----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:15:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.922459260708857 0.000000000000000 0.000000000000000 b 0.000000000000000 6.385747009999999 0.000000000000000 c -4.674301489844711 0.000000000000000 9.039035379889993 Atomic positions (fractional): *1 Li 0.39101465311133 0.25675310567725 0.52259224204882 6.941 *2 Li 0.29568230530831 0.55967223452933 0.33147368826072 6.941 3 Li 0.60898534688867 0.75675310567725 0.97740775795118 6.941 *4 Li 0.15846088988704 0.77614285629196 0.45167246033541 6.941 5 Li 0.29568230530831 0.94032776547067 0.83147368826072 6.941 6 Li 0.84153911011296 0.27614285629196 0.04832753966459 6.941 7 Li 0.15846088988704 0.72385714370804 0.95167246033541 6.941 8 Li 0.70431769469169 0.05967223452933 0.16852631173928 6.941 9 Li 0.84153911011296 0.22385714370804 0.54832753966459 6.941 10 Li 0.39101465311133 0.24324689432275 0.02259224204882 6.941 11 Li 0.70431769469169 0.44032776547067 0.66852631173928 6.941 12 Li 0.60898534688867 0.74324689432275 0.47740775795118 6.941 *13 Bi 0.18872878426029 0.02451289942955 0.20063569318642 208.980 14 Bi 0.18872878426029 0.47548710057045 0.70063569318642 208.980 15 Bi 0.81127121573971 0.52451289942955 0.29936430681358 208.980 16 Bi 0.81127121573971 0.97548710057045 0.79936430681358 208.980 *17 B 0.54159293627050 0.16751792073969 0.82726420878914 10.811 18 B 0.45840706372950 0.66751792073969 0.67273579121086 10.811 *19 B 0.95082391389780 0.66344289756851 0.10706982372744 10.811 20 B 0.04917608610220 0.16344289756851 0.39293017627256 10.811 21 B 0.95082391389780 0.83655710243149 0.60706982372744 10.811 22 B 0.04917608610220 0.33655710243149 0.89293017627256 10.811 23 B 0.54159293627050 0.33248207926031 0.32726420878914 10.811 24 B 0.45840706372950 0.83248207926031 0.17273579121086 10.811 *25 O 0.61200816381486 0.71265768479377 0.67744806861250 15.999 *26 O 0.58232304578547 0.21616458661584 0.71423608458548 15.999 *27 O 0.66409152748731 0.06201486040170 0.95023375144300 15.999 28 O 0.33590847251269 0.56201486040170 0.54976624855700 15.999 29 O 0.41767695421453 0.71616458661584 0.78576391541452 15.999 *30 O 0.99245870960028 0.77158007444858 0.01100681358455 15.999 *31 O 0.20322343781481 0.06542213320346 0.44068259767210 15.999 32 O 0.38799183618514 0.21265768479377 0.82255193138750 15.999 *33 O 0.06542458117404 0.66599120367728 0.25611013734071 15.999 34 O 0.93457541882596 0.16599120367728 0.24388986265929 15.999 35 O 0.79677656218519 0.56542213320346 0.05931740232790 15.999 36 O 0.00754129039972 0.27158007444858 0.48899318641545 15.999 37 O 0.99245870960028 0.72841992555142 0.51100681358455 15.999 38 O 0.20322343781481 0.43457786679654 0.94068259767210 15.999 39 O 0.06542458117404 0.83400879632272 0.75611013734071 15.999 40 O 0.93457541882596 0.33400879632272 0.74388986265929 15.999 41 O 0.61200816381486 0.78734231520623 0.17744806861250 15.999 42 O 0.79677656218519 0.93457786679654 0.55931740232790 15.999 43 O 0.00754129039972 0.22841992555142 0.98899318641545 15.999 44 O 0.58232304578547 0.28383541338416 0.21423608458547 15.999 45 O 0.66409152748731 0.43798513959830 0.45023375144300 15.999 46 O 0.33590847251269 0.93798513959830 0.04976624855700 15.999 47 O 0.41767695421453 0.78383541338416 0.28576391541453 15.999 48 O 0.38799183618514 0.28734231520623 0.32255193138750 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.922459260708857 0.000000000000000 0.000000000000000 b 0.000000000000000 6.385747009999999 0.000000000000000 c -4.674301489844711 0.000000000000000 9.039035379889993 Atomic positions (fractional): *1 Li 0.39101465311133 0.25675310567725 0.52259224204882 6.941 > 1 *2 Li 0.29568230530831 0.55967223452933 0.33147368826072 6.941 > 2 3 Li 0.60898534688867 0.75675310567725 0.97740775795118 6.941 > 3 *4 Li 0.15846088988704 0.77614285629196 0.45167246033541 6.941 > 4 5 Li 0.29568230530831 0.94032776547067 0.83147368826072 6.941 > 5 6 Li 0.84153911011296 0.27614285629196 0.04832753966459 6.941 > 6 7 Li 0.15846088988704 0.72385714370804 0.95167246033541 6.941 > 7 8 Li 0.70431769469169 0.05967223452933 0.16852631173928 6.941 > 8 9 Li 0.84153911011296 0.22385714370804 0.54832753966459 6.941 > 9 10 Li 0.39101465311133 0.24324689432275 0.02259224204882 6.941 > 10 11 Li 0.70431769469169 0.44032776547067 0.66852631173928 6.941 > 11 12 Li 0.60898534688867 0.74324689432275 0.47740775795118 6.941 > 12 *13 Bi 0.18872878426029 0.02451289942955 0.20063569318642 208.980 > 13 14 Bi 0.18872878426029 0.47548710057045 0.70063569318642 208.980 > 14 15 Bi 0.81127121573971 0.52451289942955 0.29936430681358 208.980 > 15 16 Bi 0.81127121573971 0.97548710057045 0.79936430681358 208.980 > 16 *17 B 0.54159293627050 0.16751792073969 0.82726420878914 10.811 > 17 18 B 0.45840706372950 0.66751792073969 0.67273579121086 10.811 > 18 *19 B 0.95082391389780 0.66344289756851 0.10706982372744 10.811 > 19 20 B 0.04917608610220 0.16344289756851 0.39293017627256 10.811 > 20 21 B 0.95082391389780 0.83655710243149 0.60706982372744 10.811 > 21 22 B 0.04917608610220 0.33655710243149 0.89293017627256 10.811 > 22 23 B 0.54159293627050 0.33248207926031 0.32726420878914 10.811 > 23 24 B 0.45840706372950 0.83248207926031 0.17273579121086 10.811 > 24 *25 O 0.61200816381486 0.71265768479377 0.67744806861250 15.999 > 25 *26 O 0.58232304578547 0.21616458661584 0.71423608458548 15.999 > 26 *27 O 0.66409152748731 0.06201486040170 0.95023375144300 15.999 > 27 28 O 0.33590847251269 0.56201486040170 0.54976624855700 15.999 > 28 29 O 0.41767695421453 0.71616458661584 0.78576391541452 15.999 > 29 *30 O 0.99245870960028 0.77158007444858 0.01100681358455 15.999 > 30 *31 O 0.20322343781481 0.06542213320346 0.44068259767210 15.999 > 31 32 O 0.38799183618514 0.21265768479377 0.82255193138750 15.999 > 32 *33 O 0.06542458117404 0.66599120367728 0.25611013734071 15.999 > 33 34 O 0.93457541882596 0.16599120367728 0.24388986265929 15.999 > 34 35 O 0.79677656218519 0.56542213320346 0.05931740232790 15.999 > 35 36 O 0.00754129039972 0.27158007444858 0.48899318641545 15.999 > 36 37 O 0.99245870960028 0.72841992555142 0.51100681358455 15.999 > 37 38 O 0.20322343781481 0.43457786679654 0.94068259767210 15.999 > 38 39 O 0.06542458117404 0.83400879632272 0.75611013734071 15.999 > 39 40 O 0.93457541882596 0.33400879632272 0.74388986265929 15.999 > 40 41 O 0.61200816381486 0.78734231520623 0.17744806861250 15.999 > 41 42 O 0.79677656218519 0.93457786679654 0.55931740232790 15.999 > 42 43 O 0.00754129039972 0.22841992555142 0.98899318641545 15.999 > 43 44 O 0.58232304578547 0.28383541338416 0.21423608458547 15.999 > 44 45 O 0.66409152748731 0.43798513959830 0.45023375144300 15.999 > 45 46 O 0.33590847251269 0.93798513959830 0.04976624855700 15.999 > 46 47 O 0.41767695421453 0.78383541338416 0.28576391541453 15.999 > 47 48 O 0.38799183618514 0.28734231520623 0.32255193138750 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.922459260708857 0.000000000000000 0.000000000000000 b 0.000000000000000 12.771494019999999 0.000000000000000 c -4.674301489844711 0.000000000000000 9.039035379889993 Atomic positions (fractional): *1 Li 0.39101465311133 0.12837655283862 0.52259224204882 6.941 > 1 2 Li 0.39101465311133 0.62837655283862 0.52259224204882 6.941 > 1 *3 Li 0.29568230530831 0.27983611726466 0.33147368826072 6.941 > 2 4 Li 0.29568230530831 0.77983611726466 0.33147368826072 6.941 > 2 5 Li 0.60898534688867 0.37837655283862 0.97740775795118 6.941 > 3 6 Li 0.60898534688867 0.87837655283862 0.97740775795118 6.941 > 3 *7 Li 0.15846088988704 0.38807142814598 0.45167246033541 6.941 > 4 8 Li 0.15846088988704 0.88807142814598 0.45167246033541 6.941 > 4 9 Li 0.29568230530831 0.47016388273534 0.83147368826072 6.941 > 5 10 Li 0.29568230530831 0.97016388273534 0.83147368826072 6.941 > 5 11 Li 0.84153911011296 0.13807142814598 0.04832753966459 6.941 > 6 12 Li 0.84153911011296 0.63807142814598 0.04832753966459 6.941 > 6 13 Li 0.15846088988704 0.36192857185402 0.95167246033541 6.941 > 7 14 Li 0.15846088988704 0.86192857185402 0.95167246033541 6.941 > 7 15 Li 0.70431769469169 0.02983611726466 0.16852631173928 6.941 > 8 16 Li 0.70431769469169 0.52983611726466 0.16852631173928 6.941 > 8 17 Li 0.84153911011296 0.11192857185402 0.54832753966459 6.941 > 9 18 Li 0.84153911011296 0.61192857185402 0.54832753966459 6.941 > 9 19 Li 0.39101465311133 0.12162344716138 0.02259224204882 6.941 > 10 20 Li 0.39101465311133 0.62162344716138 0.02259224204882 6.941 > 10 21 Li 0.70431769469169 0.22016388273534 0.66852631173928 6.941 > 11 22 Li 0.70431769469169 0.72016388273534 0.66852631173928 6.941 > 11 23 Li 0.60898534688867 0.37162344716138 0.47740775795118 6.941 > 12 24 Li 0.60898534688867 0.87162344716138 0.47740775795118 6.941 > 12 *25 Bi 0.18872878426029 0.01225644971478 0.20063569318642 208.980 > 13 26 Bi 0.18872878426029 0.51225644971478 0.20063569318642 208.980 > 13 27 Bi 0.18872878426029 0.23774355028523 0.70063569318642 208.980 > 14 28 Bi 0.18872878426029 0.73774355028522 0.70063569318642 208.980 > 14 29 Bi 0.81127121573971 0.26225644971478 0.29936430681358 208.980 > 15 30 Bi 0.81127121573971 0.76225644971478 0.29936430681358 208.980 > 15 31 Bi 0.81127121573971 0.48774355028522 0.79936430681358 208.980 > 16 32 Bi 0.81127121573971 0.98774355028522 0.79936430681358 208.980 > 16 *33 B 0.54159293627050 0.08375896036984 0.82726420878914 10.811 > 17 34 B 0.54159293627050 0.58375896036984 0.82726420878914 10.811 > 17 35 B 0.45840706372950 0.33375896036984 0.67273579121086 10.811 > 18 36 B 0.45840706372950 0.83375896036984 0.67273579121086 10.811 > 18 *37 B 0.95082391389780 0.33172144878426 0.10706982372744 10.811 > 19 38 B 0.95082391389780 0.83172144878426 0.10706982372744 10.811 > 19 39 B 0.04917608610220 0.08172144878426 0.39293017627256 10.811 > 20 40 B 0.04917608610220 0.58172144878426 0.39293017627256 10.811 > 20 41 B 0.95082391389780 0.41827855121574 0.60706982372744 10.811 > 21 42 B 0.95082391389780 0.91827855121574 0.60706982372744 10.811 > 21 43 B 0.04917608610220 0.16827855121574 0.89293017627256 10.811 > 22 44 B 0.04917608610220 0.66827855121574 0.89293017627256 10.811 > 22 45 B 0.54159293627050 0.16624103963016 0.32726420878914 10.811 > 23 46 B 0.54159293627050 0.66624103963016 0.32726420878914 10.811 > 23 47 B 0.45840706372950 0.41624103963016 0.17273579121086 10.811 > 24 48 B 0.45840706372950 0.91624103963016 0.17273579121086 10.811 > 24 *49 O 0.61200816381486 0.35632884239688 0.67744806861250 15.999 > 25 50 O 0.61200816381486 0.85632884239688 0.67744806861250 15.999 > 25 *51 O 0.58232304578547 0.10808229330792 0.71423608458548 15.999 > 26 52 O 0.58232304578547 0.60808229330792 0.71423608458548 15.999 > 26 *53 O 0.66409152748731 0.03100743020085 0.95023375144300 15.999 > 27 54 O 0.66409152748731 0.53100743020085 0.95023375144300 15.999 > 27 55 O 0.33590847251269 0.28100743020085 0.54976624855700 15.999 > 28 56 O 0.33590847251269 0.78100743020085 0.54976624855700 15.999 > 28 57 O 0.41767695421453 0.35808229330792 0.78576391541452 15.999 > 29 58 O 0.41767695421453 0.85808229330792 0.78576391541452 15.999 > 29 *59 O 0.99245870960028 0.38579003722429 0.01100681358455 15.999 > 30 60 O 0.99245870960028 0.88579003722429 0.01100681358455 15.999 > 30 *61 O 0.20322343781481 0.03271106660173 0.44068259767210 15.999 > 31 62 O 0.20322343781481 0.53271106660173 0.44068259767210 15.999 > 31 63 O 0.38799183618514 0.10632884239688 0.82255193138750 15.999 > 32 64 O 0.38799183618514 0.60632884239688 0.82255193138750 15.999 > 32 *65 O 0.06542458117404 0.33299560183864 0.25611013734071 15.999 > 33 66 O 0.06542458117404 0.83299560183864 0.25611013734071 15.999 > 33 67 O 0.93457541882596 0.08299560183864 0.24388986265929 15.999 > 34 68 O 0.93457541882596 0.58299560183864 0.24388986265929 15.999 > 34 69 O 0.79677656218519 0.28271106660173 0.05931740232790 15.999 > 35 70 O 0.79677656218519 0.78271106660173 0.05931740232790 15.999 > 35 71 O 0.00754129039972 0.13579003722429 0.48899318641545 15.999 > 36 72 O 0.00754129039972 0.63579003722429 0.48899318641545 15.999 > 36 73 O 0.99245870960028 0.36420996277571 0.51100681358455 15.999 > 37 74 O 0.99245870960028 0.86420996277571 0.51100681358455 15.999 > 37 75 O 0.20322343781481 0.21728893339827 0.94068259767210 15.999 > 38 76 O 0.20322343781481 0.71728893339827 0.94068259767210 15.999 > 38 77 O 0.06542458117404 0.41700439816136 0.75611013734071 15.999 > 39 78 O 0.06542458117404 0.91700439816136 0.75611013734071 15.999 > 39 79 O 0.93457541882596 0.16700439816136 0.74388986265929 15.999 > 40 80 O 0.93457541882596 0.66700439816136 0.74388986265929 15.999 > 40 81 O 0.61200816381486 0.39367115760312 0.17744806861250 15.999 > 41 82 O 0.61200816381486 0.89367115760312 0.17744806861250 15.999 > 41 83 O 0.79677656218519 0.46728893339827 0.55931740232790 15.999 > 42 84 O 0.79677656218519 0.96728893339827 0.55931740232790 15.999 > 42 85 O 0.00754129039972 0.11420996277571 0.98899318641545 15.999 > 43 86 O 0.00754129039972 0.61420996277571 0.98899318641545 15.999 > 43 87 O 0.58232304578547 0.14191770669208 0.21423608458547 15.999 > 44 88 O 0.58232304578547 0.64191770669208 0.21423608458547 15.999 > 44 89 O 0.66409152748731 0.21899256979915 0.45023375144300 15.999 > 45 90 O 0.66409152748731 0.71899256979915 0.45023375144300 15.999 > 45 91 O 0.33590847251269 0.46899256979915 0.04976624855700 15.999 > 46 92 O 0.33590847251269 0.96899256979915 0.04976624855700 15.999 > 46 93 O 0.41767695421453 0.39191770669208 0.28576391541453 15.999 > 47 94 O 0.41767695421453 0.89191770669208 0.28576391541453 15.999 > 47 95 O 0.38799183618514 0.14367115760312 0.32255193138750 15.999 > 48 96 O 0.38799183618514 0.64367115760312 0.32255193138750 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9869776 0.0000000 -0.0874773 0.0000000 3.4623582 0.0000000 -0.0874766 0.0000000 3.5232757 -------------------------- Born effective charges -------------------------- 1 Li 1.0296700 -0.0108960 0.0716936 -0.0630997 0.9493457 -0.0064975 0.0439866 0.1943099 1.2470514 2 Li 1.0731956 -0.1531133 -0.0369076 -0.0845437 1.1377645 -0.1049994 -0.0810261 -0.0501286 1.1254477 3 Li 1.0296700 0.0108960 0.0716936 0.0630997 0.9493457 0.0064975 0.0439866 -0.1943099 1.2470514 4 Li 0.8775522 0.0773956 -0.0135578 0.0844746 1.0099647 -0.1886647 -0.0351475 -0.2300432 1.0950714 5 Li 1.0731956 0.1531133 -0.0369076 0.0845437 1.1377645 0.1049994 -0.0810261 0.0501286 1.1254477 6 Li 0.8775522 -0.0773956 -0.0135578 -0.0844746 1.0099647 0.1886647 -0.0351475 0.2300432 1.0950714 7 Li 0.8775522 -0.0773956 -0.0135578 -0.0844746 1.0099647 0.1886647 -0.0351475 0.2300432 1.0950714 8 Li 1.0731956 0.1531133 -0.0369076 0.0845437 1.1377645 0.1049994 -0.0810261 0.0501286 1.1254477 9 Li 0.8775522 0.0773956 -0.0135578 0.0844746 1.0099647 -0.1886647 -0.0351475 -0.2300432 1.0950714 10 Li 1.0296700 0.0108960 0.0716936 0.0630997 0.9493457 0.0064975 0.0439866 -0.1943099 1.2470514 11 Li 1.0731956 -0.1531133 -0.0369076 -0.0845437 1.1377645 -0.1049994 -0.0810261 -0.0501286 1.1254477 12 Li 1.0296700 -0.0108960 0.0716936 -0.0630997 0.9493457 -0.0064975 0.0439866 0.1943099 1.2470514 13 Bi 4.8194237 0.3796130 -0.0659982 -0.3778291 4.0854132 0.5717399 -0.0184403 0.1559072 4.4470139 14 Bi 4.8194237 -0.3796130 -0.0659982 0.3778291 4.0854132 -0.5717399 -0.0184403 -0.1559072 4.4470139 15 Bi 4.8194237 -0.3796130 -0.0659982 0.3778291 4.0854132 -0.5717399 -0.0184403 -0.1559072 4.4470139 16 Bi 4.8194237 0.3796130 -0.0659982 -0.3778291 4.0854132 0.5717399 -0.0184403 0.1559072 4.4470139 17 B 3.5302247 -0.2893852 -0.2285929 -1.1444302 1.0053810 -0.3419349 0.4165439 -0.4332696 1.4764095 18 B 3.5302247 0.2893852 -0.2285929 1.1444302 1.0053810 0.3419349 0.4165439 0.4332696 1.4764095 19 B 2.0838948 0.9669949 -0.1125647 1.3927125 1.5318931 -0.2928864 -0.7102430 -0.5506697 1.9955612 20 B 2.0838948 -0.9669949 -0.1125647 -1.3927125 1.5318931 0.2928864 -0.7102430 0.5506697 1.9955612 21 B 2.0838948 -0.9669949 -0.1125647 -1.3927125 1.5318931 0.2928864 -0.7102430 0.5506697 1.9955612 22 B 2.0838948 0.9669949 -0.1125647 1.3927125 1.5318931 -0.2928864 -0.7102430 -0.5506697 1.9955612 23 B 3.5302247 0.2893852 -0.2285929 1.1444302 1.0053810 0.3419349 0.4165439 0.4332696 1.4764095 24 B 3.5302247 -0.2893852 -0.2285929 -1.1444302 1.0053810 -0.3419349 0.4165439 -0.4332696 1.4764095 25 O -3.1176261 -0.8938397 -0.3439794 -1.2055579 -1.6825388 -0.4637338 -0.4911241 -0.4330483 -1.1743264 26 O -2.3709097 0.3533131 0.3260542 0.6445562 -1.5293055 0.3723714 -0.0986665 0.4824716 -1.4862540 27 O -2.3482933 0.4140806 0.0442390 0.5368808 -1.4369389 0.2168348 0.0920924 0.1715941 -2.0670924 28 O -2.3482933 -0.4140806 0.0442390 -0.5368808 -1.4369389 -0.2168348 0.0920924 -0.1715941 -2.0670924 29 O -2.3709097 -0.3533131 0.3260542 -0.6445562 -1.5293055 -0.3723714 -0.0986665 -0.4824716 -1.4862540 30 O -1.5079456 -0.6420286 0.0945353 -0.4969627 -1.9870185 0.4616109 0.2425893 0.6044181 -2.6493269 31 O -1.9955146 0.3802631 0.2162430 0.7485262 -1.4157022 -0.0453280 0.4554450 -0.2116093 -1.8734135 32 O -3.1176261 0.8938397 -0.3439794 1.2055579 -1.6825388 0.4637338 -0.4911241 0.4330483 -1.1743264 33 O -2.0736717 -0.7979705 0.0488354 -0.8226588 -1.6682583 0.2577979 0.1839905 0.1823279 -2.1361420 34 O -2.0736717 0.7979705 0.0488354 0.8226588 -1.6682583 -0.2577979 0.1839905 -0.1823279 -2.1361420 35 O -1.9955146 -0.3802631 0.2162430 -0.7485262 -1.4157022 0.0453280 0.4554450 0.2116093 -1.8734135 36 O -1.5079456 0.6420286 0.0945353 0.4969627 -1.9870185 -0.4616109 0.2425893 -0.6044181 -2.6493269 37 O -1.5079456 0.6420286 0.0945353 0.4969627 -1.9870185 -0.4616109 0.2425893 -0.6044181 -2.6493269 38 O -1.9955146 -0.3802631 0.2162430 -0.7485262 -1.4157022 0.0453280 0.4554450 0.2116093 -1.8734135 39 O -2.0736717 0.7979705 0.0488354 0.8226588 -1.6682583 -0.2577979 0.1839905 -0.1823279 -2.1361420 40 O -2.0736717 -0.7979705 0.0488354 -0.8226588 -1.6682583 0.2577979 0.1839905 0.1823279 -2.1361420 41 O -3.1176261 0.8938397 -0.3439794 1.2055579 -1.6825388 0.4637338 -0.4911241 0.4330483 -1.1743264 42 O -1.9955146 0.3802631 0.2162430 0.7485262 -1.4157022 -0.0453280 0.4554450 -0.2116093 -1.8734135 43 O -1.5079456 -0.6420286 0.0945353 -0.4969627 -1.9870185 0.4616109 0.2425893 0.6044181 -2.6493269 44 O -2.3709097 -0.3533131 0.3260542 -0.6445562 -1.5293055 -0.3723714 -0.0986665 -0.4824716 -1.4862540 45 O -2.3482933 -0.4140806 0.0442390 -0.5368808 -1.4369389 -0.2168348 0.0920924 -0.1715941 -2.0670924 46 O -2.3482933 0.4140806 0.0442390 0.5368808 -1.4369389 0.2168348 0.0920924 0.1715941 -2.0670924 47 O -2.3709097 0.3533131 0.3260542 0.6445562 -1.5293055 0.3723714 -0.0986665 0.4824716 -1.4862540 48 O -3.1176261 -0.8938397 -0.3439794 -1.2055579 -1.6825388 -0.4637338 -0.4911241 -0.4330483 -1.1743264 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 44 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 44 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 44), data: (1152, 68) @ (68, 44) |-- (152, 132), data: True |-- (500, 476), data: False |-- (500, 17), data: (500, 41) @ (41, 17) |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 44), data: (1152, 68) @ (68, 44) |-- (152, 132), data: True |-- (500, 476), data: False |-- (500, 17), data: (500, 41) @ (41, 17) |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 1.204 Solver_block: 200 / 1440 - Time: 1.014 Solver_block: 300 / 1440 - Time: 1.014 Solver_block: 400 / 1440 - Time: 1.016 Solver_block: 500 / 1440 - Time: 1.017 Solver_block: 600 / 1440 - Time: 1.018 Solver_block: 700 / 1440 - Time: 1.014 Solver_block: 800 / 1440 - Time: 1.018 Solver_block: 900 / 1440 - Time: 1.019 Solver_block: 1000 / 1440 - Time: 1.017 Solver_block: 1100 / 1440 - Time: 1.015 Solver_block: 1200 / 1440 - Time: 1.018 Solver_block: 1300 / 1440 - Time: 1.017 Solver_block: 1400 / 1440 - Time: 1.015 Solver_block: 1440 / 1440 - Time: 0.536 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.361 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 44 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1152 / 1152 (1) 132 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 44 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 44), data: (1152, 68) @ (68, 44) |-- (152, 132), data: True |-- (500, 476), data: False |-- (500, 17), data: (500, 41) @ (41, 17) |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (1152, 1128), data: False |-- (1152, 44), data: (1152, 68) @ (68, 44) |-- (152, 132), data: True |-- (500, 476), data: False |-- (500, 17), data: (500, 41) @ (41, 17) |-- (250, 227), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 01:16:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:16:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.922459260708857 0.000000000000000 0.000000000000000 b 0.000000000000000 6.385747009999999 0.000000000000000 c -4.674301489844711 0.000000000000000 9.039035379889993 Atomic positions (fractional): 1 Li 0.39101465311133 0.25675310567725 0.52259224204882 6.941 2 Li 0.29568230530831 0.55967223452933 0.33147368826072 6.941 3 Li 0.60898534688867 0.75675310567725 0.97740775795118 6.941 4 Li 0.15846088988704 0.77614285629196 0.45167246033541 6.941 5 Li 0.29568230530831 0.94032776547067 0.83147368826072 6.941 6 Li 0.84153911011296 0.27614285629196 0.04832753966459 6.941 7 Li 0.15846088988704 0.72385714370804 0.95167246033541 6.941 8 Li 0.70431769469169 0.05967223452933 0.16852631173928 6.941 9 Li 0.84153911011296 0.22385714370804 0.54832753966459 6.941 10 Li 0.39101465311133 0.24324689432275 0.02259224204882 6.941 11 Li 0.70431769469169 0.44032776547067 0.66852631173928 6.941 12 Li 0.60898534688867 0.74324689432275 0.47740775795118 6.941 13 Bi 0.18872878426029 0.02451289942955 0.20063569318642 208.980 14 Bi 0.18872878426029 0.47548710057045 0.70063569318642 208.980 15 Bi 0.81127121573971 0.52451289942955 0.29936430681358 208.980 16 Bi 0.81127121573971 0.97548710057045 0.79936430681358 208.980 17 B 0.54159293627050 0.16751792073969 0.82726420878914 10.811 18 B 0.45840706372950 0.66751792073969 0.67273579121086 10.811 19 B 0.95082391389780 0.66344289756851 0.10706982372744 10.811 20 B 0.04917608610220 0.16344289756851 0.39293017627256 10.811 21 B 0.95082391389780 0.83655710243149 0.60706982372744 10.811 22 B 0.04917608610220 0.33655710243149 0.89293017627256 10.811 23 B 0.54159293627050 0.33248207926031 0.32726420878914 10.811 24 B 0.45840706372950 0.83248207926031 0.17273579121086 10.811 25 O 0.61200816381486 0.71265768479377 0.67744806861250 15.999 26 O 0.58232304578547 0.21616458661584 0.71423608458548 15.999 27 O 0.66409152748731 0.06201486040170 0.95023375144300 15.999 28 O 0.33590847251269 0.56201486040170 0.54976624855700 15.999 29 O 0.41767695421453 0.71616458661584 0.78576391541452 15.999 30 O 0.99245870960028 0.77158007444858 0.01100681358455 15.999 31 O 0.20322343781481 0.06542213320346 0.44068259767210 15.999 32 O 0.38799183618514 0.21265768479377 0.82255193138750 15.999 33 O 0.06542458117404 0.66599120367728 0.25611013734071 15.999 34 O 0.93457541882596 0.16599120367728 0.24388986265929 15.999 35 O 0.79677656218519 0.56542213320346 0.05931740232790 15.999 36 O 0.00754129039972 0.27158007444858 0.48899318641545 15.999 37 O 0.99245870960028 0.72841992555142 0.51100681358455 15.999 38 O 0.20322343781481 0.43457786679654 0.94068259767210 15.999 39 O 0.06542458117404 0.83400879632272 0.75611013734071 15.999 40 O 0.93457541882596 0.33400879632272 0.74388986265929 15.999 41 O 0.61200816381486 0.78734231520623 0.17744806861250 15.999 42 O 0.79677656218519 0.93457786679654 0.55931740232790 15.999 43 O 0.00754129039972 0.22841992555142 0.98899318641545 15.999 44 O 0.58232304578547 0.28383541338416 0.21423608458547 15.999 45 O 0.66409152748731 0.43798513959830 0.45023375144300 15.999 46 O 0.33590847251269 0.93798513959830 0.04976624855700 15.999 47 O 0.41767695421453 0.78383541338416 0.28576391541453 15.999 48 O 0.38799183618514 0.28734231520623 0.32255193138750 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.922459260708857 0.000000000000000 0.000000000000000 b 0.000000000000000 12.771494019999999 0.000000000000000 c -4.674301489844711 0.000000000000000 9.039035379889993 Atomic positions (fractional): 1 Li 0.39101465311133 0.12837655283862 0.52259224204882 6.941 > 1 2 Li 0.39101465311133 0.62837655283862 0.52259224204882 6.941 > 1 3 Li 0.29568230530831 0.27983611726466 0.33147368826072 6.941 > 3 4 Li 0.29568230530831 0.77983611726466 0.33147368826072 6.941 > 3 5 Li 0.60898534688867 0.37837655283862 0.97740775795118 6.941 > 5 6 Li 0.60898534688867 0.87837655283862 0.97740775795118 6.941 > 5 7 Li 0.15846088988704 0.38807142814598 0.45167246033541 6.941 > 7 8 Li 0.15846088988704 0.88807142814598 0.45167246033541 6.941 > 7 9 Li 0.29568230530831 0.47016388273534 0.83147368826072 6.941 > 9 10 Li 0.29568230530831 0.97016388273534 0.83147368826072 6.941 > 9 11 Li 0.84153911011296 0.13807142814598 0.04832753966459 6.941 > 11 12 Li 0.84153911011296 0.63807142814598 0.04832753966459 6.941 > 11 13 Li 0.15846088988704 0.36192857185402 0.95167246033541 6.941 > 13 14 Li 0.15846088988704 0.86192857185402 0.95167246033541 6.941 > 13 15 Li 0.70431769469169 0.02983611726466 0.16852631173928 6.941 > 15 16 Li 0.70431769469169 0.52983611726466 0.16852631173928 6.941 > 15 17 Li 0.84153911011296 0.11192857185402 0.54832753966459 6.941 > 17 18 Li 0.84153911011296 0.61192857185402 0.54832753966459 6.941 > 17 19 Li 0.39101465311133 0.12162344716138 0.02259224204882 6.941 > 19 20 Li 0.39101465311133 0.62162344716138 0.02259224204882 6.941 > 19 21 Li 0.70431769469169 0.22016388273534 0.66852631173928 6.941 > 21 22 Li 0.70431769469169 0.72016388273534 0.66852631173928 6.941 > 21 23 Li 0.60898534688867 0.37162344716138 0.47740775795118 6.941 > 23 24 Li 0.60898534688867 0.87162344716138 0.47740775795118 6.941 > 23 25 Bi 0.18872878426029 0.01225644971478 0.20063569318642 208.980 > 25 26 Bi 0.18872878426029 0.51225644971478 0.20063569318642 208.980 > 25 27 Bi 0.18872878426029 0.23774355028523 0.70063569318642 208.980 > 27 28 Bi 0.18872878426029 0.73774355028522 0.70063569318642 208.980 > 27 29 Bi 0.81127121573971 0.26225644971478 0.29936430681358 208.980 > 29 30 Bi 0.81127121573971 0.76225644971478 0.29936430681358 208.980 > 29 31 Bi 0.81127121573971 0.48774355028522 0.79936430681358 208.980 > 31 32 Bi 0.81127121573971 0.98774355028522 0.79936430681358 208.980 > 31 33 B 0.54159293627050 0.08375896036984 0.82726420878914 10.811 > 33 34 B 0.54159293627050 0.58375896036984 0.82726420878914 10.811 > 33 35 B 0.45840706372950 0.33375896036984 0.67273579121086 10.811 > 35 36 B 0.45840706372950 0.83375896036984 0.67273579121086 10.811 > 35 37 B 0.95082391389780 0.33172144878426 0.10706982372744 10.811 > 37 38 B 0.95082391389780 0.83172144878426 0.10706982372744 10.811 > 37 39 B 0.04917608610220 0.08172144878426 0.39293017627256 10.811 > 39 40 B 0.04917608610220 0.58172144878426 0.39293017627256 10.811 > 39 41 B 0.95082391389780 0.41827855121574 0.60706982372744 10.811 > 41 42 B 0.95082391389780 0.91827855121574 0.60706982372744 10.811 > 41 43 B 0.04917608610220 0.16827855121574 0.89293017627256 10.811 > 43 44 B 0.04917608610220 0.66827855121574 0.89293017627256 10.811 > 43 45 B 0.54159293627050 0.16624103963016 0.32726420878914 10.811 > 45 46 B 0.54159293627050 0.66624103963016 0.32726420878914 10.811 > 45 47 B 0.45840706372950 0.41624103963016 0.17273579121086 10.811 > 47 48 B 0.45840706372950 0.91624103963016 0.17273579121086 10.811 > 