----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:02:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.241797903278265 0.000000000000000 0.000000000000000 b 0.000000000000000 17.886236609999997 0.000000000000000 c -3.829541444881736 0.000000000000000 6.427181857387221 Atomic positions (fractional): *1 K 0.40768325711881 0.11775150708962 0.85057263908472 39.098 2 K 0.40768325711881 0.38224849291038 0.35057263908472 39.098 *3 K 0.85411462129090 0.54225245819944 0.21234103394858 39.098 4 K 0.85411462129090 0.95774754180056 0.71234103394858 39.098 5 K 0.14588537870910 0.04225245819944 0.28765896605142 39.098 6 K 0.59231674288119 0.61775150708962 0.64942736091528 39.098 7 K 0.59231674288119 0.88224849291038 0.14942736091528 39.098 8 K 0.14588537870910 0.45774754180056 0.78765896605142 39.098 *9 Cu 0.89377338518014 0.77585773938212 0.93893178018672 63.546 10 Cu 0.10622661481986 0.22414226061788 0.06106821981328 63.546 11 Cu 0.10622661481986 0.27585773938212 0.56106821981328 63.546 12 Cu 0.89377338518014 0.72414226061788 0.43893178018672 63.546 *13 Sb 0.26570969575750 0.82142609026526 0.49856072958798 121.760 14 Sb 0.73429030424250 0.32142609026526 0.00143927041202 121.760 15 Sb 0.73429030424250 0.17857390973474 0.50143927041202 121.760 16 Sb 0.26570969575750 0.67857390973474 0.99856072958798 121.760 *17 S 0.66137396429004 0.43705052693786 0.81391251008994 32.065 *18 S 0.09848871455765 0.62734047450810 0.64821717083381 32.065 19 S 0.66137396429004 0.06294947306214 0.31391251008993 32.065 20 S 0.33862603570996 0.56294947306214 0.18608748991006 32.065 *21 S 0.70881689027451 0.78882842063150 0.59198537394230 32.065 22 S 0.90151128544235 0.12734047450810 0.85178282916619 32.065 23 S 0.09848871455765 0.87265952549190 0.14821717083381 32.065 24 S 0.70881689027451 0.71117157936850 0.09198537394230 32.065 25 S 0.33862603570996 0.93705052693786 0.68608748991006 32.065 26 S 0.29118310972549 0.21117157936850 0.40801462605770 32.065 27 S 0.90151128544235 0.37265952549190 0.35178282916620 32.065 28 S 0.29118310972549 0.28882842063150 0.90801462605770 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.241797903278265 0.000000000000000 0.000000000000000 b 0.000000000000000 17.886236609999997 0.000000000000000 c -3.829541444881736 0.000000000000000 6.427181857387221 Atomic positions (fractional): *1 K 0.40768325711881 0.11775150708962 0.85057263908472 39.098 > 1 2 K 0.40768325711881 0.38224849291038 0.35057263908472 39.098 > 2 *3 K 0.85411462129090 0.54225245819944 0.21234103394858 39.098 > 3 4 K 0.85411462129090 0.95774754180056 0.71234103394858 39.098 > 4 5 K 0.14588537870910 0.04225245819944 0.28765896605142 39.098 > 5 6 K 0.59231674288119 0.61775150708962 0.64942736091528 39.098 > 6 7 K 0.59231674288119 0.88224849291038 0.14942736091528 39.098 > 7 8 K 0.14588537870910 0.45774754180056 0.78765896605142 39.098 > 8 *9 Cu 0.89377338518014 0.77585773938212 0.93893178018672 63.546 > 9 10 Cu 0.10622661481986 0.22414226061788 0.06106821981328 63.546 > 10 11 Cu 0.10622661481986 0.27585773938212 0.56106821981328 63.546 > 11 12 Cu 0.89377338518014 0.72414226061788 0.43893178018672 63.546 > 12 *13 Sb 0.26570969575750 0.82142609026526 0.49856072958798 121.760 > 13 14 Sb 0.73429030424250 0.32142609026526 0.00143927041202 121.760 > 14 15 Sb 0.73429030424250 0.17857390973474 0.50143927041202 121.760 > 15 16 Sb 0.26570969575750 0.67857390973474 0.99856072958798 121.760 > 16 *17 S 0.66137396429004 0.43705052693786 0.81391251008994 32.065 > 17 *18 S 0.09848871455765 0.62734047450810 0.64821717083381 32.065 > 18 19 S 0.66137396429004 0.06294947306214 0.31391251008993 32.065 > 19 20 S 0.33862603570996 0.56294947306214 0.18608748991006 32.065 > 20 *21 S 0.70881689027451 0.78882842063150 0.59198537394230 32.065 > 21 22 S 0.90151128544235 0.12734047450810 0.85178282916619 32.065 > 22 23 S 0.09848871455765 0.87265952549190 0.14821717083381 32.065 > 23 24 S 0.70881689027451 0.71117157936850 0.09198537394230 32.065 > 24 25 S 0.33862603570996 0.93705052693786 0.68608748991006 32.065 > 25 26 S 0.29118310972549 0.21117157936850 0.40801462605770 32.065 > 26 27 S 0.90151128544235 0.37265952549190 0.35178282916620 32.065 > 27 28 S 0.29118310972549 0.28882842063150 0.90801462605770 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.483595806556529 0.000000000000000 0.000000000000000 b 0.000000000000000 17.886236609999997 0.000000000000000 c -7.659082889763472 0.000000000000000 12.854363714774442 Atomic positions (fractional): *1 K 0.20384162855940 0.11775150708962 0.42528631954236 39.098 > 1 2 K 0.70384162855940 0.11775150708962 0.42528631954236 39.098 > 1 3 K 0.20384162855940 0.11775150708962 0.92528631954236 39.098 > 1 4 K 0.70384162855940 0.11775150708962 0.92528631954236 39.098 > 1 5 K 0.20384162855940 0.38224849291038 0.17528631954236 39.098 > 2 6 K 0.70384162855940 0.38224849291038 0.17528631954236 39.098 > 2 7 K 0.20384162855940 0.38224849291038 0.67528631954236 39.098 > 2 8 K 0.70384162855940 0.38224849291038 0.67528631954236 39.098 > 2 *9 K 0.42705731064545 0.54225245819944 0.10617051697429 39.098 > 3 10 K 0.92705731064545 0.54225245819944 0.10617051697429 39.098 > 3 11 K 0.42705731064545 0.54225245819944 0.60617051697429 39.098 > 3 12 K 0.92705731064545 0.54225245819944 0.60617051697429 39.098 > 3 13 K 0.42705731064545 0.95774754180056 0.35617051697429 39.098 > 4 14 K 0.92705731064545 0.95774754180056 0.35617051697429 39.098 > 4 15 K 0.42705731064545 0.95774754180056 0.85617051697429 39.098 > 4 16 K 0.92705731064545 0.95774754180056 0.85617051697429 39.098 > 4 17 K 0.07294268935455 0.04225245819944 0.14382948302571 39.098 > 5 18 K 0.57294268935455 0.04225245819944 0.14382948302571 39.098 > 5 19 K 0.07294268935455 0.04225245819944 0.64382948302571 39.098 > 5 20 K 0.57294268935455 0.04225245819944 0.64382948302571 39.098 > 5 21 K 0.29615837144060 0.61775150708962 0.32471368045764 39.098 > 6 22 K 0.79615837144060 0.61775150708962 0.32471368045764 39.098 > 6 23 K 0.29615837144060 0.61775150708962 0.82471368045764 39.098 > 6 24 K 0.79615837144060 0.61775150708962 0.82471368045764 39.098 > 6 25 K 0.29615837144060 0.88224849291038 0.07471368045764 39.098 > 7 26 K 0.79615837144060 0.88224849291038 0.07471368045764 39.098 > 7 27 K 0.29615837144060 0.88224849291038 0.57471368045764 39.098 > 7 28 K 0.79615837144060 0.88224849291038 0.57471368045764 39.098 > 7 29 K 0.07294268935455 0.45774754180056 0.39382948302571 39.098 > 8 30 K 0.57294268935455 0.45774754180056 0.39382948302571 39.098 > 8 31 K 0.07294268935455 0.45774754180056 0.89382948302571 39.098 > 8 32 K 0.57294268935455 0.45774754180056 0.89382948302571 39.098 > 8 *33 Cu 0.44688669259007 0.77585773938212 0.46946589009336 63.546 > 9 34 Cu 0.94688669259007 0.77585773938212 0.46946589009336 63.546 > 9 35 Cu 0.44688669259007 0.77585773938212 0.96946589009336 63.546 > 9 36 Cu 0.94688669259007 0.77585773938212 0.96946589009336 63.546 > 9 37 Cu 0.05311330740993 0.22414226061788 0.03053410990664 63.546 > 10 38 Cu 0.55311330740993 0.22414226061788 0.03053410990664 63.546 > 10 39 Cu 0.05311330740993 0.22414226061788 0.53053410990664 63.546 > 10 40 Cu 0.55311330740993 0.22414226061788 0.53053410990664 63.546 > 10 41 Cu 0.05311330740993 0.27585773938212 0.28053410990664 63.546 > 11 42 Cu 0.55311330740993 0.27585773938212 0.28053410990664 63.546 > 11 43 Cu 0.05311330740993 0.27585773938212 0.78053410990664 63.546 > 11 44 Cu 0.55311330740993 0.27585773938212 0.78053410990664 63.546 > 11 45 Cu 0.44688669259007 0.72414226061788 0.21946589009336 63.546 > 12 46 Cu 0.94688669259007 0.72414226061788 0.21946589009336 63.546 > 12 47 Cu 0.44688669259007 0.72414226061788 0.71946589009336 63.546 > 12 48 Cu 0.94688669259007 0.72414226061788 0.71946589009336 63.546 > 12 *49 Sb 0.13285484787875 0.82142609026526 0.24928036479399 121.760 > 13 50 Sb 0.63285484787875 0.82142609026526 0.24928036479399 121.760 > 13 51 Sb 0.13285484787875 0.82142609026526 0.74928036479399 121.760 > 13 52 Sb 0.63285484787875 0.82142609026526 0.74928036479399 121.760 > 13 53 Sb 0.36714515212125 0.32142609026526 0.00071963520601 121.760 > 14 54 Sb 0.86714515212125 0.32142609026526 0.00071963520601 121.760 > 14 55 Sb 0.36714515212125 0.32142609026526 0.50071963520601 121.760 > 14 56 Sb 0.86714515212125 0.32142609026526 0.50071963520601 121.760 > 14 57 Sb 0.36714515212125 0.17857390973474 0.25071963520601 121.760 > 15 58 Sb 0.86714515212125 0.17857390973474 0.25071963520601 121.760 > 15 59 Sb 0.36714515212125 0.17857390973474 0.75071963520601 121.760 > 15 60 Sb 0.86714515212125 0.17857390973474 0.75071963520601 121.760 > 15 61 Sb 0.13285484787875 0.67857390973474 0.49928036479399 121.760 > 16 62 Sb 0.63285484787875 0.67857390973474 0.49928036479399 121.760 > 16 63 Sb 0.13285484787875 0.67857390973474 0.99928036479399 121.760 > 16 64 Sb 0.63285484787875 0.67857390973474 0.99928036479399 121.760 > 16 *65 S 0.33068698214502 0.43705052693786 0.40695625504497 32.065 > 17 66 S 0.83068698214502 0.43705052693786 0.40695625504497 32.065 > 17 67 S 0.33068698214502 0.43705052693786 0.90695625504497 32.065 > 17 68 S 0.83068698214502 0.43705052693786 0.90695625504497 32.065 > 17 *69 S 0.04924435727882 0.62734047450810 0.32410858541690 32.065 > 18 70 S 0.54924435727882 0.62734047450810 0.32410858541690 32.065 > 18 71 S 0.04924435727882 0.62734047450810 0.82410858541690 32.065 > 18 72 S 0.54924435727882 0.62734047450810 0.82410858541690 32.065 > 18 73 S 0.33068698214502 0.06294947306214 0.15695625504497 32.065 > 19 74 S 0.83068698214502 0.06294947306214 0.15695625504497 32.065 > 19 75 S 0.33068698214502 0.06294947306214 0.65695625504497 32.065 > 19 76 S 0.83068698214502 0.06294947306214 0.65695625504497 32.065 > 19 77 S 0.16931301785498 0.56294947306214 0.09304374495503 32.065 > 20 78 S 0.66931301785498 0.56294947306214 0.09304374495503 32.065 > 20 79 S 0.16931301785498 0.56294947306214 0.59304374495503 32.065 > 20 80 S 0.66931301785498 0.56294947306214 0.59304374495503 32.065 > 20 *81 S 0.35440844513725 0.78882842063150 0.29599268697115 32.065 > 21 82 S 0.85440844513725 0.78882842063150 0.29599268697115 32.065 > 21 83 S 0.35440844513725 0.78882842063150 0.79599268697115 32.065 > 21 84 S 0.85440844513725 0.78882842063150 0.79599268697115 32.065 > 21 85 S 0.45075564272118 0.12734047450810 0.42589141458310 32.065 > 22 86 S 0.95075564272118 0.12734047450810 0.42589141458310 32.065 > 22 87 S 0.45075564272118 0.12734047450810 0.92589141458310 32.065 > 22 88 S 0.95075564272118 0.12734047450810 0.92589141458310 32.065 > 22 89 S 0.04924435727882 0.87265952549190 0.07410858541690 32.065 > 23 90 S 0.54924435727882 0.87265952549190 0.07410858541690 32.065 > 23 91 S 0.04924435727882 0.87265952549190 0.57410858541690 32.065 > 23 92 S 0.54924435727882 0.87265952549190 0.57410858541690 32.065 > 23 93 S 0.35440844513725 0.71117157936850 0.04599268697115 32.065 > 24 94 S 0.85440844513725 0.71117157936850 0.04599268697115 32.065 > 24 95 S 0.35440844513725 0.71117157936850 0.54599268697115 32.065 > 24 96 S 0.85440844513725 0.71117157936850 0.54599268697115 32.065 > 24 97 S 0.16931301785498 0.93705052693786 0.34304374495503 32.065 > 25 98 S 0.66931301785498 0.93705052693786 0.34304374495503 32.065 > 25 99 S 0.16931301785498 0.93705052693786 0.84304374495503 32.065 > 25 100 S 0.66931301785498 0.93705052693786 0.84304374495503 32.065 > 25 101 S 0.14559155486275 0.21117157936850 0.20400731302885 32.065 > 26 102 S 0.64559155486275 0.21117157936850 0.20400731302885 32.065 > 26 103 S 0.14559155486275 0.21117157936850 0.70400731302885 32.065 > 26 104 S 0.64559155486275 0.21117157936850 0.70400731302885 32.065 > 26 105 S 0.45075564272118 0.37265952549190 0.17589141458310 32.065 > 27 106 S 0.95075564272118 0.37265952549190 0.17589141458310 32.065 > 27 107 S 0.45075564272118 0.37265952549190 0.67589141458310 32.065 > 27 108 S 0.95075564272118 0.37265952549190 0.67589141458310 32.065 > 27 109 S 0.14559155486275 0.28882842063150 0.45400731302885 32.065 > 28 110 S 0.64559155486275 0.28882842063150 0.45400731302885 32.065 > 28 111 S 0.14559155486275 0.28882842063150 0.95400731302885 32.065 > 28 112 S 0.64559155486275 0.28882842063150 0.95400731302885 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.8339704 0.0000000 0.4656599 0.0000000 4.9376912 0.0000000 0.4656688 0.0000000 5.9704070 -------------------------- Born effective charges -------------------------- 1 K 1.4029743 0.0324264 -0.0892799 -0.0606621 1.2381656 0.1271788 -0.0539207 -0.0605698 1.2103041 2 K 1.4029743 -0.0324264 -0.0892799 0.0606621 1.2381656 -0.1271788 -0.0539207 0.0605698 1.2103041 3 K 1.0980901 -0.1782677 0.0239177 -0.0806498 1.6128622 0.2485987 -0.0056475 0.3046132 1.0220710 4 K 1.0980901 0.1782677 0.0239177 0.0806498 1.6128622 -0.2485987 -0.0056475 -0.3046132 1.0220710 5 K 1.0980901 0.1782677 0.0239177 0.0806498 1.6128622 -0.2485987 -0.0056475 -0.3046132 1.0220710 6 K 1.4029743 -0.0324264 -0.0892799 0.0606621 1.2381656 -0.1271788 -0.0539207 0.0605698 1.2103041 7 K 1.4029743 0.0324264 -0.0892799 -0.0606621 1.2381656 0.1271788 -0.0539207 -0.0605698 1.2103041 8 K 1.0980901 -0.1782677 0.0239177 -0.0806498 1.6128622 0.2485987 -0.0056475 0.3046132 1.0220710 9 Cu 1.0220760 0.1090885 -0.0357023 0.1047934 0.3837109 0.0064703 -0.1847006 -0.0493267 0.5544511 10 Cu 1.0220760 0.1090885 -0.0357023 0.1047934 0.3837109 0.0064703 -0.1847006 -0.0493267 0.5544511 11 Cu 1.0220760 -0.1090885 -0.0357023 -0.1047934 0.3837109 -0.0064703 -0.1847006 0.0493267 0.5544511 12 Cu 1.0220760 -0.1090885 -0.0357023 -0.1047934 0.3837109 -0.0064703 -0.1847006 0.0493267 0.5544511 13 Sb 2.3852501 -0.0928181 0.2188373 -0.5689184 1.9670416 0.3868623 0.4267076 -0.1789811 2.6344173 14 Sb 2.3852501 0.0928181 0.2188373 0.5689184 1.9670416 -0.3868623 0.4267076 0.1789811 2.6344173 15 Sb 2.3852501 -0.0928181 0.2188373 -0.5689184 1.9670416 0.3868623 0.4267076 -0.1789811 2.6344173 16 Sb 2.3852501 0.0928181 0.2188373 0.5689184 1.9670416 -0.3868623 0.4267076 0.1789811 2.6344173 17 S -1.2044754 -0.0687213 0.1309989 -0.2470604 -2.8733110 0.7458470 0.1101884 0.7013645 -1.7183596 18 S -1.2538197 0.0885422 -0.0797872 0.0092870 -1.5428614 -0.2085267 0.2508231 -0.8236493 -2.5047642 19 S -1.2044754 0.0687213 0.1309989 0.2470604 -2.8733110 -0.7458470 0.1101884 -0.7013645 -1.7183596 20 S -1.2044754 -0.0687213 0.1309989 -0.2470604 -2.8733110 0.7458470 0.1101884 0.7013645 -1.7183596 21 S -3.4500954 0.2598033 -0.1689844 0.3420699 -0.7856078 0.1683571 -0.5434502 0.2941580 -1.1981197 22 S -1.2538197 -0.0885422 -0.0797872 -0.0092870 -1.5428614 0.2085267 0.2508231 0.8236493 -2.5047642 23 S -1.2538197 -0.0885422 -0.0797872 -0.0092870 -1.5428614 0.2085267 0.2508231 0.8236493 -2.5047642 24 S -3.4500954 -0.2598033 -0.1689844 -0.3420699 -0.7856078 -0.1683571 -0.5434502 -0.2941580 -1.1981197 25 S -1.2044754 0.0687213 0.1309989 0.2470604 -2.8733110 -0.7458470 0.1101884 -0.7013645 -1.7183596 26 S -3.4500954 0.2598033 -0.1689844 0.3420699 -0.7856078 0.1683571 -0.5434502 0.2941580 -1.1981197 27 S -1.2538197 0.0885422 -0.0797872 0.0092870 -1.5428614 -0.2085267 0.2508231 -0.8236493 -2.5047642 28 S -3.4500954 -0.2598033 -0.1689844 -0.3420699 -0.7856078 -0.1683571 -0.5434502 -0.2941580 -1.1981197 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.919 Solver_block: 200 / 880 - Time: 0.850 Solver_block: 300 / 880 - Time: 0.838 Solver_block: 400 / 880 - Time: 0.840 Solver_block: 500 / 880 - Time: 0.846 Solver_block: 600 / 880 - Time: 0.851 Solver_block: 700 / 880 - Time: 0.838 Solver_block: 800 / 880 - Time: 0.840 Solver_block: 880 / 880 - Time: 0.693 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.691 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 11:03:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:03:34]------------------------- 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 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.241797903278265 0.000000000000000 0.000000000000000 b 0.000000000000000 17.886236609999997 0.000000000000000 c -3.829541444881736 0.000000000000000 6.427181857387221 Atomic positions (fractional): 1 K 0.40768325711881 0.11775150708962 0.85057263908472 39.098 2 K 0.40768325711881 0.38224849291038 0.35057263908472 39.098 3 K 0.85411462129090 0.54225245819944 0.21234103394858 39.098 4 K 0.85411462129090 0.95774754180056 0.71234103394858 39.098 5 K 0.14588537870910 0.04225245819944 0.28765896605142 39.098 6 K 0.59231674288119 0.61775150708962 0.64942736091528 39.098 7 K 0.59231674288119 0.88224849291038 0.14942736091528 39.098 8 K 0.14588537870910 0.45774754180056 0.78765896605142 39.098 9 Cu 0.89377338518014 0.77585773938212 0.93893178018672 63.546 10 Cu 0.10622661481986 0.22414226061788 0.06106821981328 63.546 11 Cu 0.10622661481986 0.27585773938212 0.56106821981328 63.546 12 Cu 0.89377338518014 0.72414226061788 0.43893178018672 63.546 13 Sb 0.26570969575750 0.82142609026526 0.49856072958798 121.760 14 Sb 0.73429030424250 0.32142609026526 0.00143927041202 121.760 15 Sb 0.73429030424250 0.17857390973474 0.50143927041202 121.760 16 Sb 0.26570969575750 0.67857390973474 0.99856072958798 121.760 17 S 0.66137396429004 0.43705052693786 0.81391251008994 32.065 18 S 0.09848871455765 0.62734047450810 0.64821717083381 32.065 19 S 0.66137396429004 0.06294947306214 0.31391251008993 32.065 20 S 0.33862603570996 0.56294947306214 0.18608748991006 32.065 21 S 0.70881689027451 0.78882842063150 0.59198537394230 32.065 22 S 0.90151128544235 0.12734047450810 0.85178282916619 32.065 23 S 0.09848871455765 0.87265952549190 0.14821717083381 32.065 24 S 0.70881689027451 0.71117157936850 0.09198537394230 32.065 25 S 0.33862603570996 0.93705052693786 0.68608748991006 32.065 26 S 0.29118310972549 0.21117157936850 0.40801462605770 32.065 27 S 0.90151128544235 0.37265952549190 0.35178282916620 32.065 28 S 0.29118310972549 0.28882842063150 0.90801462605770 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.483595806556529 0.000000000000000 0.000000000000000 b 0.000000000000000 17.886236609999997 0.000000000000000 c -7.659082889763472 0.000000000000000 12.854363714774442 Atomic positions (fractional): 1 K 0.20384162855940 0.11775150708962 0.42528631954236 39.098 > 1 2 K 0.70384162855940 0.11775150708962 0.42528631954236 39.098 > 1 3 K 0.20384162855940 0.11775150708962 0.92528631954236 39.098 > 1 4 K 0.70384162855940 0.11775150708962 0.92528631954236 39.098 > 1 5 K 0.20384162855940 0.38224849291038 0.17528631954236 39.098 > 5 6 K 0.70384162855940 0.38224849291038 0.17528631954236 39.098 > 5 7 K 0.20384162855940 0.38224849291038 0.67528631954236 39.098 > 5 8 K 0.70384162855940 0.38224849291038 0.67528631954236 39.098 > 5 9 K 0.42705731064545 0.54225245819944 0.10617051697429 39.098 > 9 10 K 0.92705731064545 0.54225245819944 0.10617051697429 39.098 > 9 11 K 0.42705731064545 0.54225245819944 0.60617051697429 39.098 > 9 12 K 0.92705731064545 0.54225245819944 0.60617051697429 39.098 > 9 13 K 0.42705731064545 0.95774754180056 0.35617051697429 39.098 > 13 14 K 0.92705731064545 0.95774754180056 0.35617051697429 39.098 > 13 15 K 0.42705731064545 0.95774754180056 0.85617051697429 39.098 > 13 16 K 0.92705731064545 0.95774754180056 0.85617051697429 39.098 > 13 17 K 0.07294268935455 0.04225245819944 0.14382948302571 39.098 > 17 18 K 0.57294268935455 0.04225245819944 0.14382948302571 39.098 > 17 19 K 0.07294268935455 0.04225245819944 0.64382948302571 39.098 > 17 20 K 0.57294268935455 0.04225245819944 0.64382948302571 39.098 > 17 21 K 0.29615837144060 0.61775150708962 0.32471368045764 39.098 > 21 22 K 0.79615837144060 0.61775150708962 0.32471368045764 39.098 > 21 23 K 0.29615837144060 0.61775150708962 0.82471368045764 39.098 > 21 24 K 0.79615837144060 0.61775150708962 0.82471368045764 39.098 > 21 25 K 0.29615837144060 0.88224849291038 0.07471368045764 39.098 > 25 26 K 0.79615837144060 0.88224849291038 0.07471368045764 39.098 > 25 27 K 0.29615837144060 0.88224849291038 0.57471368045764 39.098 > 25 28 K 0.79615837144060 0.88224849291038 0.57471368045764 39.098 > 25 29 K 0.07294268935455 0.45774754180056 0.39382948302571 39.098 > 29 30 K 0.57294268935455 0.45774754180056 0.39382948302571 39.098 > 29 31 K 0.07294268935455 0.45774754180056 0.89382948302571 39.098 > 29 32 K 0.57294268935455 0.45774754180056 0.89382948302571 39.098 > 29 33 Cu 0.44688669259007 0.77585773938212 0.46946589009336 63.546 > 33 34 Cu 0.94688669259007 0.77585773938212 0.46946589009336 63.546 > 33 35 Cu 0.44688669259007 0.77585773938212 0.96946589009336 63.546 > 33 36 Cu 0.94688669259007 0.77585773938212 0.96946589009336 63.546 > 33 37 Cu 0.05311330740993 0.22414226061788 0.03053410990664 63.546 > 37 38 Cu 0.55311330740993 0.22414226061788 0.03053410990664 63.546 > 37 39 Cu 0.05311330740993 0.22414226061788 0.53053410990664 63.546 > 37 40 Cu 0.55311330740993 0.22414226061788 0.53053410990664 63.546 > 37 41 Cu 0.05311330740993 0.27585773938212 0.28053410990664 63.546 > 41 42 Cu 0.55311330740993 0.27585773938212 0.28053410990664 63.546 > 41 43 Cu 0.05311330740993 0.27585773938212 0.78053410990664 63.546 > 41 44 Cu 0.55311330740993 0.27585773938212 0.78053410990664 63.546 > 41 45 Cu 0.44688669259007 0.72414226061788 0.21946589009336 63.546 > 45 46 Cu 0.94688669259007 0.72414226061788 0.21946589009336 63.546 > 45 47 Cu 0.44688669259007 0.72414226061788 0.71946589009336 63.546 > 45 48 Cu 0.94688669259007 0.72414226061788 0.71946589009336 63.546 > 45 49 Sb 0.13285484787875 0.82142609026526 0.24928036479399 121.760 > 49 50 Sb 0.63285484787875 0.82142609026526 0.24928036479399 121.760 > 49 51 Sb 0.13285484787875 0.82142609026526 0.74928036479399 121.760 > 49 52 Sb 0.63285484787875 0.82142609026526 0.74928036479399 121.760 > 49 53 Sb 0.36714515212125 0.32142609026526 0.00071963520601 121.760 > 53 54 Sb 0.86714515212125 0.32142609026526 0.00071963520601 121.760 > 53 55 Sb 0.36714515212125 0.32142609026526 0.50071963520601 121.760 > 53 56 Sb 0.86714515212125 0.32142609026526 0.50071963520601 121.760 > 53 57 Sb 0.36714515212125 0.17857390973474 0.25071963520601 121.760 > 57 58 Sb 0.86714515212125 0.17857390973474 0.25071963520601 121.760 > 57 59 Sb 0.36714515212125 0.17857390973474 0.75071963520601 121.760 > 57 60 Sb 0.86714515212125 0.17857390973474 0.75071963520601 121.760 > 57 61 Sb 0.13285484787875 0.67857390973474 0.49928036479399 121.760 > 61 62 Sb 0.63285484787875 0.67857390973474 0.49928036479399 121.760 > 61 63 Sb 0.13285484787875 0.67857390973474 0.99928036479399 121.760 > 61 64 Sb 0.63285484787875 0.67857390973474 0.99928036479399 121.760 > 61 65 S 0.33068698214502 0.43705052693786 0.40695625504497 32.065 > 65 66 S 0.83068698214502 0.43705052693786 0.40695625504497 32.065 > 65 67 S 0.33068698214502 0.43705052693786 0.90695625504497 32.065 > 65 68 S 0.83068698214502 0.43705052693786 0.90695625504497 32.065 > 65 69 S 0.04924435727882 0.62734047450810 0.32410858541690 32.065 > 69 70 S 0.54924435727882 0.62734047450810 0.32410858541690 32.065 > 69 71 S 0.04924435727882 0.62734047450810 0.82410858541690 32.065 > 69 72 S 0.54924435727882 0.62734047450810 0.82410858541690 32.065 > 69 73 S 0.33068698214502 0.06294947306214 0.15695625504497 32.065 > 73 74 S 0.83068698214502 0.06294947306214 0.15695625504497 32.065 > 73 75 S 0.33068698214502 0.06294947306214 0.65695625504497 32.065 > 73 76 S 0.83068698214502 0.06294947306214 0.65695625504497 32.065 > 73 77 S 0.16931301785498 0.56294947306214 0.09304374495503 32.065 > 77 78 S 0.66931301785498 0.56294947306214 0.09304374495503 32.065 > 77 79 S 0.16931301785498 0.56294947306214 0.59304374495503 32.065 > 77 80 S 0.66931301785498 0.56294947306214 0.59304374495503 32.065 > 77 81 S 0.35440844513725 0.78882842063150 0.29599268697115 32.065 > 81 82 S 0.85440844513725 0.78882842063150 0.29599268697115 32.065 > 81 83 S 0.35440844513725 0.78882842063150 0.79599268697115 32.065 > 81 84 S 0.85440844513725 0.78882842063150 0.79599268697115 32.065 > 81 85 S 0.45075564272118 0.12734047450810 0.42589141458310 32.065 > 85 86 S 0.95075564272118 0.12734047450810 0.42589141458310 32.065 > 85 87 S 0.45075564272118 0.12734047450810 0.92589141458310 32.065 > 85 88 S 0.95075564272118 0.12734047450810 0.92589141458310 32.065 > 85 89 S 0.04924435727882 0.87265952549190 0.07410858541690 32.065 > 89 90 S 0.54924435727882 0.87265952549190 0.07410858541690 32.065 > 89 91 S 0.04924435727882 0.87265952549190 0.57410858541690 32.065 > 89 92 S 0.54924435727882 0.87265952549190 0.57410858541690 32.065 > 89 93 S 0.35440844513725 0.71117157936850 0.04599268697115 32.065 > 93 94 S 0.85440844513725 0.71117157936850 0.04599268697115 32.065 > 93 95 S 0.35440844513725 0.71117157936850 0.54599268697115 32.065 > 93 96 S 0.85440844513725 0.71117157936850 0.54599268697115 32.065 > 93 97 S 0.16931301785498 0.93705052693786 0.34304374495503 32.065 > 97 98 S 0.66931301785498 0.93705052693786 0.34304374495503 32.065 > 97 99 S 0.16931301785498 0.93705052693786 0.84304374495503 32.065 > 97 100 S 0.66931301785498 0.93705052693786 0.84304374495503 32.065 > 97 101 S 0.14559155486275 0.21117157936850 0.20400731302885 32.065 > 101 102 S 0.64559155486275 0.21117157936850 0.20400731302885 32.065 > 101 103 S 0.14559155486275 0.21117157936850 0.70400731302885 32.065 > 101 104 S 0.64559155486275 0.21117157936850 0.70400731302885 32.065 > 101 105 S 0.45075564272118 0.37265952549190 0.17589141458310 32.065 > 105 106 S 0.95075564272118 0.37265952549190 0.17589141458310 32.065 > 105 107 S 0.45075564272118 0.37265952549190 0.67589141458310 32.065 > 105 108 S 0.95075564272118 0.37265952549190 0.67589141458310 32.065 > 105 109 S 0.14559155486275 0.28882842063150 0.45400731302885 32.065 > 109 110 S 0.64559155486275 0.28882842063150 0.45400731302885 32.065 > 109 111 S 0.14559155486275 0.28882842063150 0.95400731302885 32.065 > 109 112 S 0.64559155486275 0.28882842063150 0.95400731302885 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.8339704 0.0000000 0.4656599 0.0000000 4.9376912 0.0000000 0.4656688 0.0000000 5.9704070 -------------------------- Born effective charges -------------------------- 1 K 1.4029743 0.0324264 -0.0892799 -0.0606621 1.2381656 0.1271788 -0.0539207 -0.0605698 1.2103041 2 K 1.4029743 -0.0324264 -0.0892799 0.0606621 1.2381656 -0.1271788 -0.0539207 0.0605698 1.2103041 3 K 1.0980901 -0.1782677 0.0239177 -0.0806498 1.6128622 0.2485987 -0.0056475 0.3046132 1.0220710 4 K 1.0980901 0.1782677 0.0239177 0.0806498 1.6128622 -0.2485987 -0.0056475 -0.3046132 1.0220710 5 K 1.0980901 0.1782677 0.0239177 0.0806498 1.6128622 -0.2485987 -0.0056475 -0.3046132 1.0220710 6 K 1.4029743 -0.0324264 -0.0892799 0.0606621 1.2381656 -0.1271788 -0.0539207 0.0605698 1.2103041 7 K 1.4029743 0.0324264 -0.0892799 -0.0606621 1.2381656 0.1271788 -0.0539207 -0.0605698 1.2103041 8 K 1.0980901 -0.1782677 0.0239177 -0.0806498 1.6128622 0.2485987 -0.0056475 0.3046132 1.0220710 9 Cu 1.0220760 0.1090885 -0.0357023 0.1047934 0.3837109 0.0064703 -0.1847006 -0.0493267 0.5544511 10 Cu 1.0220760 0.1090885 -0.0357023 0.1047934 0.3837109 0.0064703 -0.1847006 -0.0493267 0.5544511 11 Cu 1.0220760 -0.1090885 -0.0357023 -0.1047934 0.3837109 -0.0064703 -0.1847006 0.0493267 0.5544511 12 Cu 1.0220760 -0.1090885 -0.0357023 -0.1047934 0.3837109 -0.0064703 -0.1847006 0.0493267 0.5544511 13 Sb 2.3852501 -0.0928181 0.2188373 -0.5689184 1.9670416 0.3868623 0.4267076 -0.1789811 2.6344173 14 Sb 2.3852501 0.0928181 0.2188373 0.5689184 1.9670416 -0.3868623 0.4267076 0.1789811 2.6344173 15 Sb 2.3852501 -0.0928181 0.2188373 -0.5689184 1.9670416 0.3868623 0.4267076 -0.1789811 2.6344173 16 Sb 2.3852501 0.0928181 0.2188373 0.5689184 1.9670416 -0.3868623 0.4267076 0.1789811 2.6344173 17 S -1.2044754 -0.0687213 0.1309989 -0.2470604 -2.8733110 0.7458470 0.1101884 0.7013645 -1.7183596 18 S -1.2538197 0.0885422 -0.0797872 0.0092870 -1.5428614 -0.2085267 0.2508231 -0.8236493 -2.5047642 19 S -1.2044754 0.0687213 0.1309989 0.2470604 -2.8733110 -0.7458470 0.1101884 -0.7013645 -1.7183596 20 S -1.2044754 -0.0687213 0.1309989 -0.2470604 -2.8733110 0.7458470 0.1101884 0.7013645 -1.7183596 21 S -3.4500954 0.2598033 -0.1689844 0.3420699 -0.7856078 0.1683571 -0.5434502 0.2941580 -1.1981197 22 S -1.2538197 -0.0885422 -0.0797872 -0.0092870 -1.5428614 0.2085267 0.2508231 0.8236493 -2.5047642 23 S -1.2538197 -0.0885422 -0.0797872 -0.0092870 -1.5428614 0.2085267 0.2508231 0.8236493 -2.5047642 24 S -3.4500954 -0.2598033 -0.1689844 -0.3420699 -0.7856078 -0.1683571 -0.5434502 -0.2941580 -1.1981197 25 S -1.2044754 0.0687213 0.1309989 0.2470604 -2.8733110 -0.7458470 0.1101884 -0.7013645 -1.7183596 26 S -3.4500954 0.2598033 -0.1689844 0.3420699 -0.7856078 0.1683571 -0.5434502 0.2941580 -1.1981197 27 S -1.2538197 0.0885422 -0.0797872 0.0092870 -1.5428614 -0.2085267 0.2508231 -0.8236493 -2.5047642 28 S -3.4500954 -0.2598033 -0.1689844 -0.3420699 -0.7856078 -0.1683571 -0.5434502 -0.2941580 -1.1981197 ---------------------------------------------------------------------------- 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (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 11:04:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:04:07]------------------------- 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 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.241797903278265 0.000000000000000 0.000000000000000 b 0.000000000000000 17.886236609999997 0.000000000000000 c -3.829541444881736 0.000000000000000 6.427181857387221 Atomic positions (fractional): 1 K 0.40768325711881 0.11775150708962 0.85057263908472 39.098 2 K 0.40768325711881 0.38224849291038 0.35057263908472 39.098 3 K 0.85411462129090 0.54225245819944 0.21234103394858 39.098 4 K 0.85411462129090 0.95774754180056 0.71234103394858 39.098 5 K 0.14588537870910 0.04225245819944 0.28765896605142 39.098 6 K 0.59231674288119 0.61775150708962 0.64942736091528 39.098 7 K 0.59231674288119 0.88224849291038 0.14942736091528 39.098 8 K 0.14588537870910 0.45774754180056 0.78765896605142 39.098 9 Cu 0.89377338518014 0.77585773938212 0.93893178018672 63.546 10 Cu 0.10622661481986 0.22414226061788 0.06106821981328 63.546 11 Cu 0.10622661481986 0.27585773938212 0.56106821981328 63.546 12 Cu 0.89377338518014 0.72414226061788 0.43893178018672 63.546 13 Sb 0.26570969575750 0.82142609026526 0.49856072958798 121.760 14 Sb 0.73429030424250 0.32142609026526 0.00143927041202 121.760 15 Sb 0.73429030424250 0.17857390973474 0.50143927041202 121.760 16 Sb 0.26570969575750 0.67857390973474 0.99856072958798 121.760 17 S 0.66137396429004 0.43705052693786 0.81391251008994 32.065 18 S 0.09848871455765 0.62734047450810 0.64821717083381 32.065 19 S 0.66137396429004 0.06294947306214 0.31391251008993 32.065 20 S 0.33862603570996 0.56294947306214 0.18608748991006 32.065 21 S 0.70881689027451 0.78882842063150 0.59198537394230 32.065 22 S 0.90151128544235 0.12734047450810 0.85178282916619 32.065 23 S 0.09848871455765 0.87265952549190 0.14821717083381 32.065 24 S 0.70881689027451 0.71117157936850 0.09198537394230 32.065 25 S 0.33862603570996 0.93705052693786 0.68608748991006 32.065 26 S 0.29118310972549 0.21117157936850 0.40801462605770 32.065 27 S 0.90151128544235 0.37265952549190 0.35178282916620 32.065 28 S 0.29118310972549 0.28882842063150 0.90801462605770 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.483595806556529 0.000000000000000 0.000000000000000 b 0.000000000000000 17.886236609999997 0.000000000000000 c -7.659082889763472 0.000000000000000 12.854363714774442 Atomic positions (fractional): 1 K 0.20384162855940 0.11775150708962 0.42528631954236 39.098 > 1 2 K 0.70384162855940 0.11775150708962 0.42528631954236 39.098 > 1 3 K 0.20384162855940 0.11775150708962 0.92528631954236 39.098 > 1 4 K 0.70384162855940 0.11775150708962 0.92528631954236 39.098 > 1 5 K 0.20384162855940 0.38224849291038 0.17528631954236 39.098 > 5 6 K 0.70384162855940 0.38224849291038 0.17528631954236 39.098 > 5 7 K 0.20384162855940 0.38224849291038 0.67528631954236 39.098 > 5 8 K 0.70384162855940 0.38224849291038 0.67528631954236 39.098 > 5 9 K 0.42705731064545 0.54225245819944 0.10617051697429 39.098 > 9 10 K 0.92705731064545 0.54225245819944 0.10617051697429 39.098 > 9 11 K 0.42705731064545 0.54225245819944 0.60617051697429 39.098 > 9 12 K 0.92705731064545 0.54225245819944 0.60617051697429 39.098 > 9 13 K 0.42705731064545 0.95774754180056 0.35617051697429 39.098 > 13 14 K 0.92705731064545 0.95774754180056 0.35617051697429 39.098 > 13 15 K 0.42705731064545 0.95774754180056 0.85617051697429 39.098 > 13 16 K 0.92705731064545 0.95774754180056 0.85617051697429 39.098 > 13 17 K 0.07294268935455 0.04225245819944 0.14382948302571 39.098 > 17 18 K 0.57294268935455 0.04225245819944 0.14382948302571 39.098 > 17 19 K 0.07294268935455 0.04225245819944 0.64382948302571 39.098 > 17 20 K 0.57294268935455 0.04225245819944 0.64382948302571 39.098 > 17 21 K 0.29615837144060 0.61775150708962 0.32471368045764 39.098 > 21 22 K 0.79615837144060 0.61775150708962 0.32471368045764 39.098 > 21 23 K 0.29615837144060 0.61775150708962 0.82471368045764 39.098 > 21 24 K 0.79615837144060 0.61775150708962 0.82471368045764 39.098 > 21 25 K 0.29615837144060 0.88224849291038 0.07471368045764 39.098 > 25 26 K 0.79615837144060 0.88224849291038 0.07471368045764 39.098 > 25 27 K 0.29615837144060 0.88224849291038 0.57471368045764 39.098 > 25 28 K 0.79615837144060 0.88224849291038 0.57471368045764 39.098 > 25 29 K 0.07294268935455 0.45774754180056 0.39382948302571 39.098 > 29 30 K 0.57294268935455 0.45774754180056 0.39382948302571 39.098 > 29 31 K 0.07294268935455 0.45774754180056 0.89382948302571 39.098 > 29 32 K 0.57294268935455 0.45774754180056 0.89382948302571 39.098 > 29 33 Cu 0.44688669259007 0.77585773938212 0.46946589009336 63.546 > 33 34 Cu 0.94688669259007 0.77585773938212 0.46946589009336 63.546 > 33 35 Cu 0.44688669259007 0.77585773938212 