 ( 0.000 -12.853 0.000) 12.853 12.358 ( 0.000 12.853 0.000) 12.853 12.447 ( 0.000 -0.381 0.000) 0.381 12.447 ( 0.000 0.381 0.000) 0.381 12.664 ( 0.000 -9.241 0.000) 9.241 12.664 ( 0.000 9.241 0.000) 9.241 13.133 ( 0.000 -4.620 0.000) 4.620 13.133 ( 0.000 4.620 0.000) 4.620 13.792 ( 0.000 -4.383 0.000) 4.383 13.792 ( 0.000 4.383 0.000) 4.383 14.130 ( 0.000 -12.598 0.000) 12.598 14.130 ( 0.000 12.598 0.000) 12.598 14.645 ( 0.000 -16.011 0.000) 16.011 14.645 ( 0.000 16.011 0.000) 16.011 14.814 ( 0.000 -4.345 0.000) 4.345 14.814 ( 0.000 4.345 0.000) 4.345 15.181 ( 0.000 -15.114 0.000) 15.114 15.181 ( 0.000 15.114 0.000) 15.114 15.610 ( 0.000 -3.282 0.000) 3.282 15.610 ( 0.000 3.282 0.000) 3.282 15.860 ( 0.000 -0.976 0.000) 0.976 15.860 ( 0.000 0.976 0.000) 0.976 16.444 ( 0.000 -0.511 0.000) 0.511 16.444 ( 0.000 0.511 0.000) 0.511 16.546 ( 0.000 -6.907 0.000) 6.907 16.546 ( 0.000 6.907 0.000) 6.907 16.903 ( 0.000 -3.580 0.000) 3.580 16.903 ( 0.000 3.580 0.000) 3.580 17.220 ( 0.000 -12.327 0.000) 12.327 17.220 ( 0.000 12.327 0.000) 12.327 17.390 ( 0.000 -3.371 0.000) 3.371 17.390 ( 0.000 3.371 0.000) 3.371 17.871 ( 0.000 -5.687 0.000) 5.687 17.871 ( 0.000 5.687 0.000) 5.687 19.615 ( 0.000 -10.518 0.000) 10.518 19.615 ( 0.000 10.518 0.000) 10.518 20.520 ( 0.000 -0.740 0.000) 0.740 20.520 ( 0.000 0.740 0.000) 0.740 21.393 ( 0.000 -0.901 0.000) 0.901 21.393 ( 0.000 0.901 0.000) 0.901 21.491 ( 0.000 -22.960 0.000) 22.960 21.491 ( 0.000 22.960 0.000) 22.960 24.333 ( 0.000 -28.450 0.000) 28.450 24.333 ( 0.000 28.450 0.000) 28.450 24.479 ( 0.000 -17.872 0.000) 17.872 24.479 ( 0.000 17.872 0.000) 17.872 25.896 ( 0.000 -3.747 0.000) 3.747 25.896 ( 0.000 3.747 0.000) 3.747 25.983 ( 0.000 -14.466 0.000) 14.466 25.983 ( 0.000 14.466 0.000) 14.466 26.484 ( 0.000 -13.831 0.000) 13.831 26.484 ( 0.000 13.831 0.000) 13.831 26.964 ( 0.000 -5.647 0.000) 5.647 26.964 ( 0.000 5.647 0.000) 5.647 27.380 ( 0.000 -2.294 0.000) 2.294 27.380 ( 0.000 2.294 0.000) 2.294 27.602 ( 0.000 -3.222 0.000) 3.222 27.602 ( 0.000 3.222 0.000) 3.222 27.739 ( 0.000 -4.071 0.000) 4.071 27.739 ( 0.000 4.071 0.000) 4.071 28.111 ( 0.000 -2.624 0.000) 2.624 28.111 ( 0.000 2.624 0.000) 2.624 28.389 ( 0.000 -4.676 0.000) 4.676 28.389 ( 0.000 4.676 0.000) 4.676 28.474 ( 0.000 -13.450 0.000) 13.450 28.474 ( 0.000 13.450 0.000) 13.450 28.874 ( 0.000 -3.167 0.000) 3.167 28.874 ( 0.000 3.167 0.000) 3.167 28.880 ( 0.000 -15.970 0.000) 15.970 28.880 ( 0.000 15.970 0.000) 15.970 29.419 ( 0.000 -5.469 0.000) 5.469 29.419 ( 0.000 5.469 0.000) 5.469 29.487 ( 0.000 -0.321 0.000) 0.321 29.487 ( 0.000 0.321 0.000) 0.321 29.958 ( 0.000 -1.461 0.000) 1.461 29.958 ( 0.000 1.461 0.000) 1.461 30.296 ( 0.000 -7.242 0.000) 7.242 30.296 ( 0.000 7.242 0.000) 7.242 31.919 ( 0.000 -9.489 0.000) 9.489 31.919 ( 0.000 9.489 0.000) 9.489 32.128 ( 0.000 -21.399 0.000) 21.399 32.128 ( 0.000 21.399 0.000) 21.399 32.440 ( 0.000 -6.684 0.000) 6.684 32.440 ( 0.000 6.684 0.000) 6.684 32.994 ( 0.000 -3.409 0.000) 3.409 32.994 ( 0.000 3.409 0.000) 3.409 33.479 ( 0.000 -9.195 0.000) 9.195 33.479 ( 0.000 9.195 0.000) 9.195 33.721 ( 0.000 -10.701 0.000) 10.701 33.721 ( 0.000 10.701 0.000) 10.701 34.007 ( 0.000 -12.499 0.000) 12.499 34.007 ( 0.000 12.499 0.000) 12.499 34.027 ( 0.000 -1.786 0.000) 1.786 34.027 ( 0.000 1.786 0.000) 1.786 ======================= Grid point 23 (14/64) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 8.585 -19.464 0.000) 21.273 1.902 ( 8.585 19.464 0.000) 21.273 2.133 ( 2.286 -12.523 0.000) 12.730 2.133 ( 2.286 12.523 0.000) 12.730 2.414 ( -10.423 -5.035 0.000) 11.575 2.414 ( -10.423 5.035 0.000) 11.575 2.591 ( -0.959 -2.673 0.000) 2.840 2.591 ( -0.959 2.673 0.000) 2.840 2.605 ( -3.267 -0.639 0.000) 3.329 2.605 ( -3.267 0.639 0.000) 3.329 2.898 ( -3.953 -5.451 0.000) 6.734 2.898 ( -3.953 5.451 0.000) 6.734 3.054 ( -0.964 -7.869 0.000) 7.928 3.054 ( -0.964 7.869 0.000) 7.928 3.199 ( 10.415 -4.821 0.000) 11.477 3.199 ( 10.415 4.821 0.000) 11.477 4.106 ( 5.906 -8.091 0.000) 10.018 4.106 ( 5.906 8.091 0.000) 10.018 4.254 ( -4.529 -14.191 0.000) 14.896 4.254 ( -4.529 14.191 0.000) 14.896 4.462 ( -2.674 -34.957 0.000) 35.059 4.462 ( -2.674 34.957 0.000) 35.059 4.737 ( -6.031 -5.731 0.000) 8.320 4.737 ( -6.031 5.731 0.000) 8.320 4.996 ( 13.560 -6.413 0.000) 15.000 4.996 ( 13.560 6.413 0.000) 15.000 5.182 ( -2.058 -11.532 0.000) 11.714 5.182 ( -2.058 11.532 0.000) 11.714 5.717 ( 3.549 -8.122 0.000) 8.864 5.717 ( 3.549 8.122 0.000) 8.864 5.868 ( -4.132 -15.734 0.000) 16.268 5.868 ( -4.132 15.734 0.000) 16.268 6.191 ( -6.298 -6.488 0.000) 9.042 6.191 ( -6.298 6.488 0.000) 9.042 6.538 ( -0.869 -17.611 0.000) 17.633 6.538 ( -0.869 17.611 0.000) 17.633 7.170 ( 2.828 -5.794 0.000) 6.448 7.170 ( 2.828 5.794 0.000) 6.448 7.249 ( -11.647 -20.990 0.000) 24.005 7.249 ( -11.647 20.990 0.000) 24.005 8.363 ( 1.509 -7.480 0.000) 7.630 8.363 ( 1.509 7.480 0.000) 7.630 8.637 ( -10.939 -5.530 0.000) 12.257 8.637 ( -10.939 5.530 0.000) 12.257 8.754 ( 11.359 -8.060 0.000) 13.928 8.754 ( 11.359 8.060 0.000) 13.928 9.277 ( 4.816 -5.759 0.000) 7.508 9.277 ( 4.816 5.759 0.000) 7.508 9.695 ( 2.156 -2.450 0.000) 3.263 9.695 ( 2.156 2.450 0.000) 3.263 9.743 ( -3.537 -10.596 0.000) 11.171 9.743 ( -3.537 10.596 0.000) 11.171 10.193 ( 4.465 -11.770 0.000) 12.589 10.193 ( 4.465 11.770 0.000) 12.589 10.564 ( 0.390 -16.576 0.000) 16.580 10.564 ( 0.390 16.576 0.000) 16.580 10.673 ( 10.135 -10.610 0.000) 14.672 10.673 ( 10.135 10.610 0.000) 14.672 11.143 ( -1.563 -3.800 0.000) 4.109 11.143 ( -1.563 3.800 0.000) 4.109 11.994 ( -2.692 -5.094 0.000) 5.762 11.994 ( -2.692 5.094 0.000) 5.762 12.303 ( -5.246 -12.159 0.000) 13.243 12.303 ( -5.246 12.159 0.000) 13.243 12.515 ( 5.772 -3.545 0.000) 6.773 12.515 ( 5.772 3.545 0.000) 6.773 12.690 ( 2.083 -9.849 0.000) 10.067 12.690 ( 2.083 9.849 0.000) 10.067 13.175 ( 4.362 -5.631 0.000) 7.123 13.175 ( 4.362 5.631 0.000) 7.123 13.818 ( 1.873 -3.798 0.000) 4.235 13.818 ( 1.873 3.798 0.000) 4.235 14.070 ( -5.286 -12.515 0.000) 13.585 14.070 ( -5.286 12.515 0.000) 13.585 14.554 ( -8.314 -18.000 0.000) 19.827 14.554 ( -8.314 18.000 0.000) 19.827 14.797 ( -1.215 -3.966 0.000) 4.148 14.797 ( -1.215 3.966 0.000) 4.148 15.138 ( -4.098 -16.113 0.000) 16.626 15.138 ( -4.098 16.113 0.000) 16.626 15.586 ( -1.812 -8.587 0.000) 8.776 15.586 ( -1.812 8.587 0.000) 8.776 15.789 ( -5.754 -5.599 0.000) 8.029 15.789 ( -5.754 5.599 0.000) 8.029 16.475 ( 2.949 -3.787 0.000) 4.800 16.475 ( 2.949 3.787 0.000) 4.800 16.626 ( 6.456 -6.968 0.000) 9.499 16.626 ( 6.456 6.968 0.000) 9.499 16.880 ( -1.683 -4.313 0.000) 4.630 16.880 ( -1.683 4.313 0.000) 4.630 17.245 ( -0.093 -6.534 0.000) 6.535 17.245 ( -0.093 6.534 0.000) 6.535 17.422 ( 5.047 -6.012 0.000) 7.850 17.422 ( 5.047 6.012 0.000) 7.850 17.900 ( 1.874 -9.440 0.000) 9.624 17.900 ( 1.874 9.440 0.000) 9.624 19.669 ( 5.489 -10.184 0.000) 11.569 19.669 ( 5.489 10.184 0.000) 11.569 20.482 ( -4.032 -4.081 0.000) 5.737 20.482 ( -4.032 4.081 0.000) 5.737 21.369 ( -2.008 -4.676 0.000) 5.089 21.369 ( -2.008 4.676 0.000) 5.089 21.471 ( -1.999 -21.443 0.000) 21.536 21.471 ( -1.999 21.443 0.000) 21.536 24.337 ( 0.701 -28.499 0.000) 28.508 24.337 ( 0.701 28.499 0.000) 28.508 24.485 ( 0.456 -17.952 0.000) 17.958 24.485 ( 0.456 17.952 0.000) 17.958 25.927 ( 2.679 -4.677 0.000) 5.390 25.927 ( 2.679 4.677 0.000) 5.390 26.021 ( 2.702 -10.701 0.000) 11.037 26.021 ( 2.702 10.701 0.000) 11.037 26.526 ( 4.476 -13.051 0.000) 13.797 26.526 ( 4.476 13.051 0.000) 13.797 26.922 ( -3.091 -6.136 0.000) 6.871 26.922 ( -3.091 6.136 0.000) 6.871 27.417 ( 2.977 -2.927 0.000) 4.175 27.417 ( 2.977 2.927 0.000) 4.175 27.591 ( -1.119 -3.011 0.000) 3.213 27.591 ( -1.119 3.011 0.000) 3.213 27.703 ( -3.147 -3.745 0.000) 4.892 27.703 ( -3.147 3.745 0.000) 4.892 28.021 ( -8.182 -3.182 0.000) 8.779 28.021 ( -8.182 3.182 0.000) 8.779 28.420 ( 2.588 -6.692 0.000) 7.174 28.420 ( 2.588 6.692 0.000) 7.174 28.473 ( 0.021 -11.675 0.000) 11.675 28.473 ( 0.021 11.675 0.000) 11.675 28.887 ( 0.928 -3.734 0.000) 3.847 28.887 ( 0.928 3.734 0.000) 3.847 28.888 ( 0.536 -14.702 0.000) 14.712 28.888 ( 0.536 14.702 0.000) 14.712 29.430 ( 1.035 -5.348 0.000) 5.447 29.430 ( 1.035 5.348 0.000) 5.447 29.491 ( 0.356 -1.253 0.000) 1.303 29.491 ( 0.356 1.253 0.000) 1.303 29.972 ( 1.522 -1.849 0.000) 2.395 29.972 ( 1.522 1.849 0.000) 2.395 30.274 ( -2.139 -6.866 0.000) 7.192 30.274 ( -2.139 6.866 0.000) 7.192 31.941 ( 2.050 -8.624 0.000) 8.865 31.941 ( 2.050 8.624 0.000) 8.865 32.132 ( 0.189 -19.507 0.000) 19.507 32.132 ( 0.189 19.507 0.000) 19.507 32.467 ( 2.543 -5.986 0.000) 6.504 32.467 ( 2.543 5.986 0.000) 6.504 32.899 ( -8.504 -9.405 0.000) 12.679 32.899 ( -8.504 9.405 0.000) 12.679 33.337 ( -9.184 -3.896 0.000) 9.976 33.337 ( -9.184 3.896 0.000) 9.976 33.513 ( -13.804 -6.518 0.000) 15.265 33.513 ( -13.804 6.518 0.000) 15.265 34.181 ( 12.142 -19.555 0.000) 23.017 34.181 ( 12.142 19.555 0.000) 23.017 34.211 ( 11.658 -6.820 0.000) 13.506 34.211 ( 11.658 6.820 0.000) 13.506 ======================= Grid point 25 (15/64) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 4.014 -19.215 0.000) 19.630 2.046 ( 4.014 19.215 0.000) 19.630 2.127 ( -3.616 -8.590 0.000) 9.319 2.127 ( -3.616 8.590 0.000) 9.319 2.307 ( 1.498 -10.034 0.000) 10.146 2.307 ( 1.498 10.034 0.000) 10.146 2.504 ( -6.148 -2.541 0.000) 6.652 2.504 ( -6.148 2.541 0.000) 6.652 2.589 ( 1.309 -3.665 0.000) 3.892 2.589 ( 1.309 3.665 0.000) 3.892 2.771 ( -6.879 -3.857 0.000) 7.887 2.771 ( -6.879 3.857 0.000) 7.887 3.166 ( 11.192 -5.955 0.000) 12.678 3.166 ( 11.192 5.955 0.000) 12.678 3.388 ( 6.655 -5.878 0.000) 8.879 3.388 ( 6.655 5.878 0.000) 8.879 4.181 ( -2.761 -13.874 0.000) 14.146 4.181 ( -2.761 13.874 0.000) 14.146 4.207 ( 2.495 -15.182 0.000) 15.386 4.207 ( 2.495 15.182 0.000) 15.386 4.388 ( -2.995 -33.412 0.000) 33.546 4.388 ( -2.995 33.412 0.000) 33.546 4.521 ( -12.994 -9.841 0.000) 16.300 4.521 ( -12.994 9.841 0.000) 16.300 5.202 ( 4.050 -7.185 0.000) 8.247 5.202 ( 4.050 7.185 0.000) 8.247 5.267 ( 9.736 -7.010 0.000) 11.997 5.267 ( 9.736 7.010 0.000) 11.997 5.787 ( -2.026 -14.509 0.000) 14.649 5.787 ( -2.026 14.509 0.000) 14.649 5.839 ( 7.447 -15.953 0.000) 17.605 5.839 ( 7.447 15.953 0.000) 17.605 6.072 ( -4.001 -2.090 0.000) 4.514 6.072 ( -4.001 2.090 0.000) 4.514 6.444 ( -9.512 -24.811 0.000) 26.572 6.444 ( -9.512 24.811 0.000) 26.572 7.054 ( -4.957 -12.393 0.000) 13.347 7.054 ( -4.957 12.393 0.000) 13.347 7.164 ( -3.751 -7.170 0.000) 8.092 7.164 ( -3.751 7.170 0.000) 8.092 8.399 ( 2.055 -6.626 0.000) 6.938 8.399 ( 2.055 6.626 0.000) 6.938 8.487 ( -3.827 -6.659 0.000) 7.680 8.487 ( -3.827 6.659 0.000) 7.680 9.013 ( 12.723 -8.911 0.000) 15.533 9.013 ( 12.723 8.911 0.000) 15.533 9.298 ( -1.694 -9.894 0.000) 10.038 9.298 ( -1.694 9.894 0.000) 10.038 9.664 ( -3.525 -4.992 0.000) 6.111 9.664 ( -3.525 4.992 0.000) 6.111 9.702 ( -2.459 -9.264 0.000) 9.584 9.702 ( -2.459 9.264 0.000) 9.585 10.332 ( 8.638 -9.208 0.000) 12.626 10.332 ( 8.638 9.208 0.000) 12.626 10.575 ( -0.467 -15.486 0.000) 15.493 10.575 ( -0.467 15.486 0.000) 15.493 10.898 ( 10.686 -9.967 0.000) 14.612 10.898 ( 10.686 9.967 0.000) 14.612 11.115 ( -1.140 -5.434 0.000) 5.552 11.115 ( -1.140 5.434 0.000) 5.552 11.949 ( -0.822 -3.775 0.000) 3.864 11.949 ( -0.822 3.775 0.000) 3.864 12.157 ( -8.558 -9.692 0.000) 12.930 12.157 ( -8.558 9.692 0.000) 12.930 12.640 ( 5.633 -6.469 0.000) 8.578 12.640 ( 5.633 6.469 0.000) 8.578 12.727 ( 1.142 -10.068 0.000) 10.133 12.727 ( 1.142 10.068 0.000) 10.133 13.315 ( 9.324 -7.241 0.000) 11.806 13.315 ( 9.324 7.241 0.000) 11.806 13.772 ( -8.751 -9.130 0.000) 12.647 13.772 ( -8.751 9.130 0.000) 12.647 14.018 ( 2.980 -20.067 0.000) 20.287 14.018 ( 2.980 20.067 0.000) 20.287 14.347 ( -10.913 -21.269 0.000) 23.906 14.347 ( -10.913 21.269 0.000) 23.906 14.795 ( 1.680 -6.625 0.000) 6.834 14.795 ( 1.680 6.625 0.000) 6.834 15.021 ( -7.099 -16.729 0.000) 18.173 15.021 ( -7.099 16.729 0.000) 18.173 15.563 ( 0.006 -13.247 0.000) 13.247 15.563 ( 0.006 13.247 0.000) 13.247 15.673 ( -5.093 -10.656 0.000) 11.811 15.673 ( -5.093 10.656 0.000) 11.811 16.556 ( 4.740 -4.774 0.000) 6.727 16.556 ( 4.740 4.774 0.000) 6.727 16.714 ( -0.129 -5.597 0.000) 5.598 16.714 ( -0.129 5.597 0.000) 5.598 16.895 ( 5.015 -7.875 0.000) 9.337 16.895 ( 5.015 7.875 0.000) 9.337 17.178 ( -5.646 -3.277 0.000) 6.529 17.178 ( -5.646 3.277 0.000) 6.529 17.595 ( 10.260 -12.611 0.000) 16.257 17.595 ( 10.260 12.611 0.000) 16.257 17.901 ( -2.527 -13.194 0.000) 13.433 17.901 ( -2.527 13.194 0.000) 13.433 19.841 ( 11.285 -9.441 0.000) 14.713 19.841 ( 11.285 9.441 0.000) 14.713 20.344 ( -9.683 -6.936 0.000) 11.911 20.344 ( -9.683 6.936 0.000) 11.911 21.335 ( -0.757 -9.573 0.000) 9.603 21.335 ( -0.757 9.573 0.000) 9.603 21.413 ( -3.420 -18.400 0.000) 18.716 21.413 ( -3.420 18.400 0.000) 18.716 24.373 ( 2.868 -26.690 0.000) 26.844 24.373 ( 2.868 26.690 0.000) 26.844 24.484 ( -0.955 -19.085 0.000) 19.109 24.484 ( -0.955 19.085 0.000) 19.109 25.986 ( 2.782 -5.727 0.000) 6.367 25.986 ( 2.782 5.727 0.000) 6.367 26.053 ( 0.091 -3.209 0.000) 3.210 26.053 ( 0.091 3.209 0.000) 3.210 26.666 ( 8.447 -12.952 0.000) 15.464 26.666 ( 8.447 12.952 0.000) 15.464 26.873 ( -1.708 -8.033 0.000) 8.213 26.873 ( -1.708 8.033 0.000) 8.213 27.470 ( 1.654 -4.475 0.000) 4.771 27.470 ( 1.654 4.475 0.000) 4.771 27.555 ( -2.464 -1.984 0.000) 3.164 27.555 ( -2.464 1.984 0.000) 3.164 27.644 ( -1.427 -1.678 0.000) 2.203 27.644 ( -1.427 1.678 0.000) 2.203 27.825 ( -9.724 -4.672 0.000) 10.788 27.825 ( -9.724 4.672 0.000) 10.788 28.470 ( 1.875 -8.972 0.000) 9.166 28.470 ( 1.875 8.972 0.000) 9.166 28.479 ( 0.575 -10.389 0.000) 10.405 28.479 ( 0.575 10.389 0.000) 10.405 28.894 ( 0.131 -11.000 0.000) 11.001 28.894 ( 0.131 11.000 0.000) 11.001 28.899 ( 0.195 -3.413 0.000) 3.419 28.899 ( 0.195 3.413 0.000) 3.419 29.457 ( 1.529 -4.897 0.000) 5.130 29.457 ( 1.529 4.897 0.000) 5.130 29.497 ( -0.012 -2.880 0.000) 2.880 29.497 ( -0.012 2.880 0.000) 2.880 30.025 ( 3.692 -3.011 0.000) 4.764 30.025 ( 3.692 3.011 0.000) 4.764 30.210 ( -4.098 -5.880 0.000) 7.167 30.210 ( -4.098 5.880 0.000) 7.167 31.997 ( 3.375 -5.807 0.000) 6.717 31.997 ( 3.375 5.807 0.000) 6.717 32.123 ( -1.397 -12.755 0.000) 12.831 32.123 ( -1.397 12.755 0.000) 12.831 32.533 ( 3.691 -5.629 0.000) 6.731 32.533 ( 3.691 5.629 0.000) 6.731 32.718 ( -7.626 -12.851 0.000) 14.944 32.718 ( -7.626 12.851 0.000) 14.944 33.188 ( -5.172 -1.332 0.000) 5.341 33.188 ( -5.172 1.332 0.000) 5.341 33.263 ( -9.788 -5.039 0.000) 11.009 33.263 ( -9.788 5.039 0.000) 11.009 34.391 ( 7.582 -20.630 0.000) 21.979 34.391 ( 7.582 20.630 0.000) 21.979 34.406 ( 6.810 -11.838 0.000) 13.657 34.406 ( 6.810 11.838 0.000) 13.657 ======================= Grid point 27 (16/64) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -0.740 -18.109 0.000) 18.124 2.078 ( 0.740 -18.109 0.000) 18.124 2.078 ( -0.740 18.109 0.000) 18.124 2.078 ( 0.740 18.109 0.000) 18.124 2.386 ( -5.092 -6.029 0.000) 7.892 2.386 ( 5.092 -6.029 0.000) 7.892 2.386 ( -5.092 6.029 0.000) 7.892 2.386 ( 5.092 6.029 0.000) 7.892 2.651 ( -4.669 -3.604 0.000) 5.898 2.651 ( 4.669 -3.604 0.000) 5.898 2.651 ( -4.669 3.604 0.000) 5.898 2.651 ( 4.669 3.604 0.000) 5.898 3.394 ( -7.326 -8.589 0.000) 11.289 3.394 ( 7.326 -8.589 0.000) 11.289 3.394 ( -7.326 8.589 0.000) 11.289 3.394 ( 7.326 8.589 0.000) 11.289 4.173 ( -3.024 -5.094 0.000) 5.924 4.173 ( 3.024 -5.094 0.000) 5.924 4.173 ( -3.024 5.094 0.000) 5.924 4.173 ( 3.024 5.094 0.000) 5.924 4.368 ( -1.481 -21.313 0.000) 21.364 4.368 ( 1.481 -21.313 0.000) 21.364 4.368 ( -1.481 21.313 0.000) 21.364 4.368 ( 1.481 21.313 0.000) 21.364 5.306 ( -4.380 -9.071 0.000) 10.074 5.306 ( 4.380 -9.071 0.000) 10.074 5.306 ( -4.380 9.072 0.000) 10.074 5.306 ( 4.380 9.072 0.000) 10.074 5.843 ( -5.796 -9.799 0.000) 11.385 5.843 ( 5.796 -9.799 0.000) 11.385 5.843 ( -5.796 9.799 0.000) 11.385 5.843 ( 5.796 9.799 0.000) 11.385 6.186 ( -13.451 -21.524 0.000) 25.381 6.186 ( 13.451 -21.524 0.000) 25.381 6.186 ( -13.451 21.524 0.000) 25.381 6.186 ( 13.451 21.524 0.000) 25.381 7.063 ( -4.411 -3.520 0.000) 5.643 7.063 ( 4.411 -3.520 0.000) 5.643 7.063 ( -4.411 3.520 0.000) 5.643 7.063 ( 4.411 3.520 0.000) 5.643 8.440 ( -1.828 -6.429 0.000) 6.684 8.440 ( 1.828 -6.429 0.000) 6.684 8.440 ( -1.828 6.429 0.000) 6.684 8.440 ( 1.828 6.429 0.000) 6.684 9.220 ( -6.768 -2.348 0.000) 7.164 9.220 ( -6.768 2.348 0.000) 7.164 9.220 ( 6.768 -2.348 0.000) 7.164 9.220 ( 6.768 2.348 0.000) 7.164 9.638 ( -1.741 -7.908 0.000) 8.097 9.638 ( 1.741 -7.908 0.000) 8.097 9.638 ( -1.741 7.908 0.000) 8.097 9.638 ( 1.741 7.908 0.000) 8.097 10.501 ( -6.799 -10.806 0.000) 12.766 10.501 ( 6.799 -10.806 0.000) 12.766 10.501 ( -6.799 10.806 0.000) 12.766 10.501 ( 6.799 10.806 0.000) 12.766 11.064 ( -5.063 -7.686 0.000) 9.203 11.064 ( 5.063 -7.686 0.000) 9.203 11.064 ( -5.063 7.686 0.000) 9.203 11.064 ( 5.063 7.686 0.000) 9.203 11.997 ( -5.870 -6.183 0.000) 8.525 11.997 ( 5.870 -6.183 0.000) 8.525 11.997 ( -5.870 6.183 0.000) 8.525 11.997 ( 5.870 6.183 0.000) 8.525 12.721 ( -2.078 -9.059 0.000) 9.294 12.721 ( 2.078 -9.059 0.000) 9.294 12.721 ( -2.078 9.059 0.000) 9.294 12.721 ( 2.078 9.059 0.000) 9.294 13.540 ( -12.240 -8.462 0.000) 14.880 13.540 ( 12.240 -8.462 0.000) 14.880 13.540 ( -12.240 8.462 0.000) 14.880 13.540 ( 12.240 8.462 0.000) 14.880 14.145 ( -8.530 -22.406 0.000) 23.974 14.145 ( 8.530 -22.406 0.000) 23.974 14.145 ( -8.530 22.406 0.000) 23.974 14.145 ( 8.530 22.406 0.000) 23.974 14.877 ( -6.219 -13.418 0.000) 14.789 14.877 ( 6.219 -13.418 0.000) 14.789 14.877 ( -6.219 13.418 0.000) 14.789 14.877 ( 6.219 13.418 0.000) 14.789 15.592 ( -2.770 -13.760 0.000) 14.036 15.592 ( 2.770 -13.760 0.000) 14.036 15.592 ( -2.770 13.760 0.000) 14.036 15.592 ( 2.770 13.760 0.000) 14.036 16.653 ( -4.497 -4.386 0.000) 6.282 16.653 ( 4.497 -4.386 0.000) 6.282 16.653 ( -4.497 4.386 0.000) 6.282 16.653 ( 4.497 4.386 0.000) 6.282 17.039 ( -7.619 -6.554 0.000) 10.050 17.039 ( 7.619 -6.554 0.000) 10.050 17.039 ( -7.619 6.554 0.000) 10.050 17.039 ( 7.619 6.554 0.000) 10.050 17.790 ( -8.109 -14.147 0.000) 16.306 17.790 ( 8.109 -14.147 0.000) 16.306 17.790 ( -8.109 14.147 0.000) 16.306 17.790 ( 8.109 14.147 0.000) 16.306 20.102 ( -13.387 -8.410 0.000) 15.809 20.102 ( 13.387 -8.410 0.000) 15.809 20.102 ( -13.387 8.410 0.000) 15.809 20.102 ( 13.387 8.410 0.000) 15.809 21.351 ( -2.274 -14.484 0.000) 14.661 21.351 ( 2.274 -14.484 0.000) 14.661 21.351 ( -2.274 14.484 0.000) 14.661 21.351 ( 2.274 14.484 0.000) 14.661 24.440 ( -3.189 -22.619 0.000) 22.842 24.440 ( 3.189 -22.619 0.000) 22.842 24.440 ( -3.189 22.619 0.000) 22.842 24.440 ( 3.189 22.619 0.000) 22.842 26.033 ( -1.771 -4.419 0.000) 4.761 26.033 ( 1.771 -4.419 0.000) 4.761 26.033 ( -1.771 4.419 0.000) 4.761 26.033 ( 1.771 4.419 0.000) 4.761 26.815 ( -5.124 -11.660 0.000) 12.736 26.815 ( 5.124 -11.660 0.000) 12.736 26.815 ( -5.124 11.660 0.000) 12.736 26.815 ( 5.124 11.660 0.000) 12.736 27.500 ( -2.258 -1.597 0.000) 2.765 27.500 ( 2.258 -1.597 0.000) 2.765 27.500 ( -2.258 1.597 0.000) 2.765 27.500 ( 2.258 1.597 0.000) 2.765 27.675 ( -4.515 -3.190 0.000) 5.528 27.675 ( 4.515 -3.190 0.000) 5.528 27.675 ( -4.515 3.190 0.000) 5.528 27.675 ( 4.515 3.190 0.000) 5.528 28.488 ( -0.018 -9.859 0.000) 9.859 28.488 ( 0.018 -9.859 0.000) 9.859 28.488 ( -0.018 9.859 0.000) 9.859 28.488 ( 0.018 9.859 0.000) 9.859 28.897 ( -0.204 -6.248 0.000) 6.251 28.897 ( 0.204 -6.248 0.000) 6.251 28.897 ( -0.204 6.248 0.000) 6.251 28.897 ( 0.204 6.248 0.000) 6.251 29.486 ( -1.085 -4.077 0.000) 4.219 29.486 ( 1.085 -4.077 0.000) 4.219 29.486 ( -1.085 4.077 0.000) 4.219 29.486 ( 1.085 4.077 0.000) 4.219 30.115 ( -4.916 -4.512 0.000) 6.673 30.115 ( 4.916 -4.512 0.000) 6.673 30.115 ( -4.916 4.512 0.000) 6.673 30.115 ( 4.916 4.512 0.000) 6.673 32.070 ( -3.513 -3.552 0.000) 4.996 32.070 ( 3.513 -3.552 0.000) 4.996 32.070 ( -3.513 3.552 0.000) 4.996 32.070 ( 3.513 3.552 0.000) 4.996 32.608 ( -3.866 -8.964 0.000) 9.762 32.608 ( 3.866 -8.964 0.000) 9.762 32.608 ( -3.866 8.964 0.000) 9.762 32.608 ( 3.866 8.964 0.000) 9.762 33.145 ( -1.559 -3.897 0.000) 4.197 33.145 ( 1.559 -3.897 0.000) 4.197 33.145 ( -1.559 3.897 0.000) 4.197 33.145 ( 1.559 3.897 0.000) 4.197 34.473 ( -0.353 -16.823 0.000) 16.827 34.473 ( 0.353 -16.823 0.000) 16.827 34.473 ( -0.353 16.823 0.000) 16.827 34.473 ( 0.353 16.823 0.000) 16.827 ======================= Grid point 49 (17/64) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.000 0.000 37.919) 37.919 0.771 ( 0.000 0.000 41.290) 41.290 1.169 ( 0.000 0.000 58.454) 58.454 2.271 ( 0.000 0.000 -4.963) 4.963 2.348 ( 0.000 0.000 -2.112) 2.112 2.545 ( 0.000 0.000 -3.724) 3.724 2.693 ( 0.000 0.000 -1.501) 1.501 2.730 ( 0.000 0.000 10.760) 10.760 2.774 ( 0.000 0.000 3.658) 3.658 2.809 ( 0.000 0.000 -9.043) 9.043 2.809 ( 0.000 0.000 4.665) 4.665 2.974 ( 0.000 0.000 13.775) 13.775 3.149 ( 0.000 0.000 0.451) 0.451 3.343 ( 0.000 0.000 -3.107) 3.107 3.654 ( 0.000 0.000 0.140) 0.140 3.870 ( 0.000 0.000 -8.922) 8.922 3.954 ( 0.000 0.000 3.545) 3.545 4.001 ( 0.000 0.000 -1.691) 1.691 4.240 ( 0.000 0.000 0.421) 0.421 4.357 ( 0.000 0.000 8.807) 8.807 4.480 ( 0.000 0.000 5.687) 5.687 4.795 ( 0.000 0.000 -2.891) 2.891 4.824 ( 0.000 0.000 1.283) 1.283 4.829 ( 0.000 0.000 3.938) 3.938 5.111 ( 0.000 0.000 -22.011) 22.011 5.313 ( 0.000 0.000 7.912) 7.912 5.477 ( 0.000 0.000 3.438) 3.438 5.699 ( 0.000 0.000 -8.652) 8.652 5.959 ( 0.000 0.000 21.506) 21.506 6.043 ( 0.000 0.000 -8.346) 8.346 6.073 ( 0.000 0.000 -2.708) 2.708 6.089 ( 0.000 0.000 3.052) 3.052 6.258 ( 0.000 0.000 30.957) 30.957 6.930 ( 0.000 0.000 2.755) 2.755 7.032 ( 0.000 0.000 -10.871) 10.871 7.142 ( 0.000 0.000 5.323) 5.323 7.181 ( 0.000 0.000 3.090) 3.090 7.223 ( 0.000 0.000 -3.900) 3.900 7.892 ( 0.000 0.000 5.362) 5.362 7.942 ( 0.000 0.000 -31.478) 31.478 7.976 ( 0.000 0.000 -18.880) 18.880 8.133 ( 0.000 0.000 4.570) 4.570 8.392 ( 0.000 0.000 -9.720) 9.720 8.592 ( 0.000 0.000 -14.605) 14.605 8.674 ( 0.000 0.000 -6.670) 6.670 8.697 ( 0.000 0.000 -0.657) 0.657 8.975 ( 0.000 0.000 -17.711) 17.711 9.075 ( 0.000 0.000 22.662) 22.662 9.432 ( 0.000 0.000 7.824) 7.824 9.569 ( 0.000 0.000 3.232) 3.232 9.619 ( 0.000 0.000 37.289) 37.289 9.745 ( 0.000 0.000 0.466) 0.466 9.799 ( 0.000 0.000 8.966) 8.966 10.461 ( 0.000 0.000 2.475) 2.475 10.470 ( 0.000 0.000 -17.466) 17.466 10.680 ( 0.000 0.000 4.816) 4.816 11.156 ( 0.000 0.000 4.695) 4.695 11.208 ( 0.000 0.000 -12.252) 12.252 11.303 ( 0.000 0.000 -13.217) 13.217 11.658 ( 0.000 0.000 -4.752) 4.752 11.877 ( 0.000 0.000 -3.070) 3.070 11.885 ( 0.000 0.000 -1.828) 1.828 11.966 ( 0.000 0.000 -1.381) 1.381 12.024 ( 0.000 0.000 -5.859) 5.859 12.176 ( 0.000 0.000 8.513) 8.513 12.532 ( 0.000 0.000 21.330) 21.330 12.687 ( 0.000 0.000 1.168) 1.168 12.795 ( 0.000 0.000 -9.566) 9.566 12.852 ( 0.000 0.000 -1.126) 1.126 13.095 ( 0.000 0.000 0.982) 0.982 13.166 ( 0.000 0.000 -3.919) 3.919 13.274 ( 0.000 0.000 -3.779) 3.779 13.356 ( 0.000 0.000 20.044) 20.044 13.483 ( 0.000 0.000 -6.602) 6.602 13.812 ( 0.000 0.000 7.859) 7.859 14.610 ( 0.000 0.000 -10.184) 10.184 14.865 ( 0.000 0.000 -5.382) 5.382 15.035 ( 0.000 0.000 -2.360) 2.360 15.301 ( 0.000 0.000 0.305) 0.305 15.331 ( 0.000 0.000 8.483) 8.483 15.389 ( 0.000 0.000 -4.589) 4.589 15.557 ( 0.000 0.000 -12.892) 12.892 15.854 ( 0.000 0.000 -0.121) 0.121 16.010 ( 0.000 0.000 -6.344) 6.344 16.518 ( 0.000 0.000 1.692) 1.692 16.577 ( 0.000 0.000 1.072) 1.072 16.742 ( 0.000 0.000 -4.852) 4.852 16.819 ( 0.000 0.000 -9.353) 9.353 16.934 ( 0.000 0.000 4.828) 4.828 17.108 ( 0.000 0.000 4.025) 4.025 17.132 ( 0.000 0.000 9.183) 9.183 17.491 ( 0.000 0.000 -3.659) 3.659 17.558 ( 0.000 0.000 -0.936) 0.936 17.643 ( 0.000 0.000 1.493) 1.493 18.021 ( 0.000 0.000 3.729) 3.729 18.326 ( 0.000 0.000 -0.168) 0.168 19.327 ( 0.000 0.000 -0.273) 0.273 19.598 ( 0.000 0.000 -7.207) 7.207 20.383 ( 0.000 0.000 -4.535) 4.535 20.851 ( 0.000 0.000 0.378) 0.378 20.856 ( 0.000 0.000 3.367) 3.367 21.164 ( 0.000 0.000 18.639) 18.639 21.265 ( 0.000 0.000 -17.833) 17.833 22.218 ( 0.000 0.000 -0.454) 0.454 22.708 ( 0.000 0.000 11.531) 11.531 24.069 ( 0.000 0.000 16.457) 16.457 24.483 ( 0.000 0.000 -20.677) 20.677 25.355 ( 0.000 0.000 5.919) 5.919 25.775 ( 0.000 0.000 -7.162) 7.162 25.833 ( 0.000 0.000 7.300) 7.300 25.854 ( 0.000 0.000 2.657) 2.657 25.906 ( 0.000 0.000 1.905) 1.905 26.298 ( 0.000 0.000 -10.128) 10.128 26.496 ( 0.000 0.000 2.234) 2.234 26.878 ( 0.000 0.000 4.866) 4.866 27.100 ( 0.000 0.000 -5.786) 5.786 27.485 ( 0.000 0.000 4.528) 4.528 27.563 ( 0.000 0.000 -3.129) 3.129 27.586 ( 0.000 0.000 -0.956) 0.956 27.640 ( 0.000 0.000 13.277) 13.277 27.651 ( 0.000 0.000 3.312) 3.312 27.908 ( 0.000 0.000 -4.880) 4.880 27.933 ( 0.000 0.000 -2.583) 2.583 28.076 ( 0.000 0.000 -8.675) 8.675 28.124 ( 0.000 0.000 -3.015) 3.015 28.289 ( 0.000 0.000 13.512) 13.512 28.567 ( 0.000 0.000 1.390) 1.390 28.709 ( 0.000 0.000 0.263) 0.263 28.774 ( 0.000 0.000 -0.153) 0.153 29.168 ( 0.000 0.000 -9.800) 9.800 29.195 ( 0.000 0.000 1.163) 1.163 29.205 ( 0.000 0.000 0.814) 0.814 29.372 ( 0.000 0.000 -1.526) 1.526 29.552 ( 0.000 0.000 -8.594) 8.594 29.732 ( 0.000 0.000 2.481) 2.481 29.910 ( 0.000 0.000 -0.954) 0.954 29.916 ( 0.000 0.000 5.222) 5.222 29.916 ( 0.000 0.000 -0.172) 0.172 30.140 ( 0.000 0.000 0.166) 0.166 30.187 ( 0.000 0.000 -0.756) 0.756 31.301 ( 0.000 0.000 13.355) 13.355 31.326 ( 0.000 0.000 6.717) 6.717 32.000 ( 0.000 0.000 -4.341) 4.341 32.234 ( 0.000 0.000 5.723) 5.723 32.551 ( 0.000 0.000 -5.718) 5.718 32.966 ( 0.000 0.000 -10.011) 10.011 33.069 ( 0.000 0.000 -2.895) 2.895 33.194 ( 0.000 0.000 5.109) 5.109 33.236 ( 0.000 0.000 -3.738) 3.738 33.334 ( 0.000 0.000 -1.872) 1.872 33.378 ( 0.000 0.000 7.086) 7.086 33.517 ( 0.000 0.000 -0.458) 0.458 33.675 ( 0.000 0.000 -0.946) 0.946 33.917 ( 0.000 0.000 -2.214) 2.214 34.323 ( 0.000 0.000 3.232) 3.232 34.964 ( 0.000 0.000 -6.304) 6.304 ======================= Grid point 50 (18/64) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 26.529 0.000 24.797) 36.314 1.093 ( 26.505 0.000 27.797) 38.408 1.414 ( 20.426 0.000 41.763) 46.490 2.301 ( 3.344 0.000 -4.909) 5.940 2.360 ( 1.014 0.000 -2.026) 2.266 2.564 ( 2.561 0.000 -2.337) 3.467 2.643 ( -3.884 0.000 0.321) 3.898 2.682 ( -7.863 0.000 4.270) 8.947 2.751 ( 1.528 0.000 7.209) 7.369 2.766 ( -5.324 0.000 4.851) 7.202 2.827 ( 0.956 0.000 5.546) 5.628 2.842 ( -0.473 0.000 -2.430) 2.475 3.339 ( 6.902 0.000 0.538) 6.923 3.397 ( 5.652 0.000 -2.862) 6.335 3.601 ( -2.927 0.000 -2.859) 4.091 3.887 ( -6.032 0.000 1.833) 6.305 3.912 ( 0.469 0.000 -5.884) 5.903 4.150 ( 6.833 0.000 1.333) 6.962 4.241 ( 0.955 0.000 6.907) 6.973 4.290 ( -4.084 0.000 6.176) 7.404 4.430 ( -1.814 0.000 0.285) 1.836 4.805 ( 0.557 0.000 -1.953) 2.031 4.836 ( 0.376 0.000 4.108) 4.125 4.939 ( 6.599 0.000 -2.008) 6.898 5.127 ( -4.664 0.000 -14.125) 14.875 5.352 ( -18.253 0.000 0.328) 18.256 5.353 ( -3.625 0.000 -0.933) 3.743 5.419 ( -8.545 0.000 4.767) 9.785 5.735 ( -2.517 0.000 -1.368) 2.864 5.813 ( -1.854 0.000 18.848) 18.939 6.096 ( -0.045 0.000 15.153) 15.153 6.455 ( 13.340 0.000 -14.302) 19.558 6.521 ( 11.643 0.000 11.712) 16.515 6.868 ( -1.939 0.000 2.218) 2.947 6.976 ( -5.878 0.000 3.075) 6.634 7.079 ( -0.573 0.000 -6.127) 6.154 7.124 ( -5.012 0.000 -3.049) 5.867 7.387 ( 13.921 0.000 3.229) 14.290 7.549 ( -26.001 0.000 -18.154) 31.712 7.886 ( -1.036 0.000 6.102) 6.189 7.937 ( -7.884 0.000 -12.386) 14.682 8.099 ( -2.933 0.000 2.224) 3.681 8.517 ( -6.132 0.000 -9.280) 11.123 8.564 ( -1.012 0.000 -2.649) 2.836 8.720 ( 2.137 0.000 -3.214) 3.859 8.742 ( 2.576 0.000 -3.064) 4.003 8.788 ( -1.699 0.000 -2.392) 2.934 9.211 ( 8.797 0.000 -13.995) 16.530 9.506 ( 6.107 0.000 16.203) 17.316 9.616 ( 4.754 0.000 1.673) 5.040 9.698 ( 5.213 0.000 26.427) 26.937 9.807 ( 5.382 0.000 1.471) 5.580 9.847 ( 5.464 0.000 5.514) 7.763 10.436 ( -3.371 0.000 1.029) 3.525 10.594 ( 3.491 0.000 1.195) 3.689 10.684 ( 9.551 0.000 -9.508) 13.476 11.169 ( 0.965 0.000 3.387) 3.521 11.207 ( 2.734 0.000 -19.108) 19.302 11.472 ( 10.601 0.000 -10.652) 15.028 11.641 ( -3.925 0.000 -6.361) 7.475 11.802 ( -1.952 0.000 2.173) 2.921 11.888 ( -6.830 0.000 0.575) 6.855 11.947 ( 2.707 0.000 -3.401) 4.347 12.002 ( -1.480 0.000 -2.899) 3.255 12.169 ( 0.223 0.000 8.450) 8.453 12.494 ( -3.920 0.000 17.748) 18.176 12.560 ( -13.605 0.000 13.658) 19.278 12.639 ( -4.334 0.000 2.185) 4.854 12.805 ( 1.003 0.000 -9.968) 10.019 13.104 ( -5.280 0.000 -3.478) 6.323 13.161 ( 1.002 0.000 -3.519) 3.658 13.242 ( -0.376 0.000 -3.100) 3.123 13.309 ( -4.693 0.000 18.413) 19.001 13.463 ( -1.477 0.000 1.031) 1.801 13.709 ( 2.803 0.000 4.172) 5.026 14.514 ( -8.688 0.000 -10.408) 13.558 14.884 ( 1.752 0.000 -4.666) 4.984 15.072 ( 0.775 0.000 -1.845) 2.002 15.213 ( -6.185 0.000 2.857) 6.813 15.283 ( -4.296 0.000 6.302) 7.627 15.369 ( -1.819 0.000 -2.542) 3.125 15.641 ( 6.553 0.000 -11.039) 12.837 15.921 ( -8.176 0.000 -4.854) 9.508 15.921 ( 5.289 0.000 -3.258) 6.211 16.530 ( 1.251 0.000 1.547) 1.990 16.573 ( -0.290 0.000 1.271) 1.304 16.692 ( -3.008 0.000 -3.333) 4.490 16.855 ( -0.685 0.000 -2.572) 2.662 16.917 ( 1.350 0.000 -1.056) 1.714 17.120 ( 0.602 0.000 2.505) 2.576 17.154 ( 1.663 0.000 7.664) 7.842 17.252 ( -6.911 0.000 6.121) 9.232 17.583 ( 1.884 0.000 -0.631) 1.987 17.641 ( 0.517 0.000 1.445) 1.535 18.366 ( 11.028 0.000 -1.456) 11.123 18.566 ( 15.415 0.000 -12.416) 19.794 19.363 ( 3.924 0.000 0.135) 3.926 19.687 ( 8.067 0.000 -8.322) 11.590 20.405 ( 0.435 0.000 -5.006) 5.025 20.547 ( -16.767 0.000 6.710) 18.060 20.901 ( -14.706 0.000 4.420) 15.356 20.956 ( -2.693 0.000 -2.942) 3.988 21.463 ( 11.333 0.000 0.068) 11.333 22.170 ( -3.963 0.000 -1.090) 4.110 22.786 ( 8.313 0.000 12.939) 15.380 23.978 ( -8.222 0.000 13.940) 16.184 24.633 ( 12.802 0.000 -19.940) 23.696 25.394 ( 2.664 0.000 5.323) 5.953 25.659 ( -8.146 0.000 -12.944) 15.294 25.778 ( -4.973 0.000 7.208) 8.757 25.890 ( 2.145 0.000 9.310) 9.554 25.974 ( 4.637 0.000 2.387) 5.215 26.336 ( 3.281 0.000 -10.086) 10.606 26.501 ( 1.349 0.000 1.192) 1.801 26.899 ( 2.045 0.000 4.151) 4.627 27.108 ( 2.739 0.000 -6.040) 6.632 27.424 ( -5.504 0.000 0.411) 5.519 27.550 ( 0.356 0.000 -1.491) 1.533 27.570 ( 0.355 0.000 0.641) 0.733 27.641 ( -0.926 0.000 3.213) 3.344 27.654 ( -0.879 0.000 14.882) 14.908 27.912 ( 0.502 0.000 -3.562) 3.597 27.918 ( -5.873 0.000 -4.979) 7.699 28.089 ( 1.500 0.000 -1.533) 2.145 28.098 ( -2.432 0.000 -2.338) 3.373 28.280 ( -9.769 0.000 19.433) 21.750 28.446 ( 9.184 0.000 7.764) 12.026 28.711 ( 0.192 0.000 0.188) 0.269 28.772 ( -0.243 0.000 -0.210) 0.321 29.183 ( 1.641 0.000 -8.278) 8.439 29.203 ( 0.753 0.000 0.577) 0.948 29.344 ( 2.771 0.000 -11.686) 12.010 29.355 ( -1.613 0.000 -1.550) 2.237 29.539 ( -1.491 0.000 -8.821) 8.946 29.750 ( 1.725 0.000 2.314) 2.886 29.833 ( -4.354 0.000 2.661) 5.103 29.906 ( -0.489 0.000 -0.571) 0.752 29.916 ( -1.013 0.000 0.689) 1.225 30.144 ( 0.384 0.000 -0.015) 0.384 30.184 ( -0.259 0.000 -0.737) 0.781 31.313 ( 0.204 0.000 2.278) 2.287 31.355 ( 5.159 0.000 12.565) 13.583 31.935 ( -6.786 0.000 -3.614) 7.688 32.148 ( -7.695 0.000 5.377) 9.388 32.599 ( 4.002 0.000 -5.265) 6.614 32.786 ( -13.812 0.000 14.440) 19.982 32.934 ( -2.683 0.000 -8.420) 8.837 33.057 ( -0.951 0.000 -3.433) 3.563 33.169 ( -10.424 0.000 9.928) 14.395 33.200 ( -3.258 0.000 -3.266) 4.613 33.442 ( 5.624 0.000 5.473) 7.847 33.546 ( 3.227 0.000 -6.586) 7.334 33.700 ( 1.915 0.000 -0.681) 2.033 33.790 ( -5.707 0.000 1.908) 6.017 34.563 ( 18.356 0.000 2.848) 18.576 35.463 ( 13.689 0.000 -22.891) 26.672 ======================= Grid point 51 (19/64) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 24.616 0.000 16.999) 29.915 1.682 ( 29.041 0.000 15.568) 32.951 1.850 ( 19.177 0.000 16.506) 25.302 2.332 ( -1.801 0.000 -4.433) 4.785 2.412 ( 3.305 0.000 -1.519) 3.637 2.532 ( -10.386 0.000 4.498) 11.318 2.563 ( -0.127 0.000 0.384) 0.404 2.660 ( 3.867 0.000 -1.089) 4.018 2.701 ( 2.063 0.000 7.687) 7.959 2.774 ( 1.089 0.000 7.153) 7.236 2.846 ( 0.632 0.000 7.994) 8.019 2.849 ( -0.072 0.000 -5.160) 5.161 3.419 ( 3.002 0.000 1.099) 3.197 3.507 ( -1.361 0.000 2.051) 2.462 3.558 ( 1.432 0.000 -9.532) 9.639 3.758 ( -1.852 0.000 -2.443) 3.066 3.830 ( -14.320 0.000 7.149) 16.005 4.002 ( 2.477 0.000 -0.057) 2.478 4.203 ( -2.706 0.000 8.486) 8.907 4.324 ( -7.542 0.000 7.432) 10.588 4.625 ( -21.932 0.000 -2.240) 22.046 4.626 ( -27.732 0.000 7.362) 28.693 4.705 ( 23.536 0.000 -0.002) 23.536 4.846 ( 2.022 0.000 -1.199) 2.351 4.900 ( -3.158 0.000 3.898) 5.017 5.244 ( 5.339 0.000 9.738) 11.106 5.480 ( 13.117 0.000 -18.829) 22.947 5.522 ( 5.539 0.000 1.949) 5.872 5.688 ( -2.777 0.000 -1.778) 3.297 5.834 ( 1.741 0.000 15.988) 16.082 6.110 ( -0.260 0.000 -3.295) 3.305 6.601 ( 2.148 0.000 0.142) 2.152 6.604 ( 3.916 0.000 -11.647) 12.288 6.812 ( -5.617 0.000 3.595) 6.669 6.888 ( -22.310 0.000 -10.477) 24.648 6.952 ( 4.038 0.000 -3.277) 5.201 7.069 ( -1.051 0.000 -12.699) 12.742 7.290 ( -0.035 0.000 7.389) 7.389 7.669 ( 12.486 0.000 8.243) 14.962 7.706 ( -7.762 0.000 3.107) 8.360 7.859 ( -1.292 0.000 6.967) 7.086 8.045 ( -1.008 0.000 -2.327) 2.536 8.253 ( -19.162 0.000 15.254) 24.492 8.352 ( -10.055 0.000 -2.986) 10.489 8.755 ( 1.733 0.000 0.421) 1.783 8.780 ( 1.132 0.000 0.682) 1.322 9.015 ( 13.987 0.000 -17.140) 22.123 9.332 ( 1.368 0.000 -15.259) 15.321 9.642 ( 6.297 0.000 11.345) 12.975 9.755 ( 8.072 0.000 -0.129) 8.073 9.768 ( 1.110 0.000 12.524) 12.573 9.919 ( 3.004 0.000 1.861) 3.534 9.983 ( 8.250 0.000 -0.070) 8.251 10.325 ( -7.083 0.000 -0.169) 7.085 10.673 ( 8.823 0.000 13.610) 16.220 10.984 ( 12.099 0.000 -15.094) 19.344 11.206 ( 3.252 0.000 3.059) 4.465 11.271 ( 1.854 0.000 -18.544) 18.636 11.482 ( -9.357 0.000 -1.282) 9.444 11.612 ( 2.429 0.000 -17.925) 18.089 11.744 ( -4.321 0.000 -1.657) 4.628 11.851 ( 4.915 0.000 -2.473) 5.502 11.978 ( 0.110 0.000 -2.609) 2.611 12.030 ( 3.468 0.000 3.629) 5.019 12.195 ( 2.200 0.000 8.771) 9.043 12.367 ( -6.875 0.000 12.993) 14.700 12.384 ( -6.187 0.000 8.937) 10.870 12.534 ( -5.818 0.000 5.544) 8.037 12.851 ( 3.939 0.000 -10.437) 11.155 13.007 ( -2.833 0.000 -0.348) 2.854 13.093 ( -5.741 0.000 -7.822) 9.703 13.172 ( -8.112 0.000 13.950) 16.137 13.304 ( 4.614 0.000 -1.111) 4.746 13.447 ( -1.013 0.000 0.398) 1.088 13.854 ( 9.596 0.000 -3.753) 10.304 14.300 ( -11.490 0.000 -9.494) 14.905 14.932 ( 3.022 0.000 -1.164) 3.238 15.076 ( 0.067 0.000 1.055) 1.057 15.097 ( -5.034 0.000 5.117) 7.178 15.186 ( -5.003 0.000 2.939) 5.802 15.351 ( 1.885 0.000 0.133) 1.889 15.708 ( -11.934 0.000 -1.981) 12.097 15.793 ( 8.092 0.000 -8.622) 11.824 16.000 ( 1.041 0.000 -7.659) 7.729 16.558 ( 1.225 0.000 1.665) 2.067 16.573 ( 0.226 0.000 1.683) 1.698 16.656 ( 0.057 0.000 0.716) 0.719 16.785 ( -4.394 0.000 2.451) 5.031 16.991 ( 4.222 0.000 -5.450) 6.894 17.115 ( -1.275 0.000 -0.366) 1.327 17.174 ( 0.222 0.000 4.245) 4.250 17.194 ( -0.364 0.000 4.501) 4.516 17.620 ( 1.650 0.000 0.428) 1.704 17.651 ( 0.261 0.000 1.629) 1.649 18.585 ( 9.999 0.000 -1.135) 10.063 18.744 ( 3.618 0.000 -5.967) 6.978 19.498 ( 9.357 0.000 0.546) 9.373 19.858 ( 4.396 0.000 -10.532) 11.412 20.263 ( -6.632 0.000 9.762) 11.802 20.404 ( 0.569 0.000 -1.525) 1.628 20.635 ( -11.119 0.000 2.770) 11.459 20.758 ( -15.228 0.000 -3.917) 15.723 21.693 ( 10.958 0.000 -0.577) 10.973 22.062 ( -6.713 0.000 -2.069) 7.025 23.047 ( 16.515 0.000 13.667) 21.436 23.747 ( -14.375 0.000 12.893) 19.310 24.933 ( 15.476 0.000 -22.012) 26.908 25.457 ( 3.704 0.000 6.248) 7.263 25.470 ( -10.471 0.000 -19.128) 21.807 25.661 ( -5.997 0.000 7.061) 9.264 25.952 ( 3.866 0.000 12.479) 13.064 26.043 ( 1.589 0.000 8.607) 8.753 26.413 ( 3.998 0.000 -10.168) 10.926 26.521 ( -0.239 0.000 -4.374) 4.381 26.967 ( 4.932 0.000 1.886) 5.280 27.232 ( 9.132 0.000 -1.750) 9.298 27.278 ( -8.455 0.000 -1.811) 8.647 27.577 ( 0.453 0.000 2.914) 2.949 27.582 ( 0.846 0.000 4.706) 4.781 27.617 ( -1.340 0.000 3.237) 3.504 27.620 ( -1.730 0.000 12.116) 12.239 27.765 ( -7.616 0.000 -6.001) 9.696 27.931 ( 1.435 0.000 -1.507) 2.081 28.036 ( -3.350 0.000 -1.094) 3.524 28.076 ( -2.095 0.000 5.481) 5.868 28.113 ( -5.699 0.000 16.937) 17.870 28.720 ( 0.771 0.000 -0.004) 0.771 28.724 ( 15.132 0.000 2.168) 15.287 28.762 ( -0.824 0.000 -0.314) 0.882 29.202 ( -3.266 0.000 -1.681) 3.673 29.226 ( 1.546 0.000 -0.530) 1.634 29.312 ( -2.383 0.000 -1.524) 2.829 29.321 ( -0.174 0.000 -14.121) 14.122 29.488 ( -3.561 0.000 -11.367) 11.912 29.789 ( -0.023 0.000 -0.474) 0.475 29.796 ( 2.601 0.000 1.837) 3.184 29.875 ( -2.816 0.000 0.280) 2.830 29.887 ( -1.407 0.000 0.271) 1.433 30.154 ( 0.588 0.000 -0.352) 0.685 30.176 ( -0.450 0.000 -0.683) 0.818 31.362 ( 4.896 0.000 -1.286) 5.062 31.504 ( 9.296 0.000 10.559) 14.068 31.740 ( -11.394 0.000 -2.511) 11.667 31.952 ( -11.041 0.000 6.200) 12.663 32.692 ( 4.872 0.000 -5.590) 7.415 32.698 ( 1.514 0.000 6.982) 7.145 32.870 ( -3.547 0.000 -7.112) 7.947 32.954 ( -9.925 0.000 5.224) 11.216 33.043 ( -0.093 0.000 -3.306) 3.307 33.125 ( -3.707 0.000 -2.891) 4.701 33.573 ( 6.509 0.000 3.316) 7.305 33.613 ( 3.401 0.000 -2.993) 4.531 33.724 ( -0.158 0.000 0.165) 0.228 33.724 ( -1.894 0.000 1.231) 2.259 34.944 ( 18.115 0.000 1.440) 18.172 35.493 ( -6.635 0.000 -9.230) 11.367 ======================= Grid point 52 (20/64) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -9.319 0.000 11.000) 14.417 1.973 ( 9.319 0.000 11.000) 14.417 2.206 ( -21.471 0.000 8.872) 23.232 2.206 ( 21.471 0.000 8.872) 23.232 2.369 ( -6.063 0.000 -1.650) 6.283 2.369 ( 6.063 0.000 -1.650) 6.283 2.651 ( -5.145 0.000 -0.940) 5.230 2.651 ( 5.145 0.000 -0.940) 5.230 2.803 ( -4.924 0.000 -0.206) 4.928 2.803 ( 4.924 0.000 -0.206) 4.928 2.827 ( -3.021 0.000 7.848) 8.410 2.827 ( 3.021 0.000 7.848) 8.410 3.483 ( -2.943 0.000 -5.900) 6.593 3.483 ( 2.943 0.000 -5.900) 6.593 3.542 ( -10.609 0.000 6.535) 12.461 3.542 ( 10.609 0.000 6.535) 12.461 3.994 ( -19.287 0.000 -0.731) 19.301 3.994 ( 19.287 0.000 -0.731) 19.301 4.204 ( -16.147 0.000 -0.546) 16.156 4.204 ( 16.147 0.000 -0.546) 16.156 4.263 ( -5.105 0.000 16.077) 16.868 4.263 ( 5.105 0.000 16.077) 16.868 4.879 ( -0.992 0.000 0.807) 1.278 4.879 ( 0.992 0.000 0.807) 1.278 5.135 ( -14.931 0.000 2.178) 15.089 5.135 ( 14.931 0.000 2.178) 15.089 5.618 ( -4.038 0.000 -0.424) 4.060 5.618 ( 4.038 0.000 -0.424) 4.060 5.758 ( -10.630 0.000 2.421) 10.902 5.758 ( 10.630 0.000 2.421) 10.902 6.280 ( -21.080 0.000 -18.678) 28.164 6.280 ( 21.080 0.000 -18.678) 28.164 6.694 ( -5.363 0.000 -2.780) 6.041 6.694 ( 5.363 0.000 -2.780) 6.041 7.001 ( -21.079 0.000 9.464) 23.106 7.001 ( 21.079 0.000 9.464) 23.106 7.030 ( -2.911 0.000 -10.627) 11.018 7.030 ( 2.911 0.000 -10.627) 11.018 7.826 ( -3.021 0.000 8.513) 9.034 7.826 ( 3.021 0.000 8.513) 9.034 7.875 ( -17.242 0.000 14.060) 22.248 7.875 ( 17.242 0.000 14.060) 22.248 8.135 ( -9.788 0.000 -2.268) 10.047 8.135 ( 9.788 0.000 -2.268) 10.047 8.784 ( -0.776 0.000 2.044) 2.186 8.784 ( 0.776 0.000 2.044) 2.186 9.254 ( -8.563 0.000 -14.029) 16.436 9.254 ( 8.563 0.000 -14.029) 16.436 9.741 ( -3.378 0.000 6.885) 7.669 9.741 ( 3.378 0.000 6.885) 7.669 9.897 ( -4.832 0.000 0.278) 4.840 9.897 ( 4.832 0.000 0.278) 4.840 10.162 ( -8.770 0.000 -1.259) 8.860 10.162 ( 8.770 0.000 -1.259) 8.860 10.926 ( -13.260 0.000 8.295) 15.641 10.926 ( 13.260 0.000 8.295) 15.641 11.311 ( -7.019 0.000 1.846) 7.258 11.311 ( 7.019 0.000 1.846) 7.258 11.443 ( -13.113 0.000 -28.830) 31.672 11.443 ( 13.113 0.000 -28.830) 31.672 11.916 ( -13.357 0.000 2.526) 13.594 11.916 ( 13.357 0.000 2.526) 13.594 11.945 ( -3.457 0.000 -3.892) 5.205 11.945 ( 3.457 0.000 -3.892) 5.205 12.267 ( -5.049 0.000 9.083) 10.392 12.267 ( 5.049 0.000 9.083) 10.392 12.393 ( -7.550 0.000 8.885) 11.660 12.393 ( 7.550 0.000 8.885) 11.660 12.962 ( -6.546 0.000 -10.013) 11.963 12.962 ( 6.546 0.000 -10.013) 11.963 13.027 ( -4.867 0.000 7.078) 8.591 13.027 ( 4.867 0.000 7.078) 8.591 13.396 ( -3.976 0.000 -0.971) 4.093 13.396 ( 3.976 0.000 -0.971) 4.093 14.068 ( -11.164 0.000 -7.167) 13.266 14.068 ( 11.164 0.000 -7.167) 13.266 15.005 ( -4.087 0.000 3.260) 5.228 15.005 ( 4.087 0.000 3.260) 5.228 15.100 ( -2.834 0.000 1.934) 3.431 15.100 ( 2.834 0.000 1.934) 3.431 15.476 ( -9.784 0.000 0.144) 9.785 15.476 ( 9.784 0.000 0.144) 9.785 15.945 ( -5.959 0.000 -8.322) 10.235 15.945 ( 5.959 0.000 -8.322) 10.235 16.574 ( -0.298 0.000 1.830) 1.854 16.574 ( 0.298 0.000 1.830) 1.854 16.699 ( -3.711 0.000 2.197) 4.313 16.699 ( 3.711 0.000 2.197) 4.313 17.069 ( -3.198 0.000 -3.309) 4.602 17.069 ( 3.198 0.000 -3.309) 4.602 17.185 ( -0.719 0.000 3.487) 3.561 17.185 ( 0.719 0.000 3.487) 3.561 17.646 ( -0.800 0.000 1.403) 1.615 17.646 ( 0.800 0.000 1.403) 1.615 18.736 ( -4.255 0.000 -2.907) 5.153 18.736 ( 4.255 0.000 -2.907) 5.153 19.726 ( -12.168 0.000 -1.370) 12.245 19.726 ( 12.168 0.000 -1.370) 12.245 20.416 ( -16.259 0.000 -0.416) 16.264 20.416 ( 16.259 0.000 -0.416) 16.264 20.463 ( -5.644 0.000 1.180) 5.766 20.463 ( 5.644 0.000 1.180) 5.766 21.899 ( -9.220 0.000 -1.846) 9.403 21.899 ( 9.220 0.000 -1.846) 9.403 23.410 ( -18.142 0.000 13.129) 22.394 23.410 ( 18.142 0.000 13.129) 22.394 25.229 ( -13.343 0.000 -22.549) 26.201 25.229 ( 13.343 0.000 -22.549) 26.201 25.547 ( -5.111 0.000 6.803) 8.509 25.547 ( 5.111 0.000 6.803) 8.509 26.028 ( -2.890 0.000 12.813) 13.134 26.028 ( 2.890 0.000 12.813) 13.134 26.486 ( -2.930 0.000 -8.639) 9.122 26.486 ( 2.930 0.000 -8.639) 9.122 27.103 ( -8.169 0.000 -0.825) 8.211 27.103 ( 8.169 0.000 -0.825) 8.211 27.446 ( -10.776 0.000 6.560) 12.616 27.446 ( 10.776 0.000 6.560) 12.616 27.592 ( -1.048 0.000 3.358) 3.518 27.592 ( 1.048 0.000 3.358) 3.518 27.661 ( -3.306 0.000 -0.024) 3.306 27.661 ( 3.306 0.000 -0.024) 3.306 27.973 ( -2.680 0.000 -0.608) 2.748 27.973 ( 2.680 0.000 -0.608) 2.748 28.050 ( -0.542 0.000 11.328) 11.341 28.050 ( 0.542 0.000 11.328) 11.341 28.740 ( -1.150 0.000 -0.240) 1.175 28.740 ( 1.150 0.000 -0.240) 1.175 29.014 ( -12.795 0.000 0.156) 12.796 29.014 ( 12.795 0.000 0.156) 12.796 29.265 ( -2.202 0.000 -1.268) 2.541 29.265 ( 2.202 0.000 -1.268) 2.541 29.396 ( -5.132 0.000 -13.667) 14.598 29.396 ( 5.132 0.000 -13.667) 14.598 29.817 ( -2.447 0.000 -0.130) 2.450 29.817 ( 2.447 0.000 -0.130) 2.450 29.848 ( -2.352 0.000 1.131) 2.610 29.848 ( 2.352 0.000 1.131) 2.610 30.166 ( -0.575 0.000 -0.577) 0.815 30.166 ( 0.575 0.000 -0.577) 0.815 31.515 ( -9.920 0.000 -2.236) 10.169 31.515 ( 9.920 0.000 -2.236) 10.169 31.719 ( -11.450 0.000 8.165) 14.062 31.719 ( 11.450 0.000 8.165) 14.062 32.784 ( -6.545 0.000 4.628) 8.016 32.784 ( 6.545 0.000 4.628) 8.016 32.789 ( -4.459 0.000 -6.397) 7.798 32.789 ( 4.459 0.000 -6.397) 7.798 33.063 ( -2.110 0.000 -2.897) 3.584 33.063 ( 2.110 0.000 -2.897) 3.584 33.679 ( -2.814 0.000 -0.546) 2.867 33.679 ( 2.814 0.000 -0.546) 2.867 33.683 ( -3.921 0.000 1.549) 4.216 33.683 ( 3.921 0.000 1.549) 4.216 35.275 ( -14.037 0.000 -2.241) 14.215 35.275 ( 14.037 0.000 -2.241) 14.215 ======================= Grid point 56 (21/64) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.000 21.608 27.366) 34.868 1.060 ( 0.000 24.630 25.044) 35.127 1.766 ( 0.000 45.437 33.210) 56.280 2.268 ( 0.000 -0.384 -3.420) 3.442 2.329 ( 0.000 -1.456 -4.316) 4.554 2.480 ( 0.000 -3.582 -2.261) 4.236 2.640 ( 0.000 -3.489 -5.198) 6.261 2.668 ( 0.000 -3.355 4.719) 5.791 2.733 ( 0.000 -6.920 2.986) 7.537 2.812 ( 0.000 1.090 9.366) 9.429 2.822 ( 0.000 -0.934 -3.773) 3.887 2.979 ( 0.000 -0.908 7.317) 7.373 3.125 ( 0.000 -3.047 -1.232) 3.287 3.389 ( 0.000 3.033 -1.462) 3.367 3.550 ( 0.000 -10.026 -0.022) 10.026 3.723 ( 0.000 -16.270 11.657) 20.015 3.850 ( 0.000 -8.711 4.509) 9.809 4.023 ( 0.000 13.981 -4.334) 14.637 4.120 ( 0.000 0.274 -3.448) 3.459 4.466 ( 0.000 -2.607 13.970) 14.211 4.651 ( 0.000 -8.931 -7.665) 11.769 4.793 ( 0.000 12.381 -3.392) 12.837 4.810 ( 0.000 -3.329 6.734) 7.512 4.949 ( 0.000 11.555 -0.314) 11.559 5.099 ( 0.000 -12.745 -7.849) 14.968 5.318 ( 0.000 3.622 6.814) 7.717 5.348 ( 0.000 -6.149 -0.160) 6.151 5.518 ( 0.000 -29.333 2.694) 29.457 5.636 ( 0.000 -14.191 -2.845) 14.473 5.814 ( 0.000 -12.440 6.139) 13.873 5.857 ( 0.000 1.619 9.051) 9.195 6.151 ( 0.000 -2.572 3.080) 4.013 6.355 ( 0.000 8.092 8.836) 11.981 6.661 ( 0.000 -31.877 -4.184) 32.150 6.938 ( 0.000 -11.714 -1.330) 11.789 6.962 ( 0.000 -7.849 6.003) 9.881 7.125 ( 0.000 -8.928 -10.828) 14.034 7.182 ( 0.000 1.802 4.243) 4.609 7.801 ( 0.000 -13.390 12.826) 18.542 8.013 ( 0.000 6.389 -29.777) 30.454 8.081 ( 0.000 5.347 -7.324) 9.068 8.421 ( 0.000 8.489 -9.243) 12.550 8.598 ( 0.000 7.003 -5.243) 8.748 8.599 ( 0.000 3.930 -16.663) 17.120 8.663 ( 0.000 16.810 0.115) 16.811 8.717 ( 0.000 3.301 -6.174) 7.001 8.931 ( 0.000 -1.096 10.390) 10.447 8.931 ( 0.000 -1.782 -20.451) 20.528 9.251 ( 0.000 -29.723 6.325) 30.389 9.438 ( 0.000 -12.729 10.128) 16.267 9.624 ( 0.000 2.750 33.187) 33.300 9.754 ( 0.000 4.406 6.701) 8.020 9.898 ( 0.000 21.297 3.621) 21.603 10.311 ( 0.000 -12.364 -10.164) 16.005 10.543 ( 0.000 4.388 3.160) 5.408 10.868 ( 0.000 8.760 -3.091) 9.289 10.946 ( 0.000 -16.689 4.610) 17.314 11.266 ( 0.000 2.469 -4.858) 5.450 11.296 ( 0.000 -3.868 -5.266) 6.533 11.364 ( 0.000 -14.988 1.773) 15.093 11.831 ( 0.000 -2.909 -4.037) 4.976 11.889 ( 0.000 -0.382 -9.018) 9.026 12.061 ( 0.000 5.760 -2.838) 6.422 12.108 ( 0.000 8.065 -0.263) 8.070 12.494 ( 0.000 -3.217 15.343) 15.677 12.539 ( 0.000 7.805 7.923) 11.122 12.707 ( 0.000 6.444 -5.972) 8.786 12.826 ( 0.000 2.457 -8.613) 8.957 12.908 ( 0.000 10.078 9.122) 13.594 13.074 ( 0.000 -3.121 -6.078) 6.832 13.129 ( 0.000 8.841 6.037) 10.705 13.263 ( 0.000 5.225 -4.855) 7.133 13.603 ( 0.000 3.352 9.572) 10.142 13.711 ( 0.000 19.737 18.764) 27.233 13.930 ( 0.000 30.398 -6.542) 31.094 14.587 ( 0.000 -2.439 -8.020) 8.382 14.970 ( 0.000 -5.916 -3.374) 6.811 15.013 ( 0.000 10.696 -7.895) 13.294 15.227 ( 0.000 -9.441 -0.721) 9.469 15.261 ( 0.000 -6.330 7.525) 9.834 15.397 ( 0.000 3.787 -1.990) 4.278 15.597 ( 0.000 3.527 -12.414) 12.905 15.844 ( 0.000 -2.432 -0.627) 2.511 15.948 ( 0.000 -5.845 -7.139) 9.226 16.471 ( 0.000 -2.828 0.920) 2.974 16.508 ( 0.000 -2.808 2.631) 3.848 16.724 ( 0.000 -4.268 -2.628) 5.012 16.826 ( 0.000 -2.588 -5.419) 6.005 17.064 ( 0.000 -3.297 4.168) 5.314 17.148 ( 0.000 11.449 -2.145) 11.649 17.188 ( 0.000 4.178 3.466) 5.428 17.278 ( 0.000 -11.761 -0.856) 11.792 17.404 ( 0.000 -12.631 0.313) 12.634 17.600 ( 0.000 -2.239 -1.342) 2.611 17.995 ( 0.000 -2.308 2.341) 3.287 18.107 ( 0.000 -17.015 1.407) 17.073 19.347 ( 0.000 2.460 0.564) 2.524 19.793 ( 0.000 6.432 -12.871) 14.389 20.500 ( 0.000 9.614 -6.067) 11.368 20.926 ( 0.000 -3.662 0.275) 3.672 20.958 ( 0.000 4.836 3.625) 6.044 21.125 ( 0.000 -2.118 -2.910) 3.599 21.127 ( 0.000 2.486 15.295) 15.496 22.072 ( 0.000 -9.102 -5.826) 10.807 23.122 ( 0.000 31.376 12.564) 33.798 24.096 ( 0.000 2.638 12.618) 12.891 24.613 ( 0.000 9.813 -17.913) 20.425 25.193 ( 0.000 -13.187 0.703) 13.206 25.698 ( 0.000 -7.376 4.218) 8.497 25.865 ( 0.000 4.089 5.666) 6.988 25.994 ( 0.000 6.722 -3.450) 7.555 25.997 ( 0.000 2.870 -5.605) 6.297 26.285 ( 0.000 0.120 -8.723) 8.724 26.527 ( 0.000 3.920 -2.753) 4.790 26.933 ( 0.000 5.077 5.230) 7.289 26.990 ( 0.000 -7.901 -3.224) 8.534 27.460 ( 0.000 -3.422 -0.631) 3.479 27.557 ( 0.000 -4.288 8.578) 9.590 27.587 ( 0.000 1.224 5.124) 5.268 27.661 ( 0.000 0.942 2.932) 3.080 27.725 ( 0.000 10.300 -1.486) 10.407 27.893 ( 0.000 -3.199 -2.767) 4.229 27.964 ( 0.000 4.574 -2.599) 5.261 27.982 ( 0.000 -8.139 9.042) 12.165 28.072 ( 0.000 -0.198 -7.977) 7.980 28.363 ( 0.000 4.449 10.637) 11.530 28.505 ( 0.000 -7.085 10.587) 12.739 28.544 ( 0.000 -2.120 1.174) 2.424 28.698 ( 0.000 -1.329 0.294) 1.361 29.075 ( 0.000 -8.359 -9.442) 12.610 29.210 ( 0.000 2.588 -2.000) 3.270 29.235 ( 0.000 -2.957 -3.467) 4.557 29.346 ( 0.000 -4.477 -4.775) 6.545 29.487 ( 0.000 -3.144 -3.898) 5.008 29.734 ( 0.000 -13.124 12.403) 18.057 29.760 ( 0.000 -1.860 2.748) 3.318 29.847 ( 0.000 -2.123 4.269) 4.768 29.929 ( 0.000 1.399 -0.496) 1.485 30.014 ( 0.000 3.538 4.947) 6.082 30.269 ( 0.000 6.054 -1.055) 6.146 31.434 ( 0.000 12.222 11.029) 16.462 31.911 ( 0.000 20.922 -26.599) 33.841 31.915 ( 0.000 -6.349 -2.632) 6.873 32.264 ( 0.000 2.758 4.929) 5.649 32.559 ( 0.000 0.002 -3.841) 3.841 32.872 ( 0.000 -10.328 2.549) 10.638 33.002 ( 0.000 -3.459 -6.031) 6.952 33.175 ( 0.000 -0.611 -2.301) 2.381 33.182 ( 0.000 -4.255 -0.084) 4.256 33.339 ( 0.000 1.902 7.336) 7.579 33.373 ( 0.000 3.186 -9.782) 10.288 33.679 ( 0.000 8.373 -6.694) 10.720 33.780 ( 0.000 5.345 -1.014) 5.441 33.876 ( 0.000 -0.762 0.917) 1.192 34.260 ( 0.000 -5.782 3.648) 6.836 34.712 ( 0.000 -14.133 10.637) 17.688 ======================= Grid point 57 (22/64) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 13.755 14.763 24.735) 31.921 1.308 ( 18.963 17.410 20.334) 32.805 1.939 ( 14.281 37.450 23.128) 46.275 2.286 ( 2.694 -1.467 -3.109) 4.367 2.317 ( -1.461 -2.923 -4.696) 5.721 2.515 ( 3.376 -3.225 -1.549) 4.919 2.600 ( -3.258 -2.617 -2.581) 4.912 2.623 ( -4.731 -5.549 0.579) 7.315 2.744 ( 0.522 -5.757 3.740) 6.885 2.794 ( -0.725 0.341 7.009) 7.055 2.824 ( -4.298 0.546 7.390) 8.567 2.854 ( -0.996 3.145 0.888) 3.416 3.227 ( 4.697 -8.810 0.395) 9.992 3.417 ( 4.935 1.788 -0.525) 5.276 3.450 ( -5.260 -12.314 1.049) 13.431 3.745 ( -1.294 -12.217 2.994) 12.645 3.814 ( -2.301 -6.856 3.679) 8.114 4.090 ( -3.913 -0.719 0.925) 4.085 4.242 ( 4.290 0.740 1.085) 4.486 4.380 ( 3.529 4.878 11.099) 12.626 4.645 ( -1.794 -3.472 -5.398) 6.664 4.801 ( -1.870 13.608 -4.595) 14.484 4.840 ( -7.606 -2.988 2.321) 8.495 4.875 ( 3.763 -6.059 3.935) 8.146 5.028 ( -3.595 -2.773 2.290) 5.085 5.285 ( -4.829 -4.584 2.798) 7.222 5.366 ( 0.227 -1.091 -9.999) 10.061 5.412 ( -5.931 -1.738 4.640) 7.728 5.620 ( 2.076 -7.527 -1.985) 8.056 5.854 ( 0.701 -1.550 4.325) 4.648 5.955 ( 8.041 -21.261 8.587) 24.298 6.091 ( 0.759 -6.183 11.277) 12.883 6.504 ( 1.665 -10.285 -4.311) 11.275 6.670 ( 5.779 -18.771 -2.549) 19.805 6.827 ( -6.824 -7.693 0.868) 10.320 6.985 ( 1.778 -13.065 2.724) 13.464 7.038 ( -4.093 -1.884 2.045) 4.948 7.268 ( 0.171 -9.718 -6.702) 11.806 7.721 ( -8.230 4.246 -2.641) 9.630 7.882 ( -4.022 -0.110 -1.971) 4.480 8.052 ( -5.337 6.846 -5.190) 10.114 8.401 ( -7.173 5.069 -6.499) 10.926 8.462 ( -5.283 9.612 -11.420) 15.834 8.599 ( -7.829 -7.961 -2.813) 11.514 8.643 ( -3.086 -5.099 -4.594) 7.525 8.681 ( -5.924 11.972 4.968) 14.252 8.869 ( 9.548 10.748 -8.975) 16.948 9.043 ( 9.640 -7.669 -16.401) 20.512 9.405 ( 8.386 -27.595 2.616) 28.960 9.531 ( 5.780 0.031 10.011) 11.560 9.681 ( 5.027 0.640 23.154) 23.702 9.799 ( 3.688 2.493 10.228) 11.155 9.915 ( 2.078 16.331 2.102) 16.596 10.326 ( -0.692 -7.229 -2.307) 7.620 10.633 ( 9.989 -0.819 -5.967) 11.665 10.868 ( 2.054 9.430 1.405) 9.753 10.989 ( 3.586 -13.715 6.640) 15.654 11.240 ( 1.873 -0.640 -6.289) 6.593 11.397 ( 1.990 -10.201 -0.153) 10.394 11.399 ( 3.542 -9.546 -7.000) 12.356 11.773 ( -0.325 1.023 -1.660) 1.976 11.942 ( -0.136 1.301 -6.398) 6.530 12.035 ( -1.565 2.762 -8.730) 9.289 12.106 ( 1.002 8.245 1.101) 8.378 12.457 ( -3.101 3.432 12.879) 13.685 12.526 ( -2.458 4.218 9.508) 10.688 12.662 ( -3.647 8.312 -4.739) 10.239 12.756 ( -9.072 17.658 8.112) 21.445 12.856 ( 2.717 2.696 -9.127) 9.897 13.048 ( -4.115 9.014 -4.059) 10.708 13.144 ( 2.221 0.783 1.287) 2.684 13.320 ( 3.979 3.488 -1.677) 5.551 13.566 ( -8.100 14.578 18.696) 25.053 13.588 ( -3.093 13.477 4.890) 14.666 13.934 ( 0.156 25.263 -6.608) 26.113 14.485 ( -9.045 -2.699 -8.755) 12.874 14.976 ( 0.825 -1.412 -1.573) 2.269 15.001 ( -0.550 3.426 -5.744) 6.710 15.187 ( -3.741 -8.192 1.104) 9.073 15.228 ( -3.052 -4.456 6.085) 8.136 15.329 ( -4.781 1.385 0.005) 4.978 15.678 ( 5.718 2.573 -10.823) 12.508 15.857 ( -8.144 -5.688 -5.440) 11.326 15.894 ( 3.906 -3.880 -3.112) 6.324 16.493 ( 2.126 -2.096 1.004) 3.150 16.525 ( 1.881 -0.998 2.430) 3.231 16.732 ( 0.322 -0.210 -2.597) 2.625 16.876 ( 4.419 -2.794 -5.222) 7.389 17.006 ( -7.227 5.690 1.632) 9.342 17.068 ( -0.484 -2.224 4.477) 5.023 17.164 ( -5.419 -4.685 1.619) 7.344 17.223 ( -0.513 2.030 3.290) 3.900 17.467 ( 4.350 -8.605 -0.724) 9.669 17.592 ( 0.432 -2.631 0.226) 2.676 18.184 ( 7.528 -16.752 0.512) 18.373 18.293 ( 16.048 -16.005 -5.567) 23.339 19.395 ( 5.061 3.304 1.213) 6.164 19.836 ( 5.293 6.281 -8.470) 11.798 20.518 ( -0.449 8.484 -5.788) 10.280 20.670 ( -14.941 5.690 3.840) 16.442 20.856 ( -9.212 0.814 5.555) 10.788 21.056 ( -6.461 6.149 -0.306) 8.925 21.336 ( 11.832 -6.285 5.078) 14.327 22.035 ( -3.388 -9.192 -5.518) 11.243 23.167 ( 5.043 29.527 12.942) 32.631 24.038 ( -5.364 5.368 10.898) 13.280 24.735 ( 10.421 7.108 -17.657) 21.700 25.194 ( -0.166 -14.240 -0.953) 14.273 25.676 ( -2.018 -5.975 4.704) 7.868 25.835 ( -3.991 8.868 -4.898) 10.888 25.936 ( -0.145 4.617 6.074) 7.631 26.049 ( 1.929 1.781 -1.526) 3.037 26.345 ( 4.523 2.674 -7.386) 9.064 26.505 ( -0.478 2.166 -0.070) 2.220 26.935 ( 0.456 2.224 4.011) 4.609 27.004 ( 3.482 -6.694 -2.505) 7.950 27.475 ( 1.587 -2.282 -1.191) 3.024 27.501 ( -5.992 2.980 2.067) 7.004 27.569 ( 0.801 -3.013 8.697) 9.239 27.642 ( -1.863 0.527 3.117) 3.669 27.706 ( -2.105 5.349 3.267) 6.612 27.884 ( -4.223 -3.122 -3.790) 6.476 27.963 ( -0.762 -0.987 3.782) 3.982 27.966 ( -0.360 -1.309 3.222) 3.496 28.098 ( 1.284 0.033 -3.080) 3.337 28.327 ( -7.713 2.244 9.084) 12.126 28.464 ( 9.527 3.129 5.808) 11.588 28.691 ( 4.387 -5.959 -1.053) 7.474 28.699 ( 0.274 -1.462 0.223) 1.504 29.085 ( 1.265 -8.518 -7.931) 11.707 29.215 ( -0.530 -0.544 1.197) 1.418 29.256 ( 1.066 -5.377 -8.868) 10.425 29.337 ( -1.042 -3.577 -4.591) 5.912 29.474 ( -1.379 -3.248 -4.834) 5.985 29.693 ( -1.736 -9.753 4.832) 11.022 29.781 ( 1.307 -1.031 3.118) 3.534 29.856 ( -0.515 -3.168 2.464) 4.046 29.947 ( 1.117 2.590 -0.562) 2.876 30.036 ( 2.634 0.086 5.430) 6.035 30.262 ( -0.696 5.578 -0.996) 5.709 31.480 ( 4.454 11.546 10.329) 16.120 31.778 ( -9.321 21.682 -15.498) 28.234 31.892 ( -4.240 0.085 -4.713) 6.340 32.188 ( -7.597 4.178 4.981) 9.999 32.588 ( 2.468 -1.557 -1.695) 3.375 32.716 ( -8.400 -5.799 9.252) 13.776 32.963 ( -3.713 -7.414 4.192) 9.291 32.995 ( -4.653 4.379 -12.255) 13.820 33.154 ( -5.806 -0.700 0.218) 5.852 33.263 ( -9.634 3.653 -2.377) 10.574 33.356 ( 1.818 -5.829 0.225) 6.110 33.609 ( 2.532 1.194 -1.566) 3.208 33.705 ( -4.493 4.689 2.971) 7.141 33.903 ( 2.682 8.880 0.792) 9.310 34.503 ( 18.016 -5.557 2.704) 19.047 35.137 ( 18.597 -24.031 -7.476) 31.293 ======================= Grid point 58 (23/64) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 22.503 -2.452 16.873) 28.233 1.717 ( 19.365 9.442 13.892) 25.635 2.188 ( 4.398 14.553 4.044) 15.732 2.257 ( -1.631 -3.946 -1.518) 4.532 2.361 ( -0.475 -3.381 0.079) 3.415 2.479 ( -6.611 -3.090 -0.235) 7.302 2.553 ( 1.157 -1.450 -0.522) 1.927 2.610 ( 3.785 -5.010 -1.213) 6.395 2.751 ( 0.310 -3.271 5.322) 6.254 2.780 ( 1.373 2.287 6.291) 6.834 2.815 ( 1.540 0.492 8.776) 8.924 2.855 ( 0.092 -1.664 -1.448) 2.208 3.307 ( 5.638 -9.361 0.405) 10.935 3.377 ( -2.236 -10.588 -0.988) 10.867 3.512 ( -3.245 -4.050 0.931) 5.273 3.696 ( 6.297 -0.695 7.842) 10.081 3.820 ( -1.221 -6.312 1.815) 6.680 3.926 ( -8.651 4.106 1.081) 9.637 4.107 ( -5.910 -7.220 10.954) 14.389 4.490 ( -4.791 4.063 2.411) 6.729 4.542 ( -13.849 0.666 -1.037) 13.904 4.647 ( -23.861 -2.924 7.275) 25.116 4.789 ( 15.294 5.128 -1.827) 16.234 4.877 ( 3.424 5.297 -0.754) 6.353 4.988 ( 0.975 8.282 4.202) 9.338 5.217 ( 4.055 -4.381 10.810) 12.348 5.489 ( 10.175 -1.320 -12.124) 15.882 5.509 ( 6.425 -1.472 -2.583) 7.079 5.643 ( 1.001 -3.027 -4.095) 5.190 5.851 ( 0.375 -8.920 -1.930) 9.134 5.945 ( -4.935 -2.638 7.471) 9.334 6.248 ( 4.412 -27.337 -5.261) 28.186 6.486 ( 2.073 -16.831 11.685) 20.594 6.588 ( -10.317 -9.950 -8.340) 16.583 6.804 ( -1.539 -9.717 -5.844) 11.443 6.927 ( -3.672 7.095 5.070) 9.462 7.167 ( 0.208 -3.066 1.470) 3.406 7.193 ( 12.815 -23.047 4.573) 26.763 7.651 ( -7.248 8.823 -12.573) 16.984 7.696 ( -11.224 -10.126 7.845) 17.031 7.952 ( -1.500 7.436 3.545) 8.373 8.129 ( -14.425 0.386 6.867) 15.981 8.338 ( -5.081 12.965 -5.695) 15.045 8.439 ( -6.821 14.291 -3.069) 16.130 8.672 ( 3.464 -6.387 -2.410) 7.655 8.677 ( 1.921 -4.306 -3.991) 6.177 9.032 ( 7.955 -3.010 -13.600) 16.041 9.234 ( 4.627 -7.079 -15.138) 17.340 9.528 ( 4.693 -15.792 -0.577) 16.484 9.620 ( 3.423 -0.284 8.111) 8.809 9.774 ( 2.980 -1.256 14.446) 14.804 9.855 ( 0.405 -1.749 12.061) 12.194 10.004 ( 7.145 11.515 0.714) 13.571 10.271 ( -4.182 1.112 1.872) 4.715 10.882 ( 11.888 -9.682 -9.785) 18.188 10.978 ( 7.736 9.679 4.886) 13.319 11.091 ( 5.861 -8.048 6.494) 11.887 11.307 ( -7.109 -6.805 -7.797) 12.556 11.336 ( 5.566 -3.456 -5.661) 8.658 11.502 ( 5.568 -11.331 1.428) 12.705 11.815 ( -0.498 6.044 -9.961) 11.662 11.859 ( -4.165 0.801 -10.394) 11.227 12.049 ( 2.311 -2.356 -1.907) 3.812 12.153 ( 4.074 10.240 1.713) 11.153 12.356 ( -7.909 8.951 8.354) 14.576 12.415 ( -8.207 3.415 3.928) 9.719 12.575 ( -1.363 10.515 5.088) 11.760 12.660 ( -2.160 22.688 2.312) 22.907 12.937 ( 5.024 5.795 -6.675) 10.167 13.018 ( 1.946 8.821 -4.006) 9.882 13.144 ( -2.461 4.258 -0.258) 4.925 13.333 ( -8.550 11.266 8.170) 16.333 13.420 ( 1.128 11.292 1.435) 11.438 13.551 ( -2.176 9.178 2.992) 9.896 13.964 ( 3.503 13.464 -7.128) 15.632 14.274 ( -10.540 -1.831 -8.591) 13.721 14.989 ( 0.156 -4.741 1.303) 4.919 15.012 ( 1.947 3.941 -1.836) 4.764 15.092 ( -5.064 -7.930 1.145) 9.478 15.159 ( -3.835 2.843 5.305) 7.137 15.274 ( 1.365 -4.859 1.936) 5.405 15.631 ( -11.732 -6.632 -1.907) 13.611 15.814 ( 5.907 0.685 -8.392) 10.286 15.953 ( 0.943 -5.345 -6.220) 8.255 16.553 ( 3.368 0.863 1.173) 3.669 16.581 ( 3.252 2.204 1.149) 4.093 16.727 ( -0.421 4.462 -0.198) 4.486 16.870 ( -6.134 5.833 1.965) 8.690 16.979 ( 4.928 -2.537 -4.141) 6.918 17.060 ( -0.555 -5.806 1.935) 6.145 17.099 ( -0.897 -5.710 2.606) 6.341 17.193 ( -2.402 -0.247 3.461) 4.220 17.542 ( 2.961 -5.627 -0.606) 6.387 17.602 ( 0.075 -2.996 0.285) 3.010 18.357 ( 8.462 -18.860 -1.164) 20.704 18.497 ( 4.221 -18.197 -5.207) 19.392 19.568 ( 12.047 5.364 2.084) 13.351 19.998 ( 7.583 6.695 -7.166) 12.397 20.315 ( -12.020 3.023 7.435) 14.453 20.550 ( -1.268 9.006 -2.611) 9.462 20.679 ( -7.587 7.992 3.333) 11.513 20.830 ( -14.001 7.402 -0.596) 15.849 21.568 ( 10.873 -8.638 0.931) 13.918 21.935 ( -6.494 -9.853 -4.065) 12.481 23.342 ( 11.935 24.258 12.461) 29.769 23.876 ( -10.669 11.291 10.250) 18.611 24.962 ( 10.489 -0.382 -17.782) 20.648 25.181 ( -1.259 -14.756 -5.462) 15.785 25.635 ( -1.306 0.157 3.283) 3.536 25.731 ( -5.280 12.321 -7.603) 15.410 25.981 ( 3.548 2.685 10.737) 11.623 26.076 ( 0.348 1.126 3.683) 3.867 26.434 ( 3.912 3.431 -5.659) 7.688 26.512 ( 0.264 0.456 -2.711) 2.762 26.984 ( 4.589 0.954 2.305) 5.224 27.126 ( 6.715 -6.435 0.565) 9.318 27.368 ( -5.574 5.380 -1.286) 7.853 27.509 ( 0.699 -3.705 4.124) 5.588 27.575 ( -0.898 -1.614 3.499) 3.957 27.602 ( -2.130 -1.158 7.583) 7.961 27.664 ( -1.349 2.501 4.486) 5.310 27.762 ( -6.004 -0.517 -4.138) 7.310 27.924 ( -1.996 -5.553 8.564) 10.400 27.950 ( -1.942 -0.171 0.935) 2.163 28.102 ( 0.182 3.365 2.603) 4.258 28.207 ( -4.442 5.950 6.135) 9.632 28.700 ( 9.903 -1.606 1.098) 10.092 28.708 ( 2.982 -1.718 0.032) 3.442 28.734 ( 0.790 -2.895 -1.344) 3.288 29.106 ( -2.335 -8.344 -1.674) 8.825 29.178 ( -0.778 -6.734 -6.156) 9.157 29.264 ( -0.463 -4.509 -6.614) 8.018 29.315 ( -0.037 -0.015 -4.464) 4.464 29.429 ( -3.038 -2.556 -6.978) 8.029 29.689 ( 1.134 -7.524 -0.358) 7.617 29.784 ( -2.060 -6.590 1.694) 7.109 29.853 ( 1.637 3.611 1.256) 4.159 29.943 ( -1.332 4.712 0.164) 4.900 30.114 ( 4.199 -1.934 1.945) 5.016 30.238 ( -1.735 3.950 -0.834) 4.394 31.607 ( 7.482 9.457 7.594) 14.251 31.631 ( -3.475 20.049 -5.951) 21.201 31.772 ( -6.539 4.362 -0.794) 7.900 32.003 ( -9.754 4.660 6.163) 12.444 32.634 ( 2.874 -4.716 4.309) 7.005 32.706 ( 4.197 -0.463 -2.702) 5.013 32.863 ( -6.483 -6.819 4.379) 10.378 32.904 ( -4.828 2.185 -7.604) 9.268 33.052 ( -2.832 -0.180 -3.128) 4.224 33.114 ( -5.068 -1.202 -4.817) 7.095 33.395 ( 2.161 -9.842 -1.144) 10.141 33.528 ( -4.896 -8.622 0.641) 9.935 33.804 ( 7.425 11.223 2.287) 13.650 33.951 ( 0.974 11.992 1.732) 12.156 34.861 ( 16.325 -7.725 1.461) 18.120 35.285 ( -1.672 -18.184 -5.422) 19.049 ======================= Grid point 59 (24/64) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( -12.850 -6.572 12.259) 18.936 1.911 ( 12.850 -6.572 12.259) 18.936 2.136 ( -9.020 -1.662 0.105) 9.173 2.136 ( 9.020 -1.662 0.105) 9.173 2.388 ( -5.571 0.049 0.116) 5.572 2.388 ( 5.571 0.049 0.116) 5.572 2.623 ( -2.699 -3.347 -0.815) 4.377 2.623 ( 2.699 -3.347 -0.815) 4.377 2.781 ( -1.760 -3.022 5.146) 6.222 2.781 ( 1.760 -3.022 5.146) 6.222 2.853 ( -1.401 0.615 2.206) 2.685 2.853 ( 1.401 0.615 2.206) 2.685 3.379 ( -4.312 -6.313 1.239) 7.745 3.379 ( 4.312 -6.313 1.239) 7.745 3.545 ( -15.254 -0.465 1.389) 15.324 3.545 ( 15.254 -0.465 1.389) 15.324 3.929 ( -4.407 -2.781 5.486) 7.567 3.929 ( 4.407 -2.781 5.486) 7.567 4.122 ( -16.814 2.084 5.788) 17.904 4.122 ( 16.814 2.084 5.788) 17.904 4.433 ( -1.185 3.414 5.360) 6.464 4.433 ( 1.185 3.414 5.360) 6.464 4.909 ( -1.483 3.596 -0.201) 3.895 4.909 ( 1.483 3.596 -0.201) 3.895 5.162 ( -9.563 1.027 5.547) 11.103 5.162 ( 9.563 1.027 5.547) 11.103 5.591 ( -1.571 -0.774 -1.511) 2.312 5.591 ( 1.571 -0.774 -1.511) 2.312 5.780 ( -9.220 -3.423 -4.580) 10.849 5.780 ( 9.220 -3.423 -4.580) 10.849 6.029 ( -16.805 -13.991 -10.602) 24.302 6.029 ( 16.805 -13.991 -10.602) 24.302 6.530 ( -2.312 -22.876 2.387) 23.116 6.530 ( 2.312 -22.876 2.387) 23.116 6.844 ( -5.036 2.262 5.011) 7.456 6.844 ( 5.036 2.262 5.011) 7.456 7.282 ( -14.481 2.638 1.688) 14.816 7.282 ( 14.481 2.638 1.688) 14.816 7.537 ( -14.181 -19.307 1.769) 24.020 7.537 ( 14.181 -19.307 1.769) 24.020 7.955 ( -2.654 5.082 4.136) 7.069 7.955 ( 2.654 5.082 4.136) 7.069 8.322 ( -3.526 18.453 -3.574) 19.124 8.322 ( 3.526 18.453 -3.574) 19.124 8.708 ( -0.288 -5.298 -1.448) 5.499 8.708 ( 0.288 -5.298 -1.448) 5.499 9.192 ( -6.711 -9.549 -15.071) 19.062 9.192 ( 6.711 -9.549 -15.071) 19.062 9.625 ( -3.346 -5.942 0.828) 6.869 9.625 ( 3.346 -5.942 0.828) 6.869 9.825 ( -2.424 -2.269 13.762) 14.157 9.825 ( 2.424 -2.269 13.762) 14.157 10.159 ( -6.959 7.053 1.292) 9.992 10.159 ( 6.959 7.053 1.292) 9.992 11.066 ( -4.418 -12.308 0.000) 13.076 11.066 ( 4.418 -12.308 0.000) 13.076 11.165 ( -4.190 5.499 -1.368) 7.047 11.165 ( 4.190 5.499 -1.368) 7.047 11.493 ( -7.466 -7.262 -4.415) 11.312 11.493 ( 7.466 -7.262 -4.415) 11.312 11.805 ( -2.654 2.167 -11.718) 12.209 11.805 ( 2.654 2.167 -11.718) 12.209 12.148 ( -8.895 2.517 0.632) 9.266 12.148 ( 8.895 2.517 0.632) 9.266 12.274 ( -6.424 7.658 6.017) 11.668 12.274 ( 6.424 7.658 6.017) 11.668 12.606 ( -2.965 18.211 3.522) 18.784 12.606 ( 2.965 18.211 3.522) 18.784 13.048 ( -5.388 7.239 -4.903) 10.270 13.048 ( 5.388 7.239 -4.903) 10.270 13.137 ( -8.316 11.563 2.683) 14.493 13.137 ( 8.316 11.563 2.683) 14.493 13.487 ( -3.866 8.744 1.244) 9.641 13.487 ( 3.866 8.744 1.244) 9.641 14.083 ( -7.948 2.938 -7.792) 11.512 14.083 ( 7.948 2.938 -7.792) 11.512 15.008 ( -2.444 -7.336 1.755) 7.929 15.008 ( 2.444 -7.336 1.755) 7.929 15.076 ( -3.861 4.862 2.760) 6.795 15.076 ( 3.861 4.862 2.760) 6.795 15.399 ( -9.922 -6.383 0.839) 11.827 15.399 ( 9.922 -6.383 0.839) 11.827 15.921 ( -3.893 -3.304 -7.286) 8.897 15.921 ( 3.893 -3.304 -7.286) 8.897 16.608 ( -1.426 3.933 0.556) 4.221 16.608 ( 1.426 3.933 0.556) 4.221 16.760 ( -4.260 4.609 1.971) 6.578 16.760 ( 4.260 4.609 1.971) 6.578 17.042 ( -1.316 -4.876 -2.210) 5.513 17.042 ( 1.316 -4.876 -2.210) 5.513 17.130 ( -3.326 -3.184 3.581) 5.833 17.130 ( 3.326 -3.184 3.581) 5.833 17.587 ( -1.494 -4.007 -0.013) 4.277 17.587 ( 1.494 -4.007 -0.013) 4.277 18.491 ( -4.101 -19.062 -3.259) 19.769 18.491 ( 4.101 -19.062 -3.259) 19.769 19.859 ( -15.364 8.031 0.682) 17.350 19.859 ( 15.364 8.031 0.682) 17.350 20.403 ( -13.667 -1.497 1.629) 13.845 20.403 ( 13.667 -1.497 1.629) 13.845 20.626 ( -3.910 15.189 -0.039) 15.684 20.626 ( 3.910 15.189 -0.039) 15.684 21.774 ( -9.215 -9.877 -1.936) 13.646 21.774 ( 9.215 -9.877 -1.936) 13.646 23.618 ( -14.103 17.792 11.126) 25.283 23.618 ( 14.103 17.792 11.126) 25.283 25.124 ( -5.064 -10.352 -12.948) 17.333 25.124 ( 5.064 -10.352 -12.948) 17.333 25.646 ( -2.573 8.916 -2.333) 9.569 25.646 ( 2.573 8.916 -2.333) 9.569 26.051 ( -2.764 1.625 8.642) 9.217 26.051 ( 2.764 1.625 8.642) 9.217 26.496 ( -1.982 2.056 -4.598) 5.412 26.496 ( 1.982 2.056 -4.598) 5.412 27.110 ( -6.774 0.004 0.697) 6.810 27.110 ( 6.774 0.004 0.697) 6.810 27.425 ( -8.987 -1.210 5.243) 10.475 27.425 ( 8.987 -1.210 5.243) 10.475 27.555 ( -0.398 -2.624 1.349) 2.977 27.555 ( 0.398 -2.624 1.349) 2.977 27.687 ( -2.396 1.536 2.544) 3.817 27.687 ( 2.396 1.536 2.544) 3.817 27.909 ( -0.966 -4.346 5.440) 7.029 27.909 ( 0.966 -4.346 5.440) 7.029 28.134 ( -2.826 6.425 4.208) 8.184 28.134 ( 2.826 6.425 4.208) 8.184 28.723 ( -0.888 -2.078 -0.779) 2.390 28.723 ( 0.888 -2.078 -0.779) 2.390 28.948 ( -10.816 -5.412 0.026) 12.095 28.948 ( 10.816 -5.412 0.026) 12.095 29.223 ( -2.921 -6.699 -6.351) 9.683 29.223 ( 2.921 -6.699 -6.351) 9.683 29.358 ( -3.487 -0.347 -7.163) 7.974 29.358 ( 3.487 -0.347 -7.163) 7.974 29.729 ( -2.633 -6.884 -0.016) 7.371 29.729 ( 2.633 -6.884 -0.016) 7.371 29.902 ( -2.524 4.569 1.004) 5.316 29.902 ( 2.524 4.569 1.004) 5.316 30.189 ( -3.093 1.034 -0.245) 3.270 30.189 ( 3.093 1.034 -0.245) 3.270 31.638 ( -3.677 11.292 -2.865) 12.216 31.638 ( 3.677 11.292 -2.865) 12.216 31.804 ( -9.441 7.742 7.626) 14.395 31.804 ( 9.441 7.742 7.626) 14.395 32.726 ( -6.034 -5.181 3.885) 8.851 32.726 ( 6.034 -5.181 3.885) 8.851 32.805 ( -5.052 0.933 -5.543) 7.557 32.805 ( 5.052 0.933 -5.543) 7.557 33.044 ( -1.717 -1.920 -4.141) 4.877 33.044 ( 1.717 -1.920 -4.141) 4.877 33.449 ( -3.132 -11.298 -0.580) 11.739 33.449 ( 3.132 -11.298 -0.580) 11.739 33.923 ( -3.820 12.590 2.306) 13.357 33.923 ( 3.820 12.590 2.306) 13.357 35.144 ( -11.094 -11.980 -1.303) 16.380 35.144 ( 11.094 -11.980 -1.303) 16.380 ======================= Grid point 63 (25/64) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.000 23.274 15.992) 28.238 1.606 ( 0.000 26.323 5.420) 26.875 2.145 ( 0.000 -7.832 2.404) 8.193 2.318 ( 0.000 0.678 -3.795) 3.855 2.441 ( 0.000 2.679 -2.546) 3.696 2.481 ( 0.000 -14.456 -8.057) 16.549 2.581 ( 0.000 -2.376 2.744) 3.630 2.624 ( 0.000 -0.155 0.313) 0.349 2.651 ( 0.000 21.041 2.497) 21.188 2.762 ( 0.000 -5.311 -0.521) 5.337 2.812 ( 0.000 -2.248 9.070) 9.345 3.008 ( 0.000 6.433 8.566) 10.713 3.027 ( 0.000 -5.873 -2.129) 6.247 3.314 ( 0.000 -10.889 1.800) 11.037 3.364 ( 0.000 -10.459 14.764) 18.093 3.599 ( 0.000 -15.669 11.667) 19.536 3.663 ( 0.000 24.575 6.571) 25.438 4.151 ( 0.000 -1.113 1.970) 2.262 4.305 ( 0.000 -7.426 5.421) 9.194 4.336 ( 0.000 5.304 0.959) 5.390 4.441 ( 0.000 -16.567 2.956) 16.829 4.563 ( 0.000 -2.776 -1.786) 3.301 4.855 ( 0.000 -1.785 -1.043) 2.067 4.866 ( 0.000 -4.778 6.075) 7.729 5.026 ( 0.000 -5.905 3.492) 6.860 5.171 ( 0.000 -10.523 -3.437) 11.070 5.262 ( 0.000 4.546 8.317) 9.478 5.338 ( 0.000 -16.266 0.950) 16.293 5.533 ( 0.000 12.973 -1.274) 13.035 5.755 ( 0.000 0.179 -1.188) 1.202 5.933 ( 0.000 6.859 3.937) 7.909 5.977 ( 0.000 -23.343 -3.371) 23.585 6.162 ( 0.000 -0.311 0.510) 0.598 6.386 ( 0.000 -8.603 -0.157) 8.605 6.655 ( 0.000 -14.578 6.338) 15.896 6.815 ( 0.000 -8.721 4.581) 9.851 6.963 ( 0.000 -0.046 -9.853) 9.853 7.180 ( 0.000 -1.805 2.438) 3.034 7.416 ( 0.000 -14.039 13.227) 19.288 8.050 ( 0.000 -19.770 -13.979) 24.213 8.163 ( 0.000 5.848 -5.203) 7.828 8.330 ( 0.000 -18.492 -14.570) 23.542 8.479 ( 0.000 -5.470 -19.823) 20.564 8.509 ( 0.000 -8.037 -7.743) 11.160 8.710 ( 0.000 0.953 -4.510) 4.610 8.793 ( 0.000 -6.735 -13.008) 14.648 8.923 ( 0.000 20.201 -11.122) 23.060 9.252 ( 0.000 24.187 5.587) 24.824 9.304 ( 0.000 -0.077 10.727) 10.727 9.430 ( 0.000 22.042 0.103) 22.042 9.757 ( 0.000 9.986 26.678) 28.486 9.907 ( 0.000 8.407 8.085) 11.664 10.105 ( 0.000 -5.672 -0.146) 5.674 10.267 ( 0.000 14.465 0.711) 14.483 10.530 ( 0.000 -9.336 4.854) 10.523 10.599 ( 0.000 -10.954 3.480) 11.493 10.803 ( 0.000 -11.920 -2.004) 12.087 10.983 ( 0.000 -19.378 3.621) 19.713 11.232 ( 0.000 -6.193 -2.209) 6.576 11.246 ( 0.000 -4.557 1.475) 4.790 11.836 ( 0.000 3.112 -4.441) 5.423 11.872 ( 0.000 0.111 -14.213) 14.214 12.256 ( 0.000 11.524 -5.833) 12.916 12.293 ( 0.000 8.277 7.587) 11.228 12.475 ( 0.000 1.287 6.101) 6.235 12.574 ( 0.000 -0.540 7.339) 7.359 12.800 ( 0.000 -0.648 10.899) 10.919 12.857 ( 0.000 -2.278 3.363) 4.061 12.927 ( 0.000 -0.923 -6.381) 6.448 13.035 ( 0.000 -0.333 -13.591) 13.596 13.457 ( 0.000 21.865 5.627) 22.578 13.611 ( 0.000 21.718 3.713) 22.033 13.806 ( 0.000 14.759 -1.727) 14.860 14.238 ( 0.000 25.217 6.120) 25.949 14.381 ( 0.000 -3.439 -9.290) 9.906 14.604 ( 0.000 16.236 0.316) 16.239 14.841 ( 0.000 -5.455 -6.160) 8.228 14.963 ( 0.000 -14.115 0.404) 14.121 15.104 ( 0.000 -7.398 5.658) 9.314 15.224 ( 0.000 7.457 -5.452) 9.238 15.511 ( 0.000 5.916 -0.600) 5.947 15.649 ( 0.000 -0.865 -7.163) 7.215 15.765 ( 0.000 -2.112 -5.357) 5.758 15.798 ( 0.000 -7.347 -9.688) 12.159 16.456 ( 0.000 2.207 1.274) 2.548 16.507 ( 0.000 -0.220 2.932) 2.940 16.556 ( 0.000 -9.578 0.638) 9.599 16.712 ( 0.000 -6.972 1.423) 7.116 16.935 ( 0.000 -7.367 -2.374) 7.740 17.066 ( 0.000 -10.416 -2.278) 10.662 17.187 ( 0.000 -4.796 5.309) 7.155 17.291 ( 0.000 3.319 0.524) 3.360 17.302 ( 0.000 5.411 -0.316) 5.420 17.649 ( 0.000 6.522 -7.063) 9.613 17.711 ( 0.000 -19.995 2.986) 20.216 17.930 ( 0.000 -4.431 -1.811) 4.787 19.447 ( 0.000 7.442 1.951) 7.694 19.790 ( 0.000 -5.292 -3.341) 6.259 20.594 ( 0.000 -2.519 -1.392) 2.878 20.686 ( 0.000 -11.582 1.233) 11.648 21.088 ( 0.000 15.064 5.728) 16.116 21.282 ( 0.000 9.839 1.648) 9.976 21.322 ( 0.000 10.101 4.820) 11.192 21.846 ( 0.000 -14.218 -5.344) 15.189 23.793 ( 0.000 32.264 11.291) 34.183 24.211 ( 0.000 9.752 5.231) 11.067 24.654 ( 0.000 -9.931 -8.606) 13.141 24.923 ( 0.000 -13.817 1.598) 13.909 25.624 ( 0.000 4.156 -2.509) 4.855 25.952 ( 0.000 -4.770 -2.739) 5.500 25.965 ( 0.000 5.729 9.518) 11.109 26.149 ( 0.000 8.225 -7.071) 10.847 26.238 ( 0.000 -5.145 -0.021) 5.145 26.536 ( 0.000 -7.094 -14.226) 15.897 26.932 ( 0.000 4.494 4.167) 6.129 27.055 ( 0.000 5.578 6.988) 8.942 27.359 ( 0.000 -5.009 -3.314) 6.006 27.457 ( 0.000 -5.217 4.825) 7.106 27.638 ( 0.000 3.142 8.110) 8.698 27.690 ( 0.000 1.953 2.238) 2.970 27.783 ( 0.000 -4.391 3.752) 5.776 27.824 ( 0.000 -3.955 2.644) 4.757 27.988 ( 0.000 6.422 -2.215) 6.793 28.079 ( 0.000 0.804 -5.444) 5.503 28.144 ( 0.000 13.721 -1.065) 13.762 28.394 ( 0.000 1.074 9.437) 9.498 28.486 ( 0.000 -3.522 0.636) 3.579 28.576 ( 0.000 9.326 -0.994) 9.379 28.644 ( 0.000 -4.518 0.059) 4.518 28.877 ( 0.000 -9.550 -8.141) 12.549 29.076 ( 0.000 -10.766 0.064) 10.766 29.167 ( 0.000 -11.445 -4.529) 12.308 29.285 ( 0.000 4.650 -2.060) 5.086 29.481 ( 0.000 1.182 0.214) 1.201 29.566 ( 0.000 -4.122 6.392) 7.606 29.590 ( 0.000 -10.197 3.204) 10.688 29.908 ( 0.000 3.958 1.203) 4.137 29.958 ( 0.000 1.177 -0.117) 1.183 30.136 ( 0.000 7.375 1.395) 7.506 30.350 ( 0.000 0.538 -1.973) 2.045 31.727 ( 0.000 12.372 1.370) 12.448 31.868 ( 0.000 6.779 6.725) 9.549 32.049 ( 0.000 -3.466 -10.154) 10.730 32.343 ( 0.000 4.914 3.345) 5.944 32.520 ( 0.000 -5.886 -2.413) 6.362 32.598 ( 0.000 -13.949 5.760) 15.092 32.953 ( 0.000 -0.638 -1.254) 1.407 33.085 ( 0.000 -5.093 0.457) 5.113 33.233 ( 0.000 5.779 -11.420) 12.799 33.427 ( 0.000 0.783 -16.794) 16.812 33.427 ( 0.000 6.090 -0.446) 6.106 33.694 ( 0.000 -7.324 -3.238) 8.008 33.819 ( 0.000 5.856 -6.254) 8.568 34.021 ( 0.000 5.171 -0.670) 5.214 34.133 ( 0.000 -2.498 11.726) 11.989 34.478 ( 0.000 -10.007 13.106) 16.489 ======================= Grid point 64 (26/64) ======================= q-point: ( 0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 6.051 24.081 12.974) 28.015 1.721 ( 10.470 21.154 5.594) 24.257 2.199 ( 3.597 -7.165 -0.290) 8.022 2.276 ( -4.052 -1.296 -2.329) 4.850 2.436 ( -0.386 -3.496 -2.749) 4.464 2.459 ( -2.659 -8.880 -7.931) 12.199 2.543 ( -3.744 -4.558 -0.677) 5.938 2.596 ( -2.685 4.612 0.779) 5.393 2.645 ( -0.074 10.112 3.694) 10.766 2.727 ( -1.722 -7.830 -0.173) 8.019 2.792 ( -1.500 -1.582 8.138) 8.425 2.909 ( -5.983 0.285 3.422) 6.898 3.072 ( 1.897 -3.213 2.890) 4.720 3.210 ( -3.192 -8.268 7.026) 11.310 3.485 ( 9.424 -2.823 12.977) 16.285 3.537 ( -4.331 -6.210 10.580) 13.010 3.739 ( 4.994 13.700 5.550) 15.602 4.110 ( -3.691 1.464 1.630) 4.292 4.186 ( -5.192 -1.304 5.640) 7.776 4.441 ( 1.034 -4.184 0.098) 4.311 4.569 ( 9.073 -19.391 8.620) 23.079 4.669 ( 9.776 7.137 -4.921) 13.066 4.809 ( -6.382 -3.057 8.109) 10.762 4.927 ( 2.339 -3.328 -3.053) 5.086 5.019 ( -1.848 -3.913 1.176) 4.484 5.063 ( 2.577 -6.678 2.325) 7.526 5.285 ( -4.853 -5.771 -3.943) 8.509 5.384 ( 2.846 -12.404 3.681) 13.248 5.519 ( 0.444 11.361 2.047) 11.553 5.712 ( -2.191 -1.364 1.772) 3.131 5.918 ( -0.338 2.297 -1.032) 2.540 6.013 ( 2.388 -7.796 0.407) 8.164 6.152 ( 0.790 -10.227 6.576) 12.185 6.350 ( -2.539 -14.932 -4.293) 15.743 6.546 ( -9.542 -14.698 1.161) 17.562 6.812 ( 0.992 -6.345 -0.254) 6.427 6.993 ( 0.713 -3.377 -1.459) 3.747 7.145 ( -4.547 0.319 2.803) 5.351 7.457 ( 3.130 -12.690 12.137) 17.837 7.825 ( -16.559 -24.559 -6.876) 30.407 8.167 ( -2.444 6.099 -8.670) 10.878 8.334 ( 0.381 -4.955 -10.246) 11.388 8.457 ( -0.415 -4.402 -16.534) 17.115 8.506 ( 0.865 2.043 -7.488) 7.810 8.625 ( -8.581 0.847 -10.944) 13.933 8.812 ( 4.743 -6.114 -7.809) 10.993 9.101 ( 6.705 12.399 -7.251) 15.852 9.156 ( 3.724 13.605 3.478) 14.528 9.352 ( -3.113 21.783 -1.876) 22.084 9.552 ( 10.380 1.025 5.992) 12.029 9.778 ( 0.204 8.509 20.141) 21.866 9.900 ( -1.315 4.817 10.802) 11.900 10.128 ( 3.743 2.546 -0.684) 4.578 10.315 ( 3.124 10.542 3.725) 11.609 10.594 ( 5.370 -3.350 -1.872) 6.601 10.608 ( 3.373 -17.150 7.735) 19.114 10.858 ( 5.053 -11.113 -0.047) 12.207 11.054 ( 6.227 -16.839 4.378) 18.479 11.193 ( -1.180 -6.821 0.032) 6.923 11.273 ( -0.209 -6.751 -2.103) 7.074 11.805 ( -0.548 2.717 -6.351) 6.929 11.902 ( 0.705 -2.680 -11.134) 11.474 12.174 ( -7.498 8.640 -1.223) 11.505 12.334 ( 4.158 11.909 -0.953) 12.650 12.493 ( 1.714 3.083 5.453) 6.494 12.546 ( -5.289 -4.166 3.643) 7.656 12.746 ( -2.443 0.940 10.645) 10.962 12.863 ( 0.593 -2.601 0.592) 2.732 12.957 ( 4.637 5.885 -7.682) 10.730 13.139 ( 7.563 -1.424 -6.879) 10.322 13.466 ( 0.694 23.369 4.700) 23.847 13.579 ( -3.284 21.586 1.232) 21.869 13.821 ( 1.327 14.664 1.331) 14.784 14.097 ( -11.969 25.803 4.848) 28.854 14.299 ( -7.677 -4.916 -10.074) 13.586 14.551 ( -4.994 18.243 -1.390) 18.965 14.824 ( -0.765 -7.128 -4.070) 8.243 14.934 ( -3.027 -13.962 -0.419) 14.292 15.056 ( -3.795 -7.512 5.041) 9.811 15.213 ( -0.490 7.869 -3.206) 8.511 15.441 ( -5.151 6.167 1.936) 8.265 15.664 ( -3.736 -4.347 -8.126) 9.944 15.745 ( 0.183 -6.551 -3.800) 7.576 15.780 ( -0.100 -2.992 -6.982) 7.597 16.496 ( 3.586 1.342 1.154) 3.999 16.529 ( 3.259 -0.057 1.947) 3.797 16.618 ( 4.658 -7.893 0.276) 9.169 16.779 ( 5.610 -6.568 0.388) 8.647 16.911 ( -2.205 -6.049 -1.469) 6.603 17.034 ( -2.284 -8.088 -1.234) 8.495 17.164 ( -2.694 2.519 4.569) 5.872 17.212 ( -3.317 2.656 2.277) 4.821 17.389 ( 4.415 0.174 -1.353) 4.621 17.644 ( -0.162 7.712 -5.313) 9.366 17.779 ( 6.433 -20.657 1.933) 21.722 18.040 ( 7.656 -10.295 -4.177) 13.492 19.507 ( 6.111 7.786 2.612) 10.237 19.844 ( 5.622 -4.671 -1.774) 7.522 20.536 ( -6.914 -4.131 2.409) 8.406 20.644 ( -3.017 -7.110 -0.848) 7.770 21.063 ( -2.413 17.128 3.055) 17.565 21.214 ( -5.402 11.165 3.375) 12.854 21.366 ( 3.082 4.707 2.226) 6.051 21.809 ( -3.602 -13.869 -4.909) 15.147 23.804 ( 1.732 30.964 10.834) 32.851 24.201 ( -1.061 11.244 4.644) 12.211 24.699 ( 3.702 -12.970 -7.763) 15.562 24.911 ( -1.165 -14.650 0.322) 14.700 25.655 ( 3.062 6.431 -3.781) 8.064 25.970 ( 1.062 2.944 1.550) 3.492 25.991 ( 2.288 -1.643 0.969) 2.979 26.066 ( -4.035 4.851 -2.984) 6.980 26.358 ( 7.184 -0.590 -1.839) 7.440 26.584 ( 4.729 -1.859 -9.637) 10.895 26.885 ( -2.314 2.535 5.322) 6.333 27.035 ( -1.158 3.103 6.055) 6.902 27.390 ( 2.548 -3.091 -1.920) 4.442 27.490 ( 2.405 -4.138 5.815) 7.531 27.604 ( -2.711 4.555 6.985) 8.769 27.660 ( -3.005 1.467 1.211) 3.556 27.762 ( -2.886 -1.704 5.782) 6.683 27.787 ( -3.289 -5.473 -2.206) 6.756 27.928 ( -4.146 3.564 3.112) 6.291 28.037 ( -3.981 0.890 -0.790) 4.156 28.197 ( 3.014 10.763 -2.635) 11.483 28.365 ( -2.003 2.390 5.559) 6.374 28.537 ( 4.332 -2.951 -0.134) 5.243 28.615 ( 2.931 3.914 -2.022) 5.291 28.641 ( 0.241 -3.782 0.195) 3.795 28.893 ( 1.592 -8.619 -6.520) 10.924 29.056 ( -2.061 -10.263 -0.718) 10.492 29.142 ( -2.031 -10.319 -4.900) 11.602 29.312 ( 2.055 3.463 -2.171) 4.575 29.468 ( -1.189 1.350 -0.575) 1.889 29.541 ( -0.747 -5.405 2.278) 5.913 29.621 ( 1.236 -8.823 4.069) 9.795 29.915 ( 0.889 4.209 1.048) 4.428 29.982 ( 2.465 0.895 0.087) 2.624 30.126 ( -0.989 6.733 1.566) 6.983 30.331 ( -1.856 0.082 -1.785) 2.576 31.753 ( 2.500 11.373 0.829) 11.674 31.879 ( 1.006 8.975 6.949) 11.395 32.042 ( -0.827 -0.237 -7.704) 7.752 32.330 ( -3.608 8.059 -0.858) 8.871 32.525 ( -5.397 -9.618 6.618) 12.862 32.551 ( 3.073 -5.833 -1.979) 6.883 32.829 ( -7.671 -2.794 5.068) 9.609 33.070 ( -3.322 -7.047 -2.404) 8.153 33.114 ( -8.214 5.287 -13.359) 16.550 33.256 ( -5.895 -2.119 -6.151) 8.779 33.356 ( -12.611 4.561 -5.874) 14.641 33.570 ( -6.907 -4.035 -0.738) 8.033 33.881 ( 6.233 10.840 1.795) 12.633 34.101 ( 6.038 9.420 1.837) 11.339 34.360 ( 16.555 -7.562 3.633) 18.559 34.689 ( 13.228 -18.885 4.716) 23.534 ======================= Grid point 65 (27/64) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 6.377 17.719 8.644) 20.721 1.962 ( 11.873 12.758 2.520) 17.609 2.077 ( -12.401 -5.490 0.081) 13.562 2.271 ( -0.352 -4.711 -1.284) 4.896 2.367 ( -3.568 -0.043 -6.484) 7.401 2.417 ( -3.863 -9.736 -3.097) 10.923 2.490 ( 0.542 -3.941 -0.094) 3.979 2.556 ( -1.320 -3.324 -0.726) 3.650 2.653 ( 0.972 -2.246 3.349) 4.148 2.719 ( 0.034 -7.085 -0.062) 7.085 2.753 ( -1.378 -2.732 5.259) 6.084 2.820 ( -2.902 -3.792 1.450) 4.991 3.202 ( 12.836 -0.139 1.965) 12.986 3.225 ( 4.112 -2.835 9.444) 10.683 3.461 ( -3.476 1.778 9.645) 10.405 3.698 ( 7.190 -2.963 13.628) 15.691 3.857 ( 7.172 12.222 5.788) 15.307 4.007 ( -4.170 5.277 -0.224) 6.730 4.078 ( -5.549 5.214 5.598) 9.450 4.418 ( -2.212 -6.826 2.852) 7.722 4.527 ( -9.445 -2.376 6.134) 11.510 4.617 ( -15.507 -4.477 7.737) 17.899 4.893 ( 5.874 -9.794 -3.302) 11.888 4.964 ( 1.255 1.998 -2.427) 3.385 5.015 ( 4.609 -5.616 7.060) 10.131 5.091 ( 2.073 -3.804 2.646) 5.076 5.299 ( 6.478 -4.560 -6.178) 10.046 5.448 ( 3.567 -11.604 -3.654) 12.678 5.566 ( 4.262 3.497 1.630) 5.749 5.713 ( 0.705 0.116 1.154) 1.357 5.934 ( 1.555 0.024 -0.413) 1.609 6.009 ( -2.355 0.450 3.971) 4.639 6.127 ( -5.162 -12.931 2.807) 14.204 6.263 ( -10.712 -17.272 -3.716) 20.661 6.492 ( 11.431 -24.105 3.674) 26.929 6.892 ( 6.255 -0.750 -0.696) 6.339 6.918 ( -4.605 -15.098 3.481) 16.164 7.081 ( -1.560 3.799 3.011) 5.093 7.424 ( -8.500 -11.816 7.406) 16.332 7.463 ( -17.822 -23.984 -2.395) 29.976 8.111 ( -0.441 8.332 -8.341) 11.798 8.319 ( -5.508 10.285 -2.511) 11.934 8.404 ( 0.572 -3.263 -12.696) 13.121 8.532 ( 0.423 -2.202 -6.347) 6.731 8.656 ( 9.345 8.726 -7.545) 14.846 8.887 ( 4.078 5.971 -14.717) 16.397 9.116 ( -2.120 7.451 -0.912) 7.800 9.163 ( -6.242 17.345 -6.905) 19.685 9.465 ( 11.243 3.803 2.255) 12.081 9.678 ( 1.699 0.879 0.875) 2.103 9.755 ( -1.428 0.062 13.615) 13.690 9.846 ( -3.702 -0.100 11.069) 11.672 10.246 ( 6.607 9.838 2.026) 12.022 10.363 ( 1.258 8.505 5.218) 10.058 10.688 ( 6.150 -7.936 5.148) 11.283 10.775 ( 7.661 -14.491 -3.893) 16.848 10.987 ( 6.614 -9.378 6.781) 13.329 11.147 ( -3.238 -7.715 -1.839) 8.566 11.190 ( 6.254 -11.294 3.182) 13.297 11.294 ( 2.968 -9.746 -0.650) 10.209 11.803 ( -0.201 -0.217 -8.378) 8.383 11.924 ( 2.756 -4.445 -9.027) 10.432 11.994 ( -8.984 5.052 -5.128) 11.513 12.334 ( -12.604 -6.084 -0.987) 14.030 12.438 ( 4.281 12.997 -0.605) 13.697 12.527 ( 0.981 7.622 4.630) 8.971 12.766 ( 3.437 3.497 5.404) 7.297 12.871 ( -0.206 -2.268 -0.430) 2.318 13.101 ( 8.931 9.120 -2.794) 13.067 13.306 ( 8.369 4.671 -5.400) 11.001 13.455 ( -4.177 23.938 -3.278) 24.520 13.510 ( -0.549 18.557 5.345) 19.319 13.799 ( -7.166 11.913 0.498) 13.911 13.836 ( -10.755 24.764 4.718) 27.408 14.165 ( -1.868 -1.427 -10.451) 10.712 14.413 ( -8.186 16.321 -3.494) 18.590 14.812 ( -0.998 -7.534 -0.504) 7.617 14.855 ( -4.000 -12.082 -0.424) 12.734 15.018 ( 1.769 -8.707 3.205) 9.445 15.211 ( -0.552 4.239 1.588) 4.560 15.338 ( -4.011 6.558 2.162) 7.985 15.503 ( -9.224 -1.443 -2.478) 9.659 15.778 ( 1.422 -5.860 -5.609) 8.236 15.789 ( 0.709 -8.648 -4.153) 9.620 16.588 ( 5.126 -2.577 1.327) 5.889 16.627 ( 5.197 4.261 -0.364) 6.730 16.713 ( 4.219 -6.995 -0.583) 8.189 16.851 ( -3.567 -4.546 0.008) 5.778 16.886 ( 3.519 -7.418 -0.137) 8.211 17.008 ( -0.012 -0.895 0.212) 0.920 17.071 ( -4.542 5.174 3.555) 7.749 17.168 ( -2.239 1.138 3.663) 4.441 17.477 ( 4.480 -0.329 -1.890) 4.874 17.630 ( -1.694 6.805 -3.940) 8.043 17.942 ( 8.648 -20.267 -0.782) 22.049 18.142 ( 1.380 -16.031 -4.843) 16.804 19.699 ( 12.624 7.767 3.527) 15.237 20.017 ( 10.608 -3.941 -0.375) 11.322 20.326 ( -12.422 -0.162 5.295) 13.505 20.541 ( -8.109 -7.446 1.071) 11.061 21.012 ( -1.993 19.823 0.355) 19.926 21.084 ( -6.257 15.419 1.734) 16.730 21.449 ( 5.206 -3.644 0.155) 6.357 21.707 ( -6.137 -12.730 -3.670) 14.600 23.884 ( 6.100 27.034 9.171) 29.191 24.152 ( -4.167 15.301 4.827) 16.576 24.775 ( 3.397 -16.563 -6.328) 18.053 24.879 ( -1.953 -16.287 -2.345) 16.571 25.739 ( 4.795 8.829 -5.742) 11.572 25.937 ( -4.203 7.579 -5.154) 10.083 26.035 ( 1.669 -3.983 -3.435) 5.518 26.044 ( 1.095 1.963 2.661) 3.483 26.496 ( 6.806 4.264 0.540) 8.050 26.666 ( 1.210 11.530 1.089) 11.645 26.924 ( 6.629 -6.597 4.048) 10.191 27.048 ( 2.401 -1.785 4.700) 5.571 27.415 ( -0.286 -0.345 1.823) 1.877 27.518 ( -2.920 0.175 2.599) 3.913 27.532 ( -2.854 2.000 0.051) 3.485 27.589 ( -3.188 0.002 2.870) 4.289 27.685 ( -3.055 -1.546 0.512) 3.462 27.728 ( -0.936 -1.820 4.016) 4.507 27.848 ( -3.513 -1.252 9.168) 9.897 27.925 ( -6.127 -1.859 2.918) 7.037 28.245 ( 2.064 9.815 -1.022) 10.081 28.328 ( -1.748 5.956 2.398) 6.654 28.613 ( 2.266 -7.199 -3.016) 8.128 28.636 ( 0.372 -5.844 -0.981) 5.937 28.718 ( 6.167 2.795 -1.143) 6.867 28.929 ( 0.563 -7.273 -2.456) 7.698 28.999 ( -2.238 -8.932 -4.629) 10.306 29.092 ( -2.893 -10.417 -5.670) 12.208 29.353 ( 2.023 3.330 -2.187) 4.468 29.437 ( -1.824 2.132 -1.932) 3.406 29.548 ( 1.353 -5.851 -0.608) 6.036 29.622 ( -1.153 -7.854 1.590) 8.096 29.951 ( 2.600 4.931 1.119) 5.686 30.044 ( 1.947 3.097 -0.776) 3.740 30.106 ( 0.433 2.292 2.354) 3.314 30.274 ( -3.778 -0.980 -1.164) 4.073 31.822 ( 3.998 9.992 -0.570) 10.777 31.910 ( 2.072 12.752 6.636) 14.524 32.010 ( -2.427 8.565 -3.583) 9.596 32.145 ( -10.472 10.921 2.570) 15.347 32.514 ( 3.056 -6.453 3.044) 7.762 32.638 ( 4.856 -6.610 -1.850) 8.408 32.713 ( -4.327 -5.467 5.293) 8.754 32.918 ( -7.976 -6.218 -4.972) 11.269 33.023 ( -2.733 1.227 -9.597) 10.053 33.127 ( -8.250 3.373 -5.220) 10.329 33.204 ( -0.731 -7.755 -3.810) 8.671 33.378 ( -9.140 -6.647 -0.606) 11.318 34.064 ( 8.951 14.418 3.428) 17.313 34.201 ( 2.833 12.414 2.905) 13.060 34.659 ( 12.150 -11.519 1.708) 16.830 34.865 ( 3.475 -21.118 0.775) 21.416 ======================= Grid point 66 (28/64) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -10.250 3.022 4.539) 11.610 1.831 ( 10.250 3.022 4.539) 11.610 2.175 ( -8.533 4.031 -2.069) 9.661 2.175 ( 8.533 4.031 -2.069) 9.661 2.350 ( -1.692 -4.699 -3.144) 5.902 2.350 ( 1.692 -4.699 -3.144) 5.902 2.524 ( -1.860 -5.937 -0.380) 6.234 2.524 ( 1.860 -5.937 -0.380) 6.234 2.686 ( -2.208 -6.316 2.723) 7.224 2.686 ( 2.208 -6.316 2.723) 7.224 2.771 ( -1.993 -5.989 1.266) 6.438 2.771 ( 1.993 -5.989 1.266) 6.438 3.352 ( -6.729 4.036 8.885) 11.853 3.352 ( 6.729 4.036 8.885) 11.853 3.550 ( -17.395 -0.387 4.331) 17.930 3.550 ( 17.395 -0.387 4.331) 17.930 3.964 ( -5.686 6.864 3.749) 9.670 3.964 ( 5.686 6.864 3.749) 9.670 4.217 ( -19.130 5.134 7.566) 21.203 4.217 ( 19.130 5.134 7.566) 21.203 4.400 ( -1.903 -4.152 5.558) 7.194 4.400 ( 1.903 -4.152 5.558) 7.194 4.969 ( -1.653 -10.834 1.622) 11.079 4.969 ( 1.653 -10.834 1.622) 11.079 5.096 ( -1.993 0.869 4.405) 4.912 5.096 ( 1.993 0.869 4.405) 4.912 5.455 ( -5.181 -13.406 -9.324) 17.132 5.455 ( 5.181 -13.406 -9.324) 17.132 5.667 ( -5.225 4.009 -1.746) 6.813 5.667 ( 5.225 4.009 -1.746) 6.814 5.963 ( -1.090 0.178 2.215) 2.475 5.963 ( 1.090 0.178 2.215) 2.475 6.084 ( -4.174 -12.906 3.230) 13.943 6.084 ( 4.174 -12.906 3.230) 13.943 6.765 ( -10.847 -20.136 5.441) 23.510 6.765 ( 10.847 -20.136 5.441) 23.510 7.087 ( -2.599 -9.362 -1.313) 9.804 7.087 ( 2.599 -9.362 -1.313) 9.804 7.207 ( -3.967 -9.271 3.990) 10.845 7.207 ( 3.967 -9.271 3.990) 10.845 8.177 ( -6.080 12.594 -6.114) 15.262 8.177 ( 6.080 12.594 -6.114) 15.262 8.484 ( -4.425 -5.430 -7.236) 10.071 8.484 ( 4.425 -5.430 -7.236) 10.071 8.871 ( -9.322 19.851 -10.010) 24.107 8.871 ( 9.322 19.851 -10.010) 24.107 9.073 ( -3.407 3.654 -5.009) 7.075 9.073 ( 3.407 3.654 -5.009) 7.075 9.639 ( -5.192 2.879 2.650) 6.501 9.639 ( 5.192 2.879 2.650) 6.501 9.768 ( -3.068 -4.396 10.303) 11.614 9.768 ( 3.068 -4.396 10.303) 11.614 10.350 ( -2.936 10.240 3.297) 11.152 10.350 ( 2.936 10.240 3.297) 11.152 10.807 ( -4.078 -11.731 2.551) 12.679 10.807 ( 4.078 -11.731 2.551) 12.679 11.092 ( -3.248 -8.081 1.605) 8.855 11.092 ( 3.248 -8.081 1.605) 8.855 11.302 ( -3.408 -11.062 1.127) 11.630 11.302 ( 3.408 -11.062 1.127) 11.630 11.835 ( -4.594 2.078 -9.577) 10.823 11.835 ( 4.594 2.078 -9.577) 10.823 12.075 ( -11.145 -6.635 -4.433) 13.707 12.075 ( 11.145 -6.635 -4.433) 13.707 12.513 ( -2.451 12.302 2.767) 12.846 12.513 ( 2.451 12.302 2.767) 12.846 12.840 ( -2.955 0.464 1.147) 3.204 12.840 ( 2.955 0.464 1.147) 3.204 13.291 ( -8.804 13.925 -1.581) 16.550 13.291 ( 8.804 13.925 -1.581) 16.550 13.489 ( -5.773 18.055 -2.499) 19.119 13.489 ( 5.773 18.055 -2.499) 19.119 13.679 ( -3.248 12.175 1.313) 12.669 13.679 ( 3.248 12.175 1.313) 12.669 14.244 ( -7.566 10.101 -5.640) 13.823 14.244 ( 7.566 10.101 -5.640) 13.823 14.801 ( -0.852 -9.227 0.731) 9.295 14.801 ( 0.852 -9.227 0.731) 9.295 15.123 ( -6.955 -6.512 2.336) 9.810 15.123 ( 6.955 -6.512 2.336) 9.810 15.351 ( -4.966 7.010 1.098) 8.661 15.351 ( 4.966 7.010 1.098) 8.661 15.795 ( -0.291 -8.682 -4.525) 9.794 15.795 ( 0.291 -8.682 -4.525) 9.794 16.674 ( -1.918 -1.304 -0.618) 2.400 16.674 ( 1.918 -1.304 -0.618) 2.400 16.782 ( -2.884 -3.908 -0.060) 4.858 16.782 ( 2.884 -3.908 -0.060) 4.858 16.941 ( -3.837 -0.185 1.604) 4.163 16.941 ( 3.837 -0.185 1.604) 4.163 17.101 ( -4.106 0.807 2.851) 5.063 17.101 ( 4.106 0.807 2.851) 5.063 17.569 ( -4.137 3.493 -2.766) 6.080 17.569 ( 4.137 3.493 -2.766) 6.080 18.094 ( -5.578 -18.788 -3.346) 19.882 18.094 ( 5.578 -18.788 -3.346) 19.882 19.990 ( -14.537 6.054 2.525) 15.949 19.990 ( 14.537 6.054 2.525) 15.949 20.317 ( -12.415 -7.205 3.818) 14.853 20.317 ( 12.415 -7.205 3.818) 14.853 21.002 ( -1.530 19.322 0.111) 19.383 21.002 ( 1.530 19.322 0.111) 19.383 21.573 ( -6.704 -9.715 -1.930) 11.960 21.573 ( 6.704 -9.715 -1.930) 11.960 24.030 ( -7.421 21.229 6.718) 23.470 24.030 ( 7.421 21.229 6.718) 23.470 24.834 ( -2.479 -17.271 -4.691) 18.067 24.834 ( 2.479 -17.271 -4.691) 18.067 25.840 ( -5.024 8.691 -5.968) 11.679 25.840 ( 5.024 8.691 -5.968) 11.679 26.055 ( -0.234 -1.814 -1.785) 2.556 26.055 ( 0.234 -1.814 -1.785) 2.556 26.624 ( -4.896 10.807 3.874) 12.481 26.624 ( 4.896 10.807 3.874) 12.481 27.059 ( -3.761 -5.723 4.844) 8.388 27.059 ( 3.761 -5.723 4.844) 8.388 27.432 ( -3.421 1.787 0.173) 3.863 27.432 ( 3.421 1.787 0.173) 3.863 27.507 ( -1.068 -1.939 -0.907) 2.393 27.507 ( 1.068 -1.939 -0.907) 2.393 27.710 ( -2.427 1.053 5.971) 6.531 27.710 ( 2.427 1.053 5.971) 6.531 27.826 ( -2.653 -3.649 6.754) 8.122 27.826 ( 2.653 -3.649 6.754) 8.122 28.288 ( -2.133 8.494 0.492) 8.771 28.288 ( 2.133 8.494 0.492) 8.771 28.637 ( -0.467 -6.641 -2.265) 7.033 28.637 ( 0.467 -6.641 -2.265) 7.033 28.851 ( -6.259 -2.773 -0.806) 6.894 28.851 ( 6.259 -2.773 -0.806) 6.894 29.028 ( -3.161 -10.130 -6.542) 12.467 29.028 ( 3.161 -10.130 -6.542) 12.467 29.396 ( -2.132 3.049 -2.428) 4.443 29.396 ( 2.132 3.049 -2.428) 4.443 29.586 ( -2.070 -6.583 -0.453) 6.916 29.586 ( 2.070 -6.583 -0.453) 6.916 30.013 ( -3.130 5.785 0.722) 6.617 30.013 ( 3.130 5.785 0.722) 6.617 30.182 ( -4.967 -1.793 0.084) 5.281 30.182 ( 4.967 -1.793 0.084) 5.281 31.908 ( -4.049 13.265 -1.440) 13.943 31.908 ( 4.049 13.265 -1.440) 13.943 31.998 ( -3.897 10.265 5.520) 12.290 31.998 ( 3.897 10.265 5.520) 12.290 32.600 ( -4.926 -5.929 2.749) 8.184 32.600 ( 4.926 -5.929 2.749) 8.184 32.772 ( -6.527 -6.239 -3.480) 9.677 32.772 ( 6.527 -6.239 -3.480) 9.677 33.015 ( -2.483 0.932 -6.724) 7.228 33.015 ( 2.483 0.932 -6.724) 7.228 33.240 ( -4.256 -8.766 -2.113) 9.971 33.240 ( 4.256 -8.766 -2.113) 9.971 34.196 ( -3.544 14.254 3.486) 15.096 34.196 ( 3.544 14.254 3.486) 15.096 34.840 ( -5.443 -16.670 0.804) 17.555 34.840 ( 5.443 -16.670 0.804) 17.555 ======================= Grid point 70 (29/64) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 0.000 -14.814 5.748) 15.890 1.869 ( 0.000 14.814 5.748) 15.890 2.097 ( 0.000 -18.100 -0.059) 18.100 2.097 ( 0.000 18.100 -0.059) 18.100 2.433 ( 0.000 -6.557 -7.227) 9.759 2.433 ( 0.000 6.557 -7.227) 9.759 2.585 ( 0.000 -8.298 1.167) 8.380 2.585 ( 0.000 8.298 1.167) 8.380 2.695 ( 0.000 -4.748 1.314) 4.927 2.695 ( 0.000 4.748 1.314) 4.927 2.905 ( 0.000 -6.583 -0.904) 6.645 2.905 ( 0.000 6.583 -0.904) 6.645 3.163 ( 0.000 -5.314 6.874) 8.689 3.163 ( 0.000 5.314 6.874) 8.689 3.294 ( 0.000 -9.186 16.880) 19.218 3.294 ( 0.000 9.186 16.880) 19.218 4.086 ( 0.000 -5.231 5.771) 7.789 4.086 ( 0.000 5.231 5.771) 7.789 4.334 ( 0.000 -8.792 -0.748) 8.824 4.334 ( 0.000 8.792 -0.748) 8.824 4.495 ( 0.000 -35.463 2.717) 35.567 4.495 ( 0.000 35.463 2.717) 35.567 4.760 ( 0.000 -8.982 -0.088) 8.982 4.760 ( 0.000 8.982 -0.088) 8.982 4.992 ( 0.000 -6.523 12.504) 14.104 4.992 ( 0.000 6.523 12.504) 14.104 5.181 ( 0.000 -9.959 -2.658) 10.308 5.181 ( 0.000 9.959 -2.658) 10.308 5.671 ( 0.000 -6.603 1.194) 6.710 5.671 ( 0.000 6.603 1.194) 6.710 5.951 ( 0.000 -9.915 2.093) 10.133 5.951 ( 0.000 9.915 2.093) 10.133 6.222 ( 0.000 -4.793 -6.595) 8.153 6.222 ( 0.000 4.793 -6.595) 8.153 6.583 ( 0.000 -11.040 6.187) 12.655 6.583 ( 0.000 11.040 6.187) 12.655 7.097 ( 0.000 -7.750 -0.856) 7.797 7.097 ( 0.000 7.750 -0.856) 7.797 7.426 ( 0.000 -18.097 2.762) 18.307 7.426 ( 0.000 18.097 2.762) 18.307 8.319 ( 0.000 -5.765 -4.464) 7.291 8.319 ( 0.000 5.765 -4.464) 7.291 8.369 ( 0.000 -2.043 -23.006) 23.097 8.369 ( 0.000 2.043 -23.006) 23.097 8.724 ( 0.000 -1.153 -10.410) 10.474 8.724 ( 0.000 1.153 -10.410) 10.474 9.215 ( 0.000 -7.964 5.439) 9.644 9.215 ( 0.000 7.964 5.439) 9.644 9.630 ( 0.000 -7.521 -2.957) 8.082 9.630 ( 0.000 7.521 -2.957) 8.082 9.944 ( 0.000 -5.078 13.117) 14.066 9.944 ( 0.000 5.078 13.117) 14.066 10.200 ( 0.000 -13.361 4.429) 14.075 10.200 ( 0.000 13.361 4.429) 14.075 10.582 ( 0.000 -10.194 2.298) 10.450 10.582 ( 0.000 10.194 2.298) 10.450 10.596 ( 0.000 -13.145 4.422) 13.868 10.596 ( 0.000 13.145 4.422) 13.868 11.155 ( 0.000 -1.278 0.291) 1.310 11.155 ( 0.000 1.278 0.291) 1.310 11.880 ( 0.000 -0.461 -12.228) 12.237 11.880 ( 0.000 0.461 -12.228) 12.237 12.446 ( 0.000 -5.060 0.516) 5.087 12.446 ( 0.000 5.060 0.516) 5.087 12.473 ( 0.000 -8.477 8.143) 11.755 12.473 ( 0.000 8.477 8.143) 11.755 12.777 ( 0.000 -2.893 11.976) 12.321 12.777 ( 0.000 2.893 11.976) 12.321 12.998 ( 0.000 -3.929 -13.908) 14.452 12.998 ( 0.000 3.929 -13.908) 14.452 13.852 ( 0.000 -9.554 4.658) 10.629 13.852 ( 0.000 9.554 4.658) 10.629 14.084 ( 0.000 -18.416 -4.027) 18.852 14.084 ( 0.000 18.416 -4.027) 18.852 14.644 ( 0.000 -14.060 -0.215) 14.062 14.644 ( 0.000 14.060 -0.215) 14.062 14.791 ( 0.000 -0.668 -2.168) 2.268 14.791 ( 0.000 0.668 -2.168) 2.268 15.185 ( 0.000 -11.549 0.402) 11.556 15.185 ( 0.000 11.549 0.402) 11.556 15.591 ( 0.000 -2.880 -1.846) 3.420 15.591 ( 0.000 2.880 -1.846) 3.420 15.747 ( 0.000 -1.433 -10.979) 11.072 15.747 ( 0.000 1.433 -10.979) 11.072 16.453 ( 0.000 -1.159 0.902) 1.468 16.453 ( 0.000 1.159 0.902) 1.468 16.568 ( 0.000 -7.348 1.769) 7.558 16.568 ( 0.000 7.348 1.769) 7.558 16.893 ( 0.000 -4.230 -0.586) 4.271 16.893 ( 0.000 4.230 -0.586) 4.271 17.260 ( 0.000 -8.552 3.292) 9.164 17.260 ( 0.000 8.552 3.292) 9.164 17.400 ( 0.000 -6.378 1.431) 6.536 17.400 ( 0.000 6.378 1.431) 6.536 17.807 ( 0.000 -7.449 -6.129) 9.647 17.807 ( 0.000 7.449 -6.129) 9.647 19.628 ( 0.000 -9.506 1.557) 9.633 19.628 ( 0.000 9.506 1.557) 9.633 20.552 ( 0.000 -1.305 2.433) 2.761 20.552 ( 0.000 1.305 2.433) 2.761 21.397 ( 0.000 -1.906 0.469) 1.963 21.397 ( 0.000 1.906 0.469) 1.963 21.500 ( 0.000 -17.044 0.783) 17.062 21.500 ( 0.000 17.044 0.783) 17.062 24.333 ( 0.000 -19.766 1.022) 19.792 24.333 ( 0.000 19.766 1.022) 19.792 24.537 ( 0.000 -21.863 5.134) 22.458 24.537 ( 0.000 21.863 5.134) 22.458 25.810 ( 0.000 -9.711 -5.599) 11.209 25.810 ( 0.000 9.711 -5.599) 11.209 26.100 ( 0.000 -7.477 7.810) 10.812 26.100 ( 0.000 7.477 7.810) 10.812 26.333 ( 0.000 -10.179 -11.835) 15.610 26.333 ( 0.000 10.179 -11.835) 15.610 27.063 ( 0.000 -5.421 6.531) 8.488 27.063 ( 0.000 5.421 6.531) 8.488 27.350 ( 0.000 -4.441 -0.489) 4.468 27.350 ( 0.000 4.441 -0.489) 4.468 27.702 ( 0.000 -3.356 5.204) 6.192 27.702 ( 0.000 3.356 5.204) 6.192 27.745 ( 0.000 -3.484 3.621) 5.025 27.745 ( 0.000 3.484 3.621) 5.025 28.077 ( 0.000 -1.977 -2.892) 3.503 28.077 ( 0.000 1.977 -2.892) 3.503 28.400 ( 0.000 -6.455 -0.898) 6.517 28.400 ( 0.000 6.455 -0.898) 6.517 28.479 ( 0.000 -9.927 1.652) 10.063 28.479 ( 0.000 9.927 1.652) 10.063 28.753 ( 0.000 -4.908 -5.714) 7.532 28.753 ( 0.000 4.908 -5.714) 7.532 28.961 ( 0.000 -4.410 1.603) 4.692 28.961 ( 0.000 4.410 1.603) 4.692 29.403 ( 0.000 -7.253 -0.443) 7.266 29.403 ( 0.000 7.253 -0.443) 7.266 29.516 ( 0.000 -1.614 2.062) 2.618 29.516 ( 0.000 1.614 2.062) 2.618 29.961 ( 0.000 -1.138 0.365) 1.195 29.961 ( 0.000 1.138 0.365) 1.195 30.283 ( 0.000 -6.258 -1.218) 6.375 30.283 ( 0.000 6.258 -1.218) 6.375 31.899 ( 0.000 -8.752 -1.924) 8.961 31.899 ( 0.000 8.752 -1.924) 8.961 32.199 ( 0.000 -19.326 7.400) 20.694 32.199 ( 0.000 19.326 7.400) 20.694 32.453 ( 0.000 -5.588 1.263) 5.729 32.453 ( 0.000 5.588 1.263) 5.729 32.989 ( 0.000 -3.807 -0.753) 3.881 32.989 ( 0.000 3.807 -0.753) 3.881 33.367 ( 0.000 -6.159 -14.771) 16.004 33.367 ( 0.000 6.159 -14.771) 16.004 33.559 ( 0.000 -6.315 -5.627) 8.458 33.559 ( 0.000 6.315 -5.627) 8.458 33.936 ( 0.000 -6.106 -3.289) 6.935 33.936 ( 0.000 6.106 -3.289) 6.935 34.279 ( 0.000 -9.800 14.323) 17.355 34.279 ( 0.000 9.800 14.323) 17.355 ======================= Grid point 72 (30/64) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 7.122 -15.518 5.068) 17.811 1.962 ( 7.122 15.518 5.068) 17.811 2.120 ( 2.284 -16.329 -1.918) 16.599 2.120 ( 2.284 16.329 -1.918) 16.599 2.362 ( -7.343 -3.507 -5.814) 10.001 2.362 ( -7.343 3.507 -5.814) 10.001 2.496 ( -4.295 -3.361 1.559) 5.672 2.496 ( -4.295 3.361 1.559) 5.672 2.693 ( -1.557 -3.501 0.763) 3.907 2.693 ( -1.557 3.501 0.763) 3.907 2.857 ( -4.763 -4.477 -2.394) 6.961 2.857 ( -4.763 4.477 -2.394) 6.961 3.110 ( -0.788 -3.753 9.073) 9.850 3.110 ( -0.788 3.753 9.073) 9.850 3.425 ( 9.272 -1.552 15.438) 18.075 3.425 ( 9.272 1.552 15.438) 18.075 4.133 ( 1.454 -2.581 3.017) 4.228 4.133 ( 1.454 2.581 3.017) 4.228 4.299 ( 0.572 -3.195 3.917) 5.087 4.299 ( 0.572 3.195 3.917) 5.087 4.479 ( -2.989 -30.065 2.224) 30.295 4.479 ( -2.989 30.065 2.224) 30.295 4.828 ( -0.222 -6.913 5.817) 9.038 4.828 ( -0.222 6.913 5.817) 9.038 4.994 ( 3.826 -4.052 1.537) 5.781 4.994 ( 3.826 4.052 1.537) 5.781 5.182 ( 1.726 -9.781 1.491) 10.043 5.182 ( 1.726 9.781 1.491) 10.043 5.695 ( 2.495 -7.012 0.669) 7.472 5.695 ( 2.495 7.012 0.669) 7.472 5.915 ( -2.664 -10.113 2.879) 10.847 5.915 ( -2.664 10.113 2.879) 10.847 6.148 ( -6.279 -5.255 -5.027) 9.608 6.148 ( -6.279 5.255 -5.027) 9.608 6.549 ( -2.434 -15.712 2.271) 16.060 6.549 ( -2.434 15.712 2.271) 16.060 7.103 ( -2.908 -9.527 -3.815) 10.666 7.103 ( -2.908 9.527 -3.815) 10.666 7.354 ( -4.063 -6.264 8.052) 10.981 7.354 ( -4.063 6.264 8.052) 10.981 8.272 ( -3.439 -4.284 -12.400) 13.563 8.272 ( -3.439 4.284 -12.400) 13.563 8.486 ( 7.495 -5.600 -13.207) 16.185 8.486 ( 7.495 5.600 -13.207) 16.185 8.675 ( -0.417 -6.218 -7.575) 9.810 8.675 ( -0.417 6.218 -7.575) 9.810 9.316 ( 6.908 -2.754 4.130) 8.507 9.316 ( 6.908 2.754 4.130) 8.507 9.575 ( -4.134 -1.148 -5.868) 7.269 9.575 ( -4.134 1.148 -5.868) 7.269 9.928 ( -2.932 -2.588 11.762) 12.395 9.928 ( -2.932 2.588 11.762) 12.395 10.267 ( 6.815 -12.254 5.921) 15.220 10.267 ( 6.815 12.254 5.921) 15.220 10.571 ( 0.495 -8.692 1.765) 8.883 10.571 ( 0.495 8.692 1.765) 8.883 10.720 ( 9.746 -10.275 4.740) 14.934 10.720 ( 9.746 10.275 4.740) 14.934 11.140 ( -1.330 -3.641 0.670) 3.934 11.140 ( -1.330 3.641 0.670) 3.934 11.859 ( -1.798 -2.203 -11.808) 12.145 11.859 ( -1.798 2.203 -11.808) 12.145 12.373 ( -8.232 -10.639 3.426) 13.881 12.373 ( -8.232 10.639 3.426) 13.881 12.512 ( 4.888 -3.822 0.957) 6.278 12.512 ( 4.888 3.822 0.957) 6.278 12.774 ( 0.122 -3.640 8.135) 8.913 12.774 ( 0.122 3.640 8.135) 8.913 13.078 ( 7.050 -4.978 -8.690) 12.247 13.078 ( 7.050 4.978 -8.690) 12.247 13.884 ( 2.545 -9.906 5.175) 11.462 13.884 ( 2.545 9.906 5.175) 11.462 14.017 ( -6.188 -17.169 -4.927) 18.903 14.017 ( -6.188 17.169 -4.927) 18.903 14.545 ( -9.055 -16.099 -1.253) 18.513 14.545 ( -9.055 16.099 -1.253) 18.513 14.770 ( -1.170 -0.572 -1.841) 2.255 14.770 ( -1.170 0.572 -1.841) 2.255 15.150 ( -3.689 -13.849 0.758) 14.352 15.150 ( -3.689 13.849 0.758) 14.352 15.566 ( -1.698 -8.057 -2.001) 8.473 15.566 ( -1.698 8.057 -2.001) 8.473 15.714 ( -3.036 -4.990 -7.349) 9.387 15.714 ( -3.036 4.990 -7.349) 9.387 16.485 ( 3.041 -3.143 1.079) 4.504 16.485 ( 3.041 3.143 1.079) 4.504 16.632 ( 5.240 -7.452 0.236) 9.113 16.632 ( 5.240 7.452 0.236) 9.113 16.884 ( -0.455 -4.449 0.728) 4.531 16.884 ( -0.455 4.449 0.728) 4.531 17.264 ( -1.222 -3.386 1.536) 3.914 17.264 ( -1.222 3.386 1.536) 3.914 17.436 ( 4.757 -9.020 1.680) 10.335 17.436 ( 4.757 9.020 1.680) 10.335 17.836 ( 1.992 -10.095 -6.145) 11.985 17.836 ( 1.992 10.095 -6.145) 11.985 19.691 ( 6.176 -9.378 2.290) 11.460 19.691 ( 6.176 9.378 2.290) 11.460 20.515 ( -3.878 -3.142 2.647) 5.649 20.515 ( -3.878 3.142 2.647) 5.649 21.371 ( -2.200 -4.543 0.282) 5.055 21.371 ( -2.200 4.543 0.282) 5.055 21.475 ( -2.434 -16.992 0.309) 17.168 21.475 ( -2.434 16.992 0.309) 17.168 24.344 ( 1.182 -20.890 1.268) 20.962 24.344 ( 1.182 20.890 1.268) 20.962 24.528 ( -0.841 -20.526 3.921) 20.914 24.528 ( -0.841 20.526 3.921) 20.914 25.844 ( 2.972 -9.009 -5.744) 11.090 25.844 ( 2.972 9.009 -5.744) 11.090 26.086 ( -1.463 -3.588 1.831) 4.286 26.086 ( -1.463 3.588 1.831) 4.286 26.429 ( 9.016 -8.272 -5.126) 13.266 26.429 ( 9.016 8.272 -5.126) 13.266 27.013 ( -3.435 -5.554 6.279) 9.059 27.013 ( -3.435 5.554 6.279) 9.059 27.402 ( 3.788 -3.845 0.362) 5.410 27.402 ( 3.788 3.845 0.362) 5.410 27.678 ( -2.329 -3.517 3.779) 5.663 27.678 ( -2.329 3.517 3.779) 5.663 27.714 ( -2.836 -3.187 4.382) 6.116 27.714 ( -2.836 3.187 4.382) 6.116 28.014 ( -5.881 -3.333 -0.442) 6.774 28.014 ( -5.881 3.333 -0.442) 6.774 28.411 ( 1.125 -5.296 -1.847) 5.721 28.411 ( 1.125 5.296 -1.847) 5.721 28.479 ( 0.100 -7.647 1.143) 7.733 28.479 ( 0.100 7.647 1.143) 7.733 28.774 ( 1.847 -5.716 -5.687) 8.271 28.774 ( 1.847 5.716 -5.687) 8.271 28.952 ( -0.994 -4.320 0.802) 4.505 28.952 ( -0.994 4.320 0.802) 4.505 29.413 ( 0.894 -6.176 -0.823) 6.295 29.413 ( 0.894 6.176 -0.823) 6.295 29.513 ( -0.329 -2.613 1.440) 3.002 29.513 ( -0.329 2.613 1.440) 3.002 29.977 ( 1.648 -1.615 0.549) 2.372 29.977 ( 1.648 1.615 0.549) 2.372 30.264 ( -1.927 -5.946 -1.028) 6.334 30.264 ( -1.927 5.946 -1.028) 6.334 31.927 ( 2.666 -8.366 -1.309) 8.877 31.927 ( 2.666 8.366 -1.309) 8.877 32.203 ( 0.184 -17.993 7.474) 19.485 32.203 ( 0.184 17.993 7.474) 19.485 32.466 ( 1.287 -5.350 -0.160) 5.505 32.466 ( 1.287 5.350 -0.160) 5.505 32.894 ( -8.607 -7.839 -0.438) 11.650 32.894 ( -8.607 7.839 -0.438) 11.650 33.213 ( -8.506 -3.250 -12.344) 15.339 33.213 ( -8.506 3.250 -12.344) 15.339 33.463 ( -10.266 -5.869 -3.658) 12.378 33.463 ( -10.266 5.869 -3.658) 12.378 34.107 ( 13.602 -9.969 -2.873) 17.107 34.107 ( 13.602 9.969 -2.873) 17.107 34.379 ( 7.271 -11.303 10.534) 17.077 34.379 ( 7.271 11.303 10.534) 17.077 ======================= Grid point 74 (31/64) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.781 -13.382 -0.426) 13.412 2.046 ( 0.781 13.382 -0.426) 13.412 2.137 ( -3.606 -6.984 0.993) 7.923 2.137 ( -3.606 6.984 0.993) 7.923 2.282 ( 2.989 -9.400 -5.178) 11.140 2.282 ( 2.989 9.400 -5.178) 11.140 2.420 ( -3.623 -4.183 -0.843) 5.598 2.420 ( -3.623 4.183 -0.843) 5.598 2.657 ( -1.027 -0.357 1.715) 2.030 2.657 ( -1.027 0.357 1.715) 2.030 2.747 ( -5.118 -2.362 -2.156) 6.035 2.747 ( -5.118 2.362 -2.156) 6.035 3.210 ( 10.747 -0.552 9.051) 14.062 3.210 ( 10.747 0.552 9.051) 14.062 3.582 ( 3.630 -7.957 14.825) 17.213 3.582 ( 3.630 7.957 14.825) 17.213 4.096 ( -1.809 -2.322 -2.796) 4.060 4.096 ( -1.809 2.322 -2.796) 4.060 4.345 ( -5.299 -12.215 2.353) 13.521 4.345 ( -5.299 12.215 2.353) 13.521 4.416 ( 3.160 -14.160 10.664) 18.006 4.416 ( 3.160 14.160 10.664) 18.006 4.668 ( -10.102 -11.219 11.125) 18.753 4.668 ( -10.102 11.219 11.125) 18.753 5.146 ( 7.331 -2.321 -4.398) 8.858 5.146 ( 7.331 2.321 -4.398) 8.858 5.267 ( 4.535 -3.293 -0.464) 5.623 5.267 ( 4.535 3.293 -0.464) 5.623 5.754 ( 2.204 -9.100 -0.302) 9.368 5.754 ( 2.204 9.100 -0.302) 9.368 5.882 ( -0.944 -7.340 1.363) 7.525 5.882 ( -0.944 7.340 1.363) 7.525 6.054 ( 0.547 -4.527 -0.603) 4.600 6.054 ( 0.547 4.527 -0.603) 4.600 6.459 ( -7.950 -22.365 1.492) 23.783 6.459 ( -7.950 22.365 1.492) 23.783 7.011 ( -1.981 -9.071 -3.091) 9.786 7.011 ( -1.981 9.071 -3.091) 9.786 7.255 ( -7.416 -4.535 7.551) 11.514 7.255 ( -7.416 4.535 7.551) 11.514 8.256 ( 2.770 -6.196 -11.409) 13.275 8.256 ( 2.770 6.196 -11.409) 13.275 8.482 ( -5.024 -3.106 -4.002) 7.135 8.482 ( -5.024 3.106 -4.002) 7.135 8.860 ( 14.456 -7.290 -12.950) 20.732 8.860 ( 14.456 7.290 -12.950) 20.732 9.365 ( -5.525 -8.702 2.022) 10.505 9.365 ( -5.525 8.702 2.022) 10.505 9.542 ( 3.864 -10.818 -5.151) 12.589 9.542 ( 3.864 10.818 -5.151) 12.589 9.826 ( -6.567 -3.167 9.213) 11.749 9.826 ( -6.567 3.167 9.213) 11.749 10.432 ( 8.204 -10.581 7.332) 15.265 10.432 ( 8.204 10.581 7.332) 15.265 10.597 ( 1.228 -10.092 2.779) 10.540 10.597 ( 1.228 10.092 2.779) 10.540 10.936 ( 9.998 -9.339 4.303) 14.342 10.936 ( 9.998 9.339 4.303) 14.342 11.113 ( -1.098 -5.669 0.849) 5.837 11.113 ( -1.098 5.669 0.849) 5.837 11.836 ( 0.640 -3.149 -10.701) 11.173 11.836 ( 0.640 3.149 -10.701) 11.173 12.156 ( -12.158 -9.604 -2.211) 15.650 12.156 ( -12.158 9.604 -2.211) 15.650 12.631 ( 6.090 -2.051 0.252) 6.431 12.631 ( 6.090 2.051 0.252) 6.431 12.776 ( -0.517 -2.861 4.863) 5.666 12.776 ( -0.517 2.861 4.863) 5.666 13.264 ( 11.031 -6.120 -4.601) 13.427 13.264 ( 11.031 6.120 -4.601) 13.427 13.791 ( -12.180 -10.436 -0.351) 16.043 13.791 ( -12.180 10.436 -0.351) 16.043 13.996 ( 5.029 -18.650 -1.127) 19.349 13.996 ( 5.029 18.650 -1.127) 19.349 14.328 ( -11.057 -19.786 -2.323) 22.785 14.328 ( -11.057 19.786 -2.323) 22.785 14.779 ( 2.672 -6.027 -0.365) 6.602 14.779 ( 2.672 6.027 -0.365) 6.602 15.035 ( -7.247 -15.780 0.988) 17.393 15.035 ( -7.247 15.780 0.988) 17.393 15.549 ( 0.330 -12.490 -1.352) 12.568 15.549 ( 0.330 12.490 -1.352) 12.568 15.642 ( -3.605 -9.151 -3.093) 10.311 15.642 ( -3.605 9.151 -3.093) 10.311 16.566 ( 4.600 -3.783 1.027) 6.044 16.566 ( 4.600 3.783 1.027) 6.044 16.705 ( 0.236 -5.276 -1.125) 5.400 16.705 ( 0.236 5.276 -1.125) 5.400 16.919 ( 4.966 -6.530 2.425) 8.554 16.919 ( 4.966 6.530 2.425) 8.554 17.190 ( -5.586 -3.237 1.032) 6.538 17.190 ( -5.586 3.237 1.032) 6.538 17.586 ( 8.834 -12.917 -0.622) 15.662 17.586 ( 8.834 12.917 -0.622) 15.662 17.846 ( -1.842 -13.195 -5.419) 14.383 17.846 ( -1.842 13.195 -5.419) 14.383 19.876 ( 11.786 -8.906 3.471) 15.175 19.876 ( 11.786 8.906 3.471) 15.175 20.381 ( -9.448 -6.135 3.268) 11.730 20.381 ( -9.448 6.135 3.268) 11.730 21.332 ( -1.003 -8.312 -0.207) 8.375 21.332 ( -1.003 8.312 -0.207) 8.375 21.409 ( -3.668 -15.758 -0.361) 16.183 21.409 ( -3.668 15.758 -0.361) 16.183 24.386 ( 2.880 -21.064 1.382) 21.305 24.386 ( 2.880 21.064 1.382) 21.305 24.502 ( -1.800 -18.478 1.819) 18.654 24.502 ( -1.800 18.478 1.819) 18.654 25.912 ( 3.456 -7.455 -5.721) 10.013 25.912 ( 3.456 7.455 -5.721) 10.013 26.042 ( -2.724 -2.809 -3.071) 4.974 26.042 ( -2.724 2.809 -3.071) 4.974 26.660 ( 12.386 -10.014 1.717) 16.020 26.660 ( 12.386 10.014 1.717) 16.020 26.959 ( -2.130 -7.405 6.490) 10.075 26.959 ( -2.130 7.405 6.490) 10.075 27.450 ( 0.303 -3.527 -0.209) 3.546 27.450 ( 0.303 3.527 -0.209) 3.546 27.591 ( -6.470 -1.331 0.539) 6.627 27.591 ( -6.470 1.331 0.539) 6.627 27.682 ( 1.314 -3.022 5.265) 6.212 27.682 ( 1.314 3.022 5.265) 6.212 27.875 ( -6.748 -2.971 5.032) 8.926 27.875 ( -6.748 2.971 5.032) 8.926 28.441 ( 1.602 -4.379 -2.639) 5.358 28.441 ( 1.602 4.379 -2.639) 5.358 28.481 ( -0.118 -4.846 -0.458) 4.869 28.481 ( -0.118 4.846 -0.458) 4.869 28.819 ( 2.394 -5.696 -4.715) 7.772 28.819 ( 2.394 5.696 -4.715) 7.772 28.919 ( -2.190 -4.060 -0.879) 4.696 28.919 ( -2.190 4.060 -0.879) 4.696 29.438 ( 1.570 -4.784 -1.436) 5.236 29.438 ( 1.570 4.784 -1.436) 5.236 29.500 ( -0.981 -3.924 -0.069) 4.046 29.500 ( -0.981 3.924 -0.069) 4.046 30.032 ( 3.685 -2.756 0.760) 4.664 30.032 ( 3.685 2.756 0.760) 4.664 30.206 ( -3.720 -5.149 -0.442) 6.368 30.206 ( -3.720 5.149 -0.442) 6.368 32.001 ( 4.457 -6.572 0.341) 7.948 32.001 ( 4.457 6.572 0.341) 7.948 32.185 ( -2.589 -11.169 6.165) 13.017 32.185 ( -2.589 11.169 6.165) 13.017 32.508 ( 2.998 -6.546 -2.485) 7.617 32.508 ( 2.998 6.546 -2.485) 7.617 32.717 ( -7.422 -8.114 0.318) 11.001 32.717 ( -7.422 8.114 0.318) 11.001 33.092 ( -3.370 -4.141 -8.845) 10.332 33.092 ( -3.370 4.141 -8.845) 10.332 33.239 ( -10.023 -6.846 -3.206) 12.554 33.239 ( -10.023 6.846 -3.206) 12.554 34.364 ( 10.336 -11.115 -0.306) 15.181 34.364 ( 10.336 11.115 -0.306) 15.181 34.498 ( 3.525 -11.117 6.278) 13.245 34.498 ( 3.525 11.117 6.278) 13.245 ======================= Grid point 76 (32/64) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -1.372 -15.939 -1.598) 16.078 2.064 ( 1.149 -15.935 -1.598) 16.056 2.064 ( -1.149 15.935 -1.598) 16.056 2.064 ( 1.372 15.939 -1.598) 16.078 2.356 ( -2.697 -7.641 -2.037) 8.355 2.356 ( 2.317 -7.610 -2.037) 8.211 2.356 ( -2.317 7.610 -2.037) 8.211 2.356 ( 2.697 7.641 -2.037) 8.355 2.669 ( -1.711 -3.647 0.366) 4.045 2.669 ( 0.760 -3.566 0.366) 3.664 2.669 ( -0.760 3.566 0.366) 3.664 2.669 ( 1.711 3.647 0.366) 4.045 3.480 ( -12.550 -6.429 9.757) 17.148 3.480 ( 0.842 -1.459 9.757) 9.902 3.480 ( -0.842 1.459 9.757) 9.902 3.480 ( 12.550 6.429 9.757) 17.148 4.166 ( -7.050 -9.519 0.478) 11.856 4.166 ( 2.837 -8.956 0.478) 9.406 4.166 ( -2.837 8.956 0.478) 9.406 4.166 ( 7.050 9.519 0.478) 11.856 4.516 ( -4.901 -18.706 12.416) 22.980 4.516 ( 4.556 -18.684 12.416) 22.891 4.516 ( -4.556 18.684 12.416) 22.891 4.516 ( 4.901 18.706 12.416) 22.980 5.270 ( -2.972 -8.395 -3.690) 9.640 5.270 ( 1.517 -8.298 -3.690) 9.207 5.270 ( -1.517 8.298 -3.690) 9.207 5.270 ( 2.972 8.395 -3.690) 9.640 5.814 ( -3.847 -9.459 -1.660) 10.345 5.814 ( 3.236 -9.401 -1.660) 10.080 5.814 ( -3.236 9.401 -1.660) 10.080 5.814 ( 3.847 9.459 -1.660) 10.345 6.227 ( -12.171 -21.161 3.377) 24.644 6.227 ( 10.450 -20.930 3.377) 23.636 6.227 ( -10.450 20.930 3.377) 23.636 6.227 ( 12.171 21.161 3.377) 24.644 7.082 ( -7.445 -3.564 1.836) 8.456 7.082 ( -2.794 -0.893 1.836) 3.461 7.082 ( 2.795 0.893 1.836) 3.461 7.082 ( 7.445 3.564 1.836) 8.456 8.360 ( -6.356 -6.462 -7.302) 11.639 8.360 ( 6.205 -6.425 -7.302) 11.537 8.360 ( -6.205 6.425 -7.302) 11.537 8.360 ( 6.356 6.462 -7.302) 11.639 9.153 ( -11.520 -3.511 -8.533) 14.760 9.153 ( -10.162 -2.228 -8.533) 13.455 9.153 ( 10.162 2.228 -8.533) 13.455 9.153 ( 11.520 3.511 -8.533) 14.760 9.676 ( -7.724 -2.740 5.446) 9.840 9.676 ( -6.686 1.941 5.446) 8.839 9.676 ( 6.686 -1.941 5.446) 8.839 9.676 ( 7.724 2.740 5.446) 9.840 10.569 ( -3.967 -11.698 5.675) 13.594 10.569 ( 3.390 -11.653 5.675) 13.398 10.569 ( -3.390 11.653 5.675) 13.398 10.569 ( 3.967 11.698 5.675) 13.594 11.077 ( -3.555 -7.831 2.157) 8.867 11.077 ( 3.481 -7.823 2.157) 8.830 11.077 ( -3.481 7.823 2.157) 8.830 11.077 ( 3.555 7.831 2.157) 8.867 11.929 ( -8.812 -6.744 -7.428) 13.353 11.929 ( 8.805 -6.742 -7.428) 13.348 11.929 ( -8.805 6.742 -7.428) 13.348 11.929 ( 8.812 6.744 -7.428) 13.353 12.735 ( -1.297 -8.774 2.003) 9.093 12.735 ( -0.178 -8.750 2.003) 8.978 12.735 ( 0.178 8.750 2.003) 8.978 12.735 ( 1.297 8.774 2.003) 9.093 13.518 ( -13.639 -7.639 -2.690) 15.863 13.518 ( 12.937 -7.327 -2.690) 15.109 13.518 ( -12.937 7.327 -2.690) 15.109 13.518 ( 13.639 7.639 -2.690) 15.863 14.130 ( -8.083 -21.123 -1.596) 22.673 14.130 ( 8.037 -21.118 -1.596) 22.652 14.130 ( -8.037 21.118 -1.596) 22.652 14.130 ( 8.083 21.123 -1.596) 22.673 14.882 ( -6.610 -13.966 0.788) 15.472 14.882 ( 5.932 -13.890 0.788) 15.124 14.882 ( -5.932 13.890 0.788) 15.124 14.882 ( 6.610 13.966 0.788) 15.472 15.579 ( -2.444 -12.293 -1.346) 12.605 15.579 ( 2.441 -12.292 -1.346) 12.604 15.579 ( -2.441 12.292 -1.346) 12.604 15.579 ( 2.444 12.293 -1.346) 12.605 16.657 ( -3.925 -3.590 0.264) 5.326 16.657 ( 3.526 -3.485 0.264) 4.965 16.657 ( -3.526 3.485 0.264) 4.965 16.657 ( 3.925 3.590 0.264) 5.326 17.055 ( -7.141 -6.253 1.568) 9.620 17.055 ( 5.616 -5.851 1.568) 8.260 17.055 ( -5.616 5.851 1.568) 8.260 17.055 ( 7.141 6.253 1.568) 9.620 17.754 ( -6.910 -14.057 -3.432) 16.035 17.754 ( 6.909 -14.057 -3.432) 16.034 17.754 ( -6.909 14.057 -3.432) 16.034 17.754 ( 6.910 14.057 -3.432) 16.035 20.142 ( -12.945 -8.711 3.785) 16.056 20.142 ( 4.208 -6.198 3.785) 8.393 20.142 ( -4.208 6.198 3.785) 8.393 20.142 ( 12.945 8.711 3.785) 16.056 21.345 ( -2.073 -13.767 -0.539) 13.932 21.345 ( 2.014 -13.764 -0.539) 13.921 21.345 ( -2.014 13.764 -0.539) 13.921 21.345 ( 2.073 13.767 -0.539) 13.932 24.451 ( -3.040 -20.032 1.102) 20.292 24.451 ( 2.996 -20.031 1.102) 20.283 24.451 ( -2.996 20.031 1.102) 20.283 24.451 ( 3.040 20.032 1.102) 20.292 25.980 ( -3.231 -5.293 -4.912) 7.911 25.980 ( 3.178 -5.285 -4.912) 7.884 25.980 ( -3.178 5.285 -4.912) 7.884 25.980 ( 3.231 5.293 -4.912) 7.911 26.875 ( -6.950 -11.864 5.622) 14.855 26.875 ( 5.672 -11.692 5.622) 14.159 26.875 ( -5.672 11.692 5.622) 14.159 26.875 ( 6.950 11.864 5.622) 14.855 27.471 ( -3.639 -1.782 -1.814) 4.439 27.471 ( -0.760 -0.095 -1.814) 1.970 27.471 ( 0.760 0.095 -1.814) 1.970 27.471 ( 3.639 1.782 -1.814) 4.439 27.755 ( -4.537 -3.124 7.089) 8.978 27.755 ( -0.445 -2.160 7.089) 7.424 27.755 ( 0.445 2.160 7.089) 7.424 27.755 ( 4.537 3.124 7.089) 8.978 28.469 ( -0.494 -9.084 -2.074) 9.330 28.469 ( 0.393 -9.082 -2.074) 9.325 28.469 ( -0.393 9.082 -2.074) 9.325 28.469 ( 0.494 9.084 -2.074) 9.330 28.869 ( -2.525 -4.742 -2.804) 6.060 28.869 ( 2.445 -4.731 -2.804) 6.019 28.869 ( -2.445 4.731 -2.804) 6.019 28.869 ( 2.525 4.742 -2.804) 6.060 29.472 ( -1.609 -4.562 -1.290) 5.007 29.472 ( 1.555 -4.558 -1.290) 4.985 29.472 ( -1.555 4.558 -1.290) 4.985 29.472 ( 1.609 4.562 -1.290) 5.007 30.119 ( -4.439 -4.319 0.350) 6.203 30.119 ( 3.358 -4.067 0.350) 5.286 30.119 ( -3.358 4.067 0.350) 5.286 30.119 ( 4.439 4.319 0.350) 6.203 32.101 ( -4.893 -3.431 2.835) 6.614 32.101 ( 2.040 -2.613 2.835) 4.362 32.101 ( -2.040 2.613 2.835) 4.362 32.101 ( 4.893 3.431 2.835) 6.614 32.593 ( -4.858 -7.198 -1.076) 8.750 32.593 ( 3.875 -7.047 -1.076) 8.114 32.593 ( -3.875 7.047 -1.076) 8.114 32.593 ( 4.858 7.198 -1.076) 8.750 33.094 ( -3.766 -5.844 -5.251) 8.713 33.094 ( 3.613 -5.820 -5.251) 8.632 33.094 ( -3.613 5.820 -5.251) 