47 49 O 0.61200816381486 0.35632884239688 0.67744806861250 15.999 > 49 50 O 0.61200816381486 0.85632884239688 0.67744806861250 15.999 > 49 51 O 0.58232304578547 0.10808229330792 0.71423608458548 15.999 > 51 52 O 0.58232304578547 0.60808229330792 0.71423608458548 15.999 > 51 53 O 0.66409152748731 0.03100743020085 0.95023375144300 15.999 > 53 54 O 0.66409152748731 0.53100743020085 0.95023375144300 15.999 > 53 55 O 0.33590847251269 0.28100743020085 0.54976624855700 15.999 > 55 56 O 0.33590847251269 0.78100743020085 0.54976624855700 15.999 > 55 57 O 0.41767695421453 0.35808229330792 0.78576391541452 15.999 > 57 58 O 0.41767695421453 0.85808229330792 0.78576391541452 15.999 > 57 59 O 0.99245870960028 0.38579003722429 0.01100681358455 15.999 > 59 60 O 0.99245870960028 0.88579003722429 0.01100681358455 15.999 > 59 61 O 0.20322343781481 0.03271106660173 0.44068259767210 15.999 > 61 62 O 0.20322343781481 0.53271106660173 0.44068259767210 15.999 > 61 63 O 0.38799183618514 0.10632884239688 0.82255193138750 15.999 > 63 64 O 0.38799183618514 0.60632884239688 0.82255193138750 15.999 > 63 65 O 0.06542458117404 0.33299560183864 0.25611013734071 15.999 > 65 66 O 0.06542458117404 0.83299560183864 0.25611013734071 15.999 > 65 67 O 0.93457541882596 0.08299560183864 0.24388986265929 15.999 > 67 68 O 0.93457541882596 0.58299560183864 0.24388986265929 15.999 > 67 69 O 0.79677656218519 0.28271106660173 0.05931740232790 15.999 > 69 70 O 0.79677656218519 0.78271106660173 0.05931740232790 15.999 > 69 71 O 0.00754129039972 0.13579003722429 0.48899318641545 15.999 > 71 72 O 0.00754129039972 0.63579003722429 0.48899318641545 15.999 > 71 73 O 0.99245870960028 0.36420996277571 0.51100681358455 15.999 > 73 74 O 0.99245870960028 0.86420996277571 0.51100681358455 15.999 > 73 75 O 0.20322343781481 0.21728893339827 0.94068259767210 15.999 > 75 76 O 0.20322343781481 0.71728893339827 0.94068259767210 15.999 > 75 77 O 0.06542458117404 0.41700439816136 0.75611013734071 15.999 > 77 78 O 0.06542458117404 0.91700439816136 0.75611013734071 15.999 > 77 79 O 0.93457541882596 0.16700439816136 0.74388986265929 15.999 > 79 80 O 0.93457541882596 0.66700439816136 0.74388986265929 15.999 > 79 81 O 0.61200816381486 0.39367115760312 0.17744806861250 15.999 > 81 82 O 0.61200816381486 0.89367115760312 0.17744806861250 15.999 > 81 83 O 0.79677656218519 0.46728893339827 0.55931740232790 15.999 > 83 84 O 0.79677656218519 0.96728893339827 0.55931740232790 15.999 > 83 85 O 0.00754129039972 0.11420996277571 0.98899318641545 15.999 > 85 86 O 0.00754129039972 0.61420996277571 0.98899318641545 15.999 > 85 87 O 0.58232304578547 0.14191770669208 0.21423608458547 15.999 > 87 88 O 0.58232304578547 0.64191770669208 0.21423608458547 15.999 > 87 89 O 0.66409152748731 0.21899256979915 0.45023375144300 15.999 > 89 90 O 0.66409152748731 0.71899256979915 0.45023375144300 15.999 > 89 91 O 0.33590847251269 0.46899256979915 0.04976624855700 15.999 > 91 92 O 0.33590847251269 0.96899256979915 0.04976624855700 15.999 > 91 93 O 0.41767695421453 0.39191770669208 0.28576391541453 15.999 > 93 94 O 0.41767695421453 0.89191770669208 0.28576391541453 15.999 > 93 95 O 0.38799183618514 0.14367115760312 0.32255193138750 15.999 > 95 96 O 0.38799183618514 0.64367115760312 0.32255193138750 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9869776 0.0000000 -0.0874773 0.0000000 3.4623582 0.0000000 -0.0874766 0.0000000 3.5232757 -------------------------- Born effective charges -------------------------- 1 Li 1.0296700 -0.0108960 0.0716936 -0.0630997 0.9493457 -0.0064975 0.0439866 0.1943099 1.2470514 2 Li 1.0731956 -0.1531133 -0.0369076 -0.0845437 1.1377645 -0.1049994 -0.0810261 -0.0501286 1.1254477 3 Li 1.0296700 0.0108960 0.0716936 0.0630997 0.9493457 0.0064975 0.0439866 -0.1943099 1.2470514 4 Li 0.8775522 0.0773956 -0.0135578 0.0844746 1.0099647 -0.1886647 -0.0351475 -0.2300432 1.0950714 5 Li 1.0731956 0.1531133 -0.0369076 0.0845437 1.1377645 0.1049994 -0.0810261 0.0501286 1.1254477 6 Li 0.8775522 -0.0773956 -0.0135578 -0.0844746 1.0099647 0.1886647 -0.0351475 0.2300432 1.0950714 7 Li 0.8775522 -0.0773956 -0.0135578 -0.0844746 1.0099647 0.1886647 -0.0351475 0.2300432 1.0950714 8 Li 1.0731956 0.1531133 -0.0369076 0.0845437 1.1377645 0.1049994 -0.0810261 0.0501286 1.1254477 9 Li 0.8775522 0.0773956 -0.0135578 0.0844746 1.0099647 -0.1886647 -0.0351475 -0.2300432 1.0950714 10 Li 1.0296700 0.0108960 0.0716936 0.0630997 0.9493457 0.0064975 0.0439866 -0.1943099 1.2470514 11 Li 1.0731956 -0.1531133 -0.0369076 -0.0845437 1.1377645 -0.1049994 -0.0810261 -0.0501286 1.1254477 12 Li 1.0296700 -0.0108960 0.0716936 -0.0630997 0.9493457 -0.0064975 0.0439866 0.1943099 1.2470514 13 Bi 4.8194237 0.3796130 -0.0659982 -0.3778291 4.0854132 0.5717399 -0.0184403 0.1559072 4.4470139 14 Bi 4.8194237 -0.3796130 -0.0659982 0.3778291 4.0854132 -0.5717399 -0.0184403 -0.1559072 4.4470139 15 Bi 4.8194237 -0.3796130 -0.0659982 0.3778291 4.0854132 -0.5717399 -0.0184403 -0.1559072 4.4470139 16 Bi 4.8194237 0.3796130 -0.0659982 -0.3778291 4.0854132 0.5717399 -0.0184403 0.1559072 4.4470139 17 B 3.5302247 -0.2893852 -0.2285929 -1.1444302 1.0053810 -0.3419349 0.4165439 -0.4332696 1.4764095 18 B 3.5302247 0.2893852 -0.2285929 1.1444302 1.0053810 0.3419349 0.4165439 0.4332696 1.4764095 19 B 2.0838948 0.9669949 -0.1125647 1.3927125 1.5318931 -0.2928864 -0.7102430 -0.5506697 1.9955612 20 B 2.0838948 -0.9669949 -0.1125647 -1.3927125 1.5318931 0.2928864 -0.7102430 0.5506697 1.9955612 21 B 2.0838948 -0.9669949 -0.1125647 -1.3927125 1.5318931 0.2928864 -0.7102430 0.5506697 1.9955612 22 B 2.0838948 0.9669949 -0.1125647 1.3927125 1.5318931 -0.2928864 -0.7102430 -0.5506697 1.9955612 23 B 3.5302247 0.2893852 -0.2285929 1.1444302 1.0053810 0.3419349 0.4165439 0.4332696 1.4764095 24 B 3.5302247 -0.2893852 -0.2285929 -1.1444302 1.0053810 -0.3419349 0.4165439 -0.4332696 1.4764095 25 O -3.1176261 -0.8938397 -0.3439794 -1.2055579 -1.6825388 -0.4637338 -0.4911241 -0.4330483 -1.1743264 26 O -2.3709097 0.3533131 0.3260542 0.6445562 -1.5293055 0.3723714 -0.0986665 0.4824716 -1.4862540 27 O -2.3482933 0.4140806 0.0442390 0.5368808 -1.4369389 0.2168348 0.0920924 0.1715941 -2.0670924 28 O -2.3482933 -0.4140806 0.0442390 -0.5368808 -1.4369389 -0.2168348 0.0920924 -0.1715941 -2.0670924 29 O -2.3709097 -0.3533131 0.3260542 -0.6445562 -1.5293055 -0.3723714 -0.0986665 -0.4824716 -1.4862540 30 O -1.5079456 -0.6420286 0.0945353 -0.4969627 -1.9870185 0.4616109 0.2425893 0.6044181 -2.6493269 31 O -1.9955146 0.3802631 0.2162430 0.7485262 -1.4157022 -0.0453280 0.4554450 -0.2116093 -1.8734135 32 O -3.1176261 0.8938397 -0.3439794 1.2055579 -1.6825388 0.4637338 -0.4911241 0.4330483 -1.1743264 33 O -2.0736717 -0.7979705 0.0488354 -0.8226588 -1.6682583 0.2577979 0.1839905 0.1823279 -2.1361420 34 O -2.0736717 0.7979705 0.0488354 0.8226588 -1.6682583 -0.2577979 0.1839905 -0.1823279 -2.1361420 35 O -1.9955146 -0.3802631 0.2162430 -0.7485262 -1.4157022 0.0453280 0.4554450 0.2116093 -1.8734135 36 O -1.5079456 0.6420286 0.0945353 0.4969627 -1.9870185 -0.4616109 0.2425893 -0.6044181 -2.6493269 37 O -1.5079456 0.6420286 0.0945353 0.4969627 -1.9870185 -0.4616109 0.2425893 -0.6044181 -2.6493269 38 O -1.9955146 -0.3802631 0.2162430 -0.7485262 -1.4157022 0.0453280 0.4554450 0.2116093 -1.8734135 39 O -2.0736717 0.7979705 0.0488354 0.8226588 -1.6682583 -0.2577979 0.1839905 -0.1823279 -2.1361420 40 O -2.0736717 -0.7979705 0.0488354 -0.8226588 -1.6682583 0.2577979 0.1839905 0.1823279 -2.1361420 41 O -3.1176261 0.8938397 -0.3439794 1.2055579 -1.6825388 0.4637338 -0.4911241 0.4330483 -1.1743264 42 O -1.9955146 0.3802631 0.2162430 0.7485262 -1.4157022 -0.0453280 0.4554450 -0.2116093 -1.8734135 43 O -1.5079456 -0.6420286 0.0945353 -0.4969627 -1.9870185 0.4616109 0.2425893 0.6044181 -2.6493269 44 O -2.3709097 -0.3533131 0.3260542 -0.6445562 -1.5293055 -0.3723714 -0.0986665 -0.4824716 -1.4862540 45 O -2.3482933 -0.4140806 0.0442390 -0.5368808 -1.4369389 -0.2168348 0.0920924 -0.1715941 -2.0670924 46 O -2.3482933 0.4140806 0.0442390 0.5368808 -1.4369389 0.2168348 0.0920924 0.1715941 -2.0670924 47 O -2.3709097 0.3533131 0.3260542 0.6445562 -1.5293055 0.3723714 -0.0986665 0.4824716 -1.4862540 48 O -3.1176261 -0.8938397 -0.3439794 -1.2055579 -1.6825388 -0.4637338 -0.4911241 -0.4330483 -1.1743264 ---------------------------------------------------------------------------- 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 59, 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] 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] [-0.0046 0.0000 0.0089] [ 0.0046 0.0000 -0.0089] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) 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 2026-01-09 01:17:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:17:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.922459260708857 0.000000000000000 0.000000000000000 b 0.000000000000000 6.385747009999999 0.000000000000000 c -4.674301489844711 0.000000000000000 9.039035379889993 Atomic positions (fractional): 1 Li 0.39101465311133 0.25675310567725 0.52259224204882 6.941 2 Li 0.29568230530831 0.55967223452933 0.33147368826072 6.941 3 Li 0.60898534688867 0.75675310567725 0.97740775795118 6.941 4 Li 0.15846088988704 0.77614285629196 0.45167246033541 6.941 5 Li 0.29568230530831 0.94032776547067 0.83147368826072 6.941 6 Li 0.84153911011296 0.27614285629196 0.04832753966459 6.941 7 Li 0.15846088988704 0.72385714370804 0.95167246033541 6.941 8 Li 0.70431769469169 0.05967223452933 0.16852631173928 6.941 9 Li 0.84153911011296 0.22385714370804 0.54832753966459 6.941 10 Li 0.39101465311133 0.24324689432275 0.02259224204882 6.941 11 Li 0.70431769469169 0.44032776547067 0.66852631173928 6.941 12 Li 0.60898534688867 0.74324689432275 0.47740775795118 6.941 13 Bi 0.18872878426029 0.02451289942955 0.20063569318642 208.980 14 Bi 0.18872878426029 0.47548710057045 0.70063569318642 208.980 15 Bi 0.81127121573971 0.52451289942955 0.29936430681358 208.980 16 Bi 0.81127121573971 0.97548710057045 0.79936430681358 208.980 17 B 0.54159293627050 0.16751792073969 0.82726420878914 10.811 18 B 0.45840706372950 0.66751792073969 0.67273579121086 10.811 19 B 0.95082391389780 0.66344289756851 0.10706982372744 10.811 20 B 0.04917608610220 0.16344289756851 0.39293017627256 10.811 21 B 0.95082391389780 0.83655710243149 0.60706982372744 10.811 22 B 0.04917608610220 0.33655710243149 0.89293017627256 10.811 23 B 0.54159293627050 0.33248207926031 0.32726420878914 10.811 24 B 0.45840706372950 0.83248207926031 0.17273579121086 10.811 25 O 0.61200816381486 0.71265768479377 0.67744806861250 15.999 26 O 0.58232304578547 0.21616458661584 0.71423608458548 15.999 27 O 0.66409152748731 0.06201486040170 0.95023375144300 15.999 28 O 0.33590847251269 0.56201486040170 0.54976624855700 15.999 29 O 0.41767695421453 0.71616458661584 0.78576391541452 15.999 30 O 0.99245870960028 0.77158007444858 0.01100681358455 15.999 31 O 0.20322343781481 0.06542213320346 0.44068259767210 15.999 32 O 0.38799183618514 0.21265768479377 0.82255193138750 15.999 33 O 0.06542458117404 0.66599120367728 0.25611013734071 15.999 34 O 0.93457541882596 0.16599120367728 0.24388986265929 15.999 35 O 0.79677656218519 0.56542213320346 0.05931740232790 15.999 36 O 0.00754129039972 0.27158007444858 0.48899318641545 15.999 37 O 0.99245870960028 0.72841992555142 0.51100681358455 15.999 38 O 0.20322343781481 0.43457786679654 0.94068259767210 15.999 39 O 0.06542458117404 0.83400879632272 0.75611013734071 15.999 40 O 0.93457541882596 0.33400879632272 0.74388986265929 15.999 41 O 0.61200816381486 0.78734231520623 0.17744806861250 15.999 42 O 0.79677656218519 0.93457786679654 0.55931740232790 15.999 43 O 0.00754129039972 0.22841992555142 0.98899318641545 15.999 44 O 0.58232304578547 0.28383541338416 0.21423608458547 15.999 45 O 0.66409152748731 0.43798513959830 0.45023375144300 15.999 46 O 0.33590847251269 0.93798513959830 0.04976624855700 15.999 47 O 0.41767695421453 0.78383541338416 0.28576391541453 15.999 48 O 0.38799183618514 0.28734231520623 0.32255193138750 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.922459260708857 0.000000000000000 0.000000000000000 b 0.000000000000000 12.771494019999999 0.000000000000000 c -4.674301489844711 0.000000000000000 9.039035379889993 Atomic positions (fractional): 1 Li 0.39101465311133 0.12837655283862 0.52259224204882 6.941 > 1 2 Li 0.39101465311133 0.62837655283862 0.52259224204882 6.941 > 1 3 Li 0.29568230530831 0.27983611726466 0.33147368826072 6.941 > 3 4 Li 0.29568230530831 0.77983611726466 0.33147368826072 6.941 > 3 5 Li 0.60898534688867 0.37837655283862 0.97740775795118 6.941 > 5 6 Li 0.60898534688867 0.87837655283862 0.97740775795118 6.941 > 5 7 Li 0.15846088988704 0.38807142814598 0.45167246033541 6.941 > 7 8 Li 0.15846088988704 0.88807142814598 0.45167246033541 6.941 > 7 9 Li 0.29568230530831 0.47016388273534 0.83147368826072 6.941 > 9 10 Li 0.29568230530831 0.97016388273534 0.83147368826072 6.941 > 9 11 Li 0.84153911011296 0.13807142814598 0.04832753966459 6.941 > 11 12 Li 0.84153911011296 0.63807142814598 0.04832753966459 6.941 > 11 13 Li 0.15846088988704 0.36192857185402 0.95167246033541 6.941 > 13 14 Li 0.15846088988704 0.86192857185402 0.95167246033541 6.941 > 13 15 Li 0.70431769469169 0.02983611726466 0.16852631173928 6.941 > 15 16 Li 0.70431769469169 0.52983611726466 0.16852631173928 6.941 > 15 17 Li 0.84153911011296 0.11192857185402 0.54832753966459 6.941 > 17 18 Li 0.84153911011296 0.61192857185402 0.54832753966459 6.941 > 17 19 Li 0.39101465311133 0.12162344716138 0.02259224204882 6.941 > 19 20 Li 0.39101465311133 0.62162344716138 0.02259224204882 6.941 > 19 21 Li 0.70431769469169 0.22016388273534 0.66852631173928 6.941 > 21 22 Li 0.70431769469169 0.72016388273534 0.66852631173928 6.941 > 21 23 Li 0.60898534688867 0.37162344716138 0.47740775795118 6.941 > 23 24 Li 0.60898534688867 0.87162344716138 0.47740775795118 6.941 > 23 25 Bi 0.18872878426029 0.01225644971478 0.20063569318642 208.980 > 25 26 Bi 0.18872878426029 0.51225644971478 0.20063569318642 208.980 > 25 27 Bi 0.18872878426029 0.23774355028523 0.70063569318642 208.980 > 27 28 Bi 0.18872878426029 0.73774355028522 0.70063569318642 208.980 > 27 29 Bi 0.81127121573971 0.26225644971478 0.29936430681358 208.980 > 29 30 Bi 0.81127121573971 0.76225644971478 0.29936430681358 208.980 > 29 31 Bi 0.81127121573971 0.48774355028522 0.79936430681358 208.980 > 31 32 Bi 0.81127121573971 0.98774355028522 0.79936430681358 208.980 > 31 33 B 0.54159293627050 0.08375896036984 0.82726420878914 10.811 > 33 34 B 0.54159293627050 0.58375896036984 0.82726420878914 10.811 > 33 35 B 0.45840706372950 0.33375896036984 0.67273579121086 10.811 > 35 36 B 0.45840706372950 0.83375896036984 0.67273579121086 10.811 > 35 37 B 0.95082391389780 0.33172144878426 0.10706982372744 10.811 > 37 38 B 0.95082391389780 0.83172144878426 0.10706982372744 10.811 > 37 39 B 0.04917608610220 0.08172144878426 0.39293017627256 10.811 > 39 40 B 0.04917608610220 0.58172144878426 0.39293017627256 10.811 > 39 41 B 0.95082391389780 0.41827855121574 0.60706982372744 10.811 > 41 42 B 0.95082391389780 0.91827855121574 0.60706982372744 10.811 > 41 43 B 0.04917608610220 0.16827855121574 0.89293017627256 10.811 > 43 44 B 0.04917608610220 0.66827855121574 0.89293017627256 10.811 > 43 45 B 0.54159293627050 0.16624103963016 0.32726420878914 10.811 > 45 46 B 0.54159293627050 0.66624103963016 0.32726420878914 10.811 > 45 47 B 0.45840706372950 0.41624103963016 0.17273579121086 10.811 > 47 48 B 0.45840706372950 0.91624103963016 0.17273579121086 10.811 > 47 49 O 0.61200816381486 0.35632884239688 0.67744806861250 15.999 > 49 50 O 0.61200816381486 0.85632884239688 0.67744806861250 15.999 > 49 51 O 0.58232304578547 0.10808229330792 0.71423608458548 15.999 > 51 52 O 0.58232304578547 0.60808229330792 0.71423608458548 15.999 > 51 53 O 0.66409152748731 0.03100743020085 0.95023375144300 15.999 > 53 54 O 0.66409152748731 0.53100743020085 0.95023375144300 15.999 > 53 55 O 0.33590847251269 0.28100743020085 0.54976624855700 15.999 > 55 56 O 0.33590847251269 0.78100743020085 0.54976624855700 15.999 > 55 57 O 0.41767695421453 0.35808229330792 0.78576391541452 15.999 > 57 58 O 0.41767695421453 0.85808229330792 0.78576391541452 15.999 > 57 59 O 0.99245870960028 0.38579003722429 0.01100681358455 15.999 > 59 60 O 0.99245870960028 0.88579003722429 0.01100681358455 15.999 > 59 61 O 0.20322343781481 0.03271106660173 0.44068259767210 15.999 > 61 62 O 0.20322343781481 0.53271106660173 0.44068259767210 15.999 > 61 63 O 0.38799183618514 0.10632884239688 0.82255193138750 15.999 > 63 64 O 0.38799183618514 0.60632884239688 0.82255193138750 15.999 > 63 65 O 0.06542458117404 0.33299560183864 0.25611013734071 15.999 > 65 66 O 0.06542458117404 0.83299560183864 0.25611013734071 15.999 > 65 67 O 0.93457541882596 0.08299560183864 0.24388986265929 15.999 > 67 68 O 0.93457541882596 0.58299560183864 0.24388986265929 15.999 > 67 69 O 0.79677656218519 0.28271106660173 0.05931740232790 15.999 > 69 70 O 0.79677656218519 0.78271106660173 0.05931740232790 15.999 > 69 71 O 0.00754129039972 0.13579003722429 0.48899318641545 15.999 > 71 72 O 0.00754129039972 0.63579003722429 0.48899318641545 15.999 > 71 73 O 0.99245870960028 0.36420996277571 0.51100681358455 15.999 > 73 74 O 0.99245870960028 0.86420996277571 0.51100681358455 15.999 > 73 75 O 0.20322343781481 0.21728893339827 0.94068259767210 15.999 > 75 76 O 0.20322343781481 0.71728893339827 0.94068259767210 15.999 > 75 77 O 0.06542458117404 0.41700439816136 0.75611013734071 15.999 > 77 78 O 0.06542458117404 0.91700439816136 0.75611013734071 15.999 > 77 79 O 0.93457541882596 0.16700439816136 0.74388986265929 15.999 > 79 80 O 0.93457541882596 0.66700439816136 0.74388986265929 15.999 > 79 81 O 0.61200816381486 0.39367115760312 0.17744806861250 15.999 > 81 82 O 0.61200816381486 0.89367115760312 0.17744806861250 15.999 > 81 83 O 0.79677656218519 0.46728893339827 0.55931740232790 15.999 > 83 84 O 0.79677656218519 0.96728893339827 0.55931740232790 15.999 > 83 85 O 0.00754129039972 0.11420996277571 0.98899318641545 15.999 > 85 86 O 0.00754129039972 0.61420996277571 0.98899318641545 15.999 > 85 87 O 0.58232304578547 0.14191770669208 0.21423608458547 15.999 > 87 88 O 0.58232304578547 0.64191770669208 0.21423608458547 15.999 > 87 89 O 0.66409152748731 0.21899256979915 0.45023375144300 15.999 > 89 90 O 0.66409152748731 0.71899256979915 0.45023375144300 15.999 > 89 91 O 0.33590847251269 0.46899256979915 0.04976624855700 15.999 > 91 92 O 0.33590847251269 0.96899256979915 0.04976624855700 15.999 > 91 93 O 0.41767695421453 0.39191770669208 0.28576391541453 15.999 > 93 94 O 0.41767695421453 0.89191770669208 0.28576391541453 15.999 > 93 95 O 0.38799183618514 0.14367115760312 0.32255193138750 15.999 > 95 96 O 0.38799183618514 0.64367115760312 0.32255193138750 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9869776 0.0000000 -0.0874773 0.0000000 3.4623582 0.0000000 -0.0874766 0.0000000 3.5232757 -------------------------- Born effective charges -------------------------- 1 Li 1.0296700 -0.0108960 0.0716936 -0.0630997 0.9493457 -0.0064975 0.0439866 0.1943099 1.2470514 2 Li 1.0731956 -0.1531133 -0.0369076 -0.0845437 1.1377645 -0.1049994 -0.0810261 -0.0501286 1.1254477 3 Li 1.0296700 0.0108960 0.0716936 0.0630997 0.9493457 0.0064975 0.0439866 -0.1943099 1.2470514 4 Li 0.8775522 0.0773956 -0.0135578 0.0844746 1.0099647 -0.1886647 -0.0351475 -0.2300432 1.0950714 5 Li 1.0731956 0.1531133 -0.0369076 0.0845437 1.1377645 0.1049994 -0.0810261 0.0501286 1.1254477 6 Li 0.8775522 -0.0773956 -0.0135578 -0.0844746 1.0099647 0.1886647 -0.0351475 0.2300432 1.0950714 7 Li 0.8775522 -0.0773956 -0.0135578 -0.0844746 1.0099647 0.1886647 -0.0351475 0.2300432 1.0950714 8 Li 1.0731956 0.1531133 -0.0369076 0.0845437 1.1377645 0.1049994 -0.0810261 0.0501286 1.1254477 9 Li 0.8775522 0.0773956 -0.0135578 0.0844746 1.0099647 -0.1886647 -0.0351475 -0.2300432 1.0950714 10 Li 1.0296700 0.0108960 0.0716936 0.0630997 0.9493457 0.0064975 0.0439866 -0.1943099 1.2470514 11 Li 1.0731956 -0.1531133 -0.0369076 -0.0845437 1.1377645 -0.1049994 -0.0810261 -0.0501286 1.1254477 12 Li 1.0296700 -0.0108960 0.0716936 -0.0630997 0.9493457 -0.0064975 0.0439866 0.1943099 1.2470514 13 Bi 4.8194237 0.3796130 -0.0659982 -0.3778291 4.0854132 0.5717399 -0.0184403 0.1559072 4.4470139 14 Bi 4.8194237 -0.3796130 -0.0659982 0.3778291 4.0854132 -0.5717399 -0.0184403 -0.1559072 4.4470139 15 Bi 4.8194237 -0.3796130 -0.0659982 0.3778291 4.0854132 -0.5717399 -0.0184403 -0.1559072 4.4470139 16 Bi 4.8194237 0.3796130 -0.0659982 -0.3778291 4.0854132 0.5717399 -0.0184403 0.1559072 4.4470139 17 B 3.5302247 -0.2893852 -0.2285929 -1.1444302 1.0053810 -0.3419349 0.4165439 -0.4332696 1.4764095 18 B 3.5302247 0.2893852 -0.2285929 1.1444302 1.0053810 0.3419349 0.4165439 0.4332696 1.4764095 19 B 2.0838948 0.9669949 -0.1125647 1.3927125 1.5318931 -0.2928864 -0.7102430 -0.5506697 1.9955612 20 B 2.0838948 -0.9669949 -0.1125647 -1.3927125 1.5318931 0.2928864 -0.7102430 0.5506697 1.9955612 21 B 2.0838948 -0.9669949 -0.1125647 -1.3927125 1.5318931 0.2928864 -0.7102430 0.5506697 1.9955612 22 B 2.0838948 0.9669949 -0.1125647 1.3927125 1.5318931 -0.2928864 -0.7102430 -0.5506697 1.9955612 23 B 3.5302247 0.2893852 -0.2285929 1.1444302 1.0053810 0.3419349 0.4165439 0.4332696 1.4764095 24 B 3.5302247 -0.2893852 -0.2285929 -1.1444302 1.0053810 -0.3419349 0.4165439 -0.4332696 1.4764095 25 O -3.1176261 -0.8938397 -0.3439794 -1.2055579 -1.6825388 -0.4637338 -0.4911241 -0.4330483 -1.1743264 26 O -2.3709097 0.3533131 0.3260542 0.6445562 -1.5293055 0.3723714 -0.0986665 0.4824716 -1.4862540 27 O -2.3482933 0.4140806 0.0442390 0.5368808 -1.4369389 0.2168348 0.0920924 0.1715941 -2.0670924 28 O -2.3482933 -0.4140806 0.0442390 -0.5368808 -1.4369389 -0.2168348 0.0920924 -0.1715941 -2.0670924 29 O -2.3709097 -0.3533131 0.3260542 -0.6445562 -1.5293055 -0.3723714 -0.0986665 -0.4824716 -1.4862540 30 O -1.5079456 -0.6420286 0.0945353 -0.4969627 -1.9870185 0.4616109 0.2425893 0.6044181 -2.6493269 31 O -1.9955146 0.3802631 0.2162430 0.7485262 -1.4157022 -0.0453280 0.4554450 -0.2116093 -1.8734135 32 O -3.1176261 0.8938397 -0.3439794 1.2055579 -1.6825388 0.4637338 -0.4911241 0.4330483 -1.1743264 33 O -2.0736717 -0.7979705 0.0488354 -0.8226588 -1.6682583 0.2577979 0.1839905 0.1823279 -2.1361420 34 O -2.0736717 0.7979705 0.0488354 0.8226588 -1.6682583 -0.2577979 0.1839905 -0.1823279 -2.1361420 35 O -1.9955146 -0.3802631 0.2162430 -0.7485262 -1.4157022 0.0453280 0.4554450 0.2116093 -1.8734135 36 O -1.5079456 0.6420286 0.0945353 0.4969627 -1.9870185 -0.4616109 0.2425893 -0.6044181 -2.6493269 37 O -1.5079456 0.6420286 0.0945353 0.4969627 -1.9870185 -0.4616109 0.2425893 -0.6044181 -2.6493269 38 O -1.9955146 -0.3802631 0.2162430 -0.7485262 -1.4157022 0.0453280 0.4554450 0.2116093 -1.8734135 39 O -2.0736717 0.7979705 0.0488354 0.8226588 -1.6682583 -0.2577979 0.1839905 -0.1823279 -2.1361420 40 O -2.0736717 -0.7979705 0.0488354 -0.8226588 -1.6682583 0.2577979 0.1839905 0.1823279 -2.1361420 41 O -3.1176261 0.8938397 -0.3439794 1.2055579 -1.6825388 0.4637338 -0.4911241 0.4330483 -1.1743264 42 O -1.9955146 0.3802631 0.2162430 0.7485262 -1.4157022 -0.0453280 0.4554450 -0.2116093 -1.8734135 43 O -1.5079456 -0.6420286 0.0945353 -0.4969627 -1.9870185 0.4616109 0.2425893 0.6044181 -2.6493269 44 O -2.3709097 -0.3533131 0.3260542 -0.6445562 -1.5293055 -0.3723714 -0.0986665 -0.4824716 -1.4862540 45 O -2.3482933 -0.4140806 0.0442390 -0.5368808 -1.4369389 -0.2168348 0.0920924 -0.1715941 -2.0670924 46 O -2.3482933 0.4140806 0.0442390 0.5368808 -1.4369389 0.2168348 0.0920924 0.1715941 -2.0670924 47 O -2.3709097 0.3533131 0.3260542 0.6445562 -1.5293055 0.3723714 -0.0986665 0.4824716 -1.4862540 48 O -3.1176261 -0.8938397 -0.3439794 -1.2055579 -1.6825388 -0.4637338 -0.4911241 -0.4330483 -1.1743264 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.181 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 4.129 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.837 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 5.347 ( 0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 5.930 ( 0.000 0.000 0.000) 0.000 6.113 ( 0.000 0.000 0.000) 0.000 6.311 ( 0.000 0.000 0.000) 0.000 6.315 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.678 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 0.000) 0.000 6.956 ( 0.000 0.000 0.000) 0.000 6.963 ( 0.000 0.000 0.000) 0.000 7.190 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.366 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 7.923 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.275 ( 0.000 0.000 0.000) 0.000 8.352 ( 0.000 0.000 0.000) 0.000 8.380 ( 0.000 0.000 0.000) 0.000 8.435 ( 0.000 0.000 0.000) 0.000 8.592 ( 0.000 0.000 0.000) 0.000 8.653 ( 0.000 0.000 0.000) 0.000 8.656 ( 0.000 0.000 0.000) 0.000 8.864 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.274 ( 0.000 0.000 0.000) 0.000 9.393 ( 0.000 0.000 0.000) 0.000 9.517 ( 0.000 0.000 0.000) 0.000 9.532 ( 0.000 0.000 0.000) 0.000 9.753 ( 0.000 0.000 0.000) 0.000 9.757 ( 0.000 0.000 0.000) 0.000 10.242 ( 0.000 0.000 0.000) 0.000 10.480 ( 0.000 0.000 0.000) 0.000 10.481 ( 0.000 0.000 0.000) 0.000 10.526 ( 0.000 0.000 0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 11.243 ( 0.000 0.000 0.000) 0.000 11.497 ( 0.000 0.000 0.000) 0.000 11.505 ( 0.000 0.000 0.000) 0.000 11.676 ( 0.000 0.000 0.000) 0.000 12.381 ( 0.000 0.000 0.000) 0.000 12.546 ( 0.000 0.000 0.000) 0.000 12.650 ( 0.000 0.000 0.000) 0.000 12.756 ( 0.000 0.000 0.000) 0.000 12.759 ( 0.000 0.000 0.000) 0.000 12.911 ( 0.000 0.000 0.000) 0.000 12.946 ( 0.000 0.000 0.000) 0.000 13.015 ( 0.000 0.000 0.000) 0.000 14.026 ( 0.000 0.000 0.000) 0.000 14.052 ( 0.000 0.000 0.000) 0.000 14.139 ( 0.000 0.000 0.000) 0.000 14.271 ( 0.000 0.000 0.000) 0.000 15.014 ( 0.000 0.000 0.000) 0.000 15.139 ( 0.000 0.000 0.000) 0.000 15.356 ( 0.000 0.000 0.000) 0.000 15.527 ( 0.000 0.000 0.000) 0.000 15.576 ( 0.000 0.000 0.000) 0.000 15.663 ( 0.000 0.000 0.000) 0.000 16.025 ( 0.000 0.000 0.000) 0.000 16.033 ( 0.000 0.000 0.000) 0.000 16.219 ( 0.000 0.000 0.000) 0.000 16.321 ( 0.000 0.000 0.000) 0.000 16.451 ( 0.000 0.000 0.000) 0.000 16.478 ( 0.000 0.000 0.000) 0.000 16.920 ( 0.000 0.000 0.000) 0.000 16.992 ( 0.000 0.000 0.000) 0.000 17.014 ( 0.000 0.000 0.000) 0.000 17.034 ( 0.000 0.000 0.000) 0.000 17.472 ( 0.000 0.000 0.000) 0.000 17.497 ( 0.000 0.000 0.000) 0.000 17.497 ( 0.000 0.000 0.000) 0.000 17.516 ( 0.000 0.000 0.000) 0.000 18.021 ( 0.000 0.000 0.000) 0.000 18.187 ( 0.000 0.000 0.000) 0.000 18.261 ( 0.000 0.000 0.000) 0.000 18.409 ( 0.000 0.000 0.000) 0.000 18.763 ( 0.000 0.000 0.000) 0.000 18.786 ( 0.000 0.000 0.000) 0.000 18.930 ( 0.000 0.000 0.000) 0.000 19.178 ( 0.000 0.000 0.000) 0.000 20.835 ( 0.000 0.000 0.000) 0.000 20.840 ( 0.000 0.000 0.000) 0.000 21.042 ( 0.000 0.000 0.000) 0.000 21.127 ( 0.000 0.000 0.000) 0.000 21.348 ( 0.000 0.000 0.000) 0.000 21.454 ( 0.000 0.000 0.000) 0.000 21.552 ( 0.000 0.000 0.000) 0.000 21.557 ( 0.000 0.000 0.000) 0.000 26.740 ( 0.000 0.000 0.000) 0.000 26.856 ( 0.000 0.000 0.000) 0.000 26.883 ( 0.000 0.000 0.000) 0.000 26.959 ( 0.000 0.000 0.000) 0.000 27.659 ( 0.000 0.000 0.000) 0.000 27.672 ( 0.000 0.000 0.000) 0.000 27.722 ( 0.000 0.000 0.000) 0.000 27.739 ( 0.000 0.000 0.000) 0.000 35.579 ( 0.000 0.000 0.000) 