0.96946589009336 63.546 > 33 36 Cu 0.94688669259007 0.77585773938212 0.96946589009336 63.546 > 33 37 Cu 0.05311330740993 0.22414226061788 0.03053410990664 63.546 > 37 38 Cu 0.55311330740993 0.22414226061788 0.03053410990664 63.546 > 37 39 Cu 0.05311330740993 0.22414226061788 0.53053410990664 63.546 > 37 40 Cu 0.55311330740993 0.22414226061788 0.53053410990664 63.546 > 37 41 Cu 0.05311330740993 0.27585773938212 0.28053410990664 63.546 > 41 42 Cu 0.55311330740993 0.27585773938212 0.28053410990664 63.546 > 41 43 Cu 0.05311330740993 0.27585773938212 0.78053410990664 63.546 > 41 44 Cu 0.55311330740993 0.27585773938212 0.78053410990664 63.546 > 41 45 Cu 0.44688669259007 0.72414226061788 0.21946589009336 63.546 > 45 46 Cu 0.94688669259007 0.72414226061788 0.21946589009336 63.546 > 45 47 Cu 0.44688669259007 0.72414226061788 0.71946589009336 63.546 > 45 48 Cu 0.94688669259007 0.72414226061788 0.71946589009336 63.546 > 45 49 Sb 0.13285484787875 0.82142609026526 0.24928036479399 121.760 > 49 50 Sb 0.63285484787875 0.82142609026526 0.24928036479399 121.760 > 49 51 Sb 0.13285484787875 0.82142609026526 0.74928036479399 121.760 > 49 52 Sb 0.63285484787875 0.82142609026526 0.74928036479399 121.760 > 49 53 Sb 0.36714515212125 0.32142609026526 0.00071963520601 121.760 > 53 54 Sb 0.86714515212125 0.32142609026526 0.00071963520601 121.760 > 53 55 Sb 0.36714515212125 0.32142609026526 0.50071963520601 121.760 > 53 56 Sb 0.86714515212125 0.32142609026526 0.50071963520601 121.760 > 53 57 Sb 0.36714515212125 0.17857390973474 0.25071963520601 121.760 > 57 58 Sb 0.86714515212125 0.17857390973474 0.25071963520601 121.760 > 57 59 Sb 0.36714515212125 0.17857390973474 0.75071963520601 121.760 > 57 60 Sb 0.86714515212125 0.17857390973474 0.75071963520601 121.760 > 57 61 Sb 0.13285484787875 0.67857390973474 0.49928036479399 121.760 > 61 62 Sb 0.63285484787875 0.67857390973474 0.49928036479399 121.760 > 61 63 Sb 0.13285484787875 0.67857390973474 0.99928036479399 121.760 > 61 64 Sb 0.63285484787875 0.67857390973474 0.99928036479399 121.760 > 61 65 S 0.33068698214502 0.43705052693786 0.40695625504497 32.065 > 65 66 S 0.83068698214502 0.43705052693786 0.40695625504497 32.065 > 65 67 S 0.33068698214502 0.43705052693786 0.90695625504497 32.065 > 65 68 S 0.83068698214502 0.43705052693786 0.90695625504497 32.065 > 65 69 S 0.04924435727882 0.62734047450810 0.32410858541690 32.065 > 69 70 S 0.54924435727882 0.62734047450810 0.32410858541690 32.065 > 69 71 S 0.04924435727882 0.62734047450810 0.82410858541690 32.065 > 69 72 S 0.54924435727882 0.62734047450810 0.82410858541690 32.065 > 69 73 S 0.33068698214502 0.06294947306214 0.15695625504497 32.065 > 73 74 S 0.83068698214502 0.06294947306214 0.15695625504497 32.065 > 73 75 S 0.33068698214502 0.06294947306214 0.65695625504497 32.065 > 73 76 S 0.83068698214502 0.06294947306214 0.65695625504497 32.065 > 73 77 S 0.16931301785498 0.56294947306214 0.09304374495503 32.065 > 77 78 S 0.66931301785498 0.56294947306214 0.09304374495503 32.065 > 77 79 S 0.16931301785498 0.56294947306214 0.59304374495503 32.065 > 77 80 S 0.66931301785498 0.56294947306214 0.59304374495503 32.065 > 77 81 S 0.35440844513725 0.78882842063150 0.29599268697115 32.065 > 81 82 S 0.85440844513725 0.78882842063150 0.29599268697115 32.065 > 81 83 S 0.35440844513725 0.78882842063150 0.79599268697115 32.065 > 81 84 S 0.85440844513725 0.78882842063150 0.79599268697115 32.065 > 81 85 S 0.45075564272118 0.12734047450810 0.42589141458310 32.065 > 85 86 S 0.95075564272118 0.12734047450810 0.42589141458310 32.065 > 85 87 S 0.45075564272118 0.12734047450810 0.92589141458310 32.065 > 85 88 S 0.95075564272118 0.12734047450810 0.92589141458310 32.065 > 85 89 S 0.04924435727882 0.87265952549190 0.07410858541690 32.065 > 89 90 S 0.54924435727882 0.87265952549190 0.07410858541690 32.065 > 89 91 S 0.04924435727882 0.87265952549190 0.57410858541690 32.065 > 89 92 S 0.54924435727882 0.87265952549190 0.57410858541690 32.065 > 89 93 S 0.35440844513725 0.71117157936850 0.04599268697115 32.065 > 93 94 S 0.85440844513725 0.71117157936850 0.04599268697115 32.065 > 93 95 S 0.35440844513725 0.71117157936850 0.54599268697115 32.065 > 93 96 S 0.85440844513725 0.71117157936850 0.54599268697115 32.065 > 93 97 S 0.16931301785498 0.93705052693786 0.34304374495503 32.065 > 97 98 S 0.66931301785498 0.93705052693786 0.34304374495503 32.065 > 97 99 S 0.16931301785498 0.93705052693786 0.84304374495503 32.065 > 97 100 S 0.66931301785498 0.93705052693786 0.84304374495503 32.065 > 97 101 S 0.14559155486275 0.21117157936850 0.20400731302885 32.065 > 101 102 S 0.64559155486275 0.21117157936850 0.20400731302885 32.065 > 101 103 S 0.14559155486275 0.21117157936850 0.70400731302885 32.065 > 101 104 S 0.64559155486275 0.21117157936850 0.70400731302885 32.065 > 101 105 S 0.45075564272118 0.37265952549190 0.17589141458310 32.065 > 105 106 S 0.95075564272118 0.37265952549190 0.17589141458310 32.065 > 105 107 S 0.45075564272118 0.37265952549190 0.67589141458310 32.065 > 105 108 S 0.95075564272118 0.37265952549190 0.67589141458310 32.065 > 105 109 S 0.14559155486275 0.28882842063150 0.45400731302885 32.065 > 109 110 S 0.64559155486275 0.28882842063150 0.45400731302885 32.065 > 109 111 S 0.14559155486275 0.28882842063150 0.95400731302885 32.065 > 109 112 S 0.64559155486275 0.28882842063150 0.95400731302885 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.8339704 0.0000000 0.4656599 0.0000000 4.9376912 0.0000000 0.4656688 0.0000000 5.9704070 -------------------------- Born effective charges -------------------------- 1 K 1.4029743 0.0324264 -0.0892799 -0.0606621 1.2381656 0.1271788 -0.0539207 -0.0605698 1.2103041 2 K 1.4029743 -0.0324264 -0.0892799 0.0606621 1.2381656 -0.1271788 -0.0539207 0.0605698 1.2103041 3 K 1.0980901 -0.1782677 0.0239177 -0.0806498 1.6128622 0.2485987 -0.0056475 0.3046132 1.0220710 4 K 1.0980901 0.1782677 0.0239177 0.0806498 1.6128622 -0.2485987 -0.0056475 -0.3046132 1.0220710 5 K 1.0980901 0.1782677 0.0239177 0.0806498 1.6128622 -0.2485987 -0.0056475 -0.3046132 1.0220710 6 K 1.4029743 -0.0324264 -0.0892799 0.0606621 1.2381656 -0.1271788 -0.0539207 0.0605698 1.2103041 7 K 1.4029743 0.0324264 -0.0892799 -0.0606621 1.2381656 0.1271788 -0.0539207 -0.0605698 1.2103041 8 K 1.0980901 -0.1782677 0.0239177 -0.0806498 1.6128622 0.2485987 -0.0056475 0.3046132 1.0220710 9 Cu 1.0220760 0.1090885 -0.0357023 0.1047934 0.3837109 0.0064703 -0.1847006 -0.0493267 0.5544511 10 Cu 1.0220760 0.1090885 -0.0357023 0.1047934 0.3837109 0.0064703 -0.1847006 -0.0493267 0.5544511 11 Cu 1.0220760 -0.1090885 -0.0357023 -0.1047934 0.3837109 -0.0064703 -0.1847006 0.0493267 0.5544511 12 Cu 1.0220760 -0.1090885 -0.0357023 -0.1047934 0.3837109 -0.0064703 -0.1847006 0.0493267 0.5544511 13 Sb 2.3852501 -0.0928181 0.2188373 -0.5689184 1.9670416 0.3868623 0.4267076 -0.1789811 2.6344173 14 Sb 2.3852501 0.0928181 0.2188373 0.5689184 1.9670416 -0.3868623 0.4267076 0.1789811 2.6344173 15 Sb 2.3852501 -0.0928181 0.2188373 -0.5689184 1.9670416 0.3868623 0.4267076 -0.1789811 2.6344173 16 Sb 2.3852501 0.0928181 0.2188373 0.5689184 1.9670416 -0.3868623 0.4267076 0.1789811 2.6344173 17 S -1.2044754 -0.0687213 0.1309989 -0.2470604 -2.8733110 0.7458470 0.1101884 0.7013645 -1.7183596 18 S -1.2538197 0.0885422 -0.0797872 0.0092870 -1.5428614 -0.2085267 0.2508231 -0.8236493 -2.5047642 19 S -1.2044754 0.0687213 0.1309989 0.2470604 -2.8733110 -0.7458470 0.1101884 -0.7013645 -1.7183596 20 S -1.2044754 -0.0687213 0.1309989 -0.2470604 -2.8733110 0.7458470 0.1101884 0.7013645 -1.7183596 21 S -3.4500954 0.2598033 -0.1689844 0.3420699 -0.7856078 0.1683571 -0.5434502 0.2941580 -1.1981197 22 S -1.2538197 -0.0885422 -0.0797872 -0.0092870 -1.5428614 0.2085267 0.2508231 0.8236493 -2.5047642 23 S -1.2538197 -0.0885422 -0.0797872 -0.0092870 -1.5428614 0.2085267 0.2508231 0.8236493 -2.5047642 24 S -3.4500954 -0.2598033 -0.1689844 -0.3420699 -0.7856078 -0.1683571 -0.5434502 -0.2941580 -1.1981197 25 S -1.2044754 0.0687213 0.1309989 0.2470604 -2.8733110 -0.7458470 0.1101884 -0.7013645 -1.7183596 26 S -3.4500954 0.2598033 -0.1689844 0.3420699 -0.7856078 0.1683571 -0.5434502 0.2941580 -1.1981197 27 S -1.2538197 0.0885422 -0.0797872 0.0092870 -1.5428614 -0.2085267 0.2508231 -0.8236493 -2.5047642 28 S -3.4500954 -0.2598033 -0.1689844 -0.3420699 -0.7856078 -0.1683571 -0.5434502 -0.2941580 -1.1981197 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 9 3 8 ] 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: 0.46, Number of G-points: 289, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/74) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.840 ( 0.000 0.000 0.000) 0.000 0.942 ( 0.000 0.000 0.000) 0.000 1.254 ( 0.000 0.000 0.000) 0.000 1.472 ( 0.000 0.000 0.000) 0.000 1.510 ( 0.000 0.000 0.000) 0.000 1.644 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 1.853 ( 0.000 0.000 0.000) 0.000 1.876 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.029 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.309 ( 0.000 0.000 0.000) 0.000 2.341 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.491 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.684 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.948 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.231 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.369 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.196 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 0.000) 0.000 5.309 ( 0.000 0.000 0.000) 0.000 5.338 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.787 ( 0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 5.974 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.038 ( 0.000 0.000 0.000) 0.000 7.736 ( 0.000 0.000 0.000) 0.000 7.742 ( 0.000 0.000 0.000) 0.000 7.745 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 8.339 ( 0.000 0.000 0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.821 ( 0.000 0.000 0.000) 0.000 8.840 ( 0.000 0.000 0.000) 0.000 8.897 ( 0.000 0.000 0.000) 0.000 8.931 ( 0.000 0.000 0.000) 0.000 9.189 ( 0.000 0.000 0.000) 0.000 9.208 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 9.349 ( 0.000 0.000 0.000) 0.000 9.360 ( 0.000 0.000 0.000) 0.000 9.463 ( 0.000 0.000 0.000) 0.000 9.945 ( 0.000 0.000 0.000) 0.000 10.301 ( 0.000 0.000 0.000) 0.000 10.453 ( 0.000 0.000 0.000) 0.000 10.457 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/74) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 16.907 0.000 11.258) 20.313 0.452 ( 8.689 0.000 28.545) 29.838 0.794 ( 34.969 0.000 10.692) 36.567 0.990 ( 11.004 0.000 5.417) 12.265 1.087 ( 8.126 0.000 10.582) 13.342 1.223 ( 0.331 0.000 -1.710) 1.741 1.444 ( 1.799 0.000 7.656) 7.865 1.676 ( 1.472 0.000 2.926) 3.276 1.738 ( 3.920 0.000 0.428) 3.944 1.801 ( 18.456 0.000 -0.590) 18.465 1.880 ( 7.382 0.000 -3.268) 8.073 1.884 ( 3.598 0.000 -4.004) 5.383 2.012 ( 8.945 0.000 -1.025) 9.004 2.014 ( 4.949 0.000 1.746) 5.248 2.064 ( 10.804 0.000 -3.416) 11.331 2.120 ( 5.304 0.000 -3.136) 6.162 2.147 ( 12.300 0.000 -1.591) 12.403 2.228 ( 10.776 0.000 -1.389) 10.865 2.321 ( 1.684 0.000 0.140) 1.690 2.364 ( 1.547 0.000 0.740) 1.715 2.479 ( 1.454 0.000 1.394) 2.014 2.505 ( 1.003 0.000 1.087) 1.480 2.622 ( 5.554 0.000 -5.876) 8.086 2.665 ( 4.903 0.000 -2.364) 5.443 2.671 ( 0.321 0.000 -3.187) 3.203 2.731 ( 6.196 0.000 -2.409) 6.648 2.774 ( 0.200 0.000 -0.394) 0.442 2.824 ( 5.218 0.000 -6.548) 8.373 2.884 ( 0.533 0.000 3.464) 3.504 2.907 ( 2.785 0.000 -5.399) 6.075 2.965 ( 2.781 0.000 -0.946) 2.937 3.013 ( 4.078 0.000 1.464) 4.333 3.090 ( -1.671 0.000 1.475) 2.229 3.151 ( -0.340 0.000 2.197) 2.223 3.198 ( 0.178 0.000 -7.263) 7.265 3.247 ( 1.898 0.000 -3.224) 3.741 3.251 ( 2.025 0.000 8.886) 9.114 3.373 ( 2.641 0.000 2.523) 3.653 3.445 ( 1.386 0.000 0.246) 1.408 3.492 ( 3.716 0.000 0.674) 3.777 3.591 ( 5.299 0.000 -1.263) 5.448 3.637 ( 2.950 0.000 6.754) 7.371 3.679 ( -0.178 0.000 2.867) 2.872 3.894 ( -0.414 0.000 -2.253) 2.291 4.077 ( -6.839 0.000 -1.061) 6.921 4.194 ( 1.502 0.000 -1.588) 2.186 4.386 ( 1.278 0.000 0.944) 1.589 4.524 ( -0.107 0.000 -1.305) 1.309 4.968 ( -1.507 0.000 0.583) 1.616 4.996 ( -0.548 0.000 -0.300) 0.625 5.011 ( -1.720 0.000 3.082) 3.529 5.152 ( -3.250 0.000 1.003) 3.401 5.189 ( -0.969 0.000 -0.269) 1.005 5.191 ( -1.774 0.000 0.856) 1.970 5.274 ( -3.692 0.000 0.653) 3.749 5.310 ( -3.196 0.000 0.740) 3.280 5.698 ( -4.422 0.000 -0.834) 4.500 5.797 ( -5.060 0.000 -2.789) 5.778 5.801 ( -1.350 0.000 -0.258) 1.375 5.862 ( -1.843 0.000 0.341) 1.874 5.935 ( -4.567 0.000 -0.096) 4.568 5.954 ( -1.588 0.000 0.323) 1.621 6.060 ( 0.233 0.000 -1.407) 1.426 6.199 ( -2.229 0.000 -4.727) 5.226 7.734 ( 0.034 0.000 -0.431) 0.433 7.853 ( 7.673 0.000 3.002) 8.240 7.875 ( -3.439 0.000 -1.995) 3.976 8.253 ( 4.654 0.000 -12.669) 13.496 8.338 ( 1.367 0.000 -2.852) 3.162 8.395 ( -6.081 0.000 8.017) 10.063 8.818 ( 0.177 0.000 -0.714) 0.736 8.852 ( 1.064 0.000 -0.747) 1.300 8.937 ( 3.766 0.000 0.553) 3.806 9.006 ( 4.992 0.000 -4.731) 6.878 9.178 ( -1.383 0.000 0.340) 1.424 9.193 ( -0.045 0.000 -1.978) 1.979 9.370 ( 0.843 0.000 2.728) 2.855 9.379 ( 0.467 0.000 2.346) 2.392 9.467 ( -12.415 0.000 20.610) 24.060 9.484 ( 0.425 0.000 2.479) 2.515 9.935 ( -1.493 0.000 0.673) 1.637 10.262 ( -3.076 0.000 -1.969) 3.652 10.303 ( -12.052 0.000 -3.519) 12.555 10.380 ( -6.125 0.000 -1.979) 6.436 ======================= Grid point 2 (3/74) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 15.019 0.000 8.959) 17.488 0.903 ( 8.645 0.000 26.364) 27.745 1.265 ( 10.189 0.000 8.523) 13.284 1.304 ( 7.610 0.000 3.002) 8.181 1.344 ( 9.857 0.000 13.217) 16.488 1.422 ( 16.363 0.000 9.926) 19.139 1.616 ( 6.207 0.000 8.438) 10.475 1.751 ( 2.488 0.000 4.154) 4.842 1.877 ( 9.066 0.000 1.622) 9.210 1.931 ( 5.332 0.000 -5.525) 7.679 1.976 ( 10.618 0.000 -2.411) 10.888 2.039 ( 2.277 0.000 1.279) 2.611 2.102 ( 7.336 0.000 -2.278) 7.682 2.157 ( 8.244 0.000 -3.690) 9.032 2.226 ( 9.388 0.000 -1.098) 9.452 2.230 ( 11.759 0.000 -2.342) 11.990 2.339 ( 2.032 0.000 -1.151) 2.335 2.348 ( 1.367 0.000 -3.713) 3.956 2.384 ( 11.173 0.000 -3.604) 11.740 2.393 ( 5.811 0.000 -5.882) 8.268 2.515 ( -1.675 0.000 1.213) 2.068 2.547 ( 4.179 0.000 1.396) 4.406 2.554 ( -3.566 0.000 -8.370) 9.098 2.689 ( 3.901 0.000 -4.703) 6.110 2.809 ( 10.161 0.000 -0.428) 10.170 2.829 ( 10.759 0.000 -1.044) 10.809 2.849 ( 8.970 0.000 -3.940) 9.797 2.906 ( 5.766 0.000 -6.042) 8.352 2.913 ( 3.105 0.000 -1.585) 3.486 2.989 ( 16.041 0.000 -0.028) 16.041 3.038 ( 3.103 0.000 -0.577) 3.157 3.113 ( 3.849 0.000 6.076) 7.192 3.123 ( 6.619 0.000 0.351) 6.628 3.154 ( 7.953 0.000 -10.216) 12.947 3.263 ( 6.255 0.000 6.448) 8.984 3.357 ( 4.381 0.000 0.779) 4.450 3.358 ( 11.335 0.000 0.026) 11.335 3.417 ( 0.771 0.000 -5.723) 5.775 3.550 ( 9.157 0.000 10.018) 13.572 3.590 ( 8.565 0.000 0.944) 8.617 3.721 ( 6.208 0.000 4.202) 7.496 3.752 ( 5.047 0.000 0.857) 5.120 3.810 ( 10.058 0.000 2.879) 10.461 3.867 ( 1.502 0.000 -2.064) 2.553 3.964 ( -2.795 0.000 -0.560) 2.850 4.220 ( 3.180 0.000 -0.693) 3.254 4.430 ( 2.184 0.000 1.302) 2.542 4.508 ( 0.813 0.000 -2.750) 2.868 4.911 ( -4.185 0.000 -0.720) 4.247 4.958 ( -3.728 0.000 -0.813) 3.816 5.008 ( -3.315 0.000 1.539) 3.655 5.122 ( -1.790 0.000 2.060) 2.729 5.134 ( -5.060 0.000 -0.814) 5.126 5.183 ( -1.173 0.000 2.088) 2.395 5.213 ( -4.721 0.000 1.309) 4.899 5.258 ( -3.028 0.000 1.429) 3.348 5.575 ( -7.832 0.000 -1.089) 7.908 5.651 ( -9.067 0.000 -0.846) 9.107 5.711 ( -7.832 0.000 -0.813) 7.874 5.768 ( -8.700 0.000 -1.137) 8.774 5.851 ( -4.044 0.000 1.095) 4.190 5.933 ( -2.093 0.000 0.763) 2.228 5.978 ( -6.612 0.000 -2.634) 7.117 6.076 ( -6.222 0.000 -3.667) 7.222 7.731 ( 0.427 0.000 -0.726) 0.843 7.800 ( -2.171 0.000 -1.766) 2.799 8.002 ( 5.023 0.000 2.220) 5.492 8.199 ( 0.403 0.000 -5.345) 5.360 8.326 ( 0.239 0.000 -1.940) 1.954 8.367 ( -2.966 0.000 2.165) 3.673 8.809 ( -0.064 0.000 -1.484) 1.486 8.844 ( -0.120 0.000 -2.501) 2.504 9.021 ( 4.440 0.000 0.662) 4.489 9.053 ( 3.821 0.000 -1.453) 4.088 9.156 ( -0.830 0.000 -0.270) 0.873 9.175 ( -0.657 0.000 0.021) 0.657 9.419 ( 0.710 0.000 3.024) 3.107 9.423 ( 0.870 0.000 3.688) 3.789 9.464 ( -5.747 0.000 9.365) 10.988 9.518 ( 0.388 0.000 2.227) 2.261 9.913 ( -1.995 0.000 1.401) 2.438 10.054 ( -10.347 0.000 -2.741) 10.704 10.163 ( -4.640 0.000 -3.059) 5.558 10.242 ( -6.354 0.000 -2.213) 6.728 ======================= Grid point 3 (4/74) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 12.223 0.000 8.474) 14.874 1.296 ( 6.581 0.000 21.264) 22.260 1.502 ( 6.035 0.000 8.337) 10.292 1.515 ( 9.352 0.000 6.095) 11.163 1.614 ( 7.086 0.000 10.015) 12.268 1.687 ( 5.088 0.000 5.853) 7.755 1.802 ( 5.959 0.000 4.805) 7.655 1.832 ( 3.715 0.000 -2.011) 4.224 1.929 ( 0.509 0.000 -1.963) 2.028 2.018 ( 5.981 0.000 -1.692) 6.215 2.070 ( -0.846 0.000 1.849) 2.034 2.099 ( 4.449 0.000 -4.711) 6.480 2.146 ( 0.065 0.000 -1.410) 1.412 2.247 ( 4.537 0.000 1.406) 4.750 2.265 ( -2.880 0.000 -4.962) 5.738 2.319 ( -1.015 0.000 0.256) 1.047 2.358 ( 3.053 0.000 -2.640) 4.036 2.402 ( 1.465 0.000 -7.927) 8.061 2.411 ( 3.792 0.000 -6.220) 7.285 2.437 ( 7.596 0.000 -0.708) 7.629 2.482 ( 2.187 0.000 -2.531) 3.345 2.503 ( 2.562 0.000 2.214) 3.386 2.633 ( 3.364 0.000 1.189) 3.568 2.653 ( -1.457 0.000 -3.558) 3.845 2.868 ( 1.214 0.000 -4.499) 4.660 2.901 ( 2.633 0.000 -0.879) 2.776 2.982 ( 6.193 0.000 -0.911) 6.259 3.005 ( 3.071 0.000 -2.462) 3.936 3.053 ( 13.265 0.000 -1.711) 13.375 3.129 ( 10.549 0.000 -0.592) 10.566 3.182 ( 2.245 0.000 0.393) 2.279 3.224 ( 4.890 0.000 -1.232) 5.042 3.291 ( 4.395 0.000 2.443) 5.029 3.311 ( 0.281 0.000 -4.513) 4.522 3.399 ( 7.299 0.000 6.005) 9.452 3.468 ( 22.223 0.000 -1.002) 22.245 3.552 ( 18.617 0.000 -0.470) 18.622 3.628 ( 14.964 0.000 -1.644) 15.054 3.772 ( 2.156 0.000 2.137) 3.036 3.838 ( 5.296 0.000 -0.349) 5.307 3.859 ( 14.155 0.000 0.130) 14.155 3.868 ( 16.116 0.000 2.615) 16.327 3.983 ( 7.757 0.000 2.844) 8.262 4.010 ( 15.895 0.000 -0.402) 15.900 4.103 ( 15.415 0.000 0.709) 15.431 4.315 ( 7.899 0.000 1.876) 8.119 4.482 ( 2.755 0.000 -1.621) 3.197 4.504 ( 2.069 0.000 -0.359) 2.100 4.812 ( -6.675 0.000 -0.413) 6.688 4.829 ( -9.800 0.000 -0.584) 9.817 4.885 ( -10.861 0.000 0.147) 10.862 4.978 ( -11.584 0.000 -0.429) 11.592 5.122 ( -2.984 0.000 2.436) 3.852 5.147 ( -4.442 0.000 1.774) 4.783 5.157 ( -3.938 0.000 0.956) 4.053 5.220 ( -3.646 0.000 0.512) 3.682 5.418 ( -8.374 0.000 -0.551) 8.392 5.472 ( -9.346 0.000 -0.562) 9.363 5.534 ( -10.542 0.000 -0.022) 10.542 5.563 ( -11.272 0.000 -1.736) 11.405 5.806 ( -8.104 0.000 -2.526) 8.488 5.808 ( -1.840 0.000 0.288) 1.862 5.892 ( -3.398 0.000 1.391) 3.672 5.916 ( -7.073 0.000 -2.941) 7.659 7.734 ( 0.810 0.000 -0.738) 1.096 7.762 ( -0.593 0.000 -1.003) 1.166 8.077 ( 1.529 0.000 1.414) 2.082 8.161 ( 0.291 0.000 -2.872) 2.886 8.310 ( -0.125 0.000 -1.107) 1.114 8.338 ( -1.706 0.000 0.231) 1.722 8.781 ( -1.038 0.000 -1.930) 2.191 8.805 ( -0.644 0.000 -2.600) 2.678 9.096 ( 2.969 0.000 0.505) 3.012 9.105 ( 2.894 0.000 -0.362) 2.916 9.146 ( -0.336 0.000 0.321) 0.465 9.169 ( -0.428 0.000 0.547) 0.695 9.462 ( -2.969 0.000 5.493) 6.244 9.466 ( 1.015 0.000 2.752) 2.933 9.469 ( 0.376 0.000 2.271) 2.302 9.541 ( 0.282 0.000 0.955) 0.996 9.899 ( -5.242 0.000 -0.380) 5.256 9.902 ( -1.041 0.000 2.094) 2.338 10.046 ( -4.313 0.000 -3.472) 5.537 10.114 ( -5.279 0.000 -2.339) 5.774 ======================= Grid point 4 (5/74) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 6.898 0.000 6.952) 9.793 1.561 ( 3.017 0.000 9.913) 10.361 1.656 ( 2.349 0.000 7.433) 7.796 1.716 ( 3.763 0.000 4.103) 5.567 1.752 ( 0.502 0.000 -1.915) 1.980 1.788 ( 2.869 0.000 3.707) 4.687 1.791 ( 2.453 0.000 -7.779) 8.157 1.904 ( -0.086 0.000 1.815) 1.817 1.971 ( 3.461 0.000 1.327) 3.707 2.046 ( 1.157 0.000 -4.632) 4.774 2.047 ( -4.558 0.000 1.257) 4.728 2.086 ( -0.401 0.000 -1.260) 1.322 2.089 ( 1.258 0.000 -1.953) 2.323 2.145 ( -3.855 0.000 -4.142) 5.658 2.308 ( 0.104 0.000 -0.385) 0.399 2.319 ( 1.301 0.000 1.447) 1.945 2.354 ( -0.070 0.000 -1.118) 1.120 2.393 ( -0.935 0.000 -1.576) 1.832 2.431 ( 4.930 0.000 -1.845) 5.264 2.475 ( -1.467 0.000 0.666) 1.611 2.478 ( 1.524 0.000 1.077) 1.866 2.594 ( -1.187 0.000 -2.345) 2.628 2.616 ( 1.996 0.000 1.679) 2.609 2.702 ( 3.209 0.000 0.071) 3.210 2.838 ( 0.356 0.000 -2.733) 2.756 2.930 ( 1.018 0.000 0.139) 1.027 3.009 ( 0.293 0.000 -1.161) 1.197 3.079 ( 3.225 0.000 2.392) 4.015 3.163 ( 1.877 0.000 -4.041) 4.456 3.174 ( -0.640 0.000 -2.203) 2.295 3.259 ( 2.360 0.000 1.124) 2.614 3.284 ( 4.600 0.000 -1.894) 4.975 3.297 ( 1.960 0.000 -1.276) 2.339 3.316 ( -1.959 0.000 3.205) 3.756 3.541 ( 2.297 0.000 2.890) 3.691 3.757 ( 3.931 0.000 -1.093) 4.080 3.783 ( 0.938 0.000 0.865) 1.276 3.869 ( 14.279 0.000 1.252) 14.334 3.914 ( 13.927 0.000 -0.702) 13.944 3.959 ( 7.701 0.000 -0.832) 7.746 4.096 ( 10.468 0.000 0.736) 10.494 4.168 ( 12.343 0.000 -0.682) 12.361 4.170 ( 8.803 0.000 -0.505) 8.817 4.273 ( 9.534 0.000 -1.524) 9.655 4.355 ( 10.752 0.000 1.335) 10.835 4.511 ( 3.108 0.000 -0.511) 3.149 4.550 ( 12.211 0.000 1.414) 12.293 4.577 ( 1.342 0.000 1.071) 1.717 4.631 ( -10.945 0.000 -0.847) 10.978 4.640 ( -6.944 0.000 1.346) 7.073 4.680 ( -10.323 0.000 0.482) 10.334 4.755 ( -9.667 0.000 -1.234) 9.746 5.055 ( -7.470 0.000 0.561) 7.491 5.058 ( -4.991 0.000 1.499) 5.211 5.070 ( -5.230 0.000 0.788) 5.289 5.108 ( -7.992 0.000 0.313) 7.998 5.282 ( -4.547 0.000 -1.120) 4.683 5.346 ( -3.065 0.000 -0.881) 3.189 5.369 ( -4.946 0.000 -1.409) 5.143 5.417 ( -3.503 0.000 0.314) 3.517 5.687 ( -2.735 0.000 -0.731) 2.831 5.789 ( -0.393 0.000 -0.127) 0.413 5.796 ( -3.098 0.000 -1.029) 3.264 5.857 ( -1.647 0.000 0.932) 1.892 7.741 ( 0.549 0.000 -0.389) 0.673 7.751 ( -0.150 0.000 -0.244) 0.287 8.099 ( 0.080 0.000 0.566) 0.572 8.147 ( 0.331 0.000 -0.983) 1.037 8.301 ( 0.041 0.000 -0.420) 0.422 8.316 ( -0.736 0.000 -0.073) 0.740 8.744 ( -0.733 0.000 -1.031) 1.266 8.777 ( -0.267 0.000 -0.928) 0.966 9.134 ( 1.022 0.000 0.124) 1.030 9.141 ( 1.080 0.000 0.029) 1.081 9.147 ( -0.066 0.000 0.285) 0.293 9.169 ( -0.117 0.000 0.212) 0.242 9.468 ( -0.924 0.000 2.050) 2.249 9.489 ( 0.091 0.000 0.605) 0.611 9.509 ( 0.916 0.000 1.690) 1.922 9.544 ( -0.275 0.000 -0.370) 0.461 9.850 ( -1.127 0.000 0.878) 1.428 9.927 ( 1.134 0.000 2.449) 2.699 9.952 ( -2.117 0.000 -2.216) 3.064 10.007 ( -3.552 0.000 -2.474) 4.329 ======================= Grid point 9 (6/74) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 0.000 19.226 0.000) 19.226 0.390 ( 0.000 20.301 0.000) 20.301 0.677 ( 0.000 14.911 0.000) 14.911 0.704 ( 0.000 3.477 0.000) 3.477 0.745 ( 0.000 -13.842 0.000) 13.842 1.269 ( 0.000 -24.717 0.000) 24.717 1.382 ( 0.000 9.292 0.000) 9.292 1.547 ( 0.000 -7.957 0.000) 7.957 1.561 ( 0.000 7.352 0.000) 7.352 1.685 ( 0.000 -4.581 0.000) 4.581 1.821 ( 0.000 -1.040 0.000) 1.040 1.837 ( 0.000 -1.520 0.000) 1.520 1.859 ( 0.000 3.377 0.000) 3.377 1.929 ( 0.000 -3.966 0.000) 3.966 2.094 ( 0.000 3.044 0.000) 3.044 2.132 ( 0.000 2.566 0.000) 2.566 2.151 ( 0.000 4.832 0.000) 4.832 2.155 ( 0.000 1.747 0.000) 1.747 2.293 ( 0.000 -1.831 0.000) 1.831 2.295 ( 0.000 -3.396 0.000) 3.396 2.446 ( 0.000 -0.086 0.000) 0.086 2.468 ( 0.000 -2.085 0.000) 2.085 2.589 ( 0.000 -1.357 0.000) 1.357 2.591 ( 0.000 -0.942 0.000) 0.942 2.693 ( 0.000 0.540 0.000) 0.540 2.706 ( 0.000 -0.650 0.000) 0.650 2.778 ( 0.000 3.300 0.000) 3.300 2.834 ( 0.000 -1.552 0.000) 1.552 2.899 ( 0.000 3.271 0.000) 3.271 2.936 ( 0.000 -0.906 0.000) 0.906 2.997 ( 0.000 3.790 0.000) 3.790 3.073 ( 0.000 -2.451 0.000) 2.451 3.084 ( 0.000 3.523 0.000) 3.523 3.149 ( 0.000 -2.401 0.000) 2.401 3.158 ( 0.000 0.530 0.000) 0.530 3.196 ( 0.000 -3.993 0.000) 3.993 3.278 ( 0.000 1.586 0.000) 1.586 3.330 ( 0.000 -2.921 0.000) 2.921 3.403 ( 0.000 2.154 0.000) 2.154 3.448 ( 0.000 -2.833 0.000) 2.833 3.602 ( 0.000 1.888 0.000) 1.888 3.623 ( 0.000 0.652 0.000) 0.652 3.737 ( 0.000 9.215 0.000) 9.215 3.898 ( 0.000 -5.185 0.000) 5.185 4.133 ( 0.000 -1.538 0.000) 1.538 4.136 ( 0.000 -2.916 0.000) 2.916 4.522 ( 0.000 1.680 0.000) 1.680 4.537 ( 0.000 0.032 0.000) 0.032 4.977 ( 0.000 0.380 0.000) 0.380 4.985 ( 0.000 -0.393 0.000) 0.393 5.161 ( 0.000 1.269 0.000) 1.269 5.185 ( 0.000 -1.090 0.000) 1.090 5.194 ( 0.000 0.226 0.000) 0.226 5.198 ( 0.000 -0.247 0.000) 0.247 5.328 ( 0.000 0.276 0.000) 0.276 5.334 ( 0.000 -0.334 0.000) 0.334 5.748 ( 0.000 0.729 0.000) 0.729 5.770 ( 0.000 -1.408 0.000) 1.408 5.817 ( 0.000 1.610 0.000) 1.610 5.851 ( 0.000 -1.721 0.000) 1.721 5.993 ( 0.000 1.690 0.000) 1.690 6.023 ( 0.000 -1.310 0.000) 1.310 6.056 ( 0.000 1.522 0.000) 1.522 6.083 ( 0.000 -1.188 0.000) 1.188 7.743 ( 0.000 0.070 0.000) 0.070 7.745 ( 0.000 -0.084 0.000) 0.084 7.937 ( 0.000 1.020 0.000) 1.020 7.959 ( 0.000 -1.093 0.000) 1.093 8.348 ( 0.000 0.839 0.000) 0.839 8.364 ( 0.000 -0.741 0.000) 0.741 8.843 ( 0.000 0.385 0.000) 0.385 8.853 ( 0.000 -0.668 0.000) 0.668 8.908 ( 0.000 0.955 0.000) 0.955 8.925 ( 0.000 -0.687 0.000) 0.687 9.210 ( 0.000 0.202 0.000) 0.202 9.214 ( 0.000 -0.237 0.000) 0.237 9.348 ( 0.000 0.112 0.000) 0.112 9.349 ( 0.000 -0.027 0.000) 0.027 9.471 ( 0.000 0.784 0.000) 0.784 9.488 ( 0.000 -0.879 0.000) 0.879 10.326 ( 0.000 2.503 0.000) 2.503 10.386 ( 0.000 -3.715 0.000) 3.715 10.512 ( 0.000 2.519 0.000) 2.519 10.548 ( 0.000 -1.255 0.000) 1.255 ======================= Grid point 10 (7/74) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 9.358 13.593 11.420) 20.069 0.622 ( 12.407 11.940 13.761) 22.042 0.850 ( 6.825 -16.286 7.519) 19.192 0.862 ( 12.649 -11.264 7.207) 18.407 1.023 ( 22.296 19.951 10.245) 31.625 1.330 ( 6.303 -4.022 3.840) 8.405 1.451 ( 2.201 3.072 8.195) 9.024 1.581 ( 2.042 -7.376 3.820) 8.554 1.701 ( 11.440 -1.905 -1.578) 11.704 1.750 ( 8.683 -4.494 -2.219) 10.026 1.891 ( 6.719 2.995 -1.039) 7.429 1.925 ( 4.600 2.250 -0.747) 5.175 1.961 ( 11.642 -2.882 -1.674) 12.110 1.979 ( 11.341 -2.311 -1.258) 11.642 2.089 ( 3.958 3.719 -3.488) 6.455 2.133 ( 7.413 -0.048 -5.262) 9.091 2.213 ( 6.253 2.790 -2.832) 7.409 2.258 ( 1.982 -2.170 1.129) 3.148 2.312 ( 9.960 4.632 -1.971) 11.160 2.378 ( 7.512 -0.179 2.458) 7.906 2.454 ( 0.347 -1.595 0.839) 1.835 2.476 ( 0.694 -2.807 1.183) 3.124 2.614 ( 5.450 -1.100 -1.963) 5.896 2.624 ( 3.851 -2.041 -1.875) 4.744 2.670 ( 1.808 1.755 -4.983) 5.584 2.713 ( 1.042 -2.880 -3.550) 4.689 2.814 ( 4.873 3.691 -3.483) 7.035 2.841 ( 3.956 0.906 -4.398) 5.984 2.907 ( 2.716 0.594 -3.992) 4.864 2.935 ( 2.825 -1.326 0.538) 3.167 2.972 ( -1.433 5.226 0.600) 5.452 3.057 ( 1.298 0.722 -2.318) 2.753 3.075 ( -0.706 -0.170 2.145) 2.264 3.125 ( -1.111 -2.455 0.967) 2.863 3.208 ( 0.853 -0.563 0.177) 1.037 3.230 ( 1.228 -1.542 3.143) 3.710 3.256 ( 1.457 -0.679 -4.238) 4.532 3.275 ( 1.972 -0.090 1.478) 2.466 3.482 ( 3.989 0.988 2.328) 4.724 3.521 ( 7.195 -1.674 3.765) 8.291 3.629 ( 1.622 2.342 2.757) 3.965 3.649 ( 0.806 -0.074 4.250) 4.327 3.733 ( 0.125 8.660 -0.028) 8.661 3.878 ( -1.045 -3.653 -1.638) 4.138 4.066 ( -4.999 -0.637 -1.127) 5.164 4.100 ( 0.899 -5.241 -2.030) 5.692 4.463 ( -1.189 4.463 -0.467) 4.643 4.514 ( -0.815 -1.276 -1.164) 1.909 4.970 ( -1.242 1.039 0.932) 1.868 4.997 ( -1.517 -1.404 2.194) 3.015 5.055 ( -2.565 4.354 -0.686) 5.100 5.125 ( -3.266 -2.822 0.031) 4.317 5.190 ( -1.121 0.068 0.533) 1.243 5.191 ( -1.460 -0.034 0.639) 1.594 5.285 ( -3.614 0.940 0.705) 3.800 5.302 ( -3.350 -0.789 0.746) 3.522 5.712 ( -4.059 1.502 -1.046) 4.452 5.754 ( -3.888 -2.798 -1.823) 5.125 5.825 ( -1.079 1.559 -0.205) 1.907 5.854 ( -1.247 -1.204 -0.096) 1.736 5.934 ( -4.867 0.250 0.266) 4.880 5.945 ( -3.634 -0.728 0.330) 3.721 6.095 ( 0.622 3.123 -1.590) 3.559 6.159 ( -0.162 -3.414 -2.822) 4.433 7.754 ( -0.175 1.935 -0.342) 1.972 7.799 ( 0.917 -2.854 0.239) 3.007 7.961 ( 4.485 6.482 0.414) 7.893 8.120 ( 7.653 -10.509 -2.869) 13.313 8.340 ( -0.371 0.547 -0.574) 0.875 8.358 ( -2.133 -1.376 2.203) 3.361 8.844 ( -0.208 1.101 -0.764) 1.356 8.852 ( 0.736 -0.034 -0.671) 0.997 8.949 ( 3.903 1.162 0.220) 4.078 8.977 ( 4.539 -1.855 -1.074) 5.020 9.187 ( -1.009 0.448 -1.440) 1.814 9.192 ( -0.476 -0.125 -1.792) 1.859 9.372 ( 0.558 0.288 3.246) 3.307 9.378 ( 0.253 -0.241 3.706) 3.722 9.481 ( -2.992 0.777 5.842) 6.610 9.490 ( -2.779 0.022 5.655) 6.301 10.118 ( -15.231 12.660 -2.313) 19.940 10.268 ( -12.714 -3.706 -3.972) 13.826 10.287 ( -4.331 2.387 -1.513) 5.171 10.350 ( -6.482 -3.228 -2.011) 7.515 ======================= Grid point 11 (8/74) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 12.968 6.828 11.638) 18.715 0.986 ( 8.663 4.156 18.175) 20.559 1.115 ( 11.837 -8.411 9.467) 17.335 1.185 ( 10.942 -7.428 11.165) 17.308 1.456 ( 10.751 7.715 9.649) 16.377 1.538 ( 9.203 4.567 7.104) 12.491 1.616 ( 5.022 0.043 9.075) 10.372 1.685 ( 3.065 -4.895 6.139) 8.429 1.892 ( 10.994 0.462 0.782) 11.031 1.916 ( 9.760 -1.240 -2.604) 10.177 1.964 ( 6.326 0.345 -3.572) 7.273 2.012 ( 5.033 -3.461 -1.612) 6.318 2.130 ( 3.303 2.933 -2.817) 5.239 2.167 ( 12.975 1.966 -3.545) 13.593 2.190 ( 7.798 -3.391 -1.693) 8.671 2.220 ( 8.657 -2.774 -4.607) 10.191 2.307 ( 6.906 2.497 -1.460) 7.487 2.343 ( 7.296 -0.749 -3.593) 8.167 2.425 ( 0.388 2.277 -0.323) 2.333 2.453 ( 4.500 1.905 -1.433) 5.092 2.485 ( 1.718 -0.581 -2.819) 3.352 2.534 ( 1.457 -1.759 -4.089) 4.683 2.616 ( 1.400 3.934 -1.690) 4.504 2.672 ( 1.724 -2.369 -2.262) 3.702 2.782 ( 14.395 -0.707 -2.619) 14.648 2.790 ( 11.577 -1.125 -0.690) 11.652 2.879 ( 4.552 -0.834 -6.379) 7.880 2.884 ( 6.578 -0.535 -4.963) 8.258 2.966 ( 1.307 3.576 -0.218) 3.814 2.980 ( 11.077 0.959 -0.586) 11.134 3.055 ( 9.085 -0.265 0.262) 9.093 3.092 ( 4.500 0.008 -0.076) 4.501 3.122 ( 5.598 -0.503 2.831) 6.294 3.160 ( 8.140 -1.215 -3.700) 9.023 3.241 ( 3.226 -2.006 -2.091) 4.337 3.267 ( 7.960 -4.297 -5.718) 10.701 3.365 ( 8.147 0.907 5.091) 9.649 3.383 ( 5.131 -0.712 5.070) 7.248 3.640 ( 10.731 4.767 2.876) 12.089 3.675 ( 2.733 3.512 2.323) 5.020 3.716 ( 5.888 0.052 1.800) 6.157 3.765 ( 8.623 -4.001 1.726) 9.661 3.777 ( 5.460 4.551 2.431) 7.512 3.858 ( 2.325 -2.149 -0.073) 3.167 4.005 ( 0.202 4.701 -0.101) 4.706 4.132 ( 3.626 -7.609 0.282) 8.433 4.461 ( 1.094 2.287 -0.439) 2.573 4.496 ( 0.715 -1.297 -2.172) 2.629 4.922 ( -4.343 1.148 -0.650) 4.539 4.946 ( -4.438 -1.204 -0.757) 4.661 5.039 ( -2.669 2.848 1.108) 4.057 5.093 ( -2.839 -2.443 0.680) 3.806 5.149 ( -3.390 0.972 0.965) 3.656 5.168 ( -2.342 -1.071 1.704) 3.088 5.229 ( -3.843 1.229 1.464) 4.292 5.250 ( -3.306 -0.848 1.463) 3.713 5.590 ( -7.738 1.580 -1.163) 7.983 5.627 ( -8.145 -2.060 -1.118) 8.476 5.730 ( -8.462 1.556 -0.725) 8.634 5.758 ( -8.737 -1.144 -1.022) 8.871 5.859 ( -4.011 1.083 1.034) 4.281 5.894 ( -3.698 -2.477 0.577) 4.488 6.021 ( -5.435 2.771 -2.545) 6.610 6.062 ( -5.859 -1.502 -3.285) 6.883 7.744 ( 0.009 1.336 -0.812) 1.563 7.777 ( -1.096 -1.960 -1.209) 2.551 8.056 ( 3.736 5.029 0.732) 6.307 8.156 ( 1.575 -4.619 -3.019) 5.738 8.326 ( -0.158 0.164 -1.141) 1.163 8.341 ( -1.608 -1.600 1.189) 2.561 8.826 ( -0.403 1.208 -1.917) 2.301 8.841 ( -0.280 -0.406 -2.340) 2.391 9.029 ( 4.267 0.718 0.311) 4.338 9.044 ( 3.956 -0.831 -0.647) 4.094 9.161 ( -0.731 0.471 -0.368) 0.944 9.171 ( -0.662 -0.450 -0.159) 0.816 9.420 ( 0.090 0.266 4.100) 4.110 9.425 ( 0.197 -0.102 4.164) 4.169 9.482 ( -3.327 1.644 5.750) 6.843 9.509 ( -0.570 -0.984 2.841) 3.061 9.953 ( -5.216 3.778 0.363) 6.450 10.024 ( -9.281 -3.121 -1.799) 9.956 10.182 ( -4.931 1.849 -2.815) 5.971 10.221 ( -5.803 -1.958 -2.371) 6.567 ======================= Grid point 12 (9/74) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 11.813 5.631 9.375) 16.099 1.316 ( 7.111 -0.854 17.197) 18.629 1.417 ( 10.296 -4.034 8.094) 13.704 1.455 ( 6.173 -4.136 10.401) 12.782 1.681 ( 6.373 4.669 6.814) 10.433 1.733 ( 4.762 2.739 5.314) 7.643 1.783 ( 4.647 -2.392 4.857) 7.135 1.802 ( 3.349 -1.966 3.836) 5.458 1.952 ( 1.850 3.365 -4.519) 5.930 2.027 ( 4.288 -0.923 -3.394) 5.545 2.056 ( 2.637 -0.877 0.669) 2.858 2.082 ( 3.101 -4.248 -1.032) 5.360 2.125 ( 0.312 1.690 -3.666) 4.049 2.175 ( -1.314 -3.869 -3.385) 5.306 2.307 ( 4.172 4.050 -0.121) 5.815 2.346 ( 0.502 1.143 -1.439) 1.905 2.357 ( 1.680 -0.022 -2.584) 3.083 2.380 ( 1.110 -1.333 -4.795) 5.099 2.433 ( 4.537 0.640 -2.879) 5.412 2.462 ( 5.319 -0.826 -1.259) 5.528 2.502 ( 0.391 1.181 -1.412) 1.882 2.518 ( 4.648 1.361 -3.466) 5.955 2.632 ( 0.824 3.124 -1.098) 3.412 2.684 ( 0.328 0.140 1.932) 1.964 2.875 ( 2.393 0.115 -4.098) 4.747 2.899 ( 2.070 -0.803 -4.810) 5.298 2.949 ( 3.383 -0.368 0.221) 3.410 2.982 ( 5.770 -1.966 -2.424) 6.560 3.050 ( 10.928 1.617 -1.821) 11.196 3.147 ( 5.015 -7.144 -0.583) 8.748 3.173 ( 8.307 2.360 -1.130) 8.710 3.192 ( 6.059 0.424 -1.236) 6.198 3.272 ( 3.296 1.156 -0.182) 3.498 3.306 ( 0.670 -1.726 4.171) 4.563 3.431 ( 17.473 2.134 1.077) 17.636 3.463 ( 22.300 -1.028 -0.809) 22.339 3.564 ( 12.634 1.359 -0.321) 12.711 3.597 ( 12.053 -2.111 -0.459) 12.245 3.750 ( 5.260 -0.182 1.656) 5.518 3.783 ( 7.283 -3.175 -0.467) 7.958 3.912 ( 12.401 4.129 1.296) 13.134 3.956 ( 13.570 2.726 0.594) 13.854 3.973 ( 10.750 0.543 0.611) 10.781 4.025 ( 13.972 -1.127 -0.558) 14.028 4.126 ( 12.469 4.885 3.021) 13.729 4.252 ( 8.732 -6.284 2.891) 11.140 4.489 ( 2.705 0.541 -1.350) 3.071 4.498 ( 2.414 -0.442 -0.797) 2.580 4.811 ( -7.779 0.108 -0.399) 7.790 4.819 ( -9.026 -0.686 -0.679) 9.078 4.918 ( -10.813 2.602 -0.152) 11.123 4.961 ( -11.229 -1.784 -0.384) 11.376 5.131 ( -3.073 0.742 2.322) 3.922 5.143 ( -3.486 -0.444 1.940) 4.014 5.169 ( -4.807 1.315 0.839) 5.054 5.201 ( -4.265 -1.764 0.683) 4.666 5.434 ( -8.244 1.451 -0.695) 8.400 5.460 ( -8.753 -1.175 -0.686) 8.858 5.543 ( -10.829 0.777 -0.432) 10.865 5.557 ( -11.183 -0.612 -1.310) 11.276 5.798 ( -5.022 -0.201 -0.779) 5.086 5.803 ( -4.324 -0.593 -0.474) 4.390 5.902 ( -4.789 0.855 -0.284) 4.873 5.914 ( -6.322 -0.296 -2.116) 6.674 7.740 ( 0.521 0.606 -0.757) 1.101 7.754 ( -0.164 -0.752 -0.878) 1.167 8.101 ( 0.974 2.285 0.447) 2.524 8.144 ( 0.322 -1.836 -1.743) 2.552 8.312 ( -0.195 0.312 -0.797) 0.878 8.325 ( -0.883 -0.997 -0.056) 1.333 8.789 ( -1.062 0.721 -2.210) 2.555 8.801 ( -0.836 -0.428 -2.519) 2.689 9.098 ( 2.900 0.163 0.330) 2.923 9.102 ( 2.829 -0.249 -0.077) 2.841 9.153 ( -0.284 0.601 0.351) 0.751 9.164 ( -0.364 -0.508 0.487) 0.792 9.457 ( -0.846 0.040 3.892) 3.983 9.462 ( -0.851 -0.311 3.935) 4.038 9.494 ( 0.057 1.864 2.048) 2.770 9.527 ( 0.127 -1.431 1.233) 1.894 9.897 ( -3.849 -0.038 0.372) 3.867 9.899 ( -2.571 -0.209 1.229) 2.858 10.064 ( -4.459 1.752 -3.026) 5.666 10.098 ( -4.975 -1.544 -2.501) 5.778 ======================= Grid point 13 (10/74) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 6.539 5.245 6.741) 10.757 1.579 ( 3.391 0.945 11.556) 12.081 1.604 ( 3.043 -5.007 4.764) 7.552 1.639 ( 5.023 -4.424 4.424) 8.023 1.789 ( 0.134 3.014 -6.125) 6.828 1.803 ( 1.508 1.806 -0.865) 2.507 1.840 ( 2.211 2.462 0.407) 3.334 1.886 ( 1.806 -2.048 1.191) 2.979 1.960 ( 0.703 -0.733 0.432) 1.104 1.988 ( -2.530 -4.173 0.439) 4.900 2.067 ( -1.638 1.154 0.707) 2.124 2.072 ( 0.384 0.539 -3.572) 3.633 2.102 ( -0.188 0.052 -1.485) 1.497 2.123 ( -0.326 -2.063 -1.817) 2.769 2.319 ( -0.261 0.897 -0.655) 1.141 2.339 ( 0.293 -1.233 -1.897) 2.281 2.357 ( 0.606 2.100 0.774) 2.319 2.369 ( 1.564 -0.376 -1.854) 2.454 2.417 ( -0.939 0.704 -1.185) 1.668 2.466 ( -0.168 -1.946 -1.721) 2.603 2.570 ( 2.924 4.359 1.913) 5.587 2.626 ( 0.164 3.953 -0.905) 4.059 2.637 ( 3.800 0.615 3.901) 5.480 2.699 ( 0.178 0.188 -1.407) 1.430 2.862 ( 0.332 1.188 -2.512) 2.798 2.889 ( 1.117 -3.395 -2.043) 4.117 2.967 ( -0.551 -2.170 1.149) 2.516 3.001 ( 1.087 -4.362 -2.933) 5.368 3.158 ( 2.547 0.861 -1.125) 2.914 3.196 ( 1.836 -2.639 -0.002) 3.215 3.249 ( 2.229 2.213 -1.158) 3.348 3.278 ( 2.679 -0.849 -1.145) 3.035 3.325 ( 2.177 2.311 1.135) 3.371 3.345 ( -0.245 0.522 1.770) 1.862 3.586 ( 2.447 4.725 1.632) 5.565 3.698 ( 2.781 -6.492 0.192) 7.065 3.786 ( 5.051 2.517 0.547) 5.670 3.838 ( 10.195 -2.556 1.294) 10.590 3.940 ( 14.731 1.657 -1.543) 14.904 3.967 ( 11.618 -0.651 -1.470) 11.729 4.109 ( 8.893 1.403 1.052) 9.064 4.139 ( 6.562 -1.544 0.723) 6.780 4.213 ( 11.110 3.161 -1.831) 11.695 4.260 ( 9.876 -1.497 -1.947) 10.177 4.382 ( 10.094 2.715 1.406) 10.547 4.456 ( 7.085 -4.786 0.956) 8.603 4.557 ( 5.064 2.007 1.673) 5.699 4.592 ( 5.944 -0.928 2.246) 6.422 4.634 ( -7.936 0.650 -0.443) 7.975 4.643 ( -8.686 0.097 -1.000) 8.744 4.698 ( -10.790 1.863 0.098) 10.951 4.737 ( -10.360 -1.834 -0.939) 10.563 5.052 ( -6.894 -0.170 0.644) 6.926 5.053 ( -6.200 -0.267 0.893) 6.270 5.081 ( -5.415 0.900 0.948) 5.571 5.099 ( -6.899 -0.879 0.595) 6.981 5.296 ( -4.693 1.298 -1.311) 5.042 5.324 ( -4.375 -1.595 -1.406) 4.865 5.390 ( -3.814 1.388 -0.542) 4.095 5.411 ( -3.528 -0.719 0.095) 3.602 5.704 ( -2.397 1.755 -0.695) 3.051 5.747 ( -1.813 -2.562 -0.675) 3.210 5.828 ( -1.868 1.498 -0.137) 2.398 5.849 ( -1.737 -0.804 0.569) 1.997 7.744 ( 0.385 0.207 -0.346) 0.557 7.748 ( 0.036 -0.243 -0.273) 0.367 8.111 ( 0.036 1.212 0.199) 1.229 8.136 ( 0.148 -1.158 -0.576) 1.302 8.304 ( -0.028 0.311 -0.330) 0.454 8.311 ( -0.405 -0.400 -0.153) 0.589 8.753 ( -0.639 0.847 -1.037) 1.484 8.770 ( -0.403 -0.768 -0.982) 1.310 9.135 ( 1.019 0.121 0.156) 1.038 9.138 ( 1.064 -0.189 0.179) 1.096 9.154 ( -0.067 0.554 0.149) 0.577 9.164 ( -0.114 -0.476 0.180) 0.521 9.473 ( -0.661 0.508 1.950) 2.121 9.483 ( -0.141 -0.503 1.366) 1.462 9.517 ( 0.590 0.798 0.732) 1.234 9.534 ( -0.027 -0.915 -0.138) 0.926 9.865 ( -0.735 1.482 1.035) 1.952 9.899 ( 0.046 -1.983 1.344) 2.397 9.976 ( -1.935 1.497 -1.546) 2.894 9.999 ( -2.997 -0.889 -2.149) 3.793 ======================= Grid point 27 (11/74) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 3.207 0.000 17.392) 17.685 0.428 ( 0.501 0.000 21.500) 21.505 0.797 ( -1.326 0.000 38.302) 38.325 0.919 ( 0.132 0.000 7.734) 7.735 1.150 ( 0.718 0.000 18.259) 18.273 1.268 ( -3.560 0.000 1.750) 3.967 1.463 ( 2.665 0.000 -0.396) 2.695 1.566 ( 0.570 0.000 2.774) 2.832 1.681 ( 2.184 0.000 3.948) 4.512 1.742 ( -1.692 0.000 -4.154) 4.485 1.793 ( -0.480 0.000 -1.675) 1.743 1.807 ( -2.345 0.000 -1.953) 3.052 1.850 ( 1.828 0.000 -1.954) 2.676 1.956 ( 2.729 0.000 -6.441) 6.995 1.988 ( -6.176 0.000 -2.113) 6.527 2.008 ( 0.213 0.000 -2.699) 2.707 2.084 ( -3.724 0.000 3.976) 5.447 2.139 ( 3.731 0.000 2.139) 4.300 2.300 ( 0.959 0.000 -0.166) 0.973 2.336 ( -0.677 0.000 -0.139) 0.692 2.475 ( 0.740 0.000 -0.985) 1.232 2.523 ( -0.998 0.000 -6.131) 6.211 2.544 ( -3.271 0.000 3.147) 4.539 2.614 ( -0.631 0.000 -2.299) 2.384 2.635 ( -0.285 0.000 -3.430) 3.442 2.666 ( 0.822 0.000 -1.562) 1.765 2.703 ( -1.527 0.000 -11.857) 11.955 2.806 ( -1.479 0.000 1.023) 1.798 2.835 ( -0.161 0.000 -4.430) 4.433 2.857 ( 2.209 0.000 -2.946) 3.683 2.914 ( 0.824 0.000 -3.328) 3.429 2.969 ( 2.363 0.000 1.735) 2.931 3.137 ( -1.303 0.000 -3.902) 4.114 3.181 ( -2.555 0.000 -0.357) 2.580 3.197 ( -2.134 0.000 2.406) 3.216 3.251 ( -3.318 0.000 -0.968) 3.457 3.279 ( 0.724 0.000 3.896) 3.963 3.395 ( 0.351 0.000 6.416) 6.426 3.454 ( 4.022 0.000 4.759) 6.231 3.456 ( 1.670 0.000 0.535) 1.754 3.487 ( -1.593 0.000 -2.996) 3.394 3.689 ( -0.793 0.000 5.158) 5.219 3.715 ( -0.058 0.000 3.570) 3.571 3.886 ( -0.591 0.000 -2.158) 2.237 4.098 ( 1.541 0.000 -2.077) 2.586 4.242 ( -3.981 0.000 1.396) 4.219 4.370 ( 0.951 0.000 0.124) 0.959 4.485 ( 1.482 0.000 -4.837) 5.059 4.998 ( -0.008 0.000 -0.199) 0.199 5.003 ( -0.882 0.000 2.187) 2.358 5.066 ( 0.416 0.000 0.067) 0.421 5.185 ( -0.346 0.000 -0.662) 0.747 5.186 ( 0.569 0.000 -0.839) 1.014 5.304 ( 0.025 0.000 0.510) 0.511 5.313 ( 0.583 0.000 0.269) 0.641 5.340 ( 0.273 0.000 0.093) 0.289 5.734 ( -0.514 0.000 -0.760) 0.918 5.775 ( -6.341 0.000 -1.583) 6.536 5.796 ( 0.514 0.000 -0.460) 0.690 5.860 ( 0.357 0.000 -1.152) 1.206 5.974 ( 0.360 0.000 0.163) 0.395 5.978 ( 0.163 0.000 0.134) 0.211 6.038 ( -0.516 0.000 0.040) 0.518 6.055 ( 9.336 0.000 -1.500) 9.456 7.738 ( -0.652 0.000 0.248) 0.698 7.760 ( 3.894 0.000 1.267) 4.095 7.813 ( 16.590 0.000 1.068) 16.625 7.901 ( -1.292 0.000 -2.172) 2.527 8.357 ( -2.246 0.000 1.502) 2.702 8.505 ( -2.507 0.000 -0.855) 2.649 8.796 ( 0.758 0.000 -2.591) 2.700 8.807 ( 1.576 0.000 -3.329) 3.683 8.913 ( 1.377 0.000 1.539) 2.065 8.938 ( -1.174 0.000 1.045) 1.572 9.170 ( 0.655 0.000 -1.382) 1.530 9.197 ( -0.802 0.000 -0.709) 1.070 9.390 ( 0.343 0.000 4.144) 4.158 9.402 ( 0.215 0.000 3.375) 3.382 9.525 ( -0.854 0.000 5.456) 5.523 9.960 ( -0.214 0.000 1.374) 1.391 10.036 ( -7.728 0.000 -1.470) 7.867 10.261 ( 0.292 0.000 -4.034) 4.045 10.415 ( -2.490 0.000 -6.436) 6.901 10.419 ( -0.413 0.000 -3.712) 3.735 ======================= Grid point 28 (12/74) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 7.998 0.000 16.753) 18.564 0.878 ( 23.776 0.000 15.055) 28.142 1.135 ( 12.443 0.000 9.593) 15.712 1.236 ( 1.400 0.000 3.054) 3.359 1.250 ( 9.633 0.000 28.926) 30.488 1.386 ( 3.552 0.000 16.666) 17.040 1.558 ( 6.429 0.000 2.015) 6.738 1.677 ( 7.675 0.000 -4.811) 9.059 1.759 ( 7.026 0.000 -1.469) 7.178 1.815 ( 8.203 0.000 -2.251) 8.506 1.816 ( 2.748 0.000 0.420) 2.780 1.835 ( 8.628 0.000 4.787) 9.867 1.964 ( 6.691 0.000 -2.387) 7.104 2.018 ( 9.421 0.000 -0.691) 9.447 2.033 ( 10.172 0.000 -2.810) 10.553 2.059 ( 5.605 0.000 0.865) 5.672 2.117 ( 7.774 0.000 0.919) 7.828 2.208 ( 3.552 0.000 -0.364) 3.571 2.331 ( 1.191 0.000 1.076) 1.605 2.365 ( 2.003 0.000 -1.136) 2.302 2.459 ( 3.702 0.000 -2.771) 4.624 2.484 ( 4.806 0.000 -7.299) 8.740 2.556 ( -1.303 0.000 0.390) 1.360 2.558 ( -1.608 0.000 -7.841) 8.005 2.609 ( 6.681 0.000 -3.352) 7.475 2.652 ( 7.857 0.000 -4.476) 9.042 2.729 ( 4.636 0.000 2.667) 5.348 2.785 ( 1.561 0.000 -5.310) 5.535 2.814 ( 2.656 0.000 -1.794) 3.205 2.863 ( 1.457 0.000 -2.701) 3.069 2.895 ( 4.268 0.000 -5.831) 7.226 3.037 ( 3.032 0.000 1.134) 3.238 3.044 ( -0.481 0.000 -7.094) 7.110 3.161 ( 0.832 0.000 -0.226) 0.862 3.217 ( 3.237 0.000 3.213) 4.561 3.240 ( -0.373 0.000 6.128) 6.140 3.324 ( 1.596 0.000 1.755) 2.372 3.414 ( -3.022 0.000 -1.230) 3.263 3.487 ( 3.290 0.000 -0.185) 3.296 3.536 ( 3.888 0.000 8.406) 9.262 3.609 ( 7.971 0.000 2.124) 8.250 3.734 ( -0.962 0.000 1.483) 1.768 3.746 ( 1.779 0.000 3.150) 3.618 3.856 ( -0.503 0.000 -0.720) 0.878 4.041 ( -5.168 0.000 -1.513) 5.385 4.194 ( -0.502 0.000 0.797) 0.942 4.399 ( 1.991 0.000 -0.140) 1.996 4.454 ( 1.357 0.000 -5.084) 5.262 4.970 ( -3.258 0.000 -0.642) 3.321 4.989 ( -0.922 0.000 -0.436) 1.020 5.064 ( -1.575 0.000 2.159) 2.672 5.167 ( -1.560 0.000 0.739) 1.726 5.175 ( -1.172 0.000 -1.070) 1.587 5.237 ( -3.355 0.000 3.400) 4.776 5.289 ( -3.298 0.000 0.735) 3.379 5.322 ( -2.020 0.000 0.429) 2.065 5.679 ( -4.499 0.000 -0.992) 4.607 5.745 ( -2.369 0.000 -2.295) 3.298 5.777 ( -2.204 0.000 -2.070) 3.024 5.841 ( -1.365 0.000 -2.510) 2.857 5.949 ( -3.956 0.000 1.678) 4.297 5.969 ( -1.245 0.000 1.068) 1.640 6.029 ( -1.638 0.000 -1.410) 2.161 6.101 ( -0.165 0.000 -4.505) 4.509 7.728 ( -0.499 0.000 -0.154) 0.522 7.831 ( -2.970 0.000 -2.133) 3.656 7.895 ( 7.797 0.000 1.114) 7.876 8.054 ( 10.195 0.000 -6.088) 11.875 8.331 ( -1.662 0.000 0.685) 1.798 8.442 ( -3.341 0.000 -0.167) 3.346 8.779 ( 0.945 0.000 -3.171) 3.309 8.799 ( 1.616 0.000 -4.336) 4.627 8.965 ( 2.386 0.000 2.329) 3.335 8.981 ( 3.348 0.000 0.817) 3.447 9.159 ( -0.162 0.000 -0.977) 0.990 9.183 ( -0.288 0.000 -0.218) 0.361 9.448 ( 0.121 0.000 4.393) 4.394 9.449 ( 0.468 0.000 4.915) 4.937 9.557 ( -1.523 0.000 4.263) 4.527 9.769 ( -16.582 0.000 8.549) 18.656 9.959 ( -1.555 0.000 1.697) 2.301 10.181 ( -4.542 0.000 -5.811) 7.375 10.221 ( -7.808 0.000 -4.251) 8.890 10.320 ( -4.935 0.000 -4.018) 6.364 ======================= Grid point 29 (13/74) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 10.174 0.000 12.226) 15.905 1.352 ( 9.951 0.000 17.718) 20.321 1.399 ( 9.166 0.000 6.887) 11.465 1.454 ( 9.744 0.000 10.182) 14.093 1.608 ( 4.810 0.000 11.312) 12.292 1.641 ( 7.304 0.000 7.546) 10.502 1.666 ( 6.909 0.000 -7.190) 9.972 1.738 ( 5.317 0.000 -1.857) 5.632 1.904 ( 6.206 0.000 1.937) 6.502 1.919 ( 2.815 0.000 3.581) 4.555 1.931 ( 9.686 0.000 -2.644) 10.040 2.079 ( 1.874 0.000 1.899) 2.668 2.099 ( 10.610 0.000 1.500) 10.715 2.113 ( 11.766 0.000 1.313) 11.839 2.195 ( 8.198 0.000 -2.133) 8.471 2.226 ( 10.914 0.000 0.331) 10.919 2.229 ( 2.070 0.000 -5.878) 6.231 2.264 ( 4.909 0.000 -1.278) 5.073 2.355 ( 0.454 0.000 0.073) 0.460 2.357 ( -0.579 0.000 1.895) 1.981 2.412 ( 0.655 0.000 -4.836) 4.880 2.517 ( -0.529 0.000 -0.938) 1.077 2.572 ( 5.384 0.000 -0.090) 5.385 2.601 ( 4.047 0.000 -4.545) 6.086 2.739 ( 11.120 0.000 -5.663) 12.479 2.799 ( 10.231 0.000 -3.186) 10.716 2.820 ( 10.843 0.000 -0.627) 10.861 2.839 ( 4.233 0.000 1.527) 4.500 2.893 ( 3.159 0.000 1.615) 3.548 2.929 ( 7.314 0.000 -11.004) 13.213 2.982 ( 20.067 0.000 -0.428) 20.071 3.046 ( 10.728 0.000 -0.446) 10.737 3.120 ( 5.810 0.000 -0.382) 5.822 3.235 ( 5.545 0.000 1.567) 5.762 3.332 ( -0.275 0.000 0.474) 0.548 3.345 ( 4.107 0.000 0.982) 4.223 3.379 ( 5.019 0.000 3.356) 6.037 3.398 ( 5.601 0.000 4.168) 6.981 3.580 ( 10.837 0.000 -2.549) 11.133 3.711 ( 3.322 0.000 -1.769) 3.763 3.741 ( 6.211 0.000 6.918) 9.297 3.767 ( 4.729 0.000 0.959) 4.825 3.828 ( 9.223 0.000 -0.541) 9.239 3.864 ( 1.668 0.000 -0.163) 1.676 3.980 ( 0.418 0.000 1.695) 1.746 4.235 ( 3.288 0.000 1.388) 3.569 4.405 ( 2.352 0.000 -5.479) 5.962 4.464 ( 2.516 0.000 0.409) 2.549 4.899 ( -4.011 0.000 -0.497) 4.042 4.941 ( -4.123 0.000 -1.097) 4.266 5.019 ( -4.911 0.000 0.095) 4.912 5.112 ( -4.462 0.000 -1.327) 4.655 5.168 ( -0.539 0.000 2.393) 2.453 5.224 ( -2.645 0.000 1.827) 3.215 5.236 ( -3.954 0.000 0.869) 4.048 5.280 ( -3.149 0.000 0.897) 3.274 5.564 ( -7.425 0.000 0.140) 7.426 5.633 ( -7.985 0.000 -0.982) 8.045 5.680 ( -5.844 0.000 -1.987) 6.172 5.724 ( -8.156 0.000 -3.019) 8.697 5.885 ( -5.295 0.000 2.057) 5.681 5.926 ( -7.175 0.000 -2.377) 7.559 5.954 ( -2.133 0.000 1.060) 2.382 5.999 ( -5.283 0.000 -3.993) 6.622 7.722 ( 0.127 0.000 -0.144) 0.192 7.773 ( -1.547 0.000 -0.832) 1.756 8.018 ( 5.447 0.000 -0.544) 5.474 8.103 ( 2.854 0.000 -4.038) 4.944 8.315 ( -0.906 0.000 0.637) 1.108 8.388 ( -2.871 0.000 0.442) 2.905 8.761 ( 0.705 0.000 -3.264) 3.339 8.771 ( 0.848 0.000 -4.518) 4.597 9.042 ( 3.476 0.000 1.440) 3.762 9.050 ( 3.128 0.000 0.925) 3.262 9.150 ( -0.068 0.000 -0.282) 0.290 9.176 ( -0.192 0.000 -0.334) 0.385 9.494 ( -0.357 0.000 4.607) 4.621 9.498 ( -0.448 0.000 3.842) 3.868 9.565 ( -1.347 0.000 2.289) 2.656 9.631 ( -9.142 0.000 6.792) 11.389 9.946 ( -1.830 0.000 1.894) 2.634 10.004 ( -7.195 0.000 -2.356) 7.571 10.089 ( -4.268 0.000 -4.136) 5.944 10.186 ( -5.411 0.000 -3.396) 6.388 ======================= Grid point 30 (14/74) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 9.487 0.000 7.739) 12.243 1.602 ( 1.657 0.000 8.096) 8.263 1.644 ( 8.678 0.000 7.487) 11.462 1.660 ( 4.011 0.000 -8.944) 9.802 1.670 ( 3.570 0.000 6.757) 7.642 1.702 ( 1.989 0.000 -6.209) 6.520 1.783 ( 3.063 0.000 6.694) 7.361 1.837 ( 6.705 0.000 -0.580) 6.730 1.982 ( -0.392 0.000 1.724) 1.768 1.992 ( 3.422 0.000 0.835) 3.522 2.020 ( 4.978 0.000 -0.876) 5.054 2.079 ( -1.383 0.000 0.010) 1.383 2.124 ( -2.494 0.000 -3.371) 4.193 2.196 ( -3.946 0.000 -3.823) 5.494 2.289 ( 4.460 0.000 -0.866) 4.543 2.289 ( 5.258 0.000 -1.012) 5.354 2.316 ( 2.037 0.000 2.688) 3.372 2.343 ( 2.155 0.000 -0.363) 2.186 2.350 ( 2.812 0.000 1.963) 3.429 2.471 ( 2.113 0.000 1.962) 2.884 2.478 ( 2.329 0.000 2.101) 3.137 2.561 ( 7.076 0.000 4.656) 8.470 2.566 ( 0.306 0.000 -4.965) 4.974 2.639 ( 3.330 0.000 -0.304) 3.344 2.802 ( 2.421 0.000 -1.222) 2.712 2.902 ( 3.762 0.000 -5.175) 6.398 2.950 ( 2.513 0.000 2.767) 3.738 2.971 ( 10.351 0.000 -1.382) 10.443 3.043 ( 10.378 0.000 2.307) 10.631 3.047 ( 10.668 0.000 -2.813) 11.032 3.189 ( 3.934 0.000 -1.931) 4.382 3.266 ( 0.842 0.000 4.365) 4.446 3.308 ( 1.015 0.000 3.676) 3.813 3.345 ( 4.118 0.000 2.187) 4.662 3.457 ( 22.500 0.000 -0.811) 22.514 3.463 ( 15.581 0.000 1.608) 15.664 3.553 ( 11.358 0.000 -0.657) 11.376 3.579 ( 12.625 0.000 -2.234) 12.822 3.729 ( 5.828 0.000 -3.673) 6.889 3.848 ( 17.109 0.000 -2.998) 17.370 3.856 ( 6.785 0.000 2.134) 7.113 3.917 ( 8.233 0.000 0.607) 8.255 4.013 ( 8.143 0.000 0.911) 8.193 4.014 ( 15.307 0.000 1.609) 15.392 4.122 ( 13.108 0.000 0.781) 13.131 4.348 ( 8.956 0.000 0.876) 8.999 4.406 ( 4.328 0.000 -4.459) 6.214 4.525 ( 3.503 0.000 0.838) 3.602 4.795 ( -7.596 0.000 -1.153) 7.683 4.812 ( -8.652 0.000 -1.218) 8.737 4.894 ( -10.058 0.000 0.775) 10.088 4.970 ( -11.011 0.000 -0.465) 11.021 5.157 ( -3.867 0.000 1.291) 4.077 5.163 ( -4.480 0.000 -0.380) 4.496 5.172 ( -3.832 0.000 0.442) 3.857 5.227 ( -4.439 0.000 0.207) 4.444 5.425 ( -9.884 0.000 0.896) 9.925 5.461 ( -9.127 0.000 0.311) 9.132 5.509 ( -10.995 0.000 -2.259) 11.225 5.548 ( -8.109 0.000 0.607) 8.131 5.764 ( -6.990 0.000 -1.761) 7.209 5.817 ( -3.404 0.000 0.506) 3.442 5.857 ( -5.450 0.000 -3.093) 6.266 5.913 ( -3.288 0.000 0.554) 3.335 7.730 ( 0.619 0.000 0.357) 0.715 7.757 ( -0.345 0.000 0.490) 0.599 8.081 ( 2.609 0.000 -0.950) 2.777 8.100 ( 1.740 0.000 -3.232) 3.671 8.311 ( -0.713 0.000 1.303) 1.485 8.350 ( -2.244 0.000 1.139) 2.516 8.732 ( 0.283 0.000 -2.839) 2.853 8.752 ( 1.267 0.000 -2.690) 2.973 9.106 ( 2.251 0.000 0.552) 2.318 9.108 ( 2.466 0.000 0.654) 2.552 9.147 ( 0.028 0.000 -0.477) 0.478 9.170 ( -0.052 0.000 -0.528) 0.531 9.506 ( -1.925 0.000 1.525) 2.456 9.531 ( -0.637 0.000 3.997) 4.048 9.558 ( -1.171 0.000 0.615) 1.323 9.567 ( -5.197 0.000 4.749) 7.040 9.895 ( -3.617 0.000 -0.594) 3.665 9.943 ( -0.674 0.000 1.935) 2.049 9.981 ( -3.320 0.000 -2.305) 4.042 10.058 ( -4.852 0.000 -3.263) 5.847 ======================= Grid point 31 (15/74) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -0.212 0.000 -7.049) 7.052 1.533 ( -4.466 0.000 -12.174) 12.967 1.642 ( -1.548 0.000 -2.924) 3.309 1.689 ( 2.971 0.000 -1.572) 3.362 1.765 ( 0.558 0.000 0.924) 1.080 1.822 ( -2.813 0.000 -0.536) 2.864 1.843 ( 4.452 0.000 7.585) 8.795 1.917 ( -2.171 0.000 -2.333) 3.187 1.951 ( 3.609 0.000 1.077) 3.766 2.025 ( -3.646 0.000 -4.493) 5.787 2.079 ( 3.249 0.000 2.981) 4.409 2.092 ( 0.399 0.000 0.066) 0.405 2.108 ( 1.765 0.000 4.639) 4.963 2.142 ( 1.130 0.000 5.392) 5.509 2.318 ( 0.611 0.000 0.381) 0.720 2.327 ( 0.282 0.000 -2.947) 2.961 2.353 ( 1.190 0.000 0.768) 1.417 2.355 ( -0.564 0.000 1.806) 1.892 2.426 ( 3.171 0.000 1.377) 3.457 2.503 ( -1.257 0.000 1.499) 1.956 2.505 ( 0.324 0.000 1.257) 1.298 2.563 ( 2.873 0.000 -0.420) 2.903 2.616 ( 0.124 0.000 -1.199) 1.205 2.738 ( 1.099 0.000 3.273) 3.452 2.853 ( 1.719 0.000 3.800) 4.171 2.938 ( 5.088 0.000 -3.462) 6.154 2.982 ( -2.276 0.000 4.169) 4.750 3.064 ( 2.403 0.000 -3.059) 3.890 3.161 ( 3.816 0.000 0.587) 3.861 3.192 ( 3.244 0.000 4.823) 5.812 3.244 ( 3.231 0.000 -1.857) 3.727 3.306 ( -0.501 0.000 3.570) 3.605 3.344 ( -1.578 0.000 4.708) 4.965 3.361 ( -1.953 0.000 1.545) 2.490 3.531 ( -0.003 0.000 -3.407) 3.407 3.715 ( 6.502 0.000 -2.177) 6.857 3.750 ( 2.076 0.000 -3.953) 4.465 3.888 ( 19.731 0.000 -0.307) 19.734 3.905 ( 15.337 0.000 -0.409) 15.342 3.989 ( -0.582 0.000 4.233) 4.273 4.075 ( 12.620 0.000 -2.234) 12.816 4.172 ( 12.054 0.000 0.934) 12.090 4.177 ( 9.919 0.000 0.898) 9.959 4.249 ( 8.749 0.000 -1.170) 8.827 4.350 ( 10.427 0.000 -1.648) 10.556 4.490 ( 7.576 0.000 -1.966) 7.827 4.539 ( 5.105 0.000 -2.371) 5.629 4.574 ( -2.163 0.000 -0.935) 2.357 4.630 ( -4.407 0.000 0.933) 4.505 4.659 ( -4.342 0.000 -0.154) 4.345 4.684 ( -11.065 0.000 -0.072) 11.065 4.741 ( -9.766 0.000 -0.153) 9.767 5.050 ( -8.976 0.000 -0.730) 9.005 5.056 ( -5.014 0.000 -1.894) 5.360 5.075 ( -6.330 0.000 -0.281) 6.337 5.094 ( -8.280 0.000 -1.560) 8.426 5.278 ( -3.259 0.000 0.954) 3.396 5.360 ( -2.819 0.000 0.469) 2.858 5.365 ( -3.596 0.000 2.414) 4.331 5.443 ( -4.900 0.000 2.059) 5.315 5.678 ( -1.394 0.000 -0.118) 1.399 5.773 ( -0.691 0.000 -1.312) 1.483 5.784 ( -0.228 0.000 -0.540) 0.586 5.858 ( -2.492 0.000 -0.672) 2.581 7.748 ( 0.409 0.000 1.001) 1.081 7.762 ( -0.395 0.000 1.405) 1.459 8.083 ( 0.533 0.000 -2.169) 2.234 8.120 ( 2.607 0.000 -1.898) 3.225 8.319 ( -0.544 0.000 2.351) 2.413 8.333 ( -1.518 0.000 1.983) 2.497 8.726 ( 1.391 0.000 -0.769) 1.590 8.759 ( 1.749 0.000 -0.959) 1.995 9.136 ( 0.680 0.000 -0.021) 0.680 9.140 ( 0.120 0.000 -1.032) 1.039 9.141 ( 0.834 0.000 0.008) 0.834 9.162 ( 0.073 0.000 -0.888) 0.891 9.471 ( -2.334 0.000 -0.335) 2.357 9.527 ( -1.883 0.000 -0.572) 1.968 9.530 ( -3.423 0.000 1.963) 3.946 9.559 ( -0.772 0.000 2.602) 2.714 9.842 ( -1.318 0.000 -1.240) 1.810 9.938 ( -2.484 0.000 -2.683) 3.656 9.948 ( 0.185 0.000 1.532) 1.543 9.983 ( 0.899 0.000 1.333) 1.608 ======================= Grid point 32 (16/74) ======================= q-point: (-0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -8.708 0.000 -14.846) 17.211 1.279 ( -7.139 0.000 -6.544) 9.684 1.544 ( -4.878 0.000 -4.520) 6.651 1.590 ( -6.250 0.000 -7.523) 9.781 1.681 ( -8.055 0.000 -6.322) 10.240 1.726 ( -3.625 0.000 -2.939) 4.667 1.834 ( -2.444 0.000 -8.708) 9.045 1.891 ( -5.707 0.000 0.760) 5.758 1.985 ( 1.331 0.000 6.844) 6.972 2.031 ( 1.574 0.000 0.268) 1.597 2.127 ( -3.923 0.000 1.143) 4.086 2.143 ( 3.019 0.000 3.310) 4.480 2.145 ( 1.776 0.000 0.462) 1.835 2.278 ( 2.953 0.000 9.376) 9.830 2.288 ( -1.598 0.000 -1.804) 2.410 2.335 ( 0.456 0.000 1.886) 1.940 2.378 ( 1.098 0.000 0.904) 1.422 2.385 ( 1.196 0.000 1.388) 1.832 2.464 ( 0.020 0.000 2.471) 2.471 2.516 ( 0.523 0.000 -0.632) 0.820 2.525 ( 0.322 0.000 4.392) 4.404 2.604 ( -3.703 0.000 4.866) 6.115 2.631 ( 3.627 0.000 2.317) 4.304 2.716 ( -5.290 0.000 1.756) 5.574 2.911 ( 0.157 0.000 2.428) 2.433 2.964 ( -2.305 0.000 2.591) 3.468 3.000 ( 2.018 0.000 0.847) 2.188 3.041 ( -1.167 0.000 -1.487) 1.890 3.207 ( -0.230 0.000 -0.025) 0.231 3.211 ( -1.641 0.000 -6.435) 6.641 3.271 ( -1.758 0.000 2.632) 3.165 3.298 ( -5.013 0.000 5.613) 7.526 3.328 ( -2.964 0.000 3.571) 4.641 3.383 ( -0.443 0.000 5.893) 5.910 3.441 ( -4.518 0.000 -5.412) 7.050 3.729 ( 0.006 0.000 -4.008) 4.008 3.747 ( -3.129 0.000 -1.264) 3.374 3.880 ( -13.527 0.000 1.267) 13.586 3.932 ( -12.601 0.000 0.913) 12.634 3.970 ( -9.076 0.000 0.422) 9.086 4.066 ( -9.496 0.000 -2.035) 9.712 4.157 ( -13.651 0.000 -2.274) 13.839 4.181 ( -12.488 0.000 -0.759) 12.511 4.299 ( -10.358 0.000 0.404) 10.366 4.338 ( -7.370 0.000 1.310) 7.485 4.506 ( -14.537 0.000 -2.832) 14.810 4.517 ( 0.338 0.000 -1.684) 1.718 4.538 ( -0.787 0.000 0.124) 0.797 4.622 ( 9.824 0.000 -1.066) 9.881 4.637 ( 12.869 0.000 -0.311) 12.872 4.666 ( 9.645 0.000 -0.823) 9.680 4.777 ( 7.695 0.000 0.673) 7.724 5.023 ( 3.657 0.000 -1.600) 3.992 5.037 ( 5.226 0.000 -1.841) 5.541 5.046 ( 7.213 0.000 -0.370) 7.223 5.088 ( 9.397 0.000 -1.467) 9.511 5.310 ( 4.047 0.000 1.327) 4.259 5.368 ( 2.121 0.000 0.374) 2.154 5.397 ( 4.926 0.000 0.906) 5.009 5.420 ( 2.328 0.000 -0.085) 2.330 5.710 ( 4.164 0.000 1.652) 4.479 5.795 ( 0.786 0.000 0.699) 1.052 5.818 ( 5.548 0.000 1.441) 5.732 5.825 ( 1.293 0.000 -1.998) 2.380 7.760 ( -0.702 0.000 1.412) 1.577 7.770 ( -0.290 0.000 1.669) 1.694 8.065 ( 0.332 0.000 -2.738) 2.758 8.146 ( 2.511 0.000 -1.468) 2.908 8.334 ( -1.189 0.000 2.934) 3.166 8.343 ( -0.375 0.000 3.046) 3.068 8.761 ( 2.287 0.000 0.512) 2.343 8.793 ( 2.192 0.000 0.517) 2.252 9.129 ( -1.124 0.000 -0.464) 1.216 9.133 ( 0.484 0.000 -0.999) 1.110 9.139 ( -0.827 0.000 -0.280) 0.873 9.154 ( 0.349 0.000 -1.260) 1.308 9.425 ( -1.660 0.000 -1.457) 2.208 9.477 ( -2.187 0.000 -1.658) 2.745 9.482 ( -2.633 0.000 -0.732) 2.733 9.559 ( -1.626 0.000 1.216) 2.031 9.837 ( 1.788 0.000 0.152) 1.794 9.876 ( -0.482 0.000 -2.558) 2.603 10.003 ( 3.165 0.000 2.428) 3.990 10.048 ( 3.860 0.000 1.667) 4.205 ======================= Grid point 33 (17/74) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -13.360 0.000 -12.825) 18.519 1.050 ( -13.803 0.000 -2.158) 13.971 1.379 ( -8.679 0.000 -3.416) 9.327 1.390 ( -6.310 0.000 -6.344) 8.947 1.431 ( -10.577 0.000 -7.621) 13.036 1.579 ( -8.860 0.000 -4.261) 9.831 1.680 ( -6.539 0.000 -6.767) 9.411 1.755 ( -4.985 0.000 -4.051) 6.424 2.014 ( -7.173 0.000 -1.661) 7.363 2.047 ( -1.868 0.000 2.559) 3.169 2.062 ( 0.298 0.000 3.826) 3.838 2.144 ( -3.296 0.000 0.027) 3.296 2.181 ( -1.882 0.000 1.437) 2.368 2.232 ( -2.734 0.000 -1.811) 3.280 2.335 ( -3.021 0.000 -0.467) 3.057 2.359 ( -1.713 0.000 1.575) 2.327 2.399 ( 1.306 0.000 -1.031) 1.664 2.420 ( -0.525 0.000 4.711) 4.740 2.498 ( -5.552 0.000 3.660) 6.649 2.549 ( -0.001 0.000 4.530) 4.530 2.551 ( -4.189 0.000 1.553) 4.468 2.572 ( 0.418 0.000 8.064) 8.075 2.660 ( -5.864 0.000 7.439) 9.473 2.740 ( 2.110 0.000 7.184) 7.487 2.906 ( -0.941 0.000 -1.643) 1.893 2.942 ( -3.394 0.000 2.137) 4.011 3.001 ( -3.517 0.000 -0.358) 3.535 3.044 ( 0.205 0.000 2.968) 2.975 3.045 ( -8.716 0.000 -3.825) 9.518 3.117 ( -9.949 0.000 0.509) 9.962 3.190 ( -4.255 0.000 -2.872) 5.134 3.237 ( -8.972 0.000 4.202) 9.907 3.249 ( -9.582 0.000 -6.178) 11.401 3.331 ( -6.323 0.000 4.185) 7.583 3.433 ( -3.994 0.000 5.832) 7.069 3.509 ( -14.799 0.000 2.667) 15.038 3.580 ( -17.977 0.000 2.169) 18.108 3.605 ( -14.760 0.000 -4.531) 15.440 3.640 ( -9.282 0.000 -8.575) 12.637 3.799 ( -16.855 0.000 -4.223) 17.376 3.856 ( -11.913 0.000 0.445) 11.922 3.893 ( -9.306 0.000 0.305) 9.311 3.914 ( -5.063 0.000 -1.554) 5.296 4.017 ( -14.771 0.000 0.878) 14.797 4.091 ( -17.359 0.000 -1.364) 17.413 4.309 ( -5.412 0.000 1.571) 5.636 4.461 ( -2.913 0.000 -1.312) 3.195 4.532 ( -0.736 0.000 -0.223) 0.769 4.821 ( 7.268 0.000 0.752) 7.306 4.838 ( 11.041 0.000 0.551) 11.055 4.880 ( 11.052 0.000 -0.429) 11.061 4.986 ( 12.098 0.000 0.168) 12.099 5.066 ( 2.039 0.000 -3.103) 3.713 5.110 ( 4.089 0.000 -1.655) 4.411 5.132 ( 3.067 0.000 -1.749) 3.531 5.205 ( 3.310 0.000 -1.147) 3.503 5.440 ( 8.397 0.000 1.123) 8.472 5.474 ( 9.549 0.000 0.174) 9.550 5.520 ( 11.264 0.000 -1.446) 11.356 5.576 ( 11.918 0.000 -0.630) 11.935 5.808 ( 0.952 0.000 0.190) 0.971 5.852 ( 8.716 0.000 1.748) 8.890 5.873 ( 3.971 0.000 -0.249) 3.979 5.970 ( 8.016 0.000 2.539) 8.408 7.755 ( -1.246 0.000 1.310) 1.808 7.791 ( 0.621 0.000 1.816) 1.920 8.028 ( -1.168 0.000 -3.427) 3.621 8.180 ( 3.265 0.000 -2.196) 3.935 8.345 ( -1.196 0.000 3.041) 3.268 8.372 ( -0.670 0.000 4.164) 4.217 8.801 ( 1.546 0.000 -0.010) 1.546 8.838 ( 1.871 0.000 0.342) 1.902 9.085 ( -3.087 0.000 -0.767) 3.180 9.112 ( -1.767 0.000 -0.233) 1.782 9.137 ( 0.910 0.000 -0.798) 1.211 9.158 ( 1.267 0.000 -0.122) 1.273 9.385 ( -0.996 0.000 -1.348) 1.676 9.422 ( -1.803 0.000 -1.818) 2.560 9.425 ( -2.102 0.000 -1.853) 2.802 9.530 ( -2.079 0.000 -0.006) 2.079 9.868 ( 1.613 0.000 -1.158) 1.985 9.918 ( 6.469 0.000 1.423) 6.624 10.098 ( 4.723 0.000 1.732) 5.031 10.148 ( 5.576 0.000 1.122) 5.688 ======================= Grid point 34 (18/74) ======================= q-point: (-0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -16.747 0.000 0.632) 16.759 0.734 ( -19.767 0.000 -0.107) 19.768 1.164 ( -11.714 0.000 -0.504) 11.725 1.185 ( -11.581 0.000 -2.684) 11.888 1.277 ( -2.618 0.000 0.679) 2.704 1.290 ( -20.003 0.000 -3.127) 20.246 1.470 ( -8.342 0.000 -4.749) 9.599 1.666 ( -0.913 0.000 -3.376) 3.497 1.868 ( -8.312 0.000 1.256) 8.406 2.001 ( -9.290 0.000 -0.271) 9.294 2.009 ( -4.961 0.000 1.499) 5.183 2.043 ( -6.714 0.000 1.538) 6.888 2.152 ( -3.743 0.000 1.767) 4.139 2.162 ( -1.899 0.000 -4.507) 4.891 2.205 ( -8.050 0.000 -4.191) 9.075 2.257 ( -9.908 0.000 0.059) 9.908 2.398 ( -1.427 0.000 0.272) 1.452 2.410 ( -7.101 0.000 3.130) 7.760 2.420 ( -8.503 0.000 5.004) 9.866 2.442 ( -14.366 0.000 1.773) 14.475 2.535 ( -0.032 0.000 0.673) 0.673 2.603 ( -10.749 0.000 7.540) 13.129 2.694 ( 1.658 0.000 6.043) 6.266 2.747 ( -6.082 0.000 -1.657) 6.304 2.823 ( -10.433 0.000 1.642) 10.561 2.853 ( -1.467 0.000 -4.210) 4.459 2.869 ( -7.434 0.000 1.936) 7.682 2.951 ( -10.743 0.000 3.689) 11.359 2.975 ( -1.262 0.000 -1.240) 1.769 2.995 ( -9.460 0.000 2.993) 9.922 3.019 ( -7.381 0.000 -4.114) 8.450 3.096 ( -2.139 0.000 4.195) 4.709 3.118 ( -7.621 0.000 -0.488) 7.637 3.175 ( -4.338 0.000 0.329) 4.350 3.265 ( -12.447 0.000 -7.913) 14.749 3.312 ( -7.857 0.000 0.835) 7.901 3.362 ( -7.019 0.000 4.020) 8.088 3.446 ( -6.774 0.000 -0.827) 6.824 3.474 ( -1.240 0.000 -1.117) 1.669 3.587 ( -5.909 0.000 1.550) 6.109 3.628 ( -7.350 0.000 -3.328) 8.069 3.692 ( -6.698 0.000 -3.899) 7.750 3.758 ( -10.567 0.000 -1.736) 10.708 3.924 ( -2.006 0.000 2.201) 2.978 3.986 ( 2.842 0.000 1.428) 3.180 4.265 ( -3.118 0.000 3.281) 4.526 4.402 ( -1.977 0.000 -1.331) 2.383 4.514 ( 0.292 0.000 -2.122) 2.142 4.932 ( 3.480 0.000 1.322) 3.722 4.971 ( 1.729 0.000 -1.040) 2.017 4.974 ( 3.183 0.000 0.711) 3.261 5.080 ( 2.990 0.000 -2.696) 4.026 5.137 ( 4.717 0.000 -0.549) 4.749 5.153 ( 2.466 0.000 -0.849) 2.608 5.193 ( 7.063 0.000 -0.657) 7.093 5.225 ( 2.410 0.000 -1.862) 3.045 5.598 ( 7.393 0.000 1.111) 7.476 5.666 ( 10.182 0.000 0.724) 10.208 5.709 ( 9.526 0.000 -0.687) 9.551 5.763 ( 8.590 0.000 -1.180) 8.670 5.845 ( 3.583 0.000 0.052) 3.584 5.929 ( 1.998 0.000 0.006) 1.998 6.011 ( 6.629 0.000 0.347) 6.639 6.124 ( 6.647 0.000 0.797) 6.695 7.748 ( -0.902 0.000 1.025) 1.365 7.836 ( 2.311 0.000 1.752) 2.900 7.937 ( -4.758 0.000 -4.065) 6.258 8.191 ( 2.855 0.000 -8.727) 9.182 8.356 ( -1.367 0.000 3.591) 3.843 8.415 ( -0.307 0.000 6.339) 6.346 8.813 ( 0.615 0.000 -1.182) 1.332 8.853 ( 0.472 0.000 -1.656) 1.722 9.007 ( -4.344 0.000 -1.180) 4.502 9.074 ( -1.620 0.000 -1.399) 2.141 9.149 ( 1.255 0.000 -0.574) 1.380 9.192 ( 1.534 0.000 1.024) 1.844 9.369 ( -0.896 0.000 1.760) 1.975 9.377 ( -1.792 0.000 1.225) 2.171 9.381 ( -1.059 0.000 -0.707) 1.274 9.495 ( -1.743 0.000 0.386) 1.786 9.899 ( 2.156 0.000 0.061) 2.157 10.097 ( 11.671 0.000 1.248) 11.738 10.198 ( 4.884 0.000 0.370) 4.898 10.268 ( 6.950 0.000 0.442) 6.964 ======================= Grid point 35 (19/74) ======================= q-point: (-0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( -18.404 0.000 9.502) 20.712 0.459 ( -11.582 0.000 27.200) 29.563 0.751 ( -35.016 0.000 7.142) 35.737 0.994 ( -12.472 0.000 3.659) 12.997 1.039 ( -5.989 0.000 8.294) 10.230 1.280 ( -1.304 0.000 1.768) 2.197 1.362 ( 0.846 0.000 2.517) 2.655 1.643 ( -0.064 0.000 0.180) 0.191 1.781 ( -2.729 0.000 2.319) 3.581 1.798 ( -18.470 0.000 -1.429) 18.525 1.908 ( -6.744 0.000 -0.109) 6.745 1.940 ( 0.168 0.000 3.373) 3.377 1.962 ( -9.003 0.000 -6.506) 11.108 2.003 ( -12.885 0.000 -0.175) 12.886 2.061 ( -2.795 0.000 -6.605) 7.172 2.127 ( -6.811 0.000 -0.629) 6.840 2.153 ( -11.950 0.000 1.927) 12.104 2.236 ( -13.822 0.000 -0.644) 13.837 2.318 ( -3.725 0.000 0.193) 3.730 2.366 ( -2.161 0.000 0.160) 2.166 2.485 ( -4.286 0.000 3.024) 5.245 2.564 ( -2.578 0.000 5.233) 5.833 2.630 ( -3.342 0.000 -5.172) 6.158 2.693 ( -5.759 0.000 -2.445) 6.256 2.703 ( -4.269 0.000 -2.087) 4.752 2.752 ( -6.398 0.000 -3.861) 7.473 2.776 ( -2.177 0.000 5.526) 5.939 2.815 ( -0.872 0.000 3.426) 3.535 2.891 ( -2.321 0.000 -9.331) 9.616 2.921 ( -5.005 0.000 -4.066) 6.449 2.938 ( -0.837 0.000 -3.006) 3.120 2.952 ( -3.022 0.000 -0.487) 3.061 3.117 ( -0.492 0.000 3.308) 3.344 3.154 ( 1.719 0.000 4.459) 4.779 3.220 ( -1.037 0.000 7.373) 7.446 3.239 ( -0.664 0.000 -1.021) 1.218 3.344 ( -1.876 0.000 1.484) 2.392 3.372 ( -1.607 0.000 1.075) 1.933 3.391 ( -4.018 0.000 -2.551) 4.759 3.481 ( -4.752 0.000 -1.043) 4.865 3.527 ( -0.176 0.000 -2.218) 2.225 3.660 ( -2.389 0.000 3.296) 4.071 3.665 ( 1.698 0.000 1.945) 2.581 3.913 ( -0.612 0.000 -0.698) 0.928 4.061 ( 4.231 0.000 -1.231) 4.407 4.258 ( -1.826 0.000 3.465) 3.917 4.368 ( -0.508 0.000 -0.695) 0.861 4.501 ( 1.531 0.000 -3.516) 3.835 4.966 ( 1.463 0.000 1.530) 2.117 4.998 ( 0.257 0.000 -0.150) 0.298 5.005 ( 0.388 0.000 2.594) 2.622 5.131 ( 6.065 0.000 -0.904) 6.132 5.180 ( 1.440 0.000 -1.145) 1.840 5.188 ( 0.994 0.000 0.241) 1.023 5.267 ( 3.933 0.000 -0.128) 3.935 5.299 ( 4.205 0.000 -0.351) 4.219 5.707 ( 3.844 0.000 0.037) 3.844 5.795 ( 1.135 0.000 -0.486) 1.235 5.839 ( 8.411 0.000 1.142) 8.488 5.849 ( 2.893 0.000 -0.742) 2.987 5.935 ( 4.641 0.000 -0.144) 4.643 5.951 ( 1.615 0.000 -0.413) 1.667 6.065 ( -0.226 0.000 -0.950) 0.976 6.178 ( -0.481 0.000 -7.969) 7.983 7.744 ( -0.616 0.000 0.694) 0.928 7.795 ( -5.582 0.000 -2.459) 6.099 7.898 ( 2.589 0.000 0.275) 2.603 7.993 ( -10.893 0.000 -21.238) 23.868 8.368 ( -1.589 0.000 3.015) 3.408 8.497 ( 1.521 0.000 4.817) 5.052 8.805 ( 0.686 0.000 -2.072) 2.183 8.828 ( -0.046 0.000 -2.826) 2.826 8.922 ( -3.068 0.000 -0.883) 3.192 9.006 ( -2.996 0.000 -4.118) 5.093 9.164 ( 1.162 0.000 -0.835) 1.431 9.213 ( 0.147 0.000 -0.388) 0.415 9.359 ( -0.521 0.000 1.704) 1.782 9.374 ( -0.270 0.000 1.648) 1.670 9.489 ( -0.949 0.000 3.357) 3.489 9.560 ( 12.512 0.000 26.318) 29.140 9.937 ( 1.359 0.000 0.888) 1.623 10.259 ( 3.739 0.000 -2.214) 4.346 10.326 ( 11.195 0.000 -1.167) 11.256 10.389 ( 6.124 0.000 -1.174) 6.235 ======================= Grid point 36 (20/74) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 0.814 14.213 11.337) 18.199 0.625 ( -0.340 15.519 15.249) 21.760 0.772 ( 0.038 -12.655 7.781) 14.855 0.929 ( -1.379 -15.545 14.807) 21.513 0.993 ( 0.910 18.220 27.381) 32.902 1.313 ( 2.209 -8.597 7.445) 11.586 1.505 ( 3.373 1.276 8.803) 9.514 1.553 ( -3.389 5.626 0.343) 6.577 1.600 ( -0.669 -4.836 3.697) 6.124 1.689 ( -2.120 -6.673 -0.434) 7.015 1.781 ( 1.114 0.958 -3.045) 3.381 1.800 ( -0.668 -0.610 -2.378) 2.544 1.884 ( -0.094 2.234 0.848) 2.392 1.946 ( 0.668 -4.132 1.039) 4.313 1.990 ( -2.042 2.179 -7.689) 8.249 2.022 ( -0.876 0.761 -6.481) 6.584 2.123 ( -0.392 4.718 -1.430) 4.946 2.180 ( 2.169 3.126 1.545) 4.106 2.254 ( 0.570 -3.080 -2.451) 3.977 2.305 ( 0.041 -4.035 0.259) 4.043 2.465 ( -0.176 0.831 -0.908) 1.243 2.509 ( -2.225 -2.959 2.170) 4.291 2.550 ( -0.497 0.883 -2.771) 2.951 2.574 ( -0.697 -2.129 -0.581) 2.315 2.642 ( -2.155 1.627 -2.569) 3.727 2.676 ( -1.856 -1.918 -4.835) 5.523 2.727 ( 0.618 2.679 -7.228) 7.733 2.753 ( 1.119 -0.499 -5.189) 5.332 2.827 ( 1.549 1.063 -5.205) 5.534 2.881 ( 1.329 -3.123 -2.997) 4.527 3.007 ( 0.302 4.864 0.540) 4.903 3.024 ( -1.173 4.389 -2.711) 5.291 3.142 ( -1.806 1.698 -2.264) 3.358 3.164 ( -2.841 -0.549 -0.234) 2.903 3.200 ( -1.453 -1.849 -2.624) 3.523 3.233 ( -1.226 -3.480 2.721) 4.584 3.271 ( -1.664 2.195 3.645) 4.569 3.322 ( -0.694 -2.864 7.810) 8.348 3.443 ( 4.171 -0.671 1.858) 4.615 3.447 ( 2.263 -0.991 1.025) 2.675 3.617 ( 1.079 6.682 1.486) 6.930 3.679 ( 0.553 -1.064 4.138) 4.308 3.764 ( -0.863 5.158 2.106) 5.637 3.869 ( 0.437 -3.510 -2.312) 4.226 4.079 ( -0.475 0.677 -1.145) 1.412 4.150 ( -3.270 -5.854 -0.361) 6.715 4.469 ( 0.206 4.302 -3.266) 5.405 4.498 ( 0.694 0.454 -4.344) 4.423 4.996 ( 0.045 1.570 1.885) 2.453 5.038 ( 0.287 -2.297 2.318) 3.276 5.081 ( -0.788 4.665 -2.856) 5.526 5.154 ( -0.434 -2.785 -1.983) 3.446 5.201 ( 0.530 1.094 0.314) 1.256 5.238 ( 0.659 -3.217 1.626) 3.664 5.333 ( 0.031 0.672 0.290) 0.733 5.343 ( 0.344 -0.268 0.330) 0.547 5.737 ( -0.567 0.566 -0.889) 1.196 5.757 ( -2.341 -1.398 -1.215) 2.985 5.813 ( 0.440 1.498 -0.598) 1.672 5.843 ( 0.349 -1.541 -0.921) 1.829 5.991 ( -0.429 1.462 -0.074) 1.526 6.005 ( -2.464 0.904 -1.472) 3.009 6.036 ( 1.944 0.200 -0.263) 1.972 6.050 ( 6.207 -0.601 -1.857) 6.507 7.756 ( 0.959 0.595 1.010) 1.514 7.761 ( 2.349 -0.050 1.333) 2.701 7.858 ( 8.701 3.324 -3.492) 9.948 7.896 ( 0.763 -0.850 -3.066) 3.272 8.377 ( -2.377 2.235 2.013) 3.833 8.441 ( -2.813 -4.503 2.309) 5.789 8.808 ( 1.400 0.468 -3.496) 3.795 8.810 ( 1.706 0.249 -3.491) 3.893 8.916 ( 0.733 0.487 1.409) 1.661 8.930 ( -0.216 -0.761 1.039) 1.305 9.181 ( -0.022 0.813 -1.439) 1.653 9.193 ( -0.611 -0.440 -0.974) 1.231 9.396 ( 0.332 0.528 3.966) 4.015 9.403 ( 0.325 -0.078 3.522) 3.537 9.554 ( -1.120 3.389 6.954) 7.816 9.674 ( -2.125 -10.644 10.405) 15.036 10.274 ( -0.305 3.473 -6.478) 7.357 10.295 ( -0.406 3.245 -7.547) 8.225 10.391 ( -2.510 1.535 -5.959) 6.646 10.434 ( -1.937 -0.805 -6.945) 7.255 ======================= Grid point 37 (21/74) ======================= q-point: ( 0.11 