8.632 33.094 ( 3.766 5.844 -5.251) 8.713 34.503 ( -2.317 -16.003 2.842) 16.417 34.503 ( 1.944 -15.990 2.842) 16.357 34.503 ( -1.944 15.990 2.842) 16.357 34.503 ( 2.317 16.003 2.842) 16.417 ======================= Grid point 98 (33/64) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 0.000 0.000 30.509) 30.509 1.499 ( 0.000 0.000 37.475) 37.475 2.033 ( 0.000 0.000 32.520) 32.520 2.124 ( 0.000 0.000 -11.482) 11.482 2.311 ( 0.000 0.000 -1.435) 1.435 2.469 ( 0.000 0.000 -3.078) 3.078 2.558 ( 0.000 0.000 -18.460) 18.460 2.650 ( 0.000 0.000 -3.708) 3.708 2.875 ( 0.000 0.000 7.301) 7.301 2.902 ( 0.000 0.000 4.766) 4.766 2.923 ( 0.000 0.000 7.300) 7.300 3.141 ( 0.000 0.000 -2.510) 2.510 3.260 ( 0.000 0.000 14.737) 14.737 3.371 ( 0.000 0.000 8.293) 8.293 3.653 ( 0.000 0.000 -12.727) 12.727 3.655 ( 0.000 0.000 -0.762) 0.762 4.036 ( 0.000 0.000 5.001) 5.001 4.040 ( 0.000 0.000 7.448) 7.448 4.197 ( 0.000 0.000 -3.881) 3.881 4.539 ( 0.000 0.000 10.471) 10.471 4.596 ( 0.000 0.000 4.329) 4.329 4.635 ( 0.000 0.000 -18.467) 18.467 4.720 ( 0.000 0.000 -4.883) 4.883 4.881 ( 0.000 0.000 -7.047) 7.047 4.957 ( 0.000 0.000 10.358) 10.358 5.464 ( 0.000 0.000 -15.311) 15.311 5.540 ( 0.000 0.000 16.801) 16.801 5.715 ( 0.000 0.000 19.623) 19.623 5.925 ( 0.000 0.000 -4.703) 4.703 6.022 ( 0.000 0.000 -1.093) 1.093 6.138 ( 0.000 0.000 0.788) 0.788 6.375 ( 0.000 0.000 21.999) 21.999 6.637 ( 0.000 0.000 -26.433) 26.433 6.772 ( 0.000 0.000 24.158) 24.158 7.070 ( 0.000 0.000 12.080) 12.080 7.132 ( 0.000 0.000 -6.234) 6.234 7.277 ( 0.000 0.000 9.821) 9.821 7.305 ( 0.000 0.000 3.884) 3.884 7.341 ( 0.000 0.000 -31.130) 31.130 7.696 ( 0.000 0.000 -8.813) 8.813 7.960 ( 0.000 0.000 -3.637) 3.637 8.147 ( 0.000 0.000 -20.431) 20.431 8.193 ( 0.000 0.000 0.674) 0.674 8.412 ( 0.000 0.000 -35.896) 35.896 8.455 ( 0.000 0.000 18.231) 18.231 8.665 ( 0.000 0.000 1.051) 1.051 8.686 ( 0.000 0.000 -0.307) 0.307 9.506 ( 0.000 0.000 -13.543) 13.543 9.534 ( 0.000 0.000 25.730) 25.730 9.668 ( 0.000 0.000 6.279) 6.279 9.761 ( 0.000 0.000 0.945) 0.945 10.009 ( 0.000 0.000 13.038) 13.038 10.164 ( 0.000 0.000 -8.160) 8.160 10.297 ( 0.000 0.000 33.800) 33.800 10.437 ( 0.000 0.000 -6.028) 6.028 10.621 ( 0.000 0.000 -10.082) 10.082 10.943 ( 0.000 0.000 -14.929) 14.929 11.104 ( 0.000 0.000 -7.451) 7.451 11.248 ( 0.000 0.000 5.068) 5.068 11.513 ( 0.000 0.000 -9.272) 9.272 11.874 ( 0.000 0.000 1.165) 1.165 11.889 ( 0.000 0.000 2.243) 2.243 11.939 ( 0.000 0.000 -3.461) 3.461 11.952 ( 0.000 0.000 -1.871) 1.871 12.322 ( 0.000 0.000 7.532) 7.532 12.617 ( 0.000 0.000 -9.240) 9.240 12.755 ( 0.000 0.000 6.239) 6.239 12.849 ( 0.000 0.000 1.700) 1.700 12.958 ( 0.000 0.000 20.077) 20.077 13.067 ( 0.000 0.000 -4.421) 4.421 13.077 ( 0.000 0.000 -1.836) 1.836 13.215 ( 0.000 0.000 -2.065) 2.065 13.323 ( 0.000 0.000 -9.208) 9.208 13.607 ( 0.000 0.000 2.782) 2.782 13.985 ( 0.000 0.000 10.367) 10.367 14.393 ( 0.000 0.000 -12.089) 12.089 14.807 ( 0.000 0.000 2.334) 2.334 15.056 ( 0.000 0.000 3.903) 3.903 15.281 ( 0.000 0.000 -6.741) 6.741 15.284 ( 0.000 0.000 -16.281) 16.281 15.355 ( 0.000 0.000 6.571) 6.571 15.485 ( 0.000 0.000 8.622) 8.622 15.764 ( 0.000 0.000 -9.602) 9.602 15.852 ( 0.000 0.000 -10.272) 10.272 16.557 ( 0.000 0.000 2.265) 2.265 16.595 ( 0.000 0.000 0.558) 0.558 16.669 ( 0.000 0.000 -2.841) 2.841 16.683 ( 0.000 0.000 -4.811) 4.811 17.020 ( 0.000 0.000 4.529) 4.529 17.138 ( 0.000 0.000 -0.640) 0.640 17.289 ( 0.000 0.000 6.243) 6.243 17.422 ( 0.000 0.000 -3.575) 3.575 17.567 ( 0.000 0.000 2.449) 2.449 17.656 ( 0.000 0.000 -0.348) 0.348 18.117 ( 0.000 0.000 6.337) 6.337 18.306 ( 0.000 0.000 -2.316) 2.316 19.330 ( 0.000 0.000 0.837) 0.837 19.462 ( 0.000 0.000 -6.697) 6.697 20.372 ( 0.000 0.000 4.290) 4.290 20.863 ( 0.000 0.000 0.950) 0.950 20.889 ( 0.000 0.000 -21.054) 21.054 20.894 ( 0.000 0.000 0.483) 0.483 21.543 ( 0.000 0.000 21.174) 21.174 22.139 ( 0.000 0.000 -8.681) 8.681 23.030 ( 0.000 0.000 22.839) 22.839 24.027 ( 0.000 0.000 -27.572) 27.572 24.467 ( 0.000 0.000 25.575) 25.575 25.446 ( 0.000 0.000 -23.716) 23.716 25.513 ( 0.000 0.000 11.090) 11.090 25.919 ( 0.000 0.000 4.207) 4.207 25.999 ( 0.000 0.000 2.900) 2.900 26.018 ( 0.000 0.000 12.326) 12.326 26.047 ( 0.000 0.000 -15.946) 15.946 26.458 ( 0.000 0.000 -7.396) 7.396 27.022 ( 0.000 0.000 10.774) 10.774 27.132 ( 0.000 0.000 9.173) 9.173 27.456 ( 0.000 0.000 -8.854) 8.854 27.535 ( 0.000 0.000 -5.666) 5.666 27.593 ( 0.000 0.000 6.700) 6.700 27.745 ( 0.000 0.000 6.721) 6.721 27.809 ( 0.000 0.000 -5.334) 5.334 27.853 ( 0.000 0.000 -0.695) 0.695 27.906 ( 0.000 0.000 -8.047) 8.047 27.952 ( 0.000 0.000 15.690) 15.690 28.033 ( 0.000 0.000 -6.855) 6.855 28.537 ( 0.000 0.000 -6.653) 6.653 28.557 ( 0.000 0.000 13.683) 13.683 28.721 ( 0.000 0.000 1.026) 1.026 28.766 ( 0.000 0.000 -0.816) 0.816 28.937 ( 0.000 0.000 -12.671) 12.671 29.228 ( 0.000 0.000 2.379) 2.379 29.238 ( 0.000 0.000 3.061) 3.061 29.333 ( 0.000 0.000 -2.670) 2.670 29.426 ( 0.000 0.000 -5.811) 5.811 29.785 ( 0.000 0.000 2.999) 2.999 29.883 ( 0.000 0.000 -2.023) 2.023 29.918 ( 0.000 0.000 0.620) 0.620 29.961 ( 0.000 0.000 0.052) 0.052 30.145 ( 0.000 0.000 0.479) 0.479 30.171 ( 0.000 0.000 -0.838) 0.838 31.490 ( 0.000 0.000 10.614) 10.614 31.628 ( 0.000 0.000 21.057) 21.057 31.880 ( 0.000 0.000 -8.624) 8.624 32.369 ( 0.000 0.000 -14.620) 14.620 32.376 ( 0.000 0.000 9.231) 9.231 32.754 ( 0.000 0.000 -11.383) 11.383 33.050 ( 0.000 0.000 0.197) 0.197 33.153 ( 0.000 0.000 -4.764) 4.764 33.288 ( 0.000 0.000 3.409) 3.409 33.305 ( 0.000 0.000 -0.861) 0.861 33.493 ( 0.000 0.000 5.500) 5.500 33.541 ( 0.000 0.000 4.552) 4.552 33.643 ( 0.000 0.000 -2.535) 2.535 33.839 ( 0.000 0.000 -6.616) 6.616 34.423 ( 0.000 0.000 7.836) 7.836 34.805 ( 0.000 0.000 -10.477) 10.477 ======================= Grid point 99 (34/64) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 15.282 0.000 24.583) 28.946 1.661 ( 14.807 0.000 31.616) 34.912 2.065 ( 2.266 0.000 22.333) 22.447 2.175 ( 5.338 0.000 -7.394) 9.120 2.334 ( 1.938 0.000 -0.705) 2.063 2.508 ( 3.528 0.000 -2.123) 4.118 2.577 ( 2.126 0.000 -16.045) 16.186 2.620 ( -2.057 0.000 -2.186) 3.001 2.808 ( -5.751 0.000 7.622) 9.548 2.900 ( 0.262 0.000 5.671) 5.677 2.946 ( 1.448 0.000 5.213) 5.411 2.988 ( -7.553 0.000 6.483) 9.954 3.370 ( 5.069 0.000 4.408) 6.718 3.426 ( 5.464 0.000 8.556) 10.151 3.621 ( -2.152 0.000 2.792) 3.525 3.749 ( 6.261 0.000 -11.548) 13.136 3.934 ( -9.698 0.000 3.333) 10.255 4.206 ( 14.592 0.000 6.879) 16.132 4.224 ( -0.059 0.000 -8.319) 8.320 4.400 ( -8.516 0.000 8.253) 11.860 4.544 ( -2.371 0.000 6.738) 7.143 4.752 ( 2.088 0.000 -3.889) 4.414 4.810 ( 9.680 0.000 -15.931) 18.641 4.832 ( -2.493 0.000 -8.015) 8.393 4.960 ( -0.515 0.000 9.421) 9.435 5.314 ( -15.298 0.000 -5.570) 16.281 5.556 ( 1.128 0.000 11.612) 11.667 5.602 ( -8.789 0.000 20.076) 21.915 5.752 ( -7.052 0.000 3.710) 7.969 6.052 ( -4.712 0.000 2.177) 5.191 6.162 ( 6.370 0.000 -14.035) 15.413 6.371 ( -1.808 0.000 18.855) 18.942 6.636 ( -0.196 0.000 -24.861) 24.861 6.737 ( -9.015 0.000 9.849) 13.352 7.042 ( -8.521 0.000 -7.946) 11.651 7.043 ( -1.313 0.000 7.905) 8.014 7.116 ( -8.687 0.000 5.257) 10.154 7.256 ( -0.877 0.000 -12.243) 12.274 7.544 ( 15.895 0.000 10.651) 19.134 7.764 ( 2.623 0.000 -4.174) 4.930 7.982 ( -1.099 0.000 4.373) 4.509 8.111 ( -5.688 0.000 -4.029) 6.970 8.201 ( 4.855 0.000 -19.101) 19.709 8.310 ( 1.710 0.000 -21.125) 21.194 8.696 ( 2.321 0.000 1.403) 2.713 8.723 ( 12.674 0.000 2.777) 12.974 8.734 ( 3.691 0.000 0.054) 3.691 9.235 ( -10.624 0.000 7.446) 12.974 9.698 ( 3.346 0.000 6.276) 7.112 9.801 ( 10.344 0.000 9.822) 14.265 9.824 ( 5.360 0.000 0.328) 5.370 10.006 ( -0.024 0.000 10.636) 10.636 10.066 ( -7.795 0.000 3.593) 8.583 10.362 ( 6.782 0.000 1.726) 6.999 10.392 ( -4.321 0.000 -6.464) 7.775 10.736 ( 7.891 0.000 2.532) 8.287 10.907 ( 2.373 0.000 -12.799) 13.017 11.176 ( 2.233 0.000 -17.774) 17.914 11.251 ( 0.623 0.000 5.285) 5.321 11.519 ( 0.067 0.000 -7.193) 7.193 11.831 ( -3.021 0.000 1.840) 3.537 11.885 ( -1.788 0.000 2.051) 2.721 11.911 ( 1.278 0.000 -0.961) 1.599 12.017 ( 3.036 0.000 -0.704) 3.117 12.327 ( 0.806 0.000 8.484) 8.522 12.617 ( -1.045 0.000 -7.881) 7.950 12.713 ( -4.042 0.000 6.509) 7.661 12.728 ( -7.747 0.000 5.164) 9.311 12.885 ( -6.812 0.000 21.730) 22.773 13.010 ( -4.965 0.000 -5.549) 7.446 13.035 ( -4.935 0.000 -9.610) 10.803 13.220 ( 2.571 0.000 0.585) 2.637 13.379 ( 3.691 0.000 -7.391) 8.261 13.512 ( -8.810 0.000 0.008) 8.810 13.870 ( -6.454 0.000 11.250) 12.970 14.298 ( -8.270 0.000 -12.057) 14.621 14.863 ( 5.265 0.000 5.129) 7.350 15.083 ( 1.473 0.000 2.652) 3.034 15.257 ( -2.391 0.000 -5.511) 6.007 15.316 ( -1.981 0.000 8.477) 8.705 15.386 ( 7.410 0.000 -15.574) 17.247 15.448 ( -3.101 0.000 8.191) 8.758 15.786 ( 1.598 0.000 -11.320) 11.432 15.791 ( -5.644 0.000 -8.907) 10.544 16.566 ( 1.027 0.000 2.033) 2.278 16.594 ( 0.125 0.000 0.801) 0.811 16.654 ( 0.246 0.000 -0.576) 0.627 16.744 ( 3.938 0.000 -5.660) 6.896 16.983 ( -3.198 0.000 4.728) 5.708 17.126 ( -1.396 0.000 -1.744) 2.234 17.282 ( -0.780 0.000 4.621) 4.686 17.317 ( -5.845 0.000 1.374) 6.004 17.593 ( 2.324 0.000 2.240) 3.228 17.662 ( 0.879 0.000 0.414) 0.971 18.342 ( 13.627 0.000 -0.021) 13.627 18.433 ( 11.294 0.000 -3.884) 11.943 19.375 ( 4.692 0.000 1.491) 4.923 19.534 ( 6.585 0.000 -7.471) 9.959 20.386 ( 1.110 0.000 3.623) 3.789 20.672 ( -12.871 0.000 6.413) 14.380 20.799 ( -7.666 0.000 -13.532) 15.553 20.881 ( -6.075 0.000 -4.978) 7.854 21.604 ( 5.207 0.000 14.350) 15.266 22.094 ( -4.062 0.000 -7.835) 8.826 23.127 ( 9.436 0.000 23.384) 25.216 24.085 ( 3.633 0.000 -19.456) 19.792 24.437 ( -1.574 0.000 15.940) 16.018 25.322 ( -10.471 0.000 -22.572) 24.883 25.545 ( 2.897 0.000 10.916) 11.294 25.946 ( -4.754 0.000 7.918) 9.236 26.012 ( 7.014 0.000 3.565) 7.868 26.044 ( 4.441 0.000 3.901) 5.911 26.104 ( 3.337 0.000 -11.213) 11.699 26.437 ( -2.041 0.000 -8.632) 8.870 27.021 ( -0.072 0.000 9.119) 9.119 27.148 ( 2.953 0.000 9.632) 10.075 27.374 ( -6.618 0.000 -6.310) 9.144 27.528 ( 1.142 0.000 -3.933) 4.096 27.624 ( 1.823 0.000 4.974) 5.297 27.725 ( -1.373 0.000 5.019) 5.203 27.842 ( 2.511 0.000 -3.114) 4.000 27.843 ( -3.282 0.000 -1.261) 3.516 27.957 ( 2.648 0.000 14.020) 14.268 28.011 ( 6.285 0.000 -2.256) 6.677 28.021 ( -1.094 0.000 -5.992) 6.091 28.488 ( -4.374 0.000 0.961) 4.478 28.606 ( 4.987 0.000 9.877) 11.064 28.720 ( 0.028 0.000 0.938) 0.939 28.763 ( -0.294 0.000 -0.819) 0.870 28.946 ( 0.848 0.000 -14.643) 14.668 29.206 ( -2.696 0.000 -2.127) 3.434 29.223 ( -0.335 0.000 1.732) 1.764 29.316 ( -1.573 0.000 -2.613) 3.050 29.389 ( -3.739 0.000 -7.762) 8.615 29.800 ( 1.427 0.000 2.851) 3.189 29.875 ( -4.199 0.000 1.896) 4.607 29.887 ( 0.299 0.000 -1.534) 1.563 29.923 ( -2.440 0.000 -0.213) 2.450 30.146 ( 0.037 0.000 0.276) 0.279 30.169 ( -0.255 0.000 -0.849) 0.887 31.445 ( -3.395 0.000 10.354) 10.897 31.663 ( 3.357 0.000 19.833) 20.115 31.825 ( -5.615 0.000 -8.117) 9.869 32.248 ( -7.097 0.000 1.452) 7.244 32.465 ( 4.101 0.000 -6.067) 7.323 32.738 ( -1.605 0.000 -11.291) 11.405 32.992 ( -13.387 0.000 9.585) 16.464 33.030 ( -1.549 0.000 -0.055) 1.550 33.123 ( -2.710 0.000 -4.481) 5.237 33.284 ( -14.669 0.000 -1.822) 14.782 33.488 ( 5.148 0.000 4.017) 6.530 33.540 ( 4.186 0.000 4.977) 6.503 33.675 ( 2.545 0.000 -2.161) 3.339 33.765 ( -4.170 0.000 -4.670) 6.260 34.656 ( 17.543 0.000 7.572) 19.107 35.104 ( 17.227 0.000 -16.527) 23.873 ======================= Grid point 100 (35/64) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 18.289 0.000 14.039) 23.056 2.034 ( 20.087 0.000 20.923) 29.004 2.130 ( 4.253 0.000 9.537) 10.442 2.272 ( 2.176 0.000 -1.815) 2.834 2.380 ( 2.591 0.000 -2.144) 3.363 2.574 ( 2.698 0.000 1.327) 3.006 2.631 ( 3.341 0.000 -1.367) 3.610 2.638 ( -0.696 0.000 -1.023) 1.237 2.681 ( -2.993 0.000 -1.495) 3.346 2.862 ( -5.112 0.000 2.864) 5.859 2.913 ( 1.123 0.000 5.461) 5.576 2.965 ( 0.220 0.000 2.909) 2.918 3.475 ( -3.227 0.000 3.156) 4.514 3.491 ( 8.066 0.000 8.102) 11.433 3.659 ( -7.892 0.000 10.801) 13.377 3.703 ( 4.326 0.000 -1.887) 4.720 3.887 ( 8.291 0.000 -5.276) 9.827 4.072 ( -15.803 0.000 10.799) 19.140 4.150 ( -6.899 0.000 -9.014) 11.351 4.529 ( -15.775 0.000 -9.334) 18.329 4.529 ( 0.749 0.000 11.420) 11.445 4.715 ( 20.614 0.000 3.208) 20.862 4.805 ( 0.943 0.000 -2.860) 3.012 4.868 ( -10.606 0.000 14.354) 17.847 4.995 ( -7.920 0.000 6.059) 9.972 5.130 ( 12.349 0.000 -17.420) 21.353 5.511 ( 2.777 0.000 16.088) 16.326 5.582 ( 1.457 0.000 4.623) 4.847 5.665 ( -2.770 0.000 0.191) 2.777 5.939 ( -5.941 0.000 -7.668) 9.700 6.249 ( -12.035 0.000 19.268) 22.718 6.291 ( 7.064 0.000 -17.703) 19.060 6.507 ( -15.385 0.000 -3.655) 15.814 6.590 ( -5.033 0.000 -24.375) 24.889 6.821 ( 0.015 0.000 0.046) 0.048 6.989 ( -2.774 0.000 5.903) 6.522 7.020 ( -1.655 0.000 4.106) 4.427 7.288 ( -5.150 0.000 -10.378) 11.586 7.851 ( 10.082 0.000 12.387) 15.971 7.877 ( 15.185 0.000 11.342) 18.953 7.932 ( -2.181 0.000 2.357) 3.211 7.992 ( -4.482 0.000 -3.226) 5.523 8.275 ( -0.202 0.000 -5.632) 5.635 8.347 ( -3.771 0.000 -8.644) 9.430 8.744 ( 2.572 0.000 -0.283) 2.588 8.796 ( 1.826 0.000 0.139) 1.831 8.896 ( 7.271 0.000 6.355) 9.657 9.153 ( 0.118 0.000 -2.215) 2.218 9.801 ( 6.336 0.000 4.867) 7.990 9.897 ( -0.564 0.000 14.459) 14.470 9.914 ( -5.322 0.000 3.345) 6.286 9.952 ( 6.585 0.000 0.074) 6.585 10.002 ( -0.630 0.000 3.770) 3.822 10.271 ( -7.268 0.000 -6.014) 9.433 10.575 ( 13.341 0.000 -21.530) 25.329 10.897 ( 9.698 0.000 7.517) 12.270 11.029 ( 1.397 0.000 -16.996) 17.053 11.147 ( -1.684 0.000 -15.552) 15.643 11.289 ( 3.283 0.000 5.983) 6.825 11.483 ( -3.982 0.000 0.340) 3.996 11.802 ( 1.177 0.000 -1.950) 2.278 11.871 ( 0.776 0.000 8.159) 8.196 11.920 ( -0.994 0.000 -4.305) 4.418 12.060 ( -0.009 0.000 -0.677) 0.677 12.363 ( 2.687 0.000 8.924) 9.320 12.522 ( -5.674 0.000 4.527) 7.258 12.601 ( -5.437 0.000 10.892) 12.174 12.682 ( 1.620 0.000 -5.522) 5.754 12.727 ( -7.648 0.000 16.413) 18.108 12.898 ( -7.593 0.000 -12.008) 14.207 12.953 ( 0.791 0.000 -6.101) 6.152 13.287 ( -12.266 0.000 -3.548) 12.769 13.298 ( 4.506 0.000 0.915) 4.598 13.428 ( 0.355 0.000 -3.270) 3.289 13.824 ( 2.075 0.000 2.087) 2.943 14.108 ( -9.510 0.000 -10.522) 14.183 14.998 ( 7.288 0.000 9.445) 11.930 15.104 ( 0.807 0.000 1.913) 2.076 15.192 ( -3.569 0.000 -1.980) 4.081 15.246 ( -4.437 0.000 11.251) 12.094 15.403 ( 0.009 0.000 5.411) 5.411 15.571 ( 9.304 0.000 -14.872) 17.542 15.641 ( -8.573 0.000 -5.334) 10.097 15.799 ( -0.998 0.000 -13.806) 13.842 16.593 ( 1.334 0.000 1.818) 2.255 16.604 ( 0.646 0.000 1.388) 1.531 16.684 ( 2.635 0.000 2.384) 3.553 16.807 ( 0.529 0.000 -1.817) 1.893 16.928 ( -0.173 0.000 0.663) 0.686 17.076 ( -3.489 0.000 -3.674) 5.067 17.242 ( -1.506 0.000 2.592) 2.997 17.262 ( -1.310 0.000 2.176) 2.540 17.645 ( 2.429 0.000 2.270) 3.324 17.682 ( 0.719 0.000 1.297) 1.483 18.565 ( 8.603 0.000 -0.644) 8.627 18.635 ( 6.384 0.000 -5.006) 8.113 19.519 ( 9.091 0.000 1.988) 9.306 19.689 ( 6.787 0.000 -7.682) 10.251 20.416 ( 2.160 0.000 3.211) 3.870 20.421 ( -9.385 0.000 7.662) 12.115 20.629 ( -8.216 0.000 -4.009) 9.141 20.665 ( -13.704 0.000 -5.864) 14.906 21.727 ( 6.527 0.000 4.905) 8.165 21.990 ( -5.899 0.000 -5.893) 8.338 23.392 ( 15.855 0.000 22.969) 27.910 24.026 ( -10.484 0.000 12.261) 16.132 24.521 ( 10.438 0.000 -17.485) 20.364 25.071 ( -13.610 0.000 -23.646) 27.283 25.621 ( 4.386 0.000 11.271) 12.095 25.837 ( -5.760 0.000 11.014) 12.429 26.138 ( 5.510 0.000 6.842) 8.785 26.165 ( 5.521 0.000 4.539) 7.147 26.180 ( 4.270 0.000 -13.600) 14.255 26.373 ( -4.204 0.000 -11.368) 12.121 27.027 ( 1.139 0.000 4.705) 4.841 27.223 ( -7.642 0.000 -4.156) 8.699 27.275 ( 8.891 0.000 6.262) 10.874 27.567 ( 0.214 0.000 -6.485) 6.488 27.653 ( 1.128 0.000 4.967) 5.093 27.698 ( -1.253 0.000 4.871) 5.030 27.780 ( -0.823 0.000 10.304) 10.337 27.895 ( 2.611 0.000 -2.018) 3.300 27.958 ( -2.538 0.000 17.074) 17.262 27.990 ( -1.921 0.000 -4.033) 4.467 28.129 ( 5.058 0.000 2.211) 5.520 28.374 ( -6.442 0.000 9.821) 11.745 28.724 ( 0.395 0.000 0.533) 0.664 28.753 ( -0.720 0.000 -0.652) 0.971 28.758 ( 9.086 0.000 0.124) 9.087 28.969 ( 0.875 0.000 -20.829) 20.848 29.147 ( -2.442 0.000 -3.998) 4.685 29.222 ( 0.302 0.000 0.237) 0.384 29.276 ( -2.075 0.000 -2.226) 3.043 29.285 ( -6.049 0.000 -8.894) 10.756 29.805 ( -1.679 0.000 1.891) 2.529 29.836 ( 1.927 0.000 2.255) 2.966 29.868 ( -2.951 0.000 -0.932) 3.095 29.888 ( -0.311 0.000 -0.304) 0.435 30.148 ( 0.200 0.000 -0.203) 0.285 30.162 ( -0.391 0.000 -0.827) 0.915 31.404 ( 0.346 0.000 5.492) 5.503 31.660 ( -9.741 0.000 -6.006) 11.444 31.762 ( 6.359 0.000 16.503) 17.686 32.087 ( -8.510 0.000 6.681) 10.819 32.545 ( 3.892 0.000 -9.045) 9.847 32.691 ( -2.910 0.000 -11.166) 11.539 32.842 ( -1.963 0.000 8.155) 8.388 33.006 ( -0.522 0.000 -0.794) 0.950 33.023 ( -10.102 0.000 0.995) 10.151 33.061 ( -2.926 0.000 -3.412) 4.495 33.585 ( 4.345 0.000 0.568) 4.382 33.637 ( 4.684 0.000 3.363) 5.766 33.709 ( -1.923 0.000 -2.801) 3.398 33.719 ( 1.178 0.000 -0.877) 1.468 34.997 ( 14.666 0.000 4.552) 15.356 35.299 ( 2.103 0.000 -10.956) 11.156 ======================= Grid point 101 (36/64) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -5.317 0.000 5.854) 7.909 2.139 ( 5.317 0.000 5.854) 7.909 2.360 ( -5.774 0.000 0.567) 5.802 2.360 ( 5.774 0.000 0.567) 5.802 2.411 ( -15.914 0.000 12.441) 20.200 2.411 ( 15.914 0.000 12.441) 20.200 2.651 ( -2.931 0.000 0.646) 3.001 2.651 ( 2.931 0.000 0.646) 3.001 2.766 ( -4.890 0.000 -4.591) 6.708 2.766 ( 4.890 0.000 -4.591) 6.708 2.948 ( -1.933 0.000 3.252) 3.783 2.948 ( 1.933 0.000 3.252) 3.783 3.447 ( -4.274 0.000 2.634) 5.020 3.447 ( 4.274 0.000 2.634) 5.020 3.726 ( -14.928 0.000 13.232) 19.948 3.726 ( 14.928 0.000 13.232) 19.948 3.950 ( -12.361 0.000 -2.878) 12.692 3.950 ( 12.361 0.000 -2.878) 12.692 4.158 ( -16.582 0.000 -5.292) 17.406 4.158 ( 16.582 0.000 -5.292) 17.406 4.602 ( -7.661 0.000 17.580) 19.176 4.602 ( 7.661 0.000 17.580) 19.176 4.902 ( -3.997 0.000 2.060) 4.497 4.902 ( 3.997 0.000 2.060) 4.497 5.108 ( -13.196 0.000 -5.190) 14.180 5.108 ( 13.196 0.000 -5.190) 14.180 5.617 ( -2.055 0.000 0.673) 2.162 5.617 ( 2.055 0.000 0.673) 2.162 5.753 ( -14.776 0.000 -4.503) 15.447 5.753 ( 14.776 0.000 -4.503) 15.447 6.166 ( -10.008 0.000 7.769) 12.670 6.166 ( 10.009 0.000 7.769) 12.670 6.449 ( -8.018 0.000 -20.242) 21.772 6.449 ( 8.018 0.000 -20.242) 21.772 6.984 ( -1.486 0.000 3.463) 3.769 6.984 ( 1.486 0.000 3.463) 3.769 7.044 ( -15.301 0.000 -3.763) 15.757 7.044 ( 15.301 0.000 -3.763) 15.757 7.918 ( -1.257 0.000 -0.189) 1.271 7.918 ( 1.257 0.000 -0.189) 1.271 8.133 ( -14.692 0.000 10.605) 18.120 8.133 ( 14.692 0.000 10.605) 18.120 8.161 ( -10.439 0.000 6.266) 12.175 8.161 ( 10.439 0.000 6.266) 12.175 8.795 ( -1.798 0.000 -1.176) 2.149 8.795 ( 1.798 0.000 -1.176) 2.149 9.077 ( -8.213 0.000 -3.775) 9.040 9.077 ( 8.213 0.000 -3.775) 9.040 9.869 ( -1.220 0.000 8.555) 8.642 9.869 ( 1.220 0.000 8.555) 8.642 9.928 ( -5.316 0.000 3.331) 6.274 9.928 ( 5.316 0.000 3.331) 6.274 10.114 ( -7.851 0.000 -4.058) 8.837 10.114 ( 7.851 0.000 -4.058) 8.837 10.854 ( -13.022 0.000 -29.058) 31.843 10.854 ( 13.022 0.000 -29.058) 31.843 11.100 ( -7.372 0.000 5.566) 9.238 11.100 ( 7.372 0.000 5.566) 9.238 11.380 ( -5.367 0.000 5.441) 7.643 11.380 ( 5.367 0.000 5.441) 7.643 11.865 ( -3.912 0.000 -4.986) 6.338 11.865 ( 3.912 0.000 -4.986) 6.338 11.964 ( -7.707 0.000 2.240) 8.026 11.964 ( 7.707 0.000 2.240) 8.026 12.429 ( -3.735 0.000 7.607) 8.474 12.429 ( 3.735 0.000 7.607) 8.474 12.593 ( -4.625 0.000 13.300) 14.082 12.593 ( 4.625 0.000 13.300) 14.082 12.757 ( -5.667 0.000 -10.375) 11.822 12.757 ( 5.667 0.000 -10.375) 11.822 13.059 ( -9.126 0.000 -5.029) 10.420 13.059 ( 9.126 0.000 -5.029) 10.420 13.387 ( -3.819 0.000 0.056) 3.819 13.387 ( 3.819 0.000 0.056) 3.819 13.931 ( -7.597 0.000 -6.591) 10.058 13.931 ( 7.597 0.000 -6.591) 10.058 15.130 ( -2.182 0.000 1.207) 2.494 15.130 ( 2.182 0.000 1.207) 2.494 15.138 ( -6.241 0.000 11.491) 13.076 15.138 ( 6.241 0.000 11.491) 13.076 15.475 ( -6.720 0.000 -0.219) 6.723 15.475 ( 6.720 0.000 -0.219) 6.723 15.730 ( -5.855 0.000 -14.455) 15.596 15.730 ( 5.855 0.000 -14.455) 15.596 16.610 ( -0.244 0.000 1.756) 1.773 16.610 ( 0.244 0.000 1.756) 1.773 16.754 ( -3.914 0.000 3.551) 5.284 16.754 ( 3.914 0.000 3.551) 5.284 16.991 ( -4.513 0.000 -4.651) 6.480 16.991 ( 4.513 0.000 -4.651) 6.480 17.238 ( -0.799 0.000 1.846) 2.012 17.238 ( 0.799 0.000 1.846) 2.012 17.681 ( -0.927 0.000 2.076) 2.274 17.681 ( 0.927 0.000 2.076) 2.274 18.677 ( -2.028 0.000 -2.908) 3.545 18.677 ( 2.028 0.000 -2.908) 3.545 19.700 ( -6.463 0.000 -1.268) 6.587 19.700 ( 6.463 0.000 -1.268) 6.587 20.408 ( -8.703 0.000 -0.397) 8.712 20.408 ( 8.703 0.000 -0.397) 8.712 20.489 ( -5.259 0.000 1.423) 5.448 20.489 ( 5.259 0.000 1.423) 5.448 21.861 ( -6.599 0.000 -1.892) 6.865 21.861 ( 6.599 0.000 -1.892) 6.865 23.733 ( -16.753 0.000 20.718) 26.644 23.733 ( 16.753 0.000 20.718) 26.644 24.785 ( -14.215 0.000 -24.667) 28.470 24.785 ( 14.215 0.000 -24.667) 28.470 25.721 ( -5.452 0.000 11.688) 12.897 25.721 ( 5.452 0.000 11.688) 12.897 26.214 ( -1.052 0.000 7.007) 7.086 26.214 ( 1.052 0.000 7.007) 7.086 26.276 ( -5.011 0.000 -13.400) 14.306 26.276 ( 5.011 0.000 -13.400) 14.306 27.088 ( -5.101 0.000 -0.634) 5.140 27.088 ( 5.101 0.000 -0.634) 5.140 27.465 ( -8.719 0.000 -0.971) 8.773 27.465 ( 8.719 0.000 -0.971) 8.773 27.674 ( -1.072 0.000 5.094) 5.205 27.674 ( 1.072 0.000 5.094) 5.205 27.858 ( -6.314 0.000 15.119) 16.384 27.858 ( 6.314 0.000 15.119) 16.384 27.946 ( -2.369 0.000 -2.368) 3.350 27.946 ( 2.369 0.000 -2.368) 3.350 28.242 ( -6.226 0.000 10.064) 11.834 28.242 ( 6.226 0.000 10.064) 11.834 28.737 ( -0.778 0.000 -0.133) 0.789 28.737 ( 0.778 0.000 -0.133) 0.789 28.924 ( -6.006 0.000 -14.419) 15.620 28.924 ( 6.006 0.000 -14.419) 15.620 29.166 ( -4.669 0.000 -5.514) 7.226 29.166 ( 4.669 0.000 -5.514) 7.226 29.239 ( -1.432 0.000 -1.259) 1.907 29.239 ( 1.432 0.000 -1.259) 1.907 29.813 ( -2.070 0.000 -0.311) 2.094 29.813 ( 2.070 0.000 -0.311) 2.094 29.871 ( -1.371 0.000 1.126) 1.774 29.871 ( 1.371 0.000 1.126) 1.774 30.154 ( -0.370 0.000 -0.637) 0.737 30.154 ( 0.370 0.000 -0.637) 0.737 31.479 ( -6.956 0.000 -1.347) 7.085 31.479 ( 6.956 0.000 -1.347) 7.085 31.914 ( -8.291 0.000 11.858) 14.469 31.914 ( 8.291 0.000 11.858) 14.469 32.623 ( -3.692 0.000 -10.666) 11.286 32.623 ( 3.692 0.000 -10.666) 11.286 32.875 ( -4.621 0.000 4.371) 6.361 32.875 ( 4.621 0.000 4.371) 6.361 33.015 ( -1.462 0.000 -1.972) 2.455 33.015 ( 1.462 0.000 -1.972) 2.455 33.662 ( -3.050 0.000 -1.160) 3.263 33.662 ( 3.050 0.000 -1.160) 3.263 33.710 ( -2.136 0.000 1.167) 2.434 33.710 ( 2.136 0.000 1.167) 2.434 35.230 ( -7.978 0.000 -2.189) 8.272 35.230 ( 7.978 0.000 -2.189) 8.272 ======================= Grid point 105 (37/64) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 0.000 12.344 26.092) 28.865 1.580 ( 0.000 7.419 28.183) 29.143 2.136 ( 0.000 1.992 -7.022) 7.299 2.216 ( 0.000 -6.714 -7.615) 10.152 2.279 ( 0.000 16.401 12.896) 20.864 2.457 ( 0.000 2.047 2.723) 3.407 2.517 ( 0.000 -1.650 -7.983) 8.151 2.720 ( 0.000 2.205 -5.232) 5.678 2.757 ( 0.000 -6.918 4.823) 8.433 2.811 ( 0.000 -7.749 2.772) 8.230 2.984 ( 0.000 0.941 6.059) 6.131 3.096 ( 0.000 -4.094 -2.220) 4.658 3.209 ( 0.000 -2.279 14.922) 15.095 3.480 ( 0.000 10.696 12.630) 16.551 3.524 ( 0.000 -8.059 -3.518) 8.794 3.866 ( 0.000 9.662 -4.044) 10.475 3.913 ( 0.000 -14.261 9.386) 17.073 3.979 ( 0.000 1.503 1.109) 1.868 4.093 ( 0.000 1.780 0.753) 1.933 4.467 ( 0.000 -7.368 -11.825) 13.933 4.697 ( 0.000 7.214 8.396) 11.069 4.793 ( 0.000 7.429 3.582) 8.247 4.851 ( 0.000 3.280 -1.959) 3.820 4.974 ( 0.000 2.448 5.145) 5.698 4.980 ( 0.000 3.087 -5.791) 6.562 5.395 ( 0.000 -3.522 -9.011) 9.675 5.502 ( 0.000 -11.401 10.295) 15.362 5.528 ( 0.000 -20.744 4.487) 21.224 5.590 ( 0.000 -11.637 7.686) 13.947 5.859 ( 0.000 -6.541 3.307) 7.330 6.102 ( 0.000 -18.998 7.867) 20.562 6.150 ( 0.000 -8.632 -3.155) 9.190 6.444 ( 0.000 1.487 1.877) 2.394 6.657 ( 0.000 -29.151 3.741) 29.390 7.000 ( 0.000 1.434 5.921) 6.092 7.032 ( 0.000 -14.324 3.102) 14.656 7.063 ( 0.000 -5.794 4.010) 7.046 7.307 ( 0.000 0.297 10.036) 10.041 7.444 ( 0.000 9.618 -29.282) 30.821 7.770 ( 0.000 -3.183 -12.026) 12.440 8.059 ( 0.000 -0.343 -14.739) 14.743 8.166 ( 0.000 5.576 1.818) 5.865 8.313 ( 0.000 -5.177 -27.148) 27.637 8.538 ( 0.000 7.458 11.643) 13.826 8.565 ( 0.000 -1.835 -9.380) 9.558 8.679 ( 0.000 1.701 2.338) 2.892 8.708 ( 0.000 25.312 -1.152) 25.338 9.177 ( 0.000 -11.985 14.522) 18.829 9.261 ( 0.000 -34.579 -7.495) 35.382 9.561 ( 0.000 -13.092 -2.162) 13.270 9.866 ( 0.000 8.391 4.499) 9.521 9.927 ( 0.000 12.082 2.454) 12.328 10.160 ( 0.000 -1.982 -0.201) 1.992 10.225 ( 0.000 1.771 22.173) 22.244 10.576 ( 0.000 4.769 3.024) 5.647 10.800 ( 0.000 7.361 -3.391) 8.105 10.958 ( 0.000 -7.263 -3.529) 8.075 11.154 ( 0.000 1.767 -9.594) 9.756 11.294 ( 0.000 7.656 9.281) 12.031 11.404 ( 0.000 -11.926 3.141) 12.333 11.709 ( 0.000 -8.579 -9.379) 12.711 11.782 ( 0.000 1.013 -3.445) 3.591 12.057 ( 0.000 2.387 1.815) 2.999 12.120 ( 0.000 12.351 1.164) 12.406 12.517 ( 0.000 8.976 -5.924) 10.755 12.620 ( 0.000 -5.794 -7.058) 9.131 12.684 ( 0.000 1.523 2.281) 2.743 12.816 ( 0.000 3.008 9.035) 9.523 12.915 ( 0.000 -7.105 -7.549) 10.367 13.101 ( 0.000 14.318 0.885) 14.346 13.205 ( 0.000 3.999 8.508) 9.401 13.291 ( 0.000 13.169 12.309) 18.025 13.718 ( 0.000 6.090 0.674) 6.128 13.749 ( 0.000 26.976 -12.817) 29.866 14.011 ( 0.000 8.835 12.374) 15.204 14.401 ( 0.000 1.942 -10.895) 11.067 14.916 ( 0.000 9.949 0.323) 9.955 14.983 ( 0.000 -6.876 3.858) 7.884 15.184 ( 0.000 -8.826 -4.510) 9.912 15.325 ( 0.000 2.818 -13.140) 13.438 15.405 ( 0.000 -6.024 4.975) 7.813 15.406 ( 0.000 4.314 4.303) 6.093 15.767 ( 0.000 -1.341 -7.361) 7.482 15.780 ( 0.000 -6.785 -10.185) 12.238 16.500 ( 0.000 -3.172 2.151) 3.832 16.553 ( 0.000 -1.464 1.561) 2.141 16.681 ( 0.000 -0.647 -1.826) 1.937 16.709 ( 0.000 1.068 -5.512) 5.615 17.146 ( 0.000 8.001 1.370) 8.118 17.160 ( 0.000 -8.797 4.268) 9.777 17.212 ( 0.000 2.577 -0.688) 2.667 17.250 ( 0.000 -11.703 -1.909) 11.858 17.447 ( 0.000 -9.350 4.299) 10.291 17.576 ( 0.000 -6.179 -1.649) 6.395 18.053 ( 0.000 -5.976 3.630) 6.992 18.127 ( 0.000 -15.019 0.370) 15.023 19.376 ( 0.000 4.518 2.879) 5.358 19.597 ( 0.000 9.074 -8.877) 12.694 20.465 ( 0.000 8.012 2.636) 8.435 20.826 ( 0.000 -5.884 -11.939) 13.310 20.988 ( 0.000 9.289 1.158) 9.361 21.045 ( 0.000 11.444 -2.539) 11.722 21.459 ( 0.000 -4.921 18.350) 18.998 21.950 ( 0.000 -11.868 -7.897) 14.255 23.416 ( 0.000 30.189 18.912) 35.623 24.226 ( 0.000 16.742 -22.923) 28.386 24.416 ( 0.000 -4.298 21.084) 21.518 25.127 ( 0.000 -17.760 -10.119) 20.440 25.731 ( 0.000 6.733 -0.453) 6.749 25.925 ( 0.000 -4.490 8.016) 9.188 25.936 ( 0.000 -0.535 -3.919) 3.955 26.070 ( 0.000 4.539 5.852) 7.406 26.114 ( 0.000 6.721 -7.522) 10.087 26.408 ( 0.000 -4.444 -10.015) 10.956 27.059 ( 0.000 -4.815 9.591) 10.732 27.076 ( 0.000 5.138 10.374) 11.577 27.425 ( 0.000 -6.695 -4.249) 7.929 27.537 ( 0.000 4.935 -9.613) 10.806 27.701 ( 0.000 5.745 6.833) 8.927 27.741 ( 0.000 -0.155 5.380) 5.382 27.803 ( 0.000 -0.935 2.188) 2.380 27.867 ( 0.000 -2.959 2.059) 3.605 27.916 ( 0.000 1.641 -7.277) 7.460 27.918 ( 0.000 4.340 0.369) 4.355 28.056 ( 0.000 0.845 2.544) 2.681 28.509 ( 0.000 -2.711 -7.080) 7.581 28.556 ( 0.000 0.300 10.980) 10.984 28.664 ( 0.000 -7.548 5.220) 9.177 28.706 ( 0.000 -1.663 0.531) 1.745 28.871 ( 0.000 -5.895 -10.345) 11.907 29.131 ( 0.000 -4.277 -2.377) 4.893 29.237 ( 0.000 -8.140 -6.230) 10.251 29.282 ( 0.000 1.061 4.134) 4.268 29.433 ( 0.000 1.115 -2.929) 3.134 29.812 ( 0.000 -0.472 2.753) 2.793 29.851 ( 0.000 -7.350 2.337) 7.713 29.898 ( 0.000 -3.465 1.112) 3.639 29.912 ( 0.000 2.267 -1.255) 2.591 30.135 ( 0.000 -0.035 6.143) 6.143 30.246 ( 0.000 5.148 -1.366) 5.326 31.640 ( 0.000 12.083 -4.885) 13.033 31.655 ( 0.000 1.631 7.685) 7.856 31.897 ( 0.000 4.358 5.327) 6.882 32.387 ( 0.000 1.079 8.029) 8.101 32.438 ( 0.000 5.022 -10.479) 11.620 32.743 ( 0.000 -0.431 -12.626) 12.634 32.969 ( 0.000 -7.982 2.947) 8.509 33.155 ( 0.000 -0.066 -5.207) 5.208 33.191 ( 0.000 -6.306 2.059) 6.633 33.227 ( 0.000 -5.880 -3.116) 6.655 33.496 ( 0.000 -1.161 8.682) 8.759 33.630 ( 0.000 7.016 0.556) 7.038 33.720 ( 0.000 0.130 -4.575) 4.577 33.841 ( 0.000 4.262 -5.278) 6.784 34.382 ( 0.000 -3.065 9.263) 9.757 34.729 ( 0.000 -6.020 -5.764) 8.334 ======================= Grid point 106 (38/64) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 9.130 7.238 25.666) 28.186 1.702 ( 10.700 5.410 21.009) 24.189 2.180 ( 2.321 1.388 -8.179) 8.614 2.211 ( 0.593 -7.612 -6.169) 9.816 2.299 ( 3.303 14.665 11.246) 18.774 2.494 ( 3.239 -0.324 0.385) 3.277 2.530 ( 0.698 -2.128 -4.014) 4.596 2.691 ( -4.442 -6.079 3.277) 8.211 2.726 ( -0.400 2.232 -3.731) 4.366 2.810 ( 0.057 -7.656 2.300) 7.995 2.967 ( -2.623 -1.726 4.279) 5.307 2.992 ( -4.818 0.381 4.776) 6.795 3.270 ( 2.870 -7.386 6.410) 10.192 3.499 ( 0.237 1.897 8.970) 9.171 3.582 ( 7.325 3.654 9.415) 12.476 3.736 ( -3.786 -6.300 -2.090) 7.641 3.892 ( -6.232 -1.745 4.273) 7.756 4.095 ( 1.186 -0.653 -1.588) 2.087 4.221 ( 13.616 2.225 0.897) 13.826 4.536 ( 4.749 -6.085 -7.180) 10.542 4.583 ( -9.243 1.473 7.414) 11.940 4.715 ( -5.855 9.324 -3.711) 11.618 4.846 ( -2.633 0.052 -0.003) 2.634 4.928 ( 1.800 3.425 -0.359) 3.886 5.060 ( 3.490 6.227 2.382) 7.525 5.240 ( -11.479 -4.213 -3.281) 12.660 5.464 ( -3.236 -12.430 11.414) 17.183 5.526 ( 1.414 -6.865 7.074) 9.958 5.596 ( 0.195 -6.409 2.786) 6.991 5.883 ( -2.462 -6.422 -1.219) 6.985 6.059 ( 0.058 -17.408 -5.054) 18.127 6.213 ( 1.247 -17.064 3.845) 17.537 6.406 ( -1.124 0.813 1.863) 2.323 6.707 ( 2.742 -13.441 6.944) 15.375 6.911 ( -7.398 -12.319 4.052) 14.930 7.043 ( -0.153 -12.104 3.016) 12.475 7.080 ( 0.088 -1.536 1.855) 2.410 7.255 ( 1.836 -7.503 4.371) 8.876 7.420 ( -1.840 14.095 -18.867) 23.623 7.857 ( -6.615 -0.148 -9.593) 11.653 7.991 ( 3.717 -3.060 -7.247) 8.701 8.148 ( 1.278 0.429 -15.039) 15.099 8.286 ( 0.487 1.825 -0.069) 1.890 8.457 ( -6.171 4.160 -8.351) 11.186 8.622 ( -0.859 -4.818 -0.603) 4.931 8.758 ( 1.492 11.710 -0.584) 11.819 8.794 ( 8.310 6.156 1.271) 10.420 8.919 ( -7.798 -18.749 4.151) 20.726 9.451 ( 6.027 -28.467 2.811) 29.234 9.692 ( 11.130 -3.628 -0.772) 11.732 9.878 ( 1.005 5.721 6.044) 8.382 9.945 ( 2.108 10.895 1.183) 11.160 10.118 ( -2.423 0.862 10.197) 10.517 10.249 ( 0.962 0.316 3.657) 3.794 10.562 ( 0.604 4.536 -0.464) 4.599 10.916 ( 8.818 7.286 3.328) 11.913 11.000 ( 4.436 -4.122 -6.752) 9.069 11.158 ( 0.129 -0.727 -11.110) 11.135 11.274 ( -0.988 5.627 8.604) 10.328 11.452 ( 4.091 -10.028 3.121) 11.271 11.709 ( -0.412 -2.933 -5.273) 6.048 11.824 ( 3.138 -1.387 -10.532) 11.077 11.942 ( -7.265 0.560 4.518) 8.574 12.167 ( 2.272 9.574 2.998) 10.286 12.536 ( -0.595 6.874 -6.822) 9.703 12.628 ( -1.308 2.610 4.188) 5.104 12.642 ( -0.655 -1.219 -5.035) 5.222 12.797 ( -2.600 2.048 10.981) 11.469 12.848 ( -3.836 -1.072 -6.098) 7.283 12.992 ( -7.889 14.811 2.943) 17.037 13.225 ( -0.617 6.790 8.377) 10.801 13.312 ( 2.523 11.074 3.336) 11.838 13.627 ( -6.853 14.497 -3.025) 16.318 13.744 ( -2.751 19.159 -9.910) 21.745 13.888 ( -8.113 7.376 11.522) 15.906 14.295 ( -8.965 1.245 -10.913) 14.178 14.954 ( 3.744 7.489 3.640) 9.130 15.001 ( 1.338 -6.531 3.098) 7.351 15.155 ( -2.805 -9.303 -3.869) 10.458 15.355 ( -2.193 -3.056 7.618) 8.497 15.388 ( -2.008 0.866 6.550) 6.905 15.430 ( 6.964 3.678 -15.129) 17.056 15.721 ( -5.497 -6.537 -8.829) 12.284 15.780 ( 0.938 -1.827 -9.100) 9.329 16.522 ( 2.175 -2.268 2.062) 3.759 16.564 ( 1.289 -0.576 1.324) 1.935 16.697 ( 1.510 1.481 -1.071) 2.371 16.762 ( 4.552 0.619 -5.588) 7.234 17.053 ( -5.449 1.915 3.148) 6.578 17.142 ( -3.611 -1.445 1.001) 4.016 17.187 ( -1.802 -8.737 2.052) 9.154 17.255 ( 0.247 0.837 -0.225) 0.901 17.482 ( 3.020 -8.953 2.900) 9.884 17.587 ( 0.958 -5.923 -1.070) 6.095 18.195 ( 7.371 -14.332 0.614) 16.128 18.224 ( 10.802 -14.327 -1.814) 18.034 19.438 ( 6.258 5.501 3.731) 9.129 19.675 ( 7.334 9.176 -8.513) 14.507 20.479 ( 1.070 7.817 1.920) 8.120 20.711 ( -10.213 -2.006 -2.420) 10.686 20.871 ( -7.966 10.310 -0.624) 13.044 21.006 ( -6.640 9.975 -4.273) 12.722 21.510 ( 4.418 -6.372 12.911) 15.060 21.920 ( -2.782 -11.683 -7.367) 14.089 23.473 ( 5.779 27.655 19.746) 34.468 24.228 ( -1.446 9.650 -5.145) 11.031 24.450 ( 4.162 3.219 1.645) 5.512 25.083 ( -4.211 -16.036 -12.557) 20.798 25.717 ( -1.122 8.848 0.706) 8.946 25.854 ( -4.354 -6.433 9.543) 12.305 25.980 ( 2.502 -2.494 -7.063) 7.897 26.062 ( 1.490 2.406 3.166) 4.246 26.232 ( 7.436 8.241 -2.270) 11.330 26.414 ( 0.745 -0.947 -8.543) 8.628 27.061 ( -0.941 1.470 9.544) 9.703 27.077 ( 2.643 -2.531 8.729) 9.465 27.444 ( 2.560 -5.570 -3.111) 6.875 27.468 ( -6.338 7.164 -6.343) 11.477 27.670 ( -0.656 1.338 5.140) 5.352 27.739 ( -0.447 1.013 4.270) 4.412 27.819 ( -3.194 -1.785 -1.130) 3.830 27.874 ( 2.205 -3.321 9.145) 9.976 27.933 ( 1.328 5.045 -0.158) 5.219 27.988 ( 4.280 0.250 -4.940) 6.541 28.061 ( 1.353 1.269 2.255) 2.920 28.461 ( -4.115 -2.190 0.839) 4.736 28.598 ( 4.158 -0.471 7.895) 8.935 28.666 ( 0.196 -7.539 -0.741) 7.578 28.707 ( 0.128 -1.768 0.616) 1.876 28.891 ( 1.768 -5.200 -10.835) 12.148 29.120 ( -1.528 -4.862 -4.612) 6.874 29.206 ( -2.518 -7.139 -5.089) 9.122 29.275 ( -0.654 0.609 1.389) 1.651 29.401 ( -2.896 1.492 -3.627) 4.875 29.776 ( -4.129 -7.832 3.722) 9.604 29.834 ( -0.046 -1.596 2.220) 2.734 29.871 ( -1.429 -0.739 -0.005) 1.609 29.933 ( 0.827 2.616 -1.275) 3.025 30.139 ( 0.352 -0.193 4.860) 4.877 30.240 ( -0.686 4.707 -1.437) 4.969 31.605 ( -2.665 12.882 -2.229) 13.342 31.675 ( 1.278 1.512 4.169) 4.616 31.882 ( -1.266 6.984 7.769) 10.523 32.296 ( -6.680 3.791 4.511) 8.908 32.496 ( 3.503 2.564 -6.443) 7.769 32.734 ( -0.996 -0.055 -12.106) 12.147 32.898 ( -8.166 -7.764 8.058) 13.852 33.004 ( -5.351 -3.289 1.204) 6.395 33.094 ( -4.571 -2.539 -5.096) 7.301 33.238 ( -9.089 -4.834 -6.300) 12.069 33.376 ( -3.318 -5.384 6.827) 9.306 33.608 ( -3.489 -0.741 -0.922) 3.684 33.734 ( 3.844 7.322 1.632) 8.429 33.883 ( 4.573 9.892 -3.205) 11.359 34.598 ( 16.326 -5.097 7.694) 18.754 34.968 ( 15.027 -11.419 -10.404) 21.551 ======================= Grid point 107 (39/64) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 14.468 -6.114 18.885) 24.563 1.946 ( 12.046 1.275 10.137) 15.795 2.178 ( -1.745 -4.990 -2.229) 5.737 2.260 ( 4.078 -1.116 -2.424) 4.873 2.392 ( 0.378 1.825 2.779) 3.346 2.512 ( -4.790 -5.467 0.843) 7.317 2.544 ( 2.237 -2.606 0.815) 3.530 2.618 ( 0.521 -4.291 3.108) 5.324 2.743 ( 2.151 2.310 -4.563) 5.548 2.828 ( 0.965 -3.915 -0.088) 4.033 2.895 ( -2.678 -1.531 3.316) 4.529 2.927 ( -2.624 -5.305 1.011) 6.004 3.335 ( 4.836 -7.260 6.722) 11.013 3.511 ( 1.627 0.364 12.833) 12.941 3.630 ( -6.914 -3.699 4.933) 9.264 3.796 ( 8.331 8.462 3.155) 12.286 3.839 ( 6.117 0.654 1.369) 6.302 4.013 ( -8.701 0.947 7.901) 11.791 4.230 ( -9.467 -5.643 3.858) 11.677 4.475 ( -15.719 3.968 -5.131) 17.005 4.565 ( 1.540 0.217 3.958) 4.253 4.669 ( 6.747 -1.216 -5.159) 8.580 4.784 ( -3.172 -1.899 0.611) 3.747 4.954 ( -0.672 3.309 3.660) 4.980 5.075 ( 1.302 7.880 6.782) 10.478 5.212 ( 9.007 3.903 -8.744) 13.146 5.443 ( 1.922 -7.198 11.465) 13.673 5.562 ( 1.822 -6.102 2.024) 6.682 5.597 ( -0.175 -2.608 0.874) 2.756 5.767 ( -6.091 -8.232 -5.133) 11.455 6.054 ( -2.645 -13.747 -8.630) 16.446 6.156 ( -7.101 -13.497 0.859) 15.275 6.413 ( 1.428 -0.858 3.586) 3.954 6.706 ( -10.763 -8.556 0.842) 13.775 6.755 ( 5.530 2.888 5.022) 8.009 7.005 ( -2.581 2.410 0.953) 3.657 7.232 ( -1.932 5.204 4.335) 7.043 7.253 ( 11.235 -21.066 0.332) 23.877 7.456 ( 2.126 -7.107 -6.159) 9.642 7.664 ( -7.153 -12.013 -10.388) 17.418 8.023 ( -0.909 4.390 0.013) 4.483 8.123 ( -5.875 1.262 -6.145) 8.595 8.304 ( -0.182 5.468 7.090) 8.955 8.425 ( -0.499 -1.274 0.147) 1.376 8.608 ( 0.165 -8.256 -3.471) 8.958 8.678 ( -0.039 -13.165 6.100) 14.509 8.826 ( 1.964 -1.184 -10.238) 10.491 9.004 ( 2.056 -5.582 -9.878) 11.531 9.570 ( 6.776 -12.402 5.908) 15.318 9.791 ( -1.815 -1.044 10.117) 10.331 9.945 ( 3.802 -0.257 0.812) 3.897 10.003 ( 2.378 6.355 3.002) 7.419 10.114 ( 3.027 7.840 11.697) 14.403 10.250 ( -0.916 2.962 -3.901) 4.983 10.643 ( 7.547 0.978 -11.032) 13.402 11.001 ( -5.412 -5.784 -17.224) 18.958 11.108 ( 8.916 7.394 4.944) 12.594 11.246 ( 8.047 4.958 -3.174) 9.970 11.280 ( 2.001 -0.299 9.798) 10.005 11.556 ( 4.446 -0.891 -4.106) 6.117 11.627 ( -5.652 -1.738 0.292) 5.920 11.818 ( -4.735 -7.272 4.622) 9.832 11.914 ( 5.082 -3.912 -10.543) 12.341 12.200 ( -0.813 10.256 -2.328) 10.549 12.435 ( -5.676 -4.051 3.070) 7.619 12.572 ( -4.064 12.403 8.191) 15.409 12.629 ( -1.467 0.010 3.535) 3.828 12.762 ( -2.717 14.787 6.005) 16.190 12.830 ( 2.864 9.589 -3.070) 10.468 12.915 ( 3.333 4.907 -6.277) 8.636 13.133 ( -7.454 13.195 0.588) 15.166 13.340 ( -5.804 8.949 -4.400) 11.539 13.477 ( -2.209 13.487 2.184) 13.840 13.654 ( -4.790 15.956 3.289) 16.981 13.819 ( 1.341 2.763 -4.761) 5.666 14.096 ( -9.765 0.801 -10.239) 14.172 15.015 ( 0.711 -8.181 1.522) 8.352 15.062 ( 4.611 3.279 6.528) 8.639 15.089 ( -2.008 -7.048 0.277) 7.334 15.297 ( -3.584 2.819 9.857) 10.860 15.348 ( -0.298 -3.261 5.891) 6.740 15.565 ( -4.967 -5.693 -6.312) 9.845 15.605 ( 4.649 1.241 -12.559) 13.450 15.786 ( -0.888 -2.139 -11.659) 11.887 16.579 ( 2.931 -0.193 1.501) 3.299 16.600 ( 1.826 0.977 0.677) 2.179 16.739 ( 2.760 3.342 1.530) 4.597 16.863 ( 4.076 3.035 -4.458) 6.760 16.945 ( -4.323 0.549 2.919) 5.245 17.063 ( -3.746 -3.553 -1.445) 5.362 17.165 ( -0.165 -5.428 3.400) 6.407 17.234 ( -2.091 -0.403 0.433) 2.173 17.547 ( 3.028 -7.881 1.534) 8.581 17.604 ( 0.425 -6.083 -0.241) 6.103 18.339 ( 6.382 -18.505 -0.473) 19.581 18.402 ( 5.102 -17.436 -4.376) 18.687 19.627 ( 11.874 7.714 4.342) 14.810 19.858 ( 8.702 10.276 -7.706) 15.515 20.448 ( -7.888 2.006 6.433) 10.374 20.531 ( -1.649 6.341 0.377) 6.563 20.711 ( -7.598 10.017 0.100) 12.573 20.788 ( -12.648 11.996 -3.741) 17.829 21.616 ( 5.766 -8.613 4.596) 11.338 21.844 ( -4.631 -11.059 -5.767) 13.305 23.649 ( 11.127 21.338 20.068) 31.334 24.123 ( -8.752 7.679 13.970) 18.186 24.593 ( 9.096 5.877 -19.173) 22.020 24.962 ( -7.496 -9.852 -17.607) 21.523 25.700 ( -0.201 6.936 4.640) 8.348 25.773 ( -3.472 -4.979 10.093) 11.778 26.031 ( 2.619 -4.979 -7.692) 9.530 26.097 ( 0.865 -4.195 -0.762) 4.351 26.372 ( 5.863 9.968 0.073) 11.564 26.443 ( 1.833 7.691 -3.623) 8.697 27.053 ( 0.856 2.076 4.886) 5.377 27.171 ( 3.177 -3.701 2.617) 5.535 27.344 ( -2.187 5.250 0.136) 5.689 27.518 ( 2.935 -3.391 -3.045) 5.421 27.653 ( -1.586 -2.137 4.743) 5.438 27.686 ( -4.746 -0.685 1.326) 4.975 27.782 ( 0.979 0.333 8.402) 8.466 27.901 ( 0.404 -3.834 13.091) 13.647 27.955 ( 0.428 3.512 0.797) 3.627 27.983 ( -2.548 -0.154 -0.350) 2.576 28.143 ( 4.780 1.480 2.239) 5.482 28.359 ( -5.598 -0.625 7.953) 9.746 28.673 ( 0.756 -6.623 -4.941) 8.298 28.695 ( 1.219 -3.548 -2.264) 4.382 28.738 ( 6.367 -1.588 1.899) 6.831 28.931 ( 1.565 -3.608 -13.842) 14.390 29.063 ( -3.308 -6.526 -4.487) 8.583 29.146 ( -3.485 -7.906 -5.825) 10.420 29.266 ( 0.024 2.206 -0.476) 2.257 29.334 ( -3.244 2.616 -3.451) 5.411 29.710 ( -1.419 -7.447 2.301) 7.923 29.790 ( -3.516 -6.643 -0.934) 7.574 29.884 ( 1.900 4.063 1.994) 4.908 29.941 ( -0.217 4.272 -0.605) 4.320 30.152 ( 1.082 0.040 2.076) 2.342 30.217 ( -1.486 3.379 -1.385) 3.942 31.562 ( -0.797 13.795 -0.538) 13.829 31.667 ( -2.931 3.279 -3.093) 5.377 31.884 ( 2.705 9.729 13.884) 17.168 32.141 ( -8.028 4.710 7.430) 11.910 32.568 ( 3.625 1.834 -8.080) 9.044 32.700 ( -2.346 0.896 -11.433) 11.705 32.786 ( -1.501 -5.091 7.417) 9.120 32.926 ( -4.535 -6.448 0.954) 7.941 33.014 ( -3.258 -4.169 -3.017) 6.090 33.031 ( -6.628 -0.682 -2.224) 7.025 33.375 ( 1.320 -11.737 -0.007) 11.811 33.501 ( -4.909 -9.306 -3.280) 11.021 33.868 ( 6.834 12.968 4.045) 15.206 33.967 ( 2.636 13.338 -0.375) 13.601 34.912 ( 13.299 -7.780 4.264) 15.987 35.158 ( 3.150 -12.550 -7.793) 15.104 ======================= Grid point 108 (40/64) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -7.131 -9.143 4.773) 12.539 2.091 ( 7.131 -9.143 4.773) 12.539 2.207 ( -13.855 -5.289 8.155) 16.924 2.207 ( 13.855 -5.289 8.155) 16.924 2.383 ( -7.135 -4.419 -0.995) 8.452 2.383 ( 7.136 -4.419 -0.995) 8.452 2.618 ( -2.367 -2.908 0.303) 3.762 2.618 ( 2.367 -2.908 0.303) 3.762 2.800 ( -2.792 0.707 -1.878) 3.438 2.800 ( 2.792 0.707 -1.878) 3.438 2.891 ( -1.143 -6.416 0.015) 6.517 2.891 ( 1.143 -6.416 0.015) 6.517 3.459 ( -6.387 2.858 7.968) 10.604 3.459 ( 6.387 2.858 7.968) 10.604 3.683 ( -12.727 -1.305 10.663) 16.655 3.683 ( 12.727 -1.305 10.663) 16.655 4.003 ( -5.043 2.010 3.064) 6.234 4.003 ( 5.043 2.010 3.064) 6.234 4.152 ( -12.397 2.745 -2.078) 12.866 4.152 ( 12.397 2.745 -2.078) 12.866 4.597 ( -3.510 -1.808 9.525) 10.311 4.597 ( 3.510 -1.808 9.525) 10.311 4.890 ( -5.454 0.694 -3.890) 6.736 4.890 ( 5.454 0.694 -3.890) 6.736 5.218 ( -7.685 6.600 1.727) 10.276 5.218 ( 7.685 6.600 1.727) 10.276 5.578 ( -2.203 -6.949 0.074) 7.290 5.578 ( 2.203 -6.949 0.074) 7.290 5.629 ( -8.822 -8.525 -5.253) 13.345 5.629 ( 8.822 -8.525 -5.253) 13.345 6.013 ( -2.570 -5.588 0.727) 6.193 6.013 ( 2.570 -5.588 0.727) 6.193 6.506 ( -7.770 -4.322 0.263) 8.895 6.506 ( 7.770 -4.321 0.263) 8.895 6.922 ( -6.774 1.915 0.912) 7.098 6.922 ( 6.774 1.915 0.912) 7.098 7.259 ( -6.461 7.566 -2.095) 10.168 7.259 ( 6.461 7.566 -2.095) 10.168 7.570 ( -7.631 -29.620 -0.421) 30.590 7.570 ( 7.631 -29.620 -0.421) 30.590 8.020 ( -2.193 2.857 0.365) 3.620 8.020 ( 2.193 2.857 0.365) 3.620 8.335 ( -4.597 2.770 8.262) 9.852 8.335 ( 4.597 2.770 8.262) 9.852 8.671 ( -3.779 -8.733 -1.840) 9.691 8.671 ( 3.779 -8.733 -1.840) 9.691 8.934 ( -7.138 -8.297 -13.759) 17.582 8.934 ( 7.138 -8.297 -13.759) 17.582 9.707 ( -5.868 -3.371 8.848) 11.139 9.707 ( 5.868 -3.371 8.848) 11.139 10.000 ( -1.886 0.701 3.582) 4.108 10.000 ( 1.886 0.701 3.582) 4.108 10.201 ( -3.867 9.163 3.908) 10.686 10.201 ( 3.867 9.163 3.908) 10.686 10.834 ( -9.849 -3.443 -19.047) 21.717 10.834 ( 9.849 -3.443 -19.047) 21.717 11.255 ( -3.994 3.950 6.135) 8.318 11.255 ( 3.994 3.950 6.135) 8.318 11.436 ( -8.563 5.044 -1.317) 10.025 11.436 ( 8.563 5.044 -1.317) 10.025 11.710 ( -5.798 -9.559 1.998) 11.357 11.710 ( 5.798 -9.559 1.998) 11.357 12.060 ( -9.489 0.962 -9.242) 13.280 12.060 ( 9.489 0.962 -9.242) 13.280 12.456 ( -5.595 4.313 11.580) 13.564 12.456 ( 5.595 4.313 11.580) 13.564 12.669 ( -4.555 11.048 2.945) 12.307 12.669 ( 4.555 11.048 2.945) 12.307 12.942 ( -6.874 13.587 -4.112) 15.772 12.942 ( 6.874 13.587 -4.112) 15.772 13.116 ( -10.935 8.261 -5.907) 14.924 13.116 ( 10.935 8.261 -5.907) 14.924 13.548 ( -5.408 12.546 4.908) 14.517 13.548 ( 5.408 12.546 4.908) 14.517 13.917 ( -7.454 1.020 -9.320) 11.978 13.917 ( 7.454 1.020 -9.320) 11.978 15.031 ( -1.525 -9.145 0.688) 9.297 15.031 ( 1.525 -9.145 0.688) 9.297 15.195 ( -6.058 4.892 10.455) 13.037 15.195 ( 6.058 4.892 10.455) 13.037 15.414 ( -6.297 -5.284 0.659) 8.246 15.414 ( 6.297 -5.284 0.659) 8.246 15.730 ( -4.702 -0.758 -12.923) 13.773 15.730 ( 4.702 -0.758 -12.923) 13.773 16.618 ( -0.492 1.456 0.457) 1.603 16.618 ( 0.492 1.456 0.457) 1.603 16.815 ( -4.692 4.504 3.829) 7.547 16.815 ( 4.692 4.504 3.829) 7.547 16.984 ( -4.222 -2.345 -3.930) 6.226 16.984 ( 4.222 -2.345 -3.930) 6.226 17.187 ( -2.117 -3.216 1.974) 4.327 17.187 ( 2.117 -3.216 1.974) 4.327 17.595 ( -1.455 -6.876 0.745) 7.067 17.595 ( 1.455 -6.876 0.745) 7.067 18.429 ( -2.021 -19.104 -2.906) 19.429 18.429 ( 2.021 -19.104 -2.906) 19.429 19.868 ( -9.176 10.325 0.185) 13.815 19.868 ( 9.176 10.325 0.185) 13.815 20.433 ( -8.493 1.123 1.349) 8.673 20.433 ( 8.493 1.123 1.349) 8.673 20.630 ( -2.877 14.455 0.413) 14.744 20.630 ( 2.877 14.455 0.413) 14.744 21.736 ( -5.805 -10.111 -1.844) 11.804 21.736 ( 5.805 -10.111 -1.844) 11.804 23.898 ( -12.578 13.945 18.468) 26.339 23.898 ( 12.578 13.945 18.468) 26.339 24.787 ( -9.495 -1.043 -21.415) 23.449 24.787 ( 9.495 -1.043 -21.415) 23.449 25.717 ( -1.904 0.625 8.372) 8.608 25.717 ( 1.904 0.625 8.372) 8.608 26.082 ( -2.033 -6.702 -5.808) 9.098 26.082 ( 2.033 -6.702 -5.808) 9.098 26.453 ( -1.701 11.263 0.682) 11.411 26.453 ( 1.701 11.263 0.682) 11.411 27.112 ( -4.803 1.961 -0.238) 5.194 27.112 ( 4.803 1.961 -0.238) 5.194 27.456 ( -8.297 -0.754 -0.296) 8.336 27.456 ( 8.297 -0.754 -0.296) 8.336 27.635 ( -1.314 -4.231 5.444) 7.019 27.635 ( 1.314 -4.231 5.444) 7.019 27.848 ( -4.684 -0.056 11.754) 12.653 27.848 ( 4.684 -0.056 11.754) 12.653 27.958 ( -0.623 0.122 0.766) 0.995 27.958 ( 0.623 0.122 0.766) 0.995 28.244 ( -5.440 1.066 7.506) 9.331 28.244 ( 5.440 1.066 7.506) 9.331 28.691 ( -0.788 -4.774 -4.002) 6.279 28.691 ( 0.788 -4.774 -4.002) 6.279 28.885 ( -6.198 -3.153 -9.061) 11.422 28.885 ( 6.198 -3.153 -9.061) 11.422 29.066 ( -3.641 -7.713 -4.790) 9.782 29.066 ( 3.641 -7.713 -4.790) 9.782 29.283 ( -1.686 3.082 -1.881) 3.985 29.283 ( 1.686 3.082 -1.881) 3.985 29.724 ( -2.447 -7.074 -0.404) 7.496 29.724 ( 2.447 -7.074 -0.404) 7.496 29.922 ( -1.571 4.423 0.966) 4.792 29.922 ( 1.572 4.423 0.966) 4.792 30.183 ( -1.774 1.462 -0.405) 2.334 30.183 ( 1.774 1.462 -0.405) 2.334 31.589 ( -3.352 10.442 -2.074) 11.161 31.589 ( 3.352 10.442 -2.074) 11.161 31.987 ( -6.809 6.693 11.293) 14.788 31.987 ( 6.809 6.693 11.293) 14.788 32.641 ( -3.362 1.542 -10.275) 10.920 32.641 ( 3.362 1.542 -10.275) 10.920 32.820 ( -4.258 -5.123 4.320) 7.940 32.820 ( 4.258 -5.123 4.320) 7.940 32.980 ( -0.541 -3.443 -2.350) 4.204 32.980 ( 0.541 -3.443 -2.350) 4.204 33.420 ( -3.099 -12.740 -2.203) 13.295 33.420 ( 3.099 -12.740 -2.203) 13.295 33.969 ( -2.580 14.304 2.179) 14.697 33.969 ( 2.580 14.304 2.179) 14.697 35.117 ( -6.550 -10.375 -1.387) 12.348 35.117 ( 6.550 -10.375 -1.387) 12.348 ======================= Grid point 112 (41/64) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 0.000 9.448 9.536) 13.424 1.778 ( 0.000 12.174 15.088) 19.387 2.148 ( 0.000 2.116 -9.347) 9.583 2.159 ( 0.000 -0.445 -1.424) 1.492 2.405 ( 0.000 2.423 -0.748) 2.536 2.436 ( 0.000 -9.488 -0.597) 9.507 2.616 ( 0.000 -5.107 1.869) 5.438 2.646 ( 0.000 -1.735 1.247) 2.137 2.696 ( 0.000 10.673 1.953) 10.850 2.744 ( 0.000 -2.685 -0.972) 2.856 2.907 ( 0.000 -6.971 3.163) 7.655 2.986 ( 0.000 -5.811 -2.206) 6.216 3.237 ( 0.000 4.981 11.609) 12.633 3.357 ( 0.000 -6.020 2.123) 6.384 3.634 ( 0.000 -12.879 11.609) 17.339 3.762 ( 0.000 -10.946 5.776) 12.376 3.907 ( 0.000 30.943 18.635) 36.121 4.169 ( 0.000 4.968 -0.474) 4.991 4.325 ( 0.000 17.035 -4.593) 17.643 4.358 ( 0.000 -3.660 -8.000) 8.797 4.436 ( 0.000 -21.579 9.331) 23.510 4.625 ( 0.000 -19.228 5.082) 19.888 4.891 ( 0.000 2.578 3.707) 4.516 4.949 ( 0.000 -12.140 0.253) 12.142 5.043 ( 0.000 1.042 -0.868) 1.356 5.072 ( 0.000 -8.865 -4.884) 10.122 5.371 ( 0.000 -2.332 0.398) 2.366 5.373 ( 0.000 -3.422 1.099) 3.595 5.646 ( 0.000 8.400 15.546) 17.671 5.785 ( 0.000 4.925 3.638) 6.123 5.885 ( 0.000 -8.571 -4.795) 9.821 5.978 ( 0.000 0.800 -0.783) 1.119 6.201 ( 0.000 -13.691 4.098) 14.291 6.400 ( 0.000 -9.898 6.567) 11.878 6.711 ( 0.000 -14.375 -3.613) 14.822 6.941 ( 0.000 -7.783 8.032) 11.184 7.048 ( 0.000 4.068 20.778) 21.173 7.286 ( 0.000 -1.843 10.365) 10.528 7.547 ( 0.000 -14.692 -6.369) 16.013 7.602 ( 0.000 1.871 -31.195) 31.251 8.002 ( 0.000 -3.720 -4.400) 5.762 8.064 ( 0.000 -5.718 -21.337) 22.090 8.109 ( 0.000 -24.473 -16.523) 29.529 8.264 ( 0.000 -12.823 -12.557) 17.947 8.633 ( 0.000 -10.709 -4.219) 11.511 8.637 ( 0.000 -2.188 -4.120) 4.665 8.884 ( 0.000 22.137 6.690) 23.126 9.298 ( 0.000 21.192 -8.034) 22.664 9.367 ( 0.000 18.669 6.111) 19.644 9.484 ( 0.000 -0.772 0.792) 1.106 10.061 ( 0.000 9.938 5.665) 11.439 10.113 ( 0.000 5.344 6.174) 8.166 10.117 ( 0.000 -0.440 5.666) 5.684 10.338 ( 0.000 8.447 6.283) 10.528 10.580 ( 0.000 -6.008 4.157) 7.306 10.705 ( 0.000 -10.230 7.850) 12.895 10.791 ( 0.000 -7.120 -1.782) 7.340 11.062 ( 0.000 -13.930 4.759) 14.721 11.158 ( 0.000 -5.796 -5.421) 7.936 11.364 ( 0.000 -6.013 9.449) 11.200 11.614 ( 0.000 2.721 -10.112) 10.471 11.810 ( 0.000 -1.373 4.803) 4.995 12.190 ( 0.000 11.858 -3.950) 12.499 12.396 ( 0.000 11.432 3.064) 11.836 12.541 ( 0.000 1.556 -3.230) 3.586 12.609 ( 0.000 1.791 -12.984) 13.107 12.685 ( 0.000 -1.284 1.258) 1.797 12.737 ( 0.000 -9.959 -13.922) 17.117 13.006 ( 0.000 8.711 12.436) 15.183 13.188 ( 0.000 -5.418 20.053) 20.772 13.501 ( 0.000 21.837 -10.550) 24.252 13.570 ( 0.000 14.893 5.586) 15.906 13.925 ( 0.000 12.859 7.559) 14.917 14.140 ( 0.000 7.083 -14.763) 16.374 14.318 ( 0.000 17.197 3.106) 17.475 14.566 ( 0.000 14.279 -5.800) 15.411 14.813 ( 0.000 -7.929 3.464) 8.652 14.953 ( 0.000 -12.550 -1.776) 12.675 15.159 ( 0.000 11.619 0.173) 11.620 15.199 ( 0.000 -9.680 5.087) 10.935 15.451 ( 0.000 5.535 -12.173) 13.372 15.492 ( 0.000 2.530 -3.631) 4.425 15.603 ( 0.000 -8.615 -7.556) 11.459 15.686 ( 0.000 -5.829 -4.115) 7.135 16.491 ( 0.000 2.769 2.521) 3.745 16.546 ( 0.000 -1.941 0.918) 2.147 16.574 ( 0.000 -8.648 1.417) 8.764 16.690 ( 0.000 -3.443 -3.744) 5.086 16.932 ( 0.000 -7.920 1.804) 8.122 17.019 ( 0.000 -8.146 -2.577) 8.544 17.288 ( 0.000 -1.857 2.945) 3.481 17.299 ( 0.000 2.727 0.252) 2.739 17.309 ( 0.000 2.938 3.458) 4.538 17.522 ( 0.000 3.560 -6.312) 7.247 17.778 ( 0.000 -17.979 3.792) 18.375 17.890 ( 0.000 -9.686 -2.408) 9.980 19.508 ( 0.000 8.097 4.758) 9.391 19.716 ( 0.000 1.744 -4.843) 5.147 20.587 ( 0.000 1.403 0.806) 1.618 20.673 ( 0.000 -7.643 -2.366) 8.001 21.168 ( 0.000 10.804 3.145) 11.253 21.281 ( 0.000 10.860 -2.016) 11.045 21.462 ( 0.000 3.545 9.120) 9.785 21.736 ( 0.000 -10.559 -6.165) 12.227 24.060 ( 0.000 30.422 16.365) 34.545 24.349 ( 0.000 -0.326 9.820) 9.825 24.498 ( 0.000 2.693 -8.372) 8.794 24.841 ( 0.000 -7.214 -10.728) 12.927 25.659 ( 0.000 -6.290 6.019) 8.706 25.887 ( 0.000 -5.071 -4.293) 6.644 25.981 ( 0.000 5.960 -3.614) 6.970 26.168 ( 0.000 -3.633 -9.088) 9.787 26.183 ( 0.000 6.051 7.537) 9.665 26.343 ( 0.000 -0.808 -4.805) 4.872 27.016 ( 0.000 1.653 6.182) 6.399 27.200 ( 0.000 3.918 6.954) 7.982 27.299 ( 0.000 -3.070 -2.238) 3.799 27.543 ( 0.000 -4.529 -0.269) 4.537 27.717 ( 0.000 -0.833 2.091) 2.251 27.773 ( 0.000 -3.976 0.200) 3.981 27.809 ( 0.000 3.656 7.565) 8.402 27.833 ( 0.000 3.058 -1.506) 3.409 27.993 ( 0.000 5.247 -2.287) 5.724 28.055 ( 0.000 -0.040 7.008) 7.008 28.114 ( 0.000 11.939 -2.184) 12.137 28.431 ( 0.000 -4.644 -8.044) 9.289 28.545 ( 0.000 -3.550 5.943) 6.923 28.596 ( 0.000 4.076 3.921) 5.656 28.641 ( 0.000 -5.000 -0.230) 5.005 28.749 ( 0.000 -4.555 -4.448) 6.366 29.028 ( 0.000 -6.707 -4.173) 7.899 29.058 ( 0.000 -8.741 -6.378) 10.820 29.314 ( 0.000 2.936 4.380) 5.273 29.467 ( 0.000 1.981 -2.027) 2.834 29.650 ( 0.000 -11.193 2.847) 11.550 29.663 ( 0.000 -8.666 3.459) 9.331 29.931 ( 0.000 2.995 1.185) 3.221 29.954 ( 0.000 1.613 -0.277) 1.636 30.178 ( 0.000 3.796 3.172) 4.947 30.304 ( 0.000 -0.064 -2.922) 2.923 31.721 ( 0.000 5.982 -0.681) 6.020 31.856 ( 0.000 6.789 -9.226) 11.454 32.091 ( 0.000 13.406 15.912) 20.807 32.419 ( 0.000 2.072 4.522) 4.974 32.481 ( 0.000 -1.612 -1.903) 2.495 32.737 ( 0.000 -13.976 8.391) 16.302 32.789 ( 0.000 5.365 -15.681) 16.573 33.083 ( 0.000 -7.561 -2.601) 7.995 33.096 ( 0.000 -2.283 -1.646) 2.815 33.149 ( 0.000 -1.467 -11.167) 11.263 33.479 ( 0.000 0.070 4.253) 4.253 33.624 ( 0.000 -6.315 -4.104) 7.531 33.762 ( 0.000 5.769 -0.396) 5.782 33.930 ( 0.000 0.428 -6.723) 6.736 34.368 ( 0.000 3.046 11.624) 12.016 34.604 ( 0.000 -6.067 0.937) 6.139 ======================= Grid point 113 (42/64) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 2.641 10.399 10.992) 15.360 1.879 ( 7.550 10.524 11.239) 17.148 2.106 ( -3.312 -0.404 -9.171) 9.759 2.189 ( 2.698 -1.882 -4.238) 5.365 2.372 ( -2.616 -6.579 -1.308) 7.200 2.431 ( -1.208 -5.938 -1.129) 6.164 2.563 ( -3.617 -2.926 3.483) 5.812 2.626 ( -3.209 2.106 1.575) 4.149 2.700 ( 1.118 2.447 2.067) 3.392 2.724 ( -1.574 -4.781 -0.493) 5.057 2.853 ( -4.818 -7.935 1.578) 9.416 2.919 ( -5.802 -5.987 -1.635) 8.496 3.215 ( 0.680 3.401 10.390) 10.954 3.431 ( 4.858 -3.280 10.986) 12.452 3.588 ( -0.948 -5.310 3.233) 6.289 3.789 ( 2.313 -8.292 7.934) 11.707 3.928 ( 2.741 24.396 16.396) 29.521 4.146 ( -2.816 3.433 2.512) 5.102 4.304 ( -3.936 -1.191 4.425) 6.041 4.422 ( 3.996 -5.083 -4.627) 7.951 4.522 ( 9.822 4.758 -3.008) 11.321 4.680 ( -0.631 -11.639 -2.543) 11.930 4.890 ( -1.505 -12.699 2.117) 12.962 4.914 ( 1.562 3.534 0.515) 3.898 5.072 ( 4.174 -2.670 2.677) 5.631 5.129 ( 1.062 -9.392 0.002) 9.452 5.244 ( -6.241 -0.381 4.520) 7.715 5.403 ( 0.012 -5.247 -1.552) 5.472 5.626 ( -1.423 6.628 9.561) 11.720 5.780 ( -1.731 1.555 4.697) 5.242 5.880 ( 0.749 0.302 -2.018) 2.174 6.003 ( 1.254 -3.048 -5.264) 6.210 6.260 ( 4.639 -20.289 4.667) 21.329 6.353 ( -2.155 -10.263 10.647) 14.944 6.611 ( -7.859 -16.063 5.155) 18.611 6.848 ( -3.823 -4.150 5.176) 7.657 7.085 ( -1.821 -7.865 9.648) 12.580 7.179 ( -4.907 1.516 -1.134) 5.259 7.559 ( -4.871 -5.363 -12.850) 14.751 7.727 ( -1.755 -13.992 0.815) 14.125 7.800 ( 0.070 -3.688 -18.263) 18.632 8.046 ( 2.562 -10.324 -18.223) 21.101 8.260 ( 6.828 -5.209 -7.166) 11.185 8.314 ( 4.615 -3.631 -10.607) 12.124 8.523 ( -6.773 -3.044 -0.884) 7.478 8.656 ( -1.387 -5.432 -7.872) 9.664 8.993 ( 6.667 16.965 -0.233) 18.229 9.190 ( -7.372 19.834 -4.914) 21.723 9.393 ( 5.134 12.388 7.491) 15.360 9.639 ( 8.856 -2.585 -0.001) 9.225 10.020 ( -3.193 5.750 7.440) 9.930 10.066 ( -2.340 0.388 4.008) 4.657 10.211 ( 6.713 8.397 8.137) 13.483 10.348 ( 1.287 9.631 0.313) 9.722 10.553 ( -0.897 -3.997 1.421) 4.336 10.752 ( 4.397 -12.600 6.431) 14.814 10.917 ( 9.282 -6.797 1.863) 11.654 11.100 ( 2.379 -5.720 -0.833) 6.250 11.173 ( 3.859 -12.996 1.339) 13.622 11.362 ( -1.106 -3.157 11.671) 12.141 11.617 ( 1.169 -1.534 -12.323) 12.473 11.796 ( -1.977 -4.056 3.117) 5.485 12.067 ( -10.850 11.578 -8.703) 18.097 12.399 ( 2.304 10.654 4.035) 11.623 12.494 ( -8.332 -3.657 -10.363) 13.791 12.586 ( -0.496 -3.619 -0.395) 3.675 12.760 ( 9.778 3.389 -5.589) 11.761 12.794 ( 2.333 1.373 -3.917) 4.762 12.985 ( -1.142 8.766 10.268) 13.549 13.228 ( 3.223 -5.373 16.224) 17.392 13.435 ( -4.912 23.467 -9.580) 25.819 13.603 ( 1.787 16.278 4.753) 17.051 13.916 ( -1.235 14.800 3.211) 15.194 14.036 ( -9.383 4.917 -15.246) 18.565 14.181 ( -11.615 16.510 4.156) 20.610 14.480 ( -7.239 15.480 -6.753) 18.375 14.817 ( 0.419 -7.551 3.105) 8.175 14.918 ( -3.130 -12.321 -1.187) 12.768 15.129 ( -2.745 -2.020 3.720) 5.045 15.223 ( 2.652 2.432 4.868) 6.054 15.468 ( -0.571 -3.923 -10.052) 10.806 15.491 ( -0.810 4.976 0.562) 5.073 15.580 ( -0.293 -2.607 -10.088) 10.423 15.691 ( 0.316 -6.370 -4.782) 7.971 16.527 ( 3.335 2.769 2.017) 4.781 16.559 ( 2.085 -2.410 1.106) 3.373 16.627 ( 3.983 -7.127 0.830) 8.207 16.737 ( 3.895 -4.035 -4.285) 7.058 16.928 ( -0.253 -5.811 2.560) 6.355 17.009 ( -0.646 -6.196 -1.549) 6.420 17.234 ( -4.114 4.723 2.651) 6.801 17.274 ( -1.385 -1.392 3.144) 3.707 17.368 ( 3.457 0.148 0.278) 3.471 17.536 ( 1.073 3.644 -5.876) 6.997 17.828 ( 4.600 -18.714 3.193) 19.534 17.960 ( 5.443 -12.836 -4.138) 14.543 19.581 ( 7.134 8.274 5.368) 12.172 19.792 ( 7.221 1.633 -4.197) 8.510 20.569 ( -2.955 -1.073 1.436) 3.456 20.627 ( -3.570 -4.819 -1.263) 6.128 21.118 ( -4.177 13.929 2.943) 14.836 21.232 ( -5.056 11.561 -1.681) 12.730 21.458 ( -0.073 0.627 7.091) 7.119 21.704 ( -2.975 -10.409 -6.029) 12.391 24.066 ( 0.957 27.784 16.486) 32.322 24.322 ( -1.769 3.205 8.151) 8.935 24.554 ( 4.060 -1.794 -7.801) 8.975 24.813 ( -2.551 -7.354 -11.121) 13.574 25.670 ( 1.144 -4.039 5.203) 6.685 25.902 ( 0.702 -2.576 -4.429) 5.172 25.939 ( -2.377 4.010 -3.492) 5.825 26.071 ( -4.118 -1.610 -4.745) 6.486 26.343 ( 9.731 4.209 2.569) 10.909 26.468 ( 10.253 3.309 -3.332) 11.277 27.006 ( 0.034 0.127 7.694) 7.695 27.149 ( -3.405 1.570 5.047) 6.287 27.357 ( 4.722 -0.801 -0.408) 4.807 27.566 ( 0.264 -1.163 -2.909) 3.144 27.705 ( -6.563 3.288 3.309) 8.052 27.713 ( -0.724 -1.291 3.565) 3.861 27.762 ( -2.065 -3.467 2.158) 4.576 27.824 ( -0.838 -0.006 4.066) 4.151 28.020 ( 0.279 2.711 -0.184) 2.732 28.047 ( -0.922 -0.090 6.481) 6.547 28.144 ( 3.207 10.580 -2.233) 11.279 28.416 ( -1.315 -2.460 -4.310) 5.134 28.526 ( -1.328 -4.799 1.278) 5.141 28.601 ( 0.195 -0.791 0.721) 1.088 28.652 ( 1.445 -1.742 1.536) 2.735 28.776 ( 2.361 -4.761 -4.685) 7.084 29.006 ( -2.339 -6.708 -4.283) 8.295 29.032 ( -2.291 -8.420 -6.264) 10.741 29.317 ( 0.335 3.396 2.728) 4.369 29.443 ( -2.153 2.350 -2.336) 3.951 29.598 ( -2.890 -8.312 3.527) 9.481 29.671 ( -0.946 -9.692 0.920) 9.781 29.939 ( 1.124 3.690 1.499) 4.139 29.983 ( 2.370 1.668 -0.252) 2.909 30.169 ( -0.868 3.125 3.051) 4.453 30.288 ( -1.493 -0.339 -2.760) 3.157 31.745 ( 2.281 7.050 -0.561) 7.431 31.869 ( 1.073 9.148 -8.336) 12.423 32.100 ( 0.803 13.421 15.055) 20.185 32.373 ( -4.596 3.676 4.013) 7.124 32.511 ( 2.371 -2.153 -2.115) 3.838 32.684 ( -4.498 -11.926 9.931) 16.158 32.778 ( -0.766 3.639 -14.865) 15.323 32.935 ( -9.031 -1.948 0.041) 9.239 33.019 ( -8.249 -5.426 -4.137) 10.705 33.089 ( -1.935 -7.982 -10.326) 13.194 33.328 ( -11.690 0.782 2.881) 12.065 33.530 ( -9.111 -5.893 -4.298) 11.671 33.911 ( 11.436 8.896 2.553) 14.712 34.069 ( 10.257 6.167 -4.272) 12.708 34.496 ( 10.727 -3.170 9.124) 14.435 34.725 ( 8.692 -11.224 -1.297) 14.255 ======================= Grid point 114 (43/64) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 1.313 5.331 6.707) 8.668 1.941 ( -2.921 -0.483 -1.796) 3.463 2.112 ( 4.892 1.997 2.177) 5.715 2.255 ( 3.243 -1.970 -4.485) 5.875 2.293 ( -4.903 -5.923 1.876) 7.914 2.370 ( -4.404 -8.794 -2.441) 10.133 2.519 ( -0.427 -4.364 3.275) 5.473 2.557 ( -3.043 -2.842 0.611) 4.208 2.684 ( -1.766 -9.265 0.472) 9.443 2.716 ( -0.186 -4.601 -0.073) 4.605 2.761 ( -2.622 -6.573 -2.254) 7.427 2.810 ( -3.991 -5.729 -2.126) 7.299 3.330 ( 11.027 5.944 11.738) 17.167 3.535 ( 5.767 0.129 19.329) 20.172 3.626 ( 2.980 5.593 3.687) 7.332 3.874 ( 5.118 1.866 6.009) 8.111 4.017 ( -9.104 1.727 4.996) 10.527 4.026 ( 5.782 7.870 9.554) 13.662 4.205 ( -5.148 6.717 5.719) 10.214 4.425 ( -5.317 -5.966 -5.649) 9.786 4.589 ( -3.747 0.379 3.391) 5.068 4.704 ( 0.115 2.821 -4.985) 5.729 4.798 ( -3.752 2.720 0.331) 4.646 4.935 ( 0.875 -8.005 -3.423) 8.750 5.152 ( 6.429 -4.906 1.475) 8.220 5.187 ( 4.241 -8.135 4.516) 10.225 5.223 ( 0.991 -5.910 5.793) 8.335 5.387 ( -1.621 -6.503 -3.085) 7.378 5.615 ( 0.567 4.668 5.101) 6.938 5.730 ( -3.179 5.162 2.076) 6.408 5.900 ( 1.344 0.230 -3.946) 4.175 6.002 ( -1.028 -3.518 -6.983) 7.886 6.242 ( -2.944 -13.393 10.045) 16.998 6.365 ( -3.958 -19.831 18.731) 27.564 6.601 ( 10.827 -25.037 4.974) 27.727 6.865 ( 5.991 -0.951 -1.706) 6.302 6.996 ( -4.847 -16.301 4.012) 17.473 7.085 ( -4.559 -1.563 -4.170) 6.373 7.370 ( -11.170 -10.971 -6.763) 17.055 7.491 ( -13.141 -9.427 -6.481) 17.423 7.968 ( 7.488 0.754 -1.548) 7.683 8.164 ( 5.733 -4.103 -9.709) 11.998 8.298 ( -5.903 6.509 0.114) 8.788 8.431 ( 7.839 -0.503 -3.263) 8.506 8.488 ( 2.931 -2.141 -9.535) 10.202 8.623 ( 1.994 5.738 -12.247) 13.671 9.002 ( -6.135 13.924 -7.654) 17.033 9.061 ( -5.078 11.465 -6.468) 14.109 9.572 ( 10.441 6.204 8.565) 14.861 9.748 ( 2.049 -4.889 6.194) 8.152 9.973 ( -1.535 0.788 2.046) 2.677 10.007 ( -3.594 -2.008 9.852) 10.678 10.341 ( 5.240 8.725 6.925) 12.311 10.406 ( 2.909 13.392 1.382) 13.774 10.596 ( 6.160 -2.624 -6.730) 9.493 10.817 ( -0.118 -9.423 -2.387) 9.721 11.069 ( 6.694 -7.572 3.140) 10.583 11.218 ( 9.223 -4.436 8.036) 13.012 11.307 ( -2.799 -1.918 7.876) 8.576 11.316 ( 7.021 -14.258 5.441) 16.798 11.654 ( -0.305 -4.967 -7.471) 8.977 11.742 ( -1.092 -6.132 -5.340) 8.204 11.827 ( -10.182 6.790 -12.070) 17.189 12.232 ( -14.752 -8.493 -12.229) 20.959 12.498 ( 5.990 10.869 6.566) 14.040 12.629 ( 2.420 3.036 4.614) 6.030 12.825 ( 0.891 7.203 1.377) 7.388 12.890 ( 0.980 -0.254 1.232) 1.595 13.052 ( 9.633 11.000 -0.962) 14.654 13.277 ( 0.041 8.989 1.090) 9.055 13.354 ( -1.064 14.566 -3.517) 15.023 13.605 ( -3.305 19.722 4.937) 20.597 13.757 ( -11.006 11.693 -6.138) 17.191 13.872 ( -9.960 4.977 -8.801) 14.192 14.019 ( 1.250 16.172 3.523) 16.598 14.310 ( -9.026 15.594 -7.438) 19.493 14.821 ( -0.346 -7.406 1.259) 7.521 14.849 ( -3.056 -10.705 -0.226) 11.135 15.103 ( 1.469 -8.258 6.605) 10.676 15.283 ( 1.992 2.074 6.005) 6.658 15.377 ( -5.637 -4.920 -0.792) 7.524 15.457 ( -2.724 4.909 0.529) 5.638 15.624 ( 3.085 -0.425 -10.122) 10.591 15.694 ( -0.228 -6.653 -6.562) 9.347 16.607 ( 3.904 1.136 0.601) 4.110 16.621 ( 3.287 0.141 -0.164) 3.294 16.711 ( 3.957 -6.694 0.688) 7.807 16.800 ( 1.136 -7.282 -3.630) 8.216 16.933 ( 1.235 -0.832 3.419) 3.729 17.009 ( 0.643 -0.132 -0.356) 0.747 17.145 ( -3.721 2.575 4.015) 6.049 17.227 ( -3.321 -0.774 1.698) 3.809 17.444 ( 3.875 -0.052 -0.824) 3.962 17.547 ( -0.377 3.204 -4.617) 5.632 17.939 ( 5.638 -19.414 0.714) 20.229 18.046 ( 2.001 -16.871 -4.968) 17.700 19.786 ( 12.435 8.204 5.651) 15.934 19.984 ( 10.250 2.275 -3.520) 11.074 20.434 ( -8.627 -2.377 5.669) 10.593 20.550 ( -5.553 -4.862 -0.480) 7.396 21.032 ( -3.494 18.550 1.704) 18.953 21.096 ( -6.851 15.859 -0.611) 17.286 21.474 ( 1.939 -4.888 2.708) 5.915 21.626 ( -4.427 -10.272 -4.766) 12.159 24.113 ( 3.691 21.802 15.025) 26.734 24.280 ( -2.744 8.054 8.815) 12.252 24.631 ( 3.335 -6.638 -9.232) 11.850 24.752 ( -3.139 -8.006 -11.391) 14.272 25.709 ( 2.800 1.066 2.734) 4.056 25.859 ( -3.579 6.899 -2.107) 8.053 25.946 ( 1.373 -5.045 -5.470) 7.567 26.005 ( -2.344 -3.074 -6.348) 7.432 26.553 ( 10.152 9.058 4.974) 14.486 26.671 ( 7.522 11.379 -0.694) 13.658 27.046 ( 3.787 -3.849 7.255) 9.044 27.121 ( 1.164 -0.736 3.181) 3.466 27.426 ( 0.355 0.248 0.238) 0.494 27.499 ( -3.817 4.212 -2.322) 6.140 27.607 ( -4.052 -4.642 3.677) 7.176 27.620 ( -8.204 -2.525 0.338) 8.591 27.769 ( 3.442 -1.807 7.659) 8.589 27.833 ( 2.145 -2.061 6.511) 7.159 27.985 ( -3.149 0.822 4.110) 5.243 28.006 ( -3.280 -0.069 5.910) 6.760 28.225 ( 4.180 7.049 -0.446) 8.208 28.376 ( -2.818 2.028 2.026) 4.020 28.520 ( 1.008 -7.118 -6.799) 9.895 28.591 ( -1.217 -6.477 -4.136) 7.781 28.714 ( 4.570 -0.111 1.172) 4.719 28.834 ( 3.173 -5.066 -5.379) 8.041 28.933 ( -4.651 -5.743 -3.454) 8.158 28.976 ( -3.120 -7.808 -5.820) 10.226 29.329 ( 0.900 3.911 0.008) 4.013 29.395 ( -2.297 3.359 -2.481) 4.766 29.558 ( -0.719 -6.861 1.533) 7.067 29.628 ( -2.855 -8.361 -0.888) 8.880 29.978 ( 2.485 4.596 1.756) 5.512 30.032 ( 1.735 3.743 -0.798) 4.202 30.153 ( -0.187 0.496 2.683) 2.735 30.244 ( -2.784 -0.931 -1.991) 3.547 31.805 ( 3.325 10.602 -0.700) 11.133 31.887 ( 0.265 14.508 -5.674) 15.581 32.117 ( 0.807 12.297 12.453) 17.520 32.243 ( -6.761 4.503 6.693) 10.526 32.567 ( 3.111 -3.278 -2.837) 5.336 32.634 ( 0.325 -9.161 6.310) 11.129 32.748 ( -3.338 2.637 -12.065) 12.793 32.790 ( -4.612 -4.999 1.544) 6.975 32.889 ( -3.579 -6.275 -4.012) 8.263 33.028 ( -5.975 -0.078 -6.695) 8.974 33.136 ( -3.524 -9.949 -0.376) 10.561 33.323 ( -9.590 -8.583 -5.152) 13.863 34.138 ( 9.419 13.235 4.230) 16.786 34.236 ( 5.145 12.491 0.190) 13.511 34.715 ( 9.484 -10.588 4.299) 14.850 34.858 ( 3.426 -15.370 -1.796) 15.849 ======================= Grid point 115 (44/64) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -3.004 -4.568 -0.233) 5.472 1.869 ( 3.004 -4.568 -0.233) 5.472 2.204 ( -3.918 1.484 4.156) 5.901 2.204 ( 3.918 1.484 4.156) 5.901 2.302 ( -1.891 -3.559 -1.994) 4.496 2.302 ( 1.891 -3.559 -1.994) 4.496 2.522 ( -0.654 -7.765 0.223) 7.796 2.522 ( 0.654 -7.765 0.223) 7.796 2.683 ( -1.717 -9.692 -1.893) 10.023 2.683 ( 1.717 -9.692 -1.893) 10.023 2.760 ( -1.420 -5.131 -2.006) 5.690 2.760 ( 1.420 -5.131 -2.006) 5.690 3.577 ( -7.864 7.643 13.043) 17.041 3.577 ( 7.864 7.643 13.043) 17.041 3.723 ( -12.409 3.295 12.536) 17.944 3.723 ( 12.409 3.295 12.536) 17.944 4.041 ( -6.535 4.797 4.493) 9.269 4.041 ( 6.535 4.797 4.493) 9.269 4.241 ( -10.157 2.364 -3.118) 10.885 4.241 ( 10.157 2.364 -3.118) 10.885 4.570 ( -2.629 1.084 7.934) 8.428 4.570 ( 2.629 1.084 7.934) 8.428 4.897 ( -4.541 -2.297 -7.201) 8.818 4.897 ( 4.541 -2.297 -7.201) 8.818 5.229 ( -0.715 -9.796 6.243) 11.638 5.229 ( 0.715 -9.796 6.243) 11.638 5.310 ( -6.436 -6.242 -4.349) 9.965 5.310 ( 6.436 -6.242 -4.349) 9.965 5.652 ( -3.341 6.193 1.901) 7.290 5.652 ( 3.341 6.193 1.901) 7.290 5.956 ( -3.449 -1.584 -5.230) 6.462 5.956 ( 3.450 -1.584 -5.230) 6.462 6.255 ( -4.394 -14.298 17.208) 22.800 6.255 ( 4.394 -14.298 17.208) 22.800 6.849 ( -10.334 -29.945 0.838) 31.689 6.849 ( 10.334 -29.945 0.838) 31.689 7.023 ( -6.278 2.105 -5.191) 8.414 7.023 ( 6.278 2.105 -5.191) 8.414 7.257 ( -6.174 -10.891 0.202) 12.520 7.257 ( 6.174 -10.891 0.202) 12.520 8.103 ( -6.725 8.373 -0.118) 10.739 8.103 ( 6.725 8.373 -0.118) 10.739 8.359 ( -7.580 -4.445 -4.697) 9.964 8.359 ( 7.580 -4.445 -4.697) 9.964 8.658 ( -5.818 11.289 -11.084) 16.856 8.658 ( 5.818 11.289 -11.084) 16.856 8.939 ( -4.174 5.878 -9.243) 11.722 8.939 ( 4.174 5.878 -9.243) 11.722 9.736 ( -4.321 3.549 8.548) 10.214 9.736 ( 4.321 3.549 8.548) 10.214 9.952 ( -0.550 -5.642 6.133) 8.352 9.952 ( 0.550 -5.642 6.134) 8.352 10.417 ( -1.773 10.971 4.719) 12.074 10.417 ( 1.773 10.971 4.719) 12.074 10.745 ( -6.281 -3.605 -8.594) 11.239 10.745 ( 6.281 -3.605 -8.594) 11.239 11.212 ( -5.917 -5.486 9.050) 12.125 11.212 ( 5.917 -5.486 9.050) 12.125 11.382 ( -3.680 -11.278 8.582) 14.642 11.382 ( 3.680 -11.278 8.582) 14.642 11.623 ( -3.121 3.135 -11.057) 11.908 11.623 ( 3.121 3.135 -11.057) 11.908 11.933 ( -13.333 -10.074 -11.434) 20.248 11.933 ( 13.333 -10.074 -11.434) 20.248 12.614 ( -4.294 9.677 7.810) 13.156 12.614 ( 4.294 9.677 7.810) 13.156 12.863 ( -2.883 2.686 0.596) 3.985 12.863 ( 2.883 2.686 0.596) 3.985 13.238 ( -4.968 13.021 -3.677) 14.414 13.238 ( 4.968 13.021 -3.677) 14.414 13.419 ( -8.969 15.685 -4.388) 18.593 13.419 ( 8.969 15.685 -4.388) 18.593 13.708 ( -4.314 8.156 1.485) 9.345 13.708 ( 4.314 8.156 1.485) 9.345 14.132 ( -8.032 15.371 -5.641) 18.237 14.132 ( 8.032 15.371 -5.641) 18.237 14.813 ( -0.301 -8.906 0.520) 8.926 14.813 ( 0.301 -8.906 0.520) 8.926 15.195 ( -6.787 -9.610 4.879) 12.737 15.195 ( 6.787 -9.610 4.879) 12.737 15.389 ( -3.609 6.572 3.458) 8.257 15.389 ( 3.609 6.572 3.458) 8.257 15.675 ( -1.738 -4.667 -8.314) 9.691 15.675 ( 1.738 -4.667 -8.314) 9.691 16.657 ( -0.396 0.734 -1.008) 1.308 16.657 ( 0.396 0.734 -1.008) 1.308 16.779 ( -2.557 -7.956 -0.184) 8.359 16.779 ( 2.557 -7.956 -0.184) 8.359 16.982 ( -3.164 3.902 2.346) 5.545 16.982 ( 3.164 3.902 2.346) 5.545 17.149 ( -3.651 -1.252 1.818) 4.266 17.149 ( 3.651 -1.252 1.818) 4.266 17.514 ( -2.767 1.679 -2.568) 4.132 17.514 ( 2.767 1.679 -2.568) 4.132 18.032 ( -3.060 -18.851 -2.782) 19.300 18.032 ( 3.060 -18.851 -2.782) 19.300 20.033 ( -8.963 7.410 1.755) 11.762 20.033 ( 8.963 7.410 1.755) 11.762 20.391 ( -7.456 -6.157 3.449) 10.266 20.391 ( 7.456 -6.157 3.449) 10.266 21.007 ( -1.496 19.496 0.319) 19.556 21.007 ( 1.496 19.496 0.319) 19.556 21.537 ( -4.031 -8.863 -1.671) 9.879 21.537 ( 4.031 -8.863 -1.671) 9.879 24.203 ( -4.621 14.623 11.741) 19.314 24.203 ( 4.621 14.623 11.741) 19.314 24.692 ( -2.818 -8.459 -10.691) 13.921 24.692 ( 2.818 -8.459 -10.691) 13.921 25.780 ( -3.946 5.234 -0.026) 6.555 25.780 ( 3.946 5.234 -0.026) 6.555 25.971 ( -1.247 -4.276 -6.290) 7.707 25.971 ( 1.247 -4.276 -6.290) 7.707 26.709 ( -3.891 13.656 4.280) 14.831 26.709 ( 3.891 13.656 4.280) 14.831 27.129 ( -2.914 -1.977 2.238) 4.173 27.129 ( 2.914 -1.977 2.238) 4.173 27.443 ( -5.845 -0.299 0.393) 5.866 27.443 ( 5.845 -0.299 0.393) 5.866 27.521 ( -3.359 -5.571 2.586) 7.001 27.521 ( 3.359 -5.571 2.586) 7.001 27.861 ( -3.186 1.034 9.062) 9.661 27.861 ( 3.186 1.034 9.062) 9.661 27.936 ( -1.742 -1.904 4.579) 5.256 27.936 ( 1.742 -1.904 4.579) 5.256 28.306 ( -3.817 4.746 1.838) 6.362 28.306 ( 3.817 4.746 1.838) 6.362 28.556 ( -2.067 -7.549 -7.073) 10.550 28.556 ( 2.067 -7.549 -7.073) 10.550 28.820 ( -5.378 -2.656 -2.601) 6.538 28.820 ( 5.378 -2.656 -2.601) 6.538 28.909 ( -3.326 -6.858 -4.512) 8.858 28.909 ( 3.326 -6.858 -4.512) 8.858 29.354 ( -1.625 3.980 -1.733) 4.635 29.354 ( 1.625 3.980 -1.733) 4.635 29.574 ( -2.080 -7.118 -0.721) 7.451 29.574 ( 2.080 -7.118 -0.721) 7.451 30.027 ( -1.929 5.433 0.726) 5.811 30.027 ( 1.929 5.433 0.726) 5.811 30.183 ( -2.857 -1.485 0.013) 3.220 30.183 ( 2.857 -1.485 0.013) 3.220 31.866 ( -2.327 15.553 -2.295) 15.893 31.866 ( 2.327 15.553 -2.295) 15.893 32.145 ( -2.640 7.209 9.226) 12.002 32.145 ( 2.640 7.209 9.226) 12.002 32.635 ( -2.991 -4.597 -2.265) 5.934 32.635 ( 2.991 -4.597 -2.265) 5.934 32.711 ( -2.928 -3.888 -0.659) 4.912 32.711 ( 2.928 -3.888 -0.659) 4.912 32.901 ( -4.311 -2.056 -4.067) 6.274 32.901 ( 4.311 -2.056 -4.067) 6.274 33.171 ( -5.105 -11.461 -4.798) 13.433 33.171 ( 5.105 -11.461 -4.798) 13.433 34.263 ( -2.549 14.491 3.165) 15.050 34.263 ( 2.549 14.491 3.165) 15.050 34.853 ( -3.772 -14.476 0.511) 14.968 34.853 ( 3.772 -14.476 0.511) 14.968 ======================= Grid point 119 (45/64) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 0.000 -1.078 -1.018) 1.483 1.905 ( 0.000 1.078 -1.018) 1.483 2.171 ( 0.000 -5.129 6.927) 8.619 2.171 ( 0.000 5.129 6.927) 8.619 2.345 ( 0.000 -7.880 -3.499) 8.622 2.345 ( 0.000 7.880 -3.499) 8.622 2.624 ( 0.000 -6.640 2.505) 7.096 2.624 ( 0.000 6.640 2.505) 7.096 2.712 ( 0.000 -5.919 0.621) 5.951 2.712 ( 0.000 5.919 0.621) 5.951 2.897 ( 0.000 -4.211 -0.043) 4.211 2.897 ( 0.000 4.211 -0.043) 4.211 3.336 ( 0.000 -1.792 10.913) 11.059 3.336 ( 0.000 1.792 10.913) 11.059 3.508 ( 0.000 -8.933 5.507) 10.494 3.508 ( 0.000 8.933 5.507) 10.494 4.233 ( 0.000 -4.661 8.817) 9.973 4.233 ( 0.000 4.661 8.817) 9.973 4.273 ( 0.000 -4.890 -5.367) 7.261 4.273 ( 0.000 4.890 -5.367) 7.261 4.546 ( 0.000 -24.222 3.389) 24.458 4.546 ( 0.000 24.222 3.389) 24.458 4.761 ( 0.000 -13.087 -3.141) 13.458 4.761 ( 0.000 13.087 -3.141) 13.458 5.064 ( 0.000 -0.374 0.897) 0.972 5.064 ( 0.000 0.374 0.897) 0.972 5.282 ( 0.000 -1.374 5.404) 5.575 5.282 ( 0.000 1.374 5.404) 5.575 5.866 ( 0.000 -4.644 20.788) 21.300 5.866 ( 0.000 4.644 20.788) 21.300 5.964 ( 0.000 -7.795 0.399) 7.805 5.964 ( 0.000 7.795 0.399) 7.805 6.067 ( 0.000 -7.653 -5.789) 9.595 6.067 ( 0.000 7.653 -5.789) 9.595 6.693 ( 0.000 -13.470 1.118) 13.516 6.693 ( 0.000 13.470 1.118) 13.516 7.193 ( 0.000 -8.982 13.945) 16.587 7.193 ( 0.000 8.982 13.945) 16.587 7.421 ( 0.000 -4.919 -7.869) 9.280 7.421 ( 0.000 4.919 -7.869) 9.280 7.902 ( 0.000 -3.331 -21.543) 21.799 7.902 ( 0.000 3.331 -21.543) 21.799 8.116 ( 0.000 -6.437 -17.576) 18.718 8.116 ( 0.000 6.437 -17.576) 18.718 8.580 ( 0.000 -1.880 -3.342) 3.835 8.580 ( 0.000 1.880 -3.342) 3.835 9.314 ( 0.000 -15.956 4.432) 16.560 9.314 ( 0.000 15.956 4.432) 16.560 9.557 ( 0.000 -2.020 -4.578) 5.003 9.557 ( 0.000 2.020 -4.578) 5.003 10.142 ( 0.000 -1.196 6.164) 6.279 10.142 ( 0.000 1.196 6.164) 6.279 10.300 ( 0.000 -14.101 7.148) 15.809 10.300 ( 0.000 14.101 7.148) 15.809 10.572 ( 0.000 -12.590 -3.634) 13.104 10.572 ( 0.000 12.590 -3.634) 13.104 10.768 ( 0.000 -11.864 12.836) 17.479 10.768 ( 0.000 11.864 12.836) 17.479 11.178 ( 0.000 -7.580 -1.409) 7.710 11.178 ( 0.000 7.580 -1.409) 7.710 11.729 ( 0.000 -5.885 1.600) 6.099 11.729 ( 0.000 5.885 1.600) 6.099 12.449 ( 0.000 -10.888 -2.941) 11.278 12.449 ( 0.000 10.888 -2.941) 11.278 12.575 ( 0.000 -3.774 -1.157) 3.948 12.575 ( 0.000 3.774 -1.157) 3.948 12.656 ( 0.000 -2.739 -14.338) 14.597 12.656 ( 0.000 2.739 -14.338) 14.597 13.097 ( 0.000 -2.563 19.966) 20.130 13.097 ( 0.000 2.563 19.966) 20.130 13.792 ( 0.000 -0.411 -12.547) 12.553 13.792 ( 0.000 0.411 -12.547) 12.553 14.109 ( 0.000 -6.155 6.837) 9.199 14.109 ( 0.000 6.155 6.837) 9.199 14.611 ( 0.000 -8.923 -3.826) 9.709 14.611 ( 0.000 8.923 -3.826) 9.709 14.782 ( 0.000 -1.382 2.464) 2.825 14.782 ( 0.000 1.382 2.464) 2.825 15.179 ( 0.000 -8.857 -1.816) 9.041 15.179 ( 0.000 8.857 -1.816) 9.041 15.521 ( 0.000 -1.350 -9.885) 9.977 15.521 ( 0.000 1.350 -9.885) 9.977 15.563 ( 0.000 -3.722 -2.282) 4.365 15.563 ( 0.000 3.722 -2.282) 4.366 16.473 ( 0.000 -0.902 1.047) 1.382 16.473 ( 0.000 0.902 1.047) 1.382 16.591 ( 0.000 -5.819 0.610) 5.850 16.591 ( 0.000 5.819 0.610) 5.850 16.893 ( 0.000 -3.030 0.527) 3.076 16.893 ( 0.000 3.030 0.527) 3.076 17.301 ( 0.000 -1.939 0.851) 2.117 17.301 ( 0.000 1.939 0.851) 2.117 17.457 ( 0.000 -11.925 4.681) 12.811 17.457 ( 0.000 11.925 4.681) 12.811 17.681 ( 0.000 -10.161 -6.966) 12.319 17.681 ( 0.000 10.161 -6.966) 12.319 19.666 ( 0.000 -6.150 2.108) 6.501 19.666 ( 0.000 6.150 2.108) 6.501 20.579 ( 0.000 -0.894 0.430) 0.992 20.579 ( 0.000 0.894 0.430) 0.992 21.411 ( 0.000 -4.496 1.032) 4.613 21.411 ( 0.000 4.496 1.032) 4.613 21.509 ( 0.000 -6.259 0.038) 6.259 21.509 ( 0.000 6.259 0.038) 6.259 24.382 ( 0.000 -7.227 3.724) 8.130 24.382 ( 0.000 7.227 3.724) 8.130 24.629 ( 0.000 -19.490 4.080) 19.912 24.629 ( 0.000 19.490 4.080) 19.912 25.709 ( 0.000 -10.017 -5.173) 11.274 25.709 ( 0.000 10.017 -5.173) 11.274 26.081 ( 0.000 -4.038 -7.675) 8.672 26.081 ( 0.000 4.038 -7.675) 8.672 26.295 ( 0.000 -4.399 6.114) 7.532 26.295 ( 0.000 4.399 6.114) 7.532 27.112 ( 0.000 -6.596 -0.503) 6.615 27.112 ( 0.000 6.596 -0.503) 6.615 27.408 ( 0.000 -7.832 5.417) 9.523 27.408 ( 0.000 7.832 5.417) 9.523 27.718 ( 0.000 -1.289 0.616) 1.429 27.718 ( 0.000 1.289 0.616) 1.429 27.860 ( 0.000 -1.051 2.544) 2.753 27.860 ( 0.000 1.051 2.544) 2.753 28.060 ( 0.000 -0.390 3.128) 3.152 28.060 ( 0.000 0.390 3.128) 3.152 28.325 ( 0.000 -7.038 -6.250) 9.412 28.325 ( 0.000 7.038 -6.250) 9.412 28.534 ( 0.000 -3.279 3.176) 4.565 28.534 ( 0.000 3.279 3.176) 4.565 28.692 ( 0.000 -3.272 -0.960) 3.410 28.692 ( 0.000 3.272 -0.960) 3.410 28.931 ( 0.000 -0.874 -3.908) 4.004 28.931 ( 0.000 0.874 -3.908) 4.004 29.422 ( 0.000 -7.583 2.048) 7.854 29.422 ( 0.000 7.583 2.048) 7.854 29.543 ( 0.000 -3.263 0.659) 3.329 29.543 ( 0.000 3.263 0.659) 3.329 29.968 ( 0.000 -0.451 0.285) 0.534 29.968 ( 0.000 0.451 0.285) 0.534 30.260 ( 0.000 -3.618 -1.098) 3.781 30.260 ( 0.000 3.618 -1.098) 3.781 31.862 ( 0.000 -5.572 -1.716) 5.830 31.862 ( 0.000 5.572 -1.716) 5.830 32.379 ( 0.000 -11.964 10.842) 16.146 32.379 ( 0.000 11.964 10.842) 16.146 32.480 ( 0.000 -6.129 2.230) 6.522 32.480 ( 0.000 6.129 2.230) 6.522 32.925 ( 0.000 -7.437 -9.022) 11.692 32.925 ( 0.000 7.437 -9.022) 11.692 33.105 ( 0.000 -2.379 -8.332) 8.665 33.105 ( 0.000 2.379 -8.332) 8.665 33.516 ( 0.000 -3.762 -0.745) 3.835 33.516 ( 0.000 3.762 -0.745) 3.835 33.870 ( 0.000 -4.851 -3.442) 5.948 33.870 ( 0.000 4.851 -3.442) 5.948 34.478 ( 0.000 -6.391 7.096) 9.550 34.478 ( 0.000 6.391 7.096) 9.550 ======================= Grid point 121 (46/64) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 6.994 -4.139 -2.256) 8.434 1.989 ( 6.994 4.139 -2.256) 8.434 2.130 ( -3.622 -2.171 3.821) 5.695 