0.000 35.780 ( 0.000 0.000 0.000) 0.000 35.883 ( 0.000 0.000 0.000) 0.000 36.090 ( 0.000 0.000 0.000) 0.000 36.791 ( 0.000 0.000 0.000) 0.000 37.077 ( 0.000 0.000 0.000) 0.000 37.334 ( 0.000 0.000 0.000) 0.000 37.643 ( 0.000 0.000 0.000) 0.000 37.727 ( 0.000 0.000 0.000) 0.000 37.757 ( 0.000 0.000 0.000) 0.000 37.924 ( 0.000 0.000 0.000) 0.000 37.929 ( 0.000 0.000 0.000) 0.000 38.108 ( 0.000 0.000 0.000) 0.000 38.902 ( 0.000 0.000 0.000) 0.000 39.713 ( 0.000 0.000 0.000) 0.000 40.102 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 25.668 0.000 12.810) 28.687 0.710 ( 29.083 0.000 15.053) 32.747 1.161 ( 46.875 0.000 20.782) 51.275 1.760 ( 6.926 0.000 1.319) 7.050 1.832 ( -0.382 0.000 -0.047) 0.385 2.367 ( -1.599 0.000 -4.877) 5.133 2.472 ( -1.707 0.000 7.104) 7.306 2.512 ( -7.404 0.000 3.846) 8.343 2.735 ( -0.669 0.000 -4.664) 4.712 3.094 ( -5.230 0.000 -1.358) 5.403 3.210 ( 2.857 0.000 -21.652) 21.840 3.419 ( -2.850 0.000 -1.588) 3.263 3.482 ( 7.382 0.000 -15.098) 16.806 3.769 ( 4.514 0.000 2.056) 4.960 3.967 ( 2.077 0.000 4.073) 4.572 4.125 ( 0.916 0.000 -5.808) 5.879 4.315 ( -7.219 0.000 1.343) 7.342 4.499 ( -7.495 0.000 5.280) 9.169 4.532 ( -6.221 0.000 -4.845) 7.885 4.580 ( -2.069 0.000 9.197) 9.427 4.708 ( 2.485 0.000 10.290) 10.586 4.718 ( -9.691 0.000 5.025) 10.916 4.916 ( 5.444 0.000 10.175) 11.540 4.999 ( -8.081 0.000 -3.782) 8.922 5.086 ( 3.389 0.000 5.591) 6.538 5.200 ( 9.112 0.000 3.136) 9.637 5.587 ( 10.242 0.000 -0.227) 10.245 5.628 ( 10.071 0.000 5.821) 11.632 5.827 ( 2.921 0.000 -5.325) 6.074 5.990 ( 5.348 0.000 7.252) 9.011 5.997 ( -6.547 0.000 -4.316) 7.842 6.165 ( -1.408 0.000 2.693) 3.039 6.307 ( -4.565 0.000 0.990) 4.671 6.343 ( 4.040 0.000 -5.942) 7.185 6.618 ( 2.661 0.000 -4.055) 4.850 6.652 ( 0.815 0.000 -3.614) 3.705 6.683 ( 2.575 0.000 -10.012) 10.338 6.813 ( 1.107 0.000 2.655) 2.877 6.838 ( 6.055 0.000 -2.286) 6.473 6.943 ( 0.196 0.000 -2.137) 2.146 6.983 ( 11.127 0.000 0.554) 11.141 7.120 ( 1.006 0.000 -6.901) 6.974 7.438 ( 8.313 0.000 9.570) 12.677 7.588 ( 2.553 0.000 -13.429) 13.669 7.765 ( 5.027 0.000 2.410) 5.575 7.819 ( 1.331 0.000 -7.561) 7.678 7.972 ( 1.736 0.000 -1.094) 2.052 8.137 ( -3.516 0.000 5.216) 6.290 8.214 ( -3.983 0.000 -3.917) 5.586 8.227 ( -5.724 0.000 -5.417) 7.881 8.424 ( -2.585 0.000 4.276) 4.996 8.427 ( -8.709 0.000 -0.311) 8.715 8.533 ( -9.892 0.000 13.567) 16.790 8.661 ( -0.875 0.000 -3.724) 3.825 8.775 ( 9.108 0.000 5.219) 10.498 8.853 ( -2.368 0.000 -0.719) 2.475 9.131 ( 1.182 0.000 -1.991) 2.315 9.216 ( -6.226 0.000 1.070) 6.318 9.297 ( -0.190 0.000 -11.708) 11.710 9.594 ( -1.556 0.000 1.327) 2.045 9.674 ( -0.244 0.000 3.061) 3.071 9.698 ( -8.388 0.000 1.729) 8.565 9.797 ( 1.446 0.000 -1.244) 1.907 10.170 ( -6.799 0.000 1.418) 6.945 10.257 ( -11.684 0.000 -3.666) 12.246 10.425 ( -3.192 0.000 0.063) 3.193 10.575 ( 6.729 0.000 -3.401) 7.539 10.707 ( 2.441 0.000 2.909) 3.797 11.459 ( 7.051 0.000 -17.008) 18.411 11.496 ( 0.831 0.000 -2.657) 2.784 11.539 ( 3.944 0.000 -2.599) 4.723 11.669 ( -0.312 0.000 -1.092) 1.136 12.400 ( 1.928 0.000 -0.247) 1.944 12.527 ( -0.076 0.000 -2.672) 2.673 12.647 ( -3.373 0.000 -1.543) 3.709 12.710 ( -3.379 0.000 0.441) 3.408 12.856 ( 4.992 0.000 4.586) 6.778 12.984 ( 5.246 0.000 5.418) 7.542 13.060 ( 0.376 0.000 6.444) 6.455 13.245 ( -5.487 0.000 6.613) 8.593 14.034 ( 0.897 0.000 -0.198) 0.919 14.235 ( 7.859 0.000 2.799) 8.342 14.265 ( -0.586 0.000 -0.006) 0.586 14.927 ( -0.484 0.000 -6.587) 6.605 15.140 ( 10.248 0.000 -8.106) 13.067 15.330 ( -15.776 0.000 26.858) 31.148 15.331 ( 0.496 0.000 -5.141) 5.164 15.566 ( 0.022 0.000 6.630) 6.630 15.690 ( 5.422 0.000 -6.517) 8.478 15.766 ( -7.277 0.000 -0.488) 7.293 15.877 ( -12.676 0.000 -0.144) 12.676 16.016 ( -2.332 0.000 -2.234) 3.229 16.330 ( 1.458 0.000 -0.915) 1.721 16.413 ( -2.907 0.000 -1.738) 3.387 16.477 ( 1.645 0.000 -4.235) 4.543 16.548 ( -11.497 0.000 10.897) 15.841 16.969 ( -1.333 0.000 1.303) 1.864 16.975 ( -0.247 0.000 -4.024) 4.032 17.077 ( 3.076 0.000 0.204) 3.083 17.087 ( 1.375 0.000 9.777) 9.873 17.434 ( -4.567 0.000 0.970) 4.669 17.473 ( -2.020 0.000 -0.424) 2.064 17.508 ( 0.307 0.000 -1.196) 1.235 17.763 ( 6.125 0.000 -7.897) 9.994 18.129 ( 7.229 0.000 -3.033) 7.839 18.188 ( -1.292 0.000 1.726) 2.156 18.272 ( 1.366 0.000 0.351) 1.410 18.448 ( 2.318 0.000 2.576) 3.466 18.664 ( -3.126 0.000 -2.976) 4.316 18.913 ( 5.129 0.000 4.228) 6.647 18.937 ( -2.771 0.000 1.945) 3.386 19.165 ( -1.170 0.000 -0.226) 1.191 20.834 ( -0.050 0.000 -0.099) 0.111 20.845 ( 0.442 0.000 0.207) 0.488 21.032 ( -0.442 0.000 -0.949) 1.047 21.253 ( 3.686 0.000 -6.229) 7.238 21.347 ( -0.165 0.000 0.125) 0.207 21.462 ( 0.846 0.000 -0.042) 0.847 21.555 ( -0.602 0.000 0.583) 0.838 21.580 ( -1.611 0.000 3.669) 4.007 26.736 ( -1.079 0.000 -0.042) 1.080 26.857 ( -0.021 0.000 0.134) 0.136 26.898 ( 1.105 0.000 0.611) 1.263 26.959 ( 0.134 0.000 -0.160) 0.209 27.653 ( -0.340 0.000 -0.461) 0.573 27.669 ( -0.086 0.000 -0.523) 0.530 27.726 ( 0.297 0.000 0.280) 0.408 27.758 ( 1.722 0.000 0.172) 1.730 35.575 ( -0.709 0.000 0.570) 0.910 35.797 ( 1.210 0.000 1.326) 1.795 36.046 ( -6.399 0.000 12.094) 13.682 36.122 ( 1.349 0.000 3.023) 3.310 36.943 ( -9.708 0.000 20.034) 22.263 37.084 ( 0.462 0.000 0.365) 0.589 37.336 ( 0.650 0.000 -0.712) 0.964 37.587 ( -7.006 0.000 -0.788) 7.051 37.616 ( -2.667 0.000 -1.798) 3.217 37.921 ( 0.240 0.000 5.721) 5.726 37.946 ( 13.655 0.000 -6.758) 15.236 38.092 ( -1.635 0.000 0.099) 1.638 38.946 ( -0.595 0.000 8.792) 8.812 39.393 ( 8.938 0.000 -17.480) 19.632 40.023 ( -2.290 0.000 -11.006) 11.241 40.915 ( 26.175 0.000 -49.810) 56.269 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 20.190 0.000 9.317) 22.236 1.343 ( 23.582 0.000 11.706) 26.328 1.794 ( -3.738 0.000 -1.179) 3.919 1.795 ( 8.280 0.000 -0.641) 8.305 2.196 ( 25.764 0.000 4.655) 26.181 2.291 ( -2.554 0.000 -1.696) 3.066 2.378 ( -6.304 0.000 14.110) 15.455 2.536 ( 1.338 0.000 6.725) 6.857 2.680 ( 0.753 0.000 -3.608) 3.685 2.939 ( -7.178 0.000 -4.409) 8.424 3.154 ( 3.947 0.000 -3.216) 5.091 3.324 ( -4.345 0.000 -1.930) 4.755 3.424 ( -1.888 0.000 -4.878) 5.230 3.895 ( 5.899 0.000 1.770) 6.159 4.014 ( -5.069 0.000 -3.957) 6.430 4.086 ( 4.049 0.000 -5.506) 6.834 4.187 ( -7.846 0.000 1.272) 7.948 4.209 ( -17.560 0.000 -5.077) 18.279 4.356 ( -6.741 0.000 -1.444) 6.894 4.405 ( -9.752 0.000 5.423) 11.158 4.849 ( 0.883 0.000 1.182) 1.475 4.995 ( 7.371 0.000 11.778) 13.895 5.005 ( 7.242 0.000 27.877) 28.802 5.058 ( 1.554 0.000 4.579) 4.835 5.249 ( 7.062 0.000 6.938) 9.899 5.403 ( 11.090 0.000 -4.217) 11.864 5.680 ( -8.080 0.000 -2.503) 8.459 5.757 ( 2.327 0.000 -1.889) 2.998 5.800 ( 3.791 0.000 2.305) 4.437 5.875 ( -3.124 0.000 -2.913) 4.271 6.130 ( -10.008 0.000 0.926) 10.050 6.162 ( -1.992 0.000 0.701) 2.112 6.202 ( 11.753 0.000 -1.208) 11.815 6.341 ( 3.527 0.000 -7.200) 8.018 6.525 ( -1.845 0.000 -15.668) 15.776 6.655 ( -0.452 0.000 -4.235) 4.259 6.685 ( -1.567 0.000 -8.584) 8.726 6.975 ( 12.113 0.000 11.187) 16.489 6.983 ( 8.460 0.000 8.612) 12.072 7.010 ( 12.361 0.000 -1.356) 12.435 7.128 ( 1.273 0.000 8.615) 8.708 7.261 ( 3.227 0.000 -6.492) 7.250 7.331 ( -1.947 0.000 -6.679) 6.957 7.647 ( 4.878 0.000 4.206) 6.441 7.744 ( -10.373 0.000 -7.464) 12.779 7.905 ( 7.612 0.000 0.987) 7.676 7.945 ( 3.694 0.000 1.875) 4.143 8.124 ( -2.243 0.000 3.619) 4.258 8.200 ( 3.830 0.000 4.088) 5.602 8.200 ( 3.837 0.000 -4.219) 5.702 8.282 ( -3.469 0.000 -1.305) 3.707 8.384 ( -5.429 0.000 -0.308) 5.437 8.478 ( -10.228 0.000 -7.135) 12.471 8.548 ( 2.229 0.000 3.423) 4.085 8.858 ( 1.901 0.000 1.520) 2.434 8.944 ( 1.679 0.000 0.991) 1.950 9.053 ( -8.462 0.000 -3.916) 9.324 9.087 ( -1.682 0.000 -4.952) 5.230 9.281 ( 8.189 0.000 -6.959) 10.747 9.414 ( -13.673 0.000 1.278) 13.732 9.422 ( -14.682 0.000 -2.774) 14.941 9.759 ( -4.677 0.000 -1.295) 4.853 9.774 ( 4.413 0.000 0.258) 4.421 10.082 ( -4.556 0.000 3.228) 5.584 10.132 ( -2.403 0.000 2.315) 3.337 10.358 ( -3.209 0.000 -0.531) 3.253 10.653 ( 3.044 0.000 0.132) 3.047 10.749 ( 0.296 0.000 2.249) 2.268 11.430 ( 2.433 0.000 -7.114) 7.518 11.478 ( -0.786 0.000 -0.571) 0.971 11.565 ( 2.567 0.000 -4.866) 5.501 11.648 ( -0.705 0.000 -0.822) 1.083 12.436 ( 1.874 0.000 -0.441) 1.925 12.507 ( 0.575 0.000 -2.210) 2.283 12.573 ( -2.076 0.000 -2.057) 2.922 12.655 ( -2.848 0.000 1.064) 3.041 12.958 ( 3.284 0.000 0.199) 3.290 13.118 ( -0.566 0.000 5.038) 5.070 13.210 ( 7.974 0.000 10.471) 13.162 13.223 ( -0.328 0.000 0.417) 0.531 14.052 ( 1.187 0.000 -0.244) 1.212 14.256 ( -0.567 0.000 0.557) 0.795 14.444 ( 10.912 0.000 2.179) 11.128 14.854 ( -4.194 0.000 -1.245) 4.375 15.189 ( -2.808 0.000 2.457) 3.731 15.289 ( 0.101 0.000 -4.189) 4.190 15.327 ( -0.305 0.000 5.345) 5.354 15.589 ( -13.196 0.000 3.037) 13.541 15.597 ( -3.239 0.000 -7.049) 7.757 15.642 ( -0.096 0.000 -0.060) 0.113 15.767 ( 1.657 0.000 3.367) 3.752 15.944 ( -2.237 0.000 -2.101) 3.069 16.327 ( -3.310 0.000 -2.536) 4.170 16.347 ( 0.051 0.000 0.981) 0.983 16.435 ( -6.883 0.000 3.221) 7.599 16.456 ( 1.746 0.000 -6.106) 6.351 16.950 ( 0.857 0.000 -1.866) 2.053 16.962 ( -0.429 0.000 0.469) 0.635 17.144 ( 5.545 0.000 -3.340) 6.473 17.202 ( 1.913 0.000 6.079) 6.373 17.332 ( -7.818 0.000 3.169) 8.436 17.431 ( -1.930 0.000 -0.002) 1.930 17.510 ( 1.109 0.000 -1.586) 1.935 17.800 ( 2.865 0.000 -2.265) 3.652 18.158 ( -2.167 0.000 -0.222) 2.178 18.247 ( 7.600 0.000 -3.082) 8.201 18.318 ( 1.970 0.000 1.336) 2.380 18.513 ( 0.482 0.000 3.618) 3.650 18.601 ( -1.399 0.000 -1.316) 1.920 18.904 ( -1.441 0.000 0.415) 1.500 19.030 ( 3.235 0.000 2.906) 4.348 19.134 ( -1.700 0.000 -0.144) 1.706 20.832 ( -0.046 0.000 -0.097) 0.108 20.857 ( 0.482 0.000 0.222) 0.530 21.013 ( -0.435 0.000 -0.895) 0.995 21.263 ( 1.566 0.000 -2.133) 2.647 21.345 ( -0.176 0.000 0.139) 0.224 21.480 ( 1.068 0.000 -0.233) 1.093 21.547 ( -0.873 0.000 0.720) 1.132 21.586 ( -0.409 0.000 1.341) 1.402 26.714 ( -1.083 0.000 0.168) 1.096 26.859 ( 0.055 0.000 0.151) 0.160 26.927 ( 1.082 0.000 0.612) 1.243 26.960 ( 0.108 0.000 -0.163) 0.196 27.642 ( -0.324 0.000 -0.440) 0.546 27.662 ( -0.076 0.000 -0.488) 0.494 27.735 ( 0.288 0.000 0.260) 0.388 27.794 ( 1.625 0.000 0.149) 1.632 35.566 ( -0.694 0.000 0.561) 0.892 35.845 ( 1.807 0.000 1.900) 2.622 36.043 ( -2.157 0.000 3.889) 4.447 36.175 ( 0.793 0.000 2.764) 2.875 36.956 ( -2.792 0.000 6.667) 7.228 37.097 ( 0.430 0.000 0.351) 0.555 37.343 ( 0.692 0.000 -0.740) 1.013 37.470 ( -3.111 0.000 -1.787) 3.588 37.532 ( -4.037 0.000 -1.950) 4.483 37.927 ( 0.531 0.000 -1.011) 1.142 38.060 ( -1.625 0.000 0.127) 1.630 38.221 ( 14.396 0.000 1.381) 14.463 39.010 ( -4.292 0.000 11.975) 12.721 39.390 ( 3.073 0.000 -6.211) 6.930 39.842 ( -2.038 0.000 -14.719) 14.860 40.924 ( 8.793 0.000 -16.186) 18.420 ======================= Grid point 3 (4/100) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 0.000 0.000 0.000) 0.000 1.694 ( -0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.256 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 -0.000) 0.000 2.636 ( 0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 3.091 ( -0.000 0.000 -0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.010 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.290 ( -0.000 0.000 0.000) 0.000 4.864 ( -0.000 0.000 0.000) 0.000 5.064 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 0.000) 0.000 5.325 ( 0.000 0.000 0.000) 0.000 5.344 ( 0.000 0.000 0.000) 0.000 5.383 ( -0.000 0.000 -0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.677 ( -0.000 0.000 -0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 6.067 ( -0.000 0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.396 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.554 ( 0.000 0.000 0.000) 0.000 6.589 ( 0.000 0.000 0.000) 0.000 7.084 ( -0.000 0.000 0.000) 0.000 7.084 ( 0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.256 ( -0.000 0.000 -0.000) 0.000 7.278 ( 0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 7.613 ( 0.000 0.000 0.000) 0.000 7.645 ( -0.000 0.000 -0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.099 ( -0.000 0.000 -0.000) 0.000 8.160 ( -0.000 0.000 -0.000) 0.000 8.181 ( 0.000 0.000 0.000) 0.000 8.252 ( 0.000 0.000 0.000) 0.000 8.265 ( -0.000 0.000 0.000) 0.000 8.507 ( -0.000 0.000 -0.000) 0.000 8.652 ( 0.000 0.000 0.000) 0.000 8.666 ( 0.000 0.000 0.000) 0.000 8.900 ( -0.000 0.000 -0.000) 0.000 9.013 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 0.000) 0.000 9.237 ( 0.000 0.000 0.000) 0.000 9.254 ( 0.000 0.000 0.000) 0.000 9.392 ( -0.000 0.000 0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 9.815 ( 0.000 0.000 0.000) 0.000 10.057 ( 0.000 0.000 0.000) 0.000 10.133 ( 0.000 0.000 0.000) 0.000 10.321 ( 0.000 0.000 0.000) 0.000 10.683 ( 0.000 0.000 0.000) 0.000 10.765 ( 0.000 0.000 0.000) 0.000 11.418 ( 0.000 0.000 0.000) 0.000 11.466 ( 0.000 0.000 0.000) 0.000 11.560 ( 0.000 0.000 0.000) 0.000 11.636 ( 0.000 0.000 0.000) 0.000 12.452 ( 0.000 0.000 0.000) 0.000 12.503 ( 0.000 0.000 0.000) 0.000 12.542 ( 0.000 0.000 0.000) 0.000 12.633 ( 0.000 0.000 0.000) 0.000 12.989 ( 0.000 0.000 0.000) 0.000 13.136 ( 0.000 0.000 0.000) 0.000 13.226 ( 0.000 0.000 0.000) 0.000 13.357 ( 0.000 0.000 0.000) 0.000 14.066 ( 0.000 0.000 0.000) 0.000 14.254 ( 0.000 0.000 0.000) 0.000 14.613 ( 0.000 0.000 0.000) 0.000 14.759 ( 0.000 0.000 0.000) 0.000 15.160 ( 0.000 0.000 0.000) 0.000 15.268 ( 0.000 0.000 0.000) 0.000 15.363 ( 0.000 0.000 0.000) 0.000 15.434 ( 0.000 0.000 0.000) 0.000 15.527 ( 0.000 0.000 0.000) 0.000 15.665 ( 0.000 0.000 0.000) 0.000 15.805 ( 0.000 0.000 0.000) 0.000 15.911 ( 0.000 0.000 0.000) 0.000 16.276 ( 0.000 0.000 0.000) 0.000 16.351 ( 0.000 0.000 0.000) 0.000 16.382 ( 0.000 0.000 0.000) 0.000 16.440 ( 0.000 0.000 0.000) 0.000 16.956 ( 0.000 0.000 0.000) 0.000 16.961 ( 0.000 0.000 0.000) 0.000 17.208 ( 0.000 0.000 0.000) 0.000 17.240 ( -0.000 0.000 0.000) 0.000 17.253 ( 0.000 0.000 0.000) 0.000 17.411 ( 0.000 0.000 0.000) 0.000 17.513 ( 0.000 0.000 0.000) 0.000 17.817 ( 0.000 0.000 0.000) 0.000 18.132 ( 0.000 0.000 0.000) 0.000 18.313 ( 0.000 0.000 0.000) 0.000 18.346 ( 0.000 0.000 0.000) 0.000 18.529 ( 0.000 0.000 0.000) 0.000 18.582 ( 0.000 0.000 0.000) 0.000 18.895 ( 0.000 0.000 0.000) 0.000 19.076 ( 0.000 0.000 0.000) 0.000 19.114 ( 0.000 0.000 0.000) 0.000 20.831 ( 0.000 0.000 0.000) 0.000 20.864 ( 0.000 0.000 0.000) 0.000 21.004 ( 0.000 0.000 0.000) 0.000 21.267 ( 0.000 0.000 0.000) 0.000 21.344 ( 0.000 0.000 0.000) 0.000 21.491 ( 0.000 0.000 0.000) 0.000 21.540 ( 0.000 0.000 0.000) 0.000 21.589 ( 0.000 0.000 0.000) 0.000 26.704 ( 0.000 0.000 0.000) 0.000 26.860 ( 0.000 0.000 0.000) 0.000 26.941 ( 0.000 0.000 0.000) 0.000 26.960 ( 0.000 0.000 0.000) 0.000 27.636 ( 0.000 0.000 0.000) 0.000 27.658 ( 0.000 0.000 0.000) 0.000 27.740 ( 0.000 0.000 0.000) 0.000 27.811 ( 0.000 0.000 0.000) 0.000 35.562 ( 0.000 0.000 0.000) 0.000 35.877 ( -0.000 0.000 0.000) 0.000 36.041 ( 0.000 0.000 0.000) 0.000 36.195 ( 0.000 0.000 0.000) 0.000 36.963 ( 0.000 0.000 0.000) 0.000 37.103 ( 0.000 0.000 0.000) 0.000 37.346 ( 0.000 0.000 0.000) 0.000 37.452 ( 0.000 0.000 0.000) 0.000 37.458 ( -0.000 0.000 -0.000) 0.000 37.927 ( 0.000 0.000 0.000) 0.000 38.044 ( 0.000 0.000 0.000) 0.000 38.394 ( 0.000 0.000 0.000) 0.000 39.016 ( 0.000 0.000 0.000) 0.000 39.389 ( 0.000 0.000 0.000) 0.000 39.738 ( 0.000 0.000 0.000) 0.000 40.928 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/100) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 0.000 26.975 0.000) 26.975 0.581 ( 0.000 29.441 0.000) 29.441 0.886 ( 0.000 43.634 0.000) 43.634 1.765 ( 0.000 7.038 0.000) 7.038 1.888 ( 0.000 5.457 0.000) 5.457 2.437 ( 0.000 -2.375 0.000) 2.375 2.447 ( 0.000 2.942 0.000) 2.942 2.532 ( 0.000 1.595 0.000) 1.595 2.744 ( 0.000 -1.788 0.000) 1.788 3.210 ( 0.000 -7.692 0.000) 7.692 3.214 ( 0.000 2.286 0.000) 2.286 3.324 ( 0.000 -3.483 0.000) 3.483 3.368 ( 0.000 -6.662 0.000) 6.662 3.876 ( 0.000 -3.320 0.000) 3.320 4.064 ( 0.000 5.340 0.000) 5.340 4.109 ( 0.000 -3.369 0.000) 3.369 4.188 ( 0.000 5.108 0.000) 5.108 4.466 ( 0.000 -1.070 0.000) 1.070 4.529 ( 0.000 -6.321 0.000) 6.321 4.668 ( 0.000 7.786 0.000) 7.786 4.683 ( 0.000 6.724 0.000) 6.724 4.907 ( 0.000 2.856 0.000) 2.856 4.914 ( 0.000 4.387 0.000) 4.387 5.077 ( 0.000 -0.710 0.000) 0.710 5.122 ( 0.000 -2.281 0.000) 2.281 5.273 ( 0.000 -1.186 0.000) 1.186 5.341 ( 0.000 -4.254 0.000) 4.254 5.555 ( 0.000 -4.339 0.000) 4.339 5.700 ( 0.000 -1.633 0.000) 1.633 5.814 ( 0.000 7.654 0.000) 7.654 6.022 ( 0.000 -6.525 0.000) 6.525 6.189 ( 0.000 -12.133 0.000) 12.133 6.295 ( 0.000 -0.548 0.000) 0.548 6.446 ( 0.000 6.211 0.000) 6.211 6.553 ( 0.000 1.217 0.000) 1.217 6.672 ( 0.000 -0.578 0.000) 0.578 6.695 ( 0.000 0.662 0.000) 0.662 6.729 ( 0.000 -0.380 0.000) 0.380 6.841 ( 0.000 5.287 0.000) 5.287 6.983 ( 0.000 2.430 0.000) 2.430 7.131 ( 0.000 11.452 0.000) 11.452 7.201 ( 0.000 2.267 0.000) 2.267 7.330 ( 0.000 8.054 0.000) 8.054 7.350 ( 0.000 -0.942 0.000) 0.942 7.651 ( 0.000 -3.900 0.000) 3.900 7.859 ( 0.000 -5.837 0.000) 5.837 7.916 ( 0.000 2.355 0.000) 2.355 8.150 ( 0.000 -5.100 0.000) 5.100 8.219 ( 0.000 -3.154 0.000) 3.154 8.305 ( 0.000 -4.182 0.000) 4.182 8.437 ( 0.000 -0.678 0.000) 0.678 8.479 ( 0.000 4.347 0.000) 4.347 8.595 ( 0.000 -5.155 0.000) 5.155 8.645 ( 0.000 -0.627 0.000) 0.627 8.934 ( 0.000 6.053 0.000) 6.053 8.986 ( 0.000 -7.097 0.000) 7.097 9.100 ( 0.000 -13.123 0.000) 13.123 9.253 ( 0.000 11.027 0.000) 11.027 9.461 ( 0.000 3.439 0.000) 3.439 9.534 ( 0.000 -0.302 0.000) 0.302 9.546 ( 0.000 1.865 0.000) 1.865 9.788 ( 0.000 2.365 0.000) 2.365 9.990 ( 0.000 -3.280 0.000) 3.280 10.203 ( 0.000 -4.762 0.000) 4.762 10.412 ( 0.000 -6.691 0.000) 6.691 10.445 ( 0.000 -0.644 0.000) 0.644 10.610 ( 0.000 5.795 0.000) 5.795 11.001 ( 0.000 0.441 0.000) 0.441 11.295 ( 0.000 5.053 0.000) 5.053 11.455 ( 0.000 -3.150 0.000) 3.150 11.667 ( 0.000 -1.056 0.000) 1.056 11.722 ( 0.000 3.013 0.000) 3.013 12.368 ( 0.000 -1.118 0.000) 1.118 12.612 ( 0.000 -3.695 0.000) 3.695 12.637 ( 0.000 -0.049 0.000) 0.049 12.748 ( 0.000 -1.351 0.000) 1.351 12.883 ( 0.000 -2.433 0.000) 2.433 12.922 ( 0.000 -3.372 0.000) 3.372 12.936 ( 0.000 -0.666 0.000) 0.666 13.039 ( 0.000 1.124 0.000) 1.124 14.047 ( 0.000 0.110 0.000) 0.110 14.198 ( 0.000 5.498 0.000) 5.498 14.341 ( 0.000 6.049 0.000) 6.049 14.569 ( 0.000 1.202 0.000) 1.202 15.016 ( 0.000 -0.092 0.000) 0.092 15.167 ( 0.000 2.530 0.000) 2.530 15.341 ( 0.000 -1.458 0.000) 1.458 15.445 ( 0.000 -9.560 0.000) 9.560 15.570 ( 0.000 -0.520 0.000) 0.520 15.748 ( 0.000 2.837 0.000) 2.837 16.043 ( 0.000 0.353 0.000) 0.353 16.140 ( 0.000 -2.623 0.000) 2.623 16.166 ( 0.000 -2.621 0.000) 2.621 16.450 ( 0.000 -0.536 0.000) 0.536 16.482 ( 0.000 -0.669 0.000) 0.669 16.507 ( 0.000 1.885 0.000) 1.885 16.907 ( 0.000 -0.905 0.000) 0.905 17.033 ( 0.000 3.365 0.000) 3.365 17.070 ( 0.000 2.810 0.000) 2.810 17.147 ( 0.000 -4.359 0.000) 4.359 17.450 ( 0.000 -1.508 0.000) 1.508 17.510 ( 0.000 -0.089 0.000) 0.089 17.525 ( 0.000 2.503 0.000) 2.503 17.608 ( 0.000 3.798 0.000) 3.798 18.050 ( 0.000 2.678 0.000) 2.678 18.182 ( 0.000 -0.438 0.000) 0.438 18.357 ( 0.000 -3.684 0.000) 3.684 18.422 ( 0.000 -1.030 0.000) 1.030 18.758 ( 0.000 -0.288 0.000) 0.288 18.841 ( 0.000 2.336 0.000) 2.336 18.959 ( 0.000 2.637 0.000) 2.637 19.158 ( 0.000 -1.869 0.000) 1.869 20.860 ( 0.000 2.426 0.000) 2.426 20.924 ( 0.000 3.172 0.000) 3.172 21.135 ( 0.000 0.810 0.000) 0.810 21.350 ( 0.000 0.160 0.000) 0.160 21.441 ( 0.000 -1.328 0.000) 1.328 21.519 ( 0.000 -2.303 0.000) 2.303 21.575 ( 0.000 0.788 0.000) 0.788 21.867 ( 0.000 -2.152 0.000) 2.152 26.749 ( 0.000 0.870 0.000) 0.870 26.860 ( 0.000 0.370 0.000) 0.370 26.879 ( 0.000 -0.368 0.000) 0.368 26.966 ( 0.000 -0.603 0.000) 0.603 27.660 ( 0.000 0.100 0.000) 0.100 27.673 ( 0.000 -0.045 0.000) 0.045 27.721 ( 0.000 -0.025 0.000) 0.025 27.738 ( 0.000 -0.024 0.000) 0.024 35.586 ( 0.000 0.782 0.000) 0.782 35.866 ( 0.000 1.904 0.000) 1.904 35.872 ( 0.000 -1.197 0.000) 1.197 36.091 ( 0.000 0.024 0.000) 0.024 36.798 ( 0.000 0.782 0.000) 0.782 37.062 ( 0.000 -1.495 0.000) 1.495 37.355 ( 0.000 2.165 0.000) 2.165 37.720 ( 0.000 -0.552 0.000) 0.552 37.751 ( 0.000 -1.005 0.000) 1.005 37.780 ( 0.000 3.480 0.000) 3.480 37.855 ( 0.000 -3.480 0.000) 3.480 37.967 ( 0.000 0.705 0.000) 0.705 38.124 ( 0.000 1.824 0.000) 1.824 39.615 ( 0.000 -9.612 0.000) 9.612 40.074 ( 0.000 -2.786 0.000) 2.786 40.085 ( 0.000 -1.888 0.000) 1.888 ======================= Grid point 8 (6/100) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 15.708 13.565 14.086) 25.083 0.914 ( 23.252 16.789 8.933) 30.039 1.442 ( 33.130 23.562 13.417) 42.811 1.795 ( 3.735 3.961 -0.553) 5.472 1.913 ( 2.375 7.705 2.096) 8.331 2.378 ( -1.432 0.032 -2.948) 3.278 2.484 ( -1.070 1.717 5.219) 5.598 2.524 ( -4.581 1.412 3.752) 6.087 2.708 ( -0.547 -1.797 -4.335) 4.725 3.090 ( -5.403 -0.410 0.472) 5.439 3.215 ( -1.769 -1.446 -10.456) 10.703 3.344 ( 1.952 -7.980 -5.189) 9.717 3.435 ( 4.925 -1.595 0.408) 5.193 3.802 ( -2.324 0.852 -1.934) 3.141 3.943 ( -2.453 -3.202 5.611) 6.911 4.112 ( 2.771 1.346 -7.066) 7.708 4.350 ( -3.380 2.180 2.953) 4.990 4.432 ( -6.388 -4.093 3.214) 8.239 4.531 ( 0.256 -0.759 0.609) 1.006 4.672 ( -10.012 6.114 -0.567) 11.745 4.742 ( -2.520 7.627 12.613) 14.954 4.827 ( -4.530 3.823 6.971) 9.151 4.945 ( 8.914 3.678 6.654) 11.716 5.037 ( -7.134 3.779 -3.168) 8.672 5.121 ( 4.941 0.906 0.704) 5.072 5.198 ( 4.637 -0.063 0.815) 4.708 5.478 ( 12.459 -8.209 -0.503) 14.929 5.707 ( 7.809 7.186 0.337) 10.618 5.756 ( 2.342 -5.388 -1.711) 6.119 5.850 ( 2.518 -9.403 6.293) 11.591 6.022 ( -2.428 -0.623 -1.096) 2.736 6.180 ( 2.106 -2.156 1.563) 3.395 6.310 ( 0.570 0.384 -1.537) 1.684 6.418 ( 0.426 7.605 -3.194) 8.259 6.526 ( 0.109 -3.888 -2.255) 4.496 6.605 ( 2.253 -2.976 -9.350) 10.068 6.720 ( 2.782 0.413 0.884) 2.948 6.729 ( 5.347 -1.158 -3.249) 6.363 6.915 ( 0.854 -1.394 -1.542) 2.247 6.981 ( -3.803 6.644 3.052) 8.242 7.100 ( 2.548 9.333 2.340) 9.953 7.187 ( 4.074 5.723 -5.336) 8.822 7.456 ( 6.326 -2.719 1.190) 6.988 7.510 ( 9.961 2.129 -1.467) 10.291 7.693 ( -3.209 -4.960 -2.704) 6.497 7.818 ( 5.871 -3.621 2.610) 7.376 7.954 ( -0.542 -1.651 -0.326) 1.768 8.106 ( -7.399 -3.733 -0.010) 8.288 8.188 ( 3.599 -0.633 1.377) 3.905 8.262 ( -2.440 0.621 -6.377) 6.856 8.411 ( -9.000 -0.247 -1.712) 9.165 8.469 ( -2.871 -3.836 1.260) 4.954 8.485 ( 0.948 3.936 0.254) 4.056 8.701 ( -1.867 3.526 -1.272) 4.188 8.811 ( -0.997 -3.552 -0.734) 3.761 8.984 ( -4.240 3.849 0.261) 5.733 9.059 ( -5.988 1.724 -1.934) 6.525 9.139 ( -1.334 -3.426 6.871) 7.793 9.351 ( -2.655 3.810 -10.607) 11.579 9.542 ( -1.614 -3.789 0.312) 4.131 9.659 ( 4.672 0.276 0.768) 4.743 9.720 ( -6.964 1.458 -0.320) 7.122 9.876 ( -6.022 1.158 -2.880) 6.775 10.136 ( -6.982 -4.568 1.727) 8.521 10.232 ( -12.127 -0.365 -0.139) 12.133 10.419 ( -4.576 -2.650 -0.672) 5.330 10.632 ( 6.399 6.057 -4.942) 10.102 10.853 ( -2.664 10.458 2.631) 11.108 11.417 ( 5.061 -2.954 -2.188) 6.256 11.448 ( 3.348 -1.373 -7.878) 8.670 11.618 ( -0.163 4.075 -7.605) 8.630 11.662 ( -0.449 -0.864 -0.666) 1.180 12.384 ( 2.384 -1.134 -0.674) 2.724 12.541 ( -0.632 0.143 -4.045) 4.097 12.614 ( -2.285 -1.575 -1.145) 3.002 12.701 ( -3.737 -1.304 0.502) 3.990 12.831 ( 3.471 -2.657 1.160) 4.522 12.950 ( 3.848 -2.434 6.706) 8.106 13.069 ( 1.562 0.441 5.953) 6.170 13.207 ( -0.402 -3.499 7.176) 7.994 14.086 ( 1.420 4.230 0.017) 4.462 14.249 ( -1.797 1.431 1.384) 2.682 14.292 ( 6.967 3.571 1.169) 7.916 14.926 ( 4.222 -2.221 -4.968) 6.888 15.000 ( 6.596 -8.770 3.515) 11.522 15.272 ( -4.659 -2.724 16.994) 17.831 15.310 ( -0.047 -2.083 -4.368) 4.839 15.467 ( -1.235 -7.917 6.786) 10.500 15.591 ( 0.667 -5.456 -1.593) 5.722 15.740 ( 0.753 0.863 -4.242) 4.394 15.944 ( -11.759 2.094 2.649) 12.234 16.054 ( 0.759 3.257 -3.627) 4.933 16.254 ( 3.233 -5.738 -1.589) 6.775 16.422 ( -3.115 0.478 -0.115) 3.154 16.445 ( -3.915 -2.810 3.199) 5.785 16.501 ( -0.202 0.695 -2.433) 2.538 16.900 ( -0.390 -2.280 -0.236) 2.326 17.007 ( -1.292 0.549 -3.435) 3.711 17.089 ( 3.073 2.082 3.834) 5.337 17.173 ( 0.314 2.896 1.914) 3.486 17.423 ( -4.344 -0.991 1.748) 4.786 17.446 ( -2.618 -1.277 0.054) 2.913 17.560 ( -0.611 3.592 -2.037) 4.175 17.704 ( 8.611 -1.879 -0.728) 8.844 18.108 ( 5.693 0.946 -0.630) 5.806 18.185 ( 0.248 -0.136 0.885) 0.929 18.345 ( 1.290 1.077 -3.367) 3.763 18.449 ( 2.051 -0.173 1.795) 2.732 18.692 ( -3.476 1.963 -1.360) 4.217 18.918 ( 3.775 0.291 2.167) 4.363 18.956 ( -0.790 2.096 1.265) 2.572 19.139 ( -2.198 -2.207 0.869) 3.234 20.861 ( 0.057 2.723 0.191) 2.730 20.915 ( -0.554 4.014 -0.150) 4.055 21.111 ( -2.514 2.810 -0.491) 3.802 21.348 ( -0.848 0.311 0.624) 1.098 21.406 ( -5.020 7.456 -10.458) 13.790 21.453 ( 0.506 -0.695 -0.224) 0.888 21.572 ( -0.561 0.446 0.449) 0.846 21.592 ( -5.817 3.716 2.227) 7.253 26.742 ( -0.966 0.706 0.049) 1.197 26.864 ( 0.137 0.416 0.290) 0.525 26.885 ( 0.580 -0.703 0.547) 1.063 26.962 ( -0.081 -0.124 -0.064) 0.162 27.653 ( -0.325 0.036 -0.483) 0.583 27.673 ( 0.040 0.342 -0.297) 0.455 27.728 ( 0.525 0.063 0.021) 0.529 27.754 ( 1.537 -0.304 0.140) 1.573 35.582 ( -0.702 0.806 0.597) 1.224 35.833 ( 0.928 3.189 0.933) 3.450 35.988 ( -2.569 -4.469 9.547) 10.850 36.131 ( 1.465 0.536 3.836) 4.141 36.906 ( -3.111 -2.279 13.596) 14.132 37.070 ( 0.477 -1.333 0.613) 1.543 37.359 ( 0.814 2.296 -0.710) 2.537 37.598 ( -6.696 0.547 -1.258) 6.835 37.653 ( -3.990 3.186 -2.245) 5.577 37.930 ( 10.521 -0.681 3.599) 11.141 37.942 ( 3.409 0.943 -3.353) 4.873 38.107 ( -2.187 1.777 1.084) 3.019 38.485 ( 27.815 -26.957 -2.793) 38.834 39.484 ( -3.666 -0.790 -3.232) 4.951 39.986 ( -3.913 -3.131 -9.626) 10.853 40.484 ( 28.415 -24.564 -15.609) 40.674 ======================= Grid point 9 (7/100) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 18.199 3.530 10.077) 21.100 1.431 ( 20.380 7.781 9.056) 23.620 1.803 ( 2.865 2.314 -1.152) 3.859 1.840 ( -1.187 3.431 0.988) 3.763 2.239 ( 12.264 3.472 0.257) 12.748 2.343 ( -2.606 3.825 -1.125) 4.764 2.433 ( 1.476 5.223 11.703) 12.900 2.564 ( 3.067 2.886 5.753) 7.130 2.674 ( 1.956 -0.172 -1.857) 2.702 2.956 ( -6.498 0.830 -4.179) 7.770 3.144 ( 0.390 -1.546 -1.807) 2.409 3.297 ( -0.557 -1.496 -0.668) 1.730 3.462 ( 0.126 3.231 -2.181) 3.900 3.816 ( -0.384 -7.182 3.435) 7.971 3.985 ( 2.216 -0.447 2.598) 3.443 4.102 ( -0.128 1.367 -12.140) 12.217 4.200 ( -7.399 -0.923 -3.811) 8.374 4.296 ( -11.632 6.577 -3.088) 13.714 4.328 ( -7.507 -0.097 4.207) 8.606 4.453 ( -11.091 4.323 2.741) 12.215 4.886 ( 0.370 2.952 1.663) 3.408 4.990 ( 5.109 1.662 13.021) 14.086 5.060 ( 9.386 3.632 11.436) 15.234 5.123 ( -0.697 5.392 11.940) 13.120 5.260 ( 8.330 1.395 5.587) 10.127 5.378 ( 12.100 -1.555 -1.889) 12.345 5.613 ( -7.338 -6.435 -3.045) 10.224 5.670 ( 3.959 -6.306 -2.846) 7.971 5.843 ( 2.811 4.021 3.377) 5.956 5.898 ( -2.377 0.219 -2.875) 3.737 6.011 ( 0.845 -8.671 -0.838) 8.752 6.180 ( -6.327 3.193 0.028) 7.087 6.276 ( 5.775 3.906 0.446) 6.986 6.460 ( 4.463 9.617 -3.825) 11.271 6.504 ( 0.620 -1.001 -11.986) 12.043 6.624 ( 2.297 -2.935 -1.447) 3.998 6.684 ( -0.867 -0.483 -11.982) 12.023 6.860 ( 7.114 -5.712 5.511) 10.659 6.983 ( 4.940 -1.587 1.184) 5.322 7.041 ( 9.867 0.525 7.899) 12.650 7.198 ( 1.494 3.642 7.009) 8.039 7.307 ( -8.924 2.151 -10.196) 13.719 7.318 ( 10.124 2.307 -0.182) 10.385 7.666 ( 3.293 0.029 3.321) 4.677 7.698 ( -2.070 -1.103 -4.989) 5.513 7.812 ( 1.769 -4.191 -0.971) 4.651 8.012 ( 5.096 -0.796 4.776) 7.030 8.034 ( -2.827 -5.437 2.596) 6.655 8.151 ( -3.616 -3.196 -1.133) 4.957 