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 8.918 7.949 14.597) 18.862 0.955 ( 17.475 6.494 14.307) 23.500 1.000 ( 9.256 -11.158 10.869) 18.119 1.115 ( 8.118 -8.581 12.731) 17.367 1.376 ( 9.812 10.742 21.957) 26.340 1.473 ( 5.003 3.529 8.383) 10.381 1.597 ( 5.248 3.059 2.120) 6.434 1.662 ( 5.115 -1.967 0.019) 5.480 1.695 ( 9.498 -4.130 2.970) 10.774 1.726 ( 5.982 -5.823 1.753) 8.531 1.855 ( 3.838 2.360 -0.949) 4.604 1.896 ( 10.608 0.479 -1.003) 10.666 1.947 ( 6.152 0.004 1.594) 6.355 1.969 ( 7.568 -0.247 1.014) 7.639 2.013 ( 7.540 -2.245 -2.536) 8.266 2.044 ( 7.324 -3.417 -1.603) 8.239 2.154 ( 5.859 5.745 -2.655) 8.624 2.252 ( 1.525 -3.775 -1.783) 4.445 2.281 ( 6.882 5.058 -1.157) 8.619 2.380 ( 9.570 -4.294 -2.576) 10.801 2.450 ( 0.019 1.662 -1.224) 2.064 2.489 ( -0.586 -1.872 -2.177) 2.930 2.554 ( 2.464 1.904 -5.934) 6.701 2.580 ( 1.407 -0.354 -3.466) 3.757 2.613 ( 2.146 1.113 1.273) 2.732 2.634 ( 6.664 -1.410 -2.374) 7.214 2.706 ( 4.781 -0.214 -3.812) 6.119 2.739 ( 4.353 -2.759 -4.988) 7.172 2.826 ( 3.403 3.832 -3.945) 6.467 2.910 ( 4.997 -2.181 -2.143) 5.858 2.980 ( -0.879 5.452 -1.455) 5.711 3.003 ( 2.248 -0.223 -3.737) 4.367 3.045 ( 0.963 1.088 -6.605) 6.763 3.106 ( 0.913 -3.876 -5.092) 6.464 3.171 ( -2.154 -1.108 4.464) 5.078 3.217 ( -1.639 -6.383 2.384) 7.008 3.354 ( 1.815 5.362 7.425) 9.337 3.404 ( -0.014 -0.776 5.586) 5.639 3.511 ( 5.341 2.781 0.473) 6.041 3.578 ( 7.821 -3.271 1.940) 8.697 3.665 ( 1.938 6.531 1.857) 7.061 3.725 ( 0.292 -1.719 1.423) 2.251 3.769 ( -0.486 4.542 2.741) 5.327 3.851 ( -0.167 -1.589 -0.052) 1.599 4.038 ( -3.263 0.431 -0.729) 3.371 4.103 ( 0.133 -6.579 1.511) 6.751 4.436 ( 0.442 2.124 -2.474) 3.291 4.455 ( 0.589 -0.130 -4.336) 4.378 4.980 ( -2.754 1.125 -0.300) 2.990 4.998 ( -2.704 -0.141 -1.386) 3.042 5.076 ( -0.673 1.908 1.933) 2.798 5.126 ( -1.054 -2.831 0.060) 3.022 5.200 ( -1.534 1.387 0.968) 2.284 5.225 ( -2.628 -1.144 2.617) 3.882 5.299 ( -2.990 0.877 0.664) 3.185 5.315 ( -2.428 -0.709 0.505) 2.579 5.689 ( -4.106 1.049 -1.163) 4.395 5.717 ( -3.195 -1.904 -1.728) 4.101 5.800 ( -1.529 1.626 -2.208) 3.139 5.829 ( -1.287 -1.251 -2.430) 3.021 5.953 ( -3.935 0.381 1.622) 4.273 5.962 ( -2.907 -0.565 1.318) 3.242 6.051 ( -0.547 1.948 -2.310) 3.071 6.086 ( -0.106 -1.495 -3.764) 4.051 7.747 ( -0.901 1.920 -0.300) 2.142 7.792 ( -1.353 -2.727 -0.751) 3.135 7.947 ( 7.257 4.012 -1.215) 8.381 8.020 ( 9.280 -3.356 -4.280) 10.756 8.349 ( -2.192 1.982 0.995) 3.118 8.401 ( -3.054 -3.296 0.989) 4.601 8.792 ( 1.189 0.819 -3.978) 4.232 8.800 ( 1.470 -0.021 -4.299) 4.543 8.968 ( 2.750 0.315 1.942) 3.381 8.976 ( 3.192 -0.442 1.199) 3.438 9.165 ( -0.278 0.625 -0.714) 0.989 9.178 ( -0.319 -0.559 -0.342) 0.729 9.450 ( 0.476 0.347 4.302) 4.342 9.454 ( 0.410 0.122 4.500) 4.521 9.583 ( -3.032 2.978 5.478) 6.933 9.670 ( -7.718 -6.250 7.720) 12.578 10.076 ( -8.661 7.383 -1.976) 11.551 10.168 ( -8.035 -2.489 -5.478) 10.038 10.234 ( -4.943 2.291 -3.667) 6.568 10.291 ( -5.021 -2.896 -3.820) 6.942 ======================= Grid point 38 (22/74) ======================= q-point: ( 0.22 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 10.038 6.493 11.951) 16.903 1.268 ( 9.417 -10.049 10.283) 17.187 1.380 ( 9.949 2.660 15.725) 18.797 1.434 ( 9.232 -2.572 12.139) 15.466 1.629 ( 6.288 2.135 1.955) 6.922 1.660 ( 6.778 -0.139 -0.594) 6.806 1.717 ( 4.627 3.415 1.997) 6.088 1.746 ( 4.464 0.248 0.131) 4.473 1.885 ( 8.056 0.130 2.101) 8.327 1.904 ( 7.526 -0.872 -0.442) 7.589 1.947 ( 5.896 1.435 1.774) 6.322 2.030 ( 5.873 -5.806 3.669) 9.037 2.099 ( 2.211 1.242 0.166) 2.541 2.124 ( 7.420 0.271 -1.240) 7.528 2.170 ( 9.753 0.032 3.309) 10.299 2.202 ( 10.356 -1.780 2.048) 10.705 2.267 ( 6.743 2.043 -0.561) 7.069 2.294 ( 3.954 -1.941 -0.525) 4.436 2.347 ( 4.873 5.104 -6.165) 9.371 2.395 ( -1.296 0.076 -3.088) 3.349 2.425 ( 1.438 1.862 -1.893) 3.020 2.486 ( 1.346 -4.627 -2.314) 5.346 2.575 ( 2.901 4.412 -3.313) 6.234 2.644 ( 6.230 -0.792 -2.099) 6.622 2.724 ( 11.879 -0.011 -4.516) 12.708 2.751 ( 8.320 -2.337 -4.024) 9.533 2.815 ( 7.042 0.100 2.693) 7.540 2.840 ( 7.517 -1.381 1.901) 7.876 2.930 ( 9.122 3.685 -2.388) 10.124 2.967 ( 4.685 1.837 -7.017) 8.635 3.017 ( 11.606 3.585 -1.534) 12.243 3.046 ( 14.635 -0.576 -2.014) 14.785 3.099 ( 4.958 -1.336 0.834) 5.202 3.146 ( 7.537 -7.154 -2.672) 10.730 3.238 ( 4.111 -2.533 5.461) 7.289 3.259 ( 4.808 -4.825 2.553) 7.274 3.441 ( 1.862 3.434 0.778) 3.983 3.465 ( 3.713 1.135 3.585) 5.284 3.661 ( 11.616 6.781 -0.898) 13.480 3.701 ( 1.646 -0.436 -1.367) 2.184 3.713 ( 1.069 -1.567 0.675) 2.013 3.771 ( 11.539 -4.022 0.478) 12.229 3.846 ( 4.929 3.160 2.815) 6.496 3.871 ( 2.033 0.118 0.282) 2.056 4.031 ( 2.701 5.782 2.280) 6.777 4.164 ( 4.177 -6.758 2.193) 8.242 4.423 ( 2.041 1.456 -4.075) 4.785 4.450 ( 2.121 -1.304 -1.260) 2.790 4.909 ( -4.372 0.954 -0.647) 4.522 4.929 ( -4.499 -1.023 -0.946) 4.710 5.044 ( -4.243 2.207 -0.313) 4.793 5.087 ( -3.910 -2.167 -0.887) 4.558 5.185 ( -1.484 1.311 2.144) 2.919 5.208 ( -2.391 -1.120 1.953) 3.284 5.252 ( -3.697 1.140 0.834) 3.958 5.272 ( -3.363 -0.846 0.840) 3.568 5.576 ( -7.269 1.278 -0.105) 7.381 5.608 ( -7.283 -1.919 -0.662) 7.560 5.698 ( -6.891 1.261 -2.264) 7.362 5.717 ( -7.782 -0.706 -2.785) 8.296 5.888 ( -5.422 0.495 1.590) 5.672 5.906 ( -5.665 -1.346 0.250) 5.828 5.975 ( -4.011 1.387 -1.740) 4.587 5.994 ( -4.903 -0.598 -3.357) 5.972 7.733 ( -0.207 1.123 -0.214) 1.161 7.758 ( -0.999 -1.368 -0.520) 1.772 8.044 ( 4.816 2.343 -1.626) 5.597 8.086 ( 3.568 -1.800 -3.387) 5.239 8.327 ( -1.408 1.320 0.924) 2.140 8.363 ( -2.361 -2.181 0.931) 3.346 8.767 ( 0.629 0.419 -3.764) 3.839 8.771 ( 0.736 -0.023 -4.338) 4.400 9.043 ( 3.400 0.182 1.298) 3.644 9.047 ( 3.224 -0.204 1.044) 3.396 9.157 ( -0.109 0.682 -0.251) 0.735 9.171 ( -0.166 -0.587 -0.284) 0.673 9.499 ( -0.041 0.444 3.992) 4.017 9.503 ( -0.332 0.180 4.164) 4.181 9.573 ( -3.023 1.061 3.228) 4.548 9.606 ( -6.778 -2.130 5.549) 9.015 9.965 ( -4.103 1.607 0.704) 4.463 9.993 ( -6.511 -1.165 -1.359) 6.753 10.114 ( -4.386 2.486 -3.777) 6.300 10.163 ( -5.061 -2.275 -3.403) 6.509 ======================= Grid point 39 (23/74) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 8.923 5.225 6.698) 12.320 1.520 ( 7.471 -8.474 4.296) 12.086 1.617 ( 2.391 1.515 7.657) 8.163 1.651 ( 3.288 -1.679 7.652) 8.496 1.687 ( 5.070 2.599 -5.791) 8.124 1.733 ( 4.855 -1.176 -3.340) 6.010 1.807 ( 2.441 2.358 1.892) 3.885 1.830 ( 4.157 -0.355 0.920) 4.273 1.970 ( 1.886 -0.388 -0.378) 1.963 1.986 ( 3.735 -1.893 0.219) 4.193 2.031 ( 1.654 3.368 1.961) 4.234 2.093 ( 0.161 -0.186 -0.327) 0.409 2.126 ( -2.053 -0.140 -2.169) 2.990 2.147 ( -3.234 -4.275 2.984) 6.135 2.267 ( 3.755 0.944 -3.259) 5.061 2.285 ( 3.517 -0.717 -2.066) 4.142 2.325 ( 1.124 1.457 -1.466) 2.353 2.343 ( 3.157 0.572 1.869) 3.713 2.422 ( -0.365 -1.158 -0.357) 1.266 2.440 ( 1.466 0.340 -0.310) 1.536 2.515 ( 5.746 2.767 2.758) 6.948 2.550 ( 9.622 1.158 5.498) 11.142 2.590 ( 2.513 2.759 -1.798) 4.143 2.669 ( 1.136 -0.748 -4.284) 4.494 2.810 ( 3.555 0.102 -2.048) 4.104 2.832 ( 4.111 -3.918 -2.442) 6.182 2.954 ( 2.618 1.653 0.152) 3.100 2.987 ( 2.530 -1.147 3.789) 4.698 3.038 ( 11.394 1.721 0.935) 11.561 3.073 ( 10.945 0.970 -3.285) 11.468 3.168 ( 4.089 -0.778 -0.820) 4.243 3.207 ( 2.045 -5.477 2.964) 6.555 3.317 ( 5.020 3.501 4.242) 7.447 3.379 ( 1.054 -1.571 3.193) 3.711 3.445 ( 22.276 0.152 0.451) 22.281 3.458 ( 23.082 -0.430 -0.191) 23.087 3.545 ( 12.062 0.926 -2.114) 12.280 3.574 ( 8.026 -1.234 -1.905) 8.341 3.748 ( 5.452 1.284 -1.019) 5.693 3.788 ( 6.887 -3.320 0.993) 7.710 3.909 ( 16.431 4.477 -3.385) 17.363 3.942 ( 8.448 1.510 -1.407) 8.696 3.985 ( 9.925 -1.424 0.474) 10.038 4.011 ( 14.001 -2.978 -0.026) 14.315 4.187 ( 10.488 6.515 2.732) 12.646 4.302 ( 9.027 -4.807 1.726) 10.371 4.439 ( 4.587 3.050 -2.848) 6.202 4.497 ( 4.287 -2.705 -0.247) 5.075 4.796 ( -7.855 0.205 -0.950) 7.915 4.804 ( -8.406 -0.559 -0.898) 8.472 4.917 ( -10.235 2.014 0.138) 10.432 4.954 ( -10.651 -1.635 -0.355) 10.782 5.161 ( -4.089 0.285 0.446) 4.123 5.166 ( -3.877 -0.188 0.359) 3.898 5.180 ( -4.668 1.326 0.331) 4.864 5.210 ( -4.649 -1.583 0.286) 4.919 5.434 ( -9.785 0.871 0.513) 9.837 5.451 ( -9.498 -0.864 0.166) 9.538 5.521 ( -9.886 1.065 -1.264) 10.023 5.540 ( -8.577 -0.832 0.057) 8.617 5.773 ( -6.319 0.925 -1.390) 6.535 5.797 ( -4.916 -1.508 -0.675) 5.187 5.878 ( -4.313 1.522 -1.514) 4.818 5.903 ( -3.592 -1.026 -0.096) 3.737 7.736 ( 0.395 0.616 0.410) 0.839 7.750 ( -0.084 -0.670 0.480) 0.828 8.088 ( 2.326 0.601 -1.638) 2.908 8.098 ( 1.889 -0.318 -2.781) 3.377 8.318 ( -0.990 0.788 1.414) 1.897 8.338 ( -1.753 -1.130 1.347) 2.483 8.738 ( 0.484 0.548 -2.841) 2.934 8.748 ( 0.976 -0.434 -2.761) 2.960 9.106 ( 2.301 0.032 0.583) 2.374 9.107 ( 2.400 -0.060 0.653) 2.488 9.153 ( -0.002 0.589 -0.518) 0.785 9.164 ( -0.045 -0.515 -0.543) 0.750 9.517 ( -1.929 1.034 1.807) 2.838 9.533 ( -1.002 -0.177 3.360) 3.511 9.552 ( -2.259 -0.343 1.655) 2.821 9.558 ( -3.593 -0.718 3.871) 5.330 9.904 ( -3.017 0.892 0.028) 3.146 9.925 ( -1.831 -1.267 1.054) 2.463 10.008 ( -3.390 2.084 -2.225) 4.560 10.043 ( -4.378 -1.520 -2.918) 5.476 ======================= Grid point 40 (24/74) ======================= q-point: ( 0.44 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 0.231 2.670 -8.566) 8.975 1.516 ( -1.296 -2.836 -12.126) 12.520 1.631 ( -3.243 2.273 -0.689) 4.019 1.705 ( -3.066 -3.966 -0.904) 5.094 1.776 ( 3.604 4.811 1.058) 6.104 1.827 ( -1.097 1.471 -1.748) 2.535 1.842 ( 4.363 -0.687 6.297) 7.691 1.897 ( 2.946 -5.063 2.674) 6.439 1.959 ( -1.526 3.008 -0.850) 3.478 2.008 ( -3.995 -1.980 -1.669) 4.761 2.060 ( 1.018 -1.011 2.269) 2.684 2.076 ( -0.120 -1.436 -0.505) 1.527 2.104 ( 2.437 1.897 2.242) 3.817 2.144 ( 1.486 -1.621 2.807) 3.566 2.310 ( 1.705 -0.148 -1.111) 2.040 2.320 ( 0.531 -0.818 0.830) 1.281 2.351 ( 1.579 1.577 1.357) 2.612 2.391 ( 0.590 -2.973 1.013) 3.196 2.418 ( 0.673 3.878 3.116) 5.021 2.470 ( 0.997 -0.175 1.471) 1.785 2.553 ( 2.053 1.607 -3.286) 4.195 2.613 ( 0.140 -1.930 -5.782) 6.097 2.646 ( 0.305 6.588 2.510) 7.056 2.719 ( 1.424 -1.533 4.163) 4.659 2.861 ( 2.304 0.237 2.167) 3.171 2.888 ( 3.897 -3.363 0.599) 5.182 2.982 ( -1.527 1.678 3.594) 4.250 3.047 ( -0.285 -4.168 4.161) 5.896 3.159 ( 3.721 2.609 -2.248) 5.070 3.212 ( 3.082 0.503 3.620) 4.781 3.221 ( 3.997 -1.109 -3.889) 5.686 3.258 ( -0.169 -3.193 3.920) 5.059 3.376 ( -1.081 1.943 2.971) 3.711 3.388 ( -2.075 0.794 1.746) 2.826 3.573 ( 1.772 4.262 -2.790) 5.393 3.667 ( 4.085 -4.931 -2.939) 7.046 3.785 ( 4.208 3.987 -0.810) 5.853 3.862 ( 10.990 -3.177 0.821) 11.469 3.913 ( 16.542 1.063 -0.988) 16.606 3.947 ( 11.051 -2.714 -0.126) 11.380 4.120 ( 10.083 2.702 0.199) 10.441 4.157 ( 7.605 -1.403 0.833) 7.778 4.187 ( 12.290 1.758 -0.605) 12.430 4.231 ( 10.078 -1.993 -1.253) 10.349 4.387 ( 8.191 3.464 -0.674) 8.919 4.458 ( 5.885 -3.402 -0.712) 6.835 4.556 ( 5.975 1.382 -2.477) 6.615 4.573 ( 1.574 -0.354 -2.822) 3.250 4.631 ( -7.071 0.908 0.317) 7.136 4.654 ( -3.152 -0.936 1.035) 3.447 4.700 ( -11.209 1.506 0.057) 11.310 4.728 ( -10.658 -1.302 0.138) 10.738 5.045 ( -7.225 -0.146 -1.295) 7.342 5.050 ( -6.404 -0.646 -1.296) 6.566 5.081 ( -6.839 0.695 -0.849) 6.927 5.092 ( -7.596 -0.361 -1.012) 7.672 5.290 ( -3.254 1.312 0.929) 3.630 5.322 ( -3.174 -2.015 1.092) 3.915 5.403 ( -3.757 1.975 1.686) 4.567 5.433 ( -4.509 -1.120 1.878) 5.012 5.697 ( -1.161 1.790 -0.018) 2.134 5.737 ( -0.595 -2.276 -0.329) 2.376 5.815 ( -1.072 1.791 -1.168) 2.392 5.845 ( -2.046 -1.292 -0.929) 2.593 7.751 ( 0.209 0.342 1.101) 1.171 7.758 ( -0.193 -0.370 1.302) 1.367 8.092 ( 0.990 0.911 -2.130) 2.519 8.110 ( 2.022 -0.900 -1.998) 2.982 8.323 ( -0.737 0.331 2.282) 2.421 8.330 ( -1.223 -0.360 2.097) 2.454 8.735 ( 1.491 0.832 -0.798) 1.885 8.751 ( 1.668 -0.760 -0.894) 2.039 9.135 ( 0.591 0.074 -0.291) 0.663 9.138 ( 0.635 -0.165 -0.365) 0.751 9.148 ( 0.318 0.552 -0.529) 0.827 9.158 ( 0.152 -0.459 -0.759) 0.900 9.481 ( -2.400 0.965 -0.457) 2.627 9.504 ( -2.566 -1.420 -0.344) 2.953 9.545 ( -2.124 0.714 1.992) 2.998 9.556 ( -1.280 -0.390 2.578) 2.905 9.860 ( -1.382 1.796 -1.345) 2.635 9.901 ( -1.521 -2.375 -1.366) 3.133 9.970 ( -0.327 0.951 0.469) 1.110 9.981 ( 0.479 -0.258 1.060) 1.191 ======================= Grid point 41 (25/74) ======================= q-point: (-0.44 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -6.985 1.979 -13.737) 15.537 1.304 ( -6.075 1.431 -9.019) 10.968 1.507 ( -7.528 -0.984 -4.636) 8.896 1.551 ( -9.156 -4.222 -4.591) 11.079 1.728 ( -4.830 4.069 -6.214) 8.860 1.755 ( -2.323 2.665 -4.194) 5.485 1.817 ( -4.990 -1.876 -6.589) 8.476 1.847 ( -6.533 -3.941 -1.815) 7.843 2.009 ( 2.449 2.566 5.401) 6.462 2.038 ( 1.962 0.327 1.695) 2.613 2.107 ( 0.163 -1.280 1.399) 1.903 2.127 ( -0.005 -2.274 5.554) 6.001 2.164 ( 1.223 1.178 1.934) 2.573 2.194 ( 0.867 -3.222 3.714) 4.993 2.329 ( 1.861 0.548 -0.328) 1.967 2.340 ( 1.017 -0.607 1.166) 1.663 2.367 ( -1.130 3.331 0.772) 3.601 2.425 ( 0.252 -1.693 3.087) 3.530 2.468 ( 1.449 3.387 2.057) 4.219 2.510 ( 0.391 -0.674 3.838) 3.916 2.556 ( 0.435 0.273 -3.142) 3.184 2.586 ( 0.800 -2.362 4.100) 4.799 2.660 ( -2.162 4.376 3.991) 6.305 2.716 ( -4.086 -0.919 2.061) 4.668 2.920 ( 0.884 0.862 2.318) 2.626 2.955 ( 1.175 -2.698 2.684) 3.983 2.984 ( -2.430 3.048 3.510) 5.246 3.054 ( -1.737 -2.035 0.472) 2.717 3.178 ( 0.602 -0.960 -1.311) 1.733 3.196 ( -1.301 -1.651 -4.402) 4.879 3.264 ( -1.350 -0.185 1.565) 2.075 3.273 ( -3.107 -1.331 2.589) 4.258 3.337 ( -5.248 1.706 2.987) 6.275 3.366 ( -3.819 -1.140 2.520) 4.716 3.542 ( -1.825 7.000 -1.304) 7.350 3.663 ( -1.048 -5.495 -2.610) 6.173 3.779 ( -5.550 2.147 -0.363) 5.962 3.828 ( -10.722 -3.212 0.336) 11.198 3.960 ( -13.444 1.369 -0.269) 13.516 3.975 ( -10.595 -0.110 -0.347) 10.601 4.087 ( -9.298 2.239 -0.963) 9.612 4.137 ( -8.848 -2.326 -0.107) 9.149 4.226 ( -10.527 4.081 -0.911) 11.327 4.283 ( -9.451 -1.719 -0.432) 9.616 4.354 ( -10.978 2.111 -0.484) 11.189 4.429 ( -11.318 -5.382 -1.803) 12.662 4.526 ( 0.753 0.902 -1.213) 1.689 4.544 ( -0.911 -0.670 -1.161) 1.620 4.632 ( 7.997 1.084 -0.719) 8.102 4.648 ( 8.717 -0.390 -0.653) 8.750 4.696 ( 10.039 3.284 -0.306) 10.567 4.753 ( 8.404 -2.427 0.363) 8.755 5.027 ( 4.903 0.414 -1.236) 5.073 5.036 ( 5.954 -0.432 -0.992) 6.052 5.052 ( 6.332 1.008 -1.360) 6.554 5.075 ( 7.935 -1.199 -1.454) 8.156 5.325 ( 4.493 1.499 1.263) 4.902 5.354 ( 3.876 -1.333 0.959) 4.209 5.405 ( 3.391 0.658 0.342) 3.471 5.416 ( 2.386 -0.429 -0.038) 2.425 5.726 ( 3.210 1.641 1.483) 3.898 5.766 ( 1.966 -2.339 1.345) 3.338 5.825 ( 3.367 0.542 -0.673) 3.476 5.831 ( 2.975 0.060 -0.341) 2.996 7.762 ( -0.630 0.206 1.457) 1.601 7.767 ( -0.430 -0.274 1.582) 1.663 8.085 ( 0.901 1.941 -2.448) 3.252 8.125 ( 1.992 -2.014 -1.825) 3.370 8.336 ( -1.058 0.216 2.978) 3.167 8.341 ( -0.658 -0.252 3.032) 3.112 8.771 ( 2.328 0.867 0.556) 2.546 8.786 ( 2.270 -0.679 0.554) 2.433 9.127 ( -0.605 -0.103 -0.845) 1.044 9.128 ( -0.592 -0.215 -0.956) 1.145 9.147 ( -0.097 0.474 -0.374) 0.612 9.153 ( 0.164 -0.157 -0.803) 0.834 9.431 ( -1.649 0.728 -1.741) 2.506 9.451 ( -1.891 -1.322 -1.904) 2.991 9.514 ( -2.492 1.931 0.120) 3.155 9.546 ( -1.969 -1.317 1.022) 2.580 9.845 ( 1.278 0.800 -0.513) 1.592 9.864 ( 0.177 -1.057 -1.805) 2.099 10.017 ( 3.230 1.200 2.086) 4.028 10.039 ( 3.615 -0.966 1.758) 4.134 ======================= Grid point 42 (26/74) ======================= q-point: (-0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -12.000 6.362 -10.617) 17.239 1.082 ( -10.547 -0.069 -4.763) 11.573 1.257 ( -12.960 -3.212 -6.361) 14.790 1.326 ( -11.121 -6.066 -4.058) 13.302 1.551 ( -7.022 6.803 -5.476) 11.206 1.622 ( -7.049 3.625 -4.954) 9.348 1.672 ( -4.111 -1.658 -6.823) 8.136 1.680 ( -7.047 -6.108 -3.653) 10.016 2.030 ( -5.640 1.115 -0.736) 5.796 2.045 ( -2.487 -0.510 0.492) 2.586 2.077 ( -2.835 2.349 4.455) 5.780 2.134 ( -3.707 -2.438 1.598) 4.716 2.184 ( -1.045 1.515 1.117) 2.153 2.231 ( -0.509 -2.526 0.763) 2.687 2.340 ( -1.952 1.466 -0.238) 2.452 2.345 ( -1.313 0.527 -1.308) 1.926 2.375 ( 0.736 0.661 1.785) 2.041 2.442 ( -3.265 -4.138 3.187) 6.160 2.480 ( -2.232 3.389 1.530) 4.337 2.540 ( -2.508 -2.450 3.558) 4.995 2.585 ( -2.243 2.130 6.310) 7.027 2.607 ( -2.919 1.866 3.664) 5.043 2.667 ( -3.521 1.066 6.364) 7.351 2.706 ( 0.584 -2.456 5.787) 6.313 2.937 ( -0.703 2.996 0.586) 3.133 2.964 ( -3.922 1.290 1.943) 4.563 2.980 ( -1.927 -0.833 2.082) 2.957 3.008 ( -4.789 -2.392 0.255) 5.359 3.068 ( -7.001 1.947 -2.004) 7.538 3.144 ( -3.483 0.689 -2.080) 4.115 3.160 ( -8.025 -4.804 -1.816) 9.528 3.181 ( -6.194 -1.406 -0.631) 6.383 3.268 ( -8.814 1.688 1.873) 9.168 3.303 ( -8.751 -1.866 3.102) 9.470 3.456 ( -9.394 1.750 3.197) 10.076 3.489 ( -13.891 -1.666 0.750) 14.011 3.568 ( -17.852 -0.812 -2.107) 17.994 3.573 ( -16.520 -1.173 -0.091) 16.562 3.696 ( -5.408 4.304 -3.567) 7.777 3.781 ( -6.670 -3.961 -1.379) 7.879 3.881 ( -14.656 2.897 -2.630) 15.169 3.929 ( -10.186 0.107 -1.360) 10.277 3.947 ( -15.266 4.868 -1.879) 16.133 4.020 ( -14.001 -1.209 -0.468) 14.061 4.098 ( -12.626 3.458 0.272) 13.094 4.226 ( -6.793 -7.570 1.033) 10.224 4.484 ( -1.876 1.953 -0.804) 2.825 4.518 ( -1.022 -1.408 -0.349) 1.774 4.821 ( 8.666 0.368 0.896) 8.720 4.832 ( 9.618 -0.659 0.865) 9.679 4.916 ( 11.148 2.939 -0.495) 11.539 4.965 ( 11.589 -2.061 -0.170) 11.772 5.079 ( 2.312 1.112 -2.806) 3.802 5.099 ( 2.885 -0.945 -2.240) 3.773 5.148 ( 4.107 1.544 -1.316) 4.581 5.183 ( 3.922 -1.935 -1.166) 4.527 5.454 ( 8.201 1.137 0.945) 8.333 5.470 ( 8.947 -0.513 0.415) 8.971 5.535 ( 11.591 1.455 -1.154) 11.739 5.564 ( 11.907 -1.296 -0.744) 12.000 5.803 ( 2.068 -0.201 0.191) 2.086 5.815 ( 4.783 -1.602 0.386) 5.059 5.920 ( 6.970 2.704 1.328) 7.593 5.959 ( 7.747 -1.332 2.177) 8.156 7.762 ( -0.912 0.697 1.358) 1.778 7.779 ( -0.033 -1.014 1.575) 1.873 8.066 ( -0.026 3.642 -3.106) 4.787 8.141 ( 2.161 -3.711 -2.577) 5.009 8.349 ( -1.247 0.524 3.409) 3.667 8.363 ( -1.052 -0.810 3.953) 4.170 8.814 ( 1.805 1.108 0.077) 2.120 8.832 ( 1.911 -0.658 0.253) 2.037 9.088 ( -2.649 0.344 -0.892) 2.816 9.099 ( -1.916 -0.830 -0.775) 2.227 9.148 ( 0.780 0.686 -0.142) 1.048 9.156 ( 1.037 -0.198 0.038) 1.057 9.389 ( -0.889 0.424 -1.872) 2.115 9.401 ( -1.141 -0.843 -2.252) 2.661 9.466 ( -2.204 2.755 -0.790) 3.616 9.513 ( -2.048 -1.872 -0.161) 2.780 9.879 ( 2.836 1.100 -0.478) 3.079 9.904 ( 5.290 -1.311 0.821) 5.511 10.111 ( 4.896 1.224 1.556) 5.281 10.136 ( 5.323 -1.178 1.254) 5.595 ======================= Grid point 43 (27/74) ======================= q-point: (-0.22 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -13.603 11.381 0.634) 17.747 0.828 ( -15.458 6.855 0.170) 16.910 0.971 ( -11.846 -11.018 -1.843) 16.283 1.072 ( -13.279 -10.664 -1.739) 17.119 1.345 ( -15.555 7.894 -1.543) 17.512 1.443 ( -5.925 6.736 -2.511) 9.316 1.473 ( -8.526 -0.865 -3.784) 9.368 1.588 ( -1.656 -6.632 -2.906) 7.428 1.889 ( -9.610 1.861 1.070) 9.847 1.939 ( -8.437 -3.013 0.767) 8.991 2.040 ( -6.000 0.413 2.346) 6.455 2.056 ( -7.244 -0.533 2.265) 7.608 2.154 ( -3.267 1.978 -1.537) 4.117 2.167 ( -5.761 0.057 -3.663) 6.827 2.224 ( -9.707 2.037 -0.190) 9.921 2.302 ( -4.277 -5.022 2.692) 7.125 2.311 ( -9.655 3.952 -1.037) 10.484 2.384 ( -8.055 -2.806 0.598) 8.551 2.421 ( -3.757 1.604 0.519) 4.118 2.486 ( -4.929 -1.715 4.112) 6.645 2.537 ( -6.792 1.596 0.451) 6.992 2.583 ( -7.571 -1.565 5.431) 9.448 2.699 ( -1.500 0.905 4.150) 4.505 2.733 ( -3.479 -1.801 0.163) 3.921 2.800 ( -11.386 -0.387 0.190) 11.394 2.815 ( -10.467 -1.629 0.222) 10.595 2.937 ( -1.633 4.063 -0.312) 4.390 2.964 ( -2.734 0.269 1.561) 3.160 2.983 ( -7.201 1.081 2.212) 7.610 3.013 ( -7.783 0.170 2.409) 8.149 3.024 ( -8.123 1.187 -4.632) 9.426 3.085 ( -2.856 -2.903 -1.067) 4.210 3.111 ( -4.061 1.183 2.671) 5.003 3.157 ( -5.093 -2.586 3.375) 6.634 3.245 ( -9.780 0.091 -5.499) 11.220 3.279 ( -7.454 -3.321 -1.811) 8.359 3.373 ( -6.340 1.041 5.665) 8.566 3.393 ( -8.609 0.238 3.349) 9.240 3.549 ( -5.937 3.133 -5.220) 8.503 3.622 ( -5.811 -1.268 -3.212) 6.760 3.665 ( -7.877 -0.028 -3.743) 8.721 3.671 ( -9.034 2.053 -2.846) 9.692 3.783 ( -5.015 4.323 0.787) 6.667 3.880 ( -0.852 -4.193 0.817) 4.356 4.036 ( -0.587 4.949 2.720) 5.678 4.164 ( -3.457 -7.894 3.117) 9.164 4.454 ( -0.378 3.317 -1.186) 3.543 4.500 ( 0.341 -1.562 -1.767) 2.382 4.939 ( 3.023 0.847 1.264) 3.384 4.958 ( 2.949 -0.944 0.629) 3.160 5.010 ( 2.558 2.802 -1.295) 4.009 5.059 ( 2.843 -2.073 -2.397) 4.257 5.143 ( 4.704 0.439 -0.266) 4.732 5.150 ( 3.559 -0.321 -0.432) 3.599 5.200 ( 5.399 0.742 -1.345) 5.614 5.216 ( 3.243 -0.824 -1.827) 3.812 5.614 ( 7.649 1.522 1.046) 7.869 5.647 ( 8.903 -1.721 0.877) 9.111 5.726 ( 9.592 1.588 -0.741) 9.751 5.755 ( 9.274 -1.120 -0.813) 9.377 5.850 ( 3.334 1.074 -0.193) 3.508 5.889 ( 3.239 -2.798 -0.151) 4.282 6.054 ( 5.636 3.160 0.428) 6.476 6.105 ( 6.064 -2.035 0.639) 6.428 7.762 ( -0.506 1.452 1.021) 1.846 7.800 ( 0.520 -2.500 1.101) 2.781 8.005 ( -2.629 5.860 -4.230) 7.690 8.125 ( 0.403 -6.163 -6.745) 9.145 8.365 ( -1.351 0.946 3.993) 4.320 8.391 ( -1.182 -1.773 5.356) 5.765 8.830 ( 0.872 1.259 -1.526) 2.162 8.847 ( 0.640 -0.577 -1.681) 1.889 9.016 ( -3.920 1.029 -1.294) 4.254 9.044 ( -2.915 -1.948 -1.397) 3.774 9.172 ( 1.637 1.331 0.250) 2.125 9.188 ( 1.505 -0.468 0.923) 1.826 9.364 ( -0.845 0.002 0.201) 0.869 9.367 ( -0.809 -0.262 -0.281) 0.895 9.435 ( -0.698 3.361 1.056) 3.592 9.482 ( -1.220 -1.548 0.499) 2.033 9.956 ( 6.018 5.433 0.757) 8.143 10.057 ( 10.702 -4.274 1.283) 11.595 10.214 ( 5.233 1.634 0.333) 5.493 10.249 ( 6.269 -1.817 0.383) 6.538 ======================= Grid point 44 (28/74) ======================= q-point: (-0.11 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -12.054 13.724 9.085) 20.401 0.609 ( -11.537 12.547 14.152) 22.154 0.836 ( -10.180 -14.453 6.324) 18.775 0.864 ( -8.582 -13.117 7.547) 17.398 0.977 ( -22.470 19.625 6.058) 30.443 1.297 ( -5.931 -10.015 0.495) 11.650 1.409 ( -0.938 8.179 4.345) 9.309 1.558 ( -0.868 -7.145 1.664) 7.387 1.743 ( -10.085 -0.234 2.347) 10.357 1.791 ( -11.849 -2.977 1.241) 12.281 1.905 ( -4.529 0.708 1.094) 4.713 1.933 ( -11.125 -1.605 -2.792) 11.582 1.945 ( -7.999 0.483 -1.418) 8.138 1.982 ( -9.588 -1.785 -0.665) 9.775 2.104 ( -3.984 4.632 -2.466) 6.589 2.174 ( -8.104 -0.556 -3.987) 9.049 2.193 ( -3.217 4.475 -1.173) 5.635 2.237 ( -7.526 0.423 -0.875) 7.588 2.323 ( -6.562 -0.423 -2.793) 7.144 2.343 ( -7.018 -2.484 0.616) 7.470 2.464 ( -2.018 0.601 3.003) 3.667 2.524 ( -3.917 -3.767 5.171) 7.501 2.635 ( -3.599 0.261 -3.505) 5.030 2.653 ( -5.157 -1.559 -0.889) 5.460 2.696 ( -2.484 -0.141 -0.242) 2.500 2.714 ( -1.725 -1.958 -0.549) 2.666 2.817 ( -6.078 3.167 -2.796) 7.402 2.857 ( -4.242 -0.145 -5.090) 6.628 2.882 ( -1.160 0.436 -5.000) 5.151 2.917 ( -2.814 -2.310 -2.938) 4.678 2.976 ( 0.868 6.716 0.926) 6.834 3.073 ( -1.707 3.001 -1.763) 3.877 3.083 ( 0.580 1.297 5.369) 5.554 3.166 ( 0.359 0.947 3.513) 3.656 3.190 ( -0.833 -2.818 6.660) 7.279 3.215 ( -0.847 -3.855 0.653) 4.001 3.303 ( -3.023 2.115 0.577) 3.734 3.358 ( -1.425 -1.659 3.380) 4.026 3.415 ( -5.734 -0.439 -4.916) 7.566 3.446 ( -2.402 -2.051 -1.841) 3.656 3.595 ( -0.109 3.476 0.347) 3.495 3.631 ( 0.414 -0.981 2.429) 2.652 3.754 ( -0.560 7.169 0.962) 7.255 3.879 ( 0.590 -4.510 -1.620) 4.829 4.073 ( 1.891 2.396 0.421) 3.081 4.161 ( -0.724 -6.396 2.803) 7.021 4.454 ( 2.358 4.492 -1.381) 5.257 4.499 ( 2.271 -0.685 -2.644) 3.552 4.965 ( 0.543 0.763 1.163) 1.493 4.987 ( 1.020 -1.214 1.681) 2.311 5.062 ( 3.370 4.063 -0.336) 5.289 5.118 ( 5.572 -1.703 -0.853) 5.889 5.180 ( 1.511 0.007 -0.706) 1.668 5.183 ( 1.106 -0.328 -0.050) 1.155 5.276 ( 4.132 0.838 -0.117) 4.217 5.292 ( 4.230 -0.695 -0.228) 4.293 5.724 ( 3.542 1.895 0.097) 4.019 5.777 ( 4.192 -3.314 0.300) 5.352 5.819 ( 1.407 1.134 -0.440) 1.860 5.848 ( 1.956 -1.245 -0.331) 2.342 5.932 ( 5.394 0.159 -0.171) 5.399 5.942 ( 3.896 -0.708 -0.262) 3.969 6.090 ( -1.117 2.341 -2.002) 3.276 6.141 ( -1.822 -2.907 -4.823) 5.919 7.760 ( -0.951 1.288 0.261) 1.623 7.783 ( -3.312 -1.099 -1.091) 3.656 7.919 ( -0.634 2.123 -3.063) 3.780 7.965 ( -6.704 -2.430 -12.244) 14.169 8.382 ( -1.571 1.601 3.648) 4.283 8.433 ( -1.117 -4.000 5.569) 6.947 8.820 ( 0.913 0.747 -2.818) 3.055 8.827 ( 0.235 -0.147 -2.881) 2.894 8.935 ( -3.063 1.331 -0.952) 3.472 8.969 ( -3.326 -2.285 -1.474) 4.296 9.192 ( 0.869 1.420 -1.467) 2.219 9.208 ( 0.285 -0.529 -0.638) 0.876 9.363 ( -0.441 0.467 2.262) 2.351 9.372 ( -0.359 -0.333 2.349) 2.400 9.495 ( -0.079 0.686 4.575) 4.626 9.519 ( 3.363 -2.067 11.335) 12.003 10.149 ( 16.429 12.794 0.142) 20.824 10.273 ( 8.155 -0.539 -2.805) 8.641 10.307 ( 8.110 -0.024 -0.249) 8.114 10.363 ( 7.762 -3.065 -0.844) 8.388 ======================= Grid point 54 (29/74) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 3.855 0.000 16.718) 17.157 0.827 ( -0.054 0.000 19.234) 19.234 1.068 ( 1.163 0.000 8.356) 8.437 1.328 ( -7.014 0.000 3.439) 7.812 1.412 ( -0.623 0.000 13.639) 13.653 1.463 ( 1.943 0.000 0.677) 2.058 1.477 ( 1.422 0.000 10.911) 11.003 1.515 ( -0.262 0.000 -6.266) 6.271 1.677 ( 0.839 0.000 5.513) 5.576 1.706 ( -2.216 0.000 -5.333) 5.776 1.785 ( 2.497 0.000 -0.910) 2.657 1.823 ( 4.454 0.000 2.782) 5.251 1.852 ( 1.090 0.000 4.420) 4.553 1.892 ( 1.666 0.000 3.936) 4.274 1.976 ( -4.665 0.000 0.627) 4.707 1.983 ( 0.762 0.000 0.307) 0.821 2.150 ( -1.383 0.000 3.585) 3.843 2.191 ( 2.180 0.000 3.857) 4.431 2.315 ( 1.361 0.000 -0.218) 1.378 2.334 ( -1.537 0.000 -2.259) 2.732 2.367 ( -0.842 0.000 -4.685) 4.760 2.402 ( -2.877 0.000 -5.785) 6.461 2.517 ( 1.416 0.000 -4.667) 4.877 2.522 ( -0.264 0.000 -2.948) 2.960 2.552 ( -2.113 0.000 -5.667) 6.048 2.596 ( -2.584 0.000 0.248) 2.596 2.712 ( -0.785 0.000 4.528) 4.596 2.721 ( 0.451 0.000 -5.802) 5.819 2.809 ( 1.065 0.000 -3.347) 3.512 2.811 ( -2.809 0.000 -0.541) 2.861 2.852 ( -1.440 0.000 -3.182) 3.492 2.968 ( -0.462 0.000 -8.320) 8.333 3.048 ( -1.625 0.000 4.293) 4.590 3.156 ( -2.102 0.000 -3.211) 3.838 3.193 ( 0.384 0.000 -2.255) 2.288 3.335 ( -0.532 0.000 3.310) 3.352 3.349 ( -2.266 0.000 8.805) 9.092 3.430 ( 2.169 0.000 -2.772) 3.520 3.457 ( 0.757 0.000 0.646) 0.995 3.539 ( 3.007 0.000 5.792) 6.526 3.550 ( -0.072 0.000 4.522) 4.522 3.756 ( 0.337 0.000 2.120) 2.147 3.770 ( -0.833 0.000 0.705) 1.091 3.852 ( 0.357 0.000 -0.802) 0.877 4.087 ( -1.177 0.000 -0.081) 1.180 4.234 ( -2.690 0.000 -1.559) 3.109 4.338 ( 2.180 0.000 -7.065) 7.394 4.389 ( 1.590 0.000 -1.108) 1.938 4.996 ( -0.213 0.000 0.054) 0.220 5.009 ( -1.681 0.000 -0.829) 1.874 5.109 ( -0.755 0.000 2.708) 2.811 5.170 ( 0.803 0.000 -0.823) 1.150 5.176 ( 1.126 0.000 0.649) 1.299 5.315 ( 1.077 0.000 -0.139) 1.086 5.322 ( 0.463 0.000 1.033) 1.132 5.336 ( 0.650 0.000 -0.612) 0.893 5.716 ( -0.628 0.000 -0.995) 1.177 5.742 ( -3.075 0.000 -1.558) 3.448 5.775 ( 0.038 0.000 -1.767) 1.768 5.820 ( -0.019 0.000 -2.722) 2.722 5.978 ( 1.447 0.000 0.389) 1.499 5.994 ( 0.615 0.000 1.357) 1.490 6.022 ( 3.029 0.000 -1.037) 3.201 6.046 ( 0.244 0.000 0.198) 0.314 7.746 ( -1.391 0.000 0.541) 1.492 7.784 ( 4.783 0.000 0.909) 4.869 7.836 ( 8.025 0.000 1.153) 8.107 7.861 ( -2.222 0.000 -1.613) 2.745 8.388 ( -3.290 0.000 1.711) 3.708 8.486 ( -2.452 0.000 -0.814) 2.584 8.718 ( 2.020 0.000 -5.464) 5.826 8.724 ( 1.591 0.000 -4.577) 4.846 8.955 ( 1.205 0.000 2.902) 3.142 8.981 ( -0.682 0.000 3.033) 3.109 9.149 ( 0.292 0.000 -0.890) 0.937 9.180 ( -0.021 0.000 -1.108) 1.108 9.483 ( 0.628 0.000 4.931) 4.971 9.489 ( 0.383 0.000 5.579) 5.592 9.631 ( -1.590 0.000 4.772) 5.030 9.992 ( -0.273 0.000 1.813) 1.833 9.993 ( -3.363 0.000 -2.978) 4.492 10.155 ( 0.600 0.000 -6.253) 6.281 10.288 ( -2.392 0.000 -5.924) 6.389 10.324 ( -0.072 0.000 -5.719) 5.719 ======================= Grid point 55 (30/74) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( 3.438 0.000 14.865) 15.257 1.152 ( 24.383 0.000 13.309) 27.778 1.310 ( 5.246 0.000 1.424) 5.436 1.311 ( 14.257 0.000 7.016) 15.890 1.507 ( 4.732 0.000 -3.924) 6.147 1.541 ( 7.722 0.000 1.163) 7.809 1.593 ( 7.346 0.000 -1.763) 7.555 1.602 ( 5.029 0.000 4.514) 6.758 1.754 ( 14.093 0.000 -3.653) 14.558 1.785 ( 4.169 0.000 1.718) 4.510 1.835 ( 3.559 0.000 -2.491) 4.344 1.945 ( 3.492 0.000 4.132) 5.410 1.981 ( 11.721 0.000 -5.184) 12.816 1.996 ( 3.940 0.000 5.303) 6.606 2.045 ( 3.727 0.000 2.725) 4.617 2.094 ( 7.591 0.000 11.302) 13.615 2.224 ( 0.844 0.000 6.266) 6.323 2.249 ( -1.235 0.000 3.631) 3.835 2.309 ( 2.293 0.000 -2.985) 3.764 2.342 ( 3.963 0.000 2.400) 4.633 2.353 ( 2.024 0.000 -5.882) 6.221 2.405 ( 9.890 0.000 -2.007) 10.091 2.490 ( 2.137 0.000 -1.435) 2.574 2.511 ( 3.051 0.000 -4.388) 5.344 2.554 ( -0.832 0.000 -2.081) 2.242 2.610 ( 8.973 0.000 2.839) 9.412 2.683 ( 2.789 0.000 -5.150) 5.857 2.734 ( 2.733 0.000 -7.085) 7.594 2.783 ( 2.181 0.000 -2.210) 3.104 2.789 ( 2.162 0.000 -0.482) 2.215 2.872 ( 4.014 0.000 2.811) 4.900 2.943 ( 2.376 0.000 -0.395) 2.409 3.037 ( 1.737 0.000 -1.380) 2.219 3.121 ( 1.487 0.000 -0.725) 1.654 3.251 ( 5.254 0.000 -0.180) 5.257 3.382 ( 1.185 0.000 4.538) 4.690 3.410 ( -1.756 0.000 8.003) 8.194 3.432 ( 3.338 0.000 -4.678) 5.747 3.439 ( -3.490 0.000 3.830) 5.182 3.642 ( 6.282 0.000 0.988) 6.359 3.652 ( 3.615 0.000 2.344) 4.309 3.747 ( -0.998 0.000 0.864) 1.319 3.772 ( 0.273 0.000 0.290) 0.399 3.849 ( 0.224 0.000 -1.241) 1.261 4.020 ( -3.521 0.000 -0.762) 3.603 4.212 ( 0.585 0.000 0.915) 1.086 4.300 ( 2.849 0.000 -7.859) 8.360 4.420 ( 2.441 0.000 -0.262) 2.455 4.957 ( -2.971 0.000 -0.179) 2.976 4.981 ( -1.623 0.000 -0.288) 1.649 5.091 ( -3.117 0.000 0.606) 3.175 5.149 ( -1.812 0.000 -1.585) 2.408 5.196 ( -0.364 0.000 2.254) 2.284 5.292 ( -3.105 0.000 1.873) 3.626 5.298 ( -2.399 0.000 0.064) 2.400 5.326 ( -1.027 0.000 0.015) 1.028 5.666 ( -3.912 0.000 -0.186) 3.916 5.711 ( -1.949 0.000 -1.138) 2.257 5.731 ( -2.590 0.000 -2.411) 3.539 5.782 ( -1.754 0.000 -3.164) 3.618 5.987 ( -2.280 0.000 1.553) 2.759 5.988 ( -1.793 0.000 1.170) 2.141 6.007 ( -3.340 0.000 -0.994) 3.485 6.028 ( -1.822 0.000 -2.990) 3.501 7.728 ( -0.857 0.000 0.242) 0.891 7.802 ( -2.391 0.000 -0.811) 2.525 7.896 ( 6.712 0.000 -0.875) 6.769 7.980 ( 7.138 0.000 -2.419) 7.537 8.357 ( -2.314 0.000 2.062) 3.099 8.439 ( -2.480 0.000 0.366) 2.507 8.697 ( 2.110 0.000 -5.261) 5.669 8.705 ( 1.687 0.000 -4.706) 5.000 9.016 ( 1.860 0.000 2.639) 3.228 9.020 ( 1.425 0.000 2.928) 3.257 9.144 ( 0.235 0.000 -0.884) 0.914 9.169 ( 0.168 0.000 -1.242) 1.253 9.545 ( -0.020 0.000 5.385) 5.385 9.546 ( -0.476 0.000 4.785) 4.809 9.630 ( -2.987 0.000 3.180) 4.363 9.848 ( -9.012 0.000 0.740) 9.042 9.994 ( -1.537 0.000 1.761) 2.337 10.069 ( -3.197 0.000 -5.112) 6.029 10.145 ( -5.921 0.000 -3.280) 6.769 10.233 ( -3.407 0.000 -4.665) 5.776 ======================= Grid point 56 (31/74) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 6.090 0.000 7.115) 9.365 1.467 ( 10.715 0.000 -2.714) 11.054 1.558 ( 7.579 0.000 -7.001) 10.318 1.596 ( 4.525 0.000 6.973) 8.312 1.606 ( 8.648 0.000 8.270) 11.966 1.654 ( 3.522 0.000 5.116) 6.211 1.688 ( 7.857 0.000 -3.333) 8.535 1.767 ( 5.490 0.000 4.490) 7.092 1.883 ( 9.006 0.000 -3.471) 9.652 1.899 ( 7.660 0.000 0.290) 7.665 1.949 ( 6.447 0.000 -1.944) 6.734 2.037 ( 5.381 0.000 -8.433) 10.003 2.117 ( 0.124 0.000 1.884) 1.888 2.126 ( 8.286 0.000 1.570) 8.433 2.175 ( 8.720 0.000 3.558) 9.418 2.224 ( -0.042 0.000 0.493) 0.495 2.262 ( 4.065 0.000 -2.023) 4.541 2.321 ( 2.253 0.000 -1.233) 2.569 2.327 ( 4.853 0.000 7.299) 8.765 2.424 ( 6.249 0.000 2.609) 6.772 2.444 ( 1.537 0.000 -1.090) 1.884 2.527 ( 1.776 0.000 6.755) 6.984 2.527 ( -0.176 0.000 -2.219) 2.226 2.571 ( 4.588 0.000 1.797) 4.928 2.641 ( 13.448 0.000 -3.825) 13.981 2.725 ( 8.485 0.000 -6.759) 10.848 2.768 ( 7.674 0.000 -1.368) 7.795 2.819 ( 16.622 0.000 0.801) 16.641 2.846 ( 4.628 0.000 0.792) 4.695 2.992 ( 17.599 0.000 1.294) 17.646 3.002 ( 9.609 0.000 1.023) 9.663 3.037 ( 5.340 0.000 3.253) 6.252 3.121 ( 8.389 0.000 0.664) 8.415 3.226 ( 8.419 0.000 3.837) 9.253 3.329 ( 4.946 0.000 -2.785) 5.677 3.413 ( -3.077 0.000 6.106) 6.838 3.468 ( 4.269 0.000 1.301) 4.463 3.473 ( -0.030 0.000 3.898) 3.898 3.499 ( 10.171 0.000 -3.605) 10.791 3.671 ( 1.352 0.000 -2.062) 2.466 3.764 ( 5.178 0.000 -2.036) 5.564 3.801 ( 4.466 0.000 -3.032) 5.398 3.819 ( 9.007 0.000 -0.352) 9.013 3.866 ( 4.257 0.000 2.570) 4.973 4.020 ( 2.789 0.000 2.722) 3.897 4.253 ( 2.944 0.000 0.909) 3.081 4.283 ( 4.066 0.000 -6.543) 7.703 4.465 ( 3.319 0.000 -1.115) 3.501 4.896 ( -4.571 0.000 0.283) 4.580 4.917 ( -4.948 0.000 -1.202) 5.092 5.027 ( -4.737 0.000 0.727) 4.792 5.084 ( -3.575 0.000 -1.512) 3.882 5.205 ( -1.137 0.000 1.279) 1.711 5.241 ( -4.315 0.000 -0.401) 4.334 5.246 ( -3.916 0.000 0.334) 3.930 5.293 ( -2.796 0.000 0.380) 2.821 5.586 ( -6.109 0.000 2.152) 6.477 5.620 ( -7.347 0.000 -0.049) 7.348 5.647 ( -4.682 0.000 -1.406) 4.889 5.667 ( -7.174 0.000 -2.284) 7.529 5.887 ( -7.866 0.000 -1.726) 8.053 5.922 ( -6.050 0.000 1.616) 6.262 5.925 ( -5.222 0.000 -3.600) 6.343 5.969 ( -2.229 0.000 0.460) 2.276 7.727 ( 0.224 0.000 0.656) 0.693 7.771 ( -0.785 0.000 0.606) 0.992 7.985 ( 5.297 0.000 -2.683) 5.937 8.037 ( 3.095 0.000 -3.022) 4.326 8.350 ( -1.520 0.000 2.924) 3.296 8.406 ( -2.446 0.000 1.811) 3.044 8.681 ( 1.885 0.000 -4.332) 4.724 8.691 ( 2.063 0.000 -3.758) 4.287 9.073 ( 2.041 0.000 1.677) 2.642 9.080 ( 1.933 0.000 2.011) 2.789 9.137 ( 0.236 0.000 -1.320) 1.341 9.159 ( 0.281 0.000 -1.365) 1.393 9.563 ( -2.172 0.000 2.591) 3.380 9.585 ( -1.163 0.000 2.539) 2.793 9.609 ( -2.744 0.000 4.227) 5.039 9.719 ( -7.225 0.000 2.243) 7.565 9.956 ( -4.374 0.000 -2.251) 4.919 9.981 ( -1.725 0.000 1.490) 2.279 10.031 ( -4.141 0.000 -1.386) 4.367 10.115 ( -4.738 0.000 -3.667) 5.991 ======================= Grid point 57 (32/74) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 3.038 0.000 -6.000) 6.725 1.493 ( -1.497 0.000 -9.326) 9.445 1.622 ( 4.268 0.000 1.890) 4.668 1.648 ( -1.383 0.000 -3.164) 3.453 1.755 ( 1.666 0.000 1.470) 2.222 1.785 ( 8.414 0.000 5.690) 10.157 1.832 ( 8.115 0.000 1.106) 8.190 1.845 ( 0.852 0.000 -0.689) 1.096 1.952 ( 