2.130 ( -3.622 2.171 3.821) 5.695 2.292 ( -4.922 -7.008 -2.565) 8.940 2.292 ( -4.922 7.008 -2.565) 8.940 2.566 ( -4.770 -3.864 4.599) 7.670 2.566 ( -4.770 3.864 4.599) 7.670 2.682 ( -2.424 -4.011 -1.285) 4.860 2.682 ( -2.424 4.011 -1.285) 4.860 2.832 ( -5.658 -3.467 -0.517) 6.656 2.832 ( -5.658 3.467 -0.517) 6.656 3.335 ( 2.304 -6.805 13.907) 15.653 3.335 ( 2.304 6.805 13.907) 15.653 3.615 ( 8.861 -7.374 3.949) 12.185 3.615 ( 8.861 7.374 3.949) 12.185 4.205 ( -4.268 -1.244 3.619) 5.732 4.205 ( -4.268 1.244 3.619) 5.732 4.342 ( 5.515 -1.247 0.778) 5.707 4.342 ( 5.515 1.247 0.778) 5.707 4.557 ( 1.558 -14.482 5.848) 15.695 4.557 ( 1.558 14.482 5.848) 15.695 4.809 ( 2.640 -12.484 -6.473) 14.308 4.809 ( 2.640 12.484 -6.473) 14.308 5.051 ( -0.355 -1.819 4.234) 4.622 5.051 ( -0.355 1.819 4.234) 4.622 5.275 ( -0.560 -5.181 3.349) 6.195 5.275 ( -0.560 5.181 3.349) 6.195 5.847 ( -1.858 -10.770 13.114) 17.071 5.847 ( -1.858 10.770 13.114) 17.071 5.945 ( -1.026 -7.953 1.349) 8.131 5.945 ( -1.026 7.953 1.349) 8.131 6.050 ( -1.463 -9.388 0.961) 9.550 6.050 ( -1.463 9.388 0.961) 9.550 6.607 ( -5.979 -15.594 0.917) 16.726 6.607 ( -5.979 15.594 0.917) 16.726 7.074 ( -7.912 -7.035 1.098) 10.645 7.074 ( -7.912 7.035 1.098) 10.645 7.496 ( -0.616 -5.039 4.793) 6.982 7.496 ( -0.616 5.039 4.793) 6.982 7.869 ( 3.219 -6.763 -23.529) 24.692 7.869 ( 3.219 6.763 -23.529) 24.692 8.274 ( 11.801 -4.495 -12.685) 17.899 8.274 ( 11.801 4.495 -12.685) 17.899 8.549 ( -2.689 -4.520 -3.433) 6.281 8.549 ( -2.689 4.520 -3.433) 6.281 9.355 ( 1.388 -13.398 -1.841) 13.595 9.355 ( 1.388 13.398 -1.841) 13.595 9.535 ( -0.703 -9.097 2.253) 9.399 9.535 ( -0.703 9.097 2.253) 9.399 10.077 ( -4.518 -2.331 3.256) 6.037 10.077 ( -4.518 2.331 3.256) 6.037 10.377 ( 6.005 -10.342 6.996) 13.855 10.377 ( 6.005 10.342 6.996) 13.855 10.603 ( 2.893 -10.794 -0.870) 11.209 10.603 ( 2.893 10.794 -0.870) 11.209 10.848 ( 7.190 -9.218 9.538) 15.087 10.848 ( 7.190 9.218 9.538) 15.087 11.185 ( 0.932 -8.885 1.223) 9.017 11.185 ( 0.932 8.885 1.223) 9.017 11.690 ( -3.387 -5.688 -0.930) 6.685 11.690 ( -3.387 5.688 -0.930) 6.685 12.317 ( -12.680 -11.936 -11.368) 20.796 12.317 ( -12.680 11.936 -11.368) 20.796 12.547 ( 3.615 -3.417 1.669) 5.247 12.547 ( 3.615 3.417 1.669) 5.247 12.803 ( 7.109 -0.767 -5.480) 9.009 12.803 ( 7.109 0.767 -5.480) 9.009 13.114 ( 2.162 -5.106 15.495) 16.458 13.114 ( 2.162 5.106 15.495) 16.458 13.782 ( -1.671 -6.530 -14.241) 15.756 13.782 ( -1.671 6.530 -14.241) 15.756 14.067 ( -3.475 -2.736 7.436) 8.652 14.067 ( -3.475 2.736 7.436) 8.652 14.484 ( -10.579 -11.216 -5.300) 16.303 14.484 ( -10.579 11.216 -5.300) 16.303 14.791 ( 0.696 -1.673 4.736) 5.070 14.791 ( 0.696 1.673 4.736) 5.070 15.141 ( -3.781 -12.142 -2.423) 12.946 15.141 ( -3.781 12.142 -2.423) 12.946 15.509 ( -0.206 -7.814 -4.760) 9.152 15.509 ( -0.206 7.814 -4.760) 9.152 15.583 ( 0.741 -1.087 -4.355) 4.550 15.583 ( 0.741 1.087 -4.355) 4.550 16.509 ( 3.255 -1.791 1.257) 3.922 16.509 ( 3.255 1.791 1.257) 3.922 16.628 ( 3.073 -5.696 -0.554) 6.496 16.628 ( 3.073 5.696 -0.554) 6.496 16.908 ( 1.581 -2.901 1.526) 3.640 16.908 ( 1.581 2.901 1.526) 3.640 17.281 ( -2.305 -1.248 0.131) 2.624 17.281 ( -2.305 1.248 0.131) 2.624 17.491 ( 3.496 -12.861 4.229) 13.983 17.491 ( 3.496 12.861 4.229) 13.983 17.708 ( 2.091 -11.452 -7.055) 13.613 17.708 ( 2.091 11.452 -7.055) 13.613 19.741 ( 7.247 -6.202 2.665) 9.904 19.741 ( 7.247 6.202 2.665) 9.904 20.548 ( -3.303 -1.505 0.727) 3.701 20.548 ( -3.303 1.505 0.727) 3.701 21.381 ( -2.595 -4.180 0.787) 4.983 21.381 ( -2.595 4.180 0.787) 4.983 21.478 ( -2.925 -7.746 -0.060) 8.280 21.478 ( -2.925 7.746 -0.060) 8.280 24.389 ( 0.824 -8.783 3.220) 9.391 24.389 ( 0.824 8.783 3.220) 9.391 24.600 ( -2.554 -17.981 3.275) 18.455 24.600 ( -2.554 17.981 3.275) 18.455 25.740 ( 2.745 -9.174 -5.292) 10.941 25.740 ( 2.745 9.174 -5.292) 10.941 26.029 ( -3.372 -2.853 -5.189) 6.814 26.029 ( -3.372 2.853 -5.189) 6.814 26.444 ( 12.293 -4.660 4.345) 13.846 26.444 ( 12.293 4.660 4.345) 13.846 27.082 ( -2.136 -5.740 1.257) 6.252 27.082 ( -2.136 5.740 1.257) 6.252 27.450 ( 3.188 -7.457 3.863) 8.982 27.450 ( 3.188 7.457 3.863) 8.982 27.703 ( -2.091 -1.562 1.947) 3.256 27.703 ( -2.091 1.562 1.947) 3.256 27.808 ( -4.539 -2.866 1.231) 5.508 27.808 ( -4.539 2.866 1.231) 5.508 28.044 ( -1.448 -0.350 4.837) 5.061 28.044 ( -1.448 0.350 4.837) 5.061 28.337 ( 1.209 -6.366 -5.831) 8.717 28.337 ( 1.209 6.366 -5.831) 8.717 28.512 ( -2.000 -3.573 1.949) 4.535 28.512 ( -2.000 3.573 1.949) 4.535 28.707 ( 1.508 -3.450 -1.345) 3.998 28.707 ( 1.508 3.450 -1.345) 3.998 28.915 ( -1.561 -0.974 -3.990) 4.394 28.915 ( -1.561 0.974 -3.990) 4.394 29.419 ( -0.134 -6.355 1.372) 6.503 29.419 ( -0.134 6.355 1.372) 6.503 29.527 ( -1.450 -3.860 0.035) 4.124 29.527 ( -1.450 3.860 0.035) 4.124 29.990 ( 2.117 -1.100 0.720) 2.492 29.990 ( 2.117 1.100 0.720) 2.492 30.243 ( -1.641 -3.516 -1.056) 4.021 30.243 ( -1.641 3.516 -1.056) 4.021 31.901 ( 3.719 -5.654 -1.256) 6.883 31.901 ( 3.719 5.654 -1.256) 6.883 32.386 ( -0.014 -13.338 11.164) 17.394 32.386 ( -0.014 13.338 11.164) 17.394 32.460 ( -1.601 -5.432 0.243) 5.668 32.460 ( -1.601 5.432 0.243) 5.668 32.874 ( -5.733 -5.836 -4.426) 9.302 32.874 ( -5.733 5.836 -4.426) 9.302 32.972 ( -6.801 -4.165 -9.848) 12.673 32.972 ( -6.801 4.165 -9.848) 12.673 33.400 ( -10.911 -5.870 -2.944) 12.734 33.400 ( -10.911 5.870 -2.944) 12.734 34.067 ( 15.545 -5.555 -1.509) 16.577 34.067 ( 15.545 5.555 -1.509) 16.577 34.537 ( 4.368 -6.763 5.977) 10.027 34.537 ( 4.368 6.763 5.977) 10.027 ======================= Grid point 123 (47/64) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -2.866 -8.440 -2.089) 9.155 2.019 ( -2.866 8.440 -2.089) 9.155 2.155 ( -6.281 -6.321 -0.338) 8.917 2.155 ( -6.281 6.321 -0.338) 8.917 2.187 ( 6.858 -3.119 -2.158) 7.837 2.187 ( 6.858 3.119 -2.158) 7.837 2.456 ( -5.577 -2.203 2.446) 6.476 2.456 ( -5.577 2.203 2.446) 6.476 2.644 ( -0.951 -1.233 -1.674) 2.286 2.644 ( -0.951 1.233 -1.674) 2.286 2.715 ( -4.960 -2.252 -1.362) 5.615 2.715 ( -4.960 2.252 -1.362) 5.615 3.469 ( 10.530 -6.039 16.553) 20.527 3.469 ( 10.530 6.039 16.553) 20.527 3.804 ( 6.571 -8.938 5.992) 12.608 3.804 ( 6.571 8.938 5.992) 12.608 4.091 ( -4.030 -2.503 3.784) 6.068 4.091 ( -4.030 2.503 3.784) 6.068 4.367 ( -4.294 -6.553 -0.259) 7.839 4.367 ( -4.294 6.553 -0.259) 7.839 4.623 ( 3.781 -6.220 8.634) 11.293 4.623 ( 3.781 6.220 8.634) 11.293 4.778 ( -4.581 -6.959 -0.507) 8.346 4.778 ( -4.581 6.959 -0.507) 8.346 5.101 ( 4.696 -4.113 0.690) 6.280 5.101 ( 4.696 4.113 0.690) 6.281 5.258 ( -1.525 -6.477 -1.577) 6.839 5.258 ( -1.525 6.477 -1.577) 6.839 5.817 ( -0.733 -13.337 5.191) 14.331 5.817 ( -0.733 13.337 5.191) 14.331 5.899 ( -3.617 -6.099 1.449) 7.237 5.899 ( -3.617 6.099 1.449) 7.237 6.081 ( 6.204 -1.206 6.725) 9.228 6.081 ( 6.204 1.206 6.725) 9.228 6.487 ( -7.335 -18.420 -0.239) 19.828 6.487 ( -7.335 18.420 -0.239) 19.828 6.975 ( 0.445 -5.346 0.433) 5.382 6.975 ( 0.445 5.346 0.433) 5.382 7.341 ( -11.478 -5.280 -2.044) 12.799 7.341 ( -11.478 5.280 -2.044) 12.799 8.045 ( 10.625 -5.348 -7.978) 14.323 8.045 ( 10.625 5.348 -7.978) 14.323 8.396 ( -4.663 -2.550 -3.961) 6.628 8.396 ( -4.663 2.550 -3.961) 6.628 8.617 ( 13.808 -6.773 -11.608) 19.269 8.617 ( 13.808 6.773 -11.608) 19.269 9.231 ( -12.157 -2.490 -10.532) 16.276 9.231 ( -12.157 2.490 -10.532) 16.276 9.631 ( 8.574 -2.683 8.895) 12.642 9.631 ( 8.574 2.683 8.895) 12.642 9.974 ( -6.241 -2.077 5.188) 8.378 9.974 ( -6.241 2.077 5.188) 8.378 10.511 ( 6.946 -8.040 2.500) 10.915 10.511 ( 6.946 8.040 2.500) 10.915 10.665 ( 1.790 -9.366 2.132) 9.771 10.665 ( 1.790 9.366 2.132) 9.771 11.022 ( 9.043 -8.272 4.716) 13.132 11.022 ( 9.043 8.272 4.716) 13.132 11.217 ( 1.489 -4.856 9.553) 10.819 11.217 ( 1.489 4.856 9.553) 10.819 11.630 ( -0.686 -2.798 -8.261) 8.749 11.630 ( -0.686 2.798 -8.261) 8.749 12.026 ( -15.115 -10.744 -12.124) 22.156 12.026 ( -15.115 10.744 -12.124) 22.156 12.662 ( 6.916 -3.116 2.640) 8.032 12.662 ( 6.916 3.116 2.640) 8.032 12.874 ( -0.574 -0.384 3.801) 3.863 12.874 ( -0.574 0.384 3.801) 3.864 13.220 ( 8.609 -6.136 2.745) 10.923 13.220 ( 8.609 6.136 2.745) 10.923 13.673 ( -9.525 -11.085 -11.798) 18.783 13.673 ( -9.525 11.085 -11.798) 18.783 14.027 ( 0.718 -13.734 3.842) 14.279 14.027 ( 0.718 13.734 3.842) 14.279 14.258 ( -10.281 -16.140 -4.907) 19.756 14.258 ( -10.281 16.140 -4.907) 19.756 14.823 ( 2.830 -7.816 5.067) 9.735 14.823 ( 2.830 7.816 5.067) 9.735 15.036 ( -6.164 -15.150 -1.392) 16.415 15.036 ( -6.164 15.150 -1.392) 16.415 15.520 ( 1.144 -9.341 -1.780) 9.578 15.520 ( 1.144 9.341 -1.780) 9.578 15.578 ( -1.078 -4.285 -3.013) 5.348 15.578 ( -1.078 4.285 -3.013) 5.348 16.588 ( 4.098 -2.090 1.125) 4.736 16.588 ( 4.098 2.090 1.125) 4.736 16.678 ( 0.970 -3.988 -1.507) 4.372 16.678 ( 0.970 3.988 -1.507) 4.372 16.970 ( 4.673 -3.537 2.542) 6.388 16.970 ( 4.673 3.537 2.542) 6.388 17.204 ( -5.067 -2.700 0.309) 5.750 17.204 ( -5.067 2.700 0.309) 5.750 17.588 ( 5.482 -13.801 1.133) 14.893 17.588 ( 5.482 13.801 1.133) 14.894 17.733 ( -0.262 -13.344 -6.032) 14.646 17.733 ( -0.262 13.344 -6.032) 14.646 19.946 ( 12.370 -6.112 3.424) 14.216 19.946 ( 12.370 6.112 3.424) 14.216 20.432 ( -8.374 -3.872 1.788) 9.398 20.432 ( -8.374 3.872 1.788) 9.398 21.331 ( -1.560 -4.795 0.198) 5.046 21.331 ( -1.560 4.795 0.198) 5.046 21.403 ( -3.990 -8.704 -0.233) 9.578 21.403 ( -3.990 8.704 -0.233) 9.578 24.420 ( 2.190 -10.410 2.056) 10.835 24.420 ( 2.190 10.410 2.056) 10.835 24.539 ( -3.231 -14.544 1.747) 15.001 24.539 ( -3.231 14.544 1.747) 15.001 25.808 ( 3.775 -7.015 -5.052) 9.433 25.808 ( 3.775 7.015 -5.052) 9.433 25.962 ( -3.396 -2.755 -4.159) 6.035 25.962 ( -3.396 2.755 -4.159) 6.035 26.731 ( 14.742 -6.539 4.598) 16.770 26.731 ( 14.742 6.539 4.598) 16.770 27.052 ( -1.001 -5.335 3.186) 6.294 27.052 ( -1.001 5.335 3.186) 6.294 27.472 ( -1.984 -5.186 2.157) 5.956 27.472 ( -1.984 5.186 2.157) 5.956 27.590 ( -8.404 -2.838 -0.282) 8.875 27.590 ( -8.404 2.838 -0.282) 8.875 27.780 ( 3.426 -3.128 4.338) 6.352 27.780 ( 3.426 3.128 4.338) 6.352 27.995 ( -3.653 -0.382 7.254) 8.131 27.995 ( -3.653 0.382 7.254) 8.131 28.372 ( 2.115 -5.345 -4.675) 7.409 28.372 ( 2.115 5.345 -4.675) 7.409 28.464 ( -2.482 -4.025 -1.055) 4.845 28.464 ( -2.482 4.025 -1.055) 4.845 28.751 ( 2.687 -3.268 -2.056) 4.704 28.751 ( 2.687 3.268 -2.056) 4.704 28.871 ( -2.717 -1.205 -3.794) 4.819 28.871 ( -2.717 1.205 -3.794) 4.819 29.423 ( 0.620 -4.726 -0.069) 4.767 29.423 ( 0.620 4.726 -0.069) 4.767 29.489 ( -2.163 -4.449 -1.074) 5.063 29.489 ( -2.163 4.449 -1.074) 5.063 30.050 ( 3.575 -1.961 1.036) 4.207 30.050 ( 3.575 1.961 1.036) 4.207 30.195 ( -2.959 -3.208 -0.602) 4.406 30.195 ( -2.959 3.208 -0.602) 4.406 32.005 ( 6.262 -5.582 0.020) 8.389 32.005 ( 6.262 5.582 0.020) 8.389 32.305 ( -7.233 -4.199 4.476) 9.486 32.305 ( -7.233 4.199 4.476) 9.486 32.486 ( 4.142 -2.014 2.860) 5.421 32.486 ( 4.142 2.014 2.860) 5.421 32.738 ( -6.561 -0.994 0.929) 6.701 32.738 ( -6.561 0.994 0.929) 6.701 32.909 ( -0.059 -6.956 -9.550) 11.814 32.909 ( -0.059 6.956 -9.550) 11.814 33.155 ( -11.547 -7.247 -5.244) 14.607 33.155 ( -11.547 7.247 -5.244) 14.607 34.370 ( 12.681 -5.948 0.571) 14.018 34.370 ( 12.681 5.948 0.571) 14.018 34.600 ( 1.001 -6.448 4.201) 7.761 34.600 ( 1.001 6.448 4.201) 7.761 ======================= Grid point 125 (48/64) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -2.061 -16.342 -2.134) 16.609 2.025 ( 1.263 -16.322 -2.134) 16.509 2.025 ( -1.263 16.322 -2.134) 16.509 2.025 ( 2.061 16.342 -2.134) 16.609 2.338 ( -4.548 -6.210 -0.026) 7.698 2.338 ( -0.565 -5.786 -0.026) 5.813 2.338 ( 0.565 5.786 -0.026) 5.813 2.338 ( 4.548 6.210 -0.026) 7.698 2.648 ( -0.638 -4.176 -1.899) 4.632 2.648 ( 0.101 -4.164 -1.899) 4.578 2.648 ( -0.101 4.164 -1.899) 4.578 2.648 ( 0.638 4.176 -1.899) 4.632 3.716 ( -11.658 -4.495 13.334) 18.273 3.716 ( -7.838 1.258 13.334) 15.518 3.716 ( 7.838 -1.258 13.334) 15.518 3.716 ( 11.658 4.495 13.334) 18.273 4.195 ( -8.587 -6.121 2.330) 10.800 4.195 ( -3.620 -4.723 2.330) 6.391 4.195 ( 3.620 4.723 2.330) 6.391 4.195 ( 8.587 6.121 2.330) 10.800 4.692 ( -3.530 -11.864 4.233) 13.081 4.692 ( 3.386 -11.853 4.233) 13.034 4.692 ( -3.386 11.853 4.233) 13.034 4.692 ( 3.530 11.864 4.233) 13.081 5.199 ( -4.193 -5.726 -2.850) 7.648 5.199 ( 3.856 -5.666 -2.850) 7.423 5.199 ( -3.856 5.666 -2.850) 7.423 5.199 ( 4.193 5.726 -2.850) 7.648 5.831 ( -2.335 -10.292 3.566) 11.139 5.831 ( 2.332 -10.292 3.566) 11.139 5.831 ( -2.332 10.292 3.566) 11.139 5.831 ( 2.335 10.292 3.566) 11.140 6.281 ( -9.464 -18.598 2.352) 21.000 6.281 ( 5.350 -18.184 2.352) 19.100 6.281 ( -5.350 18.184 2.352) 19.100 6.281 ( 9.464 18.598 2.352) 21.000 7.104 ( -10.120 -4.637 -0.262) 11.135 7.104 ( -4.481 -0.959 -0.262) 4.590 7.104 ( 4.481 0.959 -0.262) 4.590 7.104 ( 10.120 4.637 -0.262) 11.135 8.245 ( -8.500 -5.491 -3.450) 10.691 8.245 ( 1.031 -3.514 -3.450) 5.031 8.245 ( -1.031 3.514 -3.450) 5.031 8.245 ( 8.500 5.491 -3.450) 10.691 8.936 ( -12.670 -8.269 -12.711) 19.761 8.936 ( -7.003 -6.364 -12.711) 15.847 8.936 ( 7.003 6.364 -12.711) 15.847 8.936 ( 12.670 8.269 -12.711) 19.761 9.816 ( -6.129 -4.374 7.926) 10.933 9.816 ( -5.177 -4.055 7.926) 10.299 9.816 ( 5.177 4.055 7.926) 10.299 9.816 ( 6.129 4.374 7.926) 10.933 10.636 ( -4.348 -9.349 0.856) 10.346 10.636 ( 4.118 -9.323 0.856) 10.228 10.636 ( -4.118 9.323 0.856) 10.228 10.636 ( 4.348 9.349 0.856) 10.346 11.181 ( -5.393 -5.262 9.249) 11.930 11.181 ( 3.693 -4.882 9.249) 11.091 11.181 ( -3.693 4.882 9.249) 11.091 11.181 ( 5.393 5.262 9.249) 11.930 11.741 ( -11.403 -7.951 -12.099) 18.429 11.741 ( 9.563 -7.320 -12.099) 17.071 11.741 ( -9.563 7.320 -12.099) 17.071 11.741 ( 11.403 7.951 -12.099) 18.429 12.800 ( -3.600 -7.019 4.589) 9.126 12.800 ( -0.487 -6.788 4.589) 8.209 12.800 ( 0.487 6.788 4.589) 8.209 12.800 ( 3.600 7.019 4.589) 9.126 13.439 ( -12.124 -7.008 -5.261) 14.960 13.439 ( 9.679 -5.982 -5.261) 12.535 13.439 ( -9.679 5.982 -5.261) 12.535 13.439 ( 12.124 7.008 -5.261) 14.960 14.094 ( -5.391 -18.857 -1.866) 19.701 14.094 ( 5.141 -18.840 -1.866) 19.617 14.094 ( -5.141 18.840 -1.866) 19.617 14.094 ( 5.391 18.857 -1.866) 19.701 14.911 ( -5.025 -15.691 2.023) 16.600 14.911 ( 4.437 -15.647 2.023) 16.389 14.911 ( -4.437 15.647 2.023) 16.389 14.911 ( 5.025 15.691 2.023) 16.600 15.549 ( -1.568 -7.616 -1.613) 7.941 15.549 ( 1.550 -7.615 -1.613) 7.937 15.549 ( -1.550 7.615 -1.613) 7.937 15.549 ( 1.568 7.616 -1.613) 7.941 16.659 ( -2.544 -2.300 -0.063) 3.430 16.659 ( 2.441 -2.272 -0.063) 3.336 16.659 ( -2.441 2.272 -0.063) 3.336 16.659 ( 2.544 2.300 -0.063) 3.430 17.086 ( -5.522 -5.084 1.444) 7.644 17.086 ( 1.263 -4.316 1.444) 4.723 17.086 ( -1.263 4.316 1.444) 4.723 17.086 ( 5.522 5.084 1.444) 7.644 17.689 ( -3.931 -14.153 -2.981) 14.988 17.689 ( 3.919 -14.152 -2.981) 14.984 17.689 ( -3.919 14.152 -2.981) 14.984 17.689 ( 3.931 14.153 -2.981) 14.988 20.211 ( -10.544 -9.263 3.094) 14.372 20.211 ( -1.296 -7.644 3.094) 8.348 20.211 ( 1.296 7.644 3.094) 8.348 20.211 ( 10.544 9.263 3.094) 14.372 21.337 ( -1.325 -12.359 -0.243) 12.432 21.337 ( 1.089 -12.353 -0.243) 12.404 21.337 ( -1.089 12.353 -0.243) 12.404 21.337 ( 1.325 12.359 -0.243) 12.432 24.474 ( -2.930 -12.209 1.220) 12.614 24.474 ( 2.866 -12.205 1.220) 12.596 24.474 ( -2.866 12.205 1.220) 12.596 24.474 ( 2.930 12.209 1.220) 12.614 25.887 ( -3.833 -4.610 -4.341) 7.402 25.887 ( 3.531 -4.550 -4.341) 7.212 25.887 ( -3.531 4.550 -4.341) 7.212 25.887 ( 3.833 4.610 -4.341) 7.402 26.980 ( -6.354 -11.627 4.845) 14.108 26.980 ( 2.920 -11.279 4.845) 12.618 26.980 ( -2.920 11.279 4.845) 12.618 26.980 ( 6.354 11.627 4.845) 14.108 27.453 ( -2.458 -1.210 -0.238) 2.750 27.453 ( -1.712 -0.828 -0.238) 1.916 27.453 ( 1.712 0.828 -0.238) 1.916 27.453 ( 2.458 1.210 -0.238) 2.750 27.893 ( -5.510 -1.635 6.933) 9.006 27.893 ( -4.610 -0.629 6.933) 8.350 27.893 ( 4.610 0.629 6.933) 8.350 27.893 ( 5.510 1.635 6.933) 9.006 28.417 ( -1.808 -5.939 -3.266) 7.015 28.417 ( 1.436 -5.913 -3.266) 6.906 28.417 ( -1.436 5.913 -3.266) 6.906 28.417 ( 1.808 5.939 -3.266) 7.015 28.811 ( -3.042 -2.311 -2.982) 4.847 28.811 ( 2.765 -2.222 -2.982) 4.634 28.811 ( -2.765 2.222 -2.982) 4.634 28.811 ( 3.042 2.311 -2.982) 4.847 29.447 ( -1.524 -5.283 -1.208) 5.630 29.447 ( 1.333 -5.270 -1.208) 5.569 29.447 ( -1.333 5.270 -1.208) 5.569 29.447 ( 1.524 5.283 -1.208) 5.630 30.126 ( -3.128 -3.885 0.366) 5.001 30.126 ( 0.983 -3.589 0.366) 3.739 30.126 ( -0.983 3.589 0.366) 3.739 30.126 ( 3.128 3.885 0.366) 5.001 32.148 ( -5.446 -8.939 1.678) 10.601 32.148 ( 0.603 -8.519 1.678) 8.704 32.148 ( -0.603 8.519 1.678) 8.704 32.148 ( 5.446 8.939 1.678) 10.601 32.601 ( -4.401 -3.880 2.480) 6.369 32.601 ( -3.393 -3.617 2.480) 5.545 32.601 ( 3.393 3.617 2.480) 5.545 32.601 ( 4.401 3.880 2.480) 6.369 32.971 ( -6.136 -7.712 -7.278) 12.252 32.971 ( 6.091 -7.703 -7.278) 12.223 32.971 ( -6.091 7.703 -7.278) 12.223 32.971 ( 6.136 7.712 -7.278) 12.252 34.556 ( -3.058 -14.341 2.439) 14.865 34.556 ( 1.279 -14.274 2.439) 14.537 34.556 ( -1.279 14.274 2.439) 14.537 34.556 ( 3.058 14.341 2.439) 14.865 ======================= Grid point 147 (49/64) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 0.000 0.000 -20.578) 20.578 1.833 ( 0.000 0.000 20.578) 20.578 2.120 ( 0.000 0.000 -29.318) 29.318 2.120 ( 0.000 0.000 29.318) 29.318 2.298 ( 0.000 0.000 -1.304) 1.304 2.298 ( 0.000 0.000 1.304) 1.304 2.537 ( 0.000 0.000 -8.682) 8.682 2.537 ( 0.000 0.000 8.682) 8.682 2.964 ( 0.000 0.000 -1.506) 1.506 2.964 ( 0.000 0.000 1.506) 1.506 3.030 ( 0.000 0.000 -8.681) 8.681 3.030 ( 0.000 0.000 8.681) 8.681 3.464 ( 0.000 0.000 -8.543) 8.543 3.464 ( 0.000 0.000 8.543) 8.543 3.575 ( 0.000 0.000 -9.274) 9.274 3.575 ( 0.000 0.000 9.274) 9.274 4.122 ( 0.000 0.000 -4.248) 4.248 4.122 ( 0.000 0.000 4.248) 4.248 4.288 ( 0.000 0.000 -18.086) 18.086 4.288 ( 0.000 0.000 18.086) 18.086 4.644 ( 0.000 0.000 -2.693) 2.693 4.644 ( 0.000 0.000 2.693) 2.693 4.727 ( 0.000 0.000 -9.641) 9.641 4.727 ( 0.000 0.000 9.641) 9.641 5.188 ( 0.000 0.000 -14.127) 14.127 5.188 ( 0.000 0.000 14.127) 14.127 5.826 ( 0.000 0.000 -8.960) 8.960 5.826 ( 0.000 0.000 8.960) 8.960 6.045 ( 0.000 0.000 -12.580) 12.580 6.045 ( 0.000 0.000 12.580) 12.580 6.163 ( 0.000 0.000 -20.491) 20.491 6.163 ( 0.000 0.000 20.491) 20.491 6.779 ( 0.000 0.000 -24.237) 24.237 6.779 ( 0.000 0.000 24.237) 24.237 7.072 ( 0.000 0.000 -7.449) 7.449 7.072 ( 0.000 0.000 7.449) 7.449 7.274 ( 0.000 0.000 -7.115) 7.115 7.274 ( 0.000 0.000 7.115) 7.115 7.566 ( 0.000 0.000 -22.927) 22.927 7.566 ( 0.000 0.000 22.927) 22.927 7.816 ( 0.000 0.000 -24.050) 24.050 7.816 ( 0.000 0.000 24.050) 24.050 8.145 ( 0.000 0.000 -5.198) 5.198 8.145 ( 0.000 0.000 5.198) 5.198 8.682 ( 0.000 0.000 -0.491) 0.491 8.682 ( 0.000 0.000 0.491) 0.491 8.980 ( 0.000 0.000 -34.577) 34.577 8.980 ( 0.000 0.000 34.577) 34.577 9.754 ( 0.000 0.000 -2.408) 2.408 9.754 ( 0.000 0.000 2.408) 2.408 9.972 ( 0.000 0.000 -19.654) 19.654 9.972 ( 0.000 0.000 19.654) 19.654 10.252 ( 0.000 0.000 -12.767) 12.767 10.252 ( 0.000 0.000 12.767) 12.767 10.589 ( 0.000 0.000 -6.542) 6.542 10.589 ( 0.000 0.000 6.542) 6.542 10.900 ( 0.000 0.000 -15.435) 15.435 10.900 ( 0.000 0.000 15.435) 15.435 11.357 ( 0.000 0.000 -7.250) 7.250 11.357 ( 0.000 0.000 7.250) 7.250 11.905 ( 0.000 0.000 -0.970) 0.970 11.905 ( 0.000 0.000 0.970) 0.970 11.912 ( 0.000 0.000 -0.914) 0.914 11.912 ( 0.000 0.000 0.914) 0.914 12.461 ( 0.000 0.000 -7.850) 7.850 12.461 ( 0.000 0.000 7.850) 7.850 12.899 ( 0.000 0.000 -8.650) 8.650 12.899 ( 0.000 0.000 8.650) 8.650 12.939 ( 0.000 0.000 -7.705) 7.705 12.939 ( 0.000 0.000 7.705) 7.705 13.214 ( 0.000 0.000 -2.362) 2.362 13.214 ( 0.000 0.000 2.362) 2.362 13.423 ( 0.000 0.000 -19.977) 19.977 13.423 ( 0.000 0.000 19.977) 19.977 14.182 ( 0.000 0.000 -11.025) 11.025 14.182 ( 0.000 0.000 11.025) 11.025 14.985 ( 0.000 0.000 -15.048) 15.048 14.985 ( 0.000 0.000 15.048) 15.048 15.156 ( 0.000 0.000 -6.490) 6.490 15.156 ( 0.000 0.000 6.490) 6.490 15.542 ( 0.000 0.000 -12.790) 12.790 15.542 ( 0.000 0.000 12.790) 12.790 15.658 ( 0.000 0.000 -10.271) 10.271 15.658 ( 0.000 0.000 10.271) 10.271 16.590 ( 0.000 0.000 -1.160) 1.160 16.590 ( 0.000 0.000 1.160) 1.160 16.642 ( 0.000 0.000 -0.064) 0.064 16.642 ( 0.000 0.000 0.064) 0.064 17.096 ( 0.000 0.000 -3.553) 3.553 17.096 ( 0.000 0.000 3.553) 3.553 17.363 ( 0.000 0.000 -2.986) 2.986 17.363 ( 0.000 0.000 2.986) 2.986 17.626 ( 0.000 0.000 -2.900) 2.900 17.626 ( 0.000 0.000 2.900) 2.900 18.233 ( 0.000 0.000 -5.618) 5.618 18.233 ( 0.000 0.000 5.618) 5.618 19.368 ( 0.000 0.000 -3.509) 3.509 19.368 ( 0.000 0.000 3.509) 3.509 20.550 ( 0.000 0.000 -14.805) 14.805 20.550 ( 0.000 0.000 14.805) 14.805 20.884 ( 0.000 0.000 -1.176) 1.176 20.884 ( 0.000 0.000 1.176) 1.176 21.900 ( 0.000 0.000 -16.888) 16.888 21.900 ( 0.000 0.000 16.888) 16.888 23.508 ( 0.000 0.000 -28.138) 28.138 23.508 ( 0.000 0.000 28.138) 28.138 24.965 ( 0.000 0.000 -27.652) 27.652 24.965 ( 0.000 0.000 27.652) 27.652 25.755 ( 0.000 0.000 -15.015) 15.015 25.755 ( 0.000 0.000 15.015) 15.015 25.991 ( 0.000 0.000 -2.968) 2.968 25.991 ( 0.000 0.000 2.968) 2.968 26.259 ( 0.000 0.000 -12.994) 12.994 26.259 ( 0.000 0.000 12.994) 12.994 27.249 ( 0.000 0.000 -12.887) 12.887 27.249 ( 0.000 0.000 12.887) 12.887 27.356 ( 0.000 0.000 -12.878) 12.878 27.356 ( 0.000 0.000 12.878) 12.878 27.711 ( 0.000 0.000 -5.761) 5.761 27.711 ( 0.000 0.000 5.761) 5.761 27.829 ( 0.000 0.000 -0.513) 0.513 27.829 ( 0.000 0.000 0.513) 0.513 27.887 ( 0.000 0.000 -8.400) 8.400 27.887 ( 0.000 0.000 8.400) 8.400 28.292 ( 0.000 0.000 -18.261) 18.261 28.292 ( 0.000 0.000 18.261) 18.261 28.744 ( 0.000 0.000 -1.401) 1.401 28.744 ( 0.000 0.000 1.401) 1.401 28.757 ( 0.000 0.000 -8.543) 8.543 28.757 ( 0.000 0.000 8.543) 8.543 29.279 ( 0.000 0.000 -3.016) 3.016 29.279 ( 0.000 0.000 3.016) 3.016 29.321 ( 0.000 0.000 -5.592) 5.592 29.321 ( 0.000 0.000 5.592) 5.592 29.838 ( 0.000 0.000 -2.752) 2.752 29.838 ( 0.000 0.000 2.752) 2.752 29.940 ( 0.000 0.000 -1.624) 1.624 29.940 ( 0.000 0.000 1.624) 1.624 30.157 ( 0.000 0.000 -0.732) 0.732 30.157 ( 0.000 0.000 0.732) 0.732 31.695 ( 0.000 0.000 -11.125) 11.125 31.695 ( 0.000 0.000 11.125) 11.125 32.029 ( 0.000 0.000 -21.364) 21.364 32.029 ( 0.000 0.000 21.364) 21.364 32.558 ( 0.000 0.000 -10.293) 10.293 32.558 ( 0.000 0.000 10.293) 10.293 33.079 ( 0.000 0.000 -2.991) 2.991 33.079 ( 0.000 0.000 2.991) 2.991 33.305 ( 0.000 0.000 -0.437) 0.437 33.305 ( 0.000 0.000 0.437) 0.437 33.582 ( 0.000 0.000 -4.123) 4.123 33.582 ( 0.000 0.000 4.123) 4.123 33.684 ( 0.000 0.000 -9.422) 9.422 33.684 ( 0.000 0.000 9.422) 9.422 34.601 ( 0.000 0.000 -11.045) 11.045 34.601 ( 0.000 0.000 11.045) 11.045 ======================= Grid point 149 (50/64) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 8.008 0.000 -17.265) 19.032 1.918 ( 8.008 0.000 17.265) 19.032 2.195 ( 7.264 0.000 -25.496) 26.511 2.195 ( 7.264 0.000 25.496) 26.511 2.304 ( 0.404 0.000 -4.014) 4.034 2.304 ( 0.404 0.000 4.014) 4.034 2.550 ( 1.628 0.000 -5.244) 5.490 2.550 ( 1.628 0.000 5.244) 5.490 2.959 ( -6.011 0.000 -7.402) 9.536 2.959 ( -6.011 0.000 7.402) 9.536 2.966 ( 0.052 0.000 -1.844) 1.845 2.966 ( 0.052 0.000 1.844) 1.845 3.531 ( 6.074 0.000 -11.416) 12.931 3.531 ( 6.074 0.000 11.416) 12.931 3.611 ( 2.461 0.000 -6.294) 6.758 3.611 ( 2.461 0.000 6.294) 6.758 4.045 ( -6.554 0.000 -9.455) 11.504 4.045 ( -6.554 0.000 9.455) 11.504 4.396 ( 6.858 0.000 -10.954) 12.923 4.396 ( 6.858 0.000 10.954) 12.923 4.658 ( 1.481 0.000 -6.029) 6.208 4.658 ( 1.481 0.000 6.029) 6.208 4.689 ( -1.339 0.000 -5.407) 5.570 4.689 ( -1.339 0.000 5.407) 5.570 5.154 ( -3.512 0.000 -10.760) 11.319 5.154 ( -3.512 0.000 10.760) 11.319 5.763 ( -5.100 0.000 -7.336) 8.934 5.763 ( -5.100 0.000 7.336) 8.934 5.935 ( -8.966 0.000 -13.575) 16.268 5.935 ( -8.966 0.000 13.575) 16.268 6.175 ( 0.819 0.000 -19.846) 19.862 6.175 ( 0.819 0.000 19.846) 19.862 6.703 ( -7.471 0.000 -15.614) 17.309 6.703 ( -7.471 0.000 15.614) 17.309 7.043 ( -3.478 0.000 -11.884) 12.383 7.043 ( -3.478 0.000 11.884) 12.383 7.156 ( -6.367 0.000 -2.322) 6.777 7.156 ( -6.367 0.000 2.322) 6.777 7.784 ( 14.791 0.000 -17.088) 22.600 7.784 ( 14.791 0.000 17.088) 22.600 7.889 ( 7.992 0.000 -18.236) 19.911 7.889 ( 7.992 0.000 18.236) 19.911 8.080 ( -4.747 0.000 -4.693) 6.675 8.080 ( -4.747 0.000 4.693) 6.675 8.726 ( 3.228 0.000 -1.156) 3.429 8.726 ( 3.228 0.000 1.156) 3.429 9.048 ( 4.710 0.000 -23.975) 24.433 9.048 ( 4.710 0.000 23.975) 24.433 9.799 ( 4.034 0.000 -3.622) 5.421 9.799 ( 4.034 0.000 3.622) 5.421 9.950 ( -1.132 0.000 -10.634) 10.694 9.950 ( -1.132 0.000 10.634) 10.694 10.215 ( -3.447 0.000 -11.611) 12.112 10.215 ( -3.447 0.000 11.611) 12.112 10.625 ( 1.020 0.000 -17.121) 17.151 10.625 ( 1.020 0.000 17.121) 17.151 10.895 ( 2.005 0.000 -13.060) 13.213 10.895 ( 2.005 0.000 13.060) 13.213 11.374 ( 1.646 0.000 -7.984) 8.152 11.374 ( 1.646 0.000 7.984) 8.152 11.880 ( -2.221 0.000 -2.737) 3.525 11.880 ( -2.221 0.000 2.737) 3.525 11.955 ( 3.429 0.000 -4.845) 5.936 11.955 ( 3.429 0.000 4.845) 5.936 12.476 ( 1.239 0.000 -7.678) 7.778 12.476 ( 1.239 0.000 7.678) 7.778 12.853 ( -7.005 0.000 -8.927) 11.348 12.853 ( -7.005 0.000 8.927) 11.348 12.855 ( -3.846 0.000 -8.382) 9.223 12.855 ( -3.846 0.000 8.382) 9.223 13.263 ( 3.961 0.000 -4.413) 5.930 13.263 ( 3.961 0.000 4.413) 5.930 13.307 ( -10.213 0.000 -19.582) 22.086 13.307 ( -10.213 0.000 19.582) 22.086 14.082 ( -7.944 0.000 -11.593) 14.054 14.082 ( -7.944 0.000 11.593) 14.054 15.077 ( 7.943 0.000 -16.082) 17.937 15.077 ( 7.943 0.000 16.082) 17.937 15.157 ( -0.282 0.000 -5.062) 5.070 15.157 ( -0.282 0.000 5.062) 5.070 15.540 ( -0.371 0.000 -14.111) 14.116 15.540 ( -0.371 0.000 14.111) 14.116 15.615 ( -3.934 0.000 -9.730) 10.495 15.615 ( -3.934 0.000 9.730) 10.495 16.594 ( 0.604 0.000 -0.876) 1.064 16.594 ( 0.604 0.000 0.876) 1.064 16.671 ( 2.663 0.000 -2.370) 3.565 16.671 ( 2.663 0.000 2.370) 3.565 17.067 ( -2.717 0.000 -4.243) 5.038 17.067 ( -2.717 0.000 4.243) 5.038 17.322 ( -2.976 0.000 -0.626) 3.041 17.322 ( -2.976 0.000 0.626) 3.041 17.645 ( 1.712 0.000 -2.352) 2.909 17.645 ( 1.712 0.000 2.352) 2.909 18.373 ( 10.990 0.000 -2.854) 11.354 18.373 ( 10.990 0.000 2.854) 11.354 19.426 ( 5.617 0.000 -4.220) 7.026 19.426 ( 5.617 0.000 4.220) 7.026 20.539 ( -0.998 0.000 -12.513) 12.552 20.539 ( -0.998 0.000 12.513) 12.552 20.782 ( -9.387 0.000 -5.693) 10.978 20.782 ( -9.387 0.000 5.693) 10.978 21.885 ( -1.354 0.000 -14.380) 14.444 21.885 ( -1.354 0.000 14.380) 14.444 23.606 ( 9.171 0.000 -27.710) 29.188 23.606 ( 9.171 0.000 27.710) 29.188 24.868 ( -8.987 0.000 -25.806) 27.326 24.868 ( -8.987 0.000 25.806) 27.326 25.782 ( 2.555 0.000 -14.414) 14.638 25.782 ( 2.555 0.000 14.414) 14.638 26.061 ( 6.218 0.000 -1.518) 6.400 26.061 ( 6.218 0.000 1.518) 6.400 26.226 ( -3.172 0.000 -13.061) 13.440 26.226 ( -3.172 0.000 13.061) 13.440 27.211 ( -3.454 0.000 -10.605) 11.153 27.211 ( -3.454 0.000 10.605) 11.153 27.370 ( 1.650 0.000 -12.199) 12.310 27.370 ( 1.650 0.000 12.199) 12.310 27.720 ( 0.743 0.000 -4.670) 4.728 27.720 ( 0.743 0.000 4.670) 4.728 27.884 ( 4.671 0.000 -5.079) 6.900 27.884 ( 4.671 0.000 5.079) 6.900 27.893 ( 0.496 0.000 -7.207) 7.224 27.893 ( 0.496 0.000 7.207) 7.224 28.313 ( 1.977 0.000 -17.376) 17.488 28.313 ( 1.977 0.000 17.376) 17.488 28.743 ( -0.174 0.000 -1.324) 1.335 28.743 ( -0.174 0.000 1.324) 1.335 28.757 ( -0.272 0.000 -6.900) 6.905 28.757 ( -0.272 0.000 6.900) 6.905 29.253 ( -5.594 0.000 -6.250) 8.388 29.253 ( -5.594 0.000 6.250) 8.388 29.265 ( -1.213 0.000 -2.684) 2.946 29.265 ( -1.213 0.000 2.684) 2.946 29.850 ( 1.024 0.000 -2.452) 2.657 29.850 ( 1.024 0.000 2.452) 2.657 29.906 ( -2.936 0.000 -1.454) 3.276 29.906 ( -2.936 0.000 1.454) 3.276 30.154 ( -0.213 0.000 -0.662) 0.695 30.154 ( -0.213 0.000 0.662) 0.695 31.647 ( -4.603 0.000 -10.873) 11.807 31.647 ( -4.603 0.000 10.873) 11.807 32.036 ( 0.640 0.000 -19.283) 19.294 32.036 ( 0.640 0.000 19.283) 19.294 32.541 ( -1.491 0.000 -9.765) 9.879 32.541 ( -1.491 0.000 9.765) 9.879 33.054 ( -2.063 0.000 -2.680) 3.382 33.054 ( -2.063 0.000 2.680) 3.382 33.161 ( -11.263 0.000 -8.764) 14.271 33.161 ( -11.263 0.000 8.764) 14.271 33.621 ( 3.315 0.000 -3.724) 4.986 33.621 ( 3.315 0.000 3.724) 4.986 33.634 ( -1.460 0.000 -8.844) 8.964 33.634 ( -1.460 0.000 8.844) 8.964 34.840 ( 16.804 0.000 -12.299) 20.824 34.840 ( 16.804 0.000 12.299) 20.824 ======================= Grid point 151 (51/64) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 8.612 0.000 -8.221) 11.906 2.111 ( 8.612 0.000 8.221) 11.906 2.320 ( 1.995 0.000 -4.399) 4.830 2.320 ( 1.995 0.000 4.399) 4.830 2.395 ( 11.580 0.000 -17.451) 20.944 2.395 ( 11.580 0.000 17.451) 20.944 2.608 ( 3.728 0.000 -1.710) 4.101 2.608 ( 3.728 0.000 1.710) 4.101 2.814 ( -8.041 0.000 -6.992) 10.656 2.814 ( -8.041 0.000 6.992) 10.656 2.964 ( -0.309 0.000 -1.395) 1.429 2.964 ( -0.309 0.000 1.395) 1.429 3.597 ( -5.248 0.000 -7.111) 8.838 3.597 ( -5.248 0.000 7.111) 8.838 3.704 ( 11.144 0.000 -12.899) 17.046 3.704 ( 11.144 0.000 12.899) 17.046 3.932 ( -2.688 0.000 -14.164) 14.416 3.932 ( -2.688 0.000 14.164) 14.416 4.310 ( -13.629 0.000 -13.452) 19.149 4.310 ( -13.629 0.000 13.452) 19.149 4.711 ( 3.719 0.000 -7.593) 8.455 4.711 ( 3.719 0.000 7.593) 8.455 4.854 ( 14.005 0.000 -11.874) 18.361 4.854 ( 14.005 0.000 11.874) 18.361 5.045 ( -6.602 0.000 -3.552) 7.496 5.045 ( -6.602 0.000 3.552) 7.496 5.670 ( -3.259 0.000 -3.021) 4.444 5.670 ( -3.259 0.000 3.021) 4.444 5.766 ( -6.384 0.000 -11.141) 12.841 5.766 ( -6.384 0.000 11.141) 12.841 6.191 ( 0.738 0.000 -12.326) 12.348 6.191 ( 0.738 0.000 12.326) 12.348 6.475 ( -13.161 0.000 -5.518) 14.271 6.475 ( -13.161 0.000 5.518) 14.271 6.981 ( -1.678 0.000 -18.384) 18.461 6.981 ( -1.678 0.000 18.384) 18.461 7.063 ( -3.073 0.000 -0.900) 3.202 7.063 ( -3.073 0.000 0.900) 3.202 7.932 ( -2.265 0.000 -2.304) 3.231 7.932 ( -2.265 0.000 2.304) 3.231 8.099 ( 10.438 0.000 -14.461) 17.834 8.099 ( 10.438 0.000 14.461) 17.834 8.122 ( 10.249 0.000 -11.108) 15.114 8.122 ( 10.249 0.000 11.108) 15.114 8.771 ( 0.782 0.000 -2.434) 2.556 8.771 ( 0.782 0.000 2.434) 2.556 9.093 ( -0.780 0.000 -9.181) 9.214 9.093 ( -0.780 0.000 9.181) 9.214 9.901 ( 5.577 0.000 -4.917) 7.435 9.901 ( 5.577 0.000 4.917) 7.435 9.969 ( 3.101 0.000 -4.987) 5.873 9.969 ( 3.101 0.000 4.987) 5.873 10.127 ( -4.912 0.000 -8.503) 9.820 10.127 ( -4.912 0.000 8.503) 9.820 10.561 ( -5.668 0.000 -20.526) 21.295 10.561 ( -5.668 0.000 20.526) 21.295 11.038 ( 9.709 0.000 -4.675) 10.776 11.038 ( 9.709 0.000 4.675) 10.776 11.420 ( 2.618 0.000 -7.108) 7.575 11.420 ( 2.618 0.000 7.108) 7.575 11.828 ( -2.494 0.000 -4.643) 5.270 11.828 ( -2.494 0.000 4.643) 5.270 12.002 ( 0.199 0.000 -5.557) 5.560 12.002 ( 0.199 0.000 5.557) 5.560 12.501 ( 1.087 0.000 -5.539) 5.644 12.501 ( 1.087 0.000 5.539) 5.644 12.710 ( -5.975 0.000 -7.222) 9.373 12.710 ( -5.975 0.000 7.222) 9.373 12.791 ( -0.811 0.000 -10.208) 10.240 12.791 ( -0.811 0.000 10.208) 10.240 13.069 ( -11.886 0.000 -17.754) 21.365 13.069 ( -11.886 0.000 17.754) 21.365 13.347 ( 3.748 0.000 -4.297) 5.702 13.347 ( 3.748 0.000 4.297) 5.702 13.930 ( -6.037 0.000 -8.475) 10.405 13.930 ( -6.037 0.000 8.475) 10.405 15.145 ( -0.492 0.000 -2.606) 2.652 15.145 ( -0.492 0.000 2.606) 2.652 15.252 ( 8.065 0.000 -16.155) 18.056 15.252 ( 8.065 0.000 16.155) 18.056 15.521 ( -1.583 0.000 -15.133) 15.216 15.521 ( -1.583 0.000 15.133) 15.216 15.523 ( -4.320 0.000 -7.003) 8.229 15.523 ( -4.320 0.000 7.003) 8.229 16.614 ( 1.112 0.000 -0.357) 1.168 16.614 ( 1.112 0.000 0.357) 1.168 16.742 ( 4.037 0.000 -3.827) 5.563 16.742 ( 4.037 0.000 3.827) 5.563 16.994 ( -4.181 0.000 -4.805) 6.369 16.994 ( -4.181 0.000 4.805) 6.369 17.272 ( -1.769 0.000 -0.747) 1.920 17.272 ( -1.769 0.000 0.747) 1.920 17.684 ( 1.763 0.000 -1.259) 2.166 17.684 ( 1.763 0.000 1.259) 2.166 18.573 ( 7.284 0.000 -1.761) 7.494 18.573 ( 7.284 0.000 1.761) 7.494 19.578 ( 8.334 0.000 -4.500) 9.471 19.578 ( 8.334 0.000 4.500) 9.471 20.516 ( -1.049 0.000 -6.938) 7.017 20.516 ( -1.049 0.000 6.938) 7.017 20.550 ( -11.707 0.000 -6.566) 13.423 20.550 ( -11.707 0.000 6.566) 13.423 21.856 ( -1.242 0.000 -8.084) 8.179 21.856 ( -1.242 0.000 8.084) 8.179 23.844 ( 13.029 0.000 -24.334) 27.603 23.844 ( 13.029 0.000 24.334) 27.603 24.636 ( -12.724 0.000 -22.053) 25.460 24.636 ( -12.724 0.000 22.053) 25.460 25.851 ( 3.840 0.000 -12.344) 12.927 25.851 ( 3.840 0.000 12.344) 12.927 26.140 ( -4.741 0.000 -12.023) 12.924 26.140 ( -4.741 0.000 12.023) 12.924 26.203 ( 6.549 0.000 -0.572) 6.574 26.203 ( 6.549 0.000 0.572) 6.574 27.129 ( -3.964 0.000 -5.836) 7.055 27.129 ( -3.964 0.000 5.836) 7.055 27.422 ( 2.932 0.000 -8.651) 9.134 27.422 ( 2.932 0.000 8.651) 9.134 27.733 ( 0.442 0.000 -2.443) 2.482 27.733 ( 0.442 0.000 2.443) 2.482 27.904 ( 0.544 0.000 -4.009) 4.046 27.904 ( 0.544 0.000 4.009) 4.046 27.981 ( 4.020 0.000 -9.000) 9.858 27.981 ( 4.020 0.000 9.000) 9.858 28.366 ( 3.138 0.000 -14.441) 14.778 28.366 ( 3.138 0.000 14.441) 14.778 28.722 ( -3.546 0.000 -0.661) 3.607 28.722 ( -3.546 0.000 0.661) 3.607 28.738 ( -0.220 0.000 -0.876) 0.904 28.738 ( -0.220 0.000 0.876) 0.904 29.158 ( -2.560 0.000 -5.004) 5.621 29.158 ( -2.560 0.000 5.004) 5.621 29.239 ( -1.133 0.000 -1.633) 1.988 29.239 ( -1.133 0.000 1.633) 1.988 29.842 ( -2.864 0.000 -1.866) 3.418 29.842 ( -2.864 0.000 1.866) 3.418 29.872 ( 0.963 0.000 -1.498) 1.781 29.872 ( 0.963 0.000 1.498) 1.781 30.150 ( -0.218 0.000 -0.421) 0.474 30.150 ( -0.218 0.000 0.421) 0.474 31.532 ( -5.613 0.000 -7.580) 9.432 31.532 ( -5.613 0.000 7.580) 9.432 32.052 ( 0.823 0.000 -12.289) 12.317 32.052 ( 0.823 0.000 12.289) 12.317 32.506 ( -1.690 0.000 -6.877) 7.082 32.506 ( -1.690 0.000 6.877) 7.082 32.976 ( -5.868 0.000 -5.693) 8.176 32.976 ( -5.868 0.000 5.693) 8.176 33.013 ( -1.598 0.000 -1.616) 2.272 33.013 ( -1.598 0.000 1.616) 2.272 33.636 ( 0.901 0.000 -4.328) 4.421 33.636 ( 0.901 0.000 4.328) 4.421 33.689 ( 2.875 0.000 -2.270) 3.663 33.689 ( 2.875 0.000 2.270) 3.663 35.116 ( 9.179 0.000 -8.462) 12.484 35.116 ( 9.179 0.000 8.462) 12.484 ======================= Grid point 153 (52/64) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 0.000 0.000 0.000) 0.000 2.190 ( 0.000 0.000 0.000) 0.000 2.369 ( -0.000 0.000 -0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.626 ( 0.000 0.000 -0.000) 0.000 2.626 ( 0.000 0.000 0.000) 0.000 2.628 ( -0.000 0.000 -0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.958 ( 0.000 0.000 -0.000) 0.000 2.958 ( 0.000 0.000 0.000) 0.000 3.501 ( 0.000 0.000 -0.000) 0.000 3.501 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 3.962 ( -0.000 0.000 -0.000) 0.000 3.962 ( -0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 -0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.774 ( -0.000 0.000 -0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 5.638 ( 0.000 0.000 -0.000) 0.000 5.638 ( 0.000 0.000 0.000) 0.000 5.697 ( 0.000 0.000 0.000) 0.000 5.697 ( 0.000 0.000 0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.308 ( 0.000 0.000 0.000) 0.000 6.967 ( 0.000 0.000 0.000) 0.000 6.967 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.249 ( -0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 0.000) 0.000 8.771 ( 0.000 0.000 0.000) 0.000 8.771 ( 0.000 0.000 0.000) 0.000 9.067 ( 0.000 0.000 -0.000) 0.000 9.067 ( 0.000 0.000 0.000) 0.000 9.999 ( 0.000 0.000 -0.000) 0.000 9.999 ( 0.000 0.000 0.000) 0.000 10.020 ( 0.000 0.000 0.000) 0.000 10.020 ( 0.000 0.000 0.000) 0.000 10.036 ( -0.000 0.000 -0.000) 0.000 10.036 ( -0.000 0.000 0.000) 0.000 10.485 ( -0.000 0.000 -0.000) 0.000 10.485 ( 0.000 0.000 0.000) 0.000 11.163 ( 0.000 0.000 0.000) 0.000 11.163 ( 0.000 0.000 0.000) 0.000 11.454 ( 0.000 0.000 0.000) 0.000 11.454 ( 0.000 0.000 0.000) 0.000 11.798 ( 0.000 0.000 -0.000) 0.000 11.798 ( 0.000 0.000 0.000) 0.000 11.986 ( 0.000 0.000 0.000) 0.000 11.986 ( 0.000 0.000 0.000) 0.000 12.514 ( 0.000 0.000 0.000) 0.000 12.514 ( 0.000 0.000 0.000) 0.000 12.644 ( 0.000 0.000 0.000) 0.000 12.644 ( 0.000 0.000 0.000) 0.000 12.848 ( 0.000 0.000 -0.000) 0.000 12.848 ( 0.000 0.000 0.000) 0.000 12.877 ( -0.000 0.000 -0.000) 0.000 12.877 ( 0.000 0.000 0.000) 0.000 13.391 ( 0.000 0.000 0.000) 0.000 13.391 ( 0.000 0.000 0.000) 0.000 13.864 ( 0.000 0.000 0.000) 0.000 13.864 ( 0.000 0.000 0.000) 0.000 15.142 ( 0.000 0.000 0.000) 0.000 15.142 ( 0.000 0.000 0.000) 0.000 15.353 ( 0.000 0.000 -0.000) 0.000 15.353 ( 0.000 0.000 0.000) 0.000 15.472 ( 0.000 0.000 0.000) 0.000 15.472 ( 0.000 0.000 0.000) 0.000 15.491 ( 0.000 0.000 0.000) 0.000 15.491 ( -0.000 0.000 0.000) 0.000 16.628 ( 0.000 0.000 0.000) 0.000 16.628 ( 0.000 0.000 0.000) 0.000 16.801 ( 0.000 0.000 0.000) 0.000 16.801 ( 0.000 0.000 0.000) 0.000 16.933 ( -0.000 0.000 -0.000) 0.000 16.933 ( 0.000 0.000 0.000) 0.000 17.253 ( 0.000 0.000 -0.000) 0.000 17.253 ( 0.000 0.000 0.000) 0.000 17.704 ( 0.000 0.000 0.000) 0.000 17.704 ( 0.000 0.000 0.000) 0.000 18.648 ( 0.000 0.000 0.000) 0.000 18.648 ( 0.000 0.000 0.000) 0.000 19.687 ( 0.000 0.000 0.000) 0.000 19.687 ( 0.000 0.000 0.000) 0.000 20.404 ( -0.000 0.000 0.000) 0.000 20.404 ( 0.000 0.000 0.000) 0.000 20.504 ( 0.000 0.000 0.000) 0.000 20.504 ( 0.000 0.000 0.000) 0.000 21.842 ( 0.000 0.000 0.000) 0.000 21.842 ( 0.000 0.000 0.000) 0.000 24.029 ( 0.000 0.000 -0.000) 0.000 24.029 ( 0.000 0.000 0.000) 0.000 24.454 ( 0.000 0.000 -0.000) 0.000 24.454 ( 0.000 0.000 0.000) 0.000 25.906 ( 0.000 0.000 0.000) 0.000 25.906 ( 0.000 0.000 0.000) 0.000 26.075 ( 0.000 0.000 -0.000) 0.000 26.075 ( 0.000 0.000 0.000) 0.000 26.279 ( 0.000 0.000 0.000) 0.000 26.279 ( 0.000 0.000 0.000) 0.000 27.082 ( 0.000 0.000 0.000) 0.000 27.082 ( 0.000 0.000 0.000) 0.000 27.458 ( 0.000 0.000 0.000) 0.000 27.458 ( 0.000 0.000 0.000) 0.000 27.737 ( 0.000 0.000 -0.000) 0.000 27.737 ( 0.000 0.000 0.000) 0.000 27.911 ( 0.000 0.000 -0.000) 0.000 27.911 ( 0.000 0.000 0.000) 0.000 28.024 ( 0.000 0.000 -0.000) 0.000 28.024 ( 0.000 0.000 0.000) 0.000 28.415 ( 0.000 0.000 -0.000) 0.000 28.415 ( 0.000 0.000 0.000) 0.000 28.661 ( 0.000 0.000 0.000) 0.000 28.661 ( 0.000 0.000 0.000) 0.000 28.736 ( 0.000 0.000 0.000) 0.000 28.736 ( 0.000 0.000 0.000) 0.000 29.141 ( 0.000 0.000 0.000) 0.000 29.141 ( 0.000 0.000 0.000) 0.000 29.226 ( 0.000 0.000 0.000) 0.000 29.226 ( 0.000 0.000 0.000) 0.000 29.809 ( 0.000 0.000 0.000) 0.000 29.809 ( 0.000 0.000 0.000) 0.000 29.883 ( 0.000 0.000 0.000) 0.000 29.883 ( 0.000 0.000 0.000) 0.000 30.147 ( 0.000 0.000 0.000) 0.000 30.147 ( 0.000 0.000 0.000) 0.000 31.467 ( 0.000 0.000 0.000) 0.000 31.467 ( 0.000 0.000 0.000) 0.000 32.062 ( 0.000 0.000 -0.000) 0.000 32.062 ( 0.000 0.000 0.000) 0.000 32.486 ( 0.000 0.000 0.000) 0.000 32.486 ( 0.000 0.000 0.000) 0.000 32.919 ( 0.000 0.000 0.000) 0.000 32.919 ( 0.000 0.000 0.000) 0.000 32.996 ( 0.000 0.000 0.000) 0.000 32.996 ( 0.000 0.000 0.000) 0.000 33.648 ( 0.000 0.000 0.000) 0.000 33.648 ( 0.000 0.000 0.000) 0.000 33.721 ( 0.000 0.000 0.000) 0.000 33.721 ( 0.000 0.000 0.000) 0.000 35.208 ( 0.000 0.000 0.000) 0.000 35.208 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 161 (53/64) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 0.000 5.014 -15.058) 15.871 1.894 ( 0.000 5.014 15.058) 15.871 2.020 ( 0.000 -4.843 -14.571) 15.354 2.020 ( 0.000 -4.843 14.571) 15.354 2.380 ( 0.000 3.723 -5.007) 6.239 2.380 ( 0.000 3.723 5.007) 6.239 2.600 ( 0.000 5.618 -8.048) 9.815 2.600 ( 0.000 5.618 8.048) 9.815 2.826 ( 0.000 -9.333 -1.825) 9.510 2.826 ( 0.000 -9.333 1.825) 9.510 3.047 ( 0.000 -1.611 -2.612) 3.069 3.047 ( 0.000 -1.611 2.612) 3.069 3.420 ( 0.000 -3.911 -7.877) 8.794 3.420 ( 0.000 -3.911 7.877) 8.794 3.738 ( 0.000 15.614 -11.126) 19.172 3.738 ( 0.000 15.614 11.126) 19.172 3.998 ( 0.000 -7.982 -0.037) 7.982 3.998 ( 0.000 -7.982 0.037) 7.982 4.228 ( 0.000 -3.475 -13.088) 13.542 4.228 ( 0.000 -3.475 13.088) 13.542 4.794 ( 0.000 9.601 -3.765) 10.313 4.794 ( 0.000 9.601 3.765) 10.313 4.872 ( 0.000 7.860 -5.307) 9.484 4.872 ( 0.000 7.860 5.307) 9.484 5.155 ( 0.000 -5.136 -12.791) 13.784 5.155 ( 0.000 -5.136 12.791) 13.784 5.587 ( 0.000 -24.271 -1.050) 24.293 5.587 ( 0.000 -24.271 1.050) 24.293 5.859 ( 0.000 -1.616 -13.890) 13.984 5.859 ( 0.000 -1.616 13.890) 13.984 6.059 ( 0.000 -14.004 -3.732) 14.493 6.059 ( 0.000 -14.004 3.732) 14.493 6.667 ( 0.000 -17.321 -11.266) 20.662 6.667 ( 0.000 -17.321 11.266) 20.662 6.992 ( 0.000 5.208 -4.600) 6.948 6.992 ( 0.000 5.208 4.600) 6.948 7.159 ( 0.000 -5.764 -1.960) 6.088 7.159 ( 0.000 -5.764 1.960) 6.088 7.563 ( 0.000 -2.625 -14.871) 15.101 7.563 ( 0.000 -2.625 14.871) 15.101 7.880 ( 0.000 -0.022 -12.046) 12.046 7.880 ( 0.000 -0.022 12.046) 12.046 8.368 ( 0.000 6.159 -12.355) 13.805 8.368 ( 0.000 6.159 12.355) 13.805 8.682 ( 0.000 9.891 -2.554) 10.215 8.682 ( 0.000 9.891 2.554) 10.215 8.941 ( 0.000 -10.309 -23.026) 25.229 8.941 ( 0.000 -10.309 23.026) 25.229 9.422 ( 0.000 -21.890 -11.244) 24.609 9.422 ( 0.000 -21.890 11.244) 24.609 9.919 ( 0.000 9.385 -2.499) 9.711 9.919 ( 0.000 9.385 2.499) 9.711 10.286 ( 0.000 -0.011 -8.164) 8.164 10.286 ( 0.000 -0.011 8.164) 8.164 10.744 ( 0.000 7.097 -5.887) 9.221 10.744 ( 0.000 7.097 5.887) 9.221 10.963 ( 0.000 -0.328 -8.147) 8.153 10.963 ( 0.000 -0.328 8.147) 8.153 11.463 ( 0.000 4.541 -0.793) 4.610 11.463 ( 0.000 4.541 0.793) 4.610 11.637 ( 0.000 -7.355 -7.236) 10.318 11.637 ( 0.000 -7.355 7.236) 10.318 12.116 ( 0.000 8.469 -2.647) 8.873 12.116 ( 0.000 8.469 2.647) 8.873 12.491 ( 0.000 -2.914 -4.081) 5.014 12.491 ( 0.000 -2.914 4.081) 5.014 12.742 ( 0.000 0.647 -5.271) 5.311 12.742 ( 0.000 0.647 5.271) 5.311 13.009 ( 0.000 0.321 -6.823) 6.831 13.009 ( 0.000 0.321 6.823) 6.831 13.477 ( 0.000 22.381 -15.367) 27.148 13.477 ( 0.000 22.381 15.367) 27.148 13.570 ( 0.000 8.378 -14.467) 16.718 13.570 ( 0.000 8.378 14.467) 16.718 14.207 ( 0.000 4.949 -10.248) 11.381 14.207 ( 0.000 4.949 10.248) 11.381 15.056 ( 0.000 6.470 -12.425) 14.009 15.056 ( 0.000 6.470 12.425) 14.009 15.081 ( 0.000 -6.681 -5.319) 8.540 15.081 ( 0.000 -6.681 5.319) 8.540 15.505 ( 0.000 -4.897 -0.384) 4.912 15.505 ( 0.000 -4.897 0.384) 4.912 15.640 ( 0.000 -1.093 -0.326) 1.141 15.640 ( 0.000 -1.093 0.326) 1.141 16.544 ( 0.000 -2.437 -2.232) 3.305 16.544 ( 0.000 -2.437 2.232) 3.305 16.661 ( 0.000 0.946 -0.021) 0.946 16.661 ( 0.000 0.946 0.021) 0.946 17.181 ( 0.000 2.110 -2.060) 2.949 17.181 ( 0.000 2.110 2.060) 2.949 17.214 ( 0.000 -8.330 -2.033) 8.574 17.214 ( 0.000 -8.330 2.033) 8.574 17.528 ( 0.000 -7.877 -3.755) 8.727 17.528 ( 0.000 -7.877 3.755) 8.727 18.111 ( 0.000 -10.883 -2.210) 11.105 18.111 ( 0.000 -10.883 2.210) 11.105 19.459 ( 0.000 7.485 -6.133) 9.677 19.459 ( 0.000 7.485 6.133) 9.677 20.594 ( 0.000 3.556 -10.971) 11.533 20.594 ( 0.000 3.556 10.971) 11.533 21.013 ( 0.000 9.960 -1.513) 10.074 21.013 ( 0.000 9.960 1.513) 10.074 21.757 ( 0.000 -9.759 -13.525) 16.678 21.757 ( 0.000 -9.759 13.525) 16.678 23.802 ( 0.000 24.624 -22.672) 33.472 23.802 ( 0.000 24.624 22.672) 33.472 24.819 ( 0.000 -12.173 -21.295) 24.529 24.819 ( 0.000 -12.173 21.295) 24.529 25.804 ( 0.000 3.348 -7.841) 8.526 25.804 ( 0.000 3.348 7.841) 8.526 26.050 ( 0.000 2.602 -2.710) 3.757 26.050 ( 0.000 2.602 2.710) 3.757 26.203 ( 0.000 -2.609 -10.656) 10.971 26.203 ( 0.000 -2.609 10.656) 10.971 27.244 ( 0.000 -3.106 -3.845) 4.943 27.244 ( 0.000 -3.106 3.845) 4.943 27.338 ( 0.000 1.827 -6.100) 6.367 27.338 ( 0.000 1.827 6.100) 6.367 27.796 ( 0.000 -2.640 -0.704) 2.732 27.796 ( 0.000 -2.640 0.704) 2.732 27.819 ( 0.000 9.159 -4.367) 10.147 27.819 ( 0.000 9.159 4.367) 10.147 27.889 ( 0.000 -0.180 -4.628) 4.631 27.889 ( 0.000 -0.180 4.628) 4.631 28.270 ( 0.000 -1.902 -16.501) 16.611 28.270 ( 0.000 -1.902 16.501) 16.611 28.710 ( 0.000 -3.261 -0.741) 3.344 28.710 ( 0.000 -3.261 0.741) 3.344 28.727 ( 0.000 -2.688 -7.032) 7.528 28.727 ( 0.000 -2.688 7.032) 7.528 29.141 ( 0.000 -8.549 -3.435) 9.213 29.141 ( 0.000 -8.549 3.435) 9.213 29.365 ( 0.000 1.847 -4.462) 4.829 29.365 ( 0.000 1.847 4.462) 4.829 29.856 ( 0.000 -2.911 -1.719) 3.380 29.856 ( 0.000 -2.911 1.719) 3.380 29.900 ( 0.000 -0.280 -0.308) 0.416 29.900 ( 0.000 -0.280 0.308) 0.416 30.213 ( 0.000 3.120 -2.600) 4.061 30.213 ( 0.000 3.120 2.600) 4.061 31.646 ( 0.000 -0.369 -3.450) 3.470 31.646 ( 0.000 -0.369 3.450) 3.470 32.162 ( 0.000 10.293 -18.021) 20.753 32.162 ( 0.000 10.293 18.021) 20.753 32.545 ( 0.000 -1.188 -9.225) 9.302 32.545 ( 0.000 -1.188 9.225) 9.302 33.041 ( 0.000 -3.787 -5.253) 6.476 33.041 ( 0.000 -3.787 5.253) 6.476 33.215 ( 0.000 -6.457 -0.367) 6.468 33.215 ( 0.000 -6.457 0.367) 6.468 33.628 ( 0.000 -2.510 -5.430) 5.983 33.628 ( 0.000 -2.510 5.430) 5.983 33.710 ( 0.000 6.267 -7.624) 9.869 33.710 ( 0.000 6.267 7.624) 9.869 34.570 ( 0.000 -2.257 -10.377) 10.620 34.570 ( 0.000 -2.257 10.377) 10.620 ======================= Grid point 163 (54/64) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 6.039 4.860 -15.111) 16.984 1.972 ( 6.039 4.860 15.111) 16.984 2.037 ( 2.844 -7.916 -13.917) 16.261 2.037 ( 2.844 -7.916 13.917) 16.261 2.413 ( 2.797 2.615 -5.286) 6.527 2.413 ( 2.797 2.615 5.286) 6.527 2.598 ( 0.063 4.788 -6.559) 8.121 2.598 ( 0.063 4.788 6.559) 8.121 2.801 ( -1.968 -8.747 -3.635) 9.675 2.801 ( -1.968 -8.747 3.635) 9.675 3.003 ( -3.913 -2.141 -1.100) 4.594 3.003 ( -3.913 -2.141 1.100) 4.594 3.451 ( 3.086 -5.400 -10.469) 12.177 3.451 ( 3.086 -5.400 10.469) 12.177 3.740 ( -0.693 8.753 -4.132) 9.704 3.740 ( -0.693 8.753 4.132) 9.704 3.991 ( 0.375 0.015 -8.357) 8.365 3.991 ( 0.375 0.015 8.357) 8.365 4.356 ( 10.233 -4.790 -11.464) 16.096 4.356 ( 10.233 -4.790 11.464) 16.096 4.660 ( -10.932 4.720 -2.655) 12.200 4.660 ( -10.932 4.720 2.655) 12.200 4.874 ( -0.360 5.896 -3.270) 6.752 4.874 ( -0.360 5.896 3.270) 6.752 5.157 ( 0.014 0.630 -6.440) 6.471 5.157 ( 0.014 0.630 6.440) 6.471 5.573 ( -0.981 -19.925 -2.751) 20.138 5.573 ( -0.981 -19.925 2.751) 20.138 5.794 ( -5.380 -0.862 -10.679) 11.989 5.794 ( -5.380 -0.862 10.679) 11.989 6.042 ( -1.565 -12.610 -7.875) 14.949 6.042 ( -1.565 -12.610 7.875) 14.949 6.734 ( 3.539 -9.708 -19.513) 22.080 6.734 ( 3.539 -9.708 19.513) 22.080 6.919 ( -7.180 2.890 -12.820) 14.975 6.919 ( -7.180 2.890 12.820) 14.975 7.159 ( 4.286 -10.400 -8.140) 13.885 7.159 ( 4.286 -10.400 8.140) 13.885 7.532 ( -4.994 -4.183 -21.366) 22.337 7.532 ( -4.994 -4.183 21.366) 22.337 7.959 ( 6.969 1.219 -7.326) 10.184 7.959 ( 6.969 1.219 7.326) 10.184 8.339 ( -0.663 6.718 -5.210) 8.527 8.339 ( -0.663 6.718 5.210) 8.527 8.691 ( -0.622 1.467 -5.695) 5.914 8.691 ( -0.622 1.467 5.695) 5.914 8.914 ( -2.631 -13.657 -6.900) 15.526 8.914 ( -2.631 -13.657 6.900) 15.526 9.537 ( 10.077 -14.400 -8.200) 19.394 9.537 ( 10.077 -14.400 8.200) 19.394 9.952 ( 2.684 10.253 -1.541) 10.710 9.952 ( 2.684 10.253 1.541) 10.710 10.243 ( -2.969 0.077 -7.886) 8.426 10.243 ( -2.969 0.077 7.886) 8.426 10.748 ( -1.699 4.390 -16.348) 17.012 10.748 ( -1.699 4.390 16.348) 17.012 11.013 ( 6.246 3.556 -5.234) 8.891 11.013 ( 6.246 3.556 5.234) 8.891 11.464 ( -0.174 6.898 -6.162) 9.251 11.464 ( -0.174 6.898 6.162) 9.251 11.650 ( 1.647 -10.818 -3.052) 11.361 11.650 ( 1.647 -10.818 3.052) 11.361 12.105 ( -1.722 6.141 -9.798) 11.691 12.105 ( -1.722 6.141 9.798) 11.691 12.510 ( 1.704 -2.288 -5.158) 5.895 12.510 ( 1.704 -2.288 5.158) 5.895 12.719 ( -1.160 3.848 -5.537) 6.842 12.719 ( -1.160 3.848 5.537) 6.842 12.971 ( -4.139 1.150 -5.573) 7.037 12.971 ( -4.139 1.150 5.573) 7.037 13.422 ( -6.784 22.394 -3.221) 23.619 13.422 ( -6.784 22.394 3.221) 23.619 13.528 ( -1.599 8.634 -5.701) 10.469 13.528 ( -1.599 8.634 5.701) 10.469 14.095 ( -8.987 4.232 -10.907) 14.753 14.095 ( -8.987 4.232 10.907) 14.753 15.069 ( -0.850 -7.528 -4.422) 8.772 15.069 ( -0.850 -7.528 4.422) 8.772 15.144 ( 7.079 5.645 -14.006) 16.678 15.144 ( 7.079 5.645 14.006) 16.678 15.499 ( -0.856 -5.166 -2.701) 5.892 15.499 ( -0.856 -5.166 2.701) 5.892 15.606 ( -2.894 -0.146 -4.498) 5.350 15.606 ( -2.894 -0.146 4.498) 5.350 16.560 ( 1.633 -1.622 -1.653) 2.833 16.560 ( 1.633 -1.622 1.653) 2.833 16.697 ( 3.320 1.537 -1.442) 3.932 16.697 ( 3.320 1.537 1.442) 3.932 17.113 ( -4.573 -1.233 -2.968) 5.589 17.113 ( -4.573 -1.233 2.968) 5.589 17.230 ( -0.102 -3.528 -2.024) 4.069 17.230 ( -0.102 -3.528 2.024) 4.069 17.547 ( 1.693 -7.979 -3.247) 8.779 17.547 ( 1.693 -7.979 3.247) 8.779 18.206 ( 7.639 -13.903 -0.639) 15.876 18.206 ( 7.639 -13.903 0.639) 15.876 19.534 ( 7.194 8.254 -6.644) 12.807 19.534 ( 7.194 8.254 6.644) 12.807 20.580 ( -1.396 3.214 -8.264) 8.977 20.580 ( -1.396 3.214 8.264) 8.977 20.921 ( -8.465 11.427 -4.543) 14.929 20.921 ( -8.465 11.427 4.543) 14.929 21.746 ( -0.928 -9.970 -11.643) 15.357 21.746 ( -0.928 -9.970 11.643) 15.357 23.870 ( 6.455 22.252 -22.824) 32.523 23.870 ( 6.455 22.252 22.824) 32.523 24.761 ( -5.619 -9.477 -20.535) 23.304 24.761 ( -5.619 -9.477 20.535) 23.304 25.814 ( 1.045 2.809 -8.823) 9.318 25.814 ( 1.045 2.809 8.823) 9.318 26.027 ( -1.909 -4.989 -6.927) 8.748 26.027 ( -1.909 -4.989 6.927) 8.748 26.268 ( 5.656 5.459 -5.466) 9.574 26.268 ( 5.656 5.459 5.466) 9.574 27.210 ( -2.766 -1.420 -1.736) 3.561 27.210 ( -2.766 -1.420 1.736) 3.561 27.363 ( 2.181 1.105 -1.096) 2.679 27.363 ( 2.181 1.105 1.096) 2.679 27.744 ( -2.116 0.303 -2.320) 3.154 27.744 ( -2.116 0.303 2.320) 3.154 27.888 ( 1.360 0.736 -5.159) 5.386 27.888 ( 1.360 0.736 5.159) 5.386 27.915 ( 4.413 3.163 -1.941) 5.766 27.915 ( 4.413 3.163 1.941) 5.766 28.282 ( 1.255 -2.604 -16.158) 16.415 28.282 ( 1.255 -2.604 16.158) 16.415 28.682 ( -2.188 -4.459 -0.612) 5.004 28.682 ( -2.188 -4.459 0.612) 5.004 28.752 ( 1.715 -1.645 -5.256) 5.768 28.752 ( 1.715 -1.645 5.256) 5.768 29.109 ( -2.884 -8.134 -3.455) 9.297 29.109 ( -2.884 -8.134 3.455) 9.297 29.332 ( -2.623 2.497 -3.797) 5.247 29.332 ( -2.623 2.497 3.797) 5.247 29.829 ( -3.003 -6.291 -2.078) 7.274 29.829 ( -3.003 -6.291 2.078) 7.274 29.898 ( 0.611 3.175 -2.315) 3.977 29.898 ( 0.611 3.175 2.315) 3.977 30.205 ( -0.709 2.830 -2.521) 3.856 30.205 ( -0.709 2.830 2.521) 3.856 31.635 ( -1.243 1.817 -4.072) 4.629 31.635 ( -1.243 1.817 4.072) 4.629 32.156 ( -0.638 9.766 -16.500) 19.185 32.156 ( -0.638 9.766 16.500) 19.185 32.537 ( -0.816 -0.511 -8.839) 8.892 32.537 ( -0.816 -0.511 8.839) 8.892 33.013 ( -2.907 -3.970 -3.517) 6.048 33.013 ( -2.907 -3.970 3.517) 6.048 33.087 ( -8.979 -6.311 -8.438) 13.844 33.087 ( -8.979 -6.311 8.438) 13.844 33.523 ( -6.853 -4.756 -7.459) 11.190 33.523 ( -6.853 -4.756 7.459) 11.190 33.801 ( 7.130 9.903 -4.929) 13.161 33.801 ( 7.130 9.903 4.929) 13.161 34.771 ( 14.569 -5.950 -10.576) 18.961 34.771 ( 14.569 -5.950 10.576) 18.961 ======================= Grid point 165 (55/64) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 4.817 -9.394 -1.378) 10.646 2.074 ( 4.817 -9.394 1.378) 10.646 2.161 ( 7.424 -1.200 -5.900) 9.559 2.161 ( 7.424 -1.200 5.900) 9.559 2.454 ( -0.743 -3.589 -4.311) 5.658 2.454 ( -0.743 -3.589 4.311) 5.658 2.607 ( 0.812 0.102 -3.864) 3.950 2.607 ( 0.812 0.102 3.864) 3.950 2.770 ( -0.561 -2.162 -5.477) 5.915 2.770 ( -0.561 -2.162 5.477) 5.915 2.919 ( -3.584 -5.556 -0.592) 6.638 2.919 ( -3.584 -5.556 0.592) 6.638 3.524 ( 3.369 -4.901 -11.359) 12.822 3.524 ( 3.369 -4.901 11.359) 12.822 3.734 ( 1.982 4.966 -9.086) 10.543 3.734 ( 1.982 4.966 9.086) 10.543 4.012 ( 1.161 6.957 -9.351) 11.713 4.012 ( 1.161 6.957 9.351) 11.713 4.352 ( -14.482 -0.925 -8.469) 16.802 4.352 ( -14.482 -0.925 8.469) 16.802 4.599 ( 7.990 -3.636 -1.996) 9.003 4.599 ( 7.990 -3.636 1.996) 9.003 4.844 ( -2.913 -0.593 -6.959) 7.567 4.844 ( -2.913 -0.593 6.959) 7.567 5.191 ( 4.372 7.587 -1.078) 8.823 5.191 ( 4.372 7.587 1.078) 8.823 5.559 ( -0.319 -13.339 -2.321) 13.543 5.559 ( -0.319 -13.339 2.321) 13.543 5.689 ( -4.235 0.395 -4.631) 6.288 5.689 ( -4.235 0.395 4.631) 6.288 5.995 ( -2.945 -11.585 -6.994) 13.849 5.995 ( -2.945 -11.585 6.994) 13.849 6.666 ( -7.112 9.025 -8.925) 14.549 6.666 ( -7.112 9.025 8.925) 14.549 6.868 ( 0.849 -4.923 -11.471) 12.512 6.868 ( 0.849 -4.923 11.471) 12.512 7.263 ( 1.306 4.123 -2.357) 4.926 7.263 ( 1.306 4.123 2.357) 4.926 7.471 ( 2.901 -28.340 -7.534) 29.467 7.471 ( 2.901 -28.340 7.534) 29.467 8.024 ( -0.704 7.017 -2.664) 7.539 8.024 ( -0.704 7.017 2.664) 7.539 8.436 ( 9.092 1.621 -2.532) 9.576 8.436 ( 9.092 1.621 2.532) 9.576 8.626 ( -4.781 -13.242 -9.332) 16.891 8.626 ( -4.781 -13.242 9.332) 16.891 8.841 ( -4.514 -11.007 -8.973) 14.901 8.841 ( -4.514 -11.007 8.973) 14.901 9.754 ( 9.527 -6.444 -12.788) 17.199 9.754 ( 9.527 -6.444 12.788) 17.199 9.991 ( 0.024 5.653 -4.931) 7.502 9.991 ( 0.024 5.653 4.931) 7.502 10.223 ( 1.902 6.333 -2.879) 7.212 10.223 ( 1.902 6.333 2.879) 7.212 10.667 ( -5.107 3.604 -14.264) 15.574 10.667 ( -5.107 3.604 14.264) 15.574 11.194 ( 9.583 6.323 -3.325) 11.953 11.194 ( 9.583 6.323 3.325) 11.953 11.448 ( -1.255 3.458 -6.789) 7.722 11.448 ( -1.255 3.458 6.789) 7.722 11.716 ( 4.816 -9.511 -8.390) 13.566 11.716 ( 4.816 -9.511 8.390) 13.566 12.019 ( -6.903 -0.340 -13.767) 15.405 12.019 ( -6.903 -0.340 13.767) 15.405 12.549 ( 2.284 1.564 -6.524) 7.087 12.549 ( 2.284 1.564 6.524) 7.087 12.747 ( 2.926 11.674 -6.212) 13.543 12.747 ( 2.926 11.674 6.212) 13.543 12.853 ( -5.061 1.312 -2.942) 5.999 12.853 ( -5.061 1.312 2.942) 5.999 13.212 ( -12.128 17.456 -7.758) 22.627 13.212 ( -12.128 17.456 7.758) 22.627 13.555 ( 3.624 13.280 -7.219) 15.544 13.555 ( 3.624 13.280 7.219) 15.544 13.911 ( -8.327 1.277 -9.509) 12.704 13.911 ( -8.327 1.277 9.509) 12.704 15.047 ( -0.992 -8.957 -1.941) 9.219 15.047 ( -0.992 -8.957 1.941) 9.219 15.297 ( 6.982 3.644 -14.586) 16.576 15.297 ( 6.982 3.644 14.586) 16.576 15.462 ( -2.573 -4.744 -6.335) 8.322 15.462 ( -2.573 -4.744 6.335) 8.322 15.548 ( -2.462 1.224 -12.818) 13.109 15.548 ( -2.462 1.224 12.818) 13.109 16.601 ( 1.927 -0.276 -0.666) 2.058 16.601 ( 1.927 -0.276 0.666) 2.058 16.785 ( 5.040 2.630 -3.482) 6.666 16.785 ( 5.040 2.630 3.482) 6.666 17.013 ( -5.153 -0.352 -3.691) 6.348 17.013 ( -5.153 -0.352 3.691) 6.348 17.214 ( -0.995 -3.034 -2.057) 3.798 17.214 ( -0.995 -3.034 2.057) 3.798 17.585 ( 1.700 -8.136 -1.883) 8.523 17.585 ( 1.700 -8.136 1.883) 8.523 18.347 ( 5.177 -17.696 -1.593) 18.506 18.347 ( 5.177 -17.696 1.593) 18.506 19.727 ( 10.595 9.965 -6.422) 15.900 19.727 ( 10.595 9.965 6.422) 15.900 20.530 ( -4.151 1.736 -1.918) 4.892 20.530 ( -4.151 1.736 1.918) 4.892 20.721 ( -8.901 14.506 -2.351) 17.181 20.721 ( -8.901 14.506 2.351) 17.181 21.727 ( -0.851 -10.142 -6.737) 12.205 21.727 ( -0.851 -10.142 6.737) 12.205 24.042 ( 9.554 16.608 -20.836) 28.306 24.042 ( 9.554 16.608 20.836) 28.306 24.607 ( -8.814 -3.067 -18.434) 20.661 24.607 ( -8.814 -3.067 18.434) 20.661 25.847 ( 2.227 0.119 -10.127) 10.369 25.847 ( 2.227 0.119 10.127) 10.369 25.976 ( -3.069 -8.357 -10.361) 13.660 25.976 ( -3.069 -8.357 10.361) 13.660 26.398 ( 6.132 11.535 -1.758) 13.181 26.398 ( 6.132 11.535 1.758) 13.181 27.147 ( -3.103 1.232 -4.545) 5.639 27.147 ( -3.103 1.232 4.545) 5.639 27.417 ( 2.865 -0.008 -6.480) 7.085 27.417 ( 2.865 -0.008 6.480) 7.085 27.711 ( -1.336 -2.616 -0.541) 2.987 27.711 ( -1.336 -2.616 0.541) 2.987 27.912 ( 1.417 0.290 -4.623) 4.844 27.912 ( 1.417 0.290 4.623) 4.844 27.993 ( 2.272 1.539 -4.355) 5.147 27.993 ( 2.272 1.539 4.355) 5.147 28.327 ( 3.305 -3.005 -14.005) 14.700 28.327 ( 3.305 -3.005 14.005) 14.700 28.618 ( -4.077 -6.132 -3.819) 8.295 28.618 ( -4.077 -6.132 3.819) 8.295 28.782 ( 0.813 0.469 -3.508) 3.631 28.782 ( 0.813 0.469 3.508) 3.631 29.053 ( -1.717 -7.588 -3.506) 8.533 29.053 ( -1.717 -7.588 3.506) 8.533 29.284 ( -1.725 2.917 -2.047) 3.959 29.284 ( -1.725 2.917 2.047) 3.959 29.757 ( -3.304 -7.078 -2.431) 8.180 29.757 ( -3.304 -7.078 2.431) 8.180 29.919 ( 1.070 4.062 -1.672) 4.521 29.919 ( 1.070 4.062 1.672) 4.521 30.188 ( -0.834 2.111 -1.789) 2.890 30.188 ( -0.834 2.111 1.789) 2.890 31.596 ( -2.174 7.031 -3.598) 8.192 31.596 ( -2.174 7.031 3.598) 8.192 32.140 ( -0.783 7.738 -10.509) 13.075 32.140 ( -0.783 7.738 10.509) 13.075 32.517 ( -0.962 1.023 -6.065) 6.225 32.517 ( -0.962 1.023 6.065) 6.225 32.911 ( -4.784 -5.896 -3.930) 8.550 32.911 ( -4.784 -5.896 3.930) 8.550 32.984 ( -2.249 -3.163 -1.454) 4.144 32.984 ( -2.249 -3.163 1.454) 4.144 33.422 ( -2.972 -11.107 -4.496) 12.346 33.422 ( -2.972 -11.107 4.496) 12.346 33.935 ( 5.183 13.778 -2.920) 15.008 33.935 ( 5.183 13.778 2.920) 15.008 35.018 ( 8.438 -8.953 -7.068) 14.188 35.018 ( 8.438 -8.953 7.068) 14.188 ======================= Grid point 167 (56/64) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 0.000 -8.884 0.000) 8.884 2.132 ( 0.000 -8.884 0.000) 8.884 2.321 ( -0.000 -3.149 -0.000) 3.149 2.321 ( -0.000 -3.149 0.000) 3.149 2.348 ( 0.000 -13.146 0.000) 13.146 2.348 ( 0.000 -13.146 0.000) 13.146 2.625 ( 0.000 -1.340 -0.000) 1.340 2.625 ( 0.000 -1.340 0.000) 1.340 2.771 ( 0.000 1.638 0.000) 1.638 2.771 ( 0.000 1.638 0.000) 1.638 2.879 ( 0.000 -7.999 -0.000) 7.999 2.879 ( 0.000 -7.999 0.000) 7.999 3.562 ( 0.000 6.177 -0.000) 6.177 3.562 ( 0.000 6.177 0.000) 6.177 3.805 ( 0.000 -1.671 0.000) 1.671 3.805 ( 0.000 -1.671 0.000) 1.671 4.045 ( -0.000 3.060 0.000) 3.060 4.045 ( 0.000 3.060 0.000) 3.060 4.113 ( 0.000 5.470 0.000) 5.470 4.113 ( 0.000 5.470 0.000) 5.470 4.704 ( 0.000 -9.381 -0.000) 9.381 4.704 ( 0.000 -9.381 0.000) 9.381 4.789 ( 0.000 1.236 0.000) 1.236 4.789 ( 0.000 1.236 0.000) 1.236 5.269 ( 0.000 7.810 0.000) 7.810 5.269 ( 0.000 7.810 0.000) 7.810 5.558 ( 0.000 -12.288 0.000) 12.288 5.558 ( 0.000 -12.288 0.000) 12.288 5.637 ( 0.000 1.096 -0.000) 1.096 5.637 ( 0.000 1.096 0.000) 1.096 5.954 ( 0.000 -10.053 0.000) 10.053 5.954 ( 0.000 -10.053 0.000) 10.053 6.586 ( 0.000 12.301 0.000) 12.301 6.586 ( 0.000 12.301 0.000) 12.301 6.876 ( 0.000 -3.529 -0.000) 3.529 6.876 ( 0.000 -3.529 0.000) 3.529 7.248 ( 0.000 10.972 0.000) 10.972 7.248 ( 0.000 10.972 0.000) 10.972 7.546 ( 0.000 -37.772 0.000) 37.772 7.546 ( 0.000 -37.772 0.000) 37.772 8.008 ( 0.000 7.725 0.000) 7.725 8.008 ( 0.000 7.725 0.000) 7.725 8.527 ( 0.000 -22.956 0.000) 22.956 8.527 ( 0.000 -22.956 0.000) 22.956 8.612 ( -0.000 12.917 0.000) 12.917 8.612 ( 0.000 12.917 0.000) 12.917 8.758 ( 0.000 -17.564 -0.000) 17.564 8.758 ( 0.000 -17.564 -0.000) 17.564 9.872 ( 0.000 -1.757 -0.000) 1.757 9.872 ( 0.000 -1.757 0.000) 1.757 9.965 ( -0.000 -1.810 -0.000) 1.810 9.965 ( 0.000 -1.810 0.000) 1.810 10.270 ( 0.000 12.960 0.000) 12.960 10.270 ( 0.000 12.960 0.000) 12.960 10.598 ( 0.000 3.906 -0.000) 3.906 10.598 ( 0.000 3.906 0.000) 3.906 11.312 ( 0.000 6.412 0.000) 6.412 11.312 ( 0.000 6.412 0.000) 6.412 11.431 ( 0.000 -0.713 0.000) 0.713 11.431 ( 0.000 -0.713 0.000) 0.713 11.828 ( -0.000 -0.727 -0.000) 0.727 11.828 ( 0.000 -0.727 0.000) 0.727 11.873 ( 0.000 -9.616 0.000) 9.616 11.873 ( 0.000 -9.616 0.000) 9.616 12.602 ( 0.000 11.924 0.000) 11.924 12.602 ( 0.000 11.924 0.000) 11.924 12.694 ( 0.000 -1.458 0.000) 1.458 12.694 ( 0.000 -1.458 0.000) 1.458 12.925 ( 0.000 13.233 -0.000) 13.233 12.925 ( 0.000 13.233 0.000) 13.233 13.007 ( -0.000 12.461 0.000) 12.461 13.007 ( 0.000 12.461 0.000) 12.461 13.619 ( 0.000 19.805 0.000) 19.805 13.619 ( 0.000 19.805 0.000) 19.805 13.802 ( 0.000 -5.459 0.000) 5.459 13.802 ( 0.000 -5.459 0.000) 5.459 15.037 ( 0.000 -9.556 0.000) 9.556 15.037 ( 0.000 -9.556 0.000) 9.556 15.392 ( 0.000 3.638 -0.000) 3.638 15.392 ( 0.000 3.638 0.000) 3.638 15.417 ( 0.000 -5.073 -0.000) 5.073 15.417 ( 0.000 -5.073 0.000) 5.073 15.516 ( 0.000 1.451 0.000) 1.451 15.516 ( -0.000 1.451 0.000) 1.451 16.622 ( 0.000 0.331 0.000) 0.331 16.622 ( 0.000 0.331 0.000) 0.331 16.877 ( -0.000 6.399 0.000) 6.399 16.877 ( 0.000 6.399 0.000) 6.399 16.921 ( -0.000 -3.035 -0.000) 3.035 16.921 ( 0.000 -3.035 -0.000) 3.035 17.202 ( 0.000 -3.281 0.000) 3.281 17.202 ( 0.000 -3.281 0.000) 3.281 17.604 ( 0.000 -8.218 0.000) 8.218 17.604 ( 0.000 -8.218 0.000) 8.218 18.400 ( 0.000 -18.994 0.000) 18.994 18.400 ( 0.000 -18.994 0.000) 18.994 19.869 ( 0.000 11.247 0.000) 11.247 19.869 ( 0.000 11.247 0.000) 11.247 20.446 ( 0.000 2.537 0.000) 2.537 20.446 ( 0.000 2.537 0.000) 2.537 20.635 ( 0.000 13.903 0.000) 13.903 20.635 ( 0.000 13.903 0.000) 13.903 21.717 ( 0.000 -10.148 0.000) 10.148 21.717 ( 0.000 -10.148 0.000) 10.148 24.179 ( 0.000 12.268 -0.000) 12.268 24.179 ( 0.000 12.268 0.000) 12.268 24.477 ( 0.000 1.692 -0.000) 1.692 24.477 ( 0.000 1.692 0.000) 1.692 25.895 ( 0.000 -0.798 -0.000) 0.798 25.895 ( 0.000 -0.798 0.000) 0.798 25.918 ( -0.000 -8.846 -0.000) 8.846 25.918 ( 0.000 -8.846 0.000) 8.846 26.470 ( 0.000 13.069 0.000) 13.069 26.470 ( 0.000 13.069 0.000) 13.069 27.109 ( 0.000 2.357 0.000) 2.357 27.109 ( 0.000 2.357 0.000) 2.357 27.453 ( 0.000 -0.372 0.000) 0.372 27.453 ( 0.000 -0.372 0.000) 0.372 27.694 ( 0.000 -4.563 0.000) 4.563 27.694 ( 0.000 -4.563 0.000) 4.563 27.933 ( 0.000 1.887 0.000) 1.887 27.933 ( 0.000 1.887 0.000) 1.887 28.009 ( 0.000 -1.301 -0.000) 1.301 28.009 ( 0.000 -1.301 0.000) 1.301 28.384 ( 0.000 -2.227 0.000) 2.227 28.384 ( 0.000 -2.227 0.000) 2.227 28.553 ( 0.000 -6.997 0.000) 6.997 28.553 ( 0.000 -6.997 0.000) 6.997 28.787 ( 0.000 1.776 0.000) 1.776 28.787 ( 0.000 1.776 0.000) 1.776 29.042 ( 0.000 -7.945 0.000) 7.945 29.042 ( 0.000 -7.945 0.000) 7.945 29.267 ( 0.000 2.939 0.000) 2.939 29.267 ( 0.000 2.939 0.000) 2.939 29.719 ( 0.000 -7.222 0.000) 7.222 29.719 ( 0.000 -7.222 0.000) 7.222 29.932 ( 0.000 4.342 0.000) 4.342 29.932 ( 0.000 4.342 0.000) 4.342 30.178 ( 0.000 1.664 0.000) 1.664 30.178 ( 0.000 1.664 0.000) 1.664 31.570 ( 0.000 9.888 0.000) 9.888 31.570 ( 0.000 9.888 0.000) 9.888 32.131 ( 0.000 6.236 -0.000) 6.236 32.131 ( 0.000 6.236 0.000) 6.236 32.506 ( 0.000 1.971 0.000) 1.971 32.506 ( 0.000 1.971 0.000) 1.971 32.863 ( 0.000 -5.478 0.000) 5.478 32.863 ( 0.000 -5.478 0.000) 5.478 32.961 ( 0.000 -3.255 0.000) 3.255 32.961 ( 0.000 -3.255 0.000) 3.255 33.394 ( 0.000 -13.962 0.000) 13.962 33.394 ( 0.000 -13.962 0.000) 13.962 33.990 ( 0.000 15.125 0.000) 15.125 33.990 ( 0.000 15.125 0.000) 15.125 35.103 ( 0.000 -9.654 0.000) 9.654 35.103 ( 0.000 -9.654 0.000) 9.654 ======================= Grid point 175 (57/64) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 0.000 -1.669 -3.605) 3.972 1.895 ( 0.000 -1.669 3.605) 3.972 2.098 ( 0.000 8.889 -3.999) 9.747 2.098 ( 0.000 8.889 3.999) 9.747 2.415 ( 0.000 -1.807 -1.358) 2.260 2.415 ( 0.000 -1.807 1.358) 2.260 2.647 ( 0.000 -4.111 -1.172) 4.275 2.647 ( 0.000 -4.111 1.172) 4.275 2.725 ( 0.000 3.601 -1.280) 3.822 2.725 ( 0.000 3.601 1.280) 3.822 2.950 ( 0.000 -6.488 -1.805) 6.734 2.950 ( 0.000 -6.488 1.805) 6.734 3.363 ( 0.000 0.428 -2.330) 2.369 3.363 ( 0.000 0.428 2.330) 2.369 3.795 ( 0.000 -11.778 -3.803) 12.377 3.795 ( 0.000 -11.778 3.803) 12.377 4.167 ( 0.000 12.125 -8.045) 14.552 4.167 ( 0.000 12.125 8.045) 14.552 4.218 ( 0.000 11.925 -9.004) 14.943 4.218 ( 0.000 11.925 9.004) 14.943 4.622 ( 0.000 -22.319 -7.933) 23.687 4.622 ( 0.000 -22.319 7.933) 23.687 4.906 ( 0.000 -9.005 -0.886) 9.048 4.906 ( 0.000 -9.005 0.886) 9.048 5.051 ( 0.000 3.738 -1.255) 3.943 5.051 ( 0.000 3.738 1.255) 3.943 5.364 ( 0.000 -4.856 -0.499) 4.882 5.364 ( 0.000 -4.856 0.499) 4.882 5.827 ( 0.000 0.501 -0.969) 1.090 5.827 ( 0.000 0.501 0.969) 1.090 5.904 ( 0.000 5.300 -7.393) 9.097 5.904 ( 0.000 5.300 7.393) 9.097 6.362 ( 0.000 -10.810 -12.252) 16.340 6.362 ( 0.000 -10.810 12.252) 16.340 6.956 ( 0.000 -13.689 -25.439) 28.889 6.956 ( 0.000 -13.689 25.439) 28.889 7.173 ( 0.000 4.450 -8.146) 9.282 7.173 ( 0.000 4.450 8.146) 9.282 7.494 ( 0.000 -2.050 -0.520) 2.114 7.494 ( 0.000 -2.050 0.520) 2.114 7.772 ( 0.000 -9.231 -3.565) 9.895 7.772 ( 0.000 -9.231 3.565) 9.895 8.107 ( 0.000 -22.317 -8.227) 23.785 8.107 ( 0.000 -22.317 8.227) 23.785 8.596 ( 0.000 -5.039 -0.008) 5.039 8.596 ( 0.000 -5.039 0.008) 5.039 9.083 ( 0.000 17.783 -13.262) 22.184 9.083 ( 0.000 17.783 13.262) 22.184 9.454 ( 0.000 10.756 -3.224) 11.229 9.454 ( 0.000 10.756 3.224) 11.229 10.113 ( 0.000 7.135 -2.285) 7.492 10.113 ( 0.000 7.135 2.285) 7.492 10.289 ( 0.000 2.695 -8.869) 9.269 10.289 ( 0.000 2.695 8.869) 9.269 10.711 ( 0.000 -10.242 -6.408) 12.081 10.711 ( 0.000 -10.242 6.408) 12.081 10.919 ( 0.000 -0.440 -13.813) 13.820 10.919 ( 0.000 -0.440 13.813) 13.820 11.272 ( 0.000 -13.377 -11.797) 17.836 11.272 ( 0.000 -13.377 11.797) 17.836 11.787 ( 0.000 10.489 -16.399) 19.467 11.787 ( 0.000 10.489 16.399) 19.467 12.228 ( 0.000 0.944 -16.144) 16.172 12.228 ( 0.000 0.944 16.144) 16.172 12.466 ( 0.000 2.795 -2.118) 3.507 12.466 ( 0.000 2.795 2.118) 3.507 12.686 ( 0.000 -4.520 -1.534) 4.774 12.686 ( 0.000 -4.520 1.534) 4.774 13.253 ( 0.000 17.396 -12.937) 21.679 13.253 ( 0.000 17.396 12.937) 21.679 13.543 ( 0.000 -3.912 -11.894) 12.521 13.543 ( 0.000 -3.912 11.894) 12.521 13.972 ( 0.000 18.866 -1.165) 18.901 13.972 ( 0.000 18.866 1.165) 18.901 14.422 ( 0.000 13.465 -8.365) 15.851 14.422 ( 0.000 13.465 8.365) 15.851 14.900 ( 0.000 -9.099 -4.274) 10.053 14.900 ( 0.000 -9.099 4.274) 10.053 15.234 ( 0.000 7.147 -6.551) 9.695 15.234 ( 0.000 7.147 6.551) 9.695 15.342 ( 0.000 -7.782 -7.193) 10.597 15.342 ( 0.000 -7.782 7.193) 10.597 15.608 ( 0.000 -2.652 -3.934) 4.744 15.608 ( 0.000 -2.652 3.934) 4.744 16.537 ( 0.000 0.391 -1.851) 1.892 16.537 ( 0.000 0.391 1.851) 1.892 16.616 ( 0.000 -5.313 -3.385) 6.300 16.616 ( 0.000 -5.313 3.385) 6.300 16.974 ( 0.000 -7.174 -2.426) 7.573 16.974 ( 0.000 -7.174 2.426) 7.573 17.299 ( 0.000 2.107 -0.172) 2.114 17.299 ( 0.000 2.107 0.172) 2.114 17.413 ( 0.000 0.264 -5.840) 5.846 17.413 ( 0.000 0.264 5.840) 5.846 17.841 ( 0.000 -14.618 -3.020) 14.927 17.841 ( 0.000 -14.618 3.020) 14.927 19.612 ( 0.000 6.620 -6.130) 9.022 19.612 ( 0.000 6.620 6.130) 9.022 20.621 ( 0.000 -1.912 -2.701) 3.309 20.621 ( 0.000 -1.912 2.701) 3.309 21.226 ( 0.000 11.387 -3.367) 11.874 21.226 ( 0.000 11.387 3.367) 11.874 21.616 ( 0.000 -4.938 -7.316) 8.826 21.616 ( 0.000 -4.938 7.316) 8.826 24.326 ( 0.000 22.112 -11.410) 24.882 24.326 ( 0.000 22.112 11.410) 24.882 24.581 ( 0.000 -7.763 -15.244) 17.107 24.581 ( 0.000 -7.763 15.244) 17.107 25.791 ( 0.000 -7.502 -6.602) 9.993 25.791 ( 0.000 -7.502 6.602) 9.993 25.999 ( 0.000 -1.234 -6.302) 6.422 25.999 ( 0.000 -1.234 6.302) 6.422 26.286 ( 0.000 6.520 -3.527) 7.413 26.286 ( 0.000 6.520 3.527) 7.413 27.150 ( 0.000 -4.443 -7.448) 8.673 27.150 ( 0.000 -4.443 7.448) 8.673 27.420 ( 0.000 4.371 -10.162) 11.062 27.420 ( 0.000 4.371 10.162) 11.062 27.747 ( 0.000 -1.577 -1.631) 2.269 27.747 ( 0.000 -1.577 1.631) 2.269 27.873 ( 0.000 -1.367 -1.116) 1.765 27.873 ( 0.000 -1.367 1.116) 1.765 28.030 ( 0.000 10.159 -4.912) 11.284 28.030 ( 0.000 10.159 4.912) 11.284 28.231 ( 0.000 -1.433 -11.304) 11.395 28.231 ( 0.000 -1.433 11.304) 11.395 28.624 ( 0.000 -4.481 -2.410) 5.088 28.624 ( 0.000 -4.481 2.410) 5.088 28.681 ( 0.000 -0.873 -4.265) 4.354 28.681 ( 0.000 -0.873 4.265) 4.354 28.983 ( 0.000 -7.216 -0.594) 7.241 28.983 ( 0.000 -7.216 0.594) 7.241 29.404 ( 0.000 2.251 -4.672) 5.186 29.404 ( 0.000 2.251 4.672) 5.186 29.685 ( 0.000 -10.247 -0.763) 10.275 29.685 ( 0.000 -10.247 0.763) 10.275 29.947 ( 0.000 2.263 -0.543) 2.327 29.947 ( 0.000 2.263 0.543) 2.327 30.243 ( 0.000 0.501 -3.591) 3.626 30.243 ( 0.000 0.501 3.591) 3.626 31.740 ( 0.000 7.812 -3.385) 8.514 31.740 ( 0.000 7.812 3.385) 8.514 32.389 ( 0.000 10.932 -12.798) 16.832 32.389 ( 0.000 10.932 12.798) 16.832 32.513 ( 0.000 -1.347 -8.461) 8.567 32.513 ( 0.000 -1.347 8.461) 8.567 32.911 ( 0.000 -9.301 -10.159) 13.773 32.911 ( 0.000 -9.301 10.159) 13.773 33.096 ( 0.000 -4.288 -0.713) 4.347 33.096 ( 0.000 -4.288 0.713) 4.347 33.553 ( 0.000 -3.589 -3.719) 5.169 33.553 ( 0.000 -3.589 3.719) 5.169 33.810 ( 0.000 2.708 -5.438) 6.075 33.810 ( 0.000 2.708 5.438) 6.075 34.542 ( 0.000 -0.359 -6.975) 6.984 34.542 ( 0.000 -0.359 6.975) 6.984 ======================= Grid point 177 (58/64) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 2.217 -0.756 -6.923) 7.308 1.943 ( 2.217 -0.756 6.923) 7.308 2.084 ( 0.540 5.426 -7.709) 9.442 2.084 ( 0.540 5.426 7.709) 9.442 2.385 ( -2.402 -5.331 -2.617) 6.406 2.385 ( -2.402 -5.331 2.617) 6.406 2.629 ( -2.569 -2.400 -1.973) 4.032 2.629 ( -2.569 -2.400 1.973) 4.032 2.716 ( -0.060 0.391 -0.433) 0.586 2.716 ( -0.060 0.391 0.433) 0.586 2.885 ( -6.124 -7.463 -1.811) 9.822 2.885 ( -6.124 -7.463 1.811) 9.822 3.400 ( 3.912 2.731 -8.927) 10.122 3.400 ( 3.912 2.731 8.927) 10.122 3.771 ( 0.265 -6.548 -9.490) 11.532 3.771 ( 0.265 -6.548 9.490) 11.532 4.173 ( 0.815 10.801 -5.499) 12.147 4.173 ( 0.815 10.801 5.499) 12.147 4.304 ( 3.359 3.015 -1.684) 4.817 4.304 ( 3.359 3.015 1.684) 4.817 4.590 ( -1.036 -8.239 -5.797) 10.127 4.590 ( -1.036 -8.239 5.797) 10.127 4.894 ( -1.334 -4.568 -1.186) 4.904 4.894 ( -1.334 -4.568 1.186) 4.904 5.126 ( 5.566 -3.197 -2.512) 6.893 5.126 ( 5.566 -3.197 2.512) 6.893 5.335 ( -2.256 -5.485 -5.054) 7.792 5.335 ( -2.256 -5.485 5.054) 7.792 5.798 ( -2.223 -0.366 -7.619) 7.945 5.798 ( -2.223 -0.366 7.619) 7.945 5.886 ( -1.582 5.166 -5.881) 7.986 5.886 ( -1.582 5.166 5.881) 7.986 6.402 ( 3.625 -15.239 -7.909) 17.548 6.402 ( 3.625 -15.239 7.909) 17.548 6.911 ( -5.453 -15.667 -18.772) 25.052 6.911 ( -5.453 -15.667 18.772) 25.052 7.045 ( -5.756 3.506 -7.686) 10.222 7.045 ( -5.756 3.506 7.686) 10.222 7.473 ( -7.015 -4.124 -13.209) 15.514 7.473 ( -7.015 -4.124 13.209) 15.514 7.858 ( 10.322 -9.869 -8.843) 16.797 7.858 ( 10.322 -9.869 8.843) 16.797 8.179 ( 5.932 -11.200 -4.139) 13.333 8.179 ( 5.932 -11.200 4.139) 13.333 8.553 ( -4.019 -3.321 -3.488) 6.273 8.553 ( -4.019 -3.321 3.488) 6.273 9.067 ( -2.859 17.218 -6.816) 18.738 9.067 ( -2.859 17.218 6.816) 18.738 9.542 ( 8.348 6.644 -8.030) 13.353 9.542 ( 8.348 6.644 8.030) 13.353 10.120 ( -1.847 0.543 -2.189) 2.915 10.120 ( -1.847 0.543 2.189) 2.915 10.275 ( 2.445 8.407 -4.864) 10.015 10.275 ( 2.445 8.407 4.864) 10.015 10.720 ( -1.331 -6.212 -10.100) 11.932 10.720 ( -1.331 -6.212 10.100) 11.932 10.986 ( 7.473 -3.015 -7.760) 11.187 10.986 ( 7.473 -3.015 7.760) 11.187 11.326 ( 4.866 -13.503 -11.769) 18.561 11.326 ( 4.866 -13.503 11.769) 18.561 11.720 ( -6.133 9.397 -16.746) 20.158 11.720 ( -6.133 9.397 16.746) 20.158 12.135 ( -8.255 -3.566 -19.623) 21.585 12.135 ( -8.255 -3.566 19.623) 21.585 12.512 ( 4.077 3.357 -5.362) 7.527 12.512 ( 4.077 3.357 5.362) 7.527 12.749 ( 5.602 0.089 -1.846) 5.899 12.749 ( 5.602 0.089 1.846) 5.899 13.215 ( -3.640 16.943 -13.146) 21.752 13.215 ( -3.640 16.943 13.146) 21.752 13.553 ( 1.050 -3.466 -14.721) 15.160 13.553 ( 1.050 -3.466 14.721) 15.160 13.879 ( -8.577 20.001 -2.805) 21.943 13.879 ( -8.577 20.001 2.805) 21.943 14.322 ( -8.098 13.883 -9.581) 18.712 14.322 ( -8.098 13.883 9.581) 18.712 14.885 ( -1.647 -8.108 -2.930) 8.777 14.885 ( -1.647 -8.108 2.930) 8.777 15.249 ( 0.814 -2.589 -9.343) 9.729 15.249 ( 0.814 -2.589 9.343) 9.729 15.369 ( 2.671 -0.762 -8.938) 9.360 15.369 ( 2.671 -0.762 8.938) 9.360 15.593 ( -1.356 -1.622 -5.524) 5.914 15.593 ( -1.356 -1.622 5.524) 5.914 16.560 ( 2.280 0.383 -1.141) 2.578 16.560 ( 2.280 0.383 1.141) 2.578 16.662 ( 3.852 -5.281 -3.199) 7.278 16.662 ( 3.852 -5.281 3.199) 7.278 16.975 ( 0.201 -5.226 -2.258) 5.696 16.975 ( 0.201 -5.226 2.258) 5.696 17.274 ( -2.386 1.724 -1.826) 3.464 17.274 ( -2.386 1.724 1.826) 3.464 17.433 ( 1.747 0.334 -5.333) 5.622 17.433 ( 1.747 0.334 5.333) 5.622 17.890 ( 4.157 -16.101 -3.566) 17.007 17.890 ( 4.157 -16.101 3.566) 17.007 19.692 ( 7.596 6.590 -6.244) 11.837 19.692 ( 7.596 6.590 6.244) 11.837 20.598 ( -2.394 -2.329 -1.690) 3.743 20.598 ( -2.394 -2.329 1.690) 3.743 21.177 ( -4.514 13.251 -3.498) 14.429 21.177 ( -4.514 13.251 3.498) 14.429 21.589 ( -2.320 -5.709 -6.719) 9.117 21.589 ( -2.320 -5.709 6.719) 9.117 24.341 ( 1.406 19.489 -11.101) 22.473 24.341 ( 1.406 19.489 11.101) 22.473 24.563 ( -1.649 -6.868 -12.957) 14.757 24.563 ( -1.649 -6.868 12.957) 14.757 25.800 ( 0.698 -7.466 -7.145) 10.357 25.800 ( 0.698 -7.466 7.145) 10.357 25.947 ( -3.362 1.225 -4.956) 6.113 25.947 ( -3.362 1.225 4.956) 6.113 26.413 ( 10.334 7.038 -3.484) 12.979 26.413 ( 10.334 7.038 3.484) 12.979 27.140 ( -0.641 -4.241 -5.674) 7.113 27.140 ( -0.641 -4.241 5.674) 7.113 27.436 ( 1.393 4.734 -8.222) 9.589 27.436 ( 1.393 4.734 8.222) 9.589 27.725 ( -2.967 -0.602 -0.195) 3.034 27.725 ( -2.967 -0.602 0.195) 3.034 27.856 ( -0.601 -3.511 -2.572) 4.394 27.856 ( -0.601 -3.511 2.572) 4.394 28.051 ( 1.343 7.474 -3.239) 8.256 28.051 ( 1.343 7.474 3.239) 8.256 28.239 ( 1.176 -0.830 -10.859) 10.954 28.239 ( 1.176 -0.830 10.859) 10.954 28.586 ( -3.265 -4.388 -2.789) 6.140 28.586 ( -3.265 -4.388 2.789) 6.140 28.709 ( 2.229 -1.601 -3.719) 4.622 28.709 ( 2.229 -1.601 3.719) 4.622 28.958 ( -2.309 -6.858 -0.568) 7.259 28.958 ( -2.309 -6.858 0.568) 7.259 29.384 ( -1.669 2.867 -3.865) 5.093 29.384 ( -1.669 2.867 3.865) 5.093 29.655 ( -2.654 -9.411 -2.331) 10.052 29.655 ( -2.654 -9.411 2.331) 10.052 29.967 ( 1.809 2.841 -1.386) 3.642 29.967 ( 1.809 2.841 1.386) 3.642 30.231 ( -1.159 0.195 -3.430) 3.626 30.231 ( -1.159 0.195 3.430) 3.626 31.763 ( 2.132 9.211 -3.085) 9.945 31.763 ( 2.132 9.211 3.085) 9.945 32.372 ( -1.918 9.957 -10.218) 14.395 32.372 ( -1.918 9.957 10.218) 14.395 32.519 ( 0.632 -0.655 -7.968) 8.020 32.519 ( 0.632 -0.655 7.968) 8.020 32.875 ( -4.397 -9.771 -10.122) 14.739 32.875 ( -4.397 -9.771 10.122) 14.739 32.968 ( -7.064 -3.916 -1.885) 8.294 32.968 ( -7.064 -3.916 1.885) 8.294 33.424 ( -10.684 -4.566 -6.470) 13.299 33.424 ( -10.684 -4.566 6.470) 13.299 33.981 ( 12.647 6.801 -4.764) 15.129 33.981 ( 12.647 6.801 4.764) 15.129 34.647 ( 8.277 -5.138 -6.710) 11.829 34.647 ( 8.277 -5.138 6.710) 11.829 ======================= Grid point 179 (59/64) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -3.685 -2.558 -2.521) 5.146 1.905 ( -3.685 -2.558 2.521) 5.146 2.180 ( 6.394 0.588 -4.108) 7.623 2.180 ( 6.394 0.588 4.108) 7.623 2.325 ( -3.535 -7.291 -2.173) 8.389 2.325 ( -3.535 -7.291 2.173) 8.389 2.563 ( -3.013 -4.132 -0.700) 5.161 2.563 ( -3.013 -4.132 0.700) 5.161 2.702 ( -2.611 -8.402 -1.359) 8.902 2.702 ( -2.611 -8.402 1.359) 8.902 2.759 ( -3.648 -5.108 -2.539) 6.771 2.759 ( -3.648 -5.108 2.539) 6.771 3.545 ( 10.313 7.409 -10.029) 16.181 3.545 ( 10.313 7.409 10.029) 16.181 3.835 ( 4.660 1.521 -10.921) 11.971 3.835 ( 4.660 1.521 10.921) 11.971 4.165 ( -2.296 4.520 -1.899) 5.414 4.165 ( -2.296 4.520 1.899) 5.414 4.257 ( -6.157 -0.021 -6.192) 8.732 4.257 ( -6.157 -0.021 6.192) 8.732 4.621 ( 1.939 2.659 -2.828) 4.339 4.621 ( 1.939 2.659 2.828) 4.339 4.836 ( -3.415 -1.111 -3.775) 5.211 4.836 ( -3.415 -1.111 3.775) 5.211 5.222 ( 3.630 -4.720 -1.710) 6.195 5.222 ( 3.630 -4.720 1.710) 6.195 5.310 ( -0.286 -9.634 -4.587) 10.674 5.310 ( -0.286 -9.634 4.587) 10.674 5.755 ( -2.032 3.787 -7.241) 8.420 5.755 ( -2.032 3.787 7.241) 8.420 5.853 ( -1.123 1.885 -6.991) 7.327 5.853 ( -1.123 1.885 6.991) 7.327 6.497 ( 5.354 -22.029 -14.439) 26.878 6.497 ( 5.354 -22.029 14.439) 26.878 6.779 ( -5.937 -13.713 -19.114) 24.262 6.779 ( -5.937 -13.713 19.114) 24.262 6.995 ( -0.522 -2.487 -3.847) 4.610 6.995 ( -0.522 -2.487 3.847) 4.610 7.310 ( -6.721 -8.117 -4.322) 11.390 7.310 ( -6.721 -8.117 4.322) 11.390 8.058 ( 7.599 -3.403 -5.577) 10.021 8.058 ( 7.599 -3.403 5.577) 10.021 8.315 ( 4.245 0.571 -3.875) 5.775 8.315 ( 4.245 0.571 3.875) 5.775 8.472 ( -0.441 -0.768 -4.070) 4.165 8.472 ( -0.441 -0.768 4.070) 4.165 8.950 ( -8.026 12.172 -3.030) 14.891 8.950 ( -8.026 12.172 3.030) 14.891 9.738 ( 9.365 1.456 -7.806) 12.278 9.738 ( 9.365 1.456 7.806) 12.278 10.042 ( -4.435 -1.350 -5.481) 7.178 10.042 ( -4.435 -1.350 5.481) 7.178 10.403 ( 8.073 10.635 -4.097) 13.966 10.403 ( 8.073 10.635 4.097) 13.966 10.658 ( -3.867 -1.410 -11.357) 12.080 10.658 ( -3.867 -1.410 11.357) 12.080 11.185 ( 10.399 -5.337 -7.207) 13.732 11.185 ( 10.399 -5.337 7.207) 13.732 11.450 ( 6.682 -12.064 -10.587) 17.386 11.450 ( 6.682 -12.064 10.587) 17.386 11.570 ( -7.024 4.933 -14.115) 16.520 11.570 ( -7.024 4.933 14.115) 16.520 11.925 ( -11.812 -7.839 -18.226) 23.091 11.925 ( -11.812 -7.839 18.226) 23.091 12.620 ( 6.417 5.189 -5.173) 9.740 12.620 ( 6.417 5.189 5.173) 9.740 12.866 ( 3.519 2.794 -2.778) 5.283 12.866 ( 3.519 2.794 2.778) 5.283 13.140 ( -1.418 17.516 -9.268) 19.867 13.140 ( -1.418 17.516 9.268) 19.867 13.529 ( -7.086 2.420 -14.582) 16.393 13.529 ( -7.086 2.420 14.582) 16.393 13.717 ( -2.767 15.367 -6.264) 16.824 13.717 ( -2.767 15.367 6.264) 16.824 14.157 ( -7.168 16.221 -8.718) 19.761 14.157 ( -7.168 16.221 8.718) 19.761 14.842 ( -2.067 -7.977 -0.728) 8.272 14.842 ( -2.067 -7.977 0.728) 8.272 15.254 ( -0.192 -10.904 -8.769) 13.994 15.254 ( -0.192 -10.904 8.769) 13.994 15.436 ( 3.290 4.067 -9.176) 10.562 15.436 ( 3.290 4.067 9.176) 10.562 15.559 ( -1.791 -0.124 -7.446) 7.659 15.559 ( -1.791 -0.124 7.446) 7.659 16.616 ( 2.660 0.743 -0.454) 2.799 16.616 ( 2.660 0.743 0.454) 2.799 16.741 ( 3.335 -6.944 -2.552) 8.115 16.741 ( 3.335 -6.944 2.552) 8.115 16.987 ( 1.118 0.207 -2.170) 2.449 16.987 ( 1.118 0.207 2.170) 2.449 17.210 ( -3.503 0.413 -2.900) 4.567 17.210 ( -3.503 0.413 2.900) 4.567 17.471 ( 1.657 0.460 -3.379) 3.791 17.471 ( 1.657 0.460 3.379) 3.791 17.972 ( 3.185 -18.154 -2.935) 18.664 17.972 ( 3.185 -18.154 2.935) 18.664 19.895 ( 11.171 6.768 -5.774) 14.281 19.895 ( 11.171 6.768 5.774) 14.281 20.517 ( -5.602 -3.806 -3.192) 7.487 20.517 ( -5.602 -3.806 3.192) 7.487 21.068 ( -5.139 17.463 -2.082) 18.322 21.068 ( -5.139 17.463 2.082) 18.322 21.541 ( -1.953 -7.451 -4.321) 8.832 21.541 ( -1.953 -7.451 4.321) 8.832 24.378 ( 1.991 12.984 -9.295) 16.092 24.378 ( 1.991 12.984 9.295) 16.092 24.524 ( -1.937 -3.548 -8.347) 9.274 24.524 ( -1.937 -3.548 8.347) 9.274 25.810 ( 0.233 -4.772 -6.470) 8.043 25.810 ( 0.233 -4.772 6.470) 8.043 25.896 ( -1.618 1.540 -3.309) 3.992 25.896 ( -1.618 1.540 3.309) 3.992 26.635 ( 10.020 11.105 -3.337) 15.325 26.635 ( 10.020 11.105 3.337) 15.325 27.139 ( 0.552 -2.742 -2.069) 3.479 27.139 ( 0.552 -2.742 2.069) 3.479 27.448 ( -0.478 3.247 -2.476) 4.111 27.448 ( -0.478 3.247 2.476) 4.111 27.632 ( -5.369 -4.221 -0.471) 6.846 27.632 ( -5.369 -4.221 0.471) 6.846 27.880 ( 3.246 -3.531 -2.856) 5.583 27.880 ( 3.246 -3.531 2.856) 5.583 28.048 ( -2.022 3.050 -1.551) 3.974 28.048 ( -2.022 3.050 1.551) 3.974 28.292 ( 3.887 0.278 -8.467) 9.321 28.292 ( 3.887 0.278 8.467) 9.321 28.503 ( -4.585 -4.580 -4.530) 7.907 28.503 ( -4.585 -4.580 4.530) 7.907 28.759 ( 2.419 -1.884 -3.340) 4.534 28.759 ( 2.419 -1.884 3.340) 4.534 28.903 ( -2.537 -6.544 -1.449) 7.166 28.903 ( -2.537 -6.544 1.449) 7.166 29.351 ( -1.249 3.797 -2.070) 4.501 29.351 ( -1.249 3.797 2.070) 4.501 29.596 ( -2.676 -7.976 -2.278) 8.716 29.596 ( -2.676 -7.976 2.278) 8.716 30.010 ( 2.052 4.224 -1.575) 4.953 30.010 ( 2.052 4.224 1.575) 4.953 30.202 ( -1.504 -0.570 -2.571) 3.033 30.202 ( -1.504 -0.570 2.571) 3.033 31.814 ( 2.450 13.082 -2.063) 13.468 31.814 ( 2.450 13.082 2.063) 13.468 32.308 ( -3.755 6.502 -3.998) 8.507 32.308 ( -3.755 6.502 3.998) 8.507 32.543 ( 1.652 1.681 -5.360) 5.856 32.543 ( 1.652 1.681 5.360) 5.856 32.765 ( -4.262 -7.172 -4.740) 9.596 32.765 ( -4.262 -7.172 4.740) 9.596 32.895 ( -1.655 -4.804 -5.336) 7.368 32.895 ( -1.655 -4.804 5.336) 7.368 33.209 ( -8.876 -9.469 -6.428) 14.484 33.209 ( -8.876 -9.469 6.428) 14.484 34.207 ( 8.335 12.390 -3.009) 15.232 34.207 ( 8.335 12.390 3.009) 15.232 34.800 ( 5.642 -11.282 -4.336) 13.338 34.800 ( 5.642 -11.282 4.336) 13.338 ======================= Grid point 181 (60/64) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 0.000 -7.598 0.000) 7.598 1.862 ( 0.000 -7.598 0.000) 7.598 2.266 ( 0.000 1.291 -0.000) 1.291 2.266 ( 0.000 1.291 0.000) 1.291 2.269 ( 0.000 -3.776 -0.000) 3.776 2.269 ( -0.000 -3.776 0.000) 3.776 2.524 ( 0.000 -10.091 0.000) 10.091 2.524 ( 0.000 -10.091 0.000) 10.091 2.664 ( 0.000 -9.393 0.000) 9.393 2.664 ( 0.000 -9.393 0.000) 9.393 2.733 ( 0.000 -4.733 -0.000) 4.733 2.733 ( 0.000 -4.733 0.000) 4.733 3.715 ( 0.000 7.583 -0.000) 7.583 3.715 ( -0.000 7.583 0.000) 7.583 3.881 ( 0.000 6.147 0.000) 6.147 3.881 ( 0.000 6.147 0.000) 6.147 4.137 ( -0.000 -0.270 -0.000) 0.270 4.137 ( -0.000 -0.270 0.001) 0.270 4.142 ( 0.000 6.844 -0.001) 6.844 4.142 ( 0.000 6.844 0.000) 6.844 4.633 ( 0.000 0.962 -0.000) 0.962 4.633 ( 0.000 0.962 0.000) 0.962 4.803 ( 0.000 -1.030 0.000) 1.030 4.803 ( 0.000 -1.030 0.000) 1.030 5.281 ( -0.000 -4.858 0.000) 4.858 5.281 ( 0.000 -4.858 0.000) 4.858 5.289 ( -0.000 -12.185 0.000) 12.185 5.289 ( 0.000 -12.185 0.000) 12.185 5.729 ( 0.000 7.580 -0.000) 7.580 5.729 ( 0.000 7.580 0.000) 7.580 5.844 ( 0.000 -0.085 0.000) 0.085 5.844 ( -0.000 -0.085 0.000) 0.085 6.583 ( 0.000 -20.130 -0.000) 20.130 6.583 ( 0.000 -20.130 0.000) 20.130 6.691 ( 0.000 -18.944 -0.000) 18.944 6.691 ( 0.000 -18.944 0.000) 18.944 6.997 ( 0.000 -3.602 0.000) 3.602 6.997 ( 0.000 -3.602 0.000) 3.602 7.239 ( 0.000 -9.058 0.000) 9.058 7.239 ( 0.000 -9.058 0.000) 9.058 8.152 ( -0.000 5.012 -0.000) 5.012 8.152 ( 0.000 5.012 -0.000) 5.012 8.290 ( 0.000 0.005 0.000) 0.005 8.290 ( 0.000 0.005 0.000) 0.005 8.558 ( 0.000 1.869 0.000) 1.869 8.558 ( 0.000 1.869 0.000) 1.869 8.821 ( 0.000 6.982 -0.000) 6.982 8.821 ( 0.000 6.982 0.000) 6.982 9.865 ( 0.000 0.439 -0.000) 0.439 9.865 ( 0.000 0.439 0.000) 0.439 9.970 ( -0.000 -0.727 -0.000) 0.727 9.970 ( 0.000 -0.727 0.000) 0.727 10.526 ( 0.000 10.962 0.000) 10.962 10.526 ( 0.000 10.962 0.000) 10.962 10.590 ( -0.000 -0.841 -0.000) 0.841 10.590 ( 0.000 -0.841 -0.000) 0.841 11.333 ( -0.000 -2.405 -0.000) 2.405 11.333 ( 0.000 -2.405 0.000) 2.405 11.426 ( 0.000 -1.574 -0.000) 1.574 11.426 ( 0.000 -1.574 0.000) 1.574 11.646 ( -0.000 -10.425 0.000) 10.425 11.646 ( 0.000 -10.425 -0.000) 10.425 11.701 ( -0.000 -8.939 -0.000) 8.939 11.701 ( 0.000 -8.939 0.000) 8.939 12.727 ( -0.000 5.646 -0.000) 5.646 12.727 ( 0.000 5.646 0.000) 5.646 12.847 ( 0.000 6.697 -0.000) 6.697 12.847 ( 0.000 6.697 0.000) 6.697 13.195 ( -0.000 11.147 0.000) 11.147 13.195 ( 0.000 11.147 0.000) 11.147 13.370 ( 0.000 15.788 0.000) 15.788 13.370 ( 0.000 15.788 0.000) 15.788 13.724 ( 0.000 4.200 0.000) 4.200 13.724 ( 0.000 4.200 0.000) 4.200 14.073 ( 0.000 19.349 0.000) 19.349 14.073 ( 0.000 19.349 0.000) 19.349 14.819 ( 0.000 -8.392 0.000) 8.392 14.819 ( 0.000 -8.392 0.000) 8.392 15.250 ( 0.000 -12.015 0.000) 12.015 15.250 ( 0.000 -12.015 0.000) 12.015 15.479 ( 0.000 4.132 -0.000) 4.132 15.479 ( 0.000 4.132 0.000) 4.132 15.532 ( -0.000 0.301 -0.000) 0.301 15.532 ( 0.000 0.301 0.000) 0.301 16.646 ( 0.000 1.057 0.000) 1.057 16.646 ( 0.000 1.057 0.000) 1.057 16.777 ( 0.000 -8.954 0.000) 8.954 16.777 ( 0.000 -8.954 0.000) 8.954 17.007 ( 0.000 5.243 0.000) 5.243 17.007 ( 0.000 5.243 0.000) 5.243 17.164 ( 0.000 -1.651 0.000) 1.651 17.164 ( 0.000 -1.651 0.000) 1.651 17.489 ( 0.000 0.497 0.000) 0.497 17.489 ( 0.000 0.497 0.000) 0.497 18.006 ( 0.000 -18.849 0.000) 18.849 18.006 ( 0.000 -18.849 0.000) 18.849 20.049 ( 0.000 8.074 0.000) 8.074 20.049 ( 0.000 8.074 0.000) 8.074 20.425 ( 0.000 -5.761 0.000) 5.761 20.425 ( 0.000 -5.761 0.000) 5.761 21.010 ( 0.000 19.591 0.000) 19.591 21.010 ( 0.000 19.591 0.000) 19.591 21.520 ( 0.000 -8.389 0.000) 8.389 21.520 ( 0.000 -8.389 0.000) 8.389 24.404 ( 0.000 7.762 0.000) 7.762 24.404 ( 0.000 7.762 0.000) 7.762 24.499 ( 0.000 0.203 -0.000) 0.203 24.499 ( 0.000 0.203 -0.000) 0.203 25.812 ( 0.000 -1.009 0.000) 1.009 25.812 ( 0.000 -1.009 0.000) 1.009 25.880 ( 0.000 -0.886 -0.000) 0.886 25.880 ( 0.000 -0.886 0.000) 0.886 26.752 ( 0.000 14.332 0.000) 14.332 26.752 ( 0.000 14.332 0.000) 14.332 27.147 ( 0.000 -0.122 0.000) 0.122 27.147 ( 0.000 -0.122 0.000) 0.122 27.446 ( 0.000 -0.223 0.000) 0.223 27.446 ( 0.000 -0.223 0.000) 0.223 27.554 ( 0.000 -8.008 -0.000) 8.008 27.554 ( 0.000 -8.008 0.000) 8.008 27.967 ( -0.000 0.913 -0.000) 0.913 27.967 ( 0.000 0.913 0.000) 0.913 27.979 ( 0.000 -1.395 -0.000) 1.395 27.979 ( -0.000 -1.395 0.000) 1.395 28.360 ( -0.000 0.225 -0.000) 0.225 28.360 ( -0.000 0.225 0.000) 0.225 28.429 ( 0.000 -4.483 -0.000) 4.483 28.429 ( 0.000 -4.483 0.000) 4.483 28.789 ( 0.000 -1.096 0.000) 1.096 28.789 ( 0.000 -1.096 0.000) 1.096 28.874 ( 0.000 -7.418 0.000) 7.418 28.874 ( 0.000 -7.418 0.000) 7.418 29.338 ( 0.000 4.106 0.000) 4.106 29.338 ( 0.000 4.106 0.000) 4.106 29.566 ( 0.000 -7.281 0.000) 7.281 29.566 ( 0.000 -7.281 0.000) 7.281 30.035 ( 0.000 5.273 0.000) 5.273 30.035 ( 0.000 5.273 0.000) 5.273 30.183 ( 0.000 -1.283 0.000) 1.283 30.183 ( 0.000 -1.283 0.000) 1.283 31.843 ( 0.000 15.981 0.000) 15.981 31.843 ( 0.000 15.981 0.000) 15.981 32.261 ( 0.000 3.946 -0.000) 3.946 32.261 ( 0.000 3.946 0.000) 3.946 32.567 ( 0.000 3.961 0.000) 3.961 32.567 ( 0.000 3.961 0.000) 3.961 32.719 ( 0.000 -6.881 0.000) 6.881 32.719 ( 0.000 -6.881 0.000) 6.881 32.880 ( 0.000 -3.970 0.000) 3.970 32.880 ( 0.000 -3.970 0.000) 3.970 33.111 ( 0.000 -13.597 0.000) 13.597 33.111 ( 0.000 -13.597 0.000) 13.597 34.294 ( 0.000 14.554 0.000) 14.554 34.294 ( 0.000 14.554 0.000) 14.554 34.858 ( 0.000 -13.437 0.000) 13.437 34.858 ( 0.000 -13.437 0.000) 13.437 ======================= Grid point 189 (61/64) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 0.000 0.000 0.000) 0.000 1.892 ( 0.000 0.000 0.000) 0.000 2.261 ( 0.000 -0.000 0.000) 0.000 2.261 ( 0.000 0.000 0.000) 0.000 2.295 ( 0.000 -0.000 -0.000) 0.000 2.295 ( 0.000 0.000 -0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 2.717 ( 0.000 -0.000 -0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 -0.000 -0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 -0.000) 0.000 4.636 ( 0.000 -0.001 0.000) 0.001 4.636 ( 0.000 0.000 0.000) 0.000 4.637 ( 0.000 -0.000 -0.000) 0.000 4.637 ( 0.000 0.001 -0.000) 0.001 5.109 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.297 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 -0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 6.420 ( 0.000 -0.000 -0.000) 0.000 6.420 ( 0.000 -0.000 0.000) 0.000 6.521 ( 0.000 0.000 -0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.224 ( 0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 -0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.611 ( 0.000 0.000 -0.000) 0.000 7.611 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 -0.000) 0.000 8.559 ( 0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 10.187 ( 0.000 0.000 -0.000) 0.000 10.187 ( 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 10.475 ( 0.000 -0.000 -0.000) 0.000 10.475 ( 0.000 0.000 -0.000) 0.000 11.016 ( 0.000 -0.000 0.000) 0.000 11.016 ( 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 11.917 ( 0.000 0.000 0.000) 0.000 11.917 ( 0.000 0.000 0.000) 0.000 12.207 ( 0.000 0.000 0.000) 0.000 12.207 ( 0.000 0.000 0.000) 0.000 12.513 ( 0.000 0.000 0.000) 0.000 12.513 ( 0.000 0.000 0.000) 0.000 12.644 ( 0.000 0.000 0.000) 0.000 12.644 ( 0.000 0.000 0.000) 0.000 13.434 ( 0.000 0.000 -0.000) 0.000 13.434 ( 0.000 0.000 0.000) 0.000 13.520 ( 0.000 0.000 0.000) 0.000 13.520 ( 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 14.557 ( 0.000 0.000 -0.000) 0.000 14.557 ( 0.000 0.000 0.000) 0.000 14.833 ( 0.000 0.000 0.000) 0.000 14.833 ( 0.000 0.000 0.000) 0.000 15.135 ( 0.000 0.000 0.000) 0.000 15.135 ( 0.000 0.000 0.000) 0.000 15.422 ( 0.000 0.000 0.000) 0.000 15.422 ( 0.000 0.000 0.000) 0.000 15.546 ( 0.000 0.000 0.000) 0.000 15.546 ( 0.000 0.000 0.000) 0.000 16.484 ( 0.000 0.000 0.000) 0.000 16.484 ( 0.000 0.000 0.000) 0.000 16.595 ( 0.000 0.000 0.000) 0.000 16.595 ( 0.000 0.000 0.000) 0.000 16.901 ( 0.000 0.000 0.000) 0.000 16.901 ( 0.000 0.000 0.000) 0.000 17.305 ( 0.000 0.000 0.000) 0.000 17.305 ( 0.000 0.000 0.000) 0.000 17.545 ( 0.000 -0.000 -0.000) 0.000 17.545 ( 0.000 -0.000 0.000) 0.000 17.574 ( 0.000 0.000 0.000) 0.000 17.574 ( 0.000 0.000 0.000) 0.000 19.688 ( 0.000 0.000 0.000) 0.000 19.688 ( 0.000 0.000 0.000) 0.000 20.580 ( 0.000 0.000 0.000) 0.000 20.580 ( 0.000 0.000 0.000) 0.000 21.424 ( 0.000 0.000 0.000) 0.000 21.424 ( 0.000 0.000 0.000) 0.000 21.506 ( 0.000 -0.000 0.000) 0.000 21.506 ( 0.000 0.000 0.000) 0.000 24.427 ( 0.000 0.000 0.000) 0.000 24.427 ( 0.000 0.000 0.000) 0.000 24.668 ( 0.000 0.000 0.000) 0.000 24.668 ( 0.000 0.000 0.000) 0.000 25.652 ( 0.000 0.000 0.000) 0.000 25.652 ( 0.000 0.000 0.000) 0.000 26.006 ( 0.000 0.000 0.000) 0.000 26.006 ( 0.000 0.000 0.000) 0.000 26.361 ( 0.000 0.000 0.000) 0.000 26.361 ( 0.000 0.000 0.000) 0.000 27.100 ( 0.000 0.000 0.000) 0.000 27.100 ( 0.000 0.000 0.000) 0.000 27.469 ( 0.000 0.000 -0.000) 0.000 27.469 ( 0.000 0.000 0.000) 0.000 27.737 ( 0.000 0.000 0.000) 0.000 27.737 ( 0.000 0.000 0.000) 0.000 27.851 ( 0.000 0.000 0.000) 0.000 27.851 ( 0.000 0.000 0.000) 0.000 28.147 ( 0.000 0.000 0.000) 0.000 28.147 ( 0.000 0.000 0.000) 0.000 28.225 ( 0.000 0.000 0.000) 0.000 28.225 ( 0.000 0.000 0.000) 0.000 28.568 ( 0.000 0.000 0.000) 0.000 28.568 ( 0.000 0.000 0.000) 0.000 28.692 ( 0.000 0.000 0.000) 0.000 28.692 ( 0.000 0.000 0.000) 0.000 28.879 ( 0.000 0.000 0.000) 0.000 28.879 ( 0.000 0.000 0.000) 0.000 29.448 ( 0.000 0.000 0.000) 0.000 29.448 ( 0.000 0.000 0.000) 0.000 29.545 ( 0.000 0.000 0.000) 0.000 29.545 ( 0.000 0.000 0.000) 0.000 29.971 ( 0.000 0.000 0.000) 0.000 29.971 ( 0.000 0.000 0.000) 0.000 30.249 ( 0.000 0.000 0.000) 0.000 30.249 ( 0.000 0.000 0.000) 0.000 31.845 ( 0.000 0.000 0.000) 0.000 31.845 ( 0.000 0.000 0.000) 0.000 32.460 ( 0.000 0.000 -0.000) 0.000 32.460 ( 0.000 0.000 0.000) 0.000 32.605 ( 0.000 0.000 -0.000) 0.000 32.605 ( 0.000 -0.000 0.000) 0.000 32.734 ( 0.000 -0.000 0.000) 0.000 32.734 ( 0.000 0.000 0.000) 0.000 33.054 ( 0.000 0.000 0.000) 0.000 33.054 ( 0.000 0.000 0.000) 0.000 33.512 ( 0.000 0.000 0.000) 0.000 33.512 ( 0.000 0.000 0.000) 0.000 33.833 ( 0.000 0.000 0.000) 0.000 33.833 ( 0.000 0.000 0.000) 0.000 34.542 ( 0.000 0.000 0.000) 0.000 34.542 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 193 (62/64) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 5.730 -0.000 0.000) 5.730 1.962 ( 5.730 0.000 0.000) 5.730 2.183 ( -5.820 -0.000 0.000) 5.820 2.183 ( -5.820 0.000 0.000) 5.820 2.256 ( -3.914 0.000 0.000) 3.914 2.256 ( -3.914 0.000 0.000) 3.914 2.633 ( -7.161 -0.000 0.000) 7.161 2.633 ( -7.161 0.000 0.000) 7.161 2.649 ( -0.583 -0.000 -0.000) 0.583 2.649 ( -0.583 0.000 -0.000) 0.583 2.830 ( -6.058 0.000 0.000) 6.058 2.830 ( -6.058 0.000 0.000) 6.058 3.557 ( 7.308 -0.000 -0.000) 7.308 3.557 ( 7.308 0.000 0.000) 7.308 3.569 ( 4.957 0.000 -0.000) 4.957 3.569 ( 4.957 0.000 0.000) 4.957 4.229 ( 1.325 0.000 -0.000) 1.325 4.229 ( 1.325 0.000 0.000) 1.325 4.362 ( -0.598 0.000 0.000) 0.598 4.362 ( -0.598 0.000 0.000) 0.598 4.670 ( 3.242 -0.000 -0.000) 3.242 4.670 ( 3.242 -0.000 0.000) 3.242 4.673 ( 3.846 0.000 -0.000) 3.846 4.673 ( 3.846 0.000 0.000) 3.846 5.123 ( 1.382 0.000 0.000) 1.382 5.123 ( 1.382 0.000 0.000) 1.382 5.266 ( -3.134 0.000 0.000) 3.134 5.266 ( -3.134 0.000 0.000) 3.134 5.884 ( -2.769 0.000 0.000) 2.769 5.884 ( -2.769 0.000 0.000) 2.769 5.939 ( -1.956 -0.000 0.000) 1.956 5.939 ( -1.956 0.000 0.000) 1.956 6.418 ( -0.901 -0.000 -0.000) 0.901 6.418 ( -0.901 0.000 -0.000) 0.901 6.445 ( -6.321 -0.000 0.000) 6.321 6.445 ( -6.321 0.000 0.000) 6.321 7.090 ( -6.406 0.000 0.000) 6.406 7.090 ( -6.406 0.000 0.000) 6.406 7.429 ( -11.970 0.000 -0.000) 11.970 7.429 ( -11.970 0.000 0.000) 11.970 7.739 ( 14.812 0.000 -0.000) 14.812 7.739 ( 14.812 0.000 0.000) 14.812 8.098 ( 13.528 0.000 0.000) 13.528 8.098 ( 13.528 0.000 0.000) 13.528 8.533 ( -2.478 0.000 0.000) 2.478 8.533 ( -2.478 0.000 0.000) 2.478 9.318 ( -5.186 0.000 0.000) 5.186 9.318 ( -5.186 0.000 0.000) 5.186 9.574 ( 6.389 0.000 0.000) 6.389 9.574 ( 6.389 0.000 0.000) 6.389 10.092 ( -5.817 0.000 -0.000) 5.817 10.092 ( -5.817 0.000 0.000) 5.817 10.515 ( 2.007 -0.000 0.000) 2.007 10.515 ( 2.007 0.000 0.000) 2.007 10.521 ( 7.700 -0.000 -0.000) 7.700 10.521 ( 7.700 0.000 -0.000) 7.700 11.019 ( 0.858 -0.000 0.000) 0.858 11.019 ( 0.858 0.000 0.000) 0.858 11.098 ( 7.243 -0.000 -0.000) 7.243 11.098 ( 7.243 0.000 0.000) 7.243 11.852 ( -6.257 0.000 0.000) 6.257 11.852 ( -6.257 0.000 0.000) 6.257 12.053 ( -12.104 0.000 -0.000) 12.104 12.053 ( -12.104 0.000 0.000) 12.104 12.562 ( 4.695 0.000 0.000) 4.695 12.562 ( 4.695 0.000 0.000) 4.695 12.758 ( 8.216 0.000 0.000) 8.216 12.758 ( 8.216 0.000 0.000) 8.216 13.407 ( -2.565 -0.000 -0.000) 2.565 13.407 ( -2.565 -0.000 0.000) 2.565 13.510 ( -1.128 0.000 -0.000) 1.128 13.510 ( -1.128 0.000 0.000) 1.128 14.155 ( -3.496 0.000 0.000) 3.496 14.155 ( -3.496 0.000 0.000) 3.496 14.412 ( -11.325 0.000 0.000) 11.325 14.412 ( -11.325 0.000 0.000) 11.325 14.873 ( 2.283 0.000 0.000) 2.283 14.873 ( 2.283 0.000 0.000) 2.283 15.086 ( -4.151 -0.000 -0.000) 4.151 15.086 ( -4.151 0.000 0.000) 4.151 15.450 ( 2.253 0.000 0.000) 2.253 15.450 ( 2.253 0.000 0.000) 2.253 15.553 ( 0.366 0.000 0.000) 0.366 15.553 ( 0.366 0.000 0.000) 0.366 16.522 ( 3.395 0.000 0.000) 3.395 16.522 ( 3.395 0.000 0.000) 3.395 16.621 ( 2.208 0.000 0.000) 2.208 16.621 ( 2.208 0.000 0.000) 2.208 16.925 ( 2.345 0.000 0.000) 2.345 16.925 ( 2.345 0.000 0.000) 2.345 17.279 ( -2.553 0.000 0.000) 2.553 17.279 ( -2.553 0.000 0.000) 2.553 17.570 ( 2.240 -0.000 -0.000) 2.240 17.570 ( 2.240 0.000 0.000) 2.240 17.604 ( 2.552 0.000 0.000) 2.552 17.604 ( 2.552 0.000 0.000) 2.552 19.769 ( 7.682 0.000 -0.000) 7.682 19.769 ( 7.682 0.000 0.000) 7.682 20.551 ( -2.978 0.000 0.000) 2.978 20.551 ( -2.978 0.000 0.000) 2.978 21.391 ( -2.880 0.000 0.000) 2.880 21.391 ( -2.880 0.000 0.000) 2.880 21.476 ( -2.893 -0.000 0.000) 2.893 21.476 ( -2.893 0.000 0.000) 2.893 24.428 ( 0.215 0.000 0.000) 0.215 24.428 ( 0.215 0.000 0.000) 0.215 24.631 ( -3.238 0.000 0.000) 3.238 24.631 ( -3.238 0.000 0.000) 3.238 25.682 ( 2.801 0.000 0.000) 2.801 25.682 ( 2.801 0.000 0.000) 2.801 25.976 ( -2.298 0.000 0.000) 2.298 25.976 ( -2.298 0.000 0.000) 2.298 26.495 ( 11.782 0.000 0.000) 11.782 26.495 ( 11.782 0.000 0.000) 11.782 27.088 ( -0.883 0.000 0.000) 0.883 27.088 ( -0.883 0.000 0.000) 0.883 27.493 ( 2.122 0.000 0.000) 2.122 27.493 ( 2.122 0.000 0.000) 2.122 27.759 ( 1.654 -0.000 -0.000) 1.654 27.759 ( 1.654 0.000 -0.000) 1.654 27.772 ( -7.462 -0.000 0.000) 7.462 27.772 ( -7.462 0.000 0.000) 7.462 28.131 ( -1.424 -0.000 0.000) 1.424 28.131 ( -1.424 0.000 0.000) 1.424 28.249 ( 2.313 0.000 0.000) 2.313 28.249 ( 2.313 0.000 0.000) 2.313 28.533 ( -3.255 0.000 0.000) 3.255 28.533 ( -3.255 0.000 0.000) 3.255 28.705 ( 1.280 0.000 0.000) 1.280 28.705 ( 1.280 0.000 0.000) 1.280 28.862 ( -1.593 0.000 0.000) 1.593 28.862 ( -1.593 0.000 0.000) 1.593 29.439 ( -0.713 0.000 0.000) 0.713 29.439 ( -0.713 0.000 0.000) 0.713 29.523 ( -2.042 0.000 0.000) 2.042 29.523 ( -2.042 0.000 0.000) 2.042 29.998 ( 2.493 0.000 0.000) 2.493 29.998 ( 2.493 0.000 0.000) 2.493 30.232 ( -1.602 0.000 0.000) 1.602 30.232 ( -1.602 0.000 0.000) 1.602 31.889 ( 4.138 0.000 0.000) 4.138 31.889 ( 4.138 0.000 0.000) 4.138 32.436 ( -2.813 0.000 0.000) 2.813 32.436 ( -2.813 0.000 0.000) 2.813 32.613 ( 0.795 -0.000 -0.000) 0.795 32.613 ( 0.795 0.000 0.000) 0.795 32.690 ( -3.824 -0.000 -0.000) 3.824 32.690 ( -3.824 0.000 0.000) 3.824 32.930 ( -7.379 0.000 0.000) 7.379 32.930 ( -7.379 0.000 0.000) 7.379 33.370 ( -12.298 0.000 0.000) 12.298 33.370 ( -12.298 0.000 0.000) 12.298 34.053 ( 16.696 0.000 0.000) 16.696 34.053 ( 16.696 0.000 0.000) 16.696 34.592 ( 3.660 0.000 0.000) 3.660 34.592 ( 3.660 0.000 0.000) 3.660 ======================= Grid point 197 (63/64) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -2.554 -0.000 0.000) 2.554 1.996 ( -2.554 0.000 0.000) 2.554 2.135 ( -7.494 0.000 0.000) 7.494 2.135 ( -7.494 0.000 0.000) 7.494 2.187 ( 7.088 -0.000 0.000) 7.088 2.187 ( 7.088 0.000 0.000) 7.088 2.479 ( -7.129 -0.000 0.000) 7.129 2.479 ( -7.129 0.000 0.000) 7.129 2.627 ( -1.130 0.000 0.000) 1.130 2.627 ( -1.130 0.000 0.000) 1.130 2.701 ( -5.582 0.000 0.000) 5.582 2.701 ( -5.582 0.000 0.000) 5.582 3.737 ( 10.198 0.000 -0.000) 10.198 3.737 ( 10.198 -0.002 0.002) 10.198 3.740 ( 9.139 -0.000 -0.002) 9.139 3.740 ( 9.139 0.001 0.000) 9.139 4.208 ( -2.162 -0.000 -0.000) 2.162 4.208 ( -2.162 0.000 0.000) 2.162 4.312 ( -3.414 0.000 0.000) 3.414 4.312 ( -3.414 0.000 0.000) 3.414 4.724 ( 0.484 -0.000 0.000) 0.484 4.724 ( 0.484 -0.000 -0.000) 0.484 4.727 ( -0.545 0.000 -0.000) 0.545 4.727 ( -0.545 0.000 0.000) 0.545 5.158 ( 1.699 -0.000 -0.000) 1.699 5.158 ( 1.699 0.000 0.000) 1.699 5.194 ( -2.455 0.000 -0.000) 2.455 5.194 ( -2.455 0.000 0.000) 2.455 5.864 ( 0.812 -0.000 0.000) 0.812 5.864 ( 0.812 0.000 -0.000) 0.812 5.895 ( -1.567 -0.000 0.000) 1.567 5.895 ( -1.567 0.000 0.000) 1.567 6.331 ( -3.746 -0.000 -0.000) 3.746 6.331 ( -3.746 0.000 -0.000) 3.746 6.369 ( -3.603 -0.000 0.000) 3.603 6.369 ( -3.603 0.000 0.000) 3.603 7.033 ( 0.455 0.000 0.000) 0.455 7.033 ( 0.455 0.000 0.000) 0.455 7.216 ( -8.415 0.000 -0.000) 8.415 7.216 ( -8.415 0.000 0.000) 8.415 8.019 ( 12.210 0.000 -0.000) 12.210 8.019 ( 12.210 0.000 0.000) 12.210 8.325 ( 3.240 0.000 0.000) 3.240 8.325 ( 3.240 0.000 0.000) 3.240 8.519 ( 6.504 0.000 0.000) 6.504 8.519 ( 6.504 0.000 0.000) 6.504 9.115 ( -14.198 0.000 0.000) 14.198 9.115 ( -14.198 0.000 0.000) 14.198 9.733 ( 8.637 0.000 0.000) 8.637 9.733 ( 8.637 0.000 0.000) 8.637 10.008 ( -3.508 0.000 -0.000) 3.508 10.008 ( -3.508 0.000 0.000) 3.508 10.554 ( 2.746 0.000 0.000) 2.746 10.554 ( 2.746 0.000 0.000) 2.746 10.657 ( 3.118 -0.000 0.000) 3.118 10.657 ( 3.118 0.000 0.000) 3.118 11.101 ( 8.599 0.000 0.000) 8.599 11.101 ( 8.599 0.000 0.000) 8.599 11.275 ( 9.069 0.000 0.000) 9.069 11.275 ( 9.069 0.000 0.000) 9.069 11.676 ( -10.495 0.000 0.000) 10.495 11.676 ( -10.495 0.000 0.000) 10.495 11.792 ( -12.706 0.000 -0.000) 12.706 11.792 ( -12.706 0.000 0.000) 12.706 12.695 ( 8.014 0.000 -0.000) 8.014 12.695 ( 8.014 0.000 0.000) 8.014 12.893 ( 3.510 0.000 0.000) 3.510 12.893 ( 3.510 0.000 0.000) 3.510 13.350 ( -1.905 -0.000 -0.000) 1.905 13.350 ( -1.905 -0.000 0.000) 1.905 13.465 ( -3.559 0.000 -0.000) 3.559 13.465 ( -3.559 0.000 0.000) 3.559 14.084 ( -2.664 -0.000 0.000) 2.664 14.084 ( -2.664 0.000 -0.000) 2.664 14.190 ( -9.040 -0.000 0.000) 9.040 14.190 ( -9.040 0.000 0.000) 9.040 14.905 ( 1.097 -0.000 0.000) 1.097 14.905 ( 1.097 0.000 0.000) 1.097 14.997 ( -4.052 -0.000 -0.000) 4.052 14.997 ( -4.052 0.000 -0.000) 4.052 15.497 ( 2.110 -0.000 -0.000) 2.110 15.497 ( 2.110 0.000 0.000) 2.110 15.551 ( -0.573 0.000 0.000) 0.573 15.551 ( -0.573 0.000 0.000) 0.573 16.600 ( 3.749 -0.000 0.000) 3.749 16.600 ( 3.749 0.000 0.000) 3.749 16.661 ( 1.209 -0.000 0.000) 1.209 16.661 ( 1.209 0.000 0.000) 1.209 16.996 ( 4.554 0.000 0.000) 4.554 16.996 ( 4.554 0.000 0.000) 4.554 17.205 ( -4.620 0.000 0.000) 4.620 17.205 ( -4.620 0.000 0.000) 4.620 17.622 ( 2.557 -0.000 -0.000) 2.557 17.622 ( 2.557 0.000 0.000) 2.557 17.652 ( 1.643 -0.000 0.000) 1.643 17.652 ( 1.643 0.000 0.000) 1.643 19.981 ( 12.481 -0.000 -0.000) 12.481 19.981 ( 12.481 0.000 0.000) 12.481 20.447 ( -7.620 0.000 0.000) 7.620 20.447 ( -7.620 0.000 0.000) 7.620 21.335 ( -1.895 0.000 0.000) 1.895 21.335 ( -1.895 0.000 0.000) 1.895 21.401 ( -3.999 -0.000 0.000) 3.999 21.401 ( -3.999 0.000 0.000) 3.999 24.443 ( 1.441 0.000 0.000) 1.441 24.443 ( 1.441 0.000 0.000) 1.441 24.556 ( -3.807 0.000 0.000) 3.807 24.556 ( -3.807 0.000 0.000) 3.807 25.756 ( 4.210 0.000 -0.000) 4.210 25.756 ( 4.210 0.000 0.000) 4.210 25.921 ( -3.201 0.000 0.000) 3.201 25.921 ( -3.201 0.000 0.000) 3.201 26.780 ( 14.903 0.000 0.000) 14.903 26.780 ( 14.903 0.000 0.000) 14.903 27.079 ( -0.040 -0.000 0.000) 0.040 27.079 ( -0.040 0.000 0.000) 0.040 27.501 ( -2.654 -0.000 0.000) 2.654 27.501 ( -2.654 0.000 0.000) 2.654 27.583 ( -9.658 0.000 0.000) 9.658 27.583 ( -9.658 0.000 0.000) 9.658 27.823 ( 5.663 0.000 0.000) 5.663 27.823 ( 5.663 0.000 0.000) 5.663 28.082 ( -3.811 -0.000 0.000) 3.811 28.082 ( -3.811 0.000 0.000) 3.811 28.310 ( 3.400 0.000 -0.000) 3.400 28.310 ( 3.400 0.000 0.000) 3.400 28.453 ( -4.128 0.000 0.000) 4.128 28.453 ( -4.128 0.000 0.000) 4.128 28.740 ( 1.987 0.000 0.000) 1.987 28.740 ( 1.987 0.000 0.000) 1.987 28.822 ( -2.167 0.000 0.000) 2.167 28.822 ( -2.167 0.000 0.000) 2.167 29.427 ( -0.261 -0.000 0.000) 0.261 29.427 ( -0.261 0.000 0.000) 0.261 29.474 ( -2.460 -0.000 0.000) 2.460 29.474 ( -2.460 0.000 0.000) 2.460 30.061 ( 3.462 0.000 0.000) 3.462 30.061 ( 3.462 0.000 0.000) 3.462 30.188 ( -2.567 0.000 0.000) 2.567 30.188 ( -2.567 0.000 0.000) 2.567 32.004 ( 6.964 -0.000 0.000) 6.964 32.004 ( 6.964 0.000 0.000) 6.964 32.326 ( -7.623 0.000 0.000) 7.623 32.326 ( -7.623 0.000 0.000) 7.623 32.634 ( 1.077 -0.000 -0.000) 1.077 32.634 ( 1.077 -0.000 0.000) 1.077 32.639 ( -0.332 -0.000 -0.000) 0.332 32.639 ( -0.332 0.000 0.000) 0.332 32.840 ( -1.584 0.000 0.000) 1.584 32.840 ( -1.584 0.000 0.000) 1.584 33.092 ( -13.330 0.000 0.000) 13.330 33.092 ( -13.330 0.000 0.000) 13.330 34.376 ( 13.614 -0.000 0.000) 13.614 34.376 ( 13.614 0.000 0.000) 13.614 34.640 ( 0.238 -0.000 0.000) 0.238 34.640 ( 0.238 0.000 0.000) 0.238 ======================= Grid point 201 (64/64) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -0.449 -18.108 0.000) 18.113 2.003 ( -0.448 -18.108 0.000) 18.113 2.003 ( 0.449 18.108 0.000) 18.113 2.003 ( 0.449 18.108 0.000) 18.113 2.341 ( -3.746 -4.838 -0.000) 6.119 2.341 ( -3.746 -4.838 0.000) 6.119 2.341 ( 3.746 4.838 0.000) 6.119 2.341 ( 3.746 4.838 0.000) 6.119 2.627 ( -0.308 -3.911 0.000) 3.923 2.627 ( -0.308 -3.911 0.000) 3.923 2.627 ( 0.308 3.911 0.000) 3.923 2.627 ( 0.308 3.911 0.000) 3.923 3.859 ( -0.050 -6.412 -0.000) 6.412 3.859 ( -0.050 -6.412 0.000) 6.412 3.859 ( 0.050 6.412 0.000) 6.412 3.859 ( 0.050 6.412 0.000) 6.412 4.226 ( -2.927 -2.112 -0.000) 3.609 4.226 ( -2.927 -2.112 0.000) 3.609 4.226 ( 2.927 2.112 0.000) 3.609 4.226 ( 2.927 2.112 0.000) 3.609 4.701 ( -0.027 -6.448 0.000) 6.448 4.701 ( -0.027 -6.448 0.000) 6.448 4.701 ( 0.027 6.448 0.000) 6.448 4.701 ( 0.027 6.448 0.000) 6.448 5.178 ( -0.012 -2.287 0.000) 2.287 5.178 ( -0.012 -2.287 0.000) 2.287 5.178 ( 0.012 2.287 0.000) 2.287 5.178 ( 0.012 2.287 0.000) 2.287 5.883 ( -0.023 -3.236 0.000) 3.236 5.883 ( -0.023 -3.236 0.000) 3.236 5.883 ( 0.023 3.236 0.000) 3.236 5.883 ( 0.023 3.236 0.000) 3.236 6.307 ( -0.166 -6.161 0.000) 6.163 6.307 ( -0.166 -6.161 0.000) 6.163 6.307 ( 0.166 6.161 -0.000) 6.163 6.307 ( 0.166 6.161 0.000) 6.163 7.087 ( -1.474 -6.200 0.000) 6.373 7.087 ( -1.474 -6.200 0.000) 6.373 7.087 ( 1.474 6.200 0.000) 6.373 7.087 ( 1.474 6.200 0.000) 6.373 8.230 ( -6.356 -2.492 0.000) 6.827 8.230 ( -6.356 -2.492 0.000) 6.827 8.230 ( 6.356 2.492 0.000) 6.827 8.230 ( 6.356 2.492 0.000) 6.827 8.793 ( -9.676 -8.813 0.000) 13.088 8.793 ( -9.676 -8.813 0.000) 13.088 8.793 ( 9.676 8.813 0.000) 13.088 8.793 ( 9.676 8.813 0.000) 13.088 9.901 ( -5.087 -2.592 0.000) 5.709 9.901 ( -5.087 -2.592 0.000) 5.709 9.901 ( 5.087 2.592 0.000) 5.709 9.901 ( 5.087 2.592 0.000) 5.709 10.633 ( -3.250 -0.881 0.000) 3.368 10.633 ( -3.250 -0.881 0.000) 3.368 10.633 ( 3.250 0.881 0.000) 3.368 10.633 ( 3.250 0.881 0.000) 3.368 11.327 ( -6.974 -3.000 0.000) 7.592 11.327 ( -6.974 -3.000 0.000) 7.592 11.327 ( 6.974 3.000 0.000) 7.592 11.327 ( 6.974 3.000 0.000) 7.592 11.572 ( -5.250 -1.599 -0.000) 5.488 11.572 ( -5.250 -1.599 0.000) 5.488 11.572 ( 5.250 1.599 0.000) 5.488 11.572 ( 5.250 1.599 0.000) 5.488 12.856 ( -3.711 -3.868 0.000) 5.360 12.856 ( -3.711 -3.868 0.000) 5.360 12.856 ( 3.711 3.868 0.000) 5.360 12.856 ( 3.711 3.868 0.000) 5.360 13.376 ( -1.187 -6.682 0.000) 6.787 13.376 ( -1.187 -6.682 0.000) 6.787 13.376 ( 1.187 6.682 0.000) 6.787 13.376 ( 1.187 6.682 0.000) 6.787 14.075 ( -0.145 -17.804 0.000) 17.804 14.075 ( -0.145 -17.804 0.000) 17.804 14.075 ( 0.145 17.804 0.000) 17.804 14.075 ( 0.145 17.804 0.000) 17.804 14.934 ( -0.129 -16.979 0.000) 16.979 14.934 ( -0.129 -16.979 0.000) 16.979 14.934 ( 0.129 16.979 0.000) 16.979 14.934 ( 0.129 16.979 0.000) 16.979 15.532 ( -0.816 -0.680 0.000) 1.062 15.532 ( -0.816 -0.680 0.000) 1.062 15.532 ( 0.816 0.680 0.000) 1.062 15.532 ( 0.816 0.680 0.000) 1.062 16.657 ( -0.647 -1.762 0.000) 1.877 16.657 ( -0.647 -1.762 0.000) 1.877 16.657 ( 0.647 1.762 0.000) 1.877 16.657 ( 0.647 1.762 0.000) 1.877 17.100 ( -2.865 -3.710 0.000) 4.688 17.100 ( -2.865 -3.710 0.000) 4.688 17.100 ( 2.865 3.710 0.000) 4.688 17.100 ( 2.865 3.710 0.000) 4.688 17.660 ( -0.028 -14.334 0.000) 14.334 17.660 ( -0.028 -14.334 0.000) 14.334 17.660 ( 0.028 14.334 0.000) 14.334 17.660 ( 0.028 14.334 0.000) 14.334 20.241 ( -6.119 -9.157 0.000) 11.013 20.241 ( -6.119 -9.157 0.000) 11.013 20.241 ( 6.119 9.157 0.000) 11.013 20.241 ( 6.119 9.157 0.000) 11.013 21.335 ( -0.166 -11.656 0.000) 11.657 21.335 ( -0.166 -11.656 0.000) 11.657 21.335 ( 0.166 11.656 0.000) 11.657 21.335 ( 0.166 11.656 0.000) 11.657 24.487 ( -1.939 -1.108 0.000) 2.233 24.487 ( -1.939 -1.108 0.000) 2.233 24.487 ( 1.939 1.108 0.000) 2.233 24.487 ( 1.939 1.108 0.000) 2.233 25.844 ( -2.727 -2.008 0.000) 3.386 25.844 ( -2.727 -2.008 0.000) 3.386 25.844 ( 2.727 2.008 0.000) 3.386 25.844 ( 2.727 2.008 0.000) 3.386 27.028 ( -2.260 -10.989 0.000) 11.219 27.028 ( -2.260 -10.989 0.000) 11.219 27.028 ( 2.260 10.989 0.000) 11.219 27.028 ( 2.260 10.989 0.000) 11.219 27.452 ( -0.579 -1.393 0.000) 1.509 27.452 ( -0.579 -1.393 0.000) 1.509 27.452 ( 0.579 1.393 0.000) 1.509 27.452 ( 0.579 1.393 0.000) 1.509 27.967 ( -7.201 -0.019 0.000) 7.201 27.967 ( -7.201 -0.019 0.000) 7.201 27.967 ( 7.201 0.019 0.000) 7.201 27.967 ( 7.201 0.019 0.000) 7.201 28.378 ( -2.699 -0.701 -0.000) 2.789 28.378 ( -2.699 -0.701 0.000) 2.789 28.378 ( 2.699 0.701 0.000) 2.789 28.378 ( 2.699 0.701 0.000) 2.789 28.780 ( -1.112 -1.191 0.000) 1.629 28.780 ( -1.112 -1.191 0.000) 1.629 28.780 ( 1.112 1.191 0.000) 1.629 28.780 ( 1.112 1.191 0.000) 1.629 29.435 ( -0.117 -5.508 0.000) 5.509 29.435 ( -0.117 -5.508 0.000) 5.509 29.435 ( 0.117 5.508 0.000) 5.509 29.435 ( 0.117 5.508 0.000) 5.509 30.130 ( -1.220 -3.541 0.000) 3.745 30.130 ( -1.220 -3.541 0.000) 3.745 30.130 ( 1.220 3.541 0.000) 3.745 30.130 ( 1.220 3.541 0.000) 3.745 32.161 ( -2.421 -12.627 0.000) 12.857 32.161 ( -2.421 -12.627 0.000) 12.857 32.161 ( 2.421 12.627 0.000) 12.857 32.161 ( 2.421 12.627 0.000) 12.857 32.647 ( -0.001 -2.858 0.000) 2.858 32.647 ( -0.001 -2.858 0.000) 2.858 32.647 ( 0.001 2.858 -0.000) 2.858 32.647 ( 0.001 2.858 0.000) 2.858 32.882 ( -2.750 -6.141 0.000) 6.728 32.882 ( -2.750 -6.141 0.000) 6.728 32.882 ( 2.750 6.141 0.000) 6.728 32.882 ( 2.750 6.141 0.000) 6.728 34.580 ( -1.442 -13.418 0.000) 13.495 34.580 ( -1.442 -13.418 0.000) 13.495 34.580 ( 1.442 13.418 0.000) 13.495 34.580 ( 1.442 13.418 0.000) 13.495 =================== 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 3/33696 10.0 989.340 1172.307 1464.538 0.000 0.000 -0.000 3/33696 20.0 132.352 158.149 186.942 0.000 0.000 -0.000 3/33696 30.0 45.887 59.307 63.225 0.000 0.000 -0.000 3/33696 40.0 24.141 32.171 32.802 0.000 0.000 -0.000 3/33696 50.0 15.761 21.373 21.214 0.000 0.000 -0.000 3/33696 60.0 11.629 16.005 15.536 0.000 0.000 -0.000 3/33696 70.0 9.244 12.913 12.287 0.000 0.000 -0.000 3/33696 80.0 7.712 10.936 10.222 0.000 0.000 -0.000 3/33696 90.0 6.650 9.571 8.806 0.000 0.000 -0.000 3/33696 100.0 5.870 8.570 7.778 0.000 0.000 -0.000 3/33696 110.0 5.272 7.802 6.995 0.000 0.000 -0.000 3/33696 120.0 4.798 7.191 6.378 0.000 0.000 -0.000 3/33696 130.0 4.411 6.689 5.876 0.000 0.000 -0.000 3/33696 140.0 4.089 6.269 5.457 0.000 0.000 -0.000 3/33696 150.0 3.816 5.909 5.102 0.000 0.000 -0.000 3/33696 160.0 3.581 5.596 4.795 0.000 0.000 -0.000 3/33696 170.0 3.375 5.320 4.527 0.000 0.000 -0.000 3/33696 180.0 3.194 5.074 4.290 0.000 0.000 -0.000 3/33696 190.0 3.034 4.853 4.078 0.000 0.000 -0.000 3/33696 200.0 2.889 4.653 3.888 0.000 0.000 -0.000 3/33696 210.0 2.759 4.470 3.715 0.000 0.000 -0.000 3/33696 220.0 2.641 4.302 3.559 0.000 0.000 -0.000 3/33696 230.0 2.533 4.148 3.415 0.000 0.000 -0.000 3/33696 240.0 2.434 4.005 3.283 0.000 0.000 -0.000 3/33696 250.0 2.343 3.872 3.162 0.000 0.000 -0.000 3/33696 260.0 2.258 3.748 3.049 0.000 0.000 -0.000 3/33696 270.0 2.180 3.632 2.945 0.000 0.000 -0.000 3/33696 280.0 2.107 3.523 2.847 0.000 0.000 -0.000 3/33696 290.0 2.040 3.421 2.756 0.000 0.000 -0.000 3/33696 300.0 1.976 3.324 2.671 0.000 0.000 -0.000 3/33696 310.0 1.917 3.234 2.591 0.000 0.000 -0.000 3/33696 320.0 1.861 3.148 2.516 0.000 0.000 -0.000 3/33696 330.0 1.808 3.066 2.445 0.000 0.000 -0.000 3/33696 340.0 1.758 2.989 2.378 0.000 0.000 -0.000 3/33696 350.0 1.711 2.915 2.315 0.000 0.000 -0.000 3/33696 360.0 1.667 2.845 2.255 0.000 0.000 -0.000 3/33696 370.0 1.625 2.779 2.199 0.000 0.000 -0.000 3/33696 380.0 1.585 2.715 2.145 0.000 0.000 -0.000 3/33696 390.0 1.547 2.655 2.093 0.000 0.000 -0.000 3/33696 400.0 1.511 2.597 2.045 0.000 0.000 -0.000 3/33696 410.0 1.476 2.541 1.998 0.000 0.000 -0.000 3/33696 420.0 1.443 2.488 1.953 0.000 0.000 -0.000 3/33696 430.0 1.412 2.437 1.911 0.000 0.000 -0.000 3/33696 440.0 1.381 2.388 1.870 0.000 0.000 -0.000 3/33696 450.0 1.353 2.341 1.831 0.000 0.000 -0.000 3/33696 460.0 1.325 2.295 1.794 0.000 0.000 -0.000 3/33696 470.0 1.298 2.252 1.758 0.000 0.000 -0.000 3/33696 480.0 1.273 2.210 1.724 0.000 0.000 -0.000 3/33696 490.0 1.248 2.169 1.690 0.000 0.000 -0.000 3/33696 500.0 1.225 2.130 1.659 0.000 0.000 -0.000 3/33696 510.0 1.202 2.093 1.628 0.000 0.000 -0.000 3/33696 520.0 1.180 2.056 1.598 0.000 0.000 -0.000 3/33696 530.0 1.159 2.021 1.570 0.000 0.000 -0.000 3/33696 540.0 1.139 1.987 1.542 0.000 0.000 -0.000 3/33696 550.0 1.119 1.954 1.516 0.000 0.000 -0.000 3/33696 560.0 1.100 1.922 1.490 0.000 0.000 -0.000 3/33696 570.0 1.082 1.892 1.465 0.000 0.000 -0.000 3/33696 580.0 1.064 1.862 1.441 0.000 0.000 -0.000 3/33696 590.0 1.047 1.833 1.418 0.000 0.000 -0.000 3/33696 600.0 1.030 1.805 1.396 0.000 0.000 -0.000 3/33696 610.0 1.014 1.778 1.374 0.000 0.000 -0.000 3/33696 620.0 0.999 1.751 1.353 0.000 0.000 -0.000 3/33696 630.0 0.984 1.725 1.332 0.000 0.000 -0.000 3/33696 640.0 0.969 1.701 1.313 0.000 0.000 -0.000 3/33696 650.0 0.955 1.676 1.293 0.000 0.000 -0.000 3/33696 660.0 0.941 1.653 1.275 0.000 0.000 -0.000 3/33696 670.0 0.927 1.630 1.256 0.000 0.000 -0.000 3/33696 680.0 0.914 1.608 1.239 0.000 0.000 -0.000 3/33696 690.0 0.902 1.586 1.221 0.000 0.000 -0.000 3/33696 700.0 0.889 1.565 1.205 0.000 0.000 -0.000 3/33696 710.0 0.877 1.544 1.189 0.000 0.000 -0.000 3/33696 720.0 0.866 1.524 1.173 0.000 0.000 -0.000 3/33696 730.0 0.854 1.504 1.157 0.000 0.000 -0.000 3/33696 740.0 0.843 1.485 1.142 0.000 0.000 -0.000 3/33696 750.0 0.832 1.467 1.128 0.000 0.000 -0.000 3/33696 760.0 0.822 1.449 1.113 0.000 0.000 -0.000 3/33696 770.0 0.811 1.431 1.099 0.000 0.000 -0.000 3/33696 780.0 0.801 1.414 1.086 0.000 0.000 -0.000 3/33696 790.0 0.792 1.397 1.073 0.000 0.000 -0.000 3/33696 800.0 0.782 1.380 1.060 0.000 0.000 -0.000 3/33696 810.0 0.773 1.364 1.047 0.000 0.000 -0.000 3/33696 820.0 0.764 1.349 1.035 0.000 0.000 -0.000 3/33696 830.0 0.755 1.333 1.023 0.000 0.000 -0.000 3/33696 840.0 0.746 1.318 1.011 0.000 0.000 -0.000 3/33696 850.0 0.738 1.303 1.000 0.000 0.000 -0.000 3/33696 860.0 0.729 1.289 0.988 0.000 0.000 -0.000 3/33696 870.0 0.721 1.275 0.977 0.000 0.000 -0.000 3/33696 880.0 0.713 1.261 0.967 0.000 0.000 -0.000 3/33696 890.0 0.705 1.248 0.956 0.000 0.000 -0.000 3/33696 900.0 0.698 1.234 0.946 0.000 0.000 -0.000 3/33696 910.0 0.690 1.222 0.936 0.000 0.000 -0.000 3/33696 920.0 0.683 1.209 0.926 0.000 0.000 -0.000 3/33696 930.0 0.676 1.196 0.916 0.000 0.000 -0.000 3/33696 940.0 0.669 1.184 0.907 0.000 0.000 -0.000 3/33696 950.0 0.662 1.172 0.897 0.000 0.000 -0.000 3/33696 960.0 0.656 1.161 0.888 0.000 0.000 -0.000 3/33696 970.0 0.649 1.149 0.880 0.000 0.000 -0.000 3/33696 980.0 0.643 1.138 0.871 0.000 0.000 -0.000 3/33696 990.0 0.636 1.127 0.862 0.000 0.000 -0.000 3/33696 1000.0 0.630 1.116 0.854 0.000 0.000 -0.000 3/33696 Thermal conductivity related properties were written into "kappa-m666.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:25:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|