8.273 ( -1.685 3.760 -3.130) 5.175 8.303 ( 2.752 3.283 4.752) 6.398 8.438 ( -1.594 3.722 -3.583) 5.406 8.490 ( -2.685 1.131 -2.202) 3.652 8.579 ( 0.180 2.898 -1.537) 3.285 8.828 ( -1.985 -1.787 -0.753) 2.775 8.918 ( -3.852 -5.840 -4.267) 8.194 9.017 ( 1.612 1.813 3.730) 4.449 9.121 ( -3.502 0.001 -1.442) 3.787 9.249 ( -0.001 -0.244 -5.699) 5.705 9.409 ( -7.610 -0.174 -3.834) 8.523 9.480 ( -14.164 3.301 -0.151) 14.545 9.723 ( -3.343 -3.152 -1.742) 4.914 9.760 ( 1.678 -1.953 -1.834) 3.161 10.038 ( -4.816 -4.691 2.639) 7.223 10.120 ( -2.395 -0.342 2.124) 3.219 10.317 ( -4.758 -3.626 -0.715) 6.024 10.713 ( 3.648 5.538 -0.063) 6.632 10.856 ( -0.484 8.494 2.180) 8.782 11.430 ( 1.670 -0.462 -4.922) 5.218 11.445 ( 1.025 -2.620 -2.489) 3.756 11.569 ( 0.321 0.567 -4.095) 4.146 11.648 ( -0.410 -0.109 -0.414) 0.593 12.426 ( 2.458 -0.663 -0.863) 2.688 12.509 ( 0.243 -1.028 -2.574) 2.783 12.561 ( -1.528 0.295 -1.230) 1.984 12.649 ( -2.645 -0.726 1.137) 2.969 12.900 ( 2.857 -5.014 0.020) 5.771 13.070 ( 0.641 -3.878 5.169) 6.494 13.199 ( 2.798 -0.954 4.219) 5.152 13.255 ( 3.808 1.477 5.755) 7.057 14.098 ( 0.635 4.522 -0.634) 4.610 14.239 ( -0.757 -0.523 1.565) 1.815 14.484 ( 10.875 2.823 1.441) 11.327 14.863 ( -4.773 0.803 -0.811) 4.907 15.094 ( -0.559 -7.735 0.221) 7.758 15.262 ( 0.396 -3.492 -2.694) 4.428 15.294 ( -3.780 -3.317 6.197) 7.981 15.483 ( -5.876 -6.285 5.414) 10.166 15.561 ( 2.293 -3.259 -6.299) 7.454 15.626 ( -5.743 -1.399 -3.668) 6.957 15.873 ( -1.805 7.232 6.519) 9.902 16.009 ( -0.783 5.312 -3.897) 6.634 16.258 ( -0.208 -4.876 -3.067) 5.764 16.370 ( -2.534 -0.201 1.746) 3.084 16.395 ( -4.214 -1.273 3.345) 5.529 16.469 ( 1.358 0.897 -5.915) 6.134 16.902 ( 1.122 -3.569 -0.558) 3.783 16.974 ( -0.019 0.659 -1.441) 1.585 17.160 ( 2.699 -0.292 -1.405) 3.057 17.224 ( 1.433 2.307 4.719) 5.445 17.320 ( -6.425 0.071 1.459) 6.589 17.429 ( -0.669 -0.168 1.224) 1.405 17.527 ( -0.356 1.721 -2.414) 2.986 17.807 ( 2.741 0.286 0.084) 2.757 18.202 ( 1.450 3.516 -0.845) 3.896 18.227 ( 7.091 -0.592 -1.384) 7.249 18.351 ( 1.153 1.839 -1.146) 2.455 18.501 ( 0.692 -0.720 2.260) 2.471 18.628 ( -2.614 2.275 0.164) 3.469 18.927 ( -0.551 1.956 -0.588) 2.116 19.022 ( 2.679 -0.845 2.417) 3.706 19.103 ( -2.278 -2.811 0.771) 3.699 20.865 ( 0.115 3.322 0.247) 3.334 20.908 ( -0.120 4.203 0.007) 4.205 21.053 ( -1.837 3.236 -1.306) 3.944 21.295 ( -0.619 2.955 -2.222) 3.749 21.351 ( 0.146 0.597 -0.570) 0.839 21.475 ( 1.502 -0.597 -0.092) 1.619 21.552 ( -1.526 0.583 0.385) 1.679 21.575 ( -0.530 -1.139 1.270) 1.786 26.721 ( -1.068 0.719 0.114) 1.292 26.868 ( 0.107 0.858 0.197) 0.887 26.906 ( 0.776 -1.635 0.519) 1.883 26.962 ( 0.107 -0.054 -0.012) 0.121 27.643 ( -0.207 0.233 -0.346) 0.466 27.668 ( -0.064 0.609 -0.428) 0.747 27.739 ( 0.461 0.267 0.134) 0.550 27.787 ( 1.466 -0.681 0.140) 1.622 35.574 ( -0.680 0.867 0.584) 1.247 35.877 ( 1.720 3.140 1.969) 4.086 36.005 ( -1.641 -3.321 3.558) 5.136 36.196 ( 1.198 1.587 3.210) 3.776 36.948 ( -1.716 -0.571 5.729) 6.008 37.087 ( 0.497 -1.003 0.558) 1.251 37.368 ( 0.788 2.588 -0.816) 2.826 37.482 ( -3.124 0.801 -2.099) 3.848 37.551 ( -4.333 1.832 -2.269) 5.223 37.964 ( 1.950 3.346 -1.697) 4.228 38.069 ( -2.830 1.295 1.385) 3.406 38.197 ( 13.158 -2.518 1.523) 13.483 38.787 ( 6.441 -17.385 5.028) 19.210 39.437 ( -1.670 -0.194 2.552) 3.056 39.772 ( -4.195 -5.739 -16.069) 17.571 40.704 ( 10.777 -19.162 -9.865) 24.097 ======================= Grid point 10 (8/100) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 -0.312 0.000) 0.312 1.734 ( 0.000 2.974 0.000) 2.974 1.757 ( -0.000 5.828 0.000) 5.828 1.851 ( 0.000 0.263 0.000) 0.263 2.158 ( 0.000 4.880 0.000) 4.880 2.316 ( 0.000 4.524 0.000) 4.524 2.513 ( 0.000 -6.305 0.000) 6.305 2.688 ( 0.000 2.449 -0.000) 2.449 2.838 ( -0.000 1.290 -0.000) 1.290 2.842 ( 0.000 -0.827 0.000) 0.827 3.129 ( 0.000 3.514 0.000) 3.514 3.283 ( 0.000 1.018 0.000) 1.018 3.543 ( 0.000 3.670 0.000) 3.670 3.741 ( 0.000 4.826 0.000) 4.826 3.866 ( -0.000 -7.493 0.000) 7.493 4.036 ( 0.000 6.591 0.000) 6.591 4.206 ( 0.000 -5.113 0.000) 5.113 4.236 ( 0.000 6.769 -0.000) 6.769 4.255 ( 0.000 -3.110 0.000) 3.110 4.312 ( -0.000 6.682 -0.000) 6.682 4.904 ( -0.000 3.798 0.000) 3.798 5.093 ( 0.000 2.756 0.000) 2.756 5.232 ( 0.000 -2.225 0.000) 2.225 5.332 ( 0.000 -3.593 0.000) 3.593 5.335 ( -0.000 0.496 -0.000) 0.496 5.416 ( 0.000 5.475 -0.000) 5.475 5.560 ( 0.000 -5.708 0.000) 5.708 5.697 ( -0.000 2.208 -0.000) 2.208 5.777 ( 0.000 -1.260 0.000) 1.260 5.936 ( 0.000 4.792 0.000) 4.792 5.949 ( 0.000 -8.058 -0.000) 8.058 6.185 ( 0.000 3.331 0.000) 3.331 6.317 ( 0.000 -3.694 0.000) 3.694 6.467 ( 0.000 9.996 0.000) 9.996 6.504 ( 0.000 9.240 0.000) 9.240 6.525 ( 0.000 -2.648 0.000) 2.648 6.622 ( 0.000 2.758 0.000) 2.758 6.995 ( -0.000 -5.522 -0.000) 5.522 7.000 ( 0.000 -5.863 0.000) 5.863 7.134 ( 0.000 -11.294 0.000) 11.294 7.159 ( 0.000 1.790 0.000) 1.790 7.356 ( 0.000 3.825 0.000) 3.825 7.513 ( 0.000 3.349 0.000) 3.349 7.625 ( 0.000 3.173 0.000) 3.173 7.654 ( 0.000 0.912 0.000) 0.912 7.886 ( 0.000 -7.373 0.000) 7.373 8.014 ( 0.000 -9.257 0.000) 9.257 8.130 ( 0.000 -3.115 0.000) 3.115 8.141 ( 0.000 1.980 -0.000) 1.980 8.187 ( 0.000 3.411 0.000) 3.411 8.284 ( 0.000 8.145 -0.000) 8.145 8.382 ( -0.000 0.731 0.000) 0.731 8.490 ( -0.000 -0.629 -0.000) 0.629 8.632 ( 0.000 -0.966 0.000) 0.966 8.700 ( 0.000 4.938 0.000) 4.938 8.936 ( -0.000 2.630 -0.000) 2.630 8.978 ( 0.000 -4.998 0.000) 4.998 9.115 ( 0.000 2.499 0.000) 2.499 9.157 ( 0.000 -3.625 0.000) 3.625 9.299 ( 0.000 2.596 0.000) 2.596 9.409 ( 0.000 0.794 0.000) 0.794 9.631 ( 0.000 -3.012 0.000) 3.012 9.786 ( 0.000 -2.931 0.000) 2.931 10.001 ( 0.000 -4.854 0.000) 4.854 10.123 ( 0.000 -1.522 0.000) 1.522 10.261 ( 0.000 -4.553 0.000) 4.553 10.748 ( 0.000 5.690 0.000) 5.690 10.864 ( 0.000 8.030 0.000) 8.030 11.421 ( 0.000 0.447 0.000) 0.447 11.438 ( 0.000 -3.264 0.000) 3.264 11.551 ( 0.000 -0.279 0.000) 0.279 11.641 ( 0.000 0.391 0.000) 0.391 12.447 ( 0.000 -0.269 0.000) 0.269 12.497 ( 0.000 -1.973 0.000) 1.973 12.542 ( 0.000 1.573 0.000) 1.573 12.629 ( 0.000 -0.462 0.000) 0.462 12.929 ( 0.000 -5.331 0.000) 5.331 13.097 ( 0.000 -3.486 0.000) 3.486 13.222 ( 0.000 -0.840 0.000) 0.840 13.367 ( 0.000 0.395 0.000) 0.395 14.103 ( 0.000 3.536 0.000) 3.536 14.241 ( 0.000 -0.201 0.000) 0.201 14.670 ( 0.000 4.415 0.000) 4.415 14.743 ( 0.000 -1.491 0.000) 1.491 15.068 ( 0.000 -7.267 0.000) 7.267 15.261 ( 0.000 -1.448 0.000) 1.448 15.286 ( 0.000 -6.576 0.000) 6.576 15.416 ( 0.000 -1.960 0.000) 1.960 15.532 ( 0.000 0.556 0.000) 0.556 15.590 ( 0.000 -5.523 0.000) 5.523 15.899 ( 0.000 6.619 -0.000) 6.619 15.978 ( 0.000 5.961 0.000) 5.961 16.232 ( 0.000 -3.127 0.000) 3.127 16.349 ( 0.000 -2.807 0.000) 2.807 16.378 ( 0.000 1.867 0.000) 1.867 16.449 ( 0.000 0.854 0.000) 0.854 16.916 ( 0.000 -3.431 0.000) 3.431 16.968 ( 0.000 0.070 0.000) 0.070 17.183 ( 0.000 -4.027 0.000) 4.027 17.244 ( 0.000 2.706 0.000) 2.706 17.276 ( 0.000 1.905 0.000) 1.905 17.435 ( 0.000 2.473 0.000) 2.473 17.507 ( 0.000 -0.588 0.000) 0.588 17.828 ( 0.000 0.630 0.000) 0.630 18.209 ( 0.000 6.717 0.000) 6.717 18.312 ( -0.000 -0.026 0.000) 0.026 18.347 ( 0.000 0.019 0.000) 0.019 18.515 ( 0.000 -1.059 0.000) 1.059 18.603 ( 0.000 1.906 0.000) 1.906 18.920 ( 0.000 2.171 0.000) 2.171 19.058 ( 0.000 -2.089 0.000) 2.089 19.084 ( 0.000 -2.377 0.000) 2.377 20.868 ( 0.000 3.674 0.000) 3.674 20.908 ( 0.000 4.034 0.000) 4.034 21.029 ( 0.000 2.268 0.000) 2.268 21.282 ( 0.000 1.508 -0.000) 1.508 21.350 ( 0.000 0.465 0.000) 0.465 21.494 ( -0.000 0.348 0.000) 0.348 21.534 ( 0.000 -0.645 0.000) 0.645 21.577 ( 0.000 -1.269 0.000) 1.269 26.711 ( 0.000 0.693 0.000) 0.693 26.870 ( 0.000 0.969 0.000) 0.969 26.917 ( 0.000 -1.952 0.000) 1.952 26.964 ( 0.000 -0.028 0.000) 0.028 27.640 ( 0.000 0.408 0.000) 0.408 27.665 ( 0.000 0.646 0.000) 0.646 27.744 ( 0.000 0.381 0.000) 0.381 27.802 ( 0.000 -0.852 0.000) 0.852 35.570 ( 0.000 0.899 0.000) 0.899 35.909 ( -0.000 3.146 0.000) 3.146 36.006 ( 0.000 -3.137 0.000) 3.137 36.224 ( 0.000 2.256 0.000) 2.256 36.960 ( 0.000 -0.176 0.000) 0.176 37.095 ( 0.000 -0.821 0.000) 0.821 37.370 ( 0.000 2.362 0.000) 2.362 37.454 ( 0.000 -0.370 0.000) 0.370 37.482 ( -0.000 2.855 0.000) 2.855 37.977 ( 0.000 4.970 0.000) 4.970 38.044 ( 0.000 0.096 0.000) 0.096 38.352 ( 0.000 -4.262 0.000) 4.262 38.869 ( 0.000 -12.260 0.000) 12.260 39.450 ( 0.000 4.106 0.000) 4.106 39.617 ( 0.000 -11.851 0.000) 11.851 40.751 ( 0.000 -16.522 0.000) 16.522 ======================= Grid point 14 (9/100) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.000 25.528 0.000) 25.528 1.148 ( 0.000 28.329 0.000) 28.329 1.670 ( 0.000 35.273 0.000) 35.273 1.929 ( 0.000 8.673 0.000) 8.673 2.026 ( 0.000 8.033 0.000) 8.033 2.360 ( 0.000 -5.541 0.000) 5.541 2.516 ( 0.000 3.426 0.000) 3.426 2.570 ( 0.000 2.228 0.000) 2.228 2.691 ( 0.000 -4.041 0.000) 4.041 3.015 ( 0.000 -11.528 0.000) 11.528 3.118 ( 0.000 -10.001 0.000) 10.001 3.218 ( 0.000 -7.153 0.000) 7.153 3.380 ( 0.000 6.942 0.000) 6.942 3.832 ( 0.000 -0.739 0.000) 0.739 4.061 ( 0.000 -1.616 0.000) 1.616 4.175 ( 0.000 5.180 0.000) 5.180 4.288 ( 0.000 0.178 0.000) 0.178 4.386 ( 0.000 -2.827 0.000) 2.827 4.433 ( 0.000 -0.527 0.000) 0.527 4.802 ( 0.000 1.694 0.000) 1.694 4.823 ( 0.000 -1.536 0.000) 1.536 4.928 ( 0.000 3.661 0.000) 3.661 4.970 ( 0.000 4.472 0.000) 4.472 5.112 ( 0.000 2.143 0.000) 2.143 5.153 ( 0.000 8.533 0.000) 8.533 5.192 ( 0.000 -2.245 0.000) 2.245 5.373 ( 0.000 4.000 0.000) 4.000 5.439 ( 0.000 -6.446 0.000) 6.446 5.661 ( 0.000 -0.465 0.000) 0.465 5.854 ( 0.000 -11.016 0.000) 11.016 5.933 ( 0.000 1.817 0.000) 1.817 6.005 ( 0.000 -5.919 0.000) 5.919 6.301 ( 0.000 0.886 0.000) 0.886 6.519 ( 0.000 -4.553 0.000) 4.553 6.541 ( 0.000 3.078 0.000) 3.078 6.683 ( 0.000 -0.782 0.000) 0.782 6.691 ( 0.000 2.957 0.000) 2.957 6.759 ( 0.000 3.352 0.000) 3.352 6.971 ( 0.000 7.532 0.000) 7.532 7.062 ( 0.000 5.166 0.000) 5.166 7.195 ( 0.000 -2.824 0.000) 2.824 7.307 ( 0.000 6.647 0.000) 6.647 7.445 ( 0.000 10.259 0.000) 10.259 7.541 ( 0.000 11.527 0.000) 11.527 7.569 ( 0.000 -3.649 0.000) 3.649 7.724 ( 0.000 -7.141 0.000) 7.141 7.963 ( 0.000 1.661 0.000) 1.661 8.082 ( 0.000 -1.678 0.000) 1.678 8.107 ( 0.000 -8.564 0.000) 8.564 8.214 ( 0.000 -4.465 0.000) 4.465 8.391 ( 0.000 -3.638 0.000) 3.638 8.471 ( 0.000 -7.367 0.000) 7.367 8.538 ( 0.000 1.933 0.000) 1.933 8.619 ( 0.000 -3.305 0.000) 3.305 8.834 ( 0.000 -9.222 0.000) 9.222 8.881 ( 0.000 -2.844 0.000) 2.844 9.113 ( 0.000 9.245 0.000) 9.245 9.408 ( 0.000 1.685 0.000) 1.685 9.502 ( 0.000 -2.397 0.000) 2.397 9.522 ( 0.000 2.339 0.000) 2.339 9.658 ( 0.000 11.766 0.000) 11.766 9.827 ( 0.000 1.297 0.000) 1.297 9.910 ( 0.000 -4.935 0.000) 4.935 10.066 ( 0.000 -8.154 0.000) 8.154 10.244 ( 0.000 -9.492 0.000) 9.492 10.436 ( 0.000 -1.456 0.000) 1.456 10.728 ( 0.000 5.908 0.000) 5.908 11.001 ( 0.000 -0.703 0.000) 0.703 11.405 ( 0.000 -1.549 0.000) 1.549 11.422 ( 0.000 7.235 0.000) 7.235 11.631 ( 0.000 -2.677 0.000) 2.677 11.765 ( 0.000 0.948 0.000) 0.948 12.352 ( 0.000 -0.066 0.000) 0.066 12.522 ( 0.000 -4.738 0.000) 4.738 12.633 ( 0.000 -0.570 0.000) 0.570 12.697 ( 0.000 -3.786 0.000) 3.786 12.841 ( 0.000 -1.498 0.000) 1.498 12.856 ( 0.000 -3.087 0.000) 3.087 12.933 ( 0.000 0.565 0.000) 0.565 13.046 ( 0.000 -0.375 0.000) 0.375 14.072 ( 0.000 2.562 0.000) 2.562 14.306 ( 0.000 3.909 0.000) 3.909 14.472 ( 0.000 6.791 0.000) 6.791 14.632 ( 0.000 6.001 0.000) 6.001 14.984 ( 0.000 -4.059 0.000) 4.059 15.210 ( 0.000 0.861 0.000) 0.861 15.285 ( 0.000 -5.558 0.000) 5.558 15.306 ( 0.000 -1.747 0.000) 1.747 15.559 ( 0.000 -0.668 0.000) 0.668 15.736 ( 0.000 -3.707 0.000) 3.707 15.995 ( 0.000 -3.121 0.000) 3.121 16.106 ( 0.000 -0.658 0.000) 0.658 16.200 ( 0.000 4.409 0.000) 4.409 16.420 ( 0.000 -2.003 0.000) 2.003 16.488 ( 0.000 0.839 0.000) 0.839 16.529 ( 0.000 0.343 0.000) 0.343 16.894 ( 0.000 -0.465 0.000) 0.465 17.032 ( 0.000 -4.731 0.000) 4.731 17.116 ( 0.000 1.697 0.000) 1.697 17.118 ( 0.000 2.749 0.000) 2.749 17.426 ( 0.000 -0.708 0.000) 0.708 17.507 ( 0.000 -0.442 0.000) 0.442 17.597 ( 0.000 4.788 0.000) 4.788 17.680 ( 0.000 3.302 0.000) 3.302 18.111 ( 0.000 3.085 0.000) 3.085 18.175 ( 0.000 -0.005 0.000) 0.005 18.285 ( 0.000 -3.317 0.000) 3.317 18.381 ( 0.000 -2.988 0.000) 2.988 18.762 ( 0.000 0.888 0.000) 0.888 18.887 ( 0.000 1.827 0.000) 1.827 19.016 ( 0.000 2.746 0.000) 2.746 19.114 ( 0.000 -2.381 0.000) 2.381 20.925 ( 0.000 4.114 0.000) 4.114 21.013 ( 0.000 5.674 0.000) 5.674 21.155 ( 0.000 1.022 0.000) 1.022 21.353 ( 0.000 0.094 0.000) 0.094 21.403 ( 0.000 -2.459 0.000) 2.459 21.463 ( 0.000 -3.493 0.000) 3.493 21.590 ( 0.000 0.853 0.000) 0.853 21.809 ( 0.000 -3.652 0.000) 3.652 26.772 ( 0.000 1.414 0.000) 1.414 26.869 ( 0.000 -0.698 0.000) 0.698 26.871 ( 0.000 0.679 0.000) 0.679 26.950 ( 0.000 -1.012 0.000) 1.012 27.663 ( 0.000 0.160 0.000) 0.160 27.672 ( 0.000 -0.057 0.000) 0.057 27.721 ( 0.000 0.022 0.000) 0.022 27.737 ( 0.000 -0.137 0.000) 0.137 35.612 ( 0.000 1.857 0.000) 1.857 35.837 ( 0.000 -2.280 0.000) 2.280 35.916 ( 0.000 3.075 0.000) 3.075 36.089 ( 0.000 -0.351 0.000) 0.351 36.821 ( 0.000 1.537 0.000) 1.537 37.021 ( 0.000 -2.609 0.000) 2.609 37.415 ( 0.000 3.852 0.000) 3.852 37.702 ( 0.000 -3.725 0.000) 3.725 37.709 ( 0.000 -0.436 0.000) 0.436 37.817 ( 0.000 -0.492 0.000) 0.492 37.856 ( 0.000 3.476 0.000) 3.476 37.954 ( 0.000 -1.867 0.000) 1.867 38.199 ( 0.000 6.454 0.000) 6.454 39.362 ( 0.000 -15.518 0.000) 15.518 40.005 ( 0.000 -3.821 0.000) 3.821 40.028 ( 0.000 -3.646 0.000) 3.646 ======================= Grid point 15 (10/100) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 4.596 21.702 6.306) 23.063 1.298 ( 12.444 21.282 5.522) 25.264 1.873 ( 3.416 13.581 1.937) 14.138 1.914 ( 2.807 9.745 0.239) 10.144 2.127 ( 12.280 14.819 5.263) 19.953 2.350 ( 0.456 -2.828 0.289) 2.879 2.520 ( -3.740 0.733 5.247) 6.485 2.572 ( 1.239 3.519 0.203) 3.737 2.673 ( 0.152 -1.783 -3.358) 3.805 3.007 ( -1.314 -7.706 -0.924) 7.871 3.115 ( -1.680 -8.879 -0.303) 9.042 3.208 ( 2.158 -5.536 -1.479) 6.123 3.467 ( 5.878 5.671 1.648) 8.332 3.804 ( -7.115 0.236 -0.208) 7.122 3.890 ( -3.102 -1.407 4.399) 5.564 4.112 ( -3.403 -3.733 -4.489) 6.758 4.347 ( -5.348 -1.964 -0.437) 5.714 4.414 ( 1.695 3.202 4.763) 5.984 4.535 ( 3.174 2.085 -0.424) 3.821 4.796 ( -11.112 4.667 -1.168) 12.109 4.857 ( 4.775 0.932 6.596) 8.196 4.909 ( -2.936 3.865 11.338) 12.333 5.052 ( 4.760 4.718 -3.213) 7.433 5.076 ( 4.652 2.079 6.133) 7.973 5.138 ( 1.949 5.287 -0.811) 5.693 5.234 ( 4.059 3.903 -2.839) 6.306 5.383 ( 8.662 -2.182 -1.082) 8.998 5.608 ( -1.174 -8.583 0.100) 8.664 5.654 ( 6.139 -5.872 5.390) 10.061 5.859 ( 4.345 4.048 -0.555) 5.964 5.954 ( -2.093 -6.290 -1.271) 6.750 6.118 ( 9.275 -3.414 -0.591) 9.901 6.336 ( 7.995 0.996 -6.271) 10.209 6.447 ( 3.388 -3.439 0.466) 4.850 6.586 ( -6.242 6.319 0.041) 8.882 6.608 ( -1.904 2.570 -6.906) 7.611 6.670 ( -0.468 -2.605 -3.190) 4.145 6.774 ( 1.366 5.387 0.373) 5.570 6.913 ( 1.639 1.891 -1.151) 2.755 7.103 ( -3.056 4.254 3.325) 6.204 7.201 ( 0.660 -3.415 -1.152) 3.665 7.282 ( -3.284 9.276 3.951) 10.603 7.490 ( 4.404 4.386 1.474) 6.387 7.572 ( 0.672 -4.314 0.210) 4.372 7.652 ( 5.868 9.766 -6.098) 12.923 7.747 ( 5.051 -3.028 3.352) 6.776 7.891 ( -4.260 -4.198 -1.417) 6.146 8.015 ( -5.443 -6.606 1.499) 8.690 8.163 ( 4.635 -1.612 0.325) 4.918 8.248 ( -1.855 -1.797 -0.597) 2.651 8.373 ( 0.276 -3.956 -0.547) 4.004 8.402 ( 0.311 -1.932 -5.359) 5.705 8.544 ( 0.154 1.533 0.304) 1.570 8.702 ( 4.177 -5.420 4.847) 8.386 8.815 ( -3.643 1.080 -3.308) 5.038 8.823 ( -2.621 -3.622 0.712) 4.528 9.140 ( 1.094 3.246 2.375) 4.168 9.279 ( -14.070 9.505 -0.481) 16.986 9.397 ( -6.600 -0.564 -1.838) 6.874 9.484 ( 0.052 -0.469 -4.193) 4.219 9.674 ( -1.119 0.716 0.122) 1.334 9.739 ( -4.527 0.992 -4.846) 6.705 9.843 ( -5.844 -3.267 -3.415) 7.515 10.018 ( -5.736 -5.892 2.320) 8.544 10.186 ( -4.722 -5.226 -1.552) 7.212 10.360 ( -6.219 -3.153 -1.461) 7.124 10.752 ( 3.788 5.709 -1.489) 7.011 10.996 ( -0.915 3.273 2.377) 4.147 11.385 ( -0.380 -0.541 -0.820) 1.053 11.458 ( 3.227 3.103 -3.753) 5.842 11.628 ( -0.253 -2.675 0.322) 2.706 11.676 ( -2.540 1.624 -7.522) 8.104 12.372 ( 2.694 0.129 -1.065) 2.899 12.493 ( -0.723 -3.588 -2.795) 4.605 12.633 ( -0.696 1.487 0.624) 1.756 12.664 ( -3.185 -1.379 -0.333) 3.487 12.758 ( 2.177 -4.399 -3.412) 5.978 12.909 ( 1.508 -1.653 6.097) 6.494 13.069 ( 3.009 -0.522 5.649) 6.422 13.129 ( 3.491 -3.973 5.889) 7.915 14.153 ( 4.805 2.685 2.461) 6.029 14.322 ( -3.940 4.796 -0.845) 6.264 14.390 ( 2.789 6.406 1.178) 7.085 14.833 ( 9.654 -1.951 4.057) 10.652 14.946 ( -3.088 -2.764 0.004) 4.144 15.206 ( -4.823 -3.847 6.280) 8.804 15.244 ( 1.301 -4.436 -7.260) 8.607 15.351 ( -1.769 -3.564 8.292) 9.197 15.540 ( -0.409 -1.334 -2.398) 2.774 15.693 ( -2.404 -4.412 -4.167) 6.527 15.982 ( -2.496 1.240 3.916) 4.807 16.094 ( 0.636 0.871 -1.215) 1.625 16.218 ( 1.346 2.573 -2.472) 3.814 16.398 ( -3.408 -1.366 3.065) 4.782 16.449 ( -1.919 1.216 -2.464) 3.352 16.513 ( 0.019 0.195 -3.036) 3.042 16.870 ( -1.784 -0.946 -0.742) 2.152 16.985 ( 0.033 -2.584 -4.373) 5.080 17.123 ( 1.133 1.233 2.181) 2.750 17.219 ( 3.317 1.890 1.747) 4.198 17.399 ( -2.421 -1.033 3.388) 4.290 17.438 ( -5.487 0.124 -0.274) 5.495 17.631 ( -1.059 3.491 -2.100) 4.210 17.705 ( 4.664 1.236 2.714) 5.536 18.139 ( 2.010 1.677 0.980) 2.795 18.200 ( 5.029 1.898 -2.193) 5.805 18.328 ( 3.444 -1.959 -1.186) 4.136 18.430 ( 4.016 -1.821 0.434) 4.431 18.730 ( -2.891 2.120 0.515) 3.622 18.923 ( 3.134 -0.040 -0.395) 3.159 19.004 ( -1.206 2.385 0.386) 2.700 19.092 ( -2.925 -2.300 1.569) 4.038 20.931 ( 0.338 4.230 0.597) 4.285 21.009 ( -0.239 5.689 -0.096) 5.694 21.145 ( -1.155 1.126 -0.193) 1.625 21.351 ( -0.567 0.018 0.558) 0.795 21.414 ( 1.246 -2.040 -0.479) 2.438 21.447 ( -0.802 -1.774 -2.482) 3.154 21.574 ( -1.798 0.341 0.222) 1.843 21.672 ( -7.702 1.848 -3.191) 8.539 26.763 ( -0.956 1.370 -0.013) 1.670 26.861 ( 0.092 -0.662 -0.020) 0.668 26.884 ( 0.214 0.496 0.721) 0.901 26.952 ( 0.055 -0.819 0.212) 0.848 27.656 ( -0.194 0.260 -0.394) 0.511 27.679 ( 0.365 0.260 0.090) 0.458 27.728 ( 0.724 -0.052 -0.267) 0.773 27.747 ( 1.038 -0.410 0.101) 1.120 35.609 ( -0.647 1.981 0.739) 2.212 35.884 ( 1.413 -1.848 4.189) 4.792 35.924 ( -0.703 1.766 2.836) 3.414 36.136 ( 2.246 -0.197 3.965) 4.561 36.884 ( 0.885 -0.037 6.758) 6.816 37.034 ( 0.794 -2.259 0.930) 2.569 37.423 ( 1.406 4.023 -1.040) 4.386 37.606 ( -5.258 0.173 -1.688) 5.525 37.701 ( -3.569 1.168 -3.543) 5.163 37.890 ( 10.574 -3.001 -1.086) 11.045 37.969 ( 3.633 0.914 1.889) 4.196 38.115 ( 16.462 -8.653 -1.647) 18.671 38.198 ( 1.295 5.011 1.308) 5.338 39.325 ( -3.230 -13.698 0.539) 14.085 39.924 ( -6.076 -3.007 -6.026) 9.070 40.139 ( 12.502 -12.435 -4.817) 18.279 ======================= Grid point 16 (11/100) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 10.626 9.790 6.415) 15.808 1.614 ( 13.466 10.544 5.032) 17.828 1.892 ( 0.588 6.320 1.554) 6.534 1.903 ( -3.724 2.430 1.974) 4.865 2.292 ( 1.157 1.044 -2.059) 2.582 2.419 ( -4.833 3.781 0.394) 6.149 2.496 ( -1.577 -0.303 -0.140) 1.612 2.653 ( 5.815 5.277 5.162) 9.397 2.691 ( 6.012 1.824 1.486) 6.456 2.945 ( -1.563 -1.955 -4.851) 5.459 3.099 ( 1.624 -2.089 1.806) 3.203 3.260 ( 1.889 -3.323 2.673) 4.664 3.536 ( 1.524 3.012 -1.630) 3.748 3.728 ( -1.927 1.098 6.499) 6.868 3.973 ( 4.543 -1.659 4.640) 6.702 4.079 ( 0.280 -5.179 -4.482) 6.855 4.174 ( -6.874 0.860 -4.798) 8.427 4.382 ( -6.159 6.592 -1.414) 9.132 4.461 ( -5.854 9.383 -1.433) 11.152 4.545 ( -11.316 3.624 1.530) 11.980 4.930 ( 1.377 1.846 4.128) 4.727 5.075 ( 4.072 6.637 2.124) 8.071 5.132 ( 5.859 3.135 7.619) 10.110 5.201 ( -1.396 1.207 5.535) 5.835 5.300 ( 10.506 1.489 4.533) 11.539 5.392 ( 10.596 3.484 1.885) 11.312 5.497 ( -2.420 -2.898 0.062) 3.776 5.569 ( 5.790 -3.588 0.146) 6.813 5.814 ( -1.486 -6.974 1.717) 7.334 5.845 ( 1.929 -4.899 -3.714) 6.443 5.964 ( 3.078 3.786 0.988) 4.978 6.193 ( 0.023 -1.549 -5.588) 5.799 6.376 ( -1.333 1.013 -2.327) 2.867 6.498 ( 4.437 3.007 -3.694) 6.510 6.541 ( -1.057 -3.123 -1.651) 3.688 6.650 ( 6.188 1.922 -1.343) 6.617 6.672 ( 11.178 3.200 -5.582) 12.898 6.795 ( -0.020 -1.083 1.988) 2.264 6.914 ( -0.668 -2.873 -1.817) 3.464 7.042 ( -3.582 -0.372 1.816) 4.033 7.271 ( 6.260 -0.176 2.128) 6.614 7.285 ( -6.747 3.574 1.768) 7.837 7.421 ( -0.000 3.677 -0.097) 3.679 7.610 ( 3.430 -3.234 2.060) 5.145 7.750 ( -4.543 2.255 -0.115) 5.074 7.827 ( 10.349 6.654 -4.568) 13.124 7.911 ( 0.034 -3.914 6.346) 7.456 7.953 ( 1.652 -5.844 -0.064) 6.074 8.094 ( -6.755 -3.694 -0.384) 7.709 8.245 ( 0.878 -4.586 2.872) 5.482 8.366 ( -0.260 1.557 -2.263) 2.760 8.502 ( -2.049 1.030 1.518) 2.750 8.560 ( 9.987 6.385 -4.845) 12.806 8.672 ( -3.904 6.614 -0.516) 7.697 8.752 ( -4.525 -6.124 -4.450) 8.819 8.842 ( 6.307 -1.636 2.900) 7.132 9.017 ( -11.806 0.274 -0.872) 11.842 9.160 ( -3.291 3.236 3.502) 5.794 9.280 ( -1.883 2.524 -3.210) 4.497 9.411 ( -2.597 0.330 -4.530) 5.232 9.508 ( -14.276 -0.647 -0.205) 14.292 9.647 ( -4.802 -4.378 -4.447) 7.874 9.702 ( 0.564 -3.447 -3.128) 4.689 9.943 ( -3.915 -3.791 1.842) 5.753 10.093 ( -3.798 -3.097 -0.339) 4.912 10.232 ( -5.221 -4.935 -0.782) 7.227 10.824 ( 3.730 5.063 -0.176) 6.291 11.004 ( -0.546 5.221 1.728) 5.527 11.368 ( 0.093 -2.721 -2.220) 3.513 11.454 ( 0.755 1.757 -3.651) 4.122 11.585 ( -1.453 0.786 -2.764) 3.220 11.636 ( 0.605 -1.281 -0.225) 1.434 12.419 ( 3.299 -0.188 -1.881) 3.802 12.460 ( -0.702 -2.296 -0.960) 2.585 12.612 ( -0.364 3.686 -1.448) 3.977 12.627 ( -2.008 -1.112 1.734) 2.877 12.791 ( 2.403 -5.675 -0.630) 6.195 12.989 ( 0.801 -4.117 4.281) 5.994 13.168 ( 1.782 -1.973 2.130) 3.407 13.253 ( 4.718 -1.847 6.526) 8.262 14.218 ( -0.939 7.353 -1.267) 7.520 14.256 ( -0.220 2.128 2.680) 3.429 14.528 ( 8.892 1.650 0.790) 9.078 14.864 ( -5.434 -1.674 0.680) 5.726 14.965 ( 0.333 -4.207 0.549) 4.256 15.154 ( -2.404 -5.985 1.490) 6.619 15.214 ( -0.417 -4.639 -1.141) 4.795 15.369 ( -2.527 -6.249 3.570) 7.627 15.507 ( -0.423 -2.067 -2.741) 3.459 15.593 ( -3.460 -1.729 -3.057) 4.930 15.994 ( -1.189 4.451 4.962) 6.771 16.101 ( 1.568 2.845 -2.606) 4.165 16.201 ( 0.282 0.930 -2.556) 2.734 16.347 ( -4.842 -0.419 2.696) 5.558 16.411 ( -1.026 1.400 1.105) 2.058 16.484 ( 0.992 0.514 -4.719) 4.849 16.844 ( 0.421 -2.254 -0.929) 2.474 16.948 ( -1.004 -3.350 -2.420) 4.253 17.146 ( 0.064 -0.051 0.322) 0.332 17.279 ( 1.465 2.504 2.819) 4.045 17.334 ( -4.209 0.776 -0.467) 4.305 17.428 ( 1.424 0.120 3.048) 3.367 17.575 ( -2.126 3.101 -2.665) 4.608 17.802 ( 2.090 -0.899 2.075) 3.079 18.225 ( 5.780 0.934 0.650) 5.891 18.286 ( 5.113 4.160 -1.405) 6.740 18.363 ( 2.269 -0.561 -2.751) 3.610 18.493 ( 1.054 -0.242 1.386) 1.758 18.680 ( -2.978 3.005 0.949) 4.336 18.959 ( 2.844 0.006 -4.559) 5.374 18.997 ( -1.861 -0.941 3.901) 4.424 19.053 ( -2.274 -1.587 2.030) 3.436 20.948 ( 0.542 4.623 0.916) 4.744 21.004 ( -0.174 5.618 -0.047) 5.620 21.106 ( -1.926 1.875 -1.136) 2.919 21.340 ( -1.557 0.952 0.967) 2.065 21.375 ( -0.787 1.538 -3.846) 4.216 21.456 ( 2.219 -1.318 0.425) 2.615 21.546 ( -1.147 -1.441 0.741) 1.986 21.567 ( -2.777 0.698 -0.884) 2.997 26.742 ( -1.039 1.351 -0.021) 1.705 26.869 ( 0.552 -1.538 0.036) 1.634 26.892 ( -0.084 0.897 0.575) 1.069 26.956 ( 0.110 -0.577 0.197) 0.619 27.652 ( 0.034 0.619 -0.145) 0.636 27.682 ( 0.075 0.742 -0.240) 0.784 27.742 ( 0.799 -0.056 -0.076) 0.805 27.769 ( 0.991 -0.997 0.117) 1.411 35.604 ( -0.620 2.201 0.702) 2.392 35.927 ( -0.953 -4.461 3.030) 5.476 35.959 ( 1.828 4.914 2.198) 5.685 36.220 ( 2.094 0.584 3.684) 4.278 36.943 ( -0.109 0.212 4.117) 4.124 37.060 ( 0.743 -1.645 0.938) 2.034 37.437 ( 0.881 3.971 -1.700) 4.409 37.495 ( -3.514 0.652 -2.509) 4.367 37.598 ( -3.325 2.994 -1.960) 4.885 38.015 ( 5.649 0.870 -4.947) 7.559 38.123 ( 9.761 -4.658 1.052) 10.867 38.147 ( -4.951 6.964 5.680) 10.260 38.465 ( 13.657 -13.552 1.370) 19.289 39.287 ( -2.451 -14.163 3.994) 14.918 39.696 ( -7.692 -1.649 -11.945) 14.303 40.305 ( 8.288 -19.612 -3.620) 21.597 ======================= Grid point 17 (12/100) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.000 2.351 0.000) 2.351 1.816 ( 0.000 5.309 0.000) 5.309 1.864 ( -0.000 0.609 0.000) 0.609 1.901 ( -0.000 8.235 0.000) 8.235 2.273 ( 0.000 5.300 0.000) 5.300 2.385 ( 0.000 2.296 0.000) 2.296 2.397 ( 0.000 -4.905 -0.000) 4.905 2.715 ( 0.000 -0.297 -0.000) 0.297 2.841 ( -0.000 0.966 -0.000) 0.966 2.852 ( 0.000 0.441 0.000) 0.441 3.193 ( 0.000 1.544 0.000) 1.544 3.279 ( 0.000 -1.848 0.000) 1.848 3.555 ( -0.000 -1.932 0.000) 1.932 3.841 ( 0.000 4.956 0.000) 4.956 3.863 ( -0.000 6.962 -0.000) 6.962 4.063 ( 0.000 -9.168 0.000) 9.168 4.195 ( -0.000 -2.133 0.000) 2.133 4.231 ( 0.000 12.800 0.000) 12.800 4.397 ( 0.000 8.191 0.000) 8.191 4.447 ( 0.000 8.088 0.000) 8.088 4.999 ( 0.000 5.759 0.000) 5.759 5.131 ( 0.000 -1.392 -0.000) 1.392 5.219 ( 0.000 2.138 0.000) 2.138 5.268 ( 0.000 -0.620 -0.000) 0.620 5.334 ( 0.000 -0.470 0.000) 0.470 5.443 ( 0.000 -5.853 0.000) 5.853 5.554 ( 0.000 7.555 0.000) 7.555 5.711 ( 0.000 -5.535 0.000) 5.535 5.772 ( 0.000 5.687 -0.000) 5.687 5.800 ( -0.000 -6.407 0.000) 6.407 6.038 ( 0.000 4.648 0.000) 4.648 6.221 ( 0.000 -5.555 0.000) 5.555 6.264 ( 0.000 3.255 0.000) 3.255 6.458 ( 0.000 -3.257 0.000) 3.257 6.564 ( 0.000 1.496 0.000) 1.496 6.682 ( -0.000 2.942 0.000) 2.942 6.796 ( 0.000 11.856 0.000) 11.856 6.858 ( -0.000 -12.062 -0.000) 12.062 6.893 ( 0.000 -3.426 0.000) 3.426 6.935 ( 0.000 0.273 0.000) 0.273 7.185 ( 0.000 0.676 0.000) 0.676 7.385 ( 0.000 -0.191 0.000) 0.191 7.507 ( 0.000 -3.148 0.000) 3.148 7.676 ( 0.000 0.535 0.000) 0.535 7.757 ( 0.000 2.073 0.000) 2.073 7.837 ( 0.000 8.764 0.000) 8.764 7.860 ( -0.000 -6.249 0.000) 6.249 8.040 ( 0.000 -4.284 0.000) 4.284 8.109 ( 0.000 -5.293 0.000) 5.293 8.259 ( 0.000 -1.927 0.000) 1.927 8.298 ( 0.000 -2.575 0.000) 2.575 8.446 ( -0.000 7.811 0.000) 7.811 8.535 ( 0.000 5.306 0.000) 5.306 8.677 ( 0.000 4.375 0.000) 4.375 8.815 ( -0.000 -9.704 0.000) 9.704 8.825 ( 0.000 7.190 -0.000) 7.190 8.982 ( 0.000 2.030 0.000) 2.030 9.136 ( 0.000 0.588 0.000) 0.588 9.158 ( -0.000 1.289 0.000) 1.289 9.353 ( 0.000 2.357 0.000) 2.357 9.398 ( 0.000 -2.020 0.000) 2.020 9.553 ( 0.000 -4.555 0.000) 4.555 9.709 ( 0.000 -4.416 0.000) 4.416 9.909 ( 0.000 -3.438 0.000) 3.438 10.053 ( 0.000 -5.973 0.000) 5.973 10.177 ( 0.000 -4.007 0.000) 4.007 10.861 ( 0.000 4.960 0.000) 4.960 11.008 ( 0.000 5.292 0.000) 5.292 11.356 ( 0.000 -3.692 0.000) 3.692 11.440 ( 0.000 1.532 0.000) 1.532 11.559 ( 0.000 0.886 0.000) 0.886 11.641 ( 0.000 -0.675 0.000) 0.675 12.439 ( 0.000 -2.916 0.000) 2.916 12.453 ( 0.000 1.014 0.000) 1.014 12.605 ( 0.000 4.391 -0.000) 4.391 12.612 ( -0.000 -1.267 0.000) 1.267 12.813 ( 0.000 -5.880 0.000) 5.880 13.017 ( 0.000 -4.416 0.000) 4.416 13.191 ( 0.000 -2.018 0.000) 2.018 13.349 ( 0.000 -2.596 0.000) 2.596 14.194 ( 0.000 5.501 0.000) 5.501 14.276 ( 0.000 3.843 0.000) 3.843 14.704 ( 0.000 -2.344 0.000) 2.344 14.727 ( -0.000 0.300 0.000) 0.300 14.950 ( 0.000 -3.616 0.000) 3.616 15.154 ( 0.000 -5.937 0.000) 5.937 15.203 ( 0.000 -4.322 0.000) 4.322 15.351 ( 0.000 -5.373 0.000) 5.373 15.484 ( 0.000 -4.068 0.000) 4.068 15.544 ( 0.000 0.356 0.000) 0.356 16.011 ( 0.000 4.282 -0.000) 4.282 16.102 ( -0.000 5.150 0.000) 5.150 16.191 ( 0.000 0.166 0.000) 0.166 16.307 ( 0.000 -0.709 0.000) 0.709 16.413 ( 0.000 1.610 -0.000) 1.610 16.467 ( 0.000 0.789 0.000) 0.789 16.855 ( 0.000 -2.575 0.000) 2.575 16.915 ( 0.000 -4.935 0.000) 4.935 17.148 ( 0.000 0.374 0.000) 0.374 17.288 ( 0.000 0.119 0.000) 0.119 17.312 ( 0.000 