0.688 0.000 -2.823) 2.906 2.014 ( 5.008 0.000 1.827) 5.331 2.040 ( 0.383 0.000 -4.084) 4.102 2.044 ( -1.295 0.000 -4.766) 4.939 2.060 ( 6.321 0.000 1.027) 6.404 2.197 ( -0.544 0.000 6.663) 6.685 2.271 ( 1.495 0.000 -2.941) 3.300 2.319 ( 3.532 0.000 2.801) 4.508 2.331 ( 2.479 0.000 4.328) 4.988 2.403 ( -0.869 0.000 1.524) 1.754 2.405 ( 3.102 0.000 2.553) 4.017 2.457 ( 3.888 0.000 -3.853) 5.474 2.491 ( 2.231 0.000 -1.607) 2.750 2.527 ( 0.888 0.000 2.153) 2.329 2.605 ( 1.781 0.000 1.447) 2.294 2.716 ( 5.482 0.000 7.954) 9.660 2.804 ( 7.208 0.000 1.210) 7.309 2.864 ( 3.556 0.000 2.622) 4.419 2.927 ( 9.768 0.000 -2.711) 10.138 2.972 ( 9.171 0.000 1.256) 9.256 3.102 ( 0.381 0.000 4.001) 4.019 3.119 ( 10.617 0.000 1.974) 10.799 3.144 ( 6.086 0.000 -1.490) 6.266 3.295 ( 11.662 0.000 -0.723) 11.684 3.359 ( 3.737 0.000 -1.287) 3.952 3.432 ( 0.035 0.000 7.679) 7.679 3.462 ( 13.826 0.000 1.933) 13.960 3.491 ( 15.466 0.000 -4.587) 16.131 3.510 ( 8.482 0.000 3.226) 9.075 3.568 ( 8.793 0.000 1.758) 8.967 3.642 ( 7.557 0.000 -5.248) 9.200 3.776 ( 13.806 0.000 -3.174) 14.166 3.873 ( 12.465 0.000 -1.849) 12.601 3.909 ( 14.021 0.000 -0.587) 14.033 4.024 ( 10.423 0.000 0.042) 10.423 4.043 ( 11.745 0.000 0.365) 11.750 4.151 ( 7.934 0.000 2.959) 8.468 4.314 ( 6.658 0.000 -4.847) 8.236 4.353 ( 8.282 0.000 0.424) 8.293 4.512 ( 4.302 0.000 -2.849) 5.160 4.780 ( -8.419 0.000 -0.264) 8.423 4.785 ( -8.063 0.000 -1.222) 8.155 4.909 ( -10.715 0.000 0.633) 10.733 4.960 ( -10.239 0.000 -0.601) 10.257 5.135 ( -5.484 0.000 -2.251) 5.928 5.165 ( -4.082 0.000 -1.005) 4.203 5.174 ( -3.975 0.000 -0.019) 3.975 5.227 ( -5.682 0.000 -0.218) 5.686 5.439 ( -11.751 0.000 1.165) 11.809 5.473 ( -9.299 0.000 -1.185) 9.374 5.508 ( -7.860 0.000 3.693) 8.684 5.572 ( -5.599 0.000 1.494) 5.795 5.736 ( -5.711 0.000 -0.998) 5.798 5.797 ( -4.027 0.000 -2.934) 4.983 5.822 ( -5.219 0.000 -0.038) 5.219 5.916 ( -3.830 0.000 0.065) 3.831 7.748 ( 0.760 0.000 1.449) 1.636 7.781 ( 0.040 0.000 1.944) 1.944 8.029 ( 3.342 0.000 -3.861) 5.107 8.047 ( 2.149 0.000 -2.677) 3.433 8.362 ( -1.161 0.000 3.951) 4.118 8.392 ( -2.190 0.000 3.271) 3.936 8.681 ( 2.207 0.000 -2.253) 3.154 8.702 ( 2.825 0.000 -2.385) 3.697 9.117 ( 1.395 0.000 0.464) 1.470 9.124 ( 0.277 0.000 -1.834) 1.854 9.125 ( 1.194 0.000 0.986) 1.549 9.149 ( 0.255 0.000 -1.584) 1.605 9.527 ( -3.379 0.000 0.451) 3.409 9.556 ( -2.046 0.000 -0.707) 2.165 9.623 ( -2.389 0.000 5.082) 5.616 9.628 ( -5.402 0.000 1.075) 5.508 9.876 ( -3.218 0.000 -0.154) 3.222 9.961 ( -2.145 0.000 -1.545) 2.644 9.973 ( -1.808 0.000 0.815) 1.984 10.004 ( -2.937 0.000 -0.722) 3.024 ======================= Grid point 58 (33/74) ======================= q-point: (-0.56 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -0.876 0.000 -5.167) 5.241 1.332 ( -7.711 0.000 -5.501) 9.471 1.575 ( -2.064 0.000 -4.046) 4.542 1.618 ( -1.985 0.000 -4.775) 5.172 1.756 ( -1.819 0.000 -0.374) 1.857 1.770 ( -5.899 0.000 -4.411) 7.365 1.814 ( -4.529 0.000 -7.626) 8.870 1.933 ( 3.503 0.000 0.219) 3.510 1.992 ( -0.882 0.000 0.444) 0.988 2.034 ( 4.591 0.000 5.635) 7.268 2.077 ( 3.504 0.000 -3.938) 5.272 2.098 ( 4.495 0.000 1.633) 4.783 2.128 ( 2.565 0.000 -2.560) 3.624 2.263 ( 0.856 0.000 -1.566) 1.784 2.293 ( 2.707 0.000 6.935) 7.445 2.347 ( -1.555 0.000 -0.555) 1.651 2.383 ( 1.277 0.000 3.921) 4.124 2.442 ( -0.519 0.000 6.604) 6.624 2.459 ( 2.096 0.000 -3.802) 4.341 2.463 ( 1.623 0.000 1.979) 2.559 2.552 ( 0.546 0.000 3.095) 3.142 2.580 ( 4.636 0.000 4.349) 6.356 2.689 ( 0.693 0.000 7.827) 7.857 2.815 ( -1.952 0.000 4.636) 5.030 2.912 ( 1.935 0.000 1.476) 2.434 2.945 ( 3.529 0.000 4.277) 5.545 3.002 ( 3.281 0.000 -3.455) 4.764 3.060 ( -3.158 0.000 3.208) 4.501 3.116 ( 1.765 0.000 -9.003) 9.174 3.171 ( 4.685 0.000 0.121) 4.686 3.304 ( 1.512 0.000 -0.100) 1.516 3.377 ( 0.830 0.000 0.940) 1.254 3.382 ( 0.885 0.000 3.224) 3.343 3.455 ( -2.513 0.000 6.471) 6.942 3.479 ( -1.605 0.000 1.078) 1.933 3.665 ( 3.220 0.000 -3.809) 4.988 3.691 ( 5.877 0.000 -0.337) 5.887 3.883 ( 19.744 0.000 -0.050) 19.744 3.902 ( 16.039 0.000 0.176) 16.040 4.016 ( 12.310 0.000 -4.423) 13.081 4.064 ( -2.244 0.000 2.554) 3.400 4.180 ( 13.741 0.000 -0.896) 13.770 4.180 ( 10.196 0.000 -0.884) 10.235 4.218 ( 10.860 0.000 -1.889) 11.023 4.337 ( 7.033 0.000 1.422) 7.176 4.445 ( 10.319 0.000 -2.290) 10.570 4.487 ( 2.819 0.000 -2.562) 3.810 4.541 ( -1.520 0.000 -2.189) 2.665 4.635 ( -4.391 0.000 -1.856) 4.767 4.654 ( -3.015 0.000 1.290) 3.279 4.682 ( -12.025 0.000 0.188) 12.027 4.735 ( -9.055 0.000 -0.596) 9.074 5.016 ( -4.066 0.000 -1.916) 4.494 5.034 ( -7.878 0.000 -0.918) 7.931 5.055 ( -7.415 0.000 -1.338) 7.535 5.064 ( -9.234 0.000 -1.170) 9.308 5.304 ( -3.073 0.000 1.057) 3.250 5.371 ( -1.744 0.000 0.103) 1.747 5.400 ( -5.578 0.000 0.435) 5.595 5.474 ( -6.326 0.000 0.568) 6.352 5.691 ( -0.291 0.000 1.485) 1.513 5.757 ( 1.877 0.000 0.203) 1.888 5.768 ( 0.150 0.000 -0.932) 0.944 5.848 ( -3.386 0.000 0.194) 3.392 7.777 ( 0.266 0.000 1.885) 1.904 7.802 ( -0.661 0.000 2.494) 2.580 8.023 ( 1.208 0.000 -3.744) 3.934 8.068 ( 3.330 0.000 -3.324) 4.705 8.391 ( -0.974 0.000 4.778) 4.877 8.398 ( -1.904 0.000 4.726) 5.095 8.713 ( 2.942 0.000 -0.740) 3.034 8.740 ( 3.346 0.000 -1.090) 3.520 9.112 ( 0.593 0.000 -1.659) 1.762 9.131 ( 0.209 0.000 -0.401) 0.452 9.135 ( 0.287 0.000 -1.812) 1.835 9.141 ( 0.042 0.000 -0.122) 0.129 9.466 ( -3.190 0.000 -0.407) 3.216 9.504 ( -2.323 0.000 -1.656) 2.852 9.545 ( -4.409 0.000 -0.166) 4.412 9.621 ( -2.980 0.000 3.222) 4.389 9.839 ( -1.381 0.000 1.172) 1.811 9.875 ( -2.241 0.000 -3.143) 3.860 9.982 ( 1.109 0.000 1.626) 1.968 10.012 ( 1.525 0.000 1.330) 2.024 ======================= Grid point 59 (34/74) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -13.008 0.000 0.483) 13.017 1.218 ( -4.633 0.000 0.963) 4.732 1.472 ( -8.974 0.000 -3.764) 9.731 1.484 ( -5.105 0.000 -1.908) 5.450 1.574 ( -9.811 0.000 -3.923) 10.566 1.658 ( -1.291 0.000 -8.341) 8.441 1.689 ( -5.808 0.000 0.386) 5.820 1.887 ( -8.274 0.000 -2.590) 8.670 2.023 ( 3.449 0.000 2.837) 4.466 2.073 ( 2.114 0.000 -6.542) 6.875 2.100 ( -1.834 0.000 -1.931) 2.663 2.115 ( 0.173 0.000 3.378) 3.382 2.192 ( 2.381 0.000 0.453) 2.424 2.260 ( 1.899 0.000 -4.517) 4.900 2.312 ( -1.731 0.000 -1.032) 2.015 2.358 ( 1.083 0.000 -1.190) 1.609 2.448 ( 1.017 0.000 2.894) 3.067 2.455 ( -0.850 0.000 1.290) 1.545 2.499 ( -0.257 0.000 4.590) 4.597 2.566 ( 2.718 0.000 8.781) 9.192 2.606 ( 2.030 0.000 3.872) 4.372 2.736 ( -5.677 0.000 4.285) 7.113 2.754 ( 4.845 0.000 10.466) 11.533 2.798 ( -3.358 0.000 6.524) 7.338 2.923 ( -2.002 0.000 1.074) 2.272 3.005 ( 0.597 0.000 -2.415) 2.487 3.007 ( -3.227 0.000 -0.388) 3.251 3.024 ( 0.653 0.000 -11.128) 11.147 3.047 ( 2.513 0.000 3.972) 4.700 3.214 ( -1.030 0.000 1.584) 1.890 3.234 ( -3.414 0.000 -4.281) 5.476 3.358 ( -4.943 0.000 -0.509) 4.969 3.403 ( -2.994 0.000 3.609) 4.689 3.480 ( -3.497 0.000 6.673) 7.533 3.492 ( -0.919 0.000 5.148) 5.229 3.651 ( -1.432 0.000 -3.586) 3.861 3.711 ( -5.175 0.000 -2.515) 5.754 3.891 ( -15.429 0.000 0.403) 15.434 3.943 ( -13.925 0.000 -0.103) 13.925 3.995 ( -5.433 0.000 -5.870) 7.999 4.006 ( -7.609 0.000 3.152) 8.236 4.096 ( -14.489 0.000 -3.221) 14.842 4.141 ( -12.749 0.000 -2.313) 12.957 4.266 ( -9.088 0.000 -3.477) 9.730 4.402 ( -7.046 0.000 3.858) 8.033 4.444 ( -14.756 0.000 -3.305) 15.121 4.486 ( 1.675 0.000 -0.640) 1.793 4.555 ( -2.760 0.000 -0.794) 2.872 4.609 ( 11.962 0.000 1.393) 12.042 4.631 ( 13.390 0.000 0.099) 13.391 4.658 ( 9.456 0.000 0.202) 9.459 4.770 ( 8.499 0.000 -1.240) 8.589 4.995 ( 2.438 0.000 -1.334) 2.779 5.021 ( 4.846 0.000 0.169) 4.849 5.041 ( 5.553 0.000 -0.499) 5.576 5.059 ( 10.381 0.000 -1.402) 10.476 5.313 ( 3.642 0.000 -1.306) 3.869 5.366 ( 3.338 0.000 0.299) 3.351 5.391 ( 1.318 0.000 -2.950) 3.231 5.392 ( 4.130 0.000 -1.403) 4.362 5.741 ( 4.296 0.000 1.232) 4.469 5.793 ( 2.327 0.000 -1.079) 2.565 5.820 ( 0.129 0.000 1.590) 1.595 5.856 ( 6.648 0.000 2.261) 7.022 7.792 ( -0.955 0.000 1.728) 1.974 7.811 ( -0.864 0.000 2.473) 2.620 7.999 ( 0.549 0.000 -3.821) 3.860 8.089 ( 3.290 0.000 -4.082) 5.243 8.415 ( -1.981 0.000 5.206) 5.571 8.432 ( -1.040 0.000 5.739) 5.833 8.757 ( 2.698 0.000 -1.170) 2.941 8.788 ( 3.101 0.000 -1.289) 3.358 9.112 ( 0.953 0.000 -1.060) 1.425 9.115 ( -1.292 0.000 -1.002) 1.635 9.126 ( -0.946 0.000 -1.108) 1.457 9.131 ( 1.229 0.000 -0.783) 1.457 9.415 ( -2.061 0.000 -0.081) 2.063 9.444 ( -2.249 0.000 -1.683) 2.809 9.474 ( -3.656 0.000 0.826) 3.748 9.585 ( -3.291 0.000 1.082) 3.464 9.839 ( 0.544 0.000 -0.937) 1.083 9.856 ( 1.897 0.000 1.459) 2.394 10.037 ( 3.246 0.000 0.956) 3.384 10.070 ( 3.759 0.000 0.564) 3.801 ======================= Grid point 60 (35/74) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -14.539 0.000 11.488) 18.530 1.081 ( -16.068 0.000 4.316) 16.637 1.325 ( -2.660 0.000 1.291) 2.957 1.327 ( -8.719 0.000 -2.704) 9.129 1.397 ( -10.092 0.000 4.443) 11.027 1.555 ( -11.286 0.000 2.952) 11.666 1.578 ( -2.934 0.000 -2.883) 4.114 1.693 ( -7.773 0.000 -2.830) 8.273 1.999 ( -5.154 0.000 0.517) 5.180 2.070 ( 2.084 0.000 -6.297) 6.633 2.084 ( -1.374 0.000 2.250) 2.637 2.120 ( -0.761 0.000 0.628) 0.986 2.189 ( -1.916 0.000 -0.953) 2.140 2.191 ( -7.077 0.000 -3.259) 7.792 2.241 ( -2.096 0.000 -5.569) 5.951 2.334 ( -1.449 0.000 -1.982) 2.455 2.451 ( -2.326 0.000 2.691) 3.557 2.487 ( 0.806 0.000 -0.246) 0.842 2.521 ( -0.945 0.000 0.827) 1.256 2.614 ( -3.221 0.000 1.983) 3.783 2.644 ( -7.573 0.000 6.123) 9.739 2.730 ( 1.988 0.000 8.016) 8.259 2.801 ( -3.066 0.000 1.840) 3.576 2.856 ( -3.933 0.000 -3.644) 5.362 2.870 ( -5.241 0.000 1.150) 5.366 2.941 ( -4.460 0.000 -3.856) 5.896 2.947 ( -2.527 0.000 -1.422) 2.900 2.979 ( 1.257 0.000 5.348) 5.493 3.110 ( -0.870 0.000 3.899) 3.995 3.155 ( -9.859 0.000 3.517) 10.467 3.167 ( -1.473 0.000 1.041) 1.804 3.219 ( -9.353 0.000 1.824) 9.530 3.324 ( -13.729 0.000 4.201) 14.357 3.400 ( -15.189 0.000 1.503) 15.263 3.438 ( -6.431 0.000 -8.329) 10.523 3.480 ( -13.157 0.000 -6.883) 14.848 3.513 ( -8.276 0.000 0.453) 8.288 3.573 ( -14.738 0.000 3.328) 15.109 3.622 ( -15.311 0.000 0.802) 15.332 3.708 ( -10.760 0.000 -4.430) 11.636 3.849 ( -16.213 0.000 -0.091) 16.213 3.857 ( -10.883 0.000 -2.588) 11.187 3.937 ( -7.612 0.000 -0.154) 7.614 4.037 ( -10.633 0.000 0.180) 10.635 4.064 ( -13.962 0.000 0.701) 13.979 4.355 ( -4.305 0.000 2.355) 4.907 4.445 ( -3.576 0.000 -0.372) 3.596 4.492 ( -1.530 0.000 -3.128) 3.482 4.838 ( 8.515 0.000 0.598) 8.536 4.850 ( 11.525 0.000 0.382) 11.531 4.883 ( 10.339 0.000 1.193) 10.408 4.980 ( 13.030 0.000 -0.736) 13.050 5.009 ( 1.408 0.000 -2.678) 3.026 5.089 ( 2.146 0.000 -0.710) 2.260 5.093 ( 2.592 0.000 -1.658) 3.077 5.172 ( 3.100 0.000 -2.227) 3.817 5.442 ( 10.869 0.000 -0.264) 10.873 5.488 ( 12.632 0.000 -1.455) 12.715 5.503 ( 8.199 0.000 2.368) 8.534 5.550 ( 12.720 0.000 -1.350) 12.792 5.808 ( 1.125 0.000 -0.409) 1.197 5.863 ( 8.363 0.000 -0.554) 8.382 5.877 ( 3.409 0.000 0.135) 3.412 6.004 ( 7.311 0.000 0.680) 7.343 7.783 ( -1.655 0.000 1.580) 2.288 7.830 ( 0.255 0.000 2.194) 2.209 7.953 ( -1.363 0.000 -3.992) 4.218 8.086 ( 1.883 0.000 -6.230) 6.508 8.432 ( -2.364 0.000 5.345) 5.845 8.477 ( -0.789 0.000 5.873) 5.925 8.775 ( 1.656 0.000 -2.786) 3.241 8.810 ( 1.812 0.000 -3.167) 3.649 9.062 ( -3.133 0.000 -1.571) 3.505 9.085 ( -1.687 0.000 -2.003) 2.619 9.124 ( 1.185 0.000 -0.238) 1.209 9.162 ( 2.187 0.000 0.172) 2.194 9.391 ( -1.094 0.000 0.484) 1.197 9.398 ( -1.351 0.000 -0.430) 1.418 9.453 ( -1.636 0.000 5.828) 6.053 9.542 ( -2.402 0.000 1.141) 2.659 9.863 ( 2.028 0.000 0.687) 2.141 9.943 ( 6.463 0.000 0.828) 6.515 10.110 ( 4.488 0.000 -0.509) 4.516 10.154 ( 5.592 0.000 -0.525) 5.616 ======================= Grid point 61 (36/74) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -18.022 0.000 7.928) 19.689 0.873 ( -10.610 0.000 20.479) 23.064 1.184 ( -7.392 0.000 3.264) 8.081 1.277 ( -12.506 0.000 9.612) 15.773 1.351 ( -2.836 0.000 6.339) 6.944 1.356 ( -17.938 0.000 11.365) 21.236 1.450 ( -6.068 0.000 2.791) 6.679 1.638 ( 0.881 0.000 0.731) 1.144 1.919 ( -8.113 0.000 2.433) 8.470 1.968 ( -6.699 0.000 -2.875) 7.290 2.023 ( -5.757 0.000 0.289) 5.764 2.024 ( -1.509 0.000 -7.618) 7.766 2.047 ( -9.779 0.000 -1.647) 9.917 2.103 ( -7.029 0.000 -4.095) 8.135 2.143 ( -1.293 0.000 -2.661) 2.959 2.243 ( -7.832 0.000 -1.068) 7.905 2.418 ( -3.714 0.000 1.128) 3.881 2.426 ( -9.979 0.000 -2.811) 10.367 2.462 ( -7.329 0.000 -0.511) 7.347 2.462 ( -10.947 0.000 -0.670) 10.967 2.607 ( -4.730 0.000 4.103) 6.262 2.671 ( -9.794 0.000 -1.753) 9.950 2.723 ( -10.157 0.000 4.735) 11.207 2.735 ( -4.611 0.000 -6.916) 8.312 2.778 ( -4.359 0.000 -0.453) 4.382 2.841 ( -0.249 0.000 -1.373) 1.395 2.881 ( -8.016 0.000 3.088) 8.591 2.904 ( -8.288 0.000 -7.667) 11.291 2.929 ( -10.725 0.000 0.759) 10.751 3.034 ( -13.934 0.000 4.040) 14.508 3.046 ( -13.973 0.000 -7.775) 15.990 3.067 ( -11.353 0.000 -2.279) 11.580 3.180 ( -3.070 0.000 4.738) 5.646 3.184 ( -0.228 0.000 7.560) 7.563 3.246 ( -2.145 0.000 -4.378) 4.875 3.304 ( -0.074 0.000 5.788) 5.788 3.413 ( -3.373 0.000 -0.044) 3.373 3.425 ( -5.239 0.000 -1.669) 5.499 3.472 ( -8.766 0.000 0.960) 8.818 3.602 ( -9.480 0.000 1.283) 9.567 3.613 ( -11.829 0.000 -1.192) 11.889 3.668 ( 0.552 0.000 3.382) 3.427 3.725 ( -4.930 0.000 -1.980) 5.313 3.923 ( -2.527 0.000 -2.298) 3.416 4.034 ( -0.282 0.000 3.729) 3.739 4.313 ( -2.440 0.000 0.831) 2.578 4.389 ( -2.421 0.000 0.134) 2.425 4.437 ( 0.505 0.000 -5.509) 5.532 4.954 ( 2.096 0.000 1.545) 2.604 4.976 ( 2.811 0.000 -0.664) 2.888 4.987 ( 5.146 0.000 0.399) 5.162 5.036 ( 2.174 0.000 0.165) 2.180 5.116 ( 4.090 0.000 -1.491) 4.353 5.149 ( 3.793 0.000 0.572) 3.836 5.178 ( 8.145 0.000 -1.003) 8.206 5.200 ( 3.494 0.000 -0.444) 3.522 5.611 ( 7.147 0.000 0.172) 7.149 5.682 ( 9.585 0.000 0.918) 9.629 5.701 ( 10.207 0.000 0.140) 10.208 5.744 ( 8.187 0.000 -0.531) 8.204 5.838 ( 4.017 0.000 -0.871) 4.110 5.917 ( 1.739 0.000 -1.495) 2.294 5.993 ( 6.532 0.000 -1.772) 6.768 6.101 ( 3.755 0.000 -2.831) 4.703 7.772 ( -1.419 0.000 1.456) 2.033 7.861 ( -4.250 0.000 -3.409) 5.448 7.866 ( 1.400 0.000 1.378) 1.964 7.993 ( -3.994 0.000 -9.030) 9.874 8.441 ( -2.666 0.000 4.456) 5.193 8.524 ( -0.225 0.000 3.996) 4.002 8.762 ( 1.157 0.000 -4.010) 4.174 8.789 ( 0.785 0.000 -4.523) 4.591 8.979 ( -3.966 0.000 -1.081) 4.111 9.028 ( -2.285 0.000 -1.626) 2.804 9.142 ( 0.886 0.000 -0.227) 0.915 9.194 ( 1.342 0.000 -0.757) 1.541 9.390 ( -0.602 0.000 2.640) 2.708 9.392 ( -0.118 0.000 1.721) 1.725 9.538 ( -0.680 0.000 3.618) 3.681 9.574 ( 5.278 0.000 12.611) 13.671 9.915 ( 2.201 0.000 1.477) 2.650 10.090 ( 9.805 0.000 -2.064) 10.020 10.181 ( 5.006 0.000 -1.882) 5.349 10.254 ( 6.836 0.000 -2.053) 7.137 ======================= Grid point 62 (37/74) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -9.119 0.000 17.246) 19.508 0.778 ( -22.632 0.000 10.534) 24.964 1.085 ( -10.255 0.000 8.831) 13.534 1.231 ( -9.587 0.000 28.883) 30.433 1.314 ( -2.335 0.000 3.844) 4.498 1.323 ( -3.014 0.000 16.168) 16.447 1.505 ( -0.727 0.000 8.399) 8.430 1.691 ( 1.242 0.000 4.404) 4.576 1.734 ( -17.400 0.000 -5.100) 18.132 1.761 ( -6.126 0.000 -5.471) 8.214 1.816 ( -5.036 0.000 -4.327) 6.640 1.900 ( -8.351 0.000 -0.083) 8.351 1.939 ( -3.793 0.000 -3.597) 5.227 1.962 ( -13.636 0.000 -4.908) 14.492 2.031 ( 0.990 0.000 2.938) 3.101 2.069 ( -8.232 0.000 -1.878) 8.443 2.197 ( -6.927 0.000 0.565) 6.950 2.228 ( -13.598 0.000 0.882) 13.626 2.328 ( -4.117 0.000 -0.298) 4.127 2.379 ( -2.215 0.000 0.622) 2.300 2.480 ( -4.832 0.000 -6.278) 7.922 2.536 ( -4.988 0.000 -2.241) 5.469 2.591 ( -4.459 0.000 -3.617) 5.742 2.624 ( -5.671 0.000 -7.839) 9.676 2.657 ( -4.569 0.000 0.185) 4.573 2.680 ( -4.782 0.000 -6.047) 7.709 2.706 ( -4.712 0.000 3.280) 5.741 2.800 ( -3.501 0.000 -6.334) 7.237 2.832 ( -1.345 0.000 -1.527) 2.035 2.890 ( -5.495 0.000 0.391) 5.509 2.915 ( -3.553 0.000 -0.216) 3.560 2.981 ( 0.325 0.000 6.584) 6.592 3.121 ( -3.969 0.000 -8.977) 9.815 3.214 ( -1.106 0.000 0.712) 1.315 3.243 ( -0.948 0.000 0.983) 1.365 3.323 ( -4.602 0.000 3.927) 6.049 3.336 ( -3.186 0.000 4.129) 5.215 3.408 ( 1.675 0.000 1.059) 1.981 3.417 ( 2.364 0.000 -1.319) 2.707 3.454 ( -2.933 0.000 3.291) 4.409 3.542 ( -2.931 0.000 3.272) 4.393 3.713 ( 1.014 0.000 2.630) 2.819 3.737 ( 1.417 0.000 3.990) 4.235 3.870 ( -0.249 0.000 -3.021) 3.031 4.072 ( 0.710 0.000 2.045) 2.164 4.285 ( -0.988 0.000 -1.050) 1.441 4.362 ( -0.377 0.000 -0.880) 0.957 4.397 ( 2.014 0.000 -6.130) 6.453 4.992 ( 0.583 0.000 -0.263) 0.639 5.004 ( 1.865 0.000 1.456) 2.366 5.075 ( 0.197 0.000 3.596) 3.601 5.111 ( 7.607 0.000 -0.734) 7.643 5.153 ( 2.165 0.000 -1.456) 2.609 5.217 ( 3.361 0.000 2.737) 4.334 5.267 ( 4.224 0.000 0.144) 4.227 5.292 ( 4.559 0.000 -0.507) 4.587 5.700 ( 3.254 0.000 -0.679) 3.324 5.786 ( 0.702 0.000 -0.748) 1.026 5.829 ( 5.219 0.000 -2.229) 5.675 5.832 ( 2.430 0.000 -1.200) 2.710 5.932 ( 3.154 0.000 -1.277) 3.403 5.935 ( 4.980 0.000 0.308) 4.990 6.035 ( -5.707 0.000 -4.314) 7.154 6.042 ( 1.139 0.000 -0.935) 1.474 7.762 ( -1.332 0.000 1.119) 1.739 7.764 ( -2.910 0.000 -0.923) 3.052 7.798 ( -6.110 0.000 -2.184) 6.489 7.892 ( 0.404 0.000 -0.553) 0.685 8.426 ( -3.274 0.000 2.675) 4.228 8.531 ( -1.511 0.000 -0.042) 1.512 8.738 ( 1.591 0.000 -4.725) 4.986 8.753 ( 0.860 0.000 -4.750) 4.827 8.928 ( -1.489 0.000 1.677) 2.243 8.984 ( -2.066 0.000 1.081) 2.331 9.149 ( 0.574 0.000 -0.687) 0.895 9.194 ( 0.102 0.000 -1.285) 1.289 9.425 ( 0.547 0.000 3.587) 3.628 9.427 ( 0.166 0.000 4.770) 4.773 9.587 ( 0.041 0.000 5.504) 5.504 9.890 ( 13.358 0.000 7.369) 15.256 9.964 ( 1.256 0.000 1.749) 2.153 10.177 ( 4.324 0.000 -5.845) 7.270 10.275 ( 7.976 0.000 -3.513) 8.716 10.334 ( 5.170 0.000 -4.405) 6.792 ======================= Grid point 63 (38/74) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 2.334 8.641 14.149) 16.742 0.918 ( 1.133 1.483 14.009) 14.132 0.972 ( -0.013 -0.747 12.464) 12.486 1.180 ( -1.217 -12.810 11.632) 17.346 1.427 ( -0.240 1.667 2.536) 3.044 1.455 ( 0.958 -1.149 -1.487) 2.109 1.532 ( -2.102 6.388 3.979) 7.814 1.607 ( 0.031 4.551 3.205) 5.567 1.652 ( -1.750 -3.189 -2.679) 4.518 1.703 ( 0.126 -1.328 4.437) 4.634 1.797 ( 1.187 1.858 2.008) 2.982 1.826 ( 0.913 -1.691 6.395) 6.677 1.872 ( 2.035 3.395 2.161) 4.509 1.896 ( 1.435 0.095 2.033) 2.490 1.971 ( 1.865 -0.236 2.842) 3.408 1.981 ( -2.073 -0.638 -0.094) 2.171 2.131 ( -2.124 -1.290 3.825) 4.562 2.188 ( 1.799 -5.554 -2.326) 6.284 2.208 ( 1.442 2.544 0.226) 2.933 2.300 ( -1.453 -4.875 -0.166) 5.089 2.420 ( -0.386 3.688 -1.625) 4.048 2.470 ( -1.127 1.320 -4.555) 4.875 2.495 ( -1.487 0.782 -5.669) 5.912 2.541 ( -2.421 -1.978 -5.771) 6.563 2.552 ( 0.225 2.635 -4.986) 5.644 2.626 ( 0.204 0.626 -0.921) 1.132 2.651 ( -2.098 -3.797 -0.432) 4.359 2.691 ( -0.976 -1.514 4.407) 4.760 2.763 ( 0.717 3.184 -1.985) 3.820 2.853 ( 0.131 -0.828 -0.385) 0.923 2.924 ( 0.284 -1.110 -5.418) 5.538 2.959 ( -0.577 -1.359 -9.688) 9.800 3.021 ( -2.603 3.606 -1.010) 4.560 3.096 ( -3.550 -2.799 -4.188) 6.162 3.243 ( -1.967 1.781 1.784) 3.198 3.298 ( -2.429 -3.350 3.775) 5.601 3.407 ( 0.179 5.425 7.220) 9.033 3.438 ( 1.990 0.780 -0.611) 2.223 3.450 ( 1.325 -0.557 2.073) 2.522 3.494 ( 2.845 -3.243 4.867) 6.504 3.657 ( 1.099 6.440 2.060) 6.850 3.734 ( 0.250 -2.229 0.637) 2.331 3.798 ( -0.064 2.780 1.480) 3.150 3.844 ( 0.962 -1.230 0.064) 1.563 4.078 ( -1.890 0.527 0.116) 1.966 4.147 ( -2.991 -6.288 0.124) 6.964 4.377 ( 1.801 2.671 -6.871) 7.589 4.404 ( 1.229 0.128 -3.846) 4.040 5.009 ( -0.772 1.209 -0.285) 1.462 5.020 ( -1.292 0.507 -1.504) 2.047 5.105 ( -0.215 0.183 2.120) 2.139 5.131 ( 0.728 -2.256 -0.354) 2.396 5.218 ( 0.890 2.776 1.687) 3.368 5.275 ( 0.982 -3.063 2.034) 3.806 5.331 ( 0.485 0.681 -0.615) 1.038 5.341 ( 0.694 -0.193 -0.565) 0.915 5.718 ( -0.736 0.354 -0.964) 1.264 5.731 ( -1.835 -0.907 -1.238) 2.392 5.787 ( -0.095 1.155 -2.014) 2.324 5.810 ( -0.183 -1.059 -2.459) 2.684 5.988 ( 1.588 0.869 0.007) 1.810 5.998 ( 0.903 0.036 0.402) 0.989 6.026 ( 1.920 0.449 -0.449) 2.022 6.039 ( 0.355 -0.722 0.218) 0.834 7.770 ( -1.497 1.837 0.425) 2.407 7.787 ( 3.023 0.059 1.088) 3.213 7.834 ( 6.794 0.009 0.130) 6.795 7.848 ( 0.233 -1.201 -1.634) 2.041 8.409 ( -3.112 2.097 1.378) 3.997 8.457 ( -2.719 -2.637 0.199) 3.793 8.721 ( 1.985 0.292 -5.332) 5.697 8.725 ( 1.854 -0.035 -4.958) 5.293 8.959 ( 0.765 0.494 3.000) 3.135 8.972 ( -0.139 -0.775 3.061) 3.160 9.159 ( 0.097 0.897 -0.998) 1.346 9.174 ( -0.027 -0.600 -1.083) 1.238 9.484 ( 0.511 0.220 4.944) 4.975 9.489 ( 0.451 -0.150 5.145) 5.167 9.678 ( -1.668 4.951 5.092) 7.295 9.810 ( -1.893 -8.923 4.062) 9.985 10.135 ( -0.834 4.544 -5.593) 7.255 10.166 ( 0.438 0.564 -6.650) 6.688 10.283 ( -1.939 0.496 -5.245) 5.614 10.312 ( -0.899 -1.516 -5.811) 6.072 ======================= Grid point 64 (39/74) ======================= q-point: ( 0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 7.203 4.792 14.128) 16.566 1.196 ( 12.440 -3.837 11.499) 17.370 1.230 ( 15.508 3.096 10.671) 19.078 1.337 ( 8.817 -3.636 10.073) 13.872 1.447 ( 7.583 -0.173 -7.153) 10.426 1.495 ( 8.666 -3.348 -6.359) 11.258 1.642 ( 6.792 2.664 0.647) 7.325 1.670 ( 3.975 2.986 1.423) 5.171 1.700 ( 10.933 -1.001 -3.586) 11.550 1.765 ( 4.597 -3.624 -0.311) 5.862 1.869 ( 6.127 3.637 -1.463) 7.274 1.935 ( 4.983 -2.485 1.589) 5.790 2.018 ( 5.604 4.634 1.954) 7.530 2.033 ( 7.020 1.384 6.527) 9.685 2.048 ( 6.361 -0.111 5.009) 8.097 2.090 ( 5.627 -0.733 4.990) 7.556 2.194 ( 3.007 -0.310 5.587) 6.352 2.238 ( 3.234 -2.591 2.646) 4.917 2.274 ( 1.095 0.096 3.759) 3.916 2.319 ( 5.751 -4.483 -3.287) 7.998 2.398 ( 0.869 2.267 -2.817) 3.719 2.416 ( 1.840 2.553 -3.596) 4.779 2.456 ( 4.172 -0.626 -4.017) 5.825 2.495 ( 3.902 -2.257 -5.139) 6.835 2.558 ( 4.124 1.021 -2.208) 4.788 2.626 ( 2.504 -4.762 -2.280) 5.844 2.699 ( 6.919 5.335 2.814) 9.180 2.747 ( 1.617 5.664 -2.307) 6.326 2.783 ( 3.695 -3.129 5.380) 7.238 2.827 ( 1.775 5.388 -7.722) 9.582 2.894 ( 2.400 -3.133 -2.021) 4.434 2.914 ( 4.463 -4.032 -4.528) 7.529 3.023 ( 1.734 -0.434 3.153) 3.624 3.044 ( 1.813 -2.370 -0.595) 3.043 3.247 ( 0.449 0.251 2.832) 2.878 3.302 ( -1.814 -4.848 5.449) 7.516 3.441 ( -0.015 2.627 -1.187) 2.883 3.461 ( 0.169 0.935 1.150) 1.491 3.522 ( 3.993 5.422 2.976) 7.362 3.611 ( 6.147 -3.293 1.520) 7.137 3.684 ( 0.244 1.843 -0.246) 1.875 3.719 ( -0.969 -2.111 -0.680) 2.420 3.819 ( 1.018 3.843 1.173) 4.145 3.855 ( 0.521 0.002 -0.801) 0.956 4.037 ( -1.431 2.707 0.490) 3.101 4.134 ( 0.870 -6.407 1.157) 6.568 4.343 ( 2.156 3.225 -5.413) 6.659 4.398 ( 1.998 -2.295 -2.288) 3.807 4.968 ( -2.908 0.882 -0.367) 3.061 4.979 ( -2.209 -0.265 -0.438) 2.268 5.097 ( -2.276 0.754 0.291) 2.416 5.122 ( -1.442 -1.828 -0.575) 2.398 5.230 ( -1.387 2.458 1.731) 3.311 5.271 ( -2.654 -1.815 1.594) 3.589 5.308 ( -1.945 0.699 0.334) 2.093 5.321 ( -1.437 -0.548 0.092) 1.541 5.673 ( -3.664 0.725 -0.310) 3.748 5.692 ( -2.950 -1.252 -0.764) 3.295 5.750 ( -1.842 1.312 -2.663) 3.494 5.772 ( -1.681 -0.982 -3.029) 3.601 5.987 ( -3.230 0.050 1.704) 3.652 5.989 ( -2.284 -0.017 1.225) 2.592 6.013 ( -2.262 0.555 -1.667) 2.864 6.023 ( -1.638 -0.469 -2.655) 3.155 7.745 ( -1.187 1.610 0.112) 2.003 7.780 ( -1.802 -1.889 -0.303) 2.629 7.921 ( 6.593 2.171 -1.532) 7.108 7.961 ( 6.963 -1.858 -2.195) 7.533 8.375 ( -2.433 1.814 1.817) 3.537 8.415 ( -2.519 -2.168 1.010) 3.474 8.701 ( 2.044 0.355 -5.224) 5.621 8.706 ( 1.825 -0.059 -4.958) 5.283 9.016 ( 1.785 0.056 2.741) 3.272 9.018 ( 1.601 -0.159 2.868) 3.288 9.151 ( 0.186 0.702 -0.987) 1.225 9.164 ( 0.162 -0.547 -1.164) 1.296 9.542 ( -0.218 0.076 4.952) 4.957 9.546 ( -0.091 -0.215 4.808) 4.814 9.670 ( -3.865 4.044 3.358) 6.524 9.768 ( -5.954 -5.978 2.607) 8.831 10.042 ( -3.997 2.695 -1.391) 5.017 10.071 ( -3.907 -0.386 -4.268) 5.799 10.161 ( -4.796 2.182 -3.350) 6.244 10.210 ( -3.740 -2.297 -4.225) 6.092 ======================= Grid point 65 (40/74) ======================= q-point: ( 0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 5.667 5.316 5.878) 9.743 1.443 ( 5.625 -8.048 2.716) 10.188 1.503 ( 9.418 3.340 -3.580) 10.615 1.576 ( 8.947 -3.600 -1.176) 9.716 1.615 ( 8.106 0.690 7.673) 11.183 1.632 ( 6.865 -0.978 7.111) 9.932 1.732 ( 4.464 3.190 -3.308) 6.407 1.776 ( 4.220 -0.616 0.759) 4.332 1.862 ( 9.748 -0.526 -1.435) 9.867 1.878 ( 9.176 -1.470 1.310) 9.385 1.985 ( 5.686 2.975 -0.991) 6.494 2.036 ( 4.797 -1.697 -3.564) 6.213 2.129 ( 1.615 2.811 -3.140) 4.513 2.155 ( 7.055 2.638 1.536) 7.688 2.198 ( 2.741 -1.433 4.610) 5.552 2.210 ( 2.683 -2.087 -0.852) 3.504 2.264 ( 2.288 0.322 -1.703) 2.870 2.287 ( 4.070 -2.578 1.129) 4.949 2.336 ( 7.971 4.586 -0.718) 9.224 2.421 ( 4.915 -2.494 -0.499) 5.535 2.447 ( 1.572 1.941 3.663) 4.433 2.496 ( 3.570 -1.048 6.236) 7.262 2.523 ( 3.179 0.088 3.548) 4.765 2.586 ( 7.566 -5.379 -2.929) 9.734 2.654 ( 9.112 2.819 -2.473) 9.854 2.677 ( 7.517 -0.220 -3.764) 8.410 2.820 ( 6.909 3.124 -3.924) 8.538 2.835 ( 11.124 2.499 -1.633) 11.518 2.893 ( 9.448 2.035 1.679) 9.810 2.956 ( 9.297 -3.567 4.072) 10.758 3.004 ( 13.402 0.307 -2.257) 13.594 3.024 ( 11.981 -1.323 0.965) 12.093 3.132 ( 7.732 1.162 2.746) 8.287 3.169 ( 7.092 -3.077 5.588) 9.540 3.327 ( 4.978 -0.960 3.792) 6.331 3.367 ( 1.294 -4.699 6.618) 8.219 3.425 ( 0.131 3.077 -1.114) 3.275 3.473 ( 2.641 -1.244 -2.217) 3.666 3.637 ( 7.410 7.791 -0.559) 10.766 3.677 ( 2.458 1.191 -1.661) 3.197 3.718 ( 2.693 -3.195 -0.744) 4.244 3.761 ( 9.629 -4.536 -1.367) 10.731 3.837 ( 3.304 2.149 -2.761) 4.812 3.872 ( 3.288 -0.965 -0.821) 3.524 4.084 ( 4.565 5.991 2.842) 8.050 4.193 ( 4.649 -4.855 0.578) 6.746 4.343 ( 3.121 4.375 -3.537) 6.434 4.425 ( 3.254 -3.862 -1.628) 5.306 4.901 ( -4.829 0.513 -0.123) 4.857 4.912 ( -5.023 -0.504 -0.779) 5.108 5.040 ( -4.200 1.288 0.081) 4.394 5.068 ( -3.607 -1.463 -0.962) 4.010 5.216 ( -2.026 0.835 0.737) 2.312 5.230 ( -3.387 -0.711 0.118) 3.463 5.262 ( -3.943 1.146 0.125) 4.108 5.283 ( -3.188 -1.001 0.288) 3.353 5.592 ( -6.147 0.682 1.825) 6.448 5.609 ( -6.502 -0.954 0.845) 6.625 5.656 ( -5.798 0.595 -1.898) 6.130 5.664 ( -6.749 -0.292 -2.213) 7.109 5.890 ( -7.510 0.377 -1.508) 7.669 5.903 ( -6.696 -0.945 -1.210) 6.869 5.945 ( -4.275 1.133 -0.619) 4.466 5.963 ( -2.910 -0.661 0.043) 2.984 7.738 ( -0.010 1.052 0.675) 1.250 7.760 ( -0.507 -1.118 0.659) 1.393 7.999 ( 4.771 1.357 -2.859) 5.725 8.025 ( 3.680 -1.205 -3.027) 4.915 8.362 ( -1.766 1.251 2.769) 3.514 8.390 ( -2.218 -1.501 2.220) 3.479 8.685 ( 1.897 0.330 -4.222) 4.641 8.690 ( 1.974 -0.153 -3.944) 4.413 9.075 ( 2.025 0.157 1.761) 2.688 9.078 ( 1.970 -0.181 1.918) 2.756 9.143 ( 0.228 0.590 -1.345) 1.486 9.154 ( 0.254 -0.508 -1.372) 1.485 9.568 ( -1.730 0.475 2.626) 3.181 9.579 ( -1.306 -0.566 2.482) 2.861 9.633 ( -3.797 2.361 3.872) 5.915 9.686 ( -5.831 -2.948 2.924) 7.158 9.964 ( -4.039 0.737 -1.351) 4.322 9.978 ( -3.116 -0.552 0.088) 3.165 10.055 ( -3.983 2.298 -1.814) 4.943 10.097 ( -4.497 -1.823 -3.078) 5.746 ======================= Grid point 66 (41/74) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 2.221 2.548 -6.827) 7.618 1.430 ( 0.566 -4.607 -8.316) 9.524 1.666 ( -1.206 2.993 -1.676) 3.636 1.712 ( 4.401 5.552 3.145) 7.751 1.725 ( 1.275 -2.358 -0.576) 2.741 1.783 ( 8.369 -0.140 5.990) 10.293 1.806 ( 5.824 -1.318 1.202) 6.091 1.827 ( 3.562 -3.727 0.162) 5.158 1.972 ( 0.989 2.959 -0.897) 3.247 2.026 ( 2.938 -1.727 -0.483) 3.442 2.040 ( 4.825 1.605 -1.245) 5.235 2.051 ( 1.153 0.568 -3.064) 3.323 2.068 ( -0.310 1.048 -1.554) 1.899 2.127 ( -2.419 -5.044 -1.796) 5.875 2.286 ( 2.001 0.200 2.011) 2.844 2.297 ( 2.697 -1.365 1.931) 3.587 2.356 ( 2.831 1.383 5.994) 6.771 2.385 ( 3.454 -2.631 2.701) 5.114 2.425 ( 2.901 4.592 -2.166) 5.848 2.441 ( 0.830 2.459 0.879) 2.740 2.484 ( 2.535 -1.741 -0.594) 3.132 2.541 ( 0.896 -4.173 -6.897) 8.111 2.652 ( 3.458 5.008 6.461) 8.876 2.708 ( 5.092 -0.927 8.173) 9.674 2.803 ( 6.126 0.171 1.438) 6.295 2.825 ( 5.549 -2.375 1.790) 6.295 2.950 ( 8.489 2.955 -0.429) 8.999 2.998 ( 10.463 -0.604 -1.624) 10.606 3.083 ( 1.069 0.347 3.261) 3.449 3.117 ( 6.246 -2.198 2.455) 7.062 3.169 ( 6.297 4.003 1.271) 7.569 3.254 ( 7.539 -4.062 0.795) 8.601 3.390 ( 8.042 2.638 -0.641) 8.488 3.427 ( 0.176 -0.791 2.108) 2.259 3.449 ( 13.335 -0.433 0.145) 13.342 3.471 ( 16.862 -3.049 2.336) 17.294 3.503 ( 12.526 1.285 -0.887) 12.623 3.535 ( 8.745 -1.748 0.269) 8.922 3.728 ( 4.284 5.464 -1.162) 7.040 3.779 ( 10.609 -0.230 -2.798) 10.974 3.855 ( 15.393 0.040 -1.401) 15.456 3.905 ( 11.012 -2.554 -0.275) 11.308 3.984 ( 11.844 -1.318 -0.969) 11.957 4.006 ( 13.292 -2.163 -0.763) 13.488 4.226 ( 8.180 5.571 1.206) 9.970 4.317 ( 8.502 -3.711 0.281) 9.281 4.380 ( 5.584 5.542 -3.030) 8.431 4.475 ( 4.697 -3.879 -2.497) 6.583 4.782 ( -8.035 0.181 -0.444) 8.049 4.784 ( -7.969 -0.059 -0.899) 8.020 4.921 ( -10.517 1.216 0.205) 10.589 4.947 ( -10.179 -1.277 -0.384) 10.266 5.141 ( -5.342 0.615 -2.046) 5.753 5.155 ( -4.709 -0.814 -1.443) 4.992 5.186 ( -4.445 1.200 -0.036) 4.604 5.213 ( -5.235 -1.390 -0.107) 5.418 5.445 ( -11.296 0.687 0.873) 11.350 5.462 ( -10.250 -0.969 0.321) 10.300 5.529 ( -7.007 1.741 2.273) 7.569 5.559 ( -6.098 -1.291 1.634) 6.444 5.747 ( -5.192 1.066 -1.158) 5.425 5.772 ( -4.621 -1.567 -1.669) 5.157 5.856 ( -4.607 2.412 -0.729) 5.251 5.898 ( -4.095 -1.842 -0.233) 4.496 7.756 ( 0.583 0.781 1.562) 1.841 7.773 ( 0.224 -0.822 1.807) 1.998 8.034 ( 3.023 0.462 -3.596) 4.720 8.043 ( 2.424 -0.378 -3.009) 3.882 8.369 ( -1.387 0.664 3.828) 4.126 8.384 ( -1.901 -0.754 3.487) 4.043 8.687 ( 2.348 0.553 -2.280) 3.319 8.697 ( 2.655 -0.465 -2.347) 3.574 9.117 ( 1.230 0.090 0.311) 1.272 9.120 ( 0.980 -0.177 -0.032) 0.996 9.134 ( 0.551 0.586 -0.863) 1.180 9.144 ( 0.342 -0.482 -1.385) 1.506 9.531 ( -3.233 0.498 -0.258) 3.282 9.545 ( -2.652 -0.901 -0.909) 2.945 9.626 ( -3.228 0.400 4.393) 5.466 9.632 ( -4.032 0.002 3.395) 5.271 9.889 ( -3.008 1.472 -0.942) 3.479 9.926 ( -2.593 -2.277 -1.418) 3.731 9.994 ( -1.931 0.948 0.333) 2.177 10.004 ( -2.645 -0.175 -0.318) 2.670 ======================= Grid point 67 (42/74) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -1.777 0.689 -5.832) 6.135 1.317 ( -4.198 -1.621 -6.201) 7.662 1.586 ( -4.054 2.603 -3.501) 5.956 1.645 ( -5.553 -1.710 -4.452) 7.319 1.732 ( -0.190 1.619 -4.225) 4.529 1.767 ( -3.447 -0.461 -3.554) 4.973 1.876 ( -6.108 3.976 -3.368) 8.029 1.953 ( -3.496 -2.274 1.094) 4.312 1.964 ( 3.688 1.398 0.771) 4.019 2.016 ( 3.495 -1.636 2.366) 4.527 2.084 ( 4.991 0.389 2.367) 5.537 2.103 ( 4.160 1.295 -2.541) 5.044 2.122 ( 2.876 -0.658 -2.151) 3.651 2.155 ( 5.034 -6.670 3.312) 8.989 2.315 ( 0.116 1.225 1.194) 1.715 2.341 ( 0.698 -1.585 0.840) 1.925 2.382 ( -0.201 2.481 -1.763) 3.050 2.433 ( 0.965 -2.656 -0.875) 2.958 2.469 ( 0.868 2.399 4.580) 5.243 2.517 ( 2.472 1.863 4.067) 5.111 2.530 ( 0.989 -1.485 3.437) 3.873 2.566 ( 4.191 -1.540 4.848) 6.591 2.746 ( -0.529 5.174 7.219) 8.897 2.812 ( -1.796 -1.140 5.673) 6.059 2.905 ( 2.429 -0.178 2.267) 3.327 2.923 ( 4.188 -1.792 2.757) 5.325 3.027 ( 1.855 2.489 -2.967) 4.294 3.072 ( -0.987 -0.985 -3.377) 3.653 3.111 ( 1.960 1.327 -1.713) 2.922 3.157 ( 0.899 -2.159 1.279) 2.666 3.284 ( 2.151 -0.042 -0.112) 2.155 3.316 ( 0.274 -2.689 -0.654) 2.781 3.433 ( -0.515 1.345 4.584) 4.805 3.448 ( -2.004 -0.532 5.660) 6.028 3.527 ( 2.458 4.256 -0.669) 4.960 3.610 ( 4.114 -4.186 -2.168) 6.257 3.768 ( 4.752 6.100 -1.014) 7.799 3.867 ( 14.112 -2.718 -0.255) 14.374 3.906 ( 16.470 0.512 0.095) 16.478 3.938 ( 9.138 -4.097 -1.618) 10.145 4.120 ( 7.831 3.042 -0.545) 8.419 4.165 ( 10.776 -1.775 -0.676) 10.942 4.175 ( 11.741 0.471 -0.634) 11.768 4.200 ( 10.846 -1.649 -1.138) 11.030 4.382 ( 6.720 4.263 0.505) 7.974 4.446 ( 6.873 -0.929 -0.171) 6.937 4.490 ( 4.033 0.155 -3.544) 5.371 4.508 ( 0.719 -2.579 -3.554) 4.450 4.632 ( -6.597 1.012 -0.404) 6.686 4.657 ( -4.630 -1.118 -0.445) 4.784 4.703 ( -9.735 2.043 0.353) 9.954 4.731 ( -9.160 -0.740 -0.086) 9.190 5.010 ( -4.919 -0.128 -1.871) 5.265 5.020 ( -6.147 -1.154 -1.556) 6.445 5.060 ( -8.237 0.880 -1.048) 8.350 5.071 ( -8.611 -0.115 -0.992) 8.669 5.314 ( -2.968 1.097 0.865) 3.280 5.343 ( -2.736 -1.870 0.478) 3.348 5.429 ( -5.064 1.902 0.231) 5.415 5.460 ( -5.747 -1.362 0.381) 5.918 5.711 ( 0.267 1.738 1.501) 2.311 5.741 ( 1.531 -1.311 1.049) 2.272 5.790 ( -0.939 1.819 -1.115) 2.331 5.828 ( -2.776 -1.934 -0.250) 3.393 7.783 ( 0.036 0.573 2.017) 2.097 7.795 ( -0.427 -0.624 2.317) 2.437 8.034 ( 1.700 1.105 -3.617) 4.146 8.057 ( 2.759 -1.118 -3.411) 4.527 8.392 ( -1.198 0.158 4.759) 4.910 8.396 ( -1.663 -0.172 4.732) 5.018 8.720 ( 3.070 0.713 -0.819) 3.256 8.734 ( 3.269 -0.597 -0.995) 3.469 9.113 ( 0.389 0.186 -1.663) 1.718 9.120 ( 0.203 -0.589 -1.490) 1.615 9.142 ( 0.307 0.269 -0.479) 0.630 9.143 ( 0.232 0.149 -0.349) 0.445 9.467 ( -3.036 0.255 -0.862) 3.167 9.481 ( -2.789 -1.294 -1.574) 3.454 9.579 ( -3.926 2.337 0.983) 4.673 9.612 ( -3.414 -1.072 2.648) 4.451 9.843 ( -1.326 0.538 0.076) 1.433 9.861 ( -1.696 -1.173 -1.986) 2.863 9.993 ( 1.010 0.894 1.370) 1.923 10.007 ( 1.283 -0.538 1.300) 1.904 ======================= Grid point 68 (43/74) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -10.161 3.019 -0.034) 10.600 1.203 ( -5.198 -2.220 -0.005) 5.652 1.442 ( -10.301 -0.246 -2.089) 10.513 1.469 ( -7.984 -2.027 -3.220) 8.844 1.616 ( -5.904 2.815 -4.987) 8.225 1.651 ( -2.518 -0.904 -7.142) 7.627 1.736 ( -7.337 4.595 0.887) 8.702 1.836 ( -9.234 -5.114 0.614) 10.573 2.030 ( 3.675 1.876 -0.744) 4.193 2.076 ( 3.075 -2.064 -2.246) 4.331 2.106 ( -0.944 1.840 -2.819) 3.496 2.126 ( 0.248 0.274 -0.556) 0.667 2.192 ( 2.230 0.993 1.090) 2.674 2.241 ( 1.993 -3.126 -1.311) 3.932 2.314 ( -0.484 0.442 -2.149) 2.247 2.329 ( 0.407 -1.538 -1.252) 2.024 2.414 ( 0.774 0.809 3.724) 3.888 2.454 ( 1.732 -2.558 0.979) 3.240 2.523 ( -0.857 2.513 4.466) 5.195 2.571 ( 0.164 -2.025 3.656) 4.182 2.634 ( 2.494 3.955 6.726) 8.191 2.710 ( 2.486 -3.777 7.546) 8.797 2.779 ( -4.851 3.236 5.853) 8.262 2.810 ( -3.805 0.194 7.715) 8.605 2.944 ( -0.046 2.668 0.815) 2.790 2.996 ( -0.596 0.087 -4.380) 4.421 3.006 ( 0.788 -0.664 -5.859) 5.949 3.012 ( 1.932 -3.146 2.681) 4.563 3.074 ( -1.923 3.930 -2.054) 4.833 3.157 ( -2.198 -4.518 -0.366) 5.038 3.256 ( -2.424 1.284 -1.300) 3.036 3.291 ( -2.896 -3.009 -0.229) 4.183 3.444 ( -5.236 1.542 5.846) 7.998 3.468 ( -3.954 -1.066 6.535) 7.712 3.552 ( -0.582 4.667 1.439) 4.919 3.620 ( -1.832 -2.618 -1.696) 3.618 3.751 ( -6.270 3.405 -2.922) 7.710 3.831 ( -10.083 -4.815 -0.782) 11.200 3.943 ( -14.189 0.231 -0.870) 14.218 3.958 ( -11.908 -1.419 -1.618) 12.101 4.072 ( -7.056 3.548 -0.608) 7.921 4.107 ( -10.912 0.067 -2.469) 11.188 4.186 ( -9.951 4.010 -2.521) 11.021 4.251 ( -8.916 -2.020 -2.939) 9.603 4.365 ( -6.710 -1.682 1.483) 7.075 4.391 ( -14.407 -3.575 -1.652) 14.935 4.517 ( -0.640 2.282 0.415) 2.406 4.554 ( -3.893 -1.208 0.738) 4.142 4.619 ( 11.080 1.063 0.194) 11.132 4.634 ( 11.616 -0.326 -0.275) 11.624 4.684 ( 10.542 2.948 -0.530) 10.960 4.743 ( 9.231 -2.728 -1.270) 9.709 5.006 ( 2.946 1.012 -1.079) 3.297 5.022 ( 3.956 -0.340 -0.301) 3.982 5.038 ( 6.932 0.137 -0.536) 6.954 5.050 ( 8.877 -0.818 -1.115) 8.984 5.327 ( 4.418 1.410 -1.181) 4.785 5.355 ( 4.604 -1.215 -0.610) 4.800 5.392 ( 2.300 0.142 -2.151) 3.152 5.394 ( 2.025 0.052 -1.451) 2.492 5.752 ( 2.342 1.373 1.018) 2.899 5.787 ( 0.316 -1.787 0.402) 1.859 5.822 ( 4.541 1.396 1.093) 4.875 5.849 ( 5.768 -0.996 1.622) 6.074 7.795 ( -0.992 0.400 1.857) 2.143 7.805 ( -0.964 -0.561 2.208) 2.474 8.022 ( 1.258 2.201 -3.767) 4.541 8.067 ( 2.609 -2.177 -3.916) 5.185 8.418 ( -1.789 0.370 5.312) 5.617 8.427 ( -1.329 -0.445 5.576) 5.749 8.766 ( 2.867 0.865 -1.227) 3.236 8.782 ( 3.057 -0.656 -1.283) 3.380 9.104 ( -0.164 -0.280 -1.277) 1.317 9.107 ( -0.280 -0.528 -1.071) 1.227 9.135 ( -0.004 0.582 -0.947) 1.112 9.138 ( 0.443 0.259 -0.680) 0.852 9.413 ( -2.106 -0.009 -0.300) 2.127 9.421 ( -2.310 -1.013 -0.747) 2.630 9.517 ( -3.435 3.020 0.292) 4.583 9.566 ( -3.376 -1.980 0.754) 3.986 9.842 ( 0.964 0.365 -0.192) 1.048 9.851 ( 1.563 -0.508 0.974) 1.910 10.046 ( 3.339 0.859 0.815) 3.543 10.063 ( 3.600 -0.771 0.628) 3.735 ======================= Grid point 69 (44/74) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -12.596 6.282 9.518) 16.992 1.105 ( -10.778 -2.130 6.382) 12.706 1.197 ( -13.524 -1.732 0.297) 13.638 1.289 ( -11.083 -6.371 0.600) 12.797 1.483 ( -3.707 5.482 -1.640) 6.818 1.553 ( -3.320 -1.216 -2.887) 4.564 1.610 ( -8.641 2.681 2.935) 9.511 1.665 ( -10.476 -2.554 1.642) 10.907 2.026 ( -5.302 2.058 0.611) 5.720 2.061 ( -0.801 -0.898 -0.511) 1.308 2.076 ( -0.719 0.134 -4.542) 4.600 2.105 ( 0.867 -1.859 -3.158) 3.766 2.195 ( -2.409 1.617 0.222) 2.910 2.210 ( -3.732 0.826 -1.607) 4.147 2.270 ( -0.962 2.236 -3.711) 4.438 2.322 ( 0.144 -2.824 -1.069) 3.023 2.444 ( -1.829 1.506 1.625) 2.873 2.477 ( -2.325 0.107 0.493) 2.379 2.520 ( -1.730 -0.654 1.981) 2.710 2.563 ( -4.798 -3.636 0.636) 6.054 2.693 ( -4.468 2.850 4.413) 6.896 2.728 ( -1.648 -0.462 4.984) 5.270 2.788 ( -3.633 -1.763 0.254) 4.047 2.806 ( -4.485 -0.980 3.276) 5.640 2.923 ( -1.891 1.774 -3.713) 4.529 2.933 ( -3.806 -0.332 -3.556) 5.219 2.962 ( -3.245 2.063 1.257) 4.046 2.999 ( -1.444 0.786 2.096) 2.664 3.091 ( -0.629 -1.382 4.660) 4.901 3.109 ( -4.151 -2.843 1.726) 5.319 3.188 ( -6.136 1.165 2.879) 6.877 3.209 ( -7.352 -0.963 2.376) 7.786 3.330 ( -13.744 0.902 3.425) 14.193 3.367 ( -13.393 -2.917 2.577) 13.948 3.433 ( -14.650 1.083 -4.353) 15.321 3.471 ( -15.104 -2.728 -2.892) 15.618 3.542 ( -7.783 4.630 -2.847) 9.493 3.608 ( -9.334 -1.437 1.585) 9.576 3.622 ( -13.602 3.543 -0.543) 14.067 3.701 ( -8.797 -2.772 -5.353) 10.664 3.850 ( -13.031 2.156 -0.641) 13.223 3.902 ( -14.963 0.065 -1.232) 15.014 3.923 ( -10.872 1.774 -1.513) 11.119 3.993 ( -13.791 -3.329 -1.697) 14.288 4.139 ( -8.435 6.596 3.434) 11.245 4.279 ( -6.088 -7.126 3.482) 9.999 4.460 ( -2.131 1.284 -1.671) 2.997 4.483 ( -1.560 -0.993 -2.816) 3.369 4.845 ( 9.577 0.541 1.252) 9.673 4.853 ( 10.358 -0.107 0.826) 10.391 4.904 ( 10.317 2.300 -0.166) 10.572 4.951 ( 10.644 -2.326 -1.086) 10.949 5.031 ( 3.212 1.616 -2.035) 4.132 5.062 ( 2.522 -1.648 -1.558) 3.391 5.121 ( 2.955 1.701 -1.283) 3.643 5.154 ( 3.298 -1.649 -1.842) 4.122 5.458 ( 10.144 1.310 -0.149) 10.230 5.479 ( 10.368 -0.802 -0.171) 10.400 5.519 ( 11.106 1.314 0.427) 11.192 5.542 ( 12.677 -0.914 -0.899) 12.742 5.803 ( 2.046 -0.087 -0.385) 2.083 5.819 ( 3.676 -1.879 -0.121) 4.130 5.936 ( 6.789 3.347 0.002) 7.569 5.986 ( 7.217 -1.889 0.434) 7.473 7.791 ( -1.372 0.812 1.610) 2.266 7.812 ( -0.558 -1.394 1.796) 2.341 7.991 ( -0.307 3.393 -4.181) 5.393 8.056 ( 1.175 -3.011 -5.414) 6.305 8.441 ( -2.138 0.884 5.452) 5.923 8.462 ( -1.413 -1.246 5.730) 6.031 8.786 ( 1.793 0.992 -2.983) 3.619 8.803 ( 1.840 -0.700 -3.155) 3.718 9.062 ( -2.668 0.193 -1.614) 3.124 9.072 ( -2.012 -0.873 -1.696) 2.773 9.142 ( 1.489 1.288 -0.321) 1.995 9.159 ( 1.946 -0.453 -0.033) 1.998 9.387 ( -1.118 0.038 0.840) 1.399 9.394 ( -1.094 -0.506 1.339) 1.801 9.481 ( -1.812 2.438 3.040) 4.297 9.524 ( -2.164 -1.867 1.413) 3.188 9.884 ( 3.245 2.005 0.965) 3.935 9.924 ( 5.476 -1.866 1.018) 5.874 10.121 ( 4.724 1.073 -0.571) 4.877 10.143 ( 5.276 -1.100 -0.568) 5.419 ======================= Grid point 70 (45/74) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -15.582 8.086 8.937) 19.699 0.940 ( -10.031 6.344 14.872) 19.027 1.087 ( -7.224 -8.491 10.029) 14.995 1.104 ( -12.338 -12.280 6.015) 18.417 1.397 ( -15.344 6.544 7.239) 18.184 1.468 ( -0.885 4.306 5.212) 6.819 1.492 ( -10.682 1.470 5.935) 12.308 1.587 ( -0.406 -4.855 2.621) 5.532 1.923 ( -9.128 0.917 1.131) 9.243 1.945 ( -6.263 -1.227 -1.286) 6.511 2.006 ( -3.789 0.680 -5.635) 6.825 2.053 ( -4.045 -2.963 -3.490) 6.109 2.089 ( -7.821 4.202 -0.186) 8.880 2.121 ( -5.919 2.273 -0.743) 6.384 2.197 ( -3.382 5.027 -2.608) 6.596 2.272 ( -7.555 3.129 -2.607) 8.583 2.329 ( -6.751 -6.686 -0.223) 9.504 2.377 ( -13.574 -5.421 -1.017) 14.652 2.430 ( -6.234 1.357 0.293) 6.387 2.494 ( -4.705 -3.627 -1.742) 6.191 2.625 ( -8.340 3.062 0.097) 8.884 2.652 ( -7.247 0.553 -2.894) 7.823 2.689 ( -3.606 -2.408 -1.500) 4.588 2.714 ( -10.563 -1.555 5.521) 12.020 2.794 ( -4.697 -0.144 -1.500) 4.933 2.804 ( -6.604 -1.322 1.503) 6.901 2.886 ( -8.940 0.831 -5.820) 10.700 2.901 ( -7.088 -0.358 -4.275) 8.285 2.973 ( -11.093 2.381 -0.440) 11.354 3.018 ( -10.168 -2.001 -3.313) 10.880 3.037 ( -11.697 1.307 -0.954) 11.808 3.100 ( -3.206 -2.887 1.385) 4.531 3.177 ( -5.480 4.689 3.611) 8.066 3.217 ( -2.713 1.259 4.639) 5.519 3.253 ( -2.530 -0.604 1.075) 2.814 3.287 ( -2.393 -2.880 4.619) 5.946 3.360 ( -4.048 3.052 -2.373) 5.597 3.431 ( -6.190 -0.943 -0.408) 6.275 3.533 ( -9.251 -0.419 -0.500) 9.274 3.561 ( -10.621 -2.947 0.768) 11.049 3.642 ( -6.466 3.374 0.734) 7.330 3.668 ( -2.989 0.282 2.760) 4.078 3.773 ( -2.754 4.481 -1.836) 5.571 3.868 ( -1.915 -4.724 -1.946) 5.456 4.098 ( -2.418 5.820 3.498) 7.208 4.226 ( -3.781 -7.030 2.757) 8.445 4.418 ( -0.096 1.568 -2.424) 2.888 4.435 ( 0.764 -0.346 -4.657) 4.732 4.969 ( 0.929 1.006 1.844) 2.297 4.979 ( 2.032 -0.020 -0.119) 2.035 4.990 ( 6.104 0.879 -0.507) 6.187 5.019 ( 3.538 -1.574 -0.367) 3.890 5.128 ( 3.990 1.050 -1.001) 4.246 5.145 ( 3.980 -0.566 -0.032) 4.021 5.181 ( 6.848 0.395 -0.596) 6.885 5.192 ( 4.457 -0.667 -0.347) 4.520 5.626 ( 7.514 1.485 0.205) 7.662 5.660 ( 8.729 -1.874 0.392) 8.936 5.719 ( 9.547 1.637 0.290) 9.690 5.746 ( 9.281 -0.609 0.040) 9.301 5.839 ( 3.503 0.816 -1.066) 3.751 5.877 ( 3.265 -2.818 -1.239) 4.487 6.034 ( 4.691 3.000 -2.142) 5.966 6.082 ( 3.867 -1.911 -2.610) 5.041 7.784 ( -1.197 1.257 1.248) 2.138 7.816 ( -1.077 -2.186 0.488) 2.485 7.920 ( -2.282 3.105 -3.643) 5.303 7.972 ( -3.429 -2.168 -7.166) 8.235 8.455 ( -2.380 1.511 4.521) 5.328 8.495 ( -1.295 -2.449 4.412) 5.210 8.771 ( 1.150 0.801 -4.296) 4.519 8.785 ( 0.919 -0.513 -4.505) 4.626 8.987 ( -3.530 0.890 -1.085) 3.799 9.010 ( -2.776 -1.429 -1.255) 3.365 9.164 ( 1.145 1.652 -0.614) 2.102 9.187 ( 1.290 -0.731 -0.750) 1.662 9.394 ( -0.369 0.435 2.738) 2.796 9.398 ( -0.417 0.214 2.042) 2.095 9.538 ( 0.267 0.151 4.844) 4.854 9.553 ( 2.928 -1.500 9.116) 9.692 9.977 ( 6.126 5.286 1.157) 8.173 10.063 ( 9.455 -3.157 -0.880) 10.007 10.195 ( 5.154 1.622 -2.071) 5.787 10.233 ( 6.221 -1.980 -2.051) 6.843 ======================= Grid point 71 (46/74) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -11.167 8.301 13.342) 19.277 0.886 ( -13.666 6.990 10.666) 18.692 0.984 ( -11.406 -7.944 10.152) 17.213 1.109 ( -5.059 -11.471 12.238) 17.520 1.301 ( -8.025 7.126 22.014) 24.490 1.408 ( -5.227 -1.491 9.653) 11.078 1.554 ( 0.425 4.463 8.714) 9.800 1.641 ( 0.220 -4.145 6.331) 7.571 1.742 ( -12.904 1.810 -3.814) 13.577 1.788 ( -7.815 -2.530 -2.306) 8.532 1.822 ( -7.069 4.828 -3.056) 9.090 1.906 ( -9.997 -0.176 -0.978) 10.047 1.961 ( -4.287 -2.272 0.176) 4.855 1.973 ( -10.605 -0.618 0.637) 10.642 2.019 ( -8.213 4.956 -4.779) 10.717 2.084 ( -8.692 -0.238 -3.935) 9.544 2.173 ( -4.454 -0.983 0.685) 4.613 2.231 ( -4.282 -2.635 -1.562) 5.265 2.268 ( -8.411 -0.537 -2.195) 8.709 2.349 ( -4.517 -5.742 -0.184) 7.309 2.476 ( -3.929 3.680 -2.939) 6.133 2.541 ( -2.602 -1.317 -2.917) 4.125 2.600 ( -5.366 1.428 -0.398) 5.567 2.645 ( -4.862 -2.056 3.966) 6.603 2.675 ( -5.099 2.563 -8.627) 10.344 2.680 ( -5.251 0.827 -2.849) 6.031 2.712 ( -6.471 -0.665 -1.995) 6.804 2.752 ( -5.354 -3.196 -3.904) 7.356 2.774 ( 0.270 1.234 -3.048) 3.299 2.865 ( -1.717 -4.373 -0.745) 4.757 2.974 ( -0.385 4.479 -3.314) 5.585 3.045 ( -1.883 -0.166 -2.380) 3.039 3.136 ( -4.044 4.910 -4.667) 7.889 3.199 ( -2.374 -1.210 -1.177) 2.913 3.239 ( -1.297 0.344 3.651) 3.890 3.295 ( -2.586 -3.496 4.803) 6.479 3.366 ( -3.933 3.187 5.797) 7.697 3.394 ( 1.474 0.135 1.273) 1.952 3.412 ( 1.287 -1.400 -1.325) 2.318 3.427 ( -3.815 -2.617 5.759) 7.387 3.628 ( -0.516 6.101 2.014) 6.445 3.698 ( 0.702 -1.642 3.253) 3.711 3.769 ( 1.443 3.016 1.243) 3.567 3.836 ( 0.692 -3.393 -2.045) 4.022 4.096 ( -1.408 3.210 1.738) 3.912 4.194 ( -2.326 -6.534 0.769) 6.978 4.404 ( 2.292 2.113 -4.806) 5.728 4.416 ( 2.483 0.852 -4.683) 5.368 5.002 ( 0.882 1.084 1.225) 1.858 5.016 ( 2.388 0.270 0.381) 2.433 5.073 ( 1.233 0.181 2.104) 2.445 5.091 ( 5.492 -1.417 -1.422) 5.847 5.171 ( 2.444 1.469 0.332) 2.871 5.200 ( 2.665 -1.451 2.018) 3.644 5.277 ( 4.667 0.749 0.081) 4.728 5.288 ( 4.711 -0.402 -0.305) 4.738 5.716 ( 2.821 1.749 -0.838) 3.424 5.764 ( 2.826 -2.994 -1.463) 4.369 5.811 ( 0.743 1.067 -0.598) 1.431 5.838 ( 1.073 -1.107 -1.091) 1.889 5.925 ( 5.618 -0.066 -0.409) 5.633 5.931 ( 5.059 -0.308 -0.753) 5.124 6.046 ( -2.249 0.486 -2.755) 3.589 6.047 ( -0.815 0.360 -2.285) 2.452 7.762 ( -2.098 0.548 -0.037) 2.169 7.774 ( -1.884 -0.412 0.260) 1.946 7.826 ( -3.778 3.000 -2.487) 5.427 7.876 ( -0.552 -1.821 -1.356) 2.336 8.445 ( -2.953 2.019 2.467) 4.345 8.496 ( -2.116 -3.033 1.302) 3.921 8.744 ( 1.464 0.441 -4.893) 5.126 8.751 ( 1.082 -0.229 -4.830) 4.955 8.939 ( -1.636 1.118 1.578) 2.533 8.965 ( -1.900 -1.514 1.342) 2.776 9.167 ( 0.321 1.371 -1.049) 1.756 9.187 ( 0.119 -0.697 -1.249) 1.435 9.428 ( 0.305 0.284 3.862) 3.885 9.430 ( 0.256 0.145 4.236) 4.246 9.619 ( 0.966 3.644 6.572) 7.576 9.730 ( 3.901 -8.291 8.064) 12.207 10.119 ( 8.531 6.942 -2.779) 11.344 10.183 ( 5.982 -0.444 -5.876) 8.397 10.273 ( 6.729 0.912 -2.961) 7.408 10.315 ( 6.058 -2.161 -3.964) 7.555 ======================= Grid point 81 (47/74) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 4.230 0.000 14.673) 15.271 1.157 ( -1.185 0.000 12.867) 12.921 1.164 ( 2.901 0.000 0.213) 2.908 1.279 ( -5.130 0.000 -5.493) 7.515 1.415 ( -4.874 0.000 -4.753) 6.808 1.460 ( 0.333 0.000 2.641) 2.662 1.545 ( 1.422 0.000 -0.092) 1.425 1.571 ( 2.549 0.000 9.004) 9.358 1.583 ( -1.910 0.000 -5.301) 5.634 1.674 ( 4.026 0.000 -7.468) 8.484 1.797 ( 1.023 0.000 -3.991) 4.120 1.850 ( -2.628 0.000 3.671) 4.515 1.957 ( 0.349 0.000 3.769) 3.785 1.974 ( 2.900 0.000 -0.365) 2.923 2.034 ( 1.106 0.000 6.351) 6.447 2.108 ( 3.052 0.000 7.910) 8.479 2.202 ( 0.974 0.000 -3.227) 3.371 2.253 ( -0.498 0.000 0.271) 0.567 2.284 ( 2.150 0.000 3.454) 4.069 2.305 ( 0.627 0.000 3.097) 3.160 2.355 ( -4.113 0.000 -0.208) 4.118 2.410 ( -1.709 0.000 -2.423) 2.966 2.434 ( -2.756 0.000 4.665) 5.418 2.437 ( -1.156 0.000 -4.571) 4.715 2.561 ( -1.379 0.000 -7.210) 7.341 2.566 ( 0.137 0.000 3.622) 3.625 2.616 ( 0.374 0.000 -4.362) 4.378 2.683 ( -0.856 0.000 -1.891) 2.076 2.733 ( -0.472 0.000 -3.119) 3.155 2.809 ( -3.030 0.000 0.079) 3.031 2.830 ( 0.551 0.000 1.496) 1.594 2.964 ( -0.620 0.000 6.305) 6.336 3.025 ( -2.375 0.000 -6.527) 6.945 3.145 ( -1.477 0.000 3.023) 3.365 3.178 ( 2.065 0.000 -0.349) 2.094 3.348 ( 0.708 0.000 -5.029) 5.078 3.427 ( -0.303 0.000 6.383) 6.390 3.495 ( -0.553 0.000 4.912) 4.943 3.513 ( -1.059 0.000 5.185) 5.292 3.609 ( 3.278 0.000 1.384) 3.558 3.622 ( -1.593 0.000 2.214) 2.727 3.755 ( -0.023 0.000 -1.462) 1.463 3.781 ( -0.771 0.000 0.437) 0.886 3.816 ( 1.476 0.000 -3.921) 4.190 4.068 ( -2.793 0.000 -1.499) 3.170 4.173 ( 2.944 0.000 -8.125) 8.642 4.225 ( -0.724 0.000 1.776) 1.918 4.374 ( 1.633 0.000 -1.825) 2.449 5.001 ( -1.760 0.000 0.149) 1.766 5.001 ( -0.511 0.000 0.437) 0.673 5.124 ( 0.539 0.000 -0.173) 0.566 5.151 ( 0.556 0.000 -1.231) 1.351 5.227 ( -0.504 0.000 3.323) 3.361 5.306 ( 1.085 0.000 -0.944) 1.438 5.323 ( 1.024 0.000 -0.309) 1.070 5.333 ( 0.375 0.000 -0.001) 0.375 5.701 ( -0.372 0.000 -0.408) 0.552 5.722 ( -1.344 0.000 -0.408) 1.405 5.735 ( -0.298 0.000 -2.030) 2.052 5.766 ( -0.031 0.000 -2.566) 2.566 5.989 ( 1.566 0.000 0.629) 1.688 6.008 ( 0.780 0.000 -0.492) 0.922 6.022 ( 1.100 0.000 1.325) 1.722 6.049 ( -0.823 0.000 -0.051) 0.825 7.760 ( -2.214 0.000 0.865) 2.377 7.791 ( 4.072 0.000 -0.202) 4.077 7.845 ( -2.955 0.000 -0.131) 2.958 7.851 ( 5.261 0.000 0.301) 5.269 8.430 ( -3.355 0.000 2.808) 4.375 8.487 ( -2.303 0.000 1.255) 2.623 8.606 ( 2.448 0.000 -5.804) 6.299 8.628 ( 2.056 0.000 -5.084) 5.484 9.022 ( 0.515 0.000 3.675) 3.711 9.044 ( -0.561 0.000 3.238) 3.286 9.127 ( 0.346 0.000 -1.480) 1.520 9.151 ( 0.253 0.000 -1.979) 1.996 9.586 ( 0.700 0.000 5.101) 5.149 9.591 ( 0.344 0.000 4.394) 4.408 9.706 ( -1.735 0.000 3.322) 3.748 9.912 ( -1.178 0.000 -5.508) 5.633 10.025 ( -0.137 0.000 1.358) 1.365 10.056 ( 0.102 0.000 -2.987) 2.989 10.194 ( -1.914 0.000 -3.625) 4.099 10.214 ( 0.776 0.000 -5.092) 5.151 ======================= Grid point 82 (48/74) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 4.120 0.000 -3.981) 5.729 1.314 ( 14.414 0.000 -0.801) 14.437 1.327 ( 5.532 0.000 9.389) 10.898 1.411 ( 18.926 0.000 8.691) 20.826 1.443 ( 11.239 0.000 -4.367) 12.058 1.578 ( 8.841 0.000 2.224) 9.116 1.633 ( 3.636 0.000 1.711) 4.018 1.640 ( 9.781 0.000 -1.881) 9.961 1.718 ( 9.701 0.000 1.968) 9.898 1.720 ( 4.686 0.000 -2.208) 5.181 1.797 ( 1.503 0.000 -1.193) 1.919 1.812 ( 8.522 0.000 -8.357) 11.936 2.061 ( 3.372 0.000 3.839) 5.110 2.083 ( 5.465 0.000 3.527) 6.505 2.134 ( 1.906 0.000 6.438) 6.714 2.184 ( 1.592 0.000 -3.647) 3.979 2.188 ( 3.228 0.000 -4.908) 5.874 2.262 ( 4.417 0.000 -3.521) 5.649 2.276 ( -1.077 0.000 0.494) 1.185 2.367 ( 7.052 0.000 -2.473) 7.473 2.394 ( 1.271 0.000 5.904) 6.039 2.407 ( 3.258 0.000 -0.296) 3.272 2.446 ( 7.404 0.000 -1.672) 7.591 2.488 ( 2.995 0.000 -0.326) 3.013 2.550 ( 4.381 0.000 3.047) 5.337 2.584 ( 2.934 0.000 -4.579) 5.438 2.668 ( -0.719 0.000 3.326) 3.402 2.713 ( 6.078 0.000 4.126) 7.346 2.747 ( 3.608 0.000 -0.194) 3.614 2.793 ( 4.580 0.000 0.876) 4.663 2.886 ( 3.451 0.000 2.410) 4.210 2.984 ( 4.742 0.000 -3.974) 6.187 3.030 ( 0.578 0.000 4.288) 4.327 3.200 ( 3.935 0.000 -5.461) 6.731 3.223 ( 2.671 0.000 10.465) 10.801 3.321 ( 3.410 0.000 -5.954) 6.861 3.494 ( 0.004 0.000 6.014) 6.014 3.519 ( -2.203 0.000 4.021) 4.585 3.540 ( -2.478 0.000 6.218) 6.694 3.630 ( 3.448 0.000 -3.062) 4.611 3.642 ( 0.799 0.000 -2.747) 2.861 3.731 ( 0.863 0.000 -3.719) 3.818 3.760 ( -0.275 0.000 -1.740) 1.762 3.827 ( 2.436 0.000 0.206) 2.444 4.024 ( -0.877 0.000 1.397) 1.650 4.154 ( 3.515 0.000 -6.273) 7.191 4.249 ( 0.067 0.000 3.534) 3.535 4.386 ( 2.948 0.000 -3.789) 4.801 4.969 ( -2.793 0.000 1.222) 3.049 4.982 ( -2.678 0.000 0.466) 2.718 5.097 ( -2.891 0.000 0.296) 2.907 5.114 ( -2.161 0.000 -1.876) 2.861 5.238 ( -1.248 0.000 1.711) 2.117 5.291 ( -1.624 0.000 -0.895) 1.854 5.306 ( -2.544 0.000 -0.336) 2.566 5.323 ( -0.665 0.000 -0.358) 0.755 5.677 ( -2.454 0.000 1.362) 2.807 5.694 ( -2.255 0.000 -1.254) 2.580 5.703 ( -2.154 0.000 0.338) 2.180 5.732 ( -2.069 0.000 -1.680) 2.665 5.975 ( -3.206 0.000 -2.028) 3.794 5.993 ( -4.990 0.000 -0.961) 5.082 5.997 ( -0.720 0.000 0.202) 0.748 6.019 ( -2.911 0.000 1.200) 3.148 7.737 ( -0.922 0.000 0.624) 1.113 7.798 ( -1.876 0.000 0.214) 1.888 7.866 ( 5.174 0.000 -1.993) 5.545 7.940 ( 4.875 0.000 -1.914) 5.237 8.416 ( -2.361 0.000 4.061) 4.698 8.469 ( -2.277 0.000 2.802) 3.611 8.596 ( 2.855 0.000 -4.752) 5.544 8.616 ( 2.321 0.000 -4.304) 4.890 9.068 ( 0.750 0.000 2.513) 2.623 9.079 ( 0.695 0.000 2.942) 3.023 9.115 ( 0.410 0.000 -2.240) 2.277 9.136 ( 0.596 0.000 -2.170) 2.250 9.618 ( -1.375 0.000 2.044) 2.463 9.623 ( -1.102 0.000 1.354) 1.746 9.708 ( -2.732 0.000 5.844) 6.451 9.815 ( -3.573 0.000 -3.794) 5.212 10.011 ( -2.861 0.000 -0.440) 2.895 10.021 ( -1.437 0.000 0.754) 1.623 10.101 ( -4.648 0.000 -1.057) 4.767 10.155 ( -2.712 0.000 -2.657) 3.797 ======================= Grid point 83 (49/74) ======================= q-point: ( 0.22 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 3.474 0.000 -2.606) 4.343 1.412 ( 3.260 0.000 -5.806) 6.659 1.571 ( 5.069 0.000 5.160) 7.233 1.606 ( 2.254 0.000 -6.826) 7.189 1.625 ( 13.696 0.000 -0.375) 13.701 1.685 ( 6.795 0.000 -1.099) 6.883 1.701 ( 4.462 0.000 -1.870) 4.838 1.790 ( 4.927 0.000 1.950) 5.299 1.881 ( 4.478 0.000 -2.348) 5.056 1.897 ( 6.814 0.000 -4.992) 8.447 1.917 ( 12.651 0.000 4.567) 13.450 1.945 ( 6.414 0.000 2.155) 6.766 2.071 ( -0.795 0.000 -4.015) 4.093 2.175 ( 5.969 0.000 -3.795) 7.073 2.206 ( 6.365 0.000 -0.982) 6.440 2.269 ( 8.322 0.000 1.619) 8.478 2.305 ( 3.309 0.000 13.133) 13.544 2.315 ( 6.931 0.000 -3.921) 7.963 2.346 ( 3.933 0.000 3.298) 5.133 2.366 ( 2.030 0.000 -5.436) 5.802 2.442 ( 1.824 0.000 -0.456) 1.881 2.540 ( 1.095 0.000 2.725) 2.936 2.569 ( 5.432 0.000 4.746) 7.213 2.642 ( 13.102 0.000 0.443) 13.109 2.679 ( 10.227 0.000 2.994) 10.656 2.726 ( 10.064 0.000 -2.241) 10.310 2.760 ( 2.488 0.000 8.754) 9.101 2.834 ( 16.231 0.000 -0.346) 16.234 2.869 ( 11.351 0.000 -0.150) 11.352 2.990 ( 4.591 0.000 3.093) 5.536 2.998 ( 9.714 0.000 -1.439) 9.820 3.095 ( 3.722 0.000 2.640) 4.563 3.120 ( 14.009 0.000 -2.290) 14.195 3.223 ( 7.625 0.000 -7.379) 10.611 3.388 ( 11.653 0.000 -3.928) 12.297 3.394 ( 2.779 0.000 6.117) 6.718 3.515 ( -1.521 0.000 3.605) 3.913 3.529 ( -0.910 0.000 1.451) 1.713 3.576 ( -1.653 0.000 9.229) 9.376 3.628 ( 2.490 0.000 -1.664) 2.995 3.662 ( 6.619 0.000 -7.342) 9.885 3.732 ( 4.528 0.000 -3.019) 5.442 3.804 ( 9.041 0.000 -1.059) 9.103 3.897 ( 5.174 0.000 -0.299) 5.182 4.081 ( 4.171 0.000 3.172) 5.240 4.170 ( 4.697 0.000 -4.052) 6.203 4.300 ( 1.335 0.000 4.003) 4.220 4.396 ( 4.017 0.000 -5.955) 7.184 4.904 ( -6.135 0.000 0.159) 6.137 4.908 ( -5.773 0.000 0.839) 5.834 5.045 ( -4.142 0.000 1.061) 4.275 5.055 ( -2.762 0.000 -1.440) 3.115 5.212 ( -2.795 0.000 -0.662) 2.872 5.219 ( -5.096 0.000 -1.940) 5.453 5.238 ( -3.862 0.000 -0.950) 3.977 5.291 ( -2.257 0.000 -0.847) 2.411 5.615 ( -6.492 0.000 -1.398) 6.641 5.631 ( -7.243 0.000 1.829) 7.470 5.652 ( -3.917 0.000 3.902) 5.528 5.658 ( -4.170 0.000 0.815) 4.249 5.853 ( -7.568 0.000 -2.138) 7.865 5.863 ( -6.583 0.000 -2.296) 6.972 5.944 ( -6.532 0.000 0.689) 6.568 5.976 ( -2.167 0.000 0.444) 2.212 7.746 ( 0.776 0.000 1.254) 1.475 7.793 ( 0.336 0.000 1.428) 1.467 7.923 ( 4.386 0.000 -3.386) 5.541 7.980 ( 2.709 0.000 -2.863) 3.941 8.429 ( -1.730 0.000 5.117) 5.402 8.465 ( -2.267 0.000 4.235) 4.803 8.609 ( 3.189 0.000 -3.015) 4.388 8.624 ( 3.056 0.000 -2.967) 4.259 9.096 ( 0.583 0.000 -2.820) 2.880 9.103 ( 0.877 0.000 1.339) 1.600 9.120 ( 0.801 0.000 1.886) 2.049 9.124 ( 0.656 0.000 -2.282) 2.374 9.584 ( -2.860 0.000 -0.921) 3.005 9.587 ( -2.226 0.000 -1.276) 2.566 9.713 ( -4.257 0.000 -2.195) 4.790 9.726 ( -3.192 0.000 6.365) 7.121 9.954 ( -4.172 0.000 1.903) 4.586 9.989 ( -2.369 0.000 -1.270) 2.688 10.026 ( -3.502 0.000 0.958) 3.631 10.067 ( -4.531 0.000 -0.359) 4.545 ======================= Grid point 84 (50/74) ======================= q-point: ( 0.33 0.00 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.701 0.000 -1.056) 1.267 1.396 ( -0.117 0.000 -1.567) 1.571 1.539 ( -0.740 0.000 -5.989) 6.035 1.570 ( 1.197 0.000 -6.195) 6.310 1.742 ( 2.728 0.000 -3.148) 4.166 1.802 ( 4.505 0.000 -2.129) 4.982 1.816 ( -1.998 0.000 -0.830) 2.163 1.882 ( 1.207 0.000 -4.697) 4.849 1.919 ( 7.979 0.000 4.773) 9.298 1.967 ( 6.094 0.000 -2.900) 6.749 1.976 ( 1.900 0.000 -5.520) 5.838 2.006 ( 3.225 0.000 0.402) 3.250 2.070 ( 2.927 0.000 1.351) 3.223 2.206 ( 2.275 0.000 -5.487) 5.940 2.320 ( 2.205 0.000 3.411) 4.062 2.331 ( 2.118 0.000 -4.056) 4.575 2.397 ( 3.391 0.000 0.298) 3.404 2.415 ( -0.916 0.000 2.492) 2.655 2.435 ( 3.322 0.000 4.620) 5.690 2.461 ( 4.963 0.000 5.515) 7.419 2.560 ( 3.848 0.000 8.348) 9.192 2.570 ( 1.333 0.000 4.287) 4.489 2.709 ( 4.189 0.000 5.460) 6.882 2.842 ( 6.535 0.000 2.001) 6.834 2.868 ( 7.417 0.000 -3.766) 8.318 2.869 ( 1.425 0.000 7.824) 7.953 2.958 ( 7.913 0.000 6.645) 10.333 2.998 ( 3.671 0.000 -9.137) 9.847 3.044 ( 4.703 0.000 5.391) 7.154 3.125 ( 2.184 0.000 0.011) 2.184 3.180 ( 13.278 0.000 0.485) 13.287 3.281 ( 15.641 0.000 -0.726) 15.657 3.284 ( 7.348 0.000 -5.828) 9.379 3.418 ( 15.313 0.000 -1.182) 15.359 3.457 ( 8.777 0.000 -1.012) 8.835 3.542 ( 6.298 0.000 -3.478) 7.194 3.577 ( 1.941 0.000 5.454) 5.790 3.607 ( 10.836 0.000 3.347) 11.341 3.622 ( 3.586 0.000 -0.740) 3.662 3.726 ( 10.582 0.000 -2.200) 10.808 3.831 ( 15.307 0.000 0.718) 15.324 3.891 ( 16.844 0.000 -1.598) 16.920 4.007 ( 9.874 0.000 -4.389) 10.805 4.021 ( 12.559 0.000 0.209) 12.561 4.211 ( 6.823 0.000 2.521) 7.274 4.247 ( 7.802 0.000 -1.041) 7.871 4.392 ( 4.541 0.000 3.510) 5.740 4.410 ( 5.645 0.000 -6.708) 8.767 4.777 ( -8.602 0.000 0.468) 8.615 4.785 ( -8.491 0.000 0.824) 8.531 4.920 ( -11.638 0.000 0.679) 11.658 4.948 ( -9.656 0.000 -0.560) 9.673 5.082 ( -5.665 0.000 -3.096) 6.456 5.131 ( -4.048 0.000 -2.239) 4.626 5.158 ( -4.452 0.000 -1.550) 4.714 5.211 ( -6.114 0.000 -1.684) 6.342 5.460 ( -8.085 0.000 -0.414) 8.096 5.471 ( -12.330 0.000 1.612) 12.435 5.566 ( -10.526 0.000 1.441) 10.624 5.592 ( -5.014 0.000 0.372) 5.028 5.738 ( -3.364 0.000 1.169) 3.561 5.756 ( -1.841 0.000 -0.425) 1.889 5.818 ( -6.647 0.000 -0.254) 6.652 5.926 ( -4.160 0.000 1.172) 4.322 7.783 ( 1.073 0.000 2.072) 2.334 7.827 ( 0.562 0.000 2.691) 2.749 7.950 ( 3.020 0.000 -4.124) 5.111 7.988 ( 2.198 0.000 -3.197) 3.879 8.460 ( -1.418 0.000 5.834) 6.004 8.479 ( -2.020 0.000 5.638) 5.989 8.645 ( 3.482 0.000 -1.534) 3.805 8.661 ( 3.806 0.000 -1.839) 4.227 9.081 ( 0.970 0.000 -2.419) 2.606 9.110 ( 0.554 0.000 -2.343) 2.408 9.124 ( 0.404 0.000 0.270) 0.486 9.142 ( 0.057 0.000 0.667) 0.670 9.512 ( -2.934 0.000 -2.141) 3.632 9.528 ( -2.194 0.000 -2.146) 3.069 9.618 ( -4.219 0.000 -1.158) 4.375 9.716 ( -4.116 0.000 3.672) 5.516 9.901 ( -3.716 0.000 -2.860) 4.689 9.904 ( -3.765 0.000 2.024) 4.274 9.998 ( -1.485 0.000 2.026) 2.512 10.022 ( -1.434 0.000 1.439) 2.032 ======================= Grid point 85 (51/74) ======================= q-point: (-0.56 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -0.061 0.000 2.227) 2.228 1.342 ( -8.453 0.000 4.982) 9.812 1.497 ( 1.920 0.000 -3.727) 4.193 1.535 ( 1.289 0.000 -3.951) 4.156 1.666 ( -5.161 0.000 -5.712) 7.698 1.676 ( -9.063 0.000 -5.222) 10.460 1.794 ( -2.571 0.000 4.762) 5.412 1.888 ( 2.870 0.000 -3.890) 4.834 1.952 ( 2.839 0.000 -6.763) 7.335 2.027 ( 2.153 0.000 2.103) 3.010 2.071 ( 6.217 0.000 -1.737) 6.455 2.104 ( 1.375 0.000 -0.621) 1.509 2.128 ( 3.701 0.000 1.136) 3.871 2.165 ( 0.613 0.000 -6.377) 6.407 2.328 ( 0.123 0.000 -0.435) 0.452 2.346 ( 0.057 0.000 0.089) 0.106 2.431 ( 1.316 0.000 0.252) 1.340 2.446 ( 1.741 0.000 0.529) 1.819 2.563 ( 0.348 0.000 5.181) 5.193 2.577 ( 4.677 0.000 6.434) 7.954 2.617 ( 0.910 0.000 5.563) 5.637 2.767 ( 4.496 0.000 10.989) 11.873 2.791 ( 0.450 0.000 1.524) 1.590 2.886 ( 3.618 0.000 -8.672) 9.396 2.916 ( -2.044 0.000 3.794) 4.310 2.954 ( 1.213 0.000 3.664) 3.859 2.966 ( 1.369 0.000 -2.191) 2.583 3.025 ( -1.693 0.000 -1.263) 2.113 3.102 ( -2.621 0.000 5.859) 6.418 3.206 ( 3.874 0.000 3.647) 5.320 3.224 ( -0.046 0.000 -5.182) 5.182 3.376 ( 2.275 0.000 -1.545) 2.750 3.436 ( 2.139 0.000 3.003) 3.687 3.546 ( 0.076 0.000 2.568) 2.570 3.555 ( 1.073 0.000 3.678) 3.831 3.619 ( 3.249 0.000 -0.989) 3.397 3.694 ( 4.990 0.000 0.179) 4.993 3.870 ( 13.952 0.000 -7.655) 15.914 3.884 ( 19.053 0.000 0.083) 19.053 3.927 ( 11.930 0.000 -0.505) 11.941 4.072 ( 4.809 0.000 -1.539) 5.049 4.121 ( 7.235 0.000 -4.506) 8.523 4.178 ( 13.669 0.000 -2.582) 13.910 4.183 ( 7.136 0.000 1.474) 7.287 4.381 ( 6.335 0.000 2.179) 6.700 4.416 ( 6.483 0.000 -0.014) 6.483 4.462 ( -0.370 0.000 0.526) 0.643 4.500 ( 11.133 0.000 -2.154) 11.339 4.610 ( -8.613 0.000 -0.262) 8.617 4.666 ( -6.406 0.000 0.182) 6.409 4.710 ( -9.477 0.000 2.410) 9.779 4.725 ( -9.871 0.000 -0.221) 9.873 4.986 ( -2.222 0.000 -1.158) 2.505 5.012 ( -5.299 0.000 -1.381) 5.476 5.032 ( -6.987 0.000 -0.808) 7.034 5.043 ( -8.350 0.000 -1.391) 8.465 5.306 ( -4.459 0.000 -0.735) 4.519 5.350 ( -2.784 0.000 -2.132) 3.506 5.384 ( -6.936 0.000 -1.568) 7.111 5.460 ( -8.060 0.000 -1.762) 8.250 5.724 ( -0.293 0.000 1.685) 1.710 5.756 ( 0.017 0.000 -0.234) 0.235 5.790 ( 2.931 0.000 2.640) 3.945 5.869 ( -3.503 0.000 1.555) 3.833 7.817 ( -0.010 0.000 2.221) 2.221 7.856 ( -0.921 0.000 3.053) 3.189 7.946 ( 1.551 0.000 -3.926) 4.221 7.997 ( 2.914 0.000 -3.793) 4.783 8.497 ( -1.632 0.000 5.988) 6.207 8.511 ( -1.718 0.000 6.546) 6.768 8.689 ( 3.205 0.000 -1.949) 3.751 8.711 ( 3.722 0.000 -2.101) 4.274 9.083 ( 1.362 0.000 -1.111) 1.757 9.101 ( 1.046 0.000 -1.423) 1.766 9.122 ( -0.484 0.000 -0.500) 0.695 9.134 ( -0.954 0.000 -0.528) 1.091 9.446 ( -2.056 0.000 -1.562) 2.582 9.467 ( -2.063 0.000 -2.065) 2.919 9.547 ( -3.314 0.000 0.724) 3.392 9.656 ( -4.022 0.000 -0.434) 4.046 9.839 ( -1.326 0.000 0.099) 1.329 9.871 ( -1.734 0.000 1.336) 2.189 10.010 ( 0.551 0.000 1.435) 1.537 10.031 ( 1.011 0.000 0.644) 1.198 ======================= Grid point 86 (52/74) ======================= q-point: (-0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -10.332 0.000 9.183) 13.823 1.312 ( -1.602 0.000 7.455) 7.625 1.437 ( -6.126 0.000 -2.892) 6.775 1.442 ( -11.344 0.000 -0.136) 11.345 1.545 ( 2.548 0.000 -2.460) 3.541 1.560 ( -3.170 0.000 2.344) 3.943 1.775 ( -7.770 0.000 8.506) 11.520 1.815 ( -6.357 0.000 -3.411) 7.214 1.936 ( 3.528 0.000 -6.450) 7.352 2.085 ( 2.356 0.000 0.623) 2.437 2.093 ( -3.256 0.000 -1.666) 3.657 2.117 ( 1.862 0.000 -2.210) 2.890 2.134 ( 3.574 0.000 -3.061) 4.706 2.161 ( 1.562 0.000 -2.418) 2.878 2.297 ( -3.415 0.000 -1.452) 3.711 2.342 ( -0.338 0.000 -1.199) 1.246 2.444 ( 0.674 0.000 -1.730) 1.857 2.474 ( 0.665 0.000 0.411) 0.781 2.590 ( -2.561 0.000 3.512) 4.347 2.643 ( 0.655 0.000 0.890) 1.105 2.754 ( 2.405 0.000 7.138) 7.532 2.768 ( -2.947 0.000 -0.167) 2.952 2.843 ( 1.518 0.000 -2.018) 2.525 2.861 ( -5.146 0.000 -0.585) 5.179 2.919 ( 2.843 0.000 -0.613) 2.909 2.926 ( -2.383 0.000 -5.239) 5.755 3.004 ( -2.009 0.000 4.828) 5.230 3.030 ( 1.282 0.000 7.667) 7.773 3.157 ( 0.052 0.000 5.020) 5.020 3.169 ( -0.039 0.000 -1.978) 1.979 3.255 ( -0.814 0.000 2.022) 2.180 3.341 ( -2.936 0.000 -1.561) 3.325 3.457 ( -2.318 0.000 4.059) 4.674 3.569 ( -3.573 0.000 1.104) 3.739 3.570 ( -2.955 0.000 2.694) 3.999 3.604 ( -3.454 0.000 -0.579) 3.502 3.673 ( -9.516 0.000 -0.789) 9.548 3.824 ( -6.222 0.000 -9.532) 11.383 3.901 ( -14.660 0.000 0.451) 14.667 3.935 ( -13.917 0.000 -2.124) 14.078 4.047 ( -13.541 0.000 -1.735) 13.651 4.058 ( -7.105 0.000 1.022) 7.178 4.110 ( -10.973 0.000 -0.277) 10.976 4.203 ( -4.280 0.000 -1.734) 4.618 4.400 ( -14.250 0.000 -0.528) 14.259 4.457 ( -7.016 0.000 1.512) 7.177 4.473 ( 0.553 0.000 -1.224) 1.343 4.522 ( 0.552 0.000 -1.783) 1.867 4.637 ( 13.930 0.000 -0.126) 13.931 4.659 ( 6.531 0.000 2.220) 6.898 4.684 ( 6.885 0.000 2.489) 7.321 4.748 ( 8.889 0.000 -0.462) 8.901 4.975 ( 0.660 0.000 -0.620) 0.905 5.016 ( 4.723 0.000 -1.658) 5.006 5.017 ( 7.050 0.000 -1.372) 7.182 5.038 ( 7.617 0.000 -0.510) 7.634 5.290 ( 4.065 0.000 -0.270) 4.074 5.324 ( 2.687 0.000 -3.067) 4.077 5.362 ( 3.647 0.000 -1.143) 3.822 5.385 ( 6.762 0.000 1.451) 6.916 5.756 ( 2.819 0.000 0.302) 2.835 5.777 ( 1.907 0.000 -0.777) 2.059 5.844 ( -0.307 0.000 0.549) 0.629 5.891 ( 5.715 0.000 1.053) 5.811 7.828 ( -1.317 0.000 2.102) 2.481 7.864 ( -1.398 0.000 2.947) 3.262 7.925 ( 0.508 0.000 -3.563) 3.599 8.003 ( 2.319 0.000 -4.504) 5.066 8.525 ( -2.308 0.000 5.803) 6.245 8.550 ( -1.590 0.000 6.036) 6.242 8.709 ( 2.329 0.000 -3.799) 4.456 8.737 ( 2.664 0.000 -3.973) 4.784 9.093 ( -1.861 0.000 -1.087) 2.155 9.100 ( -1.659 0.000 -1.303) 2.109 9.101 ( 1.339 0.000 0.065) 1.340 9.124 ( 2.105 0.000 -0.091) 2.107 9.413 ( -0.816 0.000 0.227) 0.847 9.419 ( -1.408 0.000 -0.723) 1.583 9.526 ( -1.478 0.000 3.926) 4.195 9.589 ( -2.329 0.000 -0.658) 2.420 9.845 ( 0.803 0.000 1.391) 1.607 9.878 ( 1.704 0.000 0.450) 1.762 10.043 ( 2.266 0.000 -0.127) 2.270 10.068 ( 3.156 0.000 -0.792) 3.254 ======================= Grid point 87 (53/74) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -15.384 0.000 5.761) 16.428 1.184 ( -8.258 0.000 10.916) 13.688 1.313 ( -5.366 0.000 1.904) 5.694 1.445 ( 1.106 0.000 8.390) 8.462 1.534 ( -7.037 0.000 8.889) 11.338 1.579 ( -1.606 0.000 2.663) 3.110 1.651 ( -5.832 0.000 -0.221) 5.836 1.712 ( -10.726 0.000 11.806) 15.951 1.936 ( 2.897 0.000 -6.277) 6.914 2.000 ( -3.833 0.000 -2.857) 4.781 2.085 ( -0.927 0.000 -2.389) 2.563 2.121 ( 0.622 0.000 -2.421) 2.500 2.129 ( -1.891 0.000 -3.560) 4.031 2.145 ( -8.279 0.000 -5.236) 9.796 2.167 ( -2.906 0.000 4.692) 5.519 2.305 ( -2.222 0.000 -1.530) 2.698 2.414 ( -0.916 0.000 -3.451) 3.570 2.469 ( -1.255 0.000 -0.574) 1.380 2.550 ( -4.731 0.000 1.035) 4.843 2.618 ( -3.987 0.000 -1.541) 4.274 2.703 ( -4.228 0.000 -1.394) 4.452 2.764 ( -3.072 0.000 -1.606) 3.467 2.787 ( -1.829 0.000 -0.984) 2.076 2.824 ( -2.296 0.000 -5.351) 5.822 2.881 ( -4.079 0.000 1.454) 4.330 2.894 ( -2.493 0.000 4.557) 5.195 2.991 ( -5.510 0.000 3.911) 6.757 3.059 ( -2.683 0.000 0.188) 2.690 3.148 ( -6.476 0.000 -0.838) 6.530 3.198 ( -2.270 0.000 -0.631) 2.356 3.245 ( -4.773 0.000 -3.456) 5.893 3.283 ( -2.895 0.000 2.777) 4.011 3.309 ( -15.729 0.000 5.777) 16.756 3.340 ( -18.049 0.000 -3.574) 18.399 3.417 ( -15.525 0.000 3.671) 15.953 3.431 ( -18.615 0.000 -1.071) 18.646 3.502 ( -8.121 0.000 -0.257) 8.125 3.547 ( -10.580 0.000 -4.183) 11.377 3.666 ( -7.765 0.000 5.937) 9.775 3.693 ( -2.380 0.000 -0.705) 2.482 3.815 ( -10.547 0.000 -0.564) 10.562 3.841 ( -14.001 0.000 -1.568) 14.088 3.877 ( -16.614 0.000 -2.594) 16.816 4.033 ( -11.873 0.000 0.128) 11.873 4.144 ( -8.548 0.000 5.754) 10.305 4.370 ( -4.551 0.000 -1.385) 4.757 4.396 ( -2.287 0.000 -5.200) 5.681 4.466 ( -4.792 0.000 0.364) 4.806 4.828 ( 9.321 0.000 -1.516) 9.443 4.844 ( 10.467 0.000 -1.143) 10.529 4.925 ( 11.543 0.000 2.482) 11.806 4.963 ( 12.750 0.000 -0.984) 12.788 4.974 ( 0.250 0.000 -0.319) 0.405 5.075 ( 1.740 0.000 -0.431) 1.793 5.095 ( 3.724 0.000 2.099) 4.275 5.131 ( 4.007 0.000 -1.399) 4.244 5.442 ( 10.783 0.000 0.266) 10.787 5.475 ( 13.945 0.000 0.182) 13.946 5.542 ( 13.104 0.000 0.583) 13.117 5.550 ( 7.530 0.000 2.251) 7.859 5.788 ( 1.074 0.000 -1.615) 1.940 5.841 ( 7.417 0.000 -1.396) 7.547 5.862 ( 2.279 0.000 -1.859) 2.941 5.996 ( 5.620 0.000 -1.374) 5.785 7.820 ( -2.026 0.000 2.299) 3.065 7.876 ( -0.523 0.000 2.474) 2.529 7.882 ( -1.498 0.000 -3.219) 3.551 7.970 ( -0.524 0.000 -5.258) 5.284 8.534 ( -3.045 0.000 4.759) 5.650 8.576 ( -1.679 0.000 3.959) 4.300 8.695 ( 1.659 0.000 -5.235) 5.492 8.722 ( 1.616 0.000 -5.585) 5.814 9.036 ( -3.201 0.000 -0.751) 3.287 9.056 ( -1.890 0.000 -0.636) 1.994 9.126 ( 0.969 0.000 0.224) 0.994 9.159 ( 1.830 0.000 -0.414) 1.876 9.409 ( -0.088 0.000 1.582) 1.584 9.420 ( -0.030 0.000 2.448) 2.448 9.570 ( -0.208 0.000 1.550) 1.564 9.594 ( 2.640 0.000 7.490) 7.941 9.889 ( 2.091 0.000 1.711) 2.702 9.940 ( 5.421 0.000 -1.300) 5.575 10.085 ( 3.532 0.000 -1.748) 3.941 10.124 ( 5.072 0.000 -2.569) 5.686 ======================= Grid point 88 (54/74) ======================= q-point: (-0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -11.911 0.000 12.278) 17.106 1.145 ( -9.095 0.000 8.140) 12.206 1.295 ( -4.194 0.000 8.004) 9.037 1.467 ( -8.831 0.000 5.858) 10.598 1.513 ( -6.783 0.000 11.761) 13.577 1.553 ( 1.937 0.000 4.294) 4.710 1.646 ( -11.991 0.000 11.804) 16.827 1.708 ( 2.299 0.000 6.725) 7.107 1.840 ( -5.424 0.000 -4.102) 6.800 1.892 ( -9.124 0.000 -4.134) 10.016 1.960 ( -0.447 0.000 -1.602) 1.663 1.972 ( -10.628 0.000 -4.986) 11.740 2.034 ( -4.744 0.000 0.990) 4.846 2.067 ( -3.973 0.000 -4.522) 6.019 2.163 ( -7.770 0.000 9.250) 12.080 2.219 ( -6.499 0.000 -1.468) 6.663 2.322 ( -5.816 0.000 -4.266) 7.213 2.408 ( -4.426 0.000 -2.891) 5.286 2.435 ( -6.037 0.000 -3.079) 6.777 2.444 ( -11.810 0.000 -1.146) 11.865 2.558 ( -8.658 0.000 -3.119) 9.203 2.690 ( -4.258 0.000 -0.814) 4.335 2.699 ( -11.526 0.000 -0.507) 11.537 2.714 ( -4.715 0.000 -1.680) 5.005 2.761 ( -2.970 0.000 -3.274) 4.421 2.797 ( -17.723 0.000 -2.851) 17.950 2.807 ( -13.674 0.000 0.556) 13.685 2.883 ( -13.441 0.000 -7.079) 15.191 2.940 ( -9.109 0.000 3.857) 9.892 2.999 ( -6.549 0.000 -2.080) 6.871 3.039 ( -9.522 0.000 -5.202) 10.850 3.061 ( -2.639 0.000 6.707) 7.207 3.129 ( -8.807 0.000 -4.923) 10.090 3.284 ( -4.346 0.000 0.624) 4.390 3.285 ( -5.201 0.000 3.871) 6.484 3.332 ( 3.523 0.000 -3.615) 5.048 3.412 ( -2.217 0.000 1.722) 2.808 3.437 ( -3.581 