3.139 0.000) 3.139 17.493 ( 0.000 -0.803 0.000) 0.803 17.507 ( 0.000 4.649 -0.000) 4.649 17.828 ( 0.000 -0.881 0.000) 0.881 18.297 ( 0.000 0.482 0.000) 0.482 18.345 ( 0.000 -0.330 -0.000) 0.330 18.361 ( 0.000 5.969 0.000) 5.969 18.501 ( 0.000 -0.259 0.000) 0.259 18.653 ( 0.000 3.125 0.000) 3.125 18.965 ( -0.000 2.164 0.000) 2.164 18.987 ( 0.000 -4.598 -0.000) 4.598 19.051 ( 0.000 -1.095 0.000) 1.095 20.960 ( 0.000 5.099 0.000) 5.099 21.003 ( 0.000 5.484 0.000) 5.484 21.076 ( 0.000 2.159 0.000) 2.159 21.323 ( 0.000 2.504 -0.000) 2.504 21.356 ( 0.000 -0.065 0.000) 0.065 21.503 ( -0.000 0.443 -0.000) 0.443 21.513 ( 0.000 -1.649 0.000) 1.649 21.544 ( 0.000 -1.792 0.000) 1.792 26.731 ( 0.000 1.336 0.000) 1.336 26.875 ( 0.000 -2.141 0.000) 2.141 26.893 ( 0.000 1.241 0.000) 1.241 26.958 ( 0.000 -0.493 0.000) 0.493 27.652 ( 0.000 0.838 0.000) 0.838 27.681 ( 0.000 0.900 0.000) 0.900 27.750 ( 0.000 0.085 0.000) 0.085 27.780 ( 0.000 -1.350 0.000) 1.350 35.601 ( 0.000 2.299 0.000) 2.299 35.931 ( 0.000 -4.317 0.000) 4.317 35.992 ( -0.000 5.115 0.000) 5.115 36.261 ( 0.000 1.159 0.000) 1.159 36.962 ( 0.000 0.494 0.000) 0.494 37.073 ( 0.000 -1.389 0.000) 1.389 37.426 ( 0.000 2.866 0.000) 2.866 37.449 ( 0.000 0.057 0.000) 0.057 37.561 ( 0.000 5.307 0.000) 5.307 38.052 ( 0.000 0.859 0.000) 0.859 38.113 ( 0.000 8.620 0.000) 8.620 38.236 ( 0.000 -7.256 0.000) 7.256 38.614 ( 0.000 -12.600 0.000) 12.600 39.309 ( 0.000 -18.396 0.000) 18.396 39.514 ( 0.000 2.614 0.000) 2.614 40.365 ( 0.000 -21.005 0.000) 21.005 ======================= Grid point 21 (13/100) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 0.000 21.711 0.000) 21.711 1.683 ( 0.000 26.100 0.000) 26.100 2.048 ( 0.000 0.838 0.000) 0.838 2.174 ( 0.000 6.197 0.000) 6.197 2.225 ( 0.000 20.000 0.000) 20.000 2.238 ( 0.000 -4.487 0.000) 4.487 2.537 ( 0.000 -13.325 0.000) 13.325 2.547 ( 0.000 -0.618 0.000) 0.618 2.632 ( 0.000 4.274 0.000) 4.274 2.816 ( 0.000 -6.993 0.000) 6.993 2.954 ( 0.000 -5.549 0.000) 5.549 3.058 ( 0.000 -8.516 0.000) 8.516 3.549 ( 0.000 9.801 0.000) 9.801 3.839 ( 0.000 0.148 0.000) 0.148 4.037 ( 0.000 -0.966 0.000) 0.966 4.122 ( 0.000 -9.637 0.000) 9.637 4.271 ( 0.000 5.207 0.000) 5.207 4.445 ( 0.000 0.365 0.000) 0.365 4.477 ( 0.000 4.690 0.000) 4.690 4.681 ( 0.000 -8.355 0.000) 8.355 4.769 ( 0.000 -0.502 0.000) 0.502 4.914 ( 0.000 -6.718 0.000) 6.718 5.129 ( 0.000 10.151 0.000) 10.151 5.143 ( 0.000 4.203 0.000) 4.203 5.314 ( 0.000 -3.034 0.000) 3.034 5.324 ( 0.000 10.934 0.000) 10.934 5.416 ( 0.000 12.829 0.000) 12.829 5.427 ( 0.000 0.675 0.000) 0.675 5.655 ( 0.000 -8.179 0.000) 8.179 5.661 ( 0.000 -0.465 0.000) 0.465 5.867 ( 0.000 -7.441 0.000) 7.441 5.876 ( 0.000 -8.504 0.000) 8.504 6.321 ( 0.000 1.504 0.000) 1.504 6.426 ( 0.000 -4.226 0.000) 4.226 6.561 ( 0.000 -0.391 0.000) 0.391 6.643 ( 0.000 -3.691 0.000) 3.691 6.814 ( 0.000 8.650 0.000) 8.650 6.875 ( 0.000 7.417 0.000) 7.417 7.094 ( 0.000 1.537 0.000) 1.537 7.106 ( 0.000 5.844 0.000) 5.844 7.265 ( 0.000 7.851 0.000) 7.851 7.400 ( 0.000 2.170 0.000) 2.170 7.430 ( 0.000 -6.898 0.000) 6.898 7.549 ( 0.000 -8.727 0.000) 8.727 7.720 ( 0.000 12.541 0.000) 12.541 7.759 ( 0.000 7.802 0.000) 7.802 7.921 ( 0.000 -8.349 0.000) 8.349 7.937 ( 0.000 -4.287 0.000) 4.287 8.081 ( 0.000 1.746 0.000) 1.746 8.131 ( 0.000 -4.664 0.000) 4.664 8.307 ( 0.000 -5.583 0.000) 5.583 8.308 ( 0.000 -9.054 0.000) 9.054 8.563 ( 0.000 1.711 0.000) 1.711 8.581 ( 0.000 2.805 0.000) 2.805 8.747 ( 0.000 -1.550 0.000) 1.550 8.847 ( 0.000 -2.208 0.000) 2.208 9.285 ( 0.000 6.949 0.000) 6.949 9.379 ( 0.000 -2.771 0.000) 2.771 9.472 ( 0.000 0.705 0.000) 0.705 9.563 ( 0.000 2.695 0.000) 2.695 9.779 ( 0.000 -8.350 0.000) 8.350 9.796 ( 0.000 -5.737 0.000) 5.737 9.936 ( 0.000 14.338 0.000) 14.338 9.959 ( 0.000 -0.853 0.000) 0.853 10.082 ( 0.000 -6.298 0.000) 6.298 10.363 ( 0.000 -6.228 0.000) 6.228 10.832 ( 0.000 4.669 0.000) 4.669 10.970 ( 0.000 -2.348 0.000) 2.348 11.403 ( 0.000 1.462 0.000) 1.462 11.527 ( 0.000 -0.575 0.000) 0.575 11.594 ( 0.000 2.801 0.000) 2.801 11.753 ( 0.000 -2.122 0.000) 2.122 12.373 ( 0.000 2.034 0.000) 2.034 12.452 ( 0.000 -2.242 0.000) 2.242 12.606 ( 0.000 -2.107 0.000) 2.107 12.616 ( 0.000 -3.847 0.000) 3.847 12.815 ( 0.000 -0.914 0.000) 0.914 12.822 ( 0.000 -0.581 0.000) 0.581 12.956 ( 0.000 1.604 0.000) 1.604 13.026 ( 0.000 -1.514 0.000) 1.514 14.145 ( 0.000 4.680 0.000) 4.680 14.320 ( 0.000 -2.167 0.000) 2.167 14.597 ( 0.000 6.021 0.000) 6.021 14.794 ( 0.000 7.014 0.000) 7.014 14.873 ( 0.000 -3.566 0.000) 3.566 15.172 ( 0.000 -4.827 0.000) 4.827 15.237 ( 0.000 -0.153 0.000) 0.153 15.278 ( 0.000 -1.363 0.000) 1.363 15.545 ( 0.000 -0.357 0.000) 0.357 15.641 ( 0.000 -4.993 0.000) 4.993 15.981 ( 0.000 1.788 0.000) 1.788 16.092 ( 0.000 -1.485 0.000) 1.485 16.288 ( 0.000 4.033 0.000) 4.033 16.383 ( 0.000 -1.718 0.000) 1.718 16.505 ( 0.000 0.737 0.000) 0.737 16.526 ( 0.000 -0.467 0.000) 0.467 16.889 ( 0.000 0.026 0.000) 0.026 16.946 ( 0.000 -3.533 0.000) 3.533 17.141 ( 0.000 1.125 0.000) 1.125 17.160 ( 0.000 1.111 0.000) 1.111 17.426 ( 0.000 0.692 0.000) 0.692 17.487 ( 0.000 -1.624 0.000) 1.624 17.691 ( 0.000 4.124 0.000) 4.124 17.731 ( 0.000 1.715 0.000) 1.715 18.157 ( 0.000 1.804 0.000) 1.804 18.194 ( 0.000 1.889 0.000) 1.889 18.233 ( 0.000 -2.055 0.000) 2.055 18.311 ( 0.000 -3.907 0.000) 3.907 18.795 ( 0.000 2.423 0.000) 2.423 18.896 ( 0.000 -1.157 0.000) 1.157 19.058 ( 0.000 1.444 0.000) 1.444 19.080 ( 0.000 -0.853 0.000) 0.853 21.015 ( 0.000 4.956 0.000) 4.956 21.136 ( 0.000 6.673 0.000) 6.673 21.161 ( 0.000 -0.931 0.000) 0.931 21.352 ( 0.000 -0.207 0.000) 0.207 21.354 ( 0.000 -2.464 0.000) 2.464 21.383 ( 0.000 -4.277 0.000) 4.277 21.614 ( 0.000 1.721 0.000) 1.721 21.732 ( 0.000 -3.990 0.000) 3.990 26.801 ( 0.000 1.518 0.000) 1.518 26.852 ( 0.000 -1.007 0.000) 1.007 26.886 ( 0.000 0.920 0.000) 0.920 26.928 ( 0.000 -1.157 0.000) 1.157 27.666 ( 0.000 0.157 0.000) 0.157 27.670 ( 0.000 -0.069 0.000) 0.069 27.723 ( 0.000 0.155 0.000) 0.155 27.733 ( 0.000 -0.268 0.000) 0.268 35.659 ( 0.000 2.868 0.000) 2.868 35.784 ( 0.000 -3.077 0.000) 3.077 35.980 ( 0.000 3.234 0.000) 3.234 36.074 ( 0.000 -1.280 0.000) 1.280 36.858 ( 0.000 2.240 0.000) 2.240 36.965 ( 0.000 -2.989 0.000) 2.989 37.496 ( 0.000 4.058 0.000) 4.058 37.629 ( 0.000 -3.451 0.000) 3.451 37.713 ( 0.000 1.096 0.000) 1.096 37.807 ( 0.000 -1.320 0.000) 1.320 37.897 ( 0.000 0.742 0.000) 0.742 37.910 ( 0.000 -1.849 0.000) 1.849 38.391 ( 0.000 12.956 0.000) 12.956 39.031 ( 0.000 -17.757 0.000) 17.757 39.940 ( 0.000 -2.471 0.000) 2.471 39.957 ( 0.000 -3.151 0.000) 3.151 ======================= Grid point 22 (14/100) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 0.460 20.169 0.818) 20.191 1.711 ( 3.339 19.825 2.020) 20.205 2.022 ( -3.801 2.990 2.258) 5.337 2.048 ( -6.875 4.011 0.032) 7.959 2.262 ( 0.647 -5.092 -0.565) 5.164 2.436 ( 11.880 10.433 1.005) 15.843 2.466 ( -3.222 -5.634 6.555) 9.224 2.631 ( 4.010 -0.500 -4.170) 5.807 2.665 ( 2.660 3.861 0.844) 4.764 2.856 ( 3.178 -6.174 0.824) 6.992 2.973 ( 1.343 -4.158 2.615) 5.092 3.080 ( 2.421 -6.943 0.931) 7.412 3.612 ( 4.751 7.976 -0.966) 9.334 3.822 ( -7.497 1.064 0.344) 7.580 3.887 ( -3.234 0.479 3.747) 4.973 3.977 ( -5.017 -8.184 -0.960) 9.647 4.343 ( -3.716 2.301 -1.603) 4.655 4.483 ( 1.690 0.649 5.118) 5.429 4.612 ( 4.549 6.885 1.093) 8.324 4.826 ( 8.940 -3.236 4.948) 10.718 4.848 ( 6.894 -1.872 3.041) 7.764 4.911 ( -3.574 3.619 -1.538) 5.314 5.008 ( 1.503 -6.367 4.456) 7.915 5.175 ( 0.210 -2.411 -6.568) 6.999 5.290 ( -1.020 10.723 1.059) 10.823 5.384 ( 0.851 9.743 2.714) 10.150 5.410 ( 8.000 7.319 -0.464) 10.853 5.524 ( 2.553 1.038 -1.489) 3.132 5.582 ( 4.400 -2.704 3.848) 6.441 5.790 ( -2.636 -9.538 -1.104) 9.957 5.884 ( 7.680 -1.473 -0.298) 7.826 6.021 ( 11.835 -7.009 1.643) 13.852 6.330 ( 2.751 0.306 -9.556) 9.949 6.405 ( 2.886 -1.118 3.424) 4.616 6.573 ( -1.916 -3.729 -9.658) 10.529 6.612 ( 0.814 -3.735 -2.553) 4.597 6.743 ( -4.993 7.865 1.420) 9.423 6.927 ( 2.207 6.140 3.606) 7.455 7.011 ( -7.251 7.588 1.372) 10.585 7.094 ( 1.977 -0.890 -1.803) 2.820 7.179 ( -7.994 -0.008 0.240) 7.998 7.457 ( 4.658 3.836 2.657) 6.593 7.505 ( -2.152 2.868 3.311) 4.881 7.571 ( -0.814 0.647 2.173) 2.409 7.652 ( 2.866 -3.041 4.115) 5.865 7.767 ( -8.756 -5.858 -1.801) 10.688 7.871 ( -0.058 -0.364 -2.104) 2.136 7.921 ( 3.974 3.496 -2.350) 5.791 8.130 ( 6.970 -0.861 -0.306) 7.030 8.176 ( -2.931 -3.338 -2.794) 5.248 8.280 ( 4.393 -5.414 -1.068) 7.054 8.408 ( 8.225 -1.403 -2.191) 8.627 8.509 ( -0.859 -0.770 -0.730) 1.365 8.668 ( 2.588 2.634 6.294) 7.297 8.729 ( -0.736 -2.727 -1.207) 3.072 8.876 ( -3.071 -0.563 6.588) 7.290 9.249 ( -3.683 6.796 -2.125) 8.016 9.339 ( -4.491 -0.986 1.518) 4.842 9.409 ( -6.382 2.752 0.589) 6.975 9.499 ( -3.380 0.673 -5.114) 6.167 9.641 ( -10.717 -4.026 -0.183) 11.449 9.704 ( -5.764 -7.201 -5.026) 10.504 9.859 ( -4.454 6.436 -5.466) 9.546 9.969 ( -2.651 2.141 1.392) 3.680 10.066 ( -0.274 -5.865 -2.272) 6.296 10.271 ( -7.851 -6.400 -1.860) 10.299 10.853 ( 2.407 4.616 -0.219) 5.210 10.998 ( 1.711 -2.193 1.195) 3.028 11.399 ( -0.419 2.062 -0.567) 2.179 11.549 ( 0.351 4.457 -1.116) 4.608 11.555 ( -1.201 -3.794 -0.201) 3.984 11.682 ( -2.873 -1.019 -5.489) 6.279 12.391 ( 1.994 1.718 -0.608) 2.702 12.446 ( 0.185 -0.892 -0.792) 1.207 12.593 ( -1.285 -2.856 1.128) 3.329 12.647 ( 3.259 -4.146 -1.823) 5.580 12.734 ( -1.667 3.672 -2.001) 4.502 12.878 ( 0.145 -2.002 3.900) 4.387 13.048 ( 4.274 -1.347 5.911) 7.418 13.069 ( 2.876 -1.964 1.889) 3.962 14.216 ( 4.674 3.938 2.742) 6.698 14.361 ( 2.361 -1.008 0.363) 2.593 14.543 ( -3.857 8.273 1.571) 9.262 14.824 ( -1.890 -4.951 3.347) 6.268 14.889 ( 3.719 3.351 -0.579) 5.039 15.134 ( -2.427 -4.630 -2.559) 5.820 15.183 ( -2.285 -0.861 -3.167) 3.999 15.274 ( -4.930 -4.660 5.640) 8.823 15.526 ( -0.732 0.040 -1.369) 1.553 15.607 ( -1.458 -3.959 -2.697) 5.007 16.011 ( 2.182 2.356 0.751) 3.298 16.103 ( 0.087 -0.559 1.440) 1.547 16.293 ( 0.363 4.030 -0.927) 4.151 16.379 ( -1.346 -0.742 2.389) 2.841 16.473 ( -1.267 1.124 -2.907) 3.364 16.508 ( -0.069 -0.644 -2.918) 2.989 16.861 ( -1.879 0.103 -1.886) 2.665 16.926 ( 0.447 -3.010 -4.468) 5.406 17.147 ( 0.258 1.549 1.779) 2.373 17.227 ( 3.736 -1.182 1.663) 4.256 17.398 ( -3.033 0.865 3.229) 4.514 17.436 ( -4.806 -0.428 0.801) 4.891 17.691 ( -1.668 2.589 -0.907) 3.211 17.729 ( 0.814 0.750 2.577) 2.805 18.178 ( 2.159 2.487 1.408) 3.582 18.250 ( 7.636 2.827 -3.766) 8.972 18.284 ( 2.933 -2.311 1.059) 3.882 18.381 ( 6.288 -3.091 -0.522) 7.026 18.780 ( -1.974 2.969 0.986) 3.699 18.902 ( 0.814 -2.259 -0.676) 2.495 19.041 ( -1.448 1.346 -0.126) 1.981 19.062 ( -2.096 -0.644 0.982) 2.403 21.020 ( 0.189 4.683 0.586) 4.724 21.131 ( -0.430 5.918 -0.211) 5.937 21.152 ( -0.988 -0.155 0.167) 1.014 21.342 ( -0.953 -1.606 0.550) 1.946 21.371 ( 1.486 -1.937 0.182) 2.448 21.395 ( 1.045 -2.641 -0.309) 2.857 21.590 ( -1.982 1.350 -0.959) 2.582 21.667 ( -4.311 -1.680 -2.637) 5.325 26.792 ( -0.850 1.551 -0.159) 1.776 26.844 ( -0.372 -1.001 -0.269) 1.101 26.897 ( 0.428 0.744 0.754) 1.142 26.933 ( 0.219 -1.027 0.422) 1.132 27.663 ( 0.088 0.478 -0.176) 0.517 27.680 ( 0.613 -0.168 0.266) 0.689 27.728 ( 0.589 0.100 -0.353) 0.693 27.739 ( 0.632 -0.396 0.042) 0.747 35.660 ( -0.489 3.171 1.132) 3.403 35.810 ( 0.199 -4.134 3.367) 5.335 35.999 ( 1.325 4.144 1.930) 4.760 36.119 ( 2.511 -1.587 3.590) 4.660 36.899 ( 1.644 1.484 3.613) 4.238 36.986 ( 1.276 -2.576 1.362) 3.181 37.505 ( 2.054 4.006 -2.262) 5.038 37.601 ( -2.387 -0.839 -2.587) 3.619 37.710 ( -0.685 0.673 -2.644) 2.813 37.822 ( 4.212 -3.718 0.659) 5.657 37.974 ( 6.393 -0.103 0.132) 6.395 38.006 ( 11.354 -2.767 -2.529) 11.956 38.385 ( -2.533 12.670 3.848) 13.482 39.010 ( -3.103 -17.377 1.912) 17.755 39.874 ( -5.476 -1.754 -4.373) 7.224 39.954 ( 2.830 -6.778 -4.089) 8.406 ======================= Grid point 23 (15/100) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 1.697 11.970 0.927) 12.125 1.823 ( 6.096 8.446 -0.590) 10.433 1.908 ( -5.484 0.215 2.675) 6.105 2.053 ( -0.067 9.333 5.940) 11.063 2.256 ( 1.210 -4.871 -2.536) 5.624 2.411 ( -6.639 -5.443 4.300) 9.602 2.510 ( -2.150 3.071 -4.385) 5.769 2.664 ( -0.104 -3.142 0.067) 3.145 2.779 ( 6.937 5.419 1.155) 8.878 2.900 ( 1.939 -1.992 -2.294) 3.604 3.078 ( 5.551 -0.289 4.081) 6.896 3.166 ( 3.649 -5.215 2.868) 6.981 3.586 ( -1.900 3.530 -2.680) 4.822 3.809 ( 3.675 0.206 1.354) 3.922 3.891 ( -1.663 -2.283 5.926) 6.565 4.001 ( 0.929 -2.201 3.832) 4.516 4.246 ( -3.342 6.038 -2.276) 7.267 4.466 ( -3.849 -1.026 0.969) 4.100 4.631 ( -5.272 8.115 -1.306) 9.765 4.690 ( -0.632 13.532 -2.821) 13.837 4.936 ( 3.889 -2.587 -1.113) 4.801 5.149 ( 3.833 -0.870 6.408) 7.517 5.179 ( 2.970 -2.241 3.159) 4.881 5.240 ( 7.515 0.806 1.915) 7.797 5.282 ( 4.428 3.631 3.130) 6.526 5.442 ( 2.822 -2.722 1.695) 4.271 5.457 ( -1.931 2.576 -6.647) 7.386 5.628 ( 6.099 8.491 7.168) 12.676 5.708 ( -1.101 -4.689 0.506) 4.843 5.786 ( 11.673 0.504 -0.257) 11.687 6.013 ( 1.599 0.920 3.182) 3.678 6.143 ( 3.772 -3.481 -8.226) 9.696 6.288 ( 0.969 -5.586 -6.564) 8.673 6.420 ( -2.041 -9.611 -5.952) 11.487 6.542 ( 6.181 0.042 -0.724) 6.223 6.660 ( 4.816 -2.290 2.214) 5.774 6.724 ( 1.285 4.003 -1.721) 4.542 6.833 ( -10.807 5.050 -2.189) 12.128 6.945 ( -1.417 2.245 2.247) 3.478 7.033 ( 1.668 0.646 2.589) 3.147 7.268 ( 5.495 2.040 1.601) 6.076 7.390 ( -7.434 4.946 -2.297) 9.220 7.459 ( -3.524 0.476 2.826) 4.542 7.585 ( 0.036 -0.378 0.296) 0.482 7.745 ( 2.664 -1.404 7.868) 8.425 7.797 ( -3.009 -4.735 -3.176) 6.446 7.849 ( 6.969 -3.892 7.334) 10.840 7.937 ( -0.507 -5.354 0.593) 5.411 8.112 ( -0.210 10.910 -6.822) 12.869 8.198 ( 2.051 0.974 -0.290) 2.289 8.344 ( 2.537 -3.351 -1.120) 4.350 8.504 ( -0.850 -3.052 -0.713) 3.247 8.616 ( 14.012 -0.050 -1.816) 14.130 8.675 ( -2.638 -0.427 -1.056) 2.873 8.810 ( -6.013 5.146 0.905) 7.966 8.818 ( 6.578 -0.268 6.229) 9.063 9.072 ( -12.291 5.333 -0.624) 13.413 9.223 ( -7.780 3.920 1.387) 8.821 9.338 ( -0.983 3.308 -3.435) 4.869 9.379 ( -3.842 -4.919 -2.405) 6.689 9.457 ( -11.921 -4.613 3.184) 13.173 9.550 ( -4.471 -5.640 -5.547) 9.086 9.686 ( -3.726 3.718 -6.035) 8.008 9.918 ( -2.638 0.730 -0.190) 2.743 9.996 ( -5.467 -5.959 -2.684) 8.521 10.125 ( -3.906 -5.920 -0.673) 7.124 10.906 ( 2.819 3.516 -0.278) 4.516 11.031 ( 0.821 -1.942 0.084) 2.110 11.370 ( -1.333 2.793 -1.325) 3.367 11.490 ( -1.308 0.812 -2.205) 2.689 11.586 ( -0.227 -1.028 1.105) 1.526 11.605 ( 0.379 -0.979 -3.125) 3.297 12.413 ( 0.825 0.594 -0.975) 1.409 12.460 ( 1.532 1.132 0.153) 1.911 12.584 ( -0.375 -1.997 0.274) 2.050 12.674 ( 1.058 -3.848 -1.812) 4.383 12.726 ( 0.890 4.519 0.808) 4.676 12.915 ( 0.088 -3.536 2.974) 4.621 13.133 ( 1.979 -1.252 1.515) 2.789 13.193 ( 4.494 -3.713 5.127) 7.763 14.313 ( 1.216 3.613 2.754) 4.703 14.358 ( -0.156 5.548 -1.303) 5.701 14.559 ( 3.277 2.212 1.663) 4.289 14.782 ( -5.241 -6.156 1.832) 8.290 14.944 ( 0.125 1.853 0.877) 2.054 15.069 ( -1.051 -2.697 -0.541) 2.945 15.127 ( 0.202 -3.734 -3.945) 5.436 15.222 ( -3.795 -8.226 2.550) 9.411 15.491 ( -1.823 0.549 -0.999) 2.150 15.558 ( -1.200 -1.889 -1.809) 2.878 16.053 ( 1.686 2.355 -0.035) 2.896 16.119 ( 0.655 -0.316 0.510) 0.888 16.277 ( -1.062 4.786 -0.255) 4.910 16.354 ( -3.813 0.599 1.937) 4.319 16.440 ( -0.310 1.471 0.054) 1.504 16.485 ( 0.587 -0.431 -2.766) 2.860 16.814 ( -0.315 -0.743 -1.928) 2.090 16.873 ( -1.656 -3.655 -3.551) 5.358 17.164 ( 0.286 1.765 0.467) 1.848 17.273 ( -0.093 -2.610 -0.295) 2.628 17.373 ( -1.246 2.741 1.993) 3.610 17.430 ( 1.698 -0.104 3.025) 3.470 17.643 ( -2.171 3.716 -1.241) 4.479 17.771 ( 0.794 -2.254 2.046) 3.146 18.253 ( 3.918 1.830 0.564) 4.361 18.330 ( 0.560 -1.448 1.183) 1.952 18.373 ( 8.554 3.455 -3.673) 9.930 18.480 ( 3.349 -1.340 0.452) 3.636 18.746 ( -2.350 3.652 0.725) 4.403 18.902 ( 0.185 -4.069 -1.376) 4.300 19.013 ( -1.718 1.227 0.911) 2.300 19.038 ( -1.164 -0.318 1.083) 1.622 21.033 ( 0.377 3.944 0.897) 4.062 21.117 ( -0.713 2.331 -0.447) 2.479 21.132 ( -0.949 4.020 -0.017) 4.130 21.333 ( -0.613 -2.207 0.750) 2.410 21.386 ( 0.186 0.094 -1.349) 1.365 21.426 ( 2.245 -1.587 0.873) 2.885 21.535 ( -2.101 0.438 -0.978) 2.359 21.571 ( -3.201 -0.385 -1.861) 3.723 26.772 ( -0.921 1.679 -0.162) 1.922 26.837 ( -0.158 -1.601 -0.151) 1.616 26.910 ( 0.250 0.894 0.577) 1.093 26.942 ( 0.230 -0.767 0.393) 0.892 27.667 ( 0.339 0.927 0.044) 0.988 27.693 ( 0.416 0.174 0.043) 0.453 27.738 ( 0.797 -0.209 -0.263) 0.865 27.751 ( 0.434 -0.786 0.047) 0.899 35.661 ( -0.506 3.615 1.007) 3.787 35.835 ( -0.478 -4.825 2.282) 5.359 36.060 ( 2.104 5.194 2.686) 6.215 36.210 ( 2.610 -1.731 3.688) 4.839 36.958 ( 0.835 1.198 2.860) 3.211 37.025 ( 1.053 -1.912 1.385) 2.586 37.496 ( -0.083 1.655 -4.602) 4.891 37.512 ( -3.742 0.995 -1.672) 4.218 37.680 ( 0.564 5.684 -0.267) 5.718 37.958 ( 8.259 -6.751 -1.166) 10.731 38.076 ( 5.105 0.948 -1.303) 5.354 38.219 ( 9.613 -4.739 -1.406) 10.809 38.383 ( -1.480 9.352 5.444) 10.922 38.963 ( -3.938 -17.392 3.085) 18.097 39.692 ( -6.539 1.416 -7.075) 9.738 39.973 ( 2.525 -13.887 -2.915) 14.412 ======================= Grid point 24 (16/100) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 0.000 6.667 0.000) 6.667 1.834 ( 0.000 -3.760 -0.000) 3.760 1.941 ( -0.000 7.451 0.000) 7.451 2.084 ( 0.000 9.464 0.000) 9.464 2.274 ( 0.000 -4.798 -0.000) 4.798 2.330 ( -0.000 -2.240 0.000) 2.240 2.450 ( 0.000 4.085 0.000) 4.085 2.659 ( 0.000 -5.415 -0.000) 5.415 2.872 ( -0.000 1.541 -0.000) 1.541 2.875 ( 0.000 1.979 0.000) 1.979 3.175 ( 0.000 -1.920 0.000) 1.920 3.217 ( 0.000 -3.766 0.000) 3.766 3.566 ( 0.000 3.338 0.000) 3.338 3.857 ( 0.000 -10.216 0.000) 10.216 3.945 ( 0.000 4.111 0.000) 4.111 3.981 ( 0.000 2.825 0.000) 2.825 4.213 ( 0.000 4.669 0.000) 4.669 4.421 ( 0.000 0.029 0.000) 0.029 4.547 ( 0.000 13.884 0.000) 13.884 4.701 ( 0.000 16.277 0.000) 16.277 5.023 ( 0.000 -8.210 0.000) 8.210 5.126 ( 0.000 6.978 0.000) 6.978 5.255 ( 0.000 -5.138 0.000) 5.138 5.308 ( 0.000 2.154 -0.000) 2.154 5.359 ( 0.000 -1.872 0.000) 1.872 5.365 ( -0.000 8.481 -0.000) 8.481 5.514 ( 0.000 -13.110 0.000) 13.110 5.639 ( 0.000 0.902 0.000) 0.902 5.812 ( 0.000 6.579 0.000) 6.579 5.913 ( 0.000 7.932 0.000) 7.932 6.066 ( -0.000 -3.104 0.000) 3.104 6.111 ( 0.000 -5.446 -0.000) 5.446 6.264 ( -0.000 -1.307 -0.000) 1.307 6.450 ( 0.000 1.728 0.000) 1.728 6.463 ( -0.000 -11.305 -0.000) 11.305 6.612 ( 0.000 -7.128 0.000) 7.128 6.731 ( -0.000 2.378 0.000) 2.378 6.819 ( 0.000 -1.583 0.000) 1.583 7.016 ( 0.000 7.293 0.000) 7.293 7.108 ( 0.000 10.405 0.000) 10.405 7.196 ( 0.000 1.381 0.000) 1.381 7.387 ( 0.000 1.182 0.000) 1.182 7.411 ( 0.000 -6.091 0.000) 6.091 7.635 ( 0.000 -5.866 0.000) 5.866 7.739 ( 0.000 -3.635 0.000) 3.635 7.788 ( -0.000 3.180 -0.000) 3.180 7.970 ( -0.000 -7.779 0.000) 7.779 8.058 ( 0.000 -0.271 0.000) 0.271 8.074 ( 0.000 11.404 0.000) 11.404 8.094 ( -0.000 -2.555 -0.000) 2.555 8.346 ( 0.000 1.648 0.000) 1.648 8.500 ( 0.000 -5.251 0.000) 5.251 8.658 ( 0.000 4.348 0.000) 4.348 8.723 ( 0.000 5.488 -0.000) 5.488 8.746 ( -0.000 1.701 0.000) 1.701 8.936 ( 0.000 1.673 -0.000) 1.673 9.040 ( 0.000 5.214 0.000) 5.214 9.152 ( 0.000 0.496 -0.000) 0.496 9.162 ( -0.000 0.074 0.000) 0.074 9.312 ( 0.000 -5.002 0.000) 5.002 9.391 ( 0.000 0.165 -0.000) 0.165 9.465 ( 0.000 -4.355 0.000) 4.355 9.649 ( 0.000 -0.539 0.000) 0.539 9.882 ( 0.000 -5.235 0.000) 5.235 9.912 ( 0.000 -1.807 0.000) 1.807 10.093 ( 0.000 -4.828 0.000) 4.828 10.933 ( 0.000 2.645 0.000) 2.645 11.036 ( 0.000 -1.971 0.000) 1.971 11.348 ( 0.000 2.963 0.000) 2.963 11.467 ( 0.000 0.394 -0.000) 0.394 11.576 ( 0.000 0.663 0.000) 0.663 11.610 ( 0.000 -2.115 0.000) 2.115 12.414 ( 0.000 0.753 0.000) 0.753 12.480 ( 0.000 1.028 0.000) 1.028 12.583 ( 0.000 -1.233 0.000) 1.233 12.672 ( 0.000 -1.524 0.000) 1.524 12.743 ( 0.000 2.451 0.000) 2.451 12.932 ( 0.000 -4.273 0.000) 4.273 13.161 ( 0.000 -0.591 0.000) 0.591 13.269 ( 0.000 -5.025 0.000) 5.025 14.311 ( 0.000 6.252 -0.000) 6.252 14.374 ( 0.000 5.250 0.000) 5.250 14.659 ( 0.000 -2.261 0.000) 2.261 14.675 ( -0.000 -4.698 0.000) 4.698 14.939 ( 0.000 2.366 0.000) 2.366 15.072 ( 0.000 -2.521 0.000) 2.521 15.109 ( 0.000 -4.538 -0.000) 4.538 15.199 ( 0.000 -9.090 0.000) 9.090 15.461 ( 0.000 1.092 0.000) 1.092 15.536 ( 0.000 -1.259 0.000) 1.259 16.069 ( 0.000 2.214 -0.000) 2.214 16.130 ( -0.000 -0.575 0.000) 0.575 16.264 ( -0.000 4.710 0.000) 4.710 16.318 ( 0.000 1.115 0.000) 1.115 16.441 ( 0.000 1.333 -0.000) 1.333 16.475 ( 0.000 -0.057 0.000) 0.057 16.815 ( 0.000 -1.621 0.000) 1.621 16.826 ( 0.000 -3.355 -0.000) 3.355 17.170 ( 0.000 1.576 0.000) 1.576 17.260 ( 0.000 -2.389 0.000) 2.389 17.383 ( 0.000 3.567 -0.000) 3.567 17.475 ( 0.000 -1.165 0.000) 1.165 17.606 ( 0.000 5.336 0.000) 5.336 17.789 ( 0.000 -3.124 0.000) 3.124 18.302 ( -0.000 0.418 0.000) 0.418 18.333 ( 0.000 -0.841 -0.000) 0.841 18.457 ( -0.000 3.436 0.000) 3.436 18.502 ( 0.000 0.203 0.000) 0.203 18.722 ( 0.000 3.904 0.000) 3.904 18.894 ( 0.000 -4.745 0.000) 4.745 19.001 ( 0.000 1.444 -0.000) 1.444 19.036 ( 0.000 -0.631 0.000) 0.631 21.044 ( -0.000 3.342 -0.000) 3.342 21.103 ( 0.000 0.437 0.000) 0.437 21.124 ( 0.000 6.625 0.000) 6.625 21.333 ( 0.000 -2.719 -0.000) 2.719 21.374 ( 0.000 2.591 0.000) 2.591 21.469 ( -0.000 -2.499 -0.000) 2.499 21.510 ( -0.000 0.228 -0.000) 0.228 21.519 ( 0.000 -0.717 0.000) 0.717 26.762 ( 0.000 1.750 0.000) 1.750 26.835 ( 0.000 -1.959 0.000) 1.959 26.916 ( 0.000 1.007 0.000) 1.007 26.946 ( 0.000 -0.651 0.000) 0.651 27.672 ( 0.000 1.144 0.000) 1.144 27.696 ( 0.000 0.501 0.000) 0.501 27.747 ( -0.000 -0.301 0.000) 0.301 27.754 ( 0.000 -1.176 0.000) 1.176 35.661 ( 0.000 3.781 0.000) 3.781 35.841 ( 0.000 -4.861 0.000) 4.861 36.099 ( -0.000 5.529 0.000) 5.529 36.258 ( 0.000 -1.664 0.000) 1.664 36.980 ( 0.000 1.263 0.000) 1.263 37.042 ( 0.000 -1.670 0.000) 1.670 37.458 ( 0.000 0.754 0.000) 0.754 37.466 ( 0.000 1.104 0.000) 1.104 37.694 ( -0.000 8.230 0.000) 8.230 38.042 ( 0.000 -6.158 0.000) 6.158 38.121 ( 0.000 0.230 0.000) 0.230 38.278 ( 0.000 4.070 -0.000) 4.070 38.428 ( 0.000 -2.077 0.000) 2.077 38.941 ( 0.000 -18.351 0.000) 18.351 39.576 ( 0.000 4.446 0.000) 4.446 39.984 ( 0.000 -17.068 0.000) 17.068 ======================= Grid point 28 (17/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.000 -15.146 0.000) 15.146 1.881 ( 0.000 15.146 0.000) 15.146 2.145 ( 0.000 -17.936 0.000) 17.936 2.145 ( 0.000 17.936 0.000) 17.936 2.251 ( 0.000 -4.391 0.000) 4.391 2.251 ( 0.000 4.391 0.000) 4.391 2.483 ( 0.000 -6.793 0.000) 6.793 2.483 ( 0.000 6.793 0.000) 6.793 2.722 ( 0.000 -4.300 0.000) 4.300 2.722 ( 0.000 4.300 0.000) 4.300 2.927 ( 0.000 -3.308 0.000) 3.308 2.927 ( 0.000 3.308 0.000) 3.308 3.747 ( 0.000 -9.434 0.000) 9.434 3.747 ( 0.000 9.434 0.000) 9.434 4.026 ( 0.000 -0.424 0.000) 0.424 4.026 ( 0.000 0.424 0.000) 0.424 4.390 ( 0.000 -5.972 0.000) 5.972 4.390 ( 0.000 5.972 0.000) 5.972 4.549 ( 0.000 -4.527 0.000) 4.527 4.549 ( 0.000 4.527 0.000) 4.527 4.813 ( 0.000 -3.598 0.000) 3.598 4.813 ( 0.000 3.598 0.000) 3.598 5.208 ( 0.000 -2.677 0.000) 2.677 5.208 ( 0.000 2.677 0.000) 2.677 5.360 ( 0.000 -7.618 0.000) 7.618 5.360 ( 0.000 7.618 0.000) 7.618 5.519 ( 0.000 -6.849 0.000) 6.849 5.519 ( 0.000 6.849 0.000) 6.849 5.665 ( 0.000 -6.174 0.000) 6.174 5.665 ( 0.000 6.174 0.000) 6.174 5.710 ( 0.000 -1.623 0.000) 1.623 5.710 ( 0.000 1.623 0.000) 1.623 6.362 ( 0.000 -2.509 0.000) 2.509 6.362 ( 0.000 2.509 0.000) 2.509 6.572 ( 0.000 -2.344 0.000) 2.344 6.572 ( 0.000 2.344 0.000) 2.344 6.937 ( 0.000 -1.973 0.000) 1.973 6.937 ( 0.000 1.973 0.000) 1.973 7.216 ( 0.000 -1.841 0.000) 1.841 7.216 ( 0.000 1.841 0.000) 1.841 7.283 ( 0.000 -6.895 0.000) 6.895 7.283 ( 0.000 6.895 0.000) 6.895 7.436 ( 0.000 -4.837 0.000) 4.837 7.436 ( 0.000 4.837 0.000) 4.837 7.828 ( 0.000 -1.659 0.000) 1.659 7.828 ( 0.000 1.659 0.000) 1.659 7.891 ( 0.000 -1.451 0.000) 1.451 7.891 ( 0.000 1.451 0.000) 1.451 8.091 ( 0.000 -3.088 0.000) 3.088 8.091 ( 0.000 3.088 0.000) 3.088 8.202 ( 0.000 -2.744 0.000) 2.744 8.202 ( 0.000 2.744 0.000) 2.744 8.625 ( 0.000 -0.056 0.000) 0.056 8.625 ( 0.000 0.056 0.000) 0.056 8.766 ( 0.000 -4.615 0.000) 4.615 8.766 ( 0.000 4.615 0.000) 4.615 9.344 ( 0.000 -0.812 0.000) 0.812 9.344 ( 0.000 0.812 0.000) 0.812 9.572 ( 0.000 -6.961 0.000) 6.961 9.572 ( 0.000 6.961 0.000) 6.961 9.674 ( 0.000 -3.942 0.000) 3.942 9.674 ( 0.000 3.942 0.000) 3.942 9.992 ( 0.000 -3.202 0.000) 3.202 9.992 ( 0.000 3.202 0.000) 3.202 10.191 ( 0.000 -11.157 0.000) 11.157 10.191 ( 0.000 11.157 0.000) 11.157 10.912 ( 0.000 -3.535 0.000) 3.535 10.912 ( 0.000 3.535 0.000) 3.535 11.458 ( 0.000 -3.860 0.000) 3.860 11.458 ( 0.000 3.860 0.000) 3.860 11.687 ( 0.000 -4.479 0.000) 4.479 11.687 ( 0.000 4.479 0.000) 4.479 12.417 ( 0.000 -2.008 0.000) 2.008 12.417 ( 0.000 2.008 0.000) 2.008 12.575 ( 0.000 -0.132 0.000) 0.132 12.575 ( 0.000 0.132 0.000) 0.132 12.813 ( 0.000 -0.390 0.000) 0.390 12.813 ( 0.000 0.390 0.000) 0.390 12.991 ( 0.000 -1.924 0.000) 1.924 12.991 ( 0.000 1.924 0.000) 1.924 14.244 ( 0.000 -5.033 0.000) 5.033 14.244 ( 0.000 5.033 0.000) 5.033 14.715 ( 0.000 -6.211 0.000) 6.211 14.715 ( 0.000 6.211 0.000) 6.211 15.026 ( 0.000 -9.674 0.000) 9.674 15.026 ( 0.000 9.674 0.000) 9.674 15.251 ( 0.000 -1.228 0.000) 1.228 15.251 ( 0.000 1.228 0.000) 1.228 15.564 ( 0.000 -2.554 0.000) 2.554 15.564 ( 0.000 2.554 0.000) 2.554 16.040 ( 0.000 -3.476 0.000) 3.476 16.040 ( 0.000 3.476 0.000) 3.476 16.348 ( 0.000 -2.196 0.000) 2.196 16.348 ( 0.000 2.196 0.000) 2.196 16.516 ( 0.000 -0.507 0.000) 0.507 16.516 ( 0.000 0.507 0.000) 0.507 16.899 ( 0.000 -1.260 0.000) 1.260 16.899 ( 0.000 1.260 0.000) 1.260 17.161 ( 0.000 -0.724 0.000) 0.724 17.161 ( 0.000 0.724 0.000) 0.724 17.451 ( 0.000 -1.750 0.000) 1.750 17.451 ( 0.000 1.750 0.000) 1.750 17.741 ( 0.000 -0.858 0.000) 0.858 17.741 ( 0.000 0.858 0.000) 0.858 18.196 ( 0.000 -2.002 0.000) 2.002 18.196 ( 0.000 2.002 0.000) 2.002 18.240 ( 0.000 -2.994 0.000) 2.994 18.240 ( 0.000 2.994 0.000) 2.994 18.850 ( 0.000 -2.988 0.000) 2.988 18.850 ( 0.000 2.988 0.000) 2.988 19.073 ( 0.000 -0.263 0.000) 0.263 19.073 ( 0.000 0.263 0.000) 0.263 21.108 ( 0.000 -4.165 0.000) 4.165 21.108 ( 0.000 4.165 0.000) 4.165 21.264 ( 0.000 -6.132 0.000) 6.132 21.264 ( 0.000 6.132 0.000) 6.132 21.348 ( 0.000 -0.026 0.000) 0.026 21.348 ( 0.000 0.026 0.000) 0.026 21.661 ( 0.000 -3.091 0.000) 3.091 21.661 ( 0.000 3.091 0.000) 3.091 26.829 ( 0.000 -1.313 0.000) 1.313 26.829 ( 0.000 1.313 0.000) 1.313 26.906 ( 0.000 -1.095 0.000) 1.095 26.906 ( 0.000 1.095 0.000) 1.095 27.669 ( 0.000 -0.110 0.000) 0.110 27.669 ( 0.000 0.110 0.000) 0.110 27.727 ( 0.000 -0.278 0.000) 0.278 27.727 ( 0.000 0.278 0.000) 0.278 35.720 ( 0.000 -3.329 0.000) 3.329 35.720 ( 0.000 3.329 0.000) 3.329 36.037 ( 0.000 -2.463 0.000) 2.463 36.037 ( 0.000 2.463 0.000) 2.463 36.908 ( 0.000 -2.789 0.000) 2.789 36.908 ( 0.000 2.789 0.000) 2.789 37.566 ( 0.000 -3.161 0.000) 3.161 37.566 ( 0.000 3.161 0.000) 3.161 37.757 ( 0.000 -3.118 0.000) 3.118 37.757 ( 0.000 3.118 0.000) 3.118 37.898 ( 0.000 -0.183 0.000) 0.183 37.898 ( 0.000 0.183 0.000) 0.183 38.687 ( 0.000 -16.848 0.000) 16.848 38.687 ( 0.000 16.848 0.000) 16.848 39.919 ( 0.000 -0.481 0.000) 0.481 39.919 ( 0.000 0.481 0.000) 0.481 ======================= Grid point 30 (18/100) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -2.126 -11.441 -3.090) 12.040 1.847 ( -2.126 11.441 -3.090) 12.040 2.081 ( -5.515 -8.778 4.366) 11.248 2.081 ( -5.515 8.778 4.366) 11.248 2.248 ( -0.265 -9.804 1.913) 9.993 2.248 ( -0.265 9.804 1.913) 9.993 2.591 ( 5.703 -3.732 -2.465) 