0.000 2.834) 4.567 3.514 ( -12.701 0.000 4.968) 13.638 3.620 ( -10.328 0.000 2.833) 10.710 3.653 ( -6.519 0.000 1.607) 6.715 3.727 ( 1.457 0.000 0.607) 1.578 3.728 ( -0.457 0.000 4.104) 4.130 3.869 ( -3.906 0.000 -2.024) 4.399 4.115 ( -2.680 0.000 4.030) 4.840 4.286 ( -1.910 0.000 -3.054) 3.602 4.305 ( -0.397 0.000 -7.805) 7.815 4.397 ( -2.689 0.000 0.166) 2.694 4.953 ( 4.086 0.000 -1.458) 4.339 4.955 ( 7.391 0.000 -1.870) 7.623 4.994 ( 1.134 0.000 1.786) 2.116 5.087 ( 3.617 0.000 -1.349) 3.861 5.095 ( 4.046 0.000 3.937) 5.646 5.169 ( 7.285 0.000 0.258) 7.290 5.186 ( 2.984 0.000 3.187) 4.366 5.200 ( 4.563 0.000 0.453) 4.585 5.608 ( 6.892 0.000 -0.394) 6.903 5.693 ( 7.504 0.000 -0.023) 7.505 5.711 ( 10.572 0.000 0.118) 10.573 5.737 ( 5.445 0.000 -0.199) 5.448 5.820 ( 6.272 0.000 -0.452) 6.289 5.868 ( 1.782 0.000 -3.298) 3.749 5.962 ( 6.561 0.000 -1.042) 6.643 6.039 ( 1.242 0.000 -3.031) 3.275 7.807 ( -2.139 0.000 2.251) 3.105 7.808 ( -3.068 0.000 -2.126) 3.732 7.872 ( -4.401 0.000 -3.775) 5.798 7.893 ( -0.227 0.000 1.511) 1.528 8.515 ( -3.734 0.000 3.023) 4.804 8.567 ( -2.255 0.000 0.861) 2.414 8.663 ( 1.563 0.000 -5.911) 6.114 8.685 ( 1.353 0.000 -5.986) 6.137 8.983 ( -2.654 0.000 1.631) 3.116 9.028 ( -1.624 0.000 1.498) 2.210 9.136 ( 0.396 0.000 -0.428) 0.584 9.174 ( 0.767 0.000 -1.090) 1.333 9.446 ( 0.859 0.000 3.704) 3.802 9.461 ( 0.600 0.000 4.265) 4.307 9.612 ( 1.545 0.000 3.535) 3.858 9.772 ( 7.736 0.000 6.950) 10.399 9.948 ( 2.223 0.000 1.687) 2.790 10.023 ( 6.490 0.000 -4.380) 7.829 10.135 ( 4.953 0.000 -2.508) 5.551 10.188 ( 6.050 0.000 -4.536) 7.561 ======================= Grid point 89 (55/74) ======================= q-point: (-0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -16.868 0.000 10.596) 19.920 1.032 ( -4.461 0.000 16.676) 17.263 1.254 ( -11.625 0.000 7.294) 13.724 1.431 ( -3.412 0.000 6.504) 7.344 1.477 ( -3.962 0.000 -2.155) 4.510 1.544 ( -6.050 0.000 -4.988) 7.841 1.578 ( -4.257 0.000 7.114) 8.290 1.670 ( -17.408 0.000 0.795) 17.426 1.709 ( -1.866 0.000 -3.698) 4.141 1.771 ( -5.679 0.000 -0.347) 5.689 1.825 ( -4.320 0.000 6.818) 8.072 1.855 ( -7.870 0.000 -2.648) 8.304 1.943 ( -5.995 0.000 4.631) 7.576 1.954 ( -0.184 0.000 3.847) 3.851 2.052 ( -7.889 0.000 -0.240) 7.893 2.061 ( -6.542 0.000 1.021) 6.621 2.201 ( -2.553 0.000 1.180) 2.812 2.286 ( -5.691 0.000 3.744) 6.812 2.297 ( -2.778 0.000 -2.757) 3.914 2.308 ( -4.622 0.000 -1.473) 4.851 2.460 ( -8.415 0.000 -3.393) 9.074 2.465 ( -4.214 0.000 3.384) 5.405 2.520 ( -7.625 0.000 -2.334) 7.975 2.559 ( -6.180 0.000 -4.084) 7.408 2.610 ( -6.312 0.000 1.955) 6.608 2.642 ( -1.640 0.000 -2.001) 2.588 2.680 ( -2.559 0.000 -5.951) 6.478 2.771 ( 0.004 0.000 -4.726) 4.726 2.800 ( -7.021 0.000 -1.237) 7.129 2.868 ( -5.622 0.000 -2.559) 6.177 2.881 ( -4.849 0.000 -0.620) 4.888 2.967 ( -4.246 0.000 -0.110) 4.248 3.131 ( 0.517 0.000 5.155) 5.181 3.170 ( -4.202 0.000 -7.219) 8.353 3.185 ( -4.321 0.000 -1.010) 4.437 3.356 ( 2.200 0.000 -0.773) 2.332 3.407 ( -2.831 0.000 2.675) 3.895 3.447 ( -0.071 0.000 4.272) 4.273 3.473 ( -2.527 0.000 7.208) 7.639 3.544 ( -0.564 0.000 3.207) 3.257 3.622 ( -2.171 0.000 3.953) 4.510 3.754 ( 2.090 0.000 -2.008) 2.899 3.771 ( -0.043 0.000 3.066) 3.066 3.832 ( 0.383 0.000 -1.784) 1.825 4.110 ( -1.403 0.000 1.041) 1.747 4.223 ( 1.518 0.000 -8.977) 9.105 4.239 ( -0.570 0.000 -1.940) 2.022 4.372 ( -0.109 0.000 -0.602) 0.612 4.993 ( 1.225 0.000 0.240) 1.248 5.017 ( 0.638 0.000 -0.263) 0.690 5.071 ( 5.608 0.000 -0.568) 5.637 5.127 ( 2.848 0.000 -1.212) 3.095 5.182 ( 0.897 0.000 4.732) 4.817 5.272 ( 3.663 0.000 2.542) 4.459 5.273 ( 3.187 0.000 0.263) 3.198 5.279 ( 4.511 0.000 -0.573) 4.547 5.686 ( 2.865 0.000 -0.671) 2.942 5.757 ( 0.626 0.000 -2.099) 2.190 5.771 ( 1.078 0.000 -3.046) 3.231 5.792 ( 0.720 0.000 -3.005) 3.090 5.920 ( 5.344 0.000 0.378) 5.357 5.950 ( 5.480 0.000 1.129) 5.595 5.997 ( -1.090 0.000 -0.433) 1.173 6.035 ( 2.254 0.000 -0.026) 2.254 7.755 ( -0.628 0.000 -0.175) 0.652 7.789 ( -2.356 0.000 1.643) 2.872 7.795 ( -0.763 0.000 0.558) 0.945 7.888 ( -1.641 0.000 0.319) 1.672 8.471 ( -3.984 0.000 2.156) 4.530 8.525 ( -2.543 0.000 -0.026) 2.543 8.630 ( 1.971 0.000 -6.101) 6.412 8.650 ( 1.713 0.000 -5.595) 5.851 8.982 ( -0.758 0.000 3.625) 3.703 9.027 ( -1.239 0.000 2.981) 3.228 9.135 ( 0.296 0.000 -0.947) 0.992 9.166 ( 0.126 0.000 -1.562) 1.567 9.512 ( 1.140 0.000 5.100) 5.226 9.526 ( 0.926 0.000 5.010) 5.095 9.678 ( 0.825 0.000 3.692) 3.783 9.933 ( 4.883 0.000 -1.879) 5.232 9.998 ( 1.345 0.000 1.547) 2.050 10.063 ( 3.710 0.000 -4.775) 6.046 10.204 ( 5.125 0.000 -3.511) 6.212 10.229 ( 4.367 0.000 -6.002) 7.423 ======================= Grid point 90 (56/74) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 3.086 4.616 12.547) 13.721 1.118 ( 2.017 -4.513 5.564) 7.443 1.223 ( 1.353 6.069 8.710) 10.702 1.305 ( -3.842 2.197 -3.698) 5.768 1.336 ( 0.524 -4.224 -3.188) 5.318 1.408 ( -3.623 -6.425 7.043) 10.198 1.549 ( -0.738 0.740 -4.732) 4.846 1.575 ( -0.619 -1.205 -1.262) 1.852 1.628 ( -0.210 4.449 0.667) 4.504 1.686 ( 0.158 -1.611 -4.103) 4.411 1.783 ( 0.841 5.043 -2.526) 5.703 1.891 ( -0.262 -3.996 -3.495) 5.315 1.963 ( 3.393 1.902 3.701) 5.369 1.992 ( 4.013 0.787 4.887) 6.372 2.024 ( 1.237 1.456 5.368) 5.697 2.068 ( 1.958 -2.592 5.371) 6.278 2.177 ( -0.351 -1.330 1.089) 1.754 2.239 ( -0.230 -1.795 -1.670) 2.462 2.269 ( -0.177 -0.022 3.291) 3.296 2.328 ( 0.189 -3.871 1.448) 4.137 2.367 ( -0.774 2.678 -0.207) 2.795 2.400 ( -0.563 0.054 -1.226) 1.350 2.420 ( -3.012 1.090 0.129) 3.206 2.424 ( -2.737 0.821 -2.718) 3.943 2.504 ( 0.671 -1.214 -1.859) 2.319 2.564 ( -0.878 -5.311 -2.118) 5.785 2.687 ( -0.675 5.556 -2.358) 6.073 2.726 ( -0.663 2.976 -4.547) 5.475 2.758 ( -0.175 4.153 -0.729) 4.220 2.805 ( 0.191 -2.557 1.025) 2.761 2.849 ( -2.367 1.893 3.133) 4.358 2.921 ( -2.723 -3.760 2.638) 5.340 3.019 ( 0.053 -0.954 -2.330) 2.518 3.050 ( -0.676 -4.385 2.422) 5.054 3.253 ( 0.039 4.847 0.132) 4.849 3.336 ( 0.066 -2.927 -2.075) 3.588 3.437 ( -0.678 2.215 4.483) 5.046 3.481 ( -0.256 -1.753 3.328) 3.770 3.541 ( -0.273 2.388 4.582) 5.174 3.580 ( 1.117 -1.635 2.769) 3.404 3.675 ( 0.372 2.956 -0.272) 2.991 3.723 ( -0.073 -2.416 -0.852) 2.563 3.804 ( 0.408 1.672 -2.693) 3.196 3.823 ( 1.324 0.016 -2.976) 3.257 4.072 ( -2.111 1.932 -0.171) 2.867 4.143 ( -1.103 -4.142 -1.487) 4.537 4.263 ( 1.785 4.219 -2.814) 5.376 4.340 ( 1.685 -3.412 -2.747) 4.693 5.004 ( -0.877 0.378 0.015) 0.955 5.007 ( -1.244 0.198 -0.029) 1.260 5.122 ( 0.441 0.002 0.065) 0.446 5.132 ( 0.247 -1.165 -0.051) 1.192 5.259 ( -0.049 2.558 1.958) 3.222 5.303 ( 0.391 -1.795 0.126) 1.842 5.315 ( 1.124 0.556 -0.262) 1.281 5.327 ( 0.854 -0.580 -0.548) 1.169 5.704 ( -0.441 0.385 -0.322) 0.668 5.715 ( -0.949 -0.625 -0.328) 1.183 5.743 ( -0.311 0.776 -2.193) 2.347 5.758 ( -0.244 -0.729 -2.466) 2.583 5.995 ( 1.674 0.500 0.456) 1.805 6.004 ( 1.540 -0.414 0.060) 1.596 6.030 ( 0.039 0.668 0.616) 0.910 6.043 ( -0.680 -0.596 0.109) 0.911 7.779 ( -2.350 1.810 0.664) 3.040 7.800 ( 2.547 0.481 0.240) 2.603 7.830 ( -0.992 -1.019 -0.293) 1.452 7.839 ( 4.851 -1.172 0.022) 4.990 8.443 ( -3.101 1.332 2.489) 4.194 8.472 ( -2.574 -1.451 1.716) 3.417 8.612 ( 2.370 0.599 -5.624) 6.133 8.623 ( 2.194 -0.466 -5.280) 5.737 9.026 ( 0.274 0.455 3.596) 3.635 9.037 ( -0.244 -0.619 3.377) 3.442 9.135 ( 0.275 0.653 -1.639) 1.786 9.146 ( 0.245 -0.463 -1.887) 1.958 9.585 ( 0.596 -0.012 4.948) 4.984 9.587 ( 0.420 -0.236 4.544) 4.569 9.748 ( -1.703 4.084 2.300) 4.987 9.842 ( -1.499 -5.444 -0.857) 5.712 10.057 ( 0.315 1.471 -2.776) 3.158 10.063 ( 0.080 0.479 -3.085) 3.123 10.195 ( -1.213 0.364 -3.636) 3.850 10.207 ( -0.033 -0.694 -4.539) 4.591 ======================= Grid point 91 (57/74) ======================= q-point: ( 0.11 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 5.925 2.771 -3.792) 7.561 1.287 ( 10.834 -2.752 -2.522) 11.459 1.359 ( 7.826 2.997 6.273) 10.468 1.419 ( 11.469 -2.559 0.316) 11.755 1.454 ( 14.416 3.838 10.123) 18.028 1.525 ( 8.674 -3.429 4.932) 10.551 1.616 ( 10.267 -0.930 -4.083) 11.089 1.635 ( 5.122 -2.412 -1.054) 5.759 1.703 ( 8.348 0.262 2.294) 8.661 1.715 ( 5.167 0.065 -0.626) 5.205 1.820 ( 6.677 3.784 -1.963) 7.921 1.877 ( 6.162 0.648 -6.363) 8.881 2.061 ( 1.514 1.735 -1.121) 2.561 2.094 ( 5.582 1.986 4.131) 7.223 2.131 ( 2.378 -2.488 0.376) 3.462 2.145 ( 3.783 -2.063 1.492) 4.560 2.211 ( 4.277 -0.902 -1.832) 4.740 2.234 ( 2.402 1.419 -3.619) 4.569 2.268 ( 0.078 -0.776 -1.290) 1.507 2.311 ( 5.827 -4.696 -1.176) 7.576 2.382 ( 2.454 0.574 1.031) 2.723 2.409 ( 4.157 -0.870 -1.801) 4.613 2.489 ( 4.248 3.480 6.897) 8.816 2.505 ( 4.501 0.270 5.322) 6.976 2.536 ( 5.176 0.425 0.149) 5.196 2.578 ( 2.390 -3.093 -3.713) 5.391 2.664 ( 3.082 1.529 -1.935) 3.947 2.711 ( 4.709 -1.052 -2.932) 5.646 2.782 ( 1.647 4.871 3.686) 6.326 2.846 ( 3.244 1.231 -0.597) 3.520 2.882 ( 3.146 0.506 4.546) 5.552 2.928 ( 2.570 -4.525 0.435) 5.222 3.048 ( 3.157 2.220 1.793) 4.256 3.116 ( 3.997 -4.873 1.859) 6.571 3.293 ( 2.899 3.845 3.013) 5.680 3.339 ( 3.721 0.034 -3.402) 5.042 3.461 ( -2.499 -0.358 6.206) 6.700 3.493 ( -2.477 -2.340 3.879) 5.163 3.586 ( 0.963 2.717 2.522) 3.831 3.618 ( 2.648 -1.021 -1.810) 3.366 3.660 ( -0.558 1.612 -1.902) 2.555 3.708 ( -0.207 -3.017 -0.072) 3.025 3.772 ( 1.099 2.397 -4.733) 5.418 3.815 ( 1.917 -1.660 -3.046) 3.964 4.063 ( 0.420 3.850 2.056) 4.384 4.134 ( 1.961 -2.761 -1.329) 3.638 4.277 ( 1.680 3.297 -0.437) 3.726 4.349 ( 2.730 -3.575 -3.131) 5.480 4.974 ( -2.887 0.426 0.839) 3.036 4.980 ( -2.768 -0.186 0.504) 2.819 5.097 ( -2.606 0.100 -0.034) 2.608 5.105 ( -2.166 -0.694 -0.986) 2.479 5.255 ( -1.671 1.462 0.771) 2.350 5.280 ( -2.105 -1.047 -0.430) 2.390 5.311 ( -1.602 0.426 -0.343) 1.693 5.319 ( -0.924 -0.408 -0.351) 1.070 5.682 ( -2.470 0.449 1.265) 2.811 5.690 ( -2.447 -0.385 0.476) 2.523 5.709 ( -1.917 0.639 -1.223) 2.362 5.723 ( -1.953 -0.779 -1.676) 2.689 5.977 ( -3.400 0.245 -1.833) 3.870 5.985 ( -3.703 -0.511 -1.446) 4.008 6.007 ( -2.196 0.598 0.601) 2.354 6.016 ( -2.671 -0.328 1.030) 2.881 7.752 ( -1.136 1.425 0.554) 1.905 7.782 ( -1.570 -1.499 0.374) 2.202 7.885 ( 5.036 1.808 -2.033) 5.724 7.922 ( 4.932 -1.747 -1.971) 5.591 8.428 ( -2.369 1.230 3.774) 4.622 8.454 ( -2.322 -1.338 3.148) 4.134 8.603 ( 2.726 0.566 -4.644) 5.415 8.612 ( 2.465 -0.388 -4.432) 5.086 9.070 ( 0.758 0.218 2.582) 2.700 9.075 ( 0.741 -0.305 2.753) 2.867 9.121 ( 0.433 0.561 -2.148) 2.262 9.131 ( 0.533 -0.436 -2.154) 2.262 9.619 ( -1.280 0.099 2.113) 2.473 9.622 ( -1.176 -0.148 1.749) 2.113 9.731 ( -2.948 2.347 3.842) 5.381 9.784 ( -3.333 -2.827 -0.565) 4.407 10.014 ( -2.658 0.476 -1.216) 2.961 10.023 ( -2.099 -0.245 -0.825) 2.269 10.116 ( -3.929 1.465 -1.018) 4.316 10.144 ( -3.021 -1.189 -2.058) 3.844 ======================= Grid point 92 (58/74) ======================= q-point: ( 0.22 0.33 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 2.969 2.977 -3.410) 5.413 1.346 ( 2.546 -4.840 -5.015) 7.420 1.607 ( 6.357 0.805 -3.152) 7.141 1.623 ( 12.561 -0.452 -0.911) 12.602 1.638 ( 5.849 2.522 2.276) 6.764 1.675 ( 7.313 -2.199 -0.623) 7.662 1.688 ( 3.150 3.396 -1.174) 4.778 1.777 ( 4.202 -3.353 3.560) 6.447 1.896 ( 6.594 2.348 -1.888) 7.250 1.910 ( 7.293 0.831 -3.788) 8.260 1.931 ( 7.628 0.308 0.852) 7.681 1.951 ( 6.621 0.602 0.396) 6.660 2.077 ( 1.037 0.603 -1.332) 1.792 2.138 ( 1.183 -5.467 -3.041) 6.367 2.221 ( 10.457 3.650 -1.756) 11.214 2.247 ( 4.645 0.053 -1.178) 4.793 2.277 ( 4.007 -2.768 1.779) 5.185 2.289 ( 6.546 -2.684 4.772) 8.534 2.350 ( 6.239 4.862 2.425) 8.274 2.412 ( 3.892 1.475 0.089) 4.163 2.448 ( 1.658 -0.509 1.838) 2.527 2.496 ( 0.342 -6.214 -3.183) 6.990 2.598 ( 13.908 1.189 0.357) 13.963 2.626 ( 6.994 1.041 2.457) 7.486 2.680 ( 9.147 0.613 4.470) 10.199 2.705 ( 6.601 -1.149 5.553) 8.702 2.809 ( 5.408 3.662 3.632) 7.473 2.847 ( 16.059 1.061 1.502) 16.164 2.920 ( 9.305 0.960 2.545) 9.695 2.950 ( 10.240 -0.029 -1.351) 10.328 3.024 ( 7.357 -0.728 1.529) 7.549 3.030 ( 8.056 -2.865 -0.394) 8.559 3.146 ( 10.036 1.989 -3.403) 10.782 3.195 ( 7.404 -2.778 -5.420) 9.587 3.400 ( 3.417 0.971 0.815) 3.644 3.410 ( 5.351 0.740 1.008) 5.495 3.491 ( -0.734 -1.409 6.045) 6.250 3.497 ( -0.983 -1.651 4.501) 4.894 3.609 ( 4.063 1.429 -2.860) 5.170 3.636 ( 5.408 -1.585 -6.404) 8.531 3.672 ( 1.936 4.695 2.978) 5.887 3.762 ( 6.288 -2.853 1.394) 7.044 3.781 ( 6.113 2.309 -3.160) 7.258 3.849 ( 4.521 -3.877 -0.874) 6.019 4.129 ( 4.139 4.103 2.096) 6.194 4.186 ( 5.404 -0.646 -1.025) 5.538 4.309 ( 1.942 2.057 0.215) 2.837 4.367 ( 3.841 -2.952 -4.500) 6.612 4.903 ( -6.006 0.001 0.308) 6.014 4.906 ( -5.917 -0.252 0.360) 5.934 5.048 ( -3.738 0.248 0.595) 3.794 5.053 ( -3.157 -0.247 -0.602) 3.223 5.211 ( -3.537 -0.042 -1.110) 3.708 5.213 ( -4.398 -0.290 -1.713) 4.729 5.255 ( -3.612 1.336 -0.949) 3.966 5.279 ( -2.755 -1.125 -0.879) 3.103 5.619 ( -6.694 0.423 -0.755) 6.749 5.627 ( -6.911 -0.382 0.653) 6.952 5.654 ( -4.061 0.268 3.257) 5.213 5.658 ( -3.996 -0.054 2.193) 4.559 5.854 ( -7.381 0.124 -2.207) 7.705 5.859 ( -6.886 -0.356 -2.274) 7.261 5.953 ( -5.359 0.780 0.576) 5.446 5.968 ( -3.206 -0.750 0.460) 3.325 7.757 ( 0.654 1.106 1.272) 1.808 7.781 ( 0.430 -1.162 1.349) 1.832 7.938 ( 3.988 1.404 -3.230) 5.320 7.966 ( 3.146 -1.338 -2.981) 4.536 8.437 ( -1.852 0.834 4.911) 5.315 8.455 ( -2.115 -0.930 4.469) 5.031 8.614 ( 3.129 0.449 -2.999) 4.358 8.621 ( 3.062 -0.307 -2.981) 4.284 9.099 ( 0.607 0.277 -2.110) 2.213 9.103 ( 0.766 -0.088 0.182) 0.793 9.120 ( 0.811 0.028 1.175) 1.428 9.122 ( 0.725 -0.183 -1.121) 1.347 9.581 ( -2.858 -0.153 -1.314) 3.150 9.582 ( -2.624 -0.296 -1.595) 3.085 9.724 ( -3.714 0.777 1.007) 3.926 9.730 ( -3.224 0.197 4.807) 5.792 9.951 ( -3.844 0.014 0.577) 3.887 9.966 ( -3.117 -1.504 -1.292) 3.694 10.047 ( -3.584 1.370 0.844) 3.928 10.065 ( -4.152 -0.439 0.169) 4.178 ======================= Grid point 93 (59/74) ======================= q-point: ( 0.33 0.33 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.259 1.547 -1.402) 2.104 1.326 ( -0.061 -4.440 -1.887) 4.825 1.571 ( 0.685 3.337 -6.727) 7.541 1.653 ( 0.708 -4.272 -5.995) 7.395 1.673 ( 1.680 6.134 -4.532) 7.809 1.773 ( 0.664 -3.522 -2.686) 4.479 1.877 ( 4.425 3.854 -3.060) 6.618 1.915 ( 6.614 -0.349 2.918) 7.238 1.924 ( 5.329 1.944 -0.611) 5.705 1.954 ( 6.211 -1.193 -1.855) 6.591 2.003 ( 1.309 0.428 -0.013) 1.377 2.005 ( 0.215 1.826 -2.680) 3.250 2.066 ( 2.058 0.446 1.314) 2.483 2.140 ( -0.319 -5.999 0.073) 6.008 2.309 ( 2.014 0.593 -0.834) 2.259 2.329 ( 2.721 -2.201 2.094) 4.079 2.340 ( 2.561 0.313 -1.889) 3.198 2.382 ( 1.188 -2.985 -3.649) 4.862 2.479 ( 3.435 2.764 3.022) 5.345 2.510 ( 4.292 2.462 5.689) 7.540 2.535 ( 3.321 -2.556 5.150) 6.640 2.550 ( 4.187 -1.227 8.918) 9.928 2.782 ( 3.981 4.985 5.387) 8.350 2.835 ( 7.199 -0.859 2.158) 7.564 2.861 ( 4.078 0.227 4.153) 5.824 2.881 ( 5.121 -0.472 1.643) 5.399 2.943 ( 5.285 0.645 1.371) 5.498 2.987 ( 0.811 -2.299 1.254) 2.742 3.084 ( 7.367 4.094 0.097) 8.429 3.138 ( 3.889 -0.055 -0.214) 3.895 3.179 ( 10.459 0.401 -0.367) 10.473 3.220 ( 8.574 -3.482 -4.295) 10.202 3.336 ( 15.877 2.896 -2.179) 16.286 3.387 ( 17.126 -2.539 -1.505) 17.378 3.448 ( 6.970 -0.013 -1.165) 7.067 3.485 ( 5.990 -3.494 -1.209) 7.039 3.590 ( 5.647 0.450 5.112) 7.630 3.599 ( 8.143 -0.502 3.324) 8.810 3.675 ( 6.259 3.262 -3.935) 8.081 3.717 ( 9.728 -1.228 -3.339) 10.359 3.859 ( 14.573 3.795 2.535) 15.271 3.925 ( 13.653 2.658 -0.840) 13.935 3.953 ( 10.317 -4.587 -1.269) 11.361 3.986 ( 13.885 -3.321 -0.687) 14.293 4.240 ( 6.412 3.996 0.984) 7.619 4.305 ( 8.987 0.841 -1.471) 9.146 4.355 ( 3.531 -0.173 -0.107) 3.537 4.403 ( 5.578 -1.934 -3.167) 6.699 4.779 ( -8.325 0.195 0.495) 8.342 4.783 ( -8.247 -0.215 0.665) 8.276 4.926 ( -11.110 0.608 0.363) 11.132 4.940 ( -10.045 -0.747 -0.241) 10.076 5.092 ( -5.586 0.985 -2.907) 6.373 5.116 ( -4.936 -1.412 -2.466) 5.695 5.170 ( -4.697 1.331 -1.549) 5.122 5.198 ( -5.436 -1.340 -1.591) 5.820 5.462 ( -9.775 0.482 0.454) 9.797 5.472 ( -10.759 -0.274 0.892) 10.800 5.572 ( -9.395 0.639 1.157) 9.487 5.585 ( -6.854 -0.664 0.661) 6.917 5.737 ( -2.771 0.264 0.259) 2.796 5.748 ( -2.011 -0.715 -0.100) 2.137 5.851 ( -5.764 2.875 0.403) 6.453 5.903 ( -4.617 -2.317 0.998) 5.261 7.793 ( 0.966 0.993 2.145) 2.554 7.815 ( 0.723 -1.137 2.416) 2.767 7.961 ( 2.770 0.973 -3.781) 4.786 7.979 ( 2.370 -0.850 -3.355) 4.195 8.464 ( -1.553 0.455 5.784) 6.006 8.474 ( -1.853 -0.495 5.686) 6.000 8.650 ( 3.556 0.439 -1.611) 3.928 8.658 ( 3.717 -0.340 -1.765) 4.129 9.085 ( 0.820 0.460 -2.387) 2.565 9.097 ( 0.603 -0.825 -2.203) 2.429 9.134 ( 0.366 0.573 0.217) 0.714 9.140 ( 0.180 -0.179 0.557) 0.612 9.509 ( -2.826 -0.158 -2.151) 3.555 9.515 ( -2.613 -0.814 -1.882) 3.321 9.656 ( -4.064 3.060 -0.551) 5.117 9.704 ( -4.171 -1.623 2.025) 4.913 9.889 ( -3.298 -0.320 -0.650) 3.377 9.897 ( -3.479 -0.845 1.131) 3.755 10.010 ( -1.744 0.892 1.516) 2.477 10.021 ( -1.680 -0.240 1.429) 2.218 ======================= Grid point 94 (60/74) ======================= q-point: (-0.56 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -0.907 0.802 2.795) 3.046 1.303 ( -4.043 -2.843 3.855) 6.268 1.512 ( -1.148 2.257 -3.652) 4.444 1.563 ( -4.225 -1.639 -3.512) 5.733 1.630 ( -1.199 1.827 -5.548) 5.963 1.678 ( -5.180 -1.641 -5.266) 7.567 1.878 ( -4.528 6.197 2.226) 7.991 1.906 ( 2.751 1.666 -4.276) 5.350 1.943 ( 3.041 -0.559 -5.978) 6.731 1.996 ( -1.586 -3.342 3.047) 4.792 2.089 ( 4.978 1.812 -1.840) 5.608 2.106 ( 2.628 0.260 0.495) 2.686 2.117 ( 3.447 -0.884 1.144) 3.737 2.138 ( 2.794 -2.873 -4.371) 5.930 2.315 ( 0.495 -0.710 -0.859) 1.220 2.323 ( 0.207 -1.685 -0.127) 1.703 2.414 ( 1.896 -0.527 2.604) 3.264 2.423 ( 2.719 -1.324 1.501) 3.376 2.558 ( 2.005 1.211 3.410) 4.137 2.585 ( 1.701 -1.200 2.211) 3.037 2.657 ( 1.583 3.542 7.140) 8.126 2.724 ( 3.138 -3.426 8.127) 9.361 2.854 ( 0.294 4.246 0.532) 4.289 2.887 ( 2.349 0.162 -7.094) 7.474 2.921 ( 1.233 -0.375 -1.040) 1.656 2.938 ( 1.619 -1.636 2.474) 3.379 2.975 ( -0.456 2.489 4.528) 5.187 3.028 ( -0.992 -1.690 5.067) 5.433 3.119 ( -2.350 2.708 0.362) 3.603 3.180 ( -0.430 -2.909 -1.287) 3.210 3.243 ( 2.562 2.257 0.243) 3.423 3.304 ( 1.507 -4.239 0.604) 4.539 3.504 ( 4.298 3.882 1.459) 5.973 3.545 ( 0.873 -0.428 3.031) 3.183 3.559 ( 0.874 0.474 3.090) 3.246 3.589 ( 3.740 -2.636 -0.348) 4.589 3.734 ( 6.004 4.119 -2.249) 7.620 3.822 ( 10.164 -4.460 -5.508) 12.391 3.897 ( 17.014 1.112 -0.757) 17.067 3.918 ( 14.536 -0.851 0.316) 14.564 4.082 ( 6.179 1.096 -2.911) 6.917 4.107 ( 7.286 -1.298 -4.006) 8.415 4.180 ( 11.309 1.059 0.213) 11.361 4.199 ( 9.353 -0.178 -0.177) 9.357 4.392 ( 7.338 1.970 0.785) 7.639 4.427 ( 4.146 -0.133 -1.755) 4.505 4.460 ( 2.266 -0.095 1.442) 2.688 4.476 ( 8.234 -1.835 -0.225) 8.439 4.621 ( -8.029 1.162 -0.284) 8.117 4.649 ( -6.984 -1.561 -0.212) 7.160 4.720 ( -9.410 1.047 1.359) 9.565 4.732 ( -9.164 0.112 0.461) 9.176 4.979 ( -3.277 -0.272 -1.318) 3.543 4.990 ( -4.643 -1.471 -1.577) 5.120 5.042 ( -6.910 0.931 -0.858) 7.025 5.052 ( -7.492 0.049 -1.153) 7.580 5.312 ( -4.441 0.732 -0.881) 4.587 5.332 ( -4.029 -1.279 -1.438) 4.465 5.408 ( -6.357 1.888 -1.913) 6.902 5.443 ( -7.223 -1.615 -1.857) 7.631 5.741 ( 1.098 1.551 1.389) 2.354 5.767 ( 1.391 -0.524 0.630) 1.614 5.794 ( -0.526 1.926 2.106) 2.902 5.844 ( -3.091 -2.465 1.565) 4.252 7.825 ( -0.207 0.822 2.309) 2.459 7.844 ( -0.641 -1.028 2.642) 2.906 7.960 ( 1.830 1.325 -3.671) 4.310 7.986 ( 2.533 -1.156 -3.686) 4.620 8.500 ( -1.662 0.337 6.115) 6.346 8.507 ( -1.706 -0.378 6.393) 6.627 8.696 ( 3.352 0.562 -2.004) 3.945 8.706 ( 3.609 -0.462 -2.080) 4.191 9.083 ( 1.109 0.099 -1.209) 1.644 9.090 ( 0.854 -0.677 -1.326) 1.716 9.132 ( -0.355 0.522 -0.556) 0.841 9.136 ( -0.667 0.040 -0.531) 0.853 9.445 ( -2.064 0.155 -1.287) 2.437 9.455 ( -2.130 -0.855 -1.058) 2.527 9.580 ( -3.375 2.881 -0.588) 4.477 9.633 ( -3.795 -2.353 -0.890) 4.553 9.847 ( -1.373 0.805 0.869) 1.814 9.864 ( -1.659 -0.765 1.392) 2.296 10.016 ( 0.626 0.575 1.083) 1.377 10.027 ( 0.836 -0.463 0.730) 1.203 ======================= Grid point 95 (61/74) ======================= q-point: (-0.44 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -8.292 1.710 8.522) 12.013 1.294 ( -3.360 -1.841 7.365) 8.302 1.425 ( -9.034 0.493 0.457) 9.059 1.449 ( -6.079 -1.116 1.827) 6.445 1.531 ( -1.700 0.017 -4.106) 4.444 1.547 ( -3.640 -1.207 -2.163) 4.403 1.818 ( -7.301 3.646 4.410) 9.277 1.851 ( -6.495 1.515 1.938) 6.945 1.939 ( 4.204 1.404 -6.528) 7.890 2.014 ( 2.095 -5.179 -1.154) 5.704 2.099 ( -2.119 0.777 -0.610) 2.338 2.114 ( 0.271 -0.509 -1.930) 2.015 2.167 ( 4.255 1.359 -3.041) 5.404 2.173 ( 2.889 0.627 -1.092) 3.152 2.296 ( -2.440 0.404 -0.638) 2.554 2.322 ( -0.513 -2.060 -0.912) 2.311 2.450 ( 0.483 1.083 -0.121) 1.192 2.471 ( 1.319 -0.673 0.387) 1.530 2.597 ( -1.985 0.792 2.644) 3.400 2.619 ( -0.486 -1.649 0.836) 1.912 2.709 ( -0.099 0.039 -0.438) 0.450 2.761 ( -0.958 -4.690 -3.574) 5.974 2.867 ( -1.594 3.519 4.282) 5.768 2.876 ( -0.448 1.301 -0.394) 1.431 2.912 ( 0.807 0.757 -0.800) 1.366 2.962 ( -2.105 -1.737 3.445) 4.395 3.008 ( -1.922 2.739 -1.142) 3.535 3.041 ( -0.050 0.309 4.356) 4.367 3.145 ( -0.074 -0.883 4.494) 4.581 3.152 ( 0.457 -1.319 1.871) 2.334 3.263 ( -1.193 0.973 1.681) 2.279 3.296 ( -2.223 -2.664 1.111) 3.643 3.522 ( -3.078 4.018 2.110) 5.483 3.567 ( -3.367 -0.789 3.340) 4.808 3.574 ( -1.414 0.463 0.821) 1.699 3.589 ( -3.245 -0.867 -1.510) 3.683 3.692 ( -10.677 2.422 -2.251) 11.177 3.768 ( -8.328 -4.811 -5.528) 11.093 3.910 ( -13.902 0.715 -1.637) 14.017 3.925 ( -13.831 -0.854 -2.065) 14.010 4.069 ( -10.529 1.345 -1.411) 10.708 4.073 ( -7.172 0.872 -0.159) 7.227 4.142 ( -9.866 2.925 -1.226) 10.363 4.190 ( -6.497 -1.626 -2.000) 6.989 4.379 ( -9.489 -0.741 1.115) 9.583 4.403 ( -5.280 -2.986 1.542) 6.259 4.517 ( -4.831 2.419 -0.984) 5.491 4.540 ( -5.300 0.523 -1.819) 5.628 4.636 ( 12.529 0.172 0.111) 12.530 4.649 ( 10.089 -0.774 1.316) 10.204 4.696 ( 8.892 1.145 1.885) 9.162 4.726 ( 9.342 -1.872 0.414) 9.537 4.984 ( 1.781 0.829 -1.227) 2.316 5.002 ( 3.630 -1.009 -1.955) 4.245 5.025 ( 7.009 0.479 -0.742) 7.064 5.034 ( 7.110 -0.393 -0.419) 7.133 5.302 ( 4.508 1.124 -0.818) 4.718 5.321 ( 4.059 -0.615 -2.275) 4.694 5.364 ( 3.833 0.455 -0.591) 3.905 5.377 ( 5.511 -0.735 0.437) 5.577 5.765 ( 0.859 1.290 0.294) 1.577 5.789 ( 0.921 -0.275 -0.196) 0.981 5.844 ( 2.721 0.870 0.539) 2.907 5.875 ( 5.309 -1.653 0.719) 5.606 7.834 ( -1.394 0.628 2.144) 2.633 7.850 ( -1.448 -1.054 2.354) 2.958 7.949 ( 1.017 2.037 -3.384) 4.079 7.986 ( 1.910 -1.636 -4.066) 4.780 8.530 ( -2.178 0.558 5.854) 6.271 8.543 ( -1.826 -0.680 5.967) 6.278 8.717 ( 2.441 0.741 -3.869) 4.634 8.731 ( 2.605 -0.624 -3.959) 4.780 9.084 ( -0.923 -0.305 -0.740) 1.222 9.088 ( -0.882 -0.572 -0.924) 1.400 9.119 ( 0.534 0.818 -0.447) 1.075 9.126 ( 1.269 -0.007 -0.388) 1.327 9.414 ( -0.976 0.360 0.569) 1.186 9.421 ( -1.099 -0.171 0.209) 1.131 9.538 ( -1.742 1.392 2.015) 3.005 9.571 ( -2.135 -1.761 -0.163) 2.772 9.856 ( 1.012 0.976 1.366) 1.960 9.873 ( 1.440 -0.649 0.883) 1.809 10.049 ( 2.492 0.583 -0.389) 2.589 10.062 ( 2.934 -0.648 -0.711) 3.087 ======================= Grid point 96 (62/74) ======================= q-point: (-0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -8.344 2.340 7.505) 11.465 1.225 ( -12.287 3.896 6.626) 14.493 1.273 ( -7.171 -2.115 5.957) 9.559 1.379 ( -10.462 -9.107 8.189) 16.107 1.501 ( 1.274 3.152 4.129) 5.349 1.560 ( 1.783 -2.586 4.055) 5.129 1.705 ( -9.117 4.204 3.934) 10.783 1.759 ( -10.050 0.216 8.044) 12.875 1.944 ( 2.838 2.442 -5.543) 6.689 1.996 ( -2.264 -1.177 -4.385) 5.073 2.055 ( -3.120 -1.422 -1.667) 3.813 2.066 ( -2.451 -2.837 0.060) 3.750 2.178 ( 0.417 3.854 -2.879) 4.829 2.204 ( 0.205 1.583 0.090) 1.599 2.207 ( -5.629 4.080 -1.144) 7.045 2.283 ( -1.572 -2.989 -2.541) 4.227 2.419 ( -2.675 2.001 -2.261) 4.034 2.469 ( -1.188 -1.875 -2.119) 3.069 2.541 ( -5.147 0.741 -0.149) 5.202 2.574 ( -4.860 -2.418 0.639) 5.466 2.688 ( -1.771 -3.259 -0.067) 3.709 2.697 ( -1.771 -4.544 -3.854) 6.216 2.789 ( -5.109 4.758 -1.590) 7.160 2.864 ( -4.768 -2.763 -0.519) 5.535 2.887 ( -4.578 3.281 -1.124) 5.743 2.928 ( -4.284 0.511 3.092) 5.308 2.983 ( -2.679 1.085 1.999) 3.515 3.030 ( -2.880 -2.410 0.716) 3.823 3.150 ( -7.732 0.575 0.322) 7.760 3.177 ( -5.234 -1.847 1.023) 5.644 3.265 ( -1.003 1.425 1.491) 2.293 3.283 ( -1.545 -0.349 4.034) 4.333 3.342 ( -16.979 1.841 -0.099) 17.079 3.353 ( -15.669 0.950 -3.243) 16.029 3.401 ( -18.143 -1.482 -0.600) 18.213 3.420 ( -20.561 -2.571 -1.191) 20.756 3.476 ( -7.153 3.306 0.556) 7.899 3.553 ( -7.921 -2.213 -3.092) 8.787 3.672 ( -5.840 0.665 3.249) 6.716 3.692 ( -4.192 -0.834 1.444) 4.512 3.829 ( -11.868 1.672 -0.574) 11.999 3.860 ( -12.953 -1.127 -2.702) 13.280 3.897 ( -16.034 4.579 -0.029) 16.675 3.986 ( -12.967 -4.168 0.534) 13.630 4.216 ( -7.164 6.298 4.267) 10.449 4.331 ( -5.239 -4.671 1.016) 7.092 4.405 ( -2.855 0.924 -4.291) 5.236 4.432 ( -4.130 -2.222 -1.973) 5.088 4.839 ( 9.792 0.842 -1.819) 9.995 4.847 ( 10.122 0.108 -1.347) 10.212 4.927 ( 10.546 0.267 1.750) 10.693 4.940 ( 9.301 -1.147 0.020) 9.371 5.005 ( 4.050 2.130 -0.213) 4.581 5.047 ( 3.167 -2.181 0.177) 3.849 5.109 ( 3.353 0.862 0.598) 3.513 5.124 ( 3.779 -0.672 -0.692) 3.900 5.458 ( 10.808 1.243 0.170) 10.880 5.474 ( 12.667 -0.345 0.126) 12.672 5.541 ( 11.819 0.111 1.067) 11.868 5.548 ( 10.434 -0.382 1.663) 10.572 5.785 ( 1.671 0.240 -1.425) 2.209 5.806 ( 2.581 -1.788 -1.247) 3.379 5.918 ( 5.583 3.549 -1.790) 6.853 5.974 ( 5.710 -2.252 -1.547) 6.329 7.826 ( -1.855 0.694 2.077) 2.870 7.846 ( -1.406 -1.414 1.379) 2.424 7.920 ( -0.735 2.212 -2.650) 3.530 7.956 ( -0.553 -1.492 -4.461) 4.736 8.543 ( -2.810 0.871 4.614) 5.472 8.563 ( -2.147 -1.163 4.216) 4.872 8.703 ( 1.673 0.733 -5.339) 5.643 8.717 ( 1.646 -0.596 -5.521) 5.792 9.037 ( -2.814 0.219 -0.658) 2.898 9.046 ( -2.183 -0.724 -0.619) 2.382 9.140 ( 1.267 1.063 -0.022) 1.654 9.155 ( 1.673 -0.466 -0.319) 1.766 9.418 ( -0.087 0.684 1.762) 1.892 9.424 ( -0.057 0.154 2.227) 2.233 9.567 ( 0.363 -0.072 2.764) 2.789 9.578 ( 1.749 -1.204 5.888) 6.259 9.908 ( 3.214 1.601 1.225) 3.794 9.933 ( 4.815 -0.824 -0.338) 4.896 10.093 ( 3.861 0.854 -2.048) 4.454 10.113 ( 4.660 -1.073 -2.436) 5.366 ======================= Grid point 97 (63/74) ======================= q-point: (-0.22 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -11.222 5.601 10.428) 16.311 1.165 ( -7.763 -0.191 6.592) 10.186 1.255 ( -6.764 -2.677 10.898) 13.103 1.311 ( -6.495 -7.736 10.787) 14.778 1.587 ( -8.867 3.574 7.085) 11.899 1.600 ( 1.557 4.143 6.443) 7.817 1.644 ( -10.989 -1.937 5.506) 12.443 1.675 ( 1.982 -3.303 6.342) 7.420 1.868 ( -5.703 0.082 -1.838) 5.993 1.881 ( -7.070 -0.904 -2.698) 7.621 1.936 ( -4.415 4.421 -2.038) 6.572 2.027 ( -3.458 -3.543 -1.783) 5.262 2.097 ( -7.441 6.930 -0.609) 10.186 2.102 ( -4.657 5.794 -3.012) 8.021 2.172 ( -7.431 -0.628 4.435) 8.677 2.204 ( -4.845 -2.971 -3.833) 6.856 2.311 ( -7.531 0.190 -0.154) 7.535 2.337 ( -9.229 -2.796 -3.470) 10.249 2.428 ( -8.797 0.291 -0.756) 8.834 2.465 ( -7.859 -3.935 -0.386) 8.798 2.541 ( -8.438 1.340 -3.948) 9.411 2.610 ( -6.695 -5.247 -0.322) 8.512 2.724 ( -3.017 1.656 -1.744) 3.858 2.730 ( -5.735 1.150 -1.919) 6.156 2.764 ( -7.148 1.934 -2.871) 7.942 2.824 ( -14.702 0.767 -1.686) 14.819 2.840 ( -11.733 -1.121 1.305) 11.858 2.872 ( -11.668 2.658 0.222) 11.969 2.906 ( -14.589 -1.836 -4.083) 15.260 2.947 ( -9.430 -4.867 0.709) 10.636 3.017 ( -7.714 1.097 0.597) 7.815 3.079 ( -7.890 -3.827 -2.791) 9.203 3.169 ( -3.378 5.663 -7.053) 9.656 3.248 ( -3.982 -2.984 -2.841) 5.730 3.314 ( -2.442 2.779 4.595) 5.899 3.339 ( 1.882 0.346 0.294) 1.936 3.384 ( -3.197 -0.171 4.258) 5.327 3.430 ( -4.656 -2.637 2.116) 5.754 3.571 ( -11.464 2.748 4.856) 12.750 3.606 ( -10.064 -1.326 4.018) 10.918 3.676 ( -4.122 3.107 -0.271) 5.169 3.719 ( -1.730 -0.967 0.078) 1.983 3.759 ( 0.078 2.988 2.760) 4.068 3.830 ( -2.808 -3.702 -0.472) 4.670 4.165 ( -4.053 4.696 3.089) 6.930 4.252 ( -3.735 -3.592 -0.587) 5.215 4.323 ( 0.104 1.693 -6.606) 6.820 4.366 ( -0.642 -2.655 -2.411) 3.643 4.950 ( 5.151 0.211 -1.757) 5.447 4.957 ( 5.558 -0.343 -2.004) 5.918 5.012 ( 2.027 1.832 1.798) 3.271 5.051 ( 2.938 -2.171 1.296) 3.877 5.127 ( 4.914 1.774 1.410) 5.411 5.155 ( 5.961 -1.242 1.068) 6.182 5.191 ( 4.159 0.392 1.908) 4.592 5.198 ( 4.537 -0.270 0.906) 4.635 5.623 ( 6.980 1.537 -0.434) 7.160 5.659 ( 7.534 -2.193 -0.465) 7.860 5.735 ( 9.000 1.476 0.957) 9.171 5.751 ( 7.631 0.439 -0.086) 7.644 5.814 ( 4.884 0.100 -0.995) 4.985 5.840 ( 3.219 -2.170 -2.364) 4.545 5.990 ( 4.429 2.146 -2.011) 5.316 6.025 ( 2.183 -1.428 -2.791) 3.820 7.806 ( -2.643 0.388 0.013) 2.672 7.815 ( -2.336 -0.153 0.082) 2.342 7.874 ( -3.224 0.552 -2.279) 3.986 7.888 ( -1.328 -0.623 -0.056) 1.468 8.525 ( -3.448 1.065 2.638) 4.470 8.551 ( -2.716 -1.457 1.577) 3.462 8.670 ( 1.504 0.601 -5.936) 6.153 8.681 ( 1.400 -0.468 -5.977) 6.157 8.992 ( -2.362 0.864 1.622) 2.993 9.013 ( -1.864 -1.260 1.560) 2.737 9.152 ( 0.505 1.204 -0.736) 1.498 9.169 ( 0.684 -0.590 -1.026) 1.367 9.452 ( 0.752 0.598 3.521) 3.650 9.461 ( 0.589 -0.226 3.870) 3.921 9.637 ( 2.431 2.744 4.683) 5.948 9.711 ( 4.780 -4.741 6.348) 9.253 9.991 ( 4.984 2.783 0.029) 5.708 10.021 ( 6.413 -0.538 -3.155) 7.167 10.144 ( 4.992 1.107 -2.937) 5.897 10.173 ( 5.739 -1.544 -3.949) 7.135 ======================= Grid point 98 (64/74) ======================= q-point: (-0.11 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -11.950 4.376 11.805) 17.358 1.093 ( -6.293 1.740 11.006) 12.797 1.202 ( -11.993 -0.821 10.741) 16.121 1.322 ( -5.659 -9.098 9.357) 14.225 1.481 ( -4.714 0.225 -1.596) 4.981 1.494 ( -6.812 -1.299 -3.484) 7.760 1.664 ( -3.210 4.404 2.900) 6.173 1.698 ( -9.122 2.548 -0.082) 9.472 1.747 ( -8.801 -0.861 0.784) 8.877 1.783 ( -5.705 -1.295 -0.661) 5.888 1.813 ( -4.604 5.076 0.839) 6.904 1.900 ( -3.150 -0.626 -0.732) 3.293 1.925 ( -7.505 0.868 1.937) 7.800 1.986 ( -5.514 1.349 4.906) 7.503 2.015 ( -6.443 -2.205 -4.218) 8.011 2.053 ( -7.433 -1.617 3.549) 8.394 2.200 ( -2.807 1.822 0.392) 3.370 2.229 ( -4.319 0.668 5.602) 7.105 2.279 ( -6.708 -2.204 3.797) 8.017 2.335 ( -3.177 -7.204 -1.497) 8.014 2.442 ( -2.622 4.543 -1.848) 5.561 2.469 ( -5.528 1.129 -4.290) 7.088 2.546 ( -6.409 1.680 -5.998) 8.938 2.554 ( -5.397 -2.076 -2.074) 6.144 2.566 ( -7.027 -0.697 -4.744) 8.507 2.665 ( -7.285 -5.528 -2.590) 9.504 2.714 ( -3.651 4.126 2.142) 5.911 2.749 ( -0.623 2.830 1.216) 3.142 2.809 ( -4.859 0.418 5.569) 7.403 2.864 ( -4.558 4.050 -4.410) 7.525 2.912 ( -3.319 -2.247 -6.064) 7.269 2.939 ( -3.323 -7.284 3.007) 8.553 3.051 ( -2.281 2.711 -3.808) 5.201 3.133 ( -3.744 -3.818 -4.943) 7.282 3.284 ( -3.103 5.201 -0.288) 6.063 3.369 ( -1.576 -2.968 0.347) 3.378 3.388 ( 0.323 2.338 4.069) 4.704 3.435 ( 0.626 -1.846 3.625) 4.116 3.508 ( -3.002 2.459 6.018) 7.161 3.537 ( -1.596 -0.784 3.814) 4.208 3.659 ( 0.163 3.261 1.401) 3.553 3.717 ( 1.474 -2.710 -1.020) 3.250 3.800 ( 0.713 1.818 1.495) 2.459 3.825 ( 0.721 -0.815 -0.526) 1.208 4.121 ( -2.885 2.107 0.085) 3.573 4.190 ( -2.338 -4.290 -1.123) 5.014 4.276 ( 2.029 4.182 -6.050) 7.630 4.346 ( 1.153 -2.815 -2.859) 4.175 5.000 ( 1.790 0.802 -0.398) 2.002 5.015 ( 1.617 -0.476 -0.782) 1.858 5.077 ( 3.886 0.866 0.261) 3.990 5.103 ( 2.304 -1.733 0.355) 2.905 5.211 ( 2.070 2.233 3.195) 4.413 5.250 ( 3.203 -1.794 2.452) 4.415 5.277 ( 3.587 0.324 -0.135) 3.604 5.282 ( 4.156 -0.067 0.072) 4.157 5.697 ( 2.460 1.260 -0.884) 2.902 5.731 ( 1.948 -2.099 -1.703) 3.332 5.780 ( -0.427 0.932 -2.664) 2.854 5.795 ( 0.117 -0.338 -3.175) 3.195 5.922 ( 5.688 0.310 0.548) 5.723 5.934 ( 5.505 -0.998 0.949) 5.674 6.015 ( 0.344 1.174 -0.412) 1.291 6.031 ( 1.654 -0.483 -0.193) 1.733 7.764 ( -0.454 0.909 0.147) 1.026 7.784 ( -0.340 -0.992 0.539) 1.179 7.818 ( -2.484 2.593 0.854) 3.691 7.866 ( -1.902 -2.161 0.354) 2.901 8.483 ( -3.627 1.164 1.744) 4.190 8.509 ( -2.900 -1.426 0.664) 3.299 8.636 ( 1.891 0.540 -5.973) 6.288 8.646 ( 1.776 -0.435 -5.722) 6.008 8.992 ( -0.851 0.930 3.501) 3.721 9.013 ( -1.068 -1.223 3.195) 3.584 9.146 ( 0.173 0.948 -1.210) 1.547 9.161 ( 0.114 -0.561 -1.492) 1.598 9.514 ( 1.093 0.331 4.859) 4.991 9.522 ( 0.935 -0.399 4.791) 4.898 9.721 ( 1.237 4.438 3.770) 5.953 9.830 ( 2.351 -6.744 2.397) 7.534 10.060 ( 3.596 2.326 -3.023) 5.242 10.070 ( 3.861 0.519 -4.875) 6.240 10.204 ( 4.710 0.493 -3.806) 6.076 10.222 ( 4.513 -0.867 -5.116) 6.877 ======================= Grid point 108 (65/74) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -2.834 0.000 -2.084) 3.518 1.156 ( 2.834 0.000 2.084) 3.518 1.230 ( -6.024 0.000 -10.041) 11.710 1.230 ( 6.024 0.000 10.041) 11.710 1.459 ( 3.794 0.000 -9.647) 10.366 1.459 ( -3.794 0.000 9.647) 10.366 1.503 ( 1.765 0.000 -1.547) 2.347 1.503 ( -1.765 0.000 1.547) 2.347 1.663 ( -2.664 0.000 -6.672) 7.184 1.663 ( 2.664 0.000 6.672) 7.184 1.771 ( -1.140 0.000 -7.877) 7.959 1.771 ( 1.140 0.000 7.877) 7.959 2.034 ( -0.902 0.000 -1.458) 1.714 2.034 ( 0.902 0.000 1.458) 1.714 2.147 ( 0.145 0.000 -1.263) 1.272 2.147 ( -0.145 0.000 1.263) 1.272 2.170 ( -0.928 0.000 -7.985) 8.039 2.170 ( 0.928 0.000 7.985) 8.039 2.313 ( 0.864 0.000 -0.848) 1.210 2.313 ( -0.864 0.000 0.848) 1.210 2.360 ( -0.988 0.000 -1.852) 2.099 2.360 ( 0.988 0.000 1.852) 2.099 2.439 ( 0.261 0.000 -4.686) 4.693 2.439 ( -0.261 0.000 4.686) 4.693 2.536 ( -0.550 0.000 -3.231) 3.277 2.536 ( 0.550 0.000 3.231) 3.277 2.639 ( -2.050 0.000 -3.121) 3.734 2.639 ( 2.050 0.000 3.121) 3.734 2.787 ( -0.741 0.000 -3.761) 3.833 2.787 ( 0.741 0.000 3.761) 3.833 2.885 ( 0.641 0.000 -5.696) 5.732 2.885 ( -0.641 0.000 5.696) 5.732 3.102 ( 1.773 0.000 -6.790) 7.018 3.102 ( -1.773 0.000 6.790) 7.018 3.249 ( -1.201 0.000 -5.678) 5.803 3.249 ( 1.201 0.000 5.678) 5.803 3.549 ( 0.396 0.000 -3.880) 3.900 3.549 ( -0.396 0.000 3.880) 3.900 3.592 ( 1.280 0.000 -3.368) 3.603 3.592 ( -1.280 0.000 3.368) 3.603 3.663 ( 2.465 0.000 -5.991) 6.478 3.663 ( -2.465 0.000 5.991) 6.478 3.777 ( -2.663 0.000 -0.373) 2.689 3.777 ( 2.663 0.000 