7.247 2.591 ( 5.703 3.732 -2.465) 7.247 2.761 ( 3.489 -4.706 3.139) 6.647 2.761 ( 3.489 4.707 3.139) 6.647 2.970 ( 3.911 -3.431 1.563) 5.433 2.970 ( 3.911 3.431 1.563) 5.433 3.765 ( -0.220 -7.314 -4.240) 8.457 3.765 ( -0.220 7.314 -4.240) 8.457 3.891 ( -5.441 -0.705 5.034) 7.446 3.891 ( -5.441 0.705 5.034) 7.446 4.427 ( -1.203 -5.085 0.123) 5.227 4.427 ( -1.203 5.085 0.123) 5.227 4.770 ( 13.471 -5.999 10.450) 18.074 4.770 ( 13.471 5.999 10.450) 18.074 4.824 ( 2.046 -2.957 -0.806) 3.685 4.824 ( 2.046 2.957 -0.806) 3.685 5.068 ( -4.059 -6.875 -5.477) 9.682 5.068 ( -4.059 6.875 -5.477) 9.682 5.459 ( -0.160 -6.019 -0.199) 6.025 5.459 ( -0.160 6.019 -0.199) 6.025 5.534 ( 8.212 -0.903 -2.470) 8.623 5.534 ( 8.212 0.903 -2.470) 8.623 5.625 ( -1.652 -7.723 1.239) 7.994 5.625 ( -1.652 7.723 1.239) 7.994 5.880 ( 11.281 -4.562 3.836) 12.759 5.880 ( 11.281 4.562 3.836) 12.759 6.371 ( -0.510 -2.967 -2.824) 4.128 6.371 ( -0.510 2.967 -2.824) 4.128 6.540 ( 1.370 -2.043 -6.270) 6.735 6.540 ( 1.370 2.043 -6.270) 6.735 6.899 ( -5.031 -7.047 4.814) 9.907 6.899 ( -5.031 7.047 4.814) 9.907 7.087 ( -4.838 -2.484 -4.703) 7.190 7.087 ( -4.838 2.484 -4.703) 7.190 7.334 ( 0.365 -12.784 2.233) 12.982 7.334 ( 0.365 12.784 2.233) 12.982 7.547 ( 4.275 -1.242 8.219) 9.347 7.547 ( 4.275 1.242 8.219) 9.347 7.703 ( -6.993 -2.669 -2.526) 7.899 7.703 ( -6.993 2.669 -2.526) 7.899 7.879 ( -1.454 -5.249 -1.828) 5.745 7.879 ( -1.454 5.249 -1.828) 5.745 8.162 ( 3.866 -2.639 -1.243) 4.843 8.162 ( 3.866 2.639 -1.243) 4.843 8.274 ( 10.013 -7.928 -0.828) 12.798 8.274 ( 10.013 7.928 -0.828) 12.798 8.609 ( -0.009 -6.461 -3.901) 7.548 8.609 ( -0.009 6.461 -3.901) 7.548 8.797 ( -1.767 -6.152 8.864) 10.934 8.797 ( -1.767 6.152 8.864) 10.934 9.331 ( -3.167 -1.622 2.610) 4.413 9.331 ( -3.167 1.622 2.610) 4.413 9.492 ( -4.693 -4.803 -6.091) 9.066 9.492 ( -4.693 4.803 -6.091) 9.066 9.578 ( -8.591 -1.611 -0.779) 8.775 9.578 ( -8.591 1.611 -0.779) 8.775 9.959 ( -1.609 -4.297 -4.061) 6.127 9.959 ( -1.609 4.297 -4.061) 6.127 10.113 ( -6.783 -9.074 -1.018) 11.374 10.113 ( -6.783 9.074 -1.018) 11.374 10.935 ( 2.047 -3.850 0.201) 4.365 10.935 ( 2.047 3.850 0.201) 4.365 11.464 ( 0.008 -4.333 0.317) 4.344 11.464 ( 0.008 4.333 0.317) 4.344 11.637 ( -2.395 -3.473 -3.250) 5.326 11.637 ( -2.395 3.473 -3.250) 5.326 12.430 ( 0.809 -1.702 0.591) 1.975 12.430 ( 0.809 1.702 0.591) 1.975 12.576 ( 1.282 -1.936 -1.749) 2.907 12.576 ( 1.282 1.936 -1.749) 2.907 12.817 ( -0.249 -4.099 1.782) 4.477 12.817 ( -0.249 4.099 1.782) 4.477 13.042 ( 3.211 -0.793 2.709) 4.275 13.042 ( 3.211 0.793 2.709) 4.275 14.301 ( 3.912 -4.373 1.952) 6.184 14.301 ( 3.912 4.373 1.952) 6.184 14.694 ( -3.187 -7.163 2.358) 8.186 14.694 ( -3.187 7.163 2.358) 8.186 15.015 ( 0.828 -7.247 -2.941) 7.864 15.015 ( 0.828 7.247 -2.941) 7.864 15.198 ( -5.725 -2.363 1.020) 6.277 15.198 ( -5.725 2.363 1.020) 6.277 15.546 ( -0.605 -2.112 -1.405) 2.608 15.546 ( -0.605 2.112 -1.405) 2.608 16.067 ( 1.618 -2.831 0.734) 3.342 16.067 ( 1.618 2.831 0.734) 3.342 16.355 ( -0.126 -2.094 1.299) 2.467 16.355 ( -0.126 2.094 1.299) 2.467 16.492 ( -0.500 -0.903 -3.038) 3.208 16.492 ( -0.500 0.903 -3.038) 3.208 16.878 ( -0.741 -1.719 -3.416) 3.895 16.878 ( -0.741 1.719 -3.416) 3.895 17.187 ( 1.449 -2.398 1.772) 3.316 17.187 ( 1.449 2.398 1.772) 3.316 17.420 ( -3.372 -1.144 2.013) 4.091 17.420 ( -3.372 1.144 2.013) 4.091 17.727 ( -1.351 -0.967 0.964) 1.921 17.727 ( -1.351 0.967 0.964) 1.921 18.231 ( 3.039 -2.703 0.647) 4.118 18.231 ( 3.039 2.703 0.647) 4.118 18.315 ( 7.306 -3.413 -1.456) 8.195 18.315 ( 7.306 3.413 -1.456) 8.195 18.844 ( -0.970 -3.367 0.400) 3.527 18.844 ( -0.970 3.367 0.400) 3.527 19.056 ( -1.500 -0.316 0.001) 1.533 19.056 ( -1.500 0.316 0.001) 1.533 21.105 ( -0.475 -3.634 0.187) 3.670 21.105 ( -0.475 3.634 0.187) 3.670 21.258 ( -0.624 -5.905 0.263) 5.943 21.258 ( -0.624 5.905 0.263) 5.943 21.364 ( 1.345 -0.713 0.404) 1.575 21.364 ( 1.345 0.713 0.404) 1.575 21.626 ( -2.487 -2.171 -1.792) 3.757 21.626 ( -2.487 2.171 -1.792) 3.757 26.821 ( -0.638 -1.352 -0.274) 1.520 26.821 ( -0.638 1.352 -0.274) 1.520 26.913 ( 0.368 -0.938 0.603) 1.174 26.913 ( 0.368 0.938 0.603) 1.174 27.673 ( 0.449 -0.497 0.090) 0.676 27.673 ( 0.449 0.497 0.090) 0.676 27.732 ( 0.500 -0.301 -0.144) 0.601 27.732 ( 0.500 0.301 -0.144) 0.601 35.730 ( -0.207 -3.917 1.942) 4.377 35.730 ( -0.207 3.917 1.942) 4.377 36.073 ( 2.150 -3.160 2.814) 4.746 36.073 ( 2.150 3.160 2.814) 4.746 36.937 ( 1.617 -2.309 2.133) 3.535 36.937 ( 1.617 2.309 2.133) 3.535 37.569 ( 1.189 -2.440 -3.658) 4.555 37.569 ( 1.189 2.440 -3.658) 4.555 37.750 ( 0.403 -3.300 0.498) 3.361 37.750 ( 0.403 3.300 0.498) 3.361 37.977 ( 8.121 -0.618 -1.305) 8.249 37.977 ( 8.121 0.618 -1.305) 8.249 38.674 ( -2.976 -16.415 3.054) 16.960 38.674 ( -2.976 16.415 3.054) 16.960 39.871 ( -2.647 -1.816 -4.119) 5.222 39.871 ( -2.647 1.816 -4.119) 5.222 ======================= Grid point 32 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -3.427 -8.592 -1.312) 9.343 1.764 ( -3.427 8.592 -1.312) 9.343 2.075 ( 1.109 -10.099 1.034) 10.212 2.075 ( 1.109 10.099 1.034) 10.212 2.265 ( -1.390 -8.779 4.350) 9.896 2.265 ( -1.390 8.779 4.350) 9.896 2.581 ( -2.313 -4.362 -2.154) 5.387 2.581 ( -2.313 4.362 -2.154) 5.387 2.861 ( 3.760 -2.736 0.026) 4.650 2.861 ( 3.760 2.736 0.026) 4.650 3.092 ( 5.379 -2.090 2.728) 6.383 3.092 ( 5.379 2.090 2.728) 6.383 3.687 ( -0.965 -6.773 -2.325) 7.226 3.687 ( -0.965 6.773 -2.325) 7.226 3.951 ( 0.872 -3.370 6.467) 7.344 3.951 ( 0.872 3.370 6.467) 7.344 4.380 ( -3.296 -6.591 0.019) 7.369 4.380 ( -3.296 6.591 0.019) 7.369 4.809 ( 1.488 -8.221 -3.766) 9.164 4.809 ( 1.488 8.221 -3.766) 9.164 4.979 ( 3.975 -13.662 1.450) 14.302 4.979 ( 3.975 13.662 1.450) 14.302 5.178 ( 7.422 -2.213 6.840) 10.333 5.178 ( 7.422 2.213 6.840) 10.333 5.398 ( -1.340 -2.090 -4.728) 5.340 5.398 ( -1.340 2.090 -4.728) 5.340 5.578 ( -0.727 -8.356 0.351) 8.395 5.578 ( -0.727 8.356 0.351) 8.395 5.778 ( 10.949 -4.325 4.658) 12.660 5.778 ( 10.949 4.325 4.658) 12.660 6.055 ( 3.812 -4.761 -1.045) 6.188 6.055 ( 3.812 4.761 -1.045) 6.188 6.257 ( -1.581 -3.898 -8.181) 9.199 6.257 ( -1.581 3.898 -8.181) 9.199 6.585 ( 3.241 -3.907 0.523) 5.103 6.585 ( 3.241 3.907 0.523) 5.103 6.819 ( -6.631 -5.015 -0.999) 8.374 6.819 ( -6.631 5.015 -0.999) 8.374 7.021 ( 2.413 -3.748 2.452) 5.088 7.021 ( 2.413 3.748 2.452) 5.088 7.362 ( -0.314 -6.342 -0.544) 6.373 7.362 ( -0.314 6.342 -0.544) 6.373 7.523 ( -6.001 -5.058 0.211) 7.852 7.523 ( -6.001 5.058 0.211) 7.852 7.760 ( 5.731 -3.796 7.072) 9.862 7.760 ( 5.731 3.796 7.072) 9.862 7.820 ( -2.280 -5.075 0.863) 5.630 7.820 ( -2.280 5.075 0.863) 5.630 8.248 ( 5.657 -4.693 -3.167) 8.004 8.248 ( 5.657 4.693 -3.167) 8.004 8.361 ( -1.333 -10.136 -2.724) 10.580 8.361 ( -1.333 10.136 -2.724) 10.580 8.650 ( 7.506 -2.447 -0.396) 7.905 8.650 ( 7.506 2.447 -0.396) 7.905 8.835 ( -0.876 -1.217 6.128) 6.308 8.835 ( -0.876 1.217 6.128) 6.308 9.226 ( -8.888 -8.942 -3.272) 13.025 9.226 ( -8.888 8.942 -3.272) 13.025 9.327 ( -8.348 -5.441 2.356) 10.239 9.327 ( -8.348 5.441 2.356) 10.239 9.439 ( -2.774 -4.954 -3.176) 6.505 9.439 ( -2.774 4.954 -3.176) 6.505 9.821 ( -6.769 -8.375 -5.687) 12.178 9.821 ( -6.769 8.375 -5.687) 12.178 10.011 ( -2.467 -5.227 -0.317) 5.789 10.011 ( -2.467 5.227 -0.317) 5.789 10.972 ( 1.581 -3.382 -0.571) 3.777 10.972 ( 1.581 3.382 -0.571) 3.777 11.447 ( -1.286 -4.232 -0.763) 4.488 11.447 ( -1.286 4.232 -0.763) 4.488 11.588 ( -0.124 -1.027 -1.385) 1.729 11.588 ( -0.124 1.027 -1.385) 1.729 12.450 ( 0.483 -2.320 0.667) 2.462 12.450 ( 0.483 2.320 0.667) 2.462 12.591 ( 1.738 -3.137 -1.406) 3.852 12.591 ( 1.738 3.137 -1.406) 3.852 12.834 ( -0.095 -5.129 1.727) 5.413 12.834 ( -0.095 5.129 1.727) 5.413 13.135 ( 3.153 -1.651 2.729) 4.485 13.135 ( 3.153 1.651 2.729) 4.485 14.382 ( 2.553 -2.524 1.222) 3.793 14.382 ( 2.553 2.524 1.222) 3.793 14.650 ( -3.358 -6.670 1.617) 7.641 14.650 ( -3.358 6.670 1.617) 7.641 15.017 ( 1.232 -4.161 -0.649) 4.388 15.017 ( 1.232 4.161 -0.649) 4.388 15.098 ( -3.937 -2.320 -0.811) 4.641 15.098 ( -3.937 2.320 -0.811) 4.641 15.519 ( -1.114 -1.978 -1.015) 2.487 15.519 ( -1.114 1.978 -1.015) 2.487 16.096 ( 1.311 -1.900 -0.389) 2.341 16.096 ( 1.311 1.900 -0.389) 2.341 16.346 ( -2.522 -1.899 1.634) 3.555 16.346 ( -2.522 1.899 1.634) 3.555 16.468 ( 0.256 -1.276 -1.216) 1.781 16.468 ( 0.256 1.276 -1.216) 1.781 16.820 ( -1.042 -1.518 -3.323) 3.799 16.820 ( -1.042 1.518 -3.323) 3.799 17.213 ( 0.045 -3.071 -0.019) 3.071 17.213 ( 0.045 3.071 -0.019) 3.071 17.416 ( 0.583 -1.458 2.457) 2.916 17.416 ( 0.583 1.458 2.457) 2.916 17.715 ( -0.914 -3.389 0.701) 3.580 17.715 ( -0.914 3.389 0.701) 3.580 18.292 ( 2.364 -2.067 0.262) 3.151 18.292 ( 2.364 2.067 0.262) 3.151 18.438 ( 6.127 -2.861 -0.809) 6.811 18.438 ( 6.127 2.861 -0.809) 6.811 18.822 ( -1.460 -4.057 0.029) 4.312 18.822 ( -1.460 4.057 0.029) 4.312 19.031 ( -1.187 -0.557 0.428) 1.379 19.031 ( -1.187 0.557 0.428) 1.379 21.096 ( -0.519 -2.387 0.191) 2.450 21.096 ( -0.519 2.387 0.191) 2.450 21.250 ( -0.441 -5.714 0.291) 5.738 21.250 ( -0.441 5.714 0.291) 5.738 21.398 ( 1.630 -1.136 0.539) 2.059 21.398 ( 1.630 1.136 0.539) 2.059 21.554 ( -2.712 -1.176 -1.879) 3.503 21.554 ( -2.712 1.176 -1.879) 3.503 26.805 ( -0.636 -1.683 -0.231) 1.814 26.805 ( -0.636 1.683 -0.231) 1.814 26.927 ( 0.335 -0.792 0.526) 1.008 26.927 ( 0.335 0.792 0.526) 1.008 27.685 ( 0.612 -0.816 0.150) 1.030 27.685 ( 0.612 0.816 0.150) 1.030 27.739 ( 0.380 -0.403 -0.167) 0.578 27.739 ( 0.380 0.403 -0.167) 0.578 35.742 ( -0.407 -4.559 1.554) 4.834 35.742 ( -0.407 4.559 1.554) 4.834 36.153 ( 2.507 -4.009 3.256) 5.741 36.153 ( 2.507 4.009 3.256) 5.741 36.988 ( 1.162 -1.789 1.992) 2.918 36.988 ( 1.162 1.789 1.992) 2.918 37.516 ( -2.058 -0.562 -3.610) 4.193 37.516 ( -2.058 0.562 -3.610) 4.193 37.813 ( 4.696 -7.477 0.466) 8.842 37.813 ( 4.696 7.477 0.466) 8.842 38.125 ( 8.180 -3.780 -2.207) 9.277 38.125 ( 8.180 3.780 -2.207) 9.277 38.639 ( -4.290 -15.309 4.186) 16.441 38.639 ( -4.290 15.309 4.186) 16.441 39.769 ( -2.810 -6.917 -4.510) 8.723 39.769 ( -2.810 6.917 -4.510) 8.723 ======================= Grid point 34 (20/100) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 0.000 -7.269 0.000) 7.269 1.722 ( 0.000 7.269 0.000) 7.269 2.098 ( 0.000 -7.897 0.000) 7.897 2.098 ( 0.000 7.897 -0.000) 7.897 2.275 ( 0.000 -4.607 0.000) 4.607 2.275 ( 0.000 4.607 -0.000) 4.607 2.535 ( 0.000 -5.685 0.000) 5.685 2.535 ( -0.000 5.685 0.000) 5.685 2.895 ( 0.000 -0.296 0.000) 0.296 2.895 ( 0.000 0.296 0.000) 0.296 3.164 ( 0.000 -1.119 0.000) 1.119 3.164 ( 0.000 1.119 -0.000) 1.119 3.675 ( 0.000 -7.685 0.000) 7.685 3.675 ( 0.000 7.685 0.000) 7.685 3.993 ( 0.000 -1.034 0.000) 1.034 3.993 ( 0.000 1.034 0.000) 1.034 4.341 ( 0.000 -6.628 -0.000) 6.628 4.341 ( 0.000 6.628 0.000) 6.628 4.822 ( 0.000 -12.470 0.000) 12.470 4.822 ( 0.000 12.470 0.000) 12.470 5.036 ( 0.000 -16.296 0.000) 16.296 5.036 ( 0.000 16.296 -0.000) 16.296 5.268 ( 0.000 -7.718 0.000) 7.718 5.268 ( 0.000 7.718 0.000) 7.718 5.345 ( 0.000 -3.053 -0.000) 3.053 5.345 ( 0.000 3.053 0.000) 3.053 5.577 ( 0.000 -9.078 -0.000) 9.078 5.577 ( 0.000 9.078 0.000) 9.078 5.940 ( 0.000 -6.435 0.000) 6.435 5.940 ( -0.000 6.435 0.000) 6.435 6.039 ( 0.000 -2.655 -0.000) 2.655 6.039 ( 0.000 2.655 -0.000) 2.655 6.288 ( -0.000 -4.958 -0.000) 4.958 6.288 ( 0.000 4.958 0.000) 4.958 6.502 ( -0.000 -4.064 -0.000) 4.064 6.502 ( 0.000 4.064 0.000) 4.064 6.782 ( 0.000 -2.569 0.000) 2.569 6.782 ( 0.000 2.569 0.000) 2.569 7.154 ( 0.000 -4.477 0.000) 4.477 7.154 ( 0.000 4.477 0.000) 4.477 7.275 ( 0.000 -6.084 0.000) 6.084 7.275 ( -0.000 6.084 0.000) 6.084 7.479 ( 0.000 -7.427 0.000) 7.427 7.479 ( 0.000 7.427 -0.000) 7.427 7.787 ( 0.000 -5.943 0.000) 5.943 7.787 ( -0.000 5.943 0.000) 5.943 7.917 ( -0.000 -5.686 0.000) 5.686 7.917 ( 0.000 5.686 0.000) 5.686 8.203 ( 0.000 -1.301 0.000) 1.301 8.203 ( 0.000 1.301 -0.000) 1.301 8.366 ( 0.000 -3.582 0.000) 3.582 8.366 ( 0.000 3.582 0.000) 3.582 8.730 ( 0.000 -2.980 0.000) 2.980 8.730 ( -0.000 2.980 -0.000) 2.980 8.876 ( 0.000 -6.796 -0.000) 6.796 8.876 ( 0.000 6.796 -0.000) 6.796 9.128 ( 0.000 -2.999 -0.000) 2.999 9.128 ( -0.000 2.999 0.000) 2.999 9.217 ( 0.000 -4.668 0.000) 4.668 9.217 ( -0.000 4.668 -0.000) 4.668 9.398 ( 0.000 -1.736 0.000) 1.736 9.398 ( 0.000 1.736 0.000) 1.736 9.715 ( -0.000 -7.133 -0.000) 7.133 9.715 ( 0.000 7.133 0.000) 7.133 9.989 ( 0.000 -5.468 -0.000) 5.468 9.989 ( 0.000 5.468 0.000) 5.468 10.982 ( 0.000 -2.739 0.000) 2.739 10.982 ( 0.000 2.739 0.000) 2.739 11.428 ( 0.000 -4.049 0.000) 4.049 11.428 ( 0.000 4.049 0.000) 4.049 11.585 ( 0.000 -0.453 0.000) 0.453 11.585 ( 0.000 0.453 0.000) 0.453 12.457 ( 0.000 -2.846 0.000) 2.846 12.457 ( 0.000 2.846 0.000) 2.846 12.603 ( 0.000 -3.210 0.000) 3.210 12.603 ( 0.000 3.210 0.000) 3.210 12.841 ( 0.000 -5.203 0.000) 5.203 12.841 ( 0.000 5.203 0.000) 5.203 13.183 ( 0.000 -3.054 0.000) 3.054 13.183 ( 0.000 3.054 0.000) 3.054 14.414 ( 0.000 -2.759 0.000) 2.759 14.414 ( 0.000 2.759 0.000) 2.759 14.619 ( 0.000 -0.689 0.000) 0.689 14.619 ( 0.000 0.689 0.000) 0.689 15.033 ( 0.000 -6.483 0.000) 6.483 15.033 ( 0.000 6.483 -0.000) 6.483 15.055 ( 0.000 -0.267 0.000) 0.267 15.055 ( 0.000 0.267 -0.000) 0.267 15.499 ( 0.000 -2.255 0.000) 2.255 15.499 ( 0.000 2.255 0.000) 2.255 16.108 ( -0.000 -1.655 -0.000) 1.655 16.108 ( 0.000 1.655 -0.000) 1.655 16.323 ( 0.000 -1.141 -0.000) 1.141 16.323 ( 0.000 1.141 0.000) 1.141 16.464 ( 0.000 -0.959 0.000) 0.959 16.464 ( -0.000 0.959 0.000) 0.959 16.795 ( 0.000 -0.067 -0.000) 0.067 16.795 ( 0.000 0.067 0.000) 0.067 17.210 ( 0.000 -2.474 -0.000) 2.474 17.210 ( 0.000 2.474 0.000) 2.474 17.442 ( 0.000 -2.316 -0.000) 2.316 17.442 ( -0.000 2.316 0.000) 2.316 17.709 ( 0.000 -4.898 0.000) 4.898 17.709 ( 0.000 4.898 0.000) 4.898 18.315 ( 0.000 -0.844 0.000) 0.844 18.315 ( 0.000 0.844 0.000) 0.844 18.498 ( 0.000 -0.939 0.000) 0.939 18.498 ( 0.000 0.939 0.000) 0.939 18.804 ( 0.000 -4.416 -0.000) 4.416 18.804 ( 0.000 4.416 0.000) 4.416 19.022 ( 0.000 -0.821 -0.000) 0.821 19.022 ( 0.000 0.821 0.000) 0.821 21.092 ( 0.000 -1.546 0.000) 1.546 21.092 ( 0.000 1.546 0.000) 1.546 21.248 ( 0.000 -5.684 0.000) 5.684 21.248 ( 0.000 5.684 0.000) 5.684 21.422 ( -0.000 -2.354 0.000) 2.354 21.422 ( 0.000 2.354 -0.000) 2.354 21.512 ( 0.000 -0.105 0.000) 0.105 21.512 ( 0.000 0.105 0.000) 0.105 26.798 ( 0.000 -1.886 0.000) 1.886 26.798 ( 0.000 1.886 0.000) 1.886 26.933 ( 0.000 -0.758 0.000) 0.758 26.933 ( 0.000 0.758 0.000) 0.758 27.693 ( 0.000 -0.831 0.000) 0.831 27.693 ( 0.000 0.831 0.000) 0.831 27.742 ( 0.000 -0.036 0.000) 0.036 27.742 ( 0.000 0.036 0.000) 0.036 35.745 ( 0.000 -4.725 0.000) 4.725 35.745 ( 0.000 4.725 0.000) 4.725 36.198 ( -0.000 -4.301 0.000) 4.301 36.198 ( 0.000 4.301 0.000) 4.301 37.009 ( 0.000 -1.664 0.000) 1.664 37.009 ( 0.000 1.664 0.000) 1.664 37.472 ( 0.000 -0.419 0.000) 0.419 37.472 ( 0.000 0.419 0.000) 0.419 37.871 ( -0.000 -9.437 0.000) 9.437 37.871 ( 0.000 9.437 0.000) 9.437 38.198 ( 0.000 -5.832 0.000) 5.832 38.198 ( 0.000 5.832 0.000) 5.832 38.614 ( 0.000 -14.714 0.000) 14.714 38.614 ( 0.000 14.714 0.000) 14.714 39.715 ( 0.000 -10.236 0.000) 10.236 39.715 ( 0.000 10.236 -0.000) 10.236 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 1.975 0.000 27.420) 27.491 0.568 ( -4.987 0.000 30.107) 30.518 0.976 ( 4.865 0.000 50.477) 50.711 1.689 ( -0.412 0.000 -1.019) 1.099 1.814 ( 1.460 0.000 -2.034) 2.504 2.333 ( -0.757 0.000 -4.774) 4.833 2.487 ( 2.632 0.000 -3.626) 4.481 2.547 ( 1.222 0.000 5.477) 5.612 2.793 ( -5.137 0.000 3.539) 6.238 3.119 ( 1.510 0.000 -3.148) 3.491 3.284 ( -5.664 0.000 -5.857) 8.148 3.385 ( 1.521 0.000 -6.276) 6.458 3.667 ( -37.659 0.000 9.874) 38.932 3.713 ( 2.542 0.000 0.036) 2.542 3.941 ( -2.218 0.000 0.424) 2.258 4.154 ( -0.044 0.000 4.257) 4.257 4.455 ( -5.824 0.000 2.057) 6.177 4.561 ( 3.932 0.000 -1.466) 4.196 4.571 ( 0.445 0.000 0.814) 0.928 4.693 ( 3.656 0.000 1.612) 3.996 4.742 ( -2.516 0.000 8.361) 8.731 4.823 ( 13.918 0.000 6.476) 15.351 4.833 ( -10.811 0.000 3.211) 11.278 5.047 ( 8.615 0.000 5.717) 10.340 5.178 ( -13.794 0.000 -8.991) 16.466 5.361 ( 8.495 0.000 1.196) 8.578 5.491 ( 8.688 0.000 2.753) 9.114 5.493 ( -22.035 0.000 4.031) 22.400 5.714 ( 2.368 0.000 -0.484) 2.417 5.890 ( 20.599 0.000 6.503) 21.602 6.123 ( -5.590 0.000 12.194) 13.414 6.228 ( -4.089 0.000 9.509) 10.351 6.325 ( -5.452 0.000 0.979) 5.539 6.332 ( 1.043 0.000 0.888) 1.370 6.471 ( -4.461 0.000 -3.614) 5.741 6.624 ( -6.423 0.000 -4.846) 8.046 6.631 ( -1.669 0.000 -3.681) 4.042 6.746 ( -0.189 0.000 3.199) 3.204 6.811 ( 0.843 0.000 -12.906) 12.933 6.894 ( 6.624 0.000 -0.356) 6.634 7.017 ( -4.832 0.000 4.946) 6.915 7.036 ( -1.605 0.000 7.968) 8.128 7.353 ( -2.406 0.000 -1.224) 2.699 7.460 ( 0.788 0.000 8.898) 8.933 7.676 ( 4.859 0.000 -2.488) 5.459 7.808 ( -4.766 0.000 -7.950) 9.269 7.915 ( 0.473 0.000 -2.994) 3.031 8.104 ( 7.770 0.000 -4.595) 9.027 8.252 ( -4.889 0.000 -2.491) 5.487 8.267 ( -4.681 0.000 -6.112) 7.698 8.521 ( -4.357 0.000 -9.608) 10.549 8.544 ( 7.337 0.000 -2.480) 7.745 8.580 ( -3.126 0.000 8.811) 9.349 8.758 ( -1.025 0.000 7.154) 7.227 8.785 ( -4.046 0.000 -2.705) 4.867 8.935 ( 9.371 0.000 -1.387) 9.473 9.084 ( 9.341 0.000 -0.021) 9.341 9.171 ( 1.773 0.000 -8.597) 8.778 9.273 ( -1.138 0.000 -12.118) 12.171 9.469 ( 2.894 0.000 -2.904) 4.099 9.587 ( -0.433 0.000 0.499) 0.661 9.784 ( 0.326 0.000 1.386) 1.424 9.809 ( -3.169 0.000 4.859) 5.801 10.211 ( 2.964 0.000 -3.239) 4.390 10.412 ( -8.201 0.000 -7.516) 11.125 10.468 ( 1.443 0.000 -1.445) 2.042 10.651 ( 7.152 0.000 5.664) 9.123 11.138 ( 3.686 0.000 -1.925) 4.158 11.393 ( -59.344 0.000 -2.644) 59.402 11.479 ( -0.006 0.000 -2.581) 2.581 11.525 ( -5.906 0.000 2.503) 6.414 11.673 ( -0.819 0.000 -0.491) 0.955 12.400 ( -1.470 0.000 1.824) 2.343 12.523 ( -1.679 0.000 -2.263) 2.818 12.717 ( -6.133 0.000 -5.482) 8.226 12.754 ( 0.301 0.000 1.872) 1.896 12.797 ( 3.106 0.000 0.758) 3.197 12.968 ( 2.034 0.000 6.705) 7.007 13.038 ( 6.374 0.000 1.357) 6.517 13.580 ( -23.271 0.000 -4.626) 23.727 14.044 ( -1.146 0.000 1.967) 2.277 14.160 ( 2.741 0.000 1.845) 3.304 14.267 ( -0.120 0.000 -0.513) 0.527 14.301 ( 47.428 0.000 -0.215) 47.429 15.022 ( -0.038 0.000 0.854) 0.854 15.266 ( 0.624 0.000 -6.608) 6.637 15.493 ( 3.212 0.000 -3.746) 4.934 15.583 ( 1.991 0.000 2.727) 3.376 15.754 ( -2.652 0.000 7.146) 7.622 16.003 ( 2.645 0.000 -1.147) 2.883 16.022 ( -7.953 0.000 0.256) 7.957 16.091 ( -5.031 0.000 4.915) 7.033 16.315 ( -1.628 0.000 -0.945) 1.882 16.448 ( -1.944 0.000 -0.624) 2.042 16.490 ( -5.252 0.000 1.339) 5.420 16.687 ( 27.575 0.000 -4.203) 27.894 16.953 ( -1.749 0.000 -3.684) 4.078 16.958 ( 8.996 0.000 -2.056) 9.228 17.066 ( -0.795 0.000 0.688) 1.052 17.120 ( 4.577 0.000 6.447) 7.907 17.394 ( -1.573 0.000 -7.535) 7.698 17.416 ( 2.302 0.000 -3.070) 3.837 17.550 ( -2.202 0.000 3.271) 3.943 17.661 ( -10.426 0.000 5.054) 11.587 18.018 ( 0.307 0.000 -1.083) 1.126 18.148 ( 4.871 0.000 -3.678) 6.103 18.273 ( -0.617 0.000 1.019) 1.192 18.367 ( 1.016 0.000 -3.805) 3.939 18.743 ( -5.830 0.000 1.024) 5.920 18.892 ( 2.527 0.000 7.516) 7.930 18.961 ( -0.027 0.000 -0.750) 0.750 19.186 ( 2.039 0.000 0.599) 2.126 20.836 ( -0.183 0.000 0.139) 0.230 20.842 ( 0.131 0.000 0.159) 0.206 21.041 ( -0.986 0.000 -0.047) 0.987 21.116 ( -0.896 0.000 -1.298) 1.577 21.362 ( -0.622 0.000 1.331) 1.469 21.452 ( 0.132 0.000 -0.282) 0.311 21.565 ( 0.145 0.000 0.847) 0.859 21.650 ( -0.031 0.000 -0.574) 0.575 26.751 ( -0.497 0.000 1.115) 1.220 26.850 ( 0.481 0.000 -0.647) 0.807 26.889 ( 0.365 0.000 0.647) 0.743 26.955 ( -0.008 0.000 -0.439) 0.439 27.655 ( -0.243 0.000 -0.425) 0.490 27.664 ( -0.054 0.000 -0.720) 0.722 27.729 ( -0.177 0.000 0.662) 0.685 27.741 ( 0.131 0.000 0.215) 0.251 35.604 ( -0.992 0.000 2.550) 2.737 35.768 ( 1.910 0.000 -1.038) 2.174 36.121 ( 1.530 0.000 2.941) 3.315 36.184 ( 6.541 0.000 1.038) 6.623 37.106 ( -1.271 0.000 3.141) 3.388 37.349 ( -1.729 0.000 1.720) 2.438 37.605 ( 0.677 0.000 -4.132) 4.187 37.665 ( 4.907 0.000 -5.626) 7.465 37.717 ( 80.091 0.000 0.372) 80.091 37.764 ( -3.159 0.000 0.433) 3.189 37.952 ( -3.084 0.000 2.494) 3.966 38.124 ( -0.719 0.000 1.169) 1.372 38.689 (-113.691 0.000 1.435) 113.700 38.901 ( 9.481 0.000 -0.344) 9.487 39.807 ( 23.830 0.000 0.078) 23.831 40.064 ( -9.296 0.000 -3.927) 10.092 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 15.159 0.000 19.678) 24.840 1.025 ( 20.663 0.000 18.729) 27.888 1.611 ( 10.491 0.000 11.445) 15.526 1.825 ( 0.510 0.000 -0.919) 1.051 1.839 ( 19.549 0.000 15.240) 24.788 2.262 ( -0.645 0.000 -6.227) 6.260 2.524 ( 4.936 0.000 -2.490) 5.529 2.610 ( -0.177 0.000 6.676) 6.678 2.682 ( -9.458 0.000 3.398) 10.050 3.037 ( -6.133 0.000 -4.579) 7.654 3.138 ( -3.262 0.000 3.380) 4.698 3.335 ( -0.452 0.000 -7.126) 7.140 3.499 ( -6.834 0.000 11.676) 13.529 3.802 ( 5.665 0.000 1.712) 5.918 3.907 ( 1.476 0.000 -9.685) 9.797 4.191 ( -4.260 0.000 12.415) 13.125 4.356 ( -7.992 0.000 0.821) 8.034 4.459 ( -11.607 0.000 -4.626) 12.495 4.483 ( -7.417 0.000 1.509) 7.569 4.699 ( -10.384 0.000 10.059) 14.457 4.781 ( 4.961 0.000 -6.547) 8.214 4.910 ( -2.358 0.000 -3.655) 4.349 5.014 ( 12.924 0.000 9.186) 15.856 5.157 ( 4.311 0.000 13.504) 14.176 5.215 ( 7.069 0.000 4.192) 8.219 5.325 ( -6.270 0.000 14.151) 15.478 5.535 ( 13.229 0.000 -4.328) 13.919 5.728 ( 5.834 0.000 7.722) 9.678 5.802 ( 4.160 0.000 -1.703) 4.495 5.966 ( -7.860 0.000 0.888) 7.910 6.073 ( -3.009 0.000 2.162) 3.705 6.242 ( -1.966 0.000 4.708) 5.101 6.244 ( -2.574 0.000 -4.952) 5.581 6.317 ( -2.353 0.000 -6.861) 7.253 6.428 ( -5.930 0.000 -0.974) 6.009 6.592 ( 6.238 0.000 3.277) 7.047 6.602 ( 3.014 0.000 -2.196) 3.729 6.749 ( 7.988 0.000 -9.619) 12.504 6.887 ( 11.592 0.000 3.632) 12.148 6.937 ( 1.799 0.000 1.810) 2.552 7.079 ( 3.204 0.000 9.247) 9.787 7.138 ( 5.186 0.000 9.204) 10.564 7.385 ( -3.903 0.000 -8.434) 9.294 7.621 ( 5.587 0.000 8.371) 10.065 7.703 ( 7.459 0.000 -4.670) 8.801 7.769 ( 6.037 0.000 -1.046) 6.127 7.914 ( 2.417 0.000 -4.281) 4.916 8.072 ( -5.993 0.000 -8.774) 10.626 8.147 ( -1.788 0.000 -2.965) 3.462 8.166 ( 3.590 0.000 -2.330) 4.280 8.360 ( -6.913 0.000 -2.536) 7.363 8.504 ( -5.347 0.000 3.306) 6.286 8.615 ( -6.182 0.000 -1.126) 6.284 8.647 ( -5.403 0.000 -4.912) 7.302 8.889 ( -5.325 0.000 2.028) 5.698 8.906 ( 4.235 0.000 8.257) 9.280 9.028 ( 4.012 0.000 -15.127) 15.650 9.080 ( -2.945 0.000 -2.371) 3.780 9.177 ( -4.677 0.000 -5.074) 6.901 9.568 ( 1.305 0.000 -3.771) 3.990 9.625 ( -10.866 0.000 -10.099) 14.835 9.640 ( 8.126 0.000 -3.197) 8.733 9.825 ( -1.680 0.000 5.005) 5.280 10.178 ( -3.104 0.000 -0.338) 3.122 10.239 ( -5.867 0.000 1.788) 6.133 10.441 ( -4.249 0.000 -2.024) 4.707 10.719 ( -13.142 0.000 10.909) 17.079 10.774 ( 0.947 0.000 4.844) 4.936 11.302 ( 5.347 0.000 -2.758) 6.016 11.484 ( 2.725 0.000 -2.336) 3.589 11.512 ( -1.779 0.000 2.308) 2.914 11.653 ( -0.627 0.000 -0.755) 0.982 12.408 ( 0.680 0.000 0.842) 1.082 12.481 ( -0.233 0.000 -2.181) 2.193 12.607 ( -2.939 0.000 -1.490) 3.295 12.736 ( -3.505 0.000 2.165) 4.120 12.864 ( 4.693 0.000 -1.898) 5.062 13.147 ( 2.720 0.000 2.376) 3.612 13.168 ( 7.343 0.000 12.170) 14.214 13.260 ( -7.782 0.000 -3.366) 8.479 14.041 ( -0.653 0.000 0.790) 1.025 14.271 ( 0.552 0.000 0.551) 0.780 14.274 ( 7.564 0.000 1.161) 7.653 14.724 ( 15.201 0.000 -14.408) 20.944 15.048 ( 2.863 0.000 -1.161) 3.090 15.227 ( 1.457 0.000 -5.467) 5.658 15.498 ( 1.036 0.000 -1.324) 1.681 15.623 ( 1.067 0.000 -1.629) 1.948 15.651 ( -11.122 0.000 7.173) 13.235 15.922 ( -17.177 0.000 4.863) 17.852 15.947 ( -7.560 0.000 10.045) 12.572 15.981 ( -2.800 0.000 -1.125) 3.018 16.299 ( 3.127 0.000 -2.751) 4.165 16.377 ( -3.997 0.000 -1.782) 4.376 16.422 ( -2.473 0.000 -1.491) 2.888 16.686 ( -11.911 0.000 4.112) 12.601 16.914 ( 0.666 0.000 -2.288) 2.383 17.011 ( -5.348 0.000 3.529) 6.407 17.058 ( 1.153 0.000 -1.913) 2.234 17.123 ( 6.945 0.000 -4.879) 8.487 17.415 ( 0.075 0.000 -1.717) 1.718 17.473 ( 6.151 0.000 -5.509) 8.257 17.504 ( -5.081 0.000 2.657) 5.734 17.678 ( 3.488 0.000 2.911) 4.543 18.068 ( 6.640 0.000 -3.417) 7.468 18.189 ( 1.107 0.000 -1.072) 1.541 18.307 ( 2.002 0.000 2.627) 3.303 18.453 ( 8.884 0.000 -3.022) 9.384 18.643 ( -5.198 0.000 0.941) 5.283 18.923 ( -2.434 0.000 -1.908) 3.093 19.013 ( 2.681 0.000 5.858) 6.442 19.175 ( -2.292 0.000 0.715) 2.401 20.834 ( -0.169 0.000 0.101) 0.196 20.850 ( 0.470 0.000 0.205) 0.513 21.021 ( -0.847 0.000 -0.142) 0.858 21.164 ( 4.755 0.000 -3.136) 5.696 21.367 ( -0.540 0.000 1.536) 1.629 21.458 ( 0.845 0.000 -0.471) 0.967 21.570 ( -0.651 0.000 1.067) 1.250 21.619 ( -1.767 0.000 0.545) 1.849 26.746 ( -1.375 0.000 1.058) 1.735 26.852 ( 0.364 0.000 -0.658) 0.752 26.912 ( 1.082 0.000 0.887) 1.399 26.951 ( 0.268 0.000 -0.735) 0.782 27.644 ( -0.363 0.000 -0.450) 0.578 27.656 ( -0.008 0.000 -0.634) 0.634 27.736 ( 0.170 0.000 0.624) 0.646 27.761 ( 1.655 0.000 0.222) 1.670 35.601 ( -1.707 0.000 1.957) 2.597 35.809 ( 2.776 0.000 -0.041) 2.776 36.155 ( -4.996 0.000 1.935) 5.357 36.182 ( 1.187 0.000 2.930) 3.161 37.112 ( -1.927 0.000 3.330) 3.847 37.332 ( -6.395 0.000 4.582) 7.867 37.378 ( -24.758 0.000 15.170) 29.036 37.539 ( -5.368 0.000 -5.057) 7.375 37.559 ( -3.969 0.000 -3.688) 5.418 37.785 ( 7.212 0.000 -8.037) 10.798 38.069 ( 8.184 0.000 7.897) 11.373 38.147 ( -6.193 0.000 6.007) 8.628 38.932 ( 37.001 0.000 -25.307) 44.828 39.112 ( 6.899 0.000 9.227) 11.521 39.797 ( -8.762 0.000 -12.899) 15.594 40.337 ( 32.148 0.000 -11.475) 34.134 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 12.461 0.000 12.100) 17.369 1.538 ( 17.843 0.000 8.916) 19.946 1.750 ( 7.655 0.000 -4.756) 9.012 1.775 ( -5.333 0.000 -1.332) 5.497 2.165 ( -4.280 0.000 -4.690) 6.349 2.199 ( 1.157 0.000 -7.258) 7.350 2.587 ( 4.563 0.000 -4.625) 6.497 2.682 ( -0.950 0.000 7.683) 7.741 2.742 ( 9.793 0.000 19.290) 21.634 2.850 ( -5.948 0.000 -5.436) 8.058 3.127 ( -1.894 0.000 -4.098) 4.515 3.246 ( -0.812 0.000 -6.012) 6.066 3.544 ( -1.002 0.000 16.615) 16.645 3.776 ( -5.441 0.000 -6.994) 8.861 3.931 ( 4.835 0.000 2.319) 5.362 4.117 ( -12.981 0.000 -2.167) 13.161 4.173 ( -6.652 0.000 -2.016) 6.951 4.264 ( -3.636 0.000 10.028) 10.667 4.382 ( -9.414 0.000 2.527) 9.747 4.526 ( -14.469 0.000 6.406) 15.824 4.707 ( 5.121 0.000 -12.649) 13.647 4.975 ( 6.980 0.000 -8.489) 10.990 5.279 ( -3.924 0.000 -2.639) 4.729 5.305 ( 1.945 0.000 12.316) 12.468 5.398 ( 16.089 0.000 5.126) 16.886 5.422 ( 0.800 0.000 8.268) 8.307 5.522 ( -10.767 0.000 -12.936) 16.831 5.804 ( 6.992 0.000 -4.418) 8.271 5.825 ( -5.979 0.000 -0.036) 5.979 5.845 ( -2.401 0.000 9.001) 9.316 6.087 ( -6.644 0.000 -5.137) 8.399 6.140 ( 6.731 0.000 -0.748) 6.772 6.279 ( 8.511 0.000 1.087) 8.580 6.288 ( -6.886 0.000 1.489) 7.045 6.384 ( 3.122 0.000 12.987) 13.357 6.604 ( -1.722 0.000 0.235) 1.738 6.668 ( -2.592 0.000 5.866) 6.414 6.978 ( 11.657 0.000 -2.236) 11.869 7.045 ( 8.288 0.000 -1.724) 8.465 7.092 ( 1.877 0.000 -3.056) 3.586 7.183 ( 2.305 0.000 6.813) 7.192 7.323 ( 4.805 0.000 3.111) 5.724 7.358 ( 8.658 0.000 11.280) 14.220 7.638 ( -8.044 0.000 -3.817) 8.903 7.725 ( -2.839 0.000 3.736) 4.692 7.922 ( 11.567 0.000 1.732) 11.696 7.968 ( 5.485 0.000 -0.432) 5.502 8.074 ( 9.217 0.000 -6.324) 11.177 8.114 ( -2.082 0.000 -5.069) 5.480 8.225 ( 0.682 0.000 -0.392) 0.787 8.258 ( -1.384 0.000 -1.693) 2.187 8.374 ( -5.153 0.000 -2.126) 5.574 8.442 ( -5.290 0.000 3.754) 6.486 8.539 ( 1.153 0.000 -3.473) 3.659 8.793 ( -13.153 0.000 -13.652) 18.957 8.868 ( 1.637 0.000 -1.711) 2.368 9.001 ( -1.114 0.000 -4.283) 4.425 9.040 ( 1.590 0.000 -1.811) 2.410 9.199 ( 12.760 0.000 1.435) 12.840 9.355 ( -9.112 0.000 -3.207) 9.660 9.431 ( -10.035 0.000 0.111) 10.036 9.767 ( 4.882 0.000 -0.068) 4.883 9.800 ( -6.561 0.000 4.724) 8.084 10.107 ( -4.983 0.000 -0.210) 4.987 10.181 ( -3.740 0.000 2.592) 4.551 10.329 ( -2.653 0.000 -2.949) 3.967 10.691 ( -0.780 0.000 2.231) 2.363 10.799 ( -2.101 0.000 3.002) 3.665 11.376 ( 4.182 0.000 0.906) 4.279 11.499 ( -1.913 0.000 2.536) 3.177 11.540 ( 3.220 0.000 2.650) 4.170 11.643 ( -0.109 0.000 0.783) 0.791 12.434 ( 1.387 0.000 0.324) 1.425 12.477 ( 1.429 0.000 -0.974) 1.729 12.567 ( -1.598 0.000 1.587) 2.252 12.686 ( -3.821 0.000 2.203) 4.411 12.928 ( 4.515 0.000 -3.124) 5.490 13.120 ( -1.644 0.000 -4.759) 5.035 13.215 ( 1.363 0.000 -1.077) 1.737 13.368 ( 1.684 0.000 5.977) 6.210 14.038 ( 0.683 0.000 -1.373) 1.534 14.290 ( -0.596 0.000 2.887) 2.948 14.432 ( 9.626 0.000 -3.417) 10.215 14.773 ( 3.739 0.000 -8.740) 9.506 15.083 ( 3.710 0.000 -5.653) 6.762 15.215 ( 2.280 0.000 -3.768) 4.404 15.487 ( -9.720 0.000 8.731) 13.066 15.525 ( -1.525 0.000 -0.347) 1.564 15.538 ( -7.185 0.000 -3.707) 8.085 15.690 ( -6.528 0.000 -0.065) 6.528 15.931 ( -1.890 0.000 1.259) 2.271 15.936 ( -5.206 0.000 10.953) 12.127 16.294 ( -2.398 0.000 -0.779) 2.522 16.360 ( -1.830 0.000 -2.216) 2.874 16.371 ( 5.704 0.000 -0.403) 5.718 16.507 ( -10.231 0.000 4.376) 11.128 16.931 ( 2.030 0.000 -0.142) 2.035 16.974 ( -1.332 0.000 0.576) 1.451 17.082 ( 3.741 0.000 -2.355) 4.420 17.167 ( 3.264 0.000 -6.533) 7.303 17.387 ( -3.448 0.000 1.530) 3.772 17.431 ( -3.719 0.000 0.742) 3.793 17.537 ( 3.551 0.000 0.222) 3.558 17.743 ( 2.685 0.000 -1.370) 3.014 18.181 ( -2.006 0.000 2.395) 3.124 18.182 ( 8.390 0.000 -3.606) 9.133 18.361 ( 0.038 0.000 3.305) 3.305 18.580 ( 3.800 0.000 2.116) 4.350 18.581 ( -1.415 0.000 -0.777) 1.614 18.847 ( -1.169 0.000 -5.062) 5.195 19.085 ( 0.325 0.000 2.616) 2.636 19.134 ( -2.101 0.000 -0.415) 2.141 20.833 ( -0.097 0.000 0.170) 0.195 20.860 ( 0.381 0.000 0.006) 0.381 21.012 ( -0.394 0.000 0.789) 0.882 21.211 ( 3.427 0.000 -2.836) 4.449 21.371 ( -0.819 0.000 1.977) 2.140 21.472 ( 1.188 0.000 -0.628) 1.344 21.561 ( -1.287 0.000 0.746) 1.488 21.598 ( -0.885 0.000 -0.113) 0.892 26.726 ( -1.616 0.000 1.015) 1.908 26.851 ( 0.405 0.000 -0.914) 1.000 26.937 ( 0.633 0.000 0.466) 0.786 26.951 ( 0.518 0.000 -0.784) 0.940 27.636 ( -0.111 0.000 -0.099) 0.148 27.654 ( 0.216 0.000 -0.279) 0.353 27.745 ( -0.017 0.000 0.649) 0.649 27.795 ( 1.523 0.000 -0.007) 1.523 35.583 ( -1.620 0.000 1.089) 1.952 35.853 ( 1.884 0.000 -1.153) 2.208 36.088 ( -3.808 0.000 1.193) 3.991 36.200 ( -0.677 0.000 -0.345) 0.760 37.069 ( -6.660 0.000 4.551) 8.066 37.184 ( -7.444 0.000 8.840) 11.557 37.351 ( -0.031 0.000 1.650) 1.651 37.419 ( -0.625 0.000 -3.766) 3.818 37.473 ( -1.668 0.000 -4.205) 4.524 37.832 ( 5.663 0.000 -7.251) 9.200 38.097 ( -4.115 0.000 3.875) 5.653 38.328 ( 9.289 0.000 7.580) 11.990 39.164 ( -12.144 0.000 2.007) 12.309 39.191 ( 15.553 0.000 -13.846) 20.823 39.669 ( 7.271 0.000 -0.240) 7.275 40.715 ( 18.361 0.000 -5.762) 19.244 ======================= Grid point 66 (24/100) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -14.015 0.000 -0.870) 14.042 1.658 ( -15.756 0.000 -4.034) 16.264 1.733 ( 4.518 0.000 3.631) 5.796 1.836 ( 3.921 0.000 -1.688) 4.269 2.037 ( 10.641 0.000 -7.953) 13.284 2.177 ( 4.661 0.000 -7.823) 9.106 2.600 ( -7.800 0.000 0.372) 7.809 2.615 ( -1.297 0.000 -0.303) 1.332 2.775 ( -19.535 0.000 -5.119) 20.195 2.860 ( 5.224 0.000 1.824) 5.534 3.147 ( 7.617 0.000 2.457) 8.004 3.233 ( 4.210 0.000 -2.871) 5.096 3.518 ( -5.052 0.000 7.129) 8.738 3.963 ( 0.278 0.000 1.417) 1.444 3.977 ( 11.754 0.000 16.053) 19.896 3.980 ( -2.185 0.000 1.902) 2.897 4.091 ( -0.977 0.000 -5.000) 5.095 4.257 ( -5.282 0.000 3.607) 6.396 4.281 ( 1.307 0.000 2.171) 2.534 4.379 ( -6.043 0.000 8.073) 10.084 4.707 ( 5.932 0.000 -14.621) 15.779 4.959 ( 1.291 0.000 -7.664) 7.772 4.998 ( -13.691 0.000 -16.793) 21.667 5.163 ( -10.690 0.000 -10.300) 14.845 5.302 ( -6.783 0.000 -7.501) 10.113 5.519 ( 8.851 0.000 6.692) 11.096 5.683 ( -10.262 0.000 6.737) 12.276 5.791 ( 11.592 0.000 5.426) 12.799 5.803 ( -1.455 0.000 -5.755) 5.936 5.867 ( -1.945 0.000 5.135) 5.491 5.996 ( -0.072 0.000 -3.149) 3.149 6.226 ( -4.011 0.000 7.508) 8.512 6.275 ( 5.701 0.000 -0.741) 5.749 6.417 ( 0.323 0.000 3.327) 3.343 6.575 ( 4.191 0.000 8.220) 9.227 6.668 ( 2.885 0.000 9.520) 9.948 6.736 ( 1.879 0.000 15.845) 15.956 7.008 ( -5.063 0.000 -11.529) 12.592 7.068 ( 1.182 0.000 -3.789) 3.969 7.074 ( -1.646 0.000 -5.360) 5.607 7.237 ( -2.627 0.000 10.279) 10.610 7.370 ( -17.627 0.000 -2.621) 17.821 7.432 ( 4.476 0.000 8.667) 9.755 7.631 ( 4.916 0.000 1.982) 5.300 7.684 ( -0.256 0.000 1.681) 1.701 7.970 ( -1.325 0.000 -4.812) 4.991 7.973 ( -0.502 0.000 -6.279) 6.299 8.071 ( -3.353 0.000 -9.174) 9.768 8.153 ( 4.137 0.000 -5.764) 7.095 8.220 ( -5.689 0.000 -4.725) 7.395 8.250 ( 1.756 0.000 2.180) 2.799 8.317 ( 10.327 0.000 12.387) 16.127 8.427 ( -4.768 0.000 -0.920) 4.856 8.581 ( 1.616 0.000 -5.222) 5.467 8.771 ( 18.673 0.000 5.996) 19.612 8.866 ( -0.170 0.000 -2.183) 2.190 9.059 ( 8.841 0.000 4.091) 9.741 9.062 ( -0.974 0.000 -2.903) 3.062 9.196 ( -0.605 0.000 -2.406) 2.481 9.282 ( -4.730 0.000 1.545) 4.976 9.438 ( 4.816 0.000 4.390) 6.516 9.729 ( -2.568 0.000 5.998) 6.524 9.809 ( -0.216 0.000 -0.532) 0.574 10.001 ( -1.839 0.000 -5.501) 5.801 10.129 ( -3.029 0.000 -0.252) 3.040 10.310 ( 2.138 0.000 -1.283) 2.494 10.693 ( -0.312 0.000 0.687) 0.755 10.764 ( -2.692 0.000 -0.206) 2.700 11.492 ( 3.193 0.000 7.893) 8.514 11.495 ( -0.758 0.000 3.562) 3.642 11.629 ( 1.838 0.000 3.420) 3.883 11.669 ( -1.236 0.000 6.853) 6.963 12.463 ( 0.347 0.000 1.591) 1.629 12.512 ( 2.036 0.000 1.179) 2.352 12.572 ( -0.024 0.000 2.642) 2.642 12.645 ( -2.125 0.000 1.159) 2.420 12.960 ( 1.669 0.000 -3.107) 3.527 13.050 ( 0.358 0.000 -7.874) 7.882 13.207 ( 0.015 0.000 -3.212) 3.212 13.284 ( -8.708 0.000 -7.897) 11.755 14.043 ( 1.488 0.000 -1.465) 2.088 14.293 ( -2.679 0.000 3.881) 4.715 14.503 ( 2.505 0.000 -10.158) 10.462 14.764 ( 2.455 0.000 -0.306) 2.474 15.065 ( 1.064 0.000 -7.208) 7.286 15.262 ( 5.416 0.000 -0.518) 5.441 15.384 ( -5.434 0.000 2.228) 5.873 15.448 ( -0.410 0.000 0.756) 0.860 15.539 ( 1.556 0.000 0.635) 1.681 15.617 ( 0.612 0.000 -4.315) 4.358 15.931 ( -5.909 0.000 9.582) 11.257 15.937 ( 0.495 0.000 2.407) 2.457 16.301 ( 1.786 0.000 2.605) 3.158 16.327 ( 0.274 0.000 -1.341) 1.369 16.409 ( -3.952 0.000 3.290) 5.142 16.486 ( 4.498 0.000 3.185) 5.511 16.958 ( -0.377 0.000 -1.037) 1.104 16.965 ( 0.818 0.000 0.892) 1.210 17.127 ( 0.564 0.000 -8.468) 8.487 17.163 ( 6.560 0.000 -0.500) 6.579 17.303 ( -7.272 0.000 3.130) 7.917 17.401 ( 0.341 0.000 -1.378) 1.420 17.583 ( -1.062 0.000 3.245) 3.414 17.762 ( 3.137 0.000 -5.468) 6.304 18.178 ( -1.761 0.000 4.273) 4.622 18.282 ( 4.426 0.000 -2.371) 5.021 18.364 ( -2.600 0.000 2.341) 3.498 18.575 ( 1.592 0.000 -0.770) 1.769 18.582 ( -6.323 0.000 4.181) 7.580 18.829 ( 4.548 0.000 -5.679) 7.276 19.073 ( -2.596 0.000 -0.344) 2.619 19.101 ( 0.300 0.000 -1.969) 1.992 20.834 ( -0.039 0.000 0.271) 0.274 20.861 ( -0.110 0.000 -0.244) 0.267 21.021 ( -0.010 0.000 1.804) 1.804 21.239 ( 2.395 0.000 -2.391) 3.385 21.375 ( -1.008 0.000 2.580) 2.770 21.486 ( 0.683 0.000 -0.496) 0.844 21.541 ( -0.968 0.000 0.084) 0.971 21.579 ( -0.575 0.000 -0.992) 1.147 26.713 ( -0.643 0.000 0.914) 1.117 26.849 ( 0.434 0.000 -1.194) 1.270 26.939 ( -0.570 0.000 -0.199) 0.604 26.955 ( 0.515 0.000 -0.546) 0.750 27.639 ( 0.281 0.000 0.311) 0.419 27.659 ( 0.406 0.000 0.030) 0.407 27.746 ( -0.529 0.000 0.649) 0.838 27.809 ( -0.047 0.000 -0.277) 0.281 35.568 ( -0.787 0.000 0.730) 1.073 35.842 ( -0.468 0.000 -3.578) 3.609 36.031 ( -2.630 0.000 -0.966) 2.802 36.165 ( -0.905 0.000 -3.089) 3.219 36.989 ( -5.912 0.000 3.468) 6.854 37.152 ( -3.743 0.000 4.550) 5.891 37.369 ( -0.416 0.000 2.436) 2.472 37.435 ( 1.477 0.000 -1.633) 2.202 37.444 ( 4.866 0.000 -1.637) 5.134 37.853 ( 3.982 0.000 -7.268) 8.287 38.076 ( -1.870 0.000 3.513) 3.979 38.474 ( -4.010 0.000 7.217) 8.256 38.882 ( -6.748 0.000 -11.264) 13.130 39.314 ( 9.280 0.000 -7.371) 11.851 39.912 ( 5.987 0.000 16.188) 17.260 40.954 ( 10.428 0.000 1.028) 10.479 ======================= Grid point 67 (25/100) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -24.826 0.000 -1.480) 24.870 1.150 ( -27.984 0.000 -6.930) 28.829 1.815 ( 1.134 0.000 0.606) 1.285 1.827 ( -8.789 0.000 4.021) 9.665 1.993 ( -28.116 0.000 -10.192) 29.906 2.236 ( 8.967 0.000 -6.466) 11.055 2.286 ( 2.683 0.000 -1.576) 3.111 2.496 ( -4.581 0.000 2.344) 5.146 2.723 ( 4.205 0.000 2.082) 4.692 2.982 ( 6.710 0.000 -1.025) 6.788 3.245 ( 3.958 0.000 1.158) 4.124 3.320 ( 6.297 0.000 -1.768) 6.541 3.699 ( 6.778 0.000 23.504) 24.462 3.854 ( -7.166 0.000 -3.149) 7.827 3.928 ( 0.384 0.000 -3.806) 3.825 4.141 ( 8.551 0.000 -2.810) 9.001 4.161 ( 1.714 0.000 0.732) 1.863 4.334 ( 0.999 0.000 -2.415) 2.613 4.428 ( 8.977 0.000 4.469) 10.027 4.506 ( 2.902 0.000 1.756) 3.392 4.620 ( 0.397 0.000 -11.956) 11.962 4.645 ( -1.562 0.000 6.924) 7.098 4.920 ( -0.584 0.000 -5.077) 5.110 4.959 ( -2.799 0.000 -3.157) 4.219 5.123 ( -5.078 0.000 -2.507) 5.664 5.467 ( -15.166 0.000 2.873) 15.436 5.660 ( -4.451 0.000 -6.204) 7.635 5.729 ( 2.502 0.000 -0.625) 2.579 5.855 ( -1.585 0.000 3.945) 4.252 5.922 ( 2.673 0.000 -0.531) 2.725 6.111 ( 8.385 0.000 -1.255) 8.478 6.154 ( -12.497 0.000 -6.453) 14.065 6.279 ( -1.777 0.000 13.659) 13.774 6.492 ( -0.792 0.000 9.031) 9.066 6.674 ( 2.240 0.000 0.944) 2.431 6.740 ( -3.957 0.000 -9.748) 10.521 6.761 ( -2.763 0.000 3.892) 4.773 6.899 ( -8.936 0.000 10.528) 13.810 6.900 ( -4.882 0.000 0.216) 4.887 6.990 ( -4.775 0.000 -5.508) 7.290 7.110 ( -1.211 0.000 8.072) 8.163 7.302 ( -14.945 0.000 0.968) 14.976 7.564 ( 10.773 0.000 12.495) 16.498 7.592 ( -9.176 0.000 -1.707) 9.333 7.840 ( -7.434 0.000 -6.622) 9.956 7.860 ( 2.376 0.000 -0.298) 2.395 7.919 ( 7.277 0.000 1.375) 7.406 7.967 ( 5.649 0.000 -11.568) 12.874 8.135 ( 2.242 0.000 -3.758) 4.377 8.154 ( 3.110 0.000 -0.964) 3.256 8.323 ( 3.348 0.000 0.009) 3.348 8.396 ( -0.858 0.000 0.273) 0.900 8.515 ( -3.175 0.000 2.573) 4.086 8.631 ( 8.733 0.000 7.600) 11.577 8.849 ( -0.556 0.000 -0.237) 0.604 8.902 ( -7.972 0.000 -2.167) 8.261 9.069 ( 6.298 0.000 -1.953) 6.594 9.150 ( -2.083 0.000 -0.560) 2.157 9.328 ( 9.096 0.000 -2.367) 9.399 9.406 ( 12.233 0.000 1.646) 12.344 9.517 ( 4.766 0.000 7.227) 8.657 9.732 ( -5.023 0.000 -5.026) 7.106 9.826 ( 2.105 0.000 5.241) 5.648 9.990 ( 6.806 0.000 -5.324) 8.641 10.113 ( 4.169 0.000 0.496) 4.199 10.368 ( 4.458 0.000 0.103) 4.459 10.713 ( -0.133 0.000 5.962) 5.963 10.713 ( -1.486 0.000 -1.919) 2.427 11.504 ( -0.745 0.000 2.686) 2.787 11.647 ( -2.594 0.000 0.530) 2.648 11.697 ( -3.002 0.000 6.386) 7.057 11.704 ( 3.972 0.000 23.090) 23.429 12.460 ( -2.717 0.000 2.420) 3.638 12.560 ( 0.000 0.000 3.768) 3.768 12.618 ( 1.862 0.000 2.182) 2.868 12.645 ( 2.165 0.000 -0.463) 2.214 12.895 ( -4.622 0.000 -7.636) 8.926 12.980 ( 1.160 0.000 -8.748) 8.825 13.039 ( -5.285 0.000 -5.792) 7.841 13.155 ( -0.367 0.000 -7.414) 7.423 14.057 ( -0.080 0.000 0.673) 0.678 14.279 ( -2.028 0.000 3.095) 3.700 14.354 ( -6.868 0.000 -7.255) 9.990 14.844 ( 6.532 0.000 -6.383) 9.133 14.991 ( -0.750 0.000 -7.598) 7.635 15.309 ( -3.872 0.000 0.182) 3.876 15.369 ( 1.279 0.000 4.110) 4.304 15.443 ( 4.552 0.000 -9.372) 10.419 15.590 ( 4.323 0.000 -3.318) 5.449 15.692 ( 8.380 0.000 2.538) 8.756 15.939 ( -3.086 0.000 12.347) 12.727 15.990 ( 2.292 0.000 2.631) 3.490 16.336 ( 0.987 0.000 -0.095) 0.992 16.349 ( 1.325 0.000 -1.008) 1.665 16.430 ( 1.691 0.000 2.987) 3.432 16.570 ( -0.684 0.000 5.595) 5.637 16.935 ( 0.263 0.000 -3.779) 3.788 16.993 ( 1.095 0.000 2.494) 2.724 17.045 ( -1.548 0.000 -4.678) 4.927 17.181 ( -6.905 0.000 0.495) 6.923 17.311 ( 6.879 0.000 1.843) 7.122 17.410 ( 3.086 0.000 -2.625) 4.052 17.561 ( -3.165 0.000 1.381) 3.453 17.761 ( 3.259 0.000 -6.960) 7.685 18.175 ( -1.859 0.000 0.633) 1.964 18.266 ( -4.661 0.000 -0.811) 4.731 18.325 ( -3.476 0.000 2.642) 4.366 18.499 ( -4.228 0.000 1.131) 4.376 18.628 ( 3.629 0.000 1.732) 4.021 18.869 ( 3.075 0.000 -1.035) 3.244 18.993 ( -4.984 0.000 -0.890) 5.063 19.110 ( 3.079 0.000 -3.570) 4.714 20.836 ( -0.045 0.000 0.302) 0.305 20.853 ( -0.455 0.000 -0.265) 0.527 21.041 ( -0.026 0.000 1.964) 1.964 21.255 ( 1.860 0.000 -2.624) 3.216 21.383 ( -1.152 0.000 3.024) 3.236 21.480 ( -0.855 0.000 -0.307) 0.908 21.537 ( 0.597 0.000 -0.216) 0.635 21.559 ( -0.368 0.000 -1.063) 1.124 26.721 ( 0.553 0.000 0.941) 1.091 26.846 ( 0.534 0.000 -1.170) 1.286 26.916 ( -1.307 0.000 -0.478) 1.392 26.958 ( 0.265 0.000 -0.284) 0.388 27.650 ( 0.415 0.000 0.402) 0.578 27.667 ( 0.375 0.000 -0.037) 0.377 27.739 ( -0.841 0.000 0.688) 1.087 27.789 ( -1.550 0.000 -0.385) 1.597 35.570 ( 0.017 0.000 1.197) 1.197 35.791 ( -0.566 0.000 -3.768) 3.811 35.966 ( -2.394 0.000 -3.033) 3.864 36.116 ( -0.822 0.000 -3.071) 3.179 36.911 ( -5.538 0.000 2.569) 6.105 37.126 ( -2.859 0.000 3.005) 4.148 37.377 ( -1.563 0.000 2.827) 3.231 37.485 ( 4.587 0.000 -0.283) 4.596 37.542 ( 5.691 0.000 -0.777) 5.744 37.833 ( 2.401 0.000 -9.238) 9.545 38.094 ( -0.186 0.000 3.891) 3.895 38.314 ( -17.310 0.000 9.221) 19.613 38.779 ( 5.295 0.000 -12.599) 13.666 39.411 ( 6.833 0.000 -3.196) 7.544 40.130 ( -0.039 0.000 15.471) 15.471 41.136 ( 7.704 0.000 0.081) 7.704 ======================= Grid point 68 (26/100) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( -26.528 0.000 9.678) 28.239 0.612 ( -25.998 0.000 12.737) 28.950 1.149 ( -49.586 0.000 17.153) 52.469 1.759 ( -6.077 0.000 0.819) 6.132 1.816 ( 0.580 0.000 -2.073) 2.152 2.343 ( 5.976 0.000 -4.698) 7.602 2.411 ( 9.864 0.000 -5.637) 11.361 2.475 ( -0.828 0.000 4.988) 5.056 2.804 ( 0.226 0.000 3.751) 3.758 3.076 ( 5.596 0.000 -3.435) 6.566 3.310 ( 3.169 0.000 -2.679) 4.150 3.394 ( 3.600 0.000 -3.727) 5.181 3.726 ( -2.814 0.000 -2.618) 3.844 3.928 ( 1.122 0.000 0.577) 1.262 4.103 ( 4.650 0.000 7.312) 8.665 4.190 ( -5.185 0.000 -11.264) 12.400 4.330 ( 12.224 0.000 2.588) 12.495 4.381 ( 14.371 0.000 17.334) 22.517 4.491 ( 13.516 0.000 7.722) 15.566 4.551 ( 1.849 0.000 -4.813) 5.156 4.622 ( 4.531 0.000 3.778) 5.899 4.765 ( -5.850 0.000 -6.077) 8.435 4.806 ( 0.292 0.000 -5.003) 5.012 5.081 ( 11.626 0.000 5.718) 12.956 5.192 ( -13.252 0.000 9.003) 16.021 5.265 ( 3.770 0.000 24.073) 24.366 5.435 ( -6.941 0.000 -10.463) 12.556 5.619 ( -10.545 0.000 0.391) 10.552 5.801 ( -11.194 0.000 -9.022) 14.377 5.924 ( 1.070 0.000 -13.188) 13.232 6.005 ( 4.923 0.000 8.826) 10.106 6.188 ( -0.865 0.000 5.643) 5.709 6.342 ( -2.884 0.000 5.434) 6.152 6.495 ( -14.182 0.000 10.607) 17.710 6.678 ( -1.536 0.000 -0.361) 1.578 6.700 ( 4.967 0.000 4.886) 6.967 6.705 ( -2.389 0.000 -0.411) 2.424 6.761 ( -4.356 0.000 -2.420) 4.984 6.865 ( -7.906 0.000 -6.616) 10.309 6.913 ( 2.091 0.000 -10.212) 10.424 7.004 ( -9.454 0.000 2.404) 9.755 7.165 ( -6.692 0.000 1.236) 6.805 7.430 ( -6.832 0.000 7.753) 10.333 7.633 ( -8.724 0.000 -10.895) 13.957 7.684 ( -1.969 0.000 -5.937) 6.255 7.854 ( 2.997 0.000 1.224) 3.237 7.952 ( -2.383 0.000 -0.509) 2.437 7.994 ( 9.194 0.000 -9.391) 13.142 8.302 ( 11.260 0.000 1.847) 11.411 8.309 ( -0.681 0.000 4.044) 4.101 8.367 ( -1.295 0.000 -2.242) 2.589 8.428 ( 14.529 0.000 14.247) 20.349 8.607 ( 4.932 0.000 5.059) 7.065 8.700 ( -8.941 0.000 0.083) 8.941 8.763 ( -2.243 0.000 3.516) 4.171 8.818 ( 1.379 0.000 -6.027) 6.183 9.054 ( -1.589 0.000 -9.978) 10.104 9.138 ( 6.235 0.000 -5.792) 8.510 9.380 ( 1.956 0.000 -6.237) 6.536 9.537 ( -1.493 0.000 -6.320) 6.494 9.608 ( -1.318 0.000 3.671) 3.900 9.686 ( 5.323 0.000 3.797) 6.539 9.840 ( -4.015 0.000 4.021) 5.682 10.118 ( 9.772 0.000 -3.973) 10.549 10.344 ( 14.335 0.000 4.779) 15.110 10.447 ( 3.171 0.000 -1.199) 3.390 10.641 ( -4.186 0.000 -4.465) 6.121 10.867 ( 8.094 0.000 13.951) 16.129 11.513 ( -0.801 0.000 2.081) 2.230 11.551 ( -5.362 0.000 -1.362) 5.532 11.692 ( -1.214 0.000 0.795) 1.451 12.202 ( 15.527 0.000 28.659) 32.595 12.425 ( -2.793 0.000 3.326) 4.343 12.570 ( -1.824 0.000 0.922) 2.044 12.680 ( 7.949 0.000 14.877) 16.868 12.704 ( 3.701 0.000 -0.156) 3.704 12.760 ( -1.021 0.000 -2.342) 2.555 12.957 ( -2.799 0.000 0.769) 2.903 12.969 ( 2.340 0.000 -4.039) 4.668 13.013 ( -3.251 0.000 -8.299) 8.914 14.051 ( -1.433 0.000 1.640) 2.178 14.176 ( -4.950 0.000 -4.270) 6.537 14.276 ( -0.847 0.000 1.150) 1.428 14.600 ( -16.743 0.000 -35.235) 39.011 15.004 ( 1.709 0.000 2.466) 3.001 15.324 ( 4.943 0.000 9.332) 10.560 15.330 ( -0.600 0.000 -6.519) 6.547 15.508 ( 3.335 0.000 2.278) 4.039 15.616 ( 3.019 0.000 -2.489) 3.913 15.892 ( 9.160 0.000 0.769) 9.192 16.063 ( 2.174 0.000 3.102) 3.788 16.091 ( 6.613 0.000 14.740) 16.156 16.280 ( -4.988 0.000 -11.163) 12.227 16.341 ( -0.859 0.000 0.400) 0.948 16.462 ( 0.463 0.000 -0.238) 0.521 16.565 ( -5.111 0.000 5.004) 7.152 16.908 ( 0.343 0.000 -0.956) 1.015 17.017 ( -0.557 0.000 3.453) 3.497 17.038 ( -1.359 0.000 0.347) 1.403 17.061 ( -3.226 0.000 0.659) 3.292 17.394 ( 3.097 0.000 -2.770) 4.155 17.498 ( 4.775 0.000 2.032) 5.190 17.507 ( -1.353 0.000 -3.936) 4.162 17.756 ( 3.367 0.000 -6.961) 7.733 18.129 ( -7.780 0.000 -1.308) 7.890 18.132 ( 0.329 0.000 -3.890) 3.904 18.293 ( -2.553 0.000 2.023) 3.258 18.445 ( -2.779 0.000 -0.121) 2.782 18.733 ( 3.995 0.000 3.942) 5.613 18.885 ( -6.389 0.000 1.703) 6.612 18.924 ( 1.931 0.000 2.495) 3.155 19.130 ( 3.008 0.000 -3.713) 4.778 20.837 ( -0.105 0.000 0.239) 0.261 20.843 ( -0.311 0.000 -0.065) 0.318 21.051 ( -0.539 0.000 1.049) 1.179 21.242 ( -0.203 0.000 -6.461) 6.464 21.379 ( -1.883 0.000 1.004) 2.134 21.460 ( -0.704 0.000 -0.304) 0.767 21.551 ( 0.711 0.000 0.275) 0.763 21.572 ( 2.072 0.000 3.433) 4.010 26.745 ( 0.675 0.000 0.858) 1.091 26.847 ( 0.610 0.000 -0.884) 1.074 26.891 ( -0.853 0.000 -0.086) 0.857 26.958 ( 0.000 0.000 -0.224) 0.224 27.658 ( 0.141 0.000 0.044) 0.148 27.670 ( 0.140 0.000 -0.439) 0.461 27.731 ( -0.676 0.000 0.732) 0.996 27.754 ( -1.523 0.000 -0.170) 1.532 35.588 ( 0.045 0.000 2.248) 2.248 35.761 ( 0.709 0.000 -2.500) 2.598 35.911 ( -0.234 0.000 4.699) 4.705 36.090 ( 0.089 0.000 -0.142) 0.168 36.865 ( -1.731 0.000 9.304) 9.464 37.108 ( -1.988 0.000 2.795) 3.430 37.366 ( -2.140 0.000 2.460) 3.260 37.577 ( 5.630 0.000 -1.841) 5.924 37.615 ( 3.259 0.000 -2.209) 3.937 37.788 ( 1.994 0.000 -6.609) 6.904 38.098 ( -14.513 0.000 7.790) 16.472 38.129 ( -0.540 0.000 3.784) 3.822 38.789 ( 7.026 0.000 -8.270) 10.852 39.529 ( 8.264 0.000 0.591) 8.285 40.190 ( -5.362 0.000 6.878) 8.721 41.006 ( -18.091 0.000 -50.815) 53.939 ======================= Grid point 69 (27/100) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 1.076 20.323 16.677) 26.311 0.833 ( -3.666 18.920 22.106) 29.327 1.260 ( 3.406 26.093 33.894) 42.910 1.759 ( -1.285 6.745 -1.407) 7.009 1.884 ( 2.433 6.659 -0.774) 7.132 2.346 ( -0.713 0.713 -4.354) 4.469 2.501 ( 3.829 1.310 -3.410) 5.292 2.543 ( 1.456 -0.372 4.665) 4.901 2.774 ( -5.000 -1.679 3.789) 6.494 3.106 ( 4.144 -2.467 -4.125) 6.346 3.205 ( -3.941 -5.414 -4.182) 7.895 3.305 ( -0.029 -7.469 -3.796) 8.378 3.507 ( -6.267 -4.231 8.790) 11.595 3.879 ( -6.527 2.894 1.521) 7.300 4.030 ( -5.148 7.666 1.539) 9.362 4.132 ( -4.901 -0.306 2.551) 5.534 4.415 ( 2.646 -1.010 8.837) 9.280 4.513 ( -1.390 -2.944 6.412) 7.191 4.536 ( -0.552 -6.339 -0.643) 6.395 4.665 ( 9.401 2.971 0.329) 9.864 4.784 ( 3.128 4.608 9.623) 11.118 4.900 ( 2.705 3.176 0.704) 4.230 5.011 ( 10.502 -0.338 6.956) 12.601 5.015 ( -5.933 7.782 -3.716) 10.467 5.137 ( -6.533 -1.444 -3.840) 7.714 5.274 ( -5.097 -5.668 0.193) 7.626 5.383 ( -1.355 -6.137 6.309) 8.905 5.478 ( 7.298 0.079 2.749) 7.799 5.706 ( -0.600 2.863 -0.432) 2.957 5.992 ( -6.634 -8.896 9.047) 14.318 6.016 ( 1.889 1.513 2.447) 3.442 6.182 ( -1.764 -6.649 2.750) 7.408 6.294 ( 1.292 -2.326 -0.063) 2.662 6.443 ( -0.137 7.120 -3.872) 8.105 6.454 ( -5.209 -0.714 -3.286) 6.200 6.632 ( 1.343 2.164 -3.945) 4.696 6.705 ( -8.106 3.501 -0.246) 8.833 6.764 ( -7.600 4.188 3.046) 9.197 6.842 ( 5.869 -1.562 3.985) 7.264 6.977 ( 4.378 11.872 -14.459) 19.214 7.038 ( -0.251 2.744 4.575) 5.340 7.182 ( 0.418 9.394 3.708) 10.108 7.335 ( -4.416 -1.577 1.617) 4.960 7.465 ( 0.174 2.030 6.004) 6.340 7.653 ( 5.625 -2.518 -1.322) 6.304 7.777 ( -3.826 -3.263 -6.654) 8.341 7.915 ( 2.144 -0.026 -2.074) 2.983 8.119 ( 3.389 -0.444 -3.583) 4.952 8.179 ( -0.223 -1.377 -1.967) 2.411 8.279 ( -5.215 -5.502 -2.197) 7.893 8.426 ( 4.635 -2.150 -0.389) 5.124 8.514 ( -4.542 -1.784 -5.339) 7.233 8.556 ( -1.772 -1.484 5.133) 5.629 8.736 ( 0.818 -2.090 5.652) 6.081 8.810 ( -3.469 0.296 -7.915) 8.647 8.911 ( 5.189 -4.497 -5.231) 8.632 9.186 ( 4.381 1.338 -2.125) 5.050 9.219 ( 4.894 8.692 1.303) 10.060 9.292 ( -2.681 3.245 -14.148) 14.761 9.465 ( -1.826 0.029 -3.557) 3.998 9.557 ( 3.422 -1.100 -0.705) 3.663 9.803 ( 1.442 0.936 -1.351) 2.186 9.846 ( -1.545 0.882 -2.543) 3.104 10.179 ( 1.961 -3.783 -2.763) 5.078 10.349 ( -0.470 -4.925 -3.798) 6.238 10.442 ( -0.546 -1.908 -3.649) 4.154 10.729 ( -0.801 5.525 7.379) 9.253 11.108 ( -7.283 -4.588 3.742) 9.386 11.297 ( -6.574 0.919 0.279) 6.644 11.486 ( -12.536 -2.178 1.640) 12.829 11.618 ( -7.644 5.094 -6.246) 11.108 11.665 ( -0.833 -0.621 -0.565) 1.182 12.374 ( -1.169 -1.538 1.364) 2.365 12.528 ( -1.694 -0.902 -4.409) 4.809 12.661 ( -3.609 -2.142 -0.386) 4.214 12.745 ( 0.798 -1.994 -1.049) 2.390 12.775 ( 0.818 -2.520 -0.783) 2.763 12.950 ( 2.806 -1.441 6.201) 6.957 13.042 ( 4.700 0.105 0.387) 4.717 13.325 ( -1.170 -13.740 12.274) 18.461 14.064 ( 2.762 1.054 2.101) 3.626 14.224 ( -0.248 5.497 2.362) 5.988 14.307 ( -4.321 5.553 -3.150) 7.709 14.438 ( 24.713 7.351 -5.552) 26.374 15.011 ( -1.112 -0.694 1.066) 1.690 15.226 ( 1.820 -3.175 -5.240) 6.391 15.496 ( -0.238 -0.296 -0.237) 0.448 15.556 ( -2.276 -4.475 6.944) 8.569 15.602 ( 9.366 -14.568 15.838) 23.469 15.765 ( -4.701 -2.020 1.588) 5.357 16.044 ( -3.300 -0.818 -0.488) 3.434 16.157 ( -5.884 1.884 2.898) 6.824 16.182 ( 2.606 -6.818 0.640) 7.327 16.454 ( -0.863 0.327 -0.583) 1.091 16.509 ( -4.257 -0.002 1.610) 4.551 16.546 ( 3.645 -2.630 4.032) 6.038 16.898 ( 0.637 -2.043 -0.517) 2.202 17.017 ( 5.248 4.422 -2.336) 7.249 17.036 ( -4.338 0.978 -1.398) 4.661 17.160 ( -0.338 -2.760 0.177) 2.786 17.412 ( 7.724 3.227 -2.990) 8.889 17.491 ( -1.135 2.033 -0.273) 2.344 17.545 ( -3.189 -0.964 -0.361) 3.351 17.649 ( -2.093 2.036 4.676) 5.513 18.044 ( -1.111 2.539 -0.990) 2.943 18.145 ( 4.788 -0.777 -3.624) 6.055 18.321 ( -2.973 -1.839 -2.670) 4.399 18.371 ( 3.852 0.684 -4.438) 5.916 18.761 ( -3.999 1.480 1.388) 4.485 18.902 ( 0.810 0.366 4.976) 5.054 18.976 ( 0.073 2.418 1.319) 2.755 19.157 ( 1.806 -1.935 0.297) 2.663 20.864 ( -0.020 2.666 0.451) 2.704 20.923 ( -0.209 3.827 -0.182) 3.837 21.125 ( 0.848 1.012 -1.007) 1.660 21.339 ( 0.627 9.075 -12.121) 15.155 21.369 ( -2.212 2.719 -2.305) 4.195 21.443 ( 0.151 -0.664 -0.505) 0.848 21.573 ( 0.602 0.791 0.298) 1.037 21.673 ( 0.041 2.329 -5.532) 6.002 26.759 ( -0.450 0.821 1.076) 1.426 26.856 ( 0.616 0.421 -0.504) 0.900 26.883 ( 0.284 -0.403 0.518) 0.715 26.957 ( 0.218 -0.187 -0.735) 0.789 27.654 ( -0.260 0.003 -0.503) 0.566 27.667 ( 0.084 0.262 -0.525) 0.592 27.727 ( -0.388 -0.269 0.506) 0.693 27.737 ( 0.251 -0.143 0.079) 0.300 35.614 ( -1.056 0.990 2.774) 3.129 35.802 ( 1.979 2.958 -1.688) 3.938 36.082 ( 3.162 -5.883 6.585) 9.379 36.133 ( 3.572 -1.211 3.780) 5.340 37.088 ( -1.162 -2.145 3.624) 4.368 37.230 ( 19.061 -22.910 28.297) 41.096 37.370 ( -1.694 2.103 1.699) 3.190 37.643 ( 1.725 -0.432 -7.157) 7.374 37.696 ( 10.553 0.836 -4.151) 11.371 37.787 ( -4.154 1.340 -0.103) 4.366 37.860 ( -7.709 -4.262 0.579) 8.828 37.994 ( -10.178 -3.470 1.609) 10.873 38.269 ( -14.747 -0.898 14.233) 20.515 39.490 ( -9.895 2.549 -15.686) 18.721 39.835 ( 18.100 2.990 -9.680) 20.742 40.063 ( -10.227 -0.708 -4.067) 11.029 ======================= Grid point 70 (28/100) ======================= q-point: ( 0.17 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 10.454 9.370 18.004) 22.831 1.154 ( 16.570 11.757 15.270) 25.416 1.719 ( 4.486 9.071 3.709) 10.779 1.833 ( 8.941 4.552 7.392) 12.462 1.979 ( 11.008 10.575 8.587) 17.514 2.280 ( 0.156 1.643 -6.069) 6.289 2.542 ( 3.928 0.859 -3.331) 5.221 2.612 ( 0.970 0.564 6.838) 6.929 2.680 ( -8.277 0.031 4.780) 9.558 3.038 ( -5.542 -1.619 -5.895) 8.252 3.137 ( -1.214 -0.571 -0.246) 1.364 3.288 ( 0.893 -3.641 -2.432) 4.469 3.506 ( -3.142 0.468 7.968) 8.578 3.839 ( -0.417 2.356 2.923) 3.777 3.949 ( -0.037 3.657 -8.058) 8.849 4.115 ( -5.308 -3.895 11.954) 13.647 4.364 ( -11.438 -2.762 -3.539) 12.287 4.466 ( -2.745 3.362 5.125) 6.716 4.496 ( -8.243 -0.179 -0.007) 8.245 4.749 ( -8.105 3.902 4.610) 10.108 4.824 ( -2.580 3.692 -7.809) 9.015 4.930 ( 1.066 2.063 -2.049) 3.097 5.034 ( 11.462 2.295 7.599) 13.942 5.127 ( 9.150 -1.542 5.768) 10.926 5.244 ( 2.967 1.604 7.967) 8.652 5.311 ( -4.679 -1.621 16.533) 17.259 5.465 ( 12.778 -5.850 0.202) 14.054 5.700 ( 3.579 -1.963 3.251) 5.219 5.764 ( 6.396 -1.728 -4.104) 7.794 5.959 ( -3.836 -5.350 2.068) 6.900 5.994 ( -5.484 -3.525 1.557) 6.702 6.190 ( 2.878 -2.795 0.508) 4.044 6.284 ( 0.337 -1.434 -2.128) 2.588 6.404 ( -0.365 7.191 -4.676) 8.585 6.416 ( 0.066 1.099 -0.911) 1.429 6.556 ( -0.323 -0.858 1.477) 1.738 6.641 ( -1.318 2.760 1.685) 3.492 6.732 ( 4.059 0.052 -1.076) 4.199 6.898 ( 3.498 -2.044 -0.804) 4.131 7.042 ( 6.735 10.668 -0.020) 12.616 7.112 ( 3.262 4.038 3.354) 6.180 7.222 ( 2.214 6.867 8.470) 11.127 7.357 ( -1.112 -1.648 -4.433) 4.858 7.606 ( 3.497 -3.744 1.908) 5.467 7.627 ( 3.560 -1.569 0.286) 3.900 7.818 ( 6.107 0.311 -2.365) 6.556 7.921 ( 1.892 -0.944 -2.713) 3.440 8.081 ( 0.374 5.305 -5.708) 7.801 8.156 ( -0.683 -3.371 0.051) 3.440 8.195 ( -0.257 0.163 -1.147) 1.187 8.348 ( -8.311 1.923 -2.788) 8.974 8.477 ( 1.704 -2.714 -1.983) 3.769 8.521 ( -3.813 -5.866 1.609) 7.179 8.660 ( -7.135 2.427 -3.162) 8.173 8.840 ( 2.155 -2.736 1.092) 3.650 8.927 ( 0.326 -7.103 -6.153) 9.403 9.054 ( -5.260 8.592 0.508) 10.087 9.115 ( -1.866 3.888 -9.482) 10.416 9.201 ( -3.530 1.019 -1.568) 3.995 9.521 ( -0.278 -2.626 -1.968) 3.293 9.625 ( 2.611 -0.578 -6.513) 7.041 9.670 ( -3.891 1.416 -5.227) 6.668 9.809 ( -3.354 -2.754 0.290) 4.350 10.149 ( -1.183 -2.017 -1.644) 2.858 10.209 ( -7.942 -3.448 1.290) 8.753 10.398 ( -3.705 -3.795 -2.133) 5.716 10.736 ( -6.060 3.290 9.295) 11.574 10.912 ( -3.762 9.138 3.480) 10.477 11.330 ( 4.057 2.781 -2.439) 5.491 11.416 ( 0.893 -3.980 -0.844) 4.165 11.556 ( -1.080 1.908 -0.357) 2.222 11.652 ( -0.285 -0.151 -0.350) 0.476 12.388 ( 1.064 -1.555 0.959) 2.114 12.479 ( 0.142 -0.648 -2.479) 2.566 12.589 ( -2.324 -0.725 -1.275) 2.748 12.723 ( -2.940 -1.424 1.704) 3.684 12.820 ( 3.826 -4.092 -1.442) 5.785 13.102 ( 1.364 -3.871 6.111) 7.362 13.152 ( 6.023 -1.599 3.362) 7.080 13.264 ( -2.463 -0.504 0.889) 2.667 14.095 ( -0.816 5.034 0.813) 5.164 14.269 ( -0.209 0.780 0.882) 1.196 14.314 ( 7.188 3.239 0.827) 7.927 14.736 ( 14.292 1.139 -12.979) 19.340 15.009 ( -0.124 -2.823 1.186) 3.064 15.211 ( 1.626 -2.007 -4.113) 4.856 15.478 ( 0.444 -1.858 -1.632) 2.512 15.576 ( -5.084 -2.641 8.292) 10.079 15.657 ( -4.643 -1.270 -4.287) 6.446 15.737 ( -11.407 -13.073 13.339) 21.885 15.989 ( -2.755 1.091 -1.371) 3.264 16.068 ( -6.462 6.553 7.345) 11.775 16.200 ( 2.486 -7.368 -3.722) 8.621 16.382 ( -2.243 0.702 -2.810) 3.664 16.448 ( -2.397 1.752 -0.747) 3.062 16.584 ( -6.622 -6.290 6.625) 11.283 16.884 ( -0.419 -2.550 -0.821) 2.712 16.961 ( -0.679 -1.021 -1.195) 1.712 17.111 ( 1.773 1.826 -0.608) 2.617 17.161 ( 