0.373) 2.689 4.067 ( 2.136 0.000 -2.305) 3.142 4.067 ( -2.136 0.000 2.305) 3.142 4.303 ( 1.657 0.000 -5.034) 5.300 4.303 ( -1.657 0.000 5.034) 5.300 5.006 ( -0.402 0.000 0.085) 0.411 5.006 ( 0.402 0.000 -0.085) 0.411 5.128 ( -0.213 0.000 -0.808) 0.836 5.128 ( 0.213 0.000 0.808) 0.836 5.279 ( 1.127 0.000 -1.908) 2.217 5.279 ( -1.127 0.000 1.908) 2.217 5.326 ( -0.364 0.000 -0.467) 0.592 5.326 ( 0.364 0.000 0.467) 0.592 5.705 ( -0.052 0.000 -0.889) 0.891 5.705 ( 0.052 0.000 0.889) 0.891 5.729 ( 0.388 0.000 -1.146) 1.210 5.729 ( -0.388 0.000 1.146) 1.210 6.000 ( -0.788 0.000 -0.458) 0.912 6.000 ( 0.788 0.000 0.458) 0.912 6.042 ( -1.181 0.000 -0.675) 1.361 6.042 ( 1.181 0.000 0.675) 1.361 7.778 ( -3.108 0.000 0.943) 3.248 7.778 ( 3.108 0.000 -0.943) 3.248 7.849 ( -3.821 0.000 0.384) 3.840 7.849 ( 3.821 0.000 -0.384) 3.840 8.502 ( 2.915 0.000 -4.633) 5.474 8.502 ( -2.915 0.000 4.633) 5.474 8.538 ( 2.259 0.000 -3.842) 4.457 8.538 ( -2.259 0.000 3.842) 4.457 9.087 ( 0.111 0.000 -2.770) 2.772 9.087 ( -0.111 0.000 2.770) 2.772 9.103 ( 0.407 0.000 -2.799) 2.828 9.103 ( -0.407 0.000 2.799) 2.828 9.640 ( -0.077 0.000 -0.175) 0.191 9.640 ( 0.077 0.000 0.175) 0.191 9.793 ( 0.545 0.000 -5.946) 5.971 9.793 ( -0.545 0.000 5.946) 5.971 10.037 ( 0.196 0.000 -0.066) 0.207 10.037 ( -0.196 0.000 0.066) 0.207 10.156 ( -1.426 0.000 0.241) 1.447 10.156 ( 1.426 0.000 -0.240) 1.447 ======================= Grid point 110 (66/74) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 5.803 0.000 -3.397) 6.724 1.284 ( 4.976 0.000 -5.185) 7.187 1.306 ( 17.480 0.000 -3.467) 17.820 1.430 ( 10.641 0.000 -3.203) 11.113 1.550 ( 3.585 0.000 1.015) 3.726 1.574 ( 0.284 0.000 -0.226) 0.363 1.601 ( 8.858 0.000 -2.159) 9.117 1.635 ( 11.731 0.000 3.280) 12.181 1.646 ( 12.784 0.000 -2.343) 12.997 1.701 ( 11.450 0.000 1.737) 11.581 1.838 ( 6.698 0.000 2.668) 7.210 1.877 ( 1.157 0.000 8.050) 8.133 1.972 ( 2.475 0.000 -7.845) 8.226 2.033 ( 4.689 0.000 -5.164) 6.976 2.118 ( 3.738 0.000 -6.907) 7.854 2.123 ( 0.101 0.000 -3.444) 3.445 2.203 ( 4.549 0.000 3.252) 5.592 2.289 ( 0.395 0.000 -4.279) 4.297 2.316 ( 3.198 0.000 1.928) 3.734 2.347 ( 1.976 0.000 3.292) 3.839 2.419 ( 6.866 0.000 1.364) 7.000 2.427 ( 9.612 0.000 5.252) 10.953 2.487 ( 1.034 0.000 4.254) 4.378 2.529 ( 8.509 0.000 0.353) 8.516 2.544 ( 3.130 0.000 1.393) 3.426 2.571 ( 1.068 0.000 3.587) 3.743 2.655 ( 5.747 0.000 -1.969) 6.075 2.720 ( 1.563 0.000 -3.214) 3.574 2.813 ( 9.109 0.000 0.018) 9.109 2.851 ( 1.706 0.000 3.917) 4.272 2.891 ( 6.669 0.000 -3.986) 7.769 2.981 ( 2.542 0.000 8.508) 8.880 3.059 ( 3.225 0.000 -7.415) 8.086 3.128 ( -1.930 0.000 5.036) 5.394 3.219 ( 3.896 0.000 -4.163) 5.702 3.366 ( 5.430 0.000 2.554) 6.001 3.504 ( 1.574 0.000 -8.088) 8.240 3.538 ( -0.536 0.000 -4.156) 4.191 3.563 ( -1.878 0.000 0.853) 2.063 3.577 ( 1.785 0.000 -2.703) 3.240 3.667 ( 1.498 0.000 -1.374) 2.032 3.716 ( -3.519 0.000 8.003) 8.743 3.736 ( 0.236 0.000 1.401) 1.421 3.820 ( 2.714 0.000 -1.670) 3.186 4.080 ( -0.315 0.000 4.913) 4.923 4.096 ( 2.076 0.000 0.559) 2.150 4.282 ( 2.370 0.000 -5.615) 6.095 4.331 ( -0.391 0.000 3.755) 3.775 4.991 ( -2.215 0.000 0.687) 2.319 4.999 ( -2.618 0.000 1.169) 2.867 5.082 ( -2.850 0.000 -1.344) 3.151 5.107 ( -2.753 0.000 0.761) 2.857 5.256 ( -1.169 0.000 -2.770) 3.007 5.261 ( -2.558 0.000 0.817) 2.686 5.290 ( -2.855 0.000 -0.996) 3.024 5.309 ( -1.734 0.000 -1.245) 2.134 5.680 ( -2.423 0.000 -0.185) 2.431 5.715 ( -0.804 0.000 2.129) 2.275 5.727 ( -1.290 0.000 1.220) 1.775 5.730 ( -1.882 0.000 2.689) 3.282 5.941 ( -4.829 0.000 -1.533) 5.067 5.973 ( -5.474 0.000 -1.131) 5.590 5.997 ( -0.453 0.000 -0.147) 0.476 6.033 ( -2.675 0.000 0.303) 2.692 7.749 ( -0.587 0.000 0.504) 0.773 7.801 ( -1.043 0.000 -0.001) 1.043 7.825 ( 3.683 0.000 -2.092) 4.236 7.906 ( 3.231 0.000 -1.458) 3.545 8.512 ( -2.205 0.000 5.731) 6.140 8.520 ( 3.643 0.000 -3.074) 4.767 8.545 ( -2.166 0.000 4.913) 5.370 8.547 ( 2.667 0.000 -2.487) 3.647 9.056 ( 0.489 0.000 -3.642) 3.675 9.086 ( 0.939 0.000 -2.876) 3.026 9.109 ( 0.050 0.000 1.721) 1.722 9.130 ( 0.163 0.000 2.260) 2.265 9.605 ( -1.665 0.000 -3.531) 3.903 9.605 ( -1.602 0.000 -2.751) 3.184 9.739 ( -1.384 0.000 -3.223) 3.508 9.838 ( -2.493 0.000 6.737) 7.183 10.018 ( -1.845 0.000 -0.193) 1.855 10.022 ( -1.993 0.000 0.033) 1.993 10.124 ( -4.289 0.000 3.911) 5.804 10.149 ( -3.443 0.000 1.795) 3.883 ======================= Grid point 111 (67/74) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 3.997 0.000 -0.740) 4.065 1.259 ( 6.348 0.000 -11.313) 12.972 1.470 ( 3.090 0.000 -8.962) 9.479 1.545 ( 0.535 0.000 0.934) 1.076 1.607 ( 5.603 0.000 -6.128) 8.303 1.623 ( 12.615 0.000 -0.780) 12.639 1.743 ( 5.991 0.000 -4.448) 7.461 1.767 ( 11.148 0.000 3.767) 11.767 1.815 ( 1.248 0.000 -1.376) 1.858 1.927 ( 2.355 0.000 -0.700) 2.457 1.927 ( 1.527 0.000 0.672) 1.669 1.972 ( -0.598 0.000 -6.070) 6.099 1.994 ( 10.097 0.000 2.724) 10.458 2.091 ( 4.956 0.000 -4.793) 6.895 2.205 ( 8.224 0.000 -1.115) 8.299 2.227 ( 11.012 0.000 3.840) 11.663 2.292 ( 7.332 0.000 -0.776) 7.373 2.389 ( 2.406 0.000 0.957) 2.589 2.393 ( 7.927 0.000 4.404) 9.069 2.407 ( 6.348 0.000 -3.033) 7.036 2.571 ( 1.629 0.000 -0.676) 1.764 2.597 ( 1.715 0.000 11.168) 11.299 2.637 ( 6.945 0.000 2.752) 7.471 2.684 ( 15.628 0.000 3.358) 15.985 2.728 ( 9.654 0.000 4.733) 10.752 2.758 ( 12.094 0.000 4.310) 12.839 2.767 ( 10.552 0.000 -4.842) 11.610 2.799 ( 15.643 0.000 -1.170) 15.687 2.930 ( 2.184 0.000 4.530) 5.029 2.954 ( 9.699 0.000 -0.477) 9.711 3.039 ( 11.837 0.000 -5.450) 13.031 3.116 ( 11.395 0.000 -2.423) 11.650 3.138 ( 2.686 0.000 10.234) 10.581 3.144 ( 0.301 0.000 1.076) 1.117 3.335 ( 11.607 0.000 -2.097) 11.795 3.369 ( -0.266 0.000 -5.873) 5.879 3.481 ( 3.834 0.000 -4.942) 6.255 3.506 ( 2.902 0.000 -3.343) 4.427 3.605 ( 6.653 0.000 -2.477) 7.100 3.665 ( 3.492 0.000 5.404) 6.434 3.680 ( 2.608 0.000 -2.229) 3.431 3.681 ( 2.721 0.000 -1.178) 2.965 3.829 ( 5.161 0.000 3.583) 6.283 3.839 ( 3.904 0.000 -5.294) 6.578 4.152 ( 3.460 0.000 0.925) 3.581 4.161 ( 2.545 0.000 5.928) 6.451 4.275 ( 3.171 0.000 -4.380) 5.407 4.375 ( 1.684 0.000 2.745) 3.221 4.922 ( -6.881 0.000 1.436) 7.030 4.927 ( -5.867 0.000 1.146) 5.977 5.026 ( -2.022 0.000 -1.565) 2.557 5.065 ( -3.726 0.000 0.975) 3.851 5.167 ( -5.390 0.000 -3.311) 6.326 5.187 ( -5.404 0.000 -1.460) 5.598 5.217 ( -3.752 0.000 -1.123) 3.917 5.253 ( -2.009 0.000 -3.037) 3.642 5.602 ( -6.551 0.000 0.012) 6.551 5.677 ( -7.037 0.000 2.729) 7.548 5.680 ( -5.161 0.000 1.173) 5.293 5.728 ( -4.367 0.000 2.595) 5.080 5.818 ( -5.430 0.000 -0.371) 5.443 5.834 ( -7.493 0.000 -0.915) 7.549 5.952 ( -6.732 0.000 0.238) 6.736 5.993 ( -1.428 0.000 1.535) 2.097 7.773 ( 1.795 0.000 1.554) 2.375 7.823 ( 2.124 0.000 1.747) 2.750 7.859 ( 3.203 0.000 -3.069) 4.436 7.929 ( 1.720 0.000 -2.265) 2.844 8.542 ( -1.729 0.000 6.278) 6.512 8.562 ( 3.992 0.000 -2.076) 4.499 8.566 ( -1.924 0.000 5.948) 6.251 8.582 ( 3.309 0.000 -1.243) 3.535 9.034 ( 1.345 0.000 -3.240) 3.508 9.073 ( 0.977 0.000 -2.767) 2.935 9.124 ( 0.064 0.000 0.824) 0.827 9.151 ( -0.075 0.000 1.354) 1.356 9.527 ( -1.946 0.000 -4.240) 4.666 9.540 ( -1.751 0.000 -3.451) 3.870 9.669 ( -3.019 0.000 -2.352) 3.827 9.825 ( -5.008 0.000 2.286) 5.505 9.962 ( -4.550 0.000 0.305) 4.560 9.972 ( -2.694 0.000 -0.531) 2.746 10.089 ( -4.916 0.000 5.089) 7.076 10.090 ( -4.372 0.000 2.023) 4.817 ======================= Grid point 112 (68/74) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 1.839 0.000 0.003) 1.839 1.311 ( 10.219 0.000 -7.294) 12.555 1.432 ( 3.574 0.000 -7.678) 8.469 1.507 ( -4.576 0.000 1.122) 4.711 1.657 ( 3.067 0.000 -4.810) 5.705 1.705 ( 3.228 0.000 -7.750) 8.396 1.752 ( 2.285 0.000 -7.717) 8.048 1.841 ( 0.819 0.000 1.941) 2.107 1.899 ( 5.961 0.000 -4.951) 7.749 1.957 ( -2.329 0.000 6.281) 6.699 1.976 ( 3.955 0.000 -1.100) 4.105 2.037 ( 9.789 0.000 5.045) 11.012 2.080 ( 0.434 0.000 -0.797) 0.908 2.119 ( 2.542 0.000 -0.678) 2.631 2.294 ( 3.088 0.000 -0.583) 3.143 2.318 ( 0.599 0.000 -7.008) 7.033 2.398 ( 3.878 0.000 -0.237) 3.885 2.428 ( 1.532 0.000 3.267) 3.609 2.529 ( 6.419 0.000 3.289) 7.213 2.560 ( 4.547 0.000 4.227) 6.208 2.629 ( 2.731 0.000 3.979) 4.826 2.753 ( 2.122 0.000 1.019) 2.354 2.768 ( 3.530 0.000 1.376) 3.789 2.777 ( 4.657 0.000 -0.468) 4.680 2.873 ( 6.158 0.000 0.916) 6.225 2.951 ( 2.843 0.000 6.903) 7.466 2.999 ( 3.337 0.000 -0.853) 3.444 3.013 ( 1.529 0.000 2.986) 3.354 3.134 ( 7.449 0.000 4.239) 8.571 3.138 ( 5.251 0.000 -3.647) 6.393 3.211 ( 16.433 0.000 -0.903) 16.457 3.222 ( -0.377 0.000 7.761) 7.771 3.279 ( 18.151 0.000 2.038) 18.266 3.423 ( 16.353 0.000 0.136) 16.353 3.443 ( 13.080 0.000 -0.807) 13.105 3.461 ( 11.882 0.000 -4.663) 12.764 3.544 ( 9.265 0.000 -3.802) 10.015 3.573 ( 7.605 0.000 -5.999) 9.686 3.649 ( 0.209 0.000 2.513) 2.522 3.730 ( 5.371 0.000 1.290) 5.524 3.845 ( 10.260 0.000 -1.456) 10.363 3.851 ( 18.855 0.000 -2.978) 19.089 3.892 ( 11.575 0.000 -4.964) 12.595 4.034 ( 13.297 0.000 0.451) 13.305 4.245 ( 8.697 0.000 -3.027) 9.209 4.283 ( 4.566 0.000 5.482) 7.134 4.322 ( 4.863 0.000 0.850) 4.937 4.454 ( 3.915 0.000 2.040) 4.415 4.797 ( -9.159 0.000 1.425) 9.270 4.811 ( -9.037 0.000 1.777) 9.210 4.939 ( -11.870 0.000 1.275) 11.938 4.942 ( -9.714 0.000 -0.045) 9.714 5.017 ( -3.960 0.000 -3.504) 5.288 5.088 ( -3.431 0.000 -1.790) 3.870 5.128 ( -4.579 0.000 -1.017) 4.690 5.158 ( -5.092 0.000 -3.578) 6.223 5.451 ( -9.264 0.000 -0.527) 9.279 5.484 ( -13.905 0.000 -0.271) 13.908 5.563 ( -12.584 0.000 -1.124) 12.634 5.584 ( -6.265 0.000 -1.145) 6.369 5.754 ( -1.267 0.000 1.459) 1.932 5.806 ( -1.300 0.000 3.575) 3.804 5.820 ( -7.042 0.000 0.592) 7.067 5.960 ( -4.412 0.000 2.046) 4.863 7.827 ( 1.359 0.000 2.469) 2.818 7.875 ( 2.502 0.000 -3.412) 4.231 7.886 ( 1.034 0.000 3.503) 3.653 7.928 ( 1.482 0.000 -2.898) 3.255 8.580 ( -1.603 0.000 6.308) 6.508 8.601 ( -1.726 0.000 6.583) 6.806 8.608 ( 3.680 0.000 -2.731) 4.582 8.628 ( 3.294 0.000 -1.724) 3.718 9.041 ( 2.178 0.000 -1.337) 2.556 9.067 ( 1.209 0.000 -1.691) 2.078 9.127 ( -0.341 0.000 0.095) 0.354 9.151 ( -1.003 0.000 0.364) 1.067 9.456 ( -1.428 0.000 -3.054) 3.372 9.476 ( -1.415 0.000 -3.036) 3.349 9.597 ( -2.449 0.000 -1.173) 2.716 9.714 ( -4.890 0.000 -4.139) 6.407 9.897 ( -4.084 0.000 2.331) 4.702 9.917 ( -2.565 0.000 -0.726) 2.665 10.052 ( -2.240 0.000 1.592) 2.748 10.059 ( -3.639 0.000 3.792) 5.256 ======================= Grid point 113 (69/74) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 3.918 0.000 2.367) 4.577 1.421 ( -1.522 0.000 -1.032) 1.839 1.441 ( 4.996 0.000 -5.034) 7.093 1.442 ( 3.785 0.000 -0.380) 3.804 1.562 ( -2.771 0.000 -4.054) 4.911 1.618 ( -5.602 0.000 -2.427) 6.105 1.813 ( 6.786 0.000 -3.774) 7.765 1.847 ( -0.170 0.000 1.110) 1.123 1.973 ( 6.950 0.000 -8.284) 10.813 1.978 ( -5.201 0.000 10.145) 11.401 2.035 ( 2.658 0.000 0.038) 2.659 2.063 ( -1.139 0.000 -0.110) 1.145 2.142 ( 0.085 0.000 0.970) 0.974 2.157 ( -0.422 0.000 0.348) 0.547 2.289 ( 3.959 0.000 -2.744) 4.817 2.318 ( 0.004 0.000 -0.094) 0.094 2.443 ( 2.199 0.000 -0.793) 2.338 2.459 ( -0.856 0.000 1.782) 1.977 2.625 ( 2.217 0.000 0.149) 2.222 2.633 ( 0.351 0.000 1.950) 1.982 2.760 ( 1.852 0.000 -0.763) 2.003 2.782 ( 5.783 0.000 8.123) 9.971 2.792 ( -0.854 0.000 -0.511) 0.995 2.855 ( 3.388 0.000 -0.385) 3.410 2.910 ( -1.531 0.000 -2.515) 2.945 2.938 ( -2.519 0.000 -4.411) 5.079 3.062 ( -0.132 0.000 3.904) 3.906 3.065 ( 1.820 0.000 3.967) 4.364 3.147 ( 0.453 0.000 0.077) 0.460 3.183 ( -1.188 0.000 -0.296) 1.224 3.290 ( 0.117 0.000 3.958) 3.959 3.322 ( 1.526 0.000 -3.868) 4.158 3.518 ( 2.839 0.000 5.049) 5.792 3.570 ( 2.122 0.000 -3.827) 4.376 3.598 ( 3.619 0.000 -1.118) 3.787 3.599 ( 1.165 0.000 2.462) 2.724 3.691 ( 6.946 0.000 1.542) 7.115 3.710 ( 11.615 0.000 -5.719) 12.947 3.892 ( 17.619 0.000 1.267) 17.665 3.918 ( 12.519 0.000 -1.301) 12.586 4.040 ( 10.182 0.000 -1.002) 10.231 4.055 ( 10.621 0.000 -0.750) 10.648 4.133 ( 9.839 0.000 -1.881) 10.017 4.199 ( 3.556 0.000 -0.163) 3.560 4.421 ( 6.594 0.000 -1.250) 6.711 4.430 ( 3.158 0.000 2.903) 4.290 4.465 ( 13.532 0.000 -0.336) 13.536 4.489 ( -1.754 0.000 1.635) 2.398 4.622 ( -11.678 0.000 1.081) 11.728 4.671 ( -7.716 0.000 0.307) 7.722 4.721 ( -7.457 0.000 -0.728) 7.492 4.748 ( -7.198 0.000 0.756) 7.238 4.970 ( -0.535 0.000 -0.319) 0.623 4.993 ( -6.176 0.000 0.122) 6.177 5.011 ( -6.476 0.000 -1.307) 6.607 5.029 ( -6.201 0.000 0.364) 6.212 5.294 ( -4.308 0.000 0.070) 4.309 5.307 ( -4.175 0.000 -1.849) 4.566 5.358 ( -5.730 0.000 -0.757) 5.780 5.420 ( -8.532 0.000 -2.093) 8.785 5.756 ( -0.974 0.000 1.473) 1.766 5.756 ( -0.955 0.000 0.134) 0.965 5.835 ( 1.627 0.000 1.574) 2.264 5.894 ( -4.270 0.000 0.746) 4.335 7.864 ( -0.317 0.000 2.712) 2.730 7.877 ( 1.548 0.000 -3.036) 3.408 7.922 ( -1.358 0.000 3.768) 4.005 7.926 ( 2.097 0.000 -3.440) 4.029 8.614 ( -1.939 0.000 5.738) 6.057 8.627 ( 2.726 0.000 -4.435) 5.206 8.637 ( -1.996 0.000 6.069) 6.389 8.651 ( 2.664 0.000 -4.125) 4.910 9.076 ( 1.873 0.000 0.447) 1.926 9.086 ( 1.996 0.000 -0.015) 1.996 9.111 ( -1.192 0.000 -0.691) 1.378 9.125 ( -1.837 0.000 -0.272) 1.857 9.420 ( -0.234 0.000 -0.829) 0.861 9.430 ( -0.866 0.000 -1.520) 1.750 9.568 ( -0.627 0.000 1.262) 1.410 9.606 ( -1.875 0.000 -3.931) 4.355 9.866 ( -1.704 0.000 1.623) 2.353 9.874 ( -0.993 0.000 -1.000) 1.409 10.039 ( -0.370 0.000 0.238) 0.440 10.042 ( -1.601 0.000 1.729) 2.357 ======================= Grid point 118 (70/74) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -1.599 -0.038 -1.078) 1.929 1.155 ( 1.599 -0.038 1.078) 1.929 1.247 ( -3.212 1.194 -6.426) 7.282 1.247 ( 3.212 1.194 6.426) 7.282 1.461 ( -0.277 0.727 -6.228) 6.277 1.461 ( 0.277 0.727 6.228) 6.277 1.492 ( 2.467 -1.674 -5.127) 5.931 1.492 ( -2.467 -1.674 5.127) 5.931 1.683 ( -1.993 2.666 -3.465) 4.804 1.683 ( 1.993 2.666 3.465) 4.804 1.762 ( 0.512 -1.737 -6.613) 6.856 1.762 ( -0.512 -1.737 6.613) 6.856 2.048 ( -2.061 2.099 -2.032) 3.575 2.048 ( 2.061 2.099 2.032) 3.575 2.117 ( -2.490 -4.377 -6.498) 8.221 2.117 ( 2.490 -4.377 6.498) 8.221 2.171 ( -0.370 1.909 -3.685) 4.166 2.171 ( 0.370 1.909 3.685) 4.166 2.258 ( -0.641 -3.527 -3.759) 5.195 2.258 ( 0.641 -3.527 3.759) 5.195 2.382 ( -1.330 0.994 -0.973) 1.925 2.382 ( 1.330 0.994 0.973) 1.925 2.457 ( -0.602 1.831 -3.107) 3.656 2.457 ( 0.602 1.831 3.107) 3.656 2.544 ( -0.896 -0.584 -4.556) 4.680 2.544 ( 0.896 -0.584 4.556) 4.680 2.618 ( 0.090 -0.968 -1.801) 2.046 2.618 ( -0.090 -0.968 1.801) 2.046 2.829 ( -1.253 3.297 -2.663) 4.419 2.829 ( 1.253 3.297 2.663) 4.419 2.886 ( -0.096 -0.422 -3.919) 3.943 2.886 ( 0.096 -0.422 3.919) 3.943 3.063 ( 0.886 -2.499 -3.155) 4.122 3.063 ( -0.886 -2.499 3.155) 4.122 3.277 ( -0.552 1.618 -2.581) 3.096 3.277 ( 0.552 1.618 2.581) 3.096 3.550 ( 0.822 0.063 -3.646) 3.738 3.550 ( -0.822 0.063 3.646) 3.738 3.580 ( 0.707 -0.782 -2.977) 3.158 3.580 ( -0.707 -0.782 2.977) 3.158 3.691 ( 1.420 2.375 -4.210) 5.037 3.691 ( -1.420 2.375 4.210) 5.038 3.749 ( 0.223 -2.401 -2.983) 3.836 3.749 ( -0.223 -2.401 2.983) 3.836 4.092 ( 0.841 1.727 -2.271) 2.975 4.092 ( -0.841 1.727 2.271) 2.975 4.285 ( 0.960 -1.313 -3.063) 3.468 4.285 ( -0.960 -1.313 3.063) 3.468 5.008 ( -0.132 0.084 -0.095) 0.183 5.008 ( 0.132 0.084 0.095) 0.183 5.125 ( -0.143 -0.204 -0.408) 0.478 5.125 ( 0.143 -0.204 0.408) 0.478 5.286 ( 0.667 0.551 -1.062) 1.369 5.286 ( -0.667 0.551 1.062) 1.369 5.321 ( -0.114 -0.388 -0.288) 0.496 5.321 ( 0.114 -0.388 0.288) 0.496 5.710 ( -0.080 0.477 -0.927) 1.046 5.710 ( 0.080 0.477 0.927) 1.046 5.723 ( 0.111 -0.545 -1.053) 1.190 5.723 ( -0.111 -0.545 1.053) 1.190 6.002 ( -0.453 0.137 -0.246) 0.533 6.002 ( 0.453 0.137 0.246) 0.533 6.040 ( -0.644 -0.103 -0.355) 0.743 6.040 ( 0.644 -0.103 0.355) 0.743 7.794 ( -2.969 1.454 0.723) 3.384 7.794 ( 2.969 1.454 -0.723) 3.384 7.833 ( -3.334 -1.458 0.448) 3.666 7.833 ( 3.334 -1.458 -0.448) 3.666 8.509 ( 2.196 0.554 -3.506) 4.174 8.509 ( -2.196 0.554 3.506) 4.174 8.532 ( 1.874 -0.508 -3.115) 3.671 8.532 ( -1.874 -0.508 3.115) 3.671 9.087 ( 0.058 0.008 -1.380) 1.381 9.087 ( -0.058 0.008 1.380) 1.381 9.103 ( 0.204 0.004 -1.395) 1.409 9.103 ( -0.204 0.004 1.395) 1.409 9.641 ( -0.026 0.061 -0.164) 0.177 9.641 ( 0.026 0.061 0.164) 0.177 9.793 ( 0.281 -0.015 -3.000) 3.013 9.793 ( -0.281 -0.015 3.000) 3.013 10.035 ( 0.085 -0.124 -0.412) 0.438 10.035 ( -0.085 -0.124 0.412) 0.438 10.157 ( -0.324 0.063 -0.119) 0.351 10.157 ( 0.324 0.063 0.119) 0.351 ======================= Grid point 120 (71/74) ======================= q-point: ( 0.11 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 5.751 3.061 -2.762) 7.076 1.239 ( 6.565 -3.724 -2.269) 7.882 1.334 ( 12.921 3.195 -5.340) 14.342 1.429 ( 9.386 -6.117 -3.981) 11.889 1.479 ( 9.966 2.920 -3.882) 11.087 1.549 ( 5.373 -3.648 -3.262) 7.268 1.641 ( 3.264 5.026 4.546) 7.522 1.679 ( 15.500 0.619 3.856) 15.984 1.688 ( 11.271 2.374 1.923) 11.678 1.725 ( 6.833 0.423 -1.483) 7.004 1.828 ( 6.135 0.761 1.076) 6.275 1.855 ( 2.337 -1.709 5.188) 5.941 2.003 ( 3.777 -1.789 -3.796) 5.646 2.017 ( 2.498 -0.796 -5.953) 6.505 2.087 ( 2.780 2.551 -3.956) 5.467 2.126 ( 3.184 0.773 -4.876) 5.875 2.220 ( 2.182 -2.431 -2.287) 3.988 2.251 ( 4.771 -0.156 3.710) 6.046 2.284 ( 3.187 -3.154 5.895) 7.407 2.331 ( 4.017 -2.331 2.902) 5.476 2.415 ( 3.046 1.789 0.976) 3.665 2.449 ( 3.099 0.578 -3.136) 4.447 2.474 ( 3.315 -1.682 3.210) 4.911 2.479 ( 4.686 -1.720 -1.735) 5.284 2.554 ( 7.830 3.926 -0.965) 8.812 2.624 ( 4.470 -0.202 3.415) 5.628 2.685 ( 4.477 2.120 4.885) 6.957 2.712 ( 5.485 -1.951 2.529) 6.347 2.818 ( 5.006 2.483 -1.728) 5.849 2.867 ( 5.111 -2.354 -1.410) 5.801 2.922 ( 2.066 5.175 3.037) 6.346 2.971 ( 3.811 0.305 2.196) 4.409 3.031 ( 1.124 -1.967 -3.611) 4.263 3.068 ( 0.893 -5.073 -2.143) 5.579 3.285 ( 4.066 4.837 -1.143) 6.422 3.352 ( 4.663 -1.920 1.774) 5.346 3.510 ( 1.109 0.875 -7.035) 7.176 3.532 ( -0.155 -0.919 -5.384) 5.464 3.555 ( -1.855 -0.033 1.843) 2.615 3.569 ( -0.149 -1.010 -0.077) 1.024 3.685 ( 0.886 1.605 -1.074) 2.125 3.715 ( -1.054 -1.267 -0.795) 1.830 3.745 ( 0.136 2.216 6.602) 6.965 3.794 ( 1.538 -2.419 1.613) 3.289 4.105 ( 1.958 2.501 0.814) 3.279 4.127 ( 1.066 1.254 3.283) 3.672 4.271 ( 1.790 -0.144 -4.028) 4.410 4.303 ( 0.085 -2.587 1.892) 3.206 4.991 ( -2.531 0.136 0.715) 2.634 4.996 ( -2.797 -0.303 1.007) 2.988 5.088 ( -2.516 0.620 -0.703) 2.685 5.101 ( -2.508 -0.634 0.293) 2.604 5.261 ( -2.160 0.339 -1.614) 2.717 5.263 ( -2.830 0.127 0.233) 2.842 5.292 ( -2.091 0.301 -1.308) 2.485 5.302 ( -1.564 -0.620 -1.439) 2.214 5.688 ( -2.241 0.820 -0.045) 2.386 5.708 ( -2.059 -1.112 0.485) 2.390 5.723 ( -0.576 0.527 2.746) 2.855 5.733 ( -1.179 -0.259 2.651) 2.913 5.944 ( -4.869 0.436 -1.511) 5.116 5.958 ( -4.770 -0.983 -1.361) 5.057 6.013 ( -1.716 1.043 0.071) 2.009 6.028 ( -2.387 -0.549 0.262) 2.463 7.762 ( -0.707 1.252 0.373) 1.485 7.788 ( -0.928 -1.289 0.125) 1.593 7.846 ( 3.561 1.997 -1.878) 4.494 7.886 ( 3.342 -1.921 -1.561) 4.159 8.517 ( -1.043 0.473 3.604) 3.781 8.524 ( 1.432 0.035 -0.094) 1.435 8.540 ( 0.125 -0.102 1.705) 1.713 8.545 ( 1.417 -0.357 -0.208) 1.476 9.062 ( 0.564 0.599 -3.429) 3.527 9.076 ( 0.735 -0.812 -2.931) 3.129 9.117 ( 0.176 0.595 1.724) 1.832 9.127 ( 0.178 -0.347 2.109) 2.145 9.602 ( -1.802 -0.121 -3.363) 3.817 9.603 ( -1.726 -0.180 -3.193) 3.634 9.767 ( -1.270 2.578 -1.184) 3.108 9.816 ( -1.754 -2.215 3.632) 4.602 10.012 ( -2.560 0.037 0.453) 2.600 10.020 ( -2.525 -0.531 1.392) 2.932 10.133 ( -3.706 0.838 2.898) 4.778 10.146 ( -3.374 -0.421 2.179) 4.038 ======================= Grid point 121 (72/74) ======================= q-point: ( 0.22 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 3.881 1.004 -2.087) 4.520 1.255 ( 4.039 -0.482 -6.044) 7.285 1.459 ( 4.331 0.412 -9.295) 10.262 1.515 ( 4.981 -5.436 -9.038) 11.664 1.596 ( 5.563 3.088 -1.107) 6.459 1.627 ( 12.301 -0.668 -0.785) 12.344 1.754 ( 5.921 1.568 -2.259) 6.528 1.803 ( 3.984 0.282 -3.705) 5.448 1.819 ( 3.098 2.120 0.667) 3.812 1.885 ( 2.145 -2.865 0.587) 3.626 1.949 ( 4.874 1.509 -0.802) 5.165 1.984 ( 6.076 -1.223 2.005) 6.514 2.063 ( 2.622 3.063 -0.131) 4.034 2.092 ( 4.287 1.041 -0.959) 4.514 2.178 ( 10.568 2.163 -1.437) 10.882 2.233 ( 8.506 -0.418 -0.027) 8.517 2.260 ( 5.676 -0.759 1.011) 5.815 2.368 ( 0.663 -6.548 -3.308) 7.366 2.404 ( 6.932 1.621 2.180) 7.445 2.446 ( 9.687 -4.376 2.649) 10.955 2.476 ( 4.877 4.810 3.635) 7.755 2.553 ( 3.665 -3.004 5.892) 7.561 2.648 ( 14.296 -1.159 3.723) 14.818 2.658 ( 12.247 -1.978 4.292) 13.127 2.753 ( 7.755 2.653 0.485) 8.210 2.784 ( 7.909 0.954 4.061) 8.941 2.831 ( 12.417 4.241 -2.249) 13.313 2.853 ( 12.164 3.075 -1.327) 12.617 2.960 ( 6.199 0.984 -3.794) 7.334 2.976 ( 8.040 3.971 5.489) 10.514 3.035 ( 7.990 -3.345 -3.630) 9.392 3.046 ( 9.810 -1.680 1.300) 10.037 3.078 ( 9.837 -3.811 -2.683) 10.885 3.099 ( 0.186 -4.307 7.523) 8.670 3.373 ( 3.690 2.017 -2.472) 4.878 3.389 ( 1.305 0.592 -3.184) 3.491 3.480 ( 4.288 0.598 -5.184) 6.754 3.498 ( 3.286 -0.891 -3.859) 5.146 3.609 ( 6.939 1.361 2.318) 7.442 3.645 ( 4.017 -1.698 5.368) 6.916 3.693 ( 1.933 0.792 -2.337) 3.134 3.699 ( 6.674 0.579 -4.992) 8.355 3.822 ( 3.048 -0.114 2.711) 4.081 3.831 ( 3.063 -0.757 -2.161) 3.824 4.179 ( 4.540 2.375 1.944) 5.480 4.199 ( 2.625 2.062 4.371) 5.499 4.268 ( 2.767 0.726 -3.831) 4.781 4.334 ( 1.823 -4.017 1.288) 4.595 4.919 ( -6.489 -0.070 1.308) 6.620 4.923 ( -6.038 -0.355 1.368) 6.201 5.038 ( -2.610 1.077 -0.970) 2.986 5.057 ( -3.391 -0.787 0.255) 3.490 5.171 ( -5.582 0.453 -2.472) 6.121 5.182 ( -5.438 -0.589 -1.619) 5.704 5.225 ( -3.378 0.902 -1.816) 3.940 5.244 ( -2.468 -0.887 -2.675) 3.746 5.614 ( -6.467 1.210 0.296) 6.586 5.643 ( -6.377 -1.795 1.033) 6.705 5.713 ( -5.282 1.523 2.911) 6.220 5.729 ( -4.556 -0.186 3.074) 5.499 5.815 ( -6.114 -0.034 -1.115) 6.214 5.824 ( -7.220 -0.837 -1.358) 7.394 5.964 ( -5.259 1.087 0.741) 5.421 5.984 ( -2.680 -0.927 1.344) 3.138 7.784 ( 1.812 1.036 1.393) 2.509 7.807 ( 1.930 -1.309 1.266) 2.654 7.881 ( 2.894 1.810 -2.395) 4.169 7.914 ( 2.117 -1.503 -2.228) 3.421 8.545 ( -1.277 0.385 5.532) 5.691 8.555 ( -0.250 -0.567 3.803) 3.853 8.572 ( 2.243 0.447 0.280) 2.304 8.580 ( 2.972 -0.260 -0.815) 3.093 9.042 ( 1.217 0.759 -3.146) 3.457 9.060 ( 1.018 -1.087 -2.883) 3.245 9.135 ( 0.077 0.821 0.985) 1.285 9.147 ( -0.012 -0.429 1.270) 1.340 9.526 ( -2.021 0.106 -3.765) 4.275 9.534 ( -1.905 -0.579 -3.299) 3.853 9.707 ( -3.172 3.702 -2.421) 5.443 9.784 ( -3.963 -3.867 -0.595) 5.569 9.961 ( -4.306 0.709 1.948) 4.779 9.977 ( -3.841 -0.462 1.338) 4.093 10.088 ( -4.496 0.463 2.939) 5.392 10.096 ( -4.590 -0.075 3.043) 5.508 ======================= Grid point 122 (73/74) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 2.081 1.159 0.092) 2.384 1.301 ( 5.926 -1.327 -2.782) 6.680 1.426 ( 4.526 2.149 -7.843) 9.307 1.523 ( 5.545 -7.263 -6.927) 11.466 1.593 ( -1.920 5.614 -3.615) 6.948 1.689 ( -2.754 -3.794 -6.894) 8.337 1.784 ( 5.915 2.321 -4.691) 7.898 1.826 ( 4.811 -2.157 -2.279) 5.744 1.942 ( 3.699 2.358 -1.085) 4.519 1.978 ( 5.334 0.472 -3.601) 6.453 1.994 ( 2.773 1.359 3.825) 4.916 2.032 ( 1.528 0.030 3.098) 3.455 2.099 ( -0.182 3.632 3.117) 4.790 2.146 ( 0.999 1.245 2.186) 2.707 2.270 ( 3.136 -1.526 -1.534) 3.810 2.296 ( 1.385 -2.784 -4.576) 5.533 2.381 ( 3.521 -0.680 2.365) 4.296 2.399 ( 3.639 -2.769 4.327) 6.296 2.520 ( 4.082 2.113 1.638) 4.880 2.562 ( 3.203 -1.627 1.740) 3.992 2.663 ( 5.038 1.671 4.407) 6.899 2.703 ( 4.739 -2.099 1.904) 5.521 2.771 ( 3.471 1.972 -3.843) 5.541 2.824 ( 2.902 -0.301 0.220) 2.925 2.862 ( 5.353 0.627 1.429) 5.575 2.910 ( 3.812 -2.842 3.536) 5.925 3.039 ( 3.146 2.604 -1.891) 4.500 3.052 ( 1.537 2.691 3.842) 4.936 3.122 ( 6.792 -0.406 0.370) 6.815 3.144 ( 6.482 -0.667 1.594) 6.709 3.189 ( 10.397 -0.478 3.957) 11.135 3.203 ( 6.160 -1.683 6.873) 9.382 3.326 ( 18.659 3.523 1.028) 19.016 3.390 ( 21.000 -3.242 1.225) 21.284 3.417 ( 9.908 -0.745 -2.350) 10.210 3.434 ( 8.537 -2.253 -4.173) 9.766 3.553 ( 9.719 1.122 -4.597) 10.810 3.573 ( 8.508 -0.538 -4.736) 9.752 3.674 ( 1.918 2.103 1.508) 3.221 3.712 ( 4.557 -1.717 0.962) 4.964 3.861 ( 10.653 1.359 -2.679) 11.068 3.883 ( 12.322 -0.800 -3.555) 12.850 3.905 ( 15.783 4.669 -1.668) 16.544 3.993 ( 14.352 -4.016 0.191) 14.905 4.291 ( 4.714 0.910 3.067) 5.697 4.297 ( 5.524 2.981 -2.947) 6.934 4.320 ( 6.154 1.446 3.283) 7.123 4.408 ( 5.085 -4.584 1.019) 6.922 4.802 ( -9.048 0.481 1.741) 9.227 4.810 ( -8.966 -0.269 1.971) 9.184 4.936 ( -10.587 -0.054 0.536) 10.601 4.939 ( -10.405 -0.281 0.132) 10.409 5.034 ( -4.525 1.640 -2.738) 5.537 5.069 ( -4.346 -1.816 -2.032) 5.129 5.135 ( -4.528 0.755 -1.694) 4.893 5.151 ( -4.698 -0.769 -2.914) 5.582 5.463 ( -10.017 1.089 -0.264) 10.079 5.480 ( -12.290 -0.557 -0.203) 12.305 5.566 ( -11.683 0.459 -1.244) 11.758 5.579 ( -8.898 -0.637 -1.205) 9.001 5.753 ( -1.294 0.427 1.506) 2.031 5.774 ( -1.453 -1.567 1.869) 2.840 5.876 ( -5.400 3.608 2.075) 6.818 5.936 ( -4.738 -2.470 2.107) 5.743 7.836 ( 1.443 0.871 2.054) 2.657 7.857 ( 1.668 -1.245 0.732) 2.206 7.903 ( 1.686 1.080 -0.764) 2.143 7.921 ( 1.554 -0.714 -2.328) 2.889 8.584 ( -1.411 0.401 6.037) 6.212 8.593 ( -1.015 -0.559 5.397) 5.520 8.616 ( 2.929 0.531 -1.413) 3.296 8.625 ( 3.195 -0.385 -1.690) 3.636 9.044 ( 1.895 0.398 -1.453) 2.421 9.056 ( 1.409 -0.836 -1.606) 2.294 9.138 ( -0.512 0.796 0.190) 0.965 9.149 ( -0.843 -0.316 0.328) 0.958 9.460 ( -1.445 0.503 -2.534) 2.960 9.472 ( -1.422 -0.571 -2.493) 2.926 9.621 ( -2.861 2.542 -2.591) 4.621 9.679 ( -3.967 -3.148 -3.990) 6.448 9.907 ( -3.921 0.916 2.007) 4.499 9.920 ( -3.322 -0.121 0.339) 3.341 10.051 ( -2.594 0.171 2.148) 3.372 10.057 ( -3.183 -0.289 2.763) 4.225 ======================= Grid point 123 (74/74) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 3.447 1.006 1.912) 4.068 1.369 ( 2.344 -2.562 0.181) 3.478 1.468 ( 2.758 2.630 -0.148) 3.814 1.498 ( -0.941 2.490 -4.615) 5.328 1.540 ( -0.236 -1.974 -2.994) 3.594 1.569 ( -0.480 -3.394 -5.782) 6.721 1.823 ( 2.224 0.740 -1.853) 2.988 1.839 ( -0.969 -0.929 0.482) 1.426 1.996 ( 6.328 2.403 -5.115) 8.485 2.019 ( 0.374 0.762 1.386) 1.625 2.037 ( 0.213 1.768 2.336) 2.937 2.068 ( -2.287 -0.104 1.639) 2.816 2.135 ( 1.299 0.192 0.695) 1.486 2.156 ( -2.088 -0.862 1.759) 2.863 2.292 ( 2.722 0.391 -1.340) 3.059 2.307 ( 0.765 -1.064 -0.340) 1.354 2.446 ( 1.793 0.497 0.563) 1.943 2.458 ( -0.079 -0.460 1.497) 1.568 2.603 ( 2.250 -1.040 1.498) 2.897 2.615 ( 1.008 -1.509 0.885) 2.019 2.712 ( 1.552 -1.296 -1.089) 2.296 2.732 ( 0.588 -2.635 -2.391) 3.606 2.839 ( 3.751 2.127 2.244) 4.861 2.885 ( 0.177 -1.824 2.261) 2.910 2.928 ( 1.353 4.765 2.007) 5.344 2.987 ( 0.223 2.703 -2.368) 3.601 3.024 ( 1.030 -1.555 1.795) 2.588 3.065 ( -0.133 -1.861 -1.820) 2.606 3.159 ( -0.478 1.366 2.962) 3.296 3.180 ( -1.230 -0.538 1.074) 1.719 3.294 ( 0.183 0.522 2.428) 2.490 3.310 ( 0.773 -1.041 -1.353) 1.874 3.534 ( 3.274 1.442 2.567) 4.404 3.560 ( 2.792 -1.098 -1.904) 3.553 3.595 ( 3.090 -0.118 0.337) 3.111 3.596 ( 1.846 -0.219 1.454) 2.360 3.695 ( 8.511 0.375 -0.619) 8.541 3.703 ( 11.416 -0.502 -4.516) 12.287 3.892 ( 15.441 0.344 0.472) 15.452 3.907 ( 13.397 -1.018 -1.084) 13.479 4.047 ( 9.489 0.843 -0.015) 9.527 4.059 ( 9.256 -0.148 -0.067) 9.257 4.156 ( 9.221 2.125 -1.772) 9.628 4.190 ( 5.978 -1.138 -0.970) 6.162 4.411 ( 4.375 -0.450 -0.873) 4.484 4.416 ( 5.572 -0.945 0.157) 5.654 4.481 ( 8.441 1.434 1.800) 8.750 4.498 ( 4.053 0.091 2.179) 4.602 4.627 ( -10.702 0.699 0.687) 10.747 4.652 ( -9.068 -1.695 0.423) 9.235 4.730 ( -8.195 0.873 -0.748) 8.275 4.745 ( -7.538 -0.506 -0.121) 7.556 4.965 ( -2.572 -0.234 0.200) 2.591 4.973 ( -4.731 -1.090 0.364) 4.868 5.024 ( -5.825 0.747 -0.825) 5.930 5.032 ( -5.744 0.006 -0.417) 5.759 5.298 ( -4.629 0.376 -0.123) 4.646 5.305 ( -4.697 -0.252 -0.936) 4.796 5.372 ( -6.118 1.399 -1.413) 6.433 5.403 ( -7.621 -1.581 -1.928) 8.018 5.762 ( 0.710 1.255 0.637) 1.576 5.779 ( -0.468 0.462 0.715) 0.971 5.835 ( -0.882 0.874 1.475) 1.928 5.872 ( -3.919 -2.140 0.988) 4.573 7.869 ( 0.022 0.407 1.697) 1.745 7.876 ( 1.012 -0.222 -1.294) 1.657 7.921 ( -0.420 0.030 1.666) 1.719 7.924 ( 1.360 -0.210 -2.051) 2.470 8.618 ( -1.649 0.391 5.161) 5.432 8.625 ( 0.068 -0.309 1.451) 1.485 8.639 ( 0.672 0.308 0.155) 0.755 8.647 ( 2.387 -0.409 -3.564) 4.309 9.073 ( 1.646 -0.128 0.247) 1.669 9.077 ( 1.539 -0.548 0.005) 1.634 9.121 ( -0.985 0.586 -0.505) 1.252 9.126 ( -1.445 -0.001 -0.317) 1.479 9.426 ( -0.371 0.614 -0.563) 0.912 9.433 ( -0.675 0.048 -1.184) 1.364 9.570 ( -0.891 0.441 -0.237) 1.022 9.590 ( -1.512 -1.433 -2.951) 3.612 9.872 ( -1.595 0.512 1.025) 1.964 9.877 ( -1.259 0.114 -0.337) 1.308 10.038 ( -0.688 -0.022 0.664) 0.956 10.040 ( -1.236 -0.186 1.221) 1.748 =================== 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 3/18144 10.0 105.848 91.949 180.370 0.000 10.015 0.000 3/18144 20.0 20.529 11.175 25.538 0.000 1.227 0.000 3/18144 30.0 10.382 4.480 10.770 0.000 0.562 0.000 3/18144 40.0 7.079 2.682 6.516 0.000 0.351 0.000 3/18144 50.0 5.463 1.904 4.625 0.000 0.251 0.000 3/18144 60.0 4.490 1.478 3.580 0.000 0.194 0.000 3/18144 70.0 3.829 1.211 2.922 0.000 0.157 0.000 3/18144 80.0 3.346 1.028 2.473 0.000 0.132 0.000 3/18144 90.0 2.975 0.894 2.147 0.000 0.113 0.000 3/18144 100.0 2.680 0.793 1.900 0.000 0.099 0.000 3/18144 110.0 2.440 0.713 1.707 0.000 0.088 0.000 3/18144 120.0 2.240 0.648 1.551 0.000 0.079 0.000 3/18144 130.0 2.071 0.594 1.422 0.000 0.071 0.000 3/18144 140.0 1.926 0.549 1.314 0.000 0.065 0.000 3/18144 150.0 1.800 0.511 1.222 0.000 0.060 0.000 3/18144 160.0 1.690 0.477 1.143 0.000 0.055 0.000 3/18144 170.0 1.593 0.448 1.073 0.000 0.051 0.000 3/18144 180.0 1.506 0.423 1.012 0.000 0.048 0.000 3/18144 190.0 1.429 0.400 0.958 0.000 0.045 0.000 3/18144 200.0 1.359 0.380 0.909 0.000 0.043 0.000 3/18144 210.0 1.295 0.361 0.866 0.000 0.040 0.000 3/18144 220.0 1.237 0.344 0.826 0.000 0.038 0.000 3/18144 230.0 1.185 0.329 0.790 0.000 0.036 0.000 3/18144 240.0 1.136 0.315 0.757 0.000 0.035 0.000 3/18144 250.0 1.092 0.303 0.727 0.000 0.033 0.000 3/18144 260.0 1.050 0.291 0.699 0.000 0.032 0.000 3/18144 270.0 1.012 0.280 0.673 0.000 0.030 0.000 3/18144 280.0 0.977 0.270 0.649 0.000 0.029 0.000 3/18144 290.0 0.943 0.261 0.627 0.000 0.028 0.000 3/18144 300.0 0.913 0.252 0.606 0.000 0.027 0.000 3/18144 310.0 0.884 0.244 0.586 0.000 0.026 0.000 3/18144 320.0 0.856 0.236 0.568 0.000 0.025 0.000 3/18144 330.0 0.831 0.229 0.551 0.000 0.024 0.000 3/18144 340.0 0.807 0.222 0.535 0.000 0.024 0.000 3/18144 350.0 0.784 0.216 0.520 0.000 0.023 0.000 3/18144 360.0 0.762 0.210 0.505 0.000 0.022 0.000 3/18144 370.0 0.742 0.204 0.492 0.000 0.022 0.000 3/18144 380.0 0.723 0.199 0.479 0.000 0.021 0.000 3/18144 390.0 0.705 0.194 0.467 0.000 0.020 0.000 3/18144 400.0 0.687 0.189 0.455 0.000 0.020 0.000 3/18144 410.0 0.671 0.184 0.444 0.000 0.019 0.000 3/18144 420.0 0.655 0.180 0.434 0.000 0.019 0.000 3/18144 430.0 0.640 0.176 0.424 0.000 0.018 0.000 3/18144 440.0 0.625 0.172 0.414 0.000 0.018 0.000 3/18144 450.0 0.612 0.168 0.405 0.000 0.018 0.000 3/18144 460.0 0.598 0.164 0.396 0.000 0.017 0.000 3/18144 470.0 0.586 0.161 0.388 0.000 0.017 0.000 3/18144 480.0 0.574 0.158 0.380 0.000 0.016 0.000 3/18144 490.0 0.562 0.154 0.372 0.000 0.016 0.000 3/18144 500.0 0.551 0.151 0.365 0.000 0.016 0.000 3/18144 510.0 0.540 0.148 0.358 0.000 0.015 0.000 3/18144 520.0 0.530 0.145 0.351 0.000 0.015 0.000 3/18144 530.0 0.520 0.143 0.344 0.000 0.015 0.000 3/18144 540.0 0.511 0.140 0.338 0.000 0.015 0.000 3/18144 550.0 0.501 0.138 0.332 0.000 0.014 0.000 3/18144 560.0 0.492 0.135 0.326 0.000 0.014 0.000 3/18144 570.0 0.484 0.133 0.320 0.000 0.014 0.000 3/18144 580.0 0.476 0.130 0.315 0.000 0.013 0.000 3/18144 590.0 0.468 0.128 0.309 0.000 0.013 0.000 3/18144 600.0 0.460 0.126 0.304 0.000 0.013 0.000 3/18144 610.0 0.452 0.124 0.299 0.000 0.013 0.000 3/18144 620.0 0.445 0.122 0.295 0.000 0.013 0.000 3/18144 630.0 0.438 0.120 0.290 0.000 0.012 0.000 3/18144 640.0 0.431 0.118 0.285 0.000 0.012 0.000 3/18144 650.0 0.425 0.116 0.281 0.000 0.012 0.000 3/18144 660.0 0.418 0.115 0.277 0.000 0.012 0.000 3/18144 670.0 0.412 0.113 0.273 0.000 0.012 0.000 3/18144 680.0 0.406 0.111 0.269 0.000 0.011 0.000 3/18144 690.0 0.400 0.110 0.265 0.000 0.011 0.000 3/18144 700.0 0.395 0.108 0.261 0.000 0.011 0.000 3/18144 710.0 0.389 0.107 0.257 0.000 0.011 0.000 3/18144 720.0 0.384 0.105 0.254 0.000 0.011 0.000 3/18144 730.0 0.378 0.104 0.250 0.000 0.011 0.000 3/18144 740.0 0.373 0.102 0.247 0.000 0.011 0.000 3/18144 750.0 0.368 0.101 0.244 0.000 0.010 0.000 3/18144 760.0 0.364 0.100 0.241 0.000 0.010 0.000 3/18144 770.0 0.359 0.098 0.237 0.000 0.010 0.000 3/18144 780.0 0.354 0.097 0.234 0.000 0.010 0.000 3/18144 790.0 0.350 0.096 0.232 0.000 0.010 0.000 3/18144 800.0 0.346 0.095 0.229 0.000 0.010 0.000 3/18144 810.0 0.341 0.093 0.226 0.000 0.010 0.000 3/18144 820.0 0.337 0.092 0.223 0.000 0.009 0.000 3/18144 830.0 0.333 0.091 0.220 0.000 0.009 0.000 3/18144 840.0 0.329 0.090 0.218 0.000 0.009 0.000 3/18144 850.0 0.325 0.089 0.215 0.000 0.009 0.000 3/18144 860.0 0.322 0.088 0.213 0.000 0.009 0.000 3/18144 870.0 0.318 0.087 0.210 0.000 0.009 0.000 3/18144 880.0 0.314 0.086 0.208 0.000 0.009 0.000 3/18144 890.0 0.311 0.085 0.206 0.000 0.009 0.000 3/18144 900.0 0.307 0.084 0.203 0.000 0.009 0.000 3/18144 910.0 0.304 0.083 0.201 0.000 0.009 0.000 3/18144 920.0 0.301 0.082 0.199 0.000 0.008 0.000 3/18144 930.0 0.297 0.081 0.197 0.000 0.008 0.000 3/18144 940.0 0.294 0.081 0.195 0.000 0.008 0.000 3/18144 950.0 0.291 0.080 0.193 0.000 0.008 0.000 3/18144 960.0 0.288 0.079 0.191 0.000 0.008 0.000 3/18144 970.0 0.285 0.078 0.189 0.000 0.008 0.000 3/18144 980.0 0.282 0.077 0.187 0.000 0.008 0.000 3/18144 990.0 0.279 0.077 0.185 0.000 0.008 0.000 3/18144 1000.0 0.277 0.076 0.183 0.000 0.008 0.000 3/18144 Thermal conductivity related properties were written into "kappa-m938.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:10:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|