4.655 2.908 -4.060) 6.827 17.423 ( -3.820 0.633 -0.363) 3.889 17.495 ( -3.836 -0.863 3.402) 5.199 17.508 ( 4.052 3.132 -3.814) 6.386 17.704 ( 3.892 2.355 2.177) 5.043 18.075 ( 6.073 1.058 -3.167) 6.930 18.178 ( 1.113 -1.142 -0.920) 1.841 18.323 ( 2.814 0.439 0.428) 2.880 18.436 ( 6.553 -1.282 -3.080) 7.353 18.690 ( -3.792 3.560 0.930) 5.284 18.920 ( -1.783 -0.255 -1.250) 2.192 19.017 ( 1.364 0.572 4.794) 5.017 19.161 ( -1.874 -1.341 1.084) 2.547 20.869 ( -0.042 3.412 0.683) 3.480 20.912 ( -0.422 4.261 -0.329) 4.295 21.087 ( -2.972 3.763 -1.844) 5.137 21.230 ( 2.233 6.876 -6.598) 9.787 21.367 ( -0.488 0.041 1.426) 1.508 21.449 ( 0.931 -0.837 -0.332) 1.295 21.576 ( -0.625 0.444 0.428) 0.878 21.612 ( -2.160 -0.610 0.005) 2.245 26.752 ( -1.429 0.676 1.024) 1.884 26.861 ( 0.435 0.657 -0.621) 1.003 26.899 ( 0.635 -0.936 0.888) 1.438 26.954 ( 0.325 0.033 -0.771) 0.838 27.645 ( -0.263 0.132 -0.335) 0.446 27.662 ( 0.067 0.537 -0.665) 0.858 27.733 ( 0.422 -0.306 0.418) 0.668 27.758 ( 1.531 -0.344 0.231) 1.586 35.610 ( -1.810 1.031 2.149) 2.993 35.841 ( 2.883 3.059 -0.216) 4.209 36.102 ( -3.777 -4.207 3.326) 6.560 36.200 ( 1.221 0.775 2.814) 3.164 37.097 ( -2.123 -1.506 3.927) 4.711 37.261 ( -18.345 -7.549 17.195) 26.253 37.365 ( -1.217 1.524 1.607) 2.527 37.542 ( -4.992 0.282 -4.918) 7.013 37.586 ( -5.061 1.749 -4.676) 7.109 37.809 ( 6.768 1.680 -6.518) 9.546 38.032 ( 7.130 -2.329 3.588) 8.315 38.210 ( -5.528 4.767 9.458) 11.948 38.424 ( 34.672 -25.302 -3.482) 43.063 39.386 ( 6.389 5.032 -5.731) 9.949 39.780 ( -11.368 -0.634 -12.014) 16.552 40.231 ( 25.974 -9.407 -7.469) 28.617 ======================= Grid point 71 (29/100) ======================= q-point: ( 0.33 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 10.075 2.366 11.106) 15.180 1.585 ( 15.367 4.159 6.449) 17.176 1.792 ( 3.860 5.561 -0.426) 6.783 1.850 ( -3.913 5.398 -0.483) 6.685 2.170 ( -2.889 0.647 -5.675) 6.401 2.241 ( 1.751 3.869 -8.425) 9.435 2.563 ( 0.132 -2.543 -0.267) 2.560 2.677 ( 1.438 0.702 3.897) 4.213 2.780 ( 6.772 2.371 14.013) 15.743 2.866 ( -4.586 1.163 -4.764) 6.715 3.115 ( 0.300 -0.428 -2.533) 2.587 3.274 ( -0.020 1.761 -4.389) 4.729 3.563 ( 0.188 1.261 11.252) 11.324 3.796 ( -2.858 1.970 -1.996) 4.004 3.962 ( -0.448 2.530 2.594) 3.651 4.075 ( -8.514 -2.308 2.125) 9.074 4.137 ( -3.521 -1.949 -2.267) 4.619 4.285 ( -7.572 1.322 1.617) 7.855 4.445 ( -9.803 4.698 5.396) 12.136 4.530 ( -13.948 1.111 5.312) 14.966 4.748 ( 6.169 4.131 -11.122) 13.373 5.015 ( 6.508 3.511 -7.181) 10.307 5.264 ( -1.692 -1.513 1.179) 2.558 5.279 ( 1.009 -1.882 7.271) 7.578 5.359 ( 9.044 -3.550 0.702) 9.741 5.475 ( 1.088 3.719 4.729) 6.114 5.501 ( -2.742 -0.996 -5.355) 6.098 5.695 ( -1.498 -5.989 4.736) 7.781 5.824 ( 4.405 -0.349 -3.931) 5.914 5.880 ( -0.420 0.676 2.100) 2.246 6.008 ( -3.178 -5.261 1.792) 6.403 6.193 ( 4.718 -1.491 0.335) 4.959 6.300 ( -4.287 5.655 -2.392) 7.488 6.386 ( 2.984 7.201 -1.710) 7.981 6.421 ( 3.336 2.950 8.445) 9.547 6.585 ( -0.908 -0.080 3.430) 3.549 6.687 ( 0.205 1.162 6.990) 7.089 6.922 ( 8.123 -3.250 0.627) 8.772 7.014 ( 7.474 -3.002 2.278) 8.370 7.137 ( -2.944 0.977 -6.116) 6.858 7.161 ( -0.693 -1.935 4.966) 5.375 7.311 ( 7.298 0.688 2.951) 7.902 7.393 ( 7.879 3.902 7.397) 11.490 7.629 ( -5.604 -0.553 -2.629) 6.215 7.722 ( 0.694 -0.843 2.116) 2.381 7.818 ( 7.108 -5.064 2.507) 9.080 8.013 ( 2.384 -1.253 -0.865) 2.829 8.058 ( 2.656 -0.101 -6.097) 6.651 8.172 ( 0.355 -2.594 4.567) 5.264 8.203 ( -4.150 3.703 -4.242) 6.995 8.260 ( 3.247 4.184 -4.134) 6.718 8.425 ( -2.346 2.889 -2.953) 4.751 8.474 ( -3.530 -1.626 2.907) 4.853 8.536 ( 5.130 2.754 -4.034) 7.083 8.731 ( -10.122 -2.674 -8.364) 13.400 8.874 ( 3.853 -0.009 -1.373) 4.090 9.007 ( -4.496 -1.896 -4.959) 6.957 9.052 ( 1.192 2.105 -6.399) 6.841 9.200 ( 6.139 1.359 3.775) 7.334 9.367 ( -6.702 1.439 -1.589) 7.036 9.449 ( -8.382 0.651 -2.871) 8.884 9.726 ( -1.248 -4.967 0.793) 5.182 9.759 ( -0.823 -2.938 3.541) 4.674 10.080 ( -6.797 -3.417 1.223) 7.706 10.141 ( -1.276 -2.992 0.640) 3.315 10.284 ( -3.878 -3.641 -2.859) 6.039 10.748 ( 0.084 5.086 2.425) 5.635 10.898 ( -2.362 7.905 2.196) 8.538 11.384 ( 3.454 0.905 0.244) 3.579 11.444 ( 0.907 -4.514 2.322) 5.157 11.551 ( 0.295 0.456 1.695) 1.780 11.653 ( -0.137 0.688 1.465) 1.624 12.420 ( 1.720 -1.140 0.269) 2.081 12.484 ( 1.604 0.168 -0.313) 1.642 12.554 ( -1.244 -0.382 0.841) 1.549 12.680 ( -3.494 -0.635 2.166) 4.160 12.876 ( 3.920 -4.714 -2.506) 6.623 13.092 ( -1.496 -2.909 -2.911) 4.379 13.198 ( 1.685 -1.663 -2.442) 3.401 13.366 ( 2.034 -0.508 4.176) 4.672 14.082 ( 0.118 4.319 -1.145) 4.470 14.277 ( -0.927 -0.048 2.124) 2.318 14.477 ( 10.034 2.981 -1.879) 10.635 14.772 ( 2.943 0.119 -9.897) 10.326 15.017 ( 1.028 -4.764 -2.131) 5.319 15.212 ( 2.236 -1.254 -3.044) 3.979 15.459 ( -9.640 -3.392 3.851) 10.921 15.485 ( -0.045 -2.810 0.917) 2.956 15.526 ( -10.024 -2.296 1.418) 10.380 15.641 ( -3.074 -3.949 3.297) 5.993 15.918 ( -2.584 1.974 -1.014) 3.406 16.059 ( -3.846 7.746 7.742) 11.608 16.211 ( 1.654 -5.881 -1.483) 6.287 16.376 ( 2.279 0.957 -3.571) 4.343 16.398 ( -0.382 1.682 1.149) 2.073 16.474 ( -9.024 -2.601 4.437) 10.387 16.902 ( 1.503 -3.296 1.342) 3.863 16.957 ( 0.578 -0.481 -0.519) 0.914 17.108 ( 2.153 1.503 -3.951) 4.743 17.201 ( 2.647 2.787 -4.723) 6.090 17.357 ( -4.436 -1.711 2.116) 5.204 17.453 ( -2.456 2.486 0.172) 3.498 17.543 ( 1.303 -0.019 2.413) 2.742 17.781 ( 3.295 2.876 -1.898) 4.768 18.176 ( 6.398 0.346 -2.739) 6.968 18.201 ( 2.486 1.195 0.328) 2.778 18.369 ( -0.055 0.492 2.631) 2.677 18.519 ( 3.490 -2.253 -0.707) 4.214 18.652 ( -1.990 3.380 1.791) 4.312 18.855 ( -0.470 0.559 -5.438) 5.487 19.073 ( 0.162 -1.001 2.592) 2.783 19.123 ( -2.714 -0.863 0.700) 2.933 20.873 ( -0.258 3.966 0.552) 4.013 20.905 ( 0.064 3.995 -0.410) 4.017 21.039 ( -0.957 2.424 0.039) 2.607 21.237 ( 2.476 2.581 -2.982) 4.657 21.372 ( -0.659 0.092 1.842) 1.959 21.470 ( 1.575 -0.229 -0.404) 1.642 21.558 ( -1.561 -0.252 0.312) 1.611 21.586 ( -0.945 -1.220 -0.077) 1.545 26.732 ( -1.579 0.624 0.970) 1.955 26.861 ( 0.434 0.849 -0.943) 1.341 26.916 ( 0.291 -1.556 0.546) 1.675 26.955 ( 0.530 0.021 -0.754) 0.921 27.640 ( -0.058 0.378 -0.035) 0.384 27.660 ( 0.258 0.606 -0.348) 0.745 27.745 ( 0.279 -0.006 0.449) 0.529 27.788 ( 1.348 -0.654 0.042) 1.498 35.592 ( -1.701 1.027 1.227) 2.336 35.885 ( 1.898 3.087 -1.317) 3.856 36.051 ( -3.629 -3.225 1.415) 5.057 36.225 ( -0.286 1.820 -0.379) 1.881 37.059 ( -6.302 -0.856 5.166) 8.194 37.166 ( -5.894 -1.592 7.995) 10.059 37.366 ( 0.305 1.248 0.089) 1.288 37.428 ( -0.772 0.763 -3.510) 3.674 37.494 ( -1.483 2.233 -3.344) 4.286 37.860 ( 5.961 2.483 -7.319) 9.761 38.105 ( -2.552 0.769 3.015) 4.024 38.321 ( 5.824 -0.581 8.670) 10.461 38.815 ( 10.730 -19.350 -2.331) 22.248 39.415 ( -6.389 7.195 -11.291) 14.835 39.572 ( 7.489 -8.871 3.092) 12.014 40.570 ( 16.044 -13.615 -3.878) 21.397 ======================= Grid point 72 (30/100) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -12.909 1.016 -0.036) 12.949 1.691 ( -12.199 3.150 -3.885) 13.184 1.775 ( 3.258 4.057 1.813) 5.510 1.858 ( 0.554 1.797 0.785) 2.038 2.096 ( 10.261 5.441 -6.389) 13.256 2.211 ( 3.561 2.786 -8.701) 9.806 2.566 ( -1.008 -2.902 3.513) 4.667 2.651 ( -4.494 2.785 -1.099) 5.400 2.770 ( -9.646 -0.021 -4.207) 10.523 2.905 ( 0.669 3.695 1.258) 3.960 3.114 ( 2.277 -1.022 -1.645) 2.989 3.256 ( 3.294 0.692 -2.325) 4.090 3.558 ( -4.120 3.295 6.203) 8.143 3.820 ( -4.772 -7.927 0.215) 9.255 3.996 ( 8.571 2.085 11.908) 14.819 4.066 ( -0.588 5.509 4.648) 7.232 4.141 ( 3.251 1.161 -4.566) 5.724 4.223 ( -0.064 -3.214 0.853) 3.325 4.316 ( -2.352 4.867 2.109) 5.803 4.407 ( -6.468 3.150 10.035) 12.348 4.770 ( 4.770 5.809 -11.597) 13.820 4.993 ( -1.230 3.647 -8.044) 8.917 5.044 ( -7.513 2.483 -12.745) 15.002 5.157 ( -8.510 0.246 -10.203) 13.288 5.331 ( -6.289 2.591 -8.162) 10.625 5.487 ( 6.200 -2.414 5.613) 8.705 5.628 ( -6.201 -4.397 6.625) 10.084 5.737 ( 2.100 -2.580 1.718) 3.744 5.861 ( 1.529 1.440 3.788) 4.332 5.895 ( -0.415 2.831 -0.829) 2.979 5.937 ( 1.124 -5.055 -1.740) 5.463 6.209 ( -4.648 1.172 3.934) 6.201 6.341 ( 3.353 1.032 0.556) 3.552 6.467 ( 3.587 5.814 4.492) 8.176 6.579 ( 3.876 1.171 6.901) 8.001 6.680 ( 1.202 1.492 6.164) 6.455 6.738 ( -0.020 0.207 13.255) 13.256 6.953 ( -7.042 -3.010 -1.877) 7.885 7.013 ( 4.518 -4.472 -0.236) 6.361 7.131 ( -2.121 3.470 -7.416) 8.458 7.214 ( -3.333 -6.170 7.353) 10.161 7.355 ( -4.766 1.013 4.275) 6.482 7.465 ( -5.412 2.027 0.191) 5.782 7.627 ( 3.937 2.065 0.323) 4.458 7.673 ( 0.393 -2.466 0.594) 2.567 7.893 ( -0.694 -4.520 -2.965) 5.450 7.969 ( -3.504 -1.955 -7.060) 8.120 8.073 ( 2.462 -5.942 2.982) 7.090 8.106 ( -5.716 0.662 -4.211) 7.130 8.147 ( 5.155 1.408 -8.119) 9.720 8.341 ( -5.922 3.577 -5.987) 9.149 8.399 ( 9.131 5.013 8.789) 13.629 8.438 ( 1.271 -0.414 1.601) 2.085 8.621 ( 2.403 3.039 -5.175) 6.465 8.708 ( 11.208 -1.682 3.807) 11.956 8.905 ( -0.170 0.864 -0.950) 1.295 9.028 ( 8.173 0.597 -1.989) 8.433 9.095 ( -2.496 -0.721 3.093) 4.039 9.156 ( 3.809 -3.540 -0.152) 5.203 9.273 ( -3.267 1.027 -2.188) 4.064 9.462 ( 3.157 1.151 4.609) 5.704 9.697 ( -0.362 -3.210 5.645) 6.504 9.786 ( -0.324 -2.288 0.328) 2.334 9.975 ( -1.928 -2.889 -3.160) 4.696 10.104 ( -2.613 -1.950 -1.337) 3.524 10.245 ( 2.360 -4.950 -1.663) 5.731 10.762 ( -0.404 5.960 1.069) 6.068 10.859 ( -2.267 7.733 -0.621) 8.082 11.472 ( -0.441 -2.746 3.361) 4.362 11.483 ( 3.129 -0.620 6.767) 7.481 11.604 ( 1.488 -2.244 4.278) 5.055 11.672 ( -1.271 0.442 4.609) 4.802 12.458 ( 0.960 -0.401 1.709) 2.001 12.522 ( 1.445 -0.031 1.800) 2.308 12.554 ( -0.011 -0.478 1.746) 1.810 12.641 ( -2.201 -0.391 1.146) 2.512 12.904 ( 1.395 -4.926 -2.620) 5.751 13.027 ( -0.564 -2.371 -6.853) 7.273 13.186 ( 0.140 -1.785 -4.313) 4.670 13.296 ( -6.694 0.389 -7.527) 10.081 14.085 ( 1.495 3.997 -1.075) 4.401 14.265 ( -2.567 -0.990 1.883) 3.334 14.574 ( 1.187 5.046 -8.220) 9.718 14.742 ( 3.791 -2.170 -1.175) 4.524 15.003 ( 0.828 -4.661 -4.175) 6.313 15.251 ( 4.460 -1.876 -1.010) 4.943 15.341 ( -7.226 -3.452 3.809) 8.868 15.414 ( -1.976 -3.386 0.826) 4.006 15.535 ( 4.193 -0.718 1.074) 4.387 15.624 ( -0.347 -0.075 -0.808) 0.883 15.875 ( -2.464 -0.420 1.238) 2.789 16.060 ( -1.595 6.947 4.340) 8.345 16.261 ( 2.122 -3.002 3.927) 5.379 16.348 ( 0.020 1.273 -1.289) 1.812 16.365 ( -4.587 -3.153 1.929) 5.891 16.493 ( 4.464 0.583 2.468) 5.134 16.920 ( -0.862 -2.955 0.343) 3.097 16.976 ( 0.995 0.090 0.835) 1.302 17.123 ( 3.401 -0.505 -6.197) 7.087 17.186 ( 1.240 2.189 -2.419) 3.491 17.301 ( -3.894 0.611 3.242) 5.103 17.417 ( -0.613 1.783 -1.205) 2.238 17.583 ( -1.035 -0.068 3.856) 3.993 17.788 ( 1.353 1.793 -4.716) 5.224 18.223 ( 0.272 3.742 1.437) 4.018 18.277 ( 3.808 -0.420 -2.536) 4.594 18.370 ( -2.048 0.807 2.796) 3.559 18.554 ( -0.732 -1.124 1.949) 2.366 18.607 ( -3.441 1.692 1.193) 4.016 18.844 ( 5.188 1.090 -6.215) 8.169 19.065 ( -2.363 -0.627 0.267) 2.460 19.086 ( -1.045 -1.237 -0.521) 1.701 20.870 ( -0.405 3.575 0.210) 3.604 20.904 ( 0.214 3.875 -0.420) 3.903 21.046 ( 0.467 2.227 1.738) 2.863 21.255 ( 2.265 1.564 -2.248) 3.554 21.381 ( -0.570 0.477 2.534) 2.641 21.491 ( 0.497 0.503 -0.327) 0.779 21.534 ( -0.635 -0.778 -0.066) 1.006 21.567 ( -0.578 -1.182 -0.926) 1.609 26.719 ( -0.582 0.710 0.932) 1.308 26.858 ( 0.433 0.880 -1.271) 1.605 26.917 ( -0.543 -1.730 0.078) 1.815 26.957 ( 0.382 -0.114 -0.701) 0.807 27.642 ( 0.199 0.340 0.249) 0.466 27.665 ( 0.405 0.603 -0.015) 0.727 27.749 ( -0.354 0.245 0.493) 0.654 27.801 ( -0.070 -0.805 -0.223) 0.838 35.577 ( -0.863 0.998 0.845) 1.567 35.871 ( -0.451 2.858 -3.845) 4.812 36.000 ( -2.469 -2.768 -0.538) 3.748 36.188 ( -1.178 1.824 -3.616) 4.218 36.989 ( -5.681 0.075 3.648) 6.752 37.140 ( -3.646 -1.128 4.287) 5.740 37.380 ( 0.946 0.929 0.598) 1.455 37.451 ( 3.742 0.710 -0.251) 3.817 37.469 ( 1.792 3.332 -1.080) 3.934 37.887 ( 4.441 3.317 -7.878) 9.633 38.085 ( -2.348 1.031 3.725) 4.522 38.436 ( -4.376 -3.790 7.382) 9.382 38.786 ( -4.853 -8.801 -7.527) 12.556 39.294 ( 6.628 -3.033 -10.710) 12.955 39.830 ( 6.314 -7.537 16.309) 19.044 40.767 ( 7.030 -17.360 0.374) 18.734 ======================= Grid point 73 (31/100) ======================= q-point: (-0.33 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -24.401 4.593 -2.746) 24.981 1.304 ( -21.948 10.994 -3.302) 24.769 1.833 ( -0.704 2.325 0.134) 2.432 1.851 ( -4.834 2.183 4.327) 6.845 2.124 ( -15.111 10.690 -8.270) 20.273 2.262 ( 8.428 2.057 -7.547) 11.499 2.331 ( -6.405 5.105 -1.041) 8.256 2.552 ( -4.227 4.957 2.463) 6.965 2.706 ( 3.903 -1.755 1.818) 4.650 2.975 ( 6.057 -0.112 -2.721) 6.641 3.181 ( 4.647 -5.025 0.938) 6.908 3.303 ( 4.003 -2.578 -2.192) 5.242 3.640 ( -4.073 -4.468 12.997) 14.334 3.770 ( 2.759 -5.769 3.229) 7.164 3.929 ( -3.798 -0.306 -2.672) 4.654 4.167 ( 3.305 1.712 -1.847) 4.155 4.242 ( 4.804 5.311 -0.742) 7.199 4.294 ( 3.060 -1.588 0.114) 3.450 4.440 ( 8.080 2.493 0.625) 8.479 4.548 ( 7.756 0.348 15.147) 17.021 4.679 ( -2.104 5.463 -5.575) 8.084 4.714 ( -5.377 8.096 -12.702) 15.993 4.982 ( 0.732 5.543 -4.858) 7.407 5.001 ( -2.159 4.074 -2.778) 5.383 5.183 ( -1.956 5.445 0.553) 5.812 5.404 ( -14.210 -4.882 0.791) 15.046 5.637 ( -0.851 -7.257 -0.845) 7.356 5.745 ( -0.217 4.722 -2.451) 5.325 5.780 ( -3.963 -5.035 4.339) 7.738 5.938 ( 1.044 0.153 -0.281) 1.092 5.975 ( -4.079 -7.633 -4.150) 9.598 6.222 ( 2.798 1.646 -1.265) 3.484 6.310 ( -4.942 3.744 8.962) 10.897 6.560 ( -0.816 4.619 7.245) 8.631 6.646 ( -4.368 -1.247 1.881) 4.917 6.728 ( -2.420 -3.742 9.583) 10.568 6.771 ( -1.902 -2.741 -5.574) 6.496 6.811 ( -7.776 5.130 -7.665) 12.064 6.953 ( -3.748 2.953 8.843) 10.048 7.017 ( -7.313 -2.976 6.049) 9.947 7.139 ( -0.575 2.433 -0.938) 2.670 7.326 ( -10.444 3.089 0.525) 10.904 7.504 ( 5.678 -5.136 7.818) 10.943 7.604 ( -2.172 -1.989 -2.011) 3.566 7.772 ( -10.212 1.271 0.821) 10.323 7.840 ( 2.840 -5.313 -3.091) 6.771 7.878 ( 6.457 -4.288 -1.527) 7.900 7.978 ( 1.978 1.709 -6.948) 7.423 8.150 ( 7.358 1.436 -4.540) 8.764 8.198 ( 3.134 -2.631 1.525) 4.367 8.290 ( 2.379 4.755 -1.231) 5.457 8.461 ( 1.593 0.762 -2.599) 3.143 8.525 ( -4.164 2.596 3.069) 5.788 8.654 ( 6.105 1.638 4.785) 7.928 8.837 ( -2.357 -0.782 0.635) 2.563 8.930 ( -1.611 0.651 -5.411) 5.683 8.987 ( 5.147 -4.172 2.775) 7.183 9.118 ( -2.440 -2.796 -1.512) 4.008 9.274 ( 9.328 -2.927 -2.440) 10.077 9.475 ( 10.489 2.684 0.736) 10.852 9.526 ( 6.743 0.807 6.158) 9.167 9.729 ( -4.243 -0.227 -2.505) 4.933 9.823 ( 3.655 -0.958 4.665) 6.003 9.976 ( 5.567 -2.344 -4.065) 7.281 10.081 ( 4.201 -0.962 -0.456) 4.334 10.317 ( 5.808 -4.172 -0.965) 7.216 10.774 ( -0.902 5.074 5.685) 7.674 10.816 ( -0.523 8.207 -2.196) 8.512 11.475 ( -1.995 -2.770 2.169) 4.045 11.608 ( -2.409 -3.384 8.630) 9.578 11.657 ( 0.669 -2.183 2.016) 3.046 11.722 ( 1.125 0.194 14.294) 14.340 12.460 ( -3.397 0.050 2.893) 4.462 12.569 ( 0.691 -1.072 3.518) 3.742 12.592 ( 1.520 -0.653 2.090) 2.666 12.635 ( 1.781 -0.909 -0.655) 2.104 12.862 ( -2.638 -2.797 -4.986) 6.296 12.942 ( -0.276 -3.239 -6.535) 7.299 13.056 ( -4.643 1.357 -8.097) 9.432 13.153 ( -0.718 -0.694 -7.456) 7.523 14.110 ( 0.587 5.084 0.813) 5.182 14.227 ( -1.979 -2.261 -0.194) 3.011 14.425 ( -7.289 4.150 -4.332) 9.440 14.822 ( 5.423 -2.156 -8.951) 10.686 14.966 ( -0.475 -1.713 -2.573) 3.128 15.253 ( -2.934 -4.988 -0.003) 5.787 15.366 ( 4.552 -2.135 2.083) 5.442 15.374 ( -1.666 -3.115 -2.448) 4.298 15.611 ( 0.273 -0.746 -1.682) 1.860 15.700 ( 11.403 0.985 1.358) 11.525 15.848 ( -3.456 -3.433 5.377) 7.256 16.098 ( 1.193 6.267 3.766) 7.408 16.302 ( -2.624 -6.388 -0.084) 6.906 16.336 ( 1.830 -0.425 1.041) 2.148 16.391 ( 3.286 0.210 2.283) 4.007 16.575 ( -0.173 0.254 4.770) 4.780 16.896 ( -0.618 -2.784 -1.683) 3.311 16.998 ( 0.999 0.644 -0.152) 1.198 17.081 ( -0.568 2.504 -3.535) 4.370 17.200 ( -2.207 0.923 1.697) 2.933 17.329 ( 4.557 1.965 2.717) 5.658 17.403 ( 1.073 -0.613 -2.821) 3.079 17.573 ( -1.956 1.200 0.855) 2.449 17.755 ( 0.582 -0.388 -5.674) 5.717 18.187 ( -4.008 -0.073 -1.843) 4.412 18.253 ( -4.530 1.019 1.063) 4.763 18.374 ( 0.026 2.842 0.683) 2.923 18.495 ( -4.847 -0.526 1.594) 5.129 18.641 ( 3.823 1.244 1.437) 4.269 18.894 ( 4.037 2.114 -2.156) 5.041 18.998 ( -4.569 0.536 -0.046) 4.600 19.083 ( 2.015 -2.179 -2.069) 3.618 20.864 ( -0.327 2.871 0.132) 2.893 20.906 ( 0.443 4.323 -0.208) 4.351 21.079 ( 1.179 2.920 1.430) 3.458 21.285 ( 3.481 2.359 -2.225) 4.757 21.406 ( 0.658 2.406 3.467) 4.271 21.473 ( -1.413 -0.784 -0.309) 1.645 21.533 ( 0.003 -0.570 -1.674) 1.768 21.557 ( 0.917 0.246 -0.095) 0.954 26.729 ( 0.534 0.801 0.977) 1.371 26.854 ( 0.458 0.731 -1.296) 1.557 26.899 ( -1.155 -1.362 -0.161) 1.793 26.957 ( 0.283 -0.300 -0.515) 0.660 27.651 ( 0.334 0.123 0.396) 0.533 27.671 ( 0.266 0.427 -0.152) 0.525 27.743 ( -0.790 0.284 0.570) 1.014 27.783 ( -1.416 -0.628 -0.341) 1.586 35.579 ( -0.064 0.954 1.333) 1.640 35.820 ( -0.268 2.810 -4.051) 4.938 35.942 ( -2.362 -2.149 -2.025) 3.782 36.126 ( -1.207 0.753 -3.751) 4.012 36.915 ( -5.450 0.438 2.734) 6.113 37.112 ( -2.919 -1.344 2.827) 4.280 37.398 ( -1.048 2.231 2.270) 3.351 37.503 ( 4.009 1.546 0.094) 4.298 37.568 ( 6.510 2.164 -0.381) 6.871 37.859 ( 1.621 2.901 -9.889) 10.433 38.098 ( -0.484 0.315 4.049) 4.090 38.289 ( -16.379 -2.438 8.685) 18.699 38.660 ( -0.992 -10.648 -8.046) 13.383 39.367 ( 8.123 -5.077 -5.209) 10.904 40.058 ( 1.091 -6.747 14.507) 16.036 40.819 ( -2.856 -26.142 -1.435) 26.337 ======================= Grid point 74 (32/100) ======================= q-point: (-0.17 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -13.730 17.071 12.028) 24.992 0.888 ( -21.507 17.581 7.655) 28.814 1.430 ( -37.015 25.000 11.885) 46.221 1.816 ( -4.039 5.262 1.429) 6.786 1.874 ( -0.257 5.642 -2.475) 6.166 2.337 ( 6.115 -0.752 -4.166) 7.437 2.418 ( 8.723 0.816 -4.928) 10.052 2.514 ( -2.576 3.225 3.384) 5.337 2.784 ( 0.080 -1.945 3.980) 4.431 3.048 ( 5.563 -2.532 -4.475) 7.575 3.263 ( 2.887 -4.849 -2.868) 6.330 3.328 ( 1.817 -6.139 -3.745) 7.417 3.564 ( -6.325 -10.543 3.290) 12.727 3.903 ( 0.687 -2.063 1.292) 2.529 4.081 ( 9.618 -5.181 21.378) 24.008 4.190 ( -2.392 -0.216 2.661) 3.585 4.224 ( -5.371 1.820 -7.942) 9.759 4.352 ( 8.324 0.276 1.392) 8.444 4.515 ( 3.180 5.601 1.270) 6.565 4.668 ( 3.284 3.336 -1.090) 4.806 4.694 ( 7.826 3.423 -0.024) 8.542 4.776 ( -3.418 1.618 -2.080) 4.315 4.870 ( 2.701 4.907 -0.683) 5.642 5.102 ( 10.482 2.180 4.352) 11.557 5.186 ( -8.689 -4.832 3.314) 10.480 5.213 ( -4.764 2.904 2.493) 6.111 5.493 ( -8.544 -6.613 6.077) 12.397 5.634 ( -13.018 -0.802 -6.910) 14.760 5.744 ( 0.382 3.085 -3.130) 4.412 5.917 ( 0.817 -3.899 10.487) 11.218 5.969 ( 5.687 0.237 -6.586) 8.705 6.188 ( -4.029 -0.699 3.786) 5.573 6.337 ( -4.344 -0.327 3.256) 5.439 6.514 ( -10.696 2.703 4.829) 12.042 6.573 ( -1.493 -4.535 0.544) 4.806 6.678 ( -5.386 -1.678 1.252) 5.778 6.715 ( -0.663 -1.277 -0.589) 1.555 6.758 ( -0.278 2.663 2.874) 3.928 6.899 ( -0.601 4.807 -2.203) 5.322 7.001 ( -3.091 2.783 2.364) 4.784 7.122 ( -3.020 7.577 2.811) 8.628 7.188 ( -4.468 4.836 -6.264) 9.088 7.406 ( -7.235 -3.835 2.823) 8.661 7.582 ( -9.649 2.116 1.275) 9.961 7.642 ( -1.850 -4.706 -5.853) 7.735 7.829 ( 4.410 -3.578 2.070) 6.044 7.915 ( -2.020 -1.660 -4.425) 5.140 8.044 ( 8.304 0.796 -6.678) 10.685 8.189 ( -1.067 -4.997 2.904) 5.877 8.315 ( 7.590 0.703 -3.080) 8.221 8.347 ( 0.738 -3.818 1.226) 4.077 8.507 ( 1.601 4.507 3.237) 5.776 8.567 ( 3.336 -3.678 3.008) 5.806 8.743 ( -4.261 -0.748 2.600) 5.048 8.810 ( 6.760 -4.862 -2.787) 8.781 8.920 ( 7.989 9.304 -6.469) 13.866 8.983 ( 1.003 5.991 -6.547) 8.931 9.132 ( 2.293 -4.349 3.277) 5.908 9.388 ( 5.177 -0.100 -8.214) 9.709 9.535 ( 0.976 -3.186 1.410) 3.618 9.591 ( -4.371 3.884 -5.902) 8.308 9.739 ( 4.727 2.164 2.456) 5.750 9.867 ( 0.416 1.495 -0.559) 1.650 10.092 ( 9.111 -3.511 -3.202) 10.275 10.268 ( 8.926 -3.877 4.561) 10.747 10.409 ( 5.320 -2.642 -2.160) 6.320 10.753 ( -3.174 6.727 -1.703) 7.631 10.920 ( 7.515 3.943 10.334) 13.372 11.421 ( -4.608 -5.022 -0.520) 6.836 11.580 ( -3.886 -0.680 3.295) 5.140 11.671 ( -0.337 -1.960 0.436) 2.036 11.939 ( -4.389 -12.657 16.745) 21.445 12.409 ( -3.692 -0.788 1.705) 4.142 12.601 ( -0.242 -3.400 -3.095) 4.604 12.641 ( 1.941 1.021 5.427) 5.854 12.708 ( 4.650 -2.668 1.365) 5.533 12.800 ( 3.377 2.638 1.116) 4.428 12.922 ( -1.711 -1.508 -1.384) 2.667 12.963 ( 2.818 -1.690 2.814) 4.326 13.035 ( -2.587 0.840 -6.521) 7.066 14.088 ( -3.829 1.780 -0.261) 4.231 14.210 ( 2.931 4.213 -2.957) 5.923 14.285 ( -4.598 2.983 0.424) 5.497 14.608 ( -11.217 1.263 -20.949) 23.796 15.000 ( 1.688 -0.582 2.067) 2.731 15.228 ( 0.415 -4.173 0.523) 4.226 15.343 ( 2.409 -4.101 1.539) 4.999 15.461 ( 1.087 -2.087 5.495) 5.978 15.584 ( -1.016 -1.262 -2.472) 2.956 15.815 ( -2.629 -2.785 2.923) 4.818 15.972 ( 10.259 -5.724 4.374) 12.536 16.147 ( -2.078 3.013 5.454) 6.569 16.222 ( -2.237 -3.350 -4.476) 6.022 16.392 ( 3.643 0.861 1.058) 3.890 16.466 ( 2.012 0.978 1.205) 2.541 16.577 ( -4.145 1.002 4.711) 6.354 16.883 ( 1.048 -1.960 -1.212) 2.532 16.990 ( 0.878 2.591 -3.331) 4.311 17.084 ( -0.465 1.790 2.843) 3.392 17.167 ( -2.370 3.752 2.145) 4.929 17.369 ( 1.285 -1.909 -4.223) 4.809 17.467 ( 3.509 -1.111 2.069) 4.222 17.554 ( 2.363 2.564 -3.933) 5.256 17.697 ( -3.528 -2.115 -0.648) 4.164 18.097 ( -2.127 -0.566 -2.149) 3.076 18.158 ( -4.420 1.946 -1.264) 4.992 18.369 ( 0.795 2.161 -2.857) 3.669 18.420 ( -4.598 -2.283 0.189) 5.136 18.740 ( 3.334 0.303 3.364) 4.745 18.910 ( -5.260 2.077 2.130) 6.043 18.947 ( 2.228 2.416 0.379) 3.308 19.111 ( 3.114 -1.601 -2.037) 4.051 20.862 ( -0.127 2.488 0.250) 2.504 20.917 ( 0.712 4.338 -0.004) 4.396 21.108 ( 1.448 2.310 -0.555) 2.783 21.333 ( 3.104 2.102 -2.181) 4.337 21.447 ( -0.795 -1.013 -0.657) 1.446 21.468 ( 3.432 7.294 -7.481) 10.997 21.532 ( 2.636 -0.584 2.441) 3.640 21.600 ( 4.537 3.095 1.299) 5.644 26.751 ( 0.460 0.709 0.974) 1.290 26.851 ( 0.494 0.410 -0.949) 1.146 26.881 ( -0.548 -0.642 0.122) 0.853 26.957 ( 0.289 -0.349 -0.464) 0.649 27.659 ( 0.157 0.086 0.064) 0.190 27.670 ( 0.015 0.087 -0.459) 0.467 27.734 ( -0.734 0.136 0.590) 0.951 27.750 ( -1.396 -0.316 -0.252) 1.454 35.597 ( -0.048 0.936 2.392) 2.569 35.798 ( 1.728 3.118 -3.566) 5.042 35.901 ( -0.366 -1.067 4.645) 4.780 36.090 ( 0.014 -0.083 -0.512) 0.519 36.867 ( -2.604 0.312 7.826) 8.254 37.091 ( -1.997 -1.601 2.597) 3.646 37.388 ( -2.141 2.250 2.370) 3.907 37.591 ( 5.815 0.750 -2.097) 6.227 37.662 ( 3.361 4.510 -1.579) 5.842 37.787 ( 1.539 0.054 -7.272) 7.433 38.067 ( -13.609 -3.090 6.111) 15.235 38.129 ( -2.164 -0.032 2.671) 3.438 38.528 ( -12.119 -18.569 1.949) 22.259 39.493 ( 9.271 -5.304 -1.679) 10.813 40.111 ( -6.795 -7.863 2.569) 10.705 40.477 ( -26.795 -27.121 -18.499) 42.376 ======================= Grid point 75 (33/100) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -2.800 21.770 9.246) 23.817 1.242 ( 1.892 22.844 11.816) 25.788 1.809 ( -0.449 25.299 11.125) 27.641 1.925 ( -2.242 9.848 -0.205) 10.102 2.058 ( 4.577 11.161 3.607) 12.591 2.321 ( 0.413 -4.076 -2.296) 4.696 2.516 ( 3.554 -0.285 -5.024) 6.160 2.551 ( 1.979 1.341 2.317) 3.330 2.738 ( -5.340 -1.903 4.886) 7.484 2.971 ( 2.891 -9.681 -2.781) 10.479 3.131 ( 2.419 -7.692 0.428) 8.075 3.137 ( -0.161 -4.864 -4.999) 6.977 3.476 ( -1.385 1.328 5.899) 6.203 3.901 ( -2.805 0.586 6.391) 7.004 4.109 ( -7.684 0.375 7.280) 10.592 4.197 ( -9.446 3.662 -5.050) 11.320 4.400 ( 8.193 -3.218 13.882) 16.438 4.411 ( -0.020 -2.749 1.352) 3.064 4.471 ( 2.202 1.095 4.990) 5.563 4.740 ( 2.763 2.275 -6.987) 7.851 4.830 ( 3.436 -3.393 0.144) 4.831 4.908 ( 3.312 2.981 3.947) 5.952 5.065 ( 5.091 3.789 6.027) 8.752 5.087 ( 5.086 -1.600 -3.009) 6.122 5.187 ( -6.950 0.719 -4.494) 8.308 5.212 ( -0.418 5.540 1.484) 5.751 5.303 ( -4.234 0.179 6.610) 7.852 5.500 ( 8.272 1.898 4.132) 9.439 5.714 ( -6.727 -2.482 0.840) 7.219 5.840 ( -2.224 -6.814 2.934) 7.745 5.999 ( -5.091 -2.473 1.700) 5.910 6.037 ( -0.086 -6.936 1.998) 7.219 6.252 ( -0.708 -1.400 -3.098) 3.472 6.436 ( -5.825 -0.954 -3.203) 6.715 6.561 ( -2.169 3.770 -4.802) 6.479 6.648 ( 3.059 -2.779 4.834) 6.360 6.754 ( -5.768 2.884 1.438) 6.607 6.802 ( 1.277 5.328 3.687) 6.604 6.956 ( -6.168 8.454 0.712) 10.489 7.096 ( 3.122 2.986 1.677) 4.633 7.210 ( 0.206 3.760 0.926) 3.878 7.290 ( 9.829 10.071 -9.603) 17.036 7.371 ( -2.014 4.626 4.575) 6.811 7.551 ( -2.602 2.262 0.605) 3.501 7.621 ( 0.296 3.215 3.364) 4.663 7.693 ( 0.777 -4.596 -2.502) 5.290 7.904 ( -1.631 -1.567 -5.113) 5.591 8.091 ( 2.055 -1.732 0.068) 2.688 8.137 ( -0.397 -5.161 2.358) 5.688 8.174 ( 1.137 -3.663 -4.111) 5.623 8.363 ( -0.541 -4.722 -2.158) 5.220 8.433 ( -2.880 -5.434 -1.701) 6.380 8.538 ( 0.002 -1.493 -0.177) 1.503 8.676 ( 3.797 -3.878 2.773) 6.095 8.752 ( 2.564 -2.390 -1.144) 3.687 8.970 ( -7.606 5.018 -2.486) 9.445 9.109 ( 4.258 -1.116 3.589) 5.679 9.353 ( 3.967 3.049 -12.910) 13.846 9.396 ( 4.816 3.095 -2.291) 6.166 9.479 ( -6.100 0.524 -3.201) 6.909 9.624 ( 2.741 9.935 -3.597) 10.915 9.803 ( 2.734 -1.240 -6.158) 6.851 9.816 ( -3.875 -3.174 -3.718) 6.238 10.068 ( 2.472 -6.539 -0.169) 6.993 10.219 ( -1.417 -8.298 -2.201) 8.701 10.407 ( -0.699 -2.254 -3.979) 4.626 10.815 ( -4.240 3.097 7.519) 9.171 11.025 ( -0.096 -3.194 1.884) 3.709 11.370 ( 1.668 3.634 -1.786) 4.380 11.466 ( -6.269 1.403 2.389) 6.854 11.622 ( 0.103 -2.432 -1.231) 2.728 11.693 ( -5.588 1.492 -5.894) 8.257 12.360 ( -1.415 0.205 1.022) 1.757 12.481 ( -1.003 -2.627 -3.093) 4.180 12.662 ( -0.467 -1.341 1.325) 1.943 12.671 ( 0.683 -2.509 -2.196) 3.404 12.728 ( -2.535 -1.712 -2.502) 3.952 12.926 ( 2.526 -0.954 5.306) 5.954 13.034 ( 3.220 -0.934 -1.276) 3.588 13.131 ( 3.206 -7.231 10.743) 13.341 14.101 ( 2.721 2.802 2.975) 4.910 14.316 ( 0.647 2.753 0.490) 2.870 14.459 ( -5.927 9.247 -1.283) 11.058 14.569 ( 13.441 7.014 -4.281) 15.753 14.994 ( -1.064 -1.845 1.534) 2.625 15.148 ( 2.434 -4.862 -5.186) 7.514 15.352 ( 0.940 -6.874 9.491) 11.757 15.488 ( -2.064 -2.139 10.568) 10.978 15.536 ( -0.838 -0.855 -1.234) 1.720 15.707 ( -2.620 -4.717 -2.929) 6.139 15.988 ( 0.727 -2.794 -0.447) 2.921 16.110 ( 1.243 -0.599 -0.279) 1.408 16.228 ( -3.318 4.313 3.351) 6.391 16.445 ( 1.361 -1.428 1.260) 2.341 16.491 ( -3.928 0.124 0.834) 4.018 16.550 ( -4.047 0.373 2.238) 4.639 16.865 ( 2.045 -1.359 -2.449) 3.468 16.995 ( -6.991 -4.478 -2.749) 8.746 17.105 ( 2.313 3.877 -0.591) 4.553 17.148 ( 3.647 1.295 1.031) 4.005 17.456 ( 4.317 0.795 2.501) 5.052 17.496 ( 0.310 -0.922 0.039) 0.973 17.572 ( -1.837 4.175 -2.320) 5.117 17.709 ( 0.657 3.072 2.323) 3.907 18.103 ( -2.238 3.083 -1.758) 4.196 18.127 ( 4.754 -0.699 -3.819) 6.138 18.268 ( -1.592 -2.763 -2.219) 3.886 18.343 ( 2.902 -3.028 -3.065) 5.195 18.793 ( -1.821 1.787 2.819) 3.802 18.914 ( -1.217 0.770 2.688) 3.049 19.031 ( -0.353 2.648 1.419) 3.025 19.118 ( 1.168 -1.882 0.626) 2.302 20.933 ( 0.201 4.219 0.859) 4.311 21.016 ( -0.428 5.769 0.330) 5.795 21.150 ( 0.456 1.369 -0.448) 1.511 21.360 ( 0.300 -0.080 0.496) 0.585 21.394 ( -0.201 -1.956 -1.608) 2.540 21.436 ( -0.547 -1.366 -2.549) 2.944 21.586 ( 0.246 0.475 -0.413) 0.675 21.702 ( 0.210 -0.221 -8.303) 8.309 26.781 ( -0.470 1.318 0.938) 1.685 26.862 ( -0.045 -0.021 -0.241) 0.246 26.878 ( 0.753 0.059 0.321) 0.821 26.945 ( 0.437 -0.885 -0.510) 1.111 27.656 ( -0.238 0.183 -0.478) 0.564 27.672 ( 0.289 0.175 -0.139) 0.366 27.721 ( -0.356 -0.227 0.048) 0.425 27.735 ( 0.205 -0.160 -0.109) 0.282 35.645 ( -1.209 2.246 3.373) 4.229 35.868 ( 2.274 3.378 -0.658) 4.125 35.969 ( 1.281 -4.667 7.241) 8.710 36.118 ( 2.882 -0.955 2.505) 3.937 36.981 ( 2.236 -4.532 14.777) 15.618 37.058 ( -0.003 -2.747 4.672) 5.419 37.429 ( -2.084 3.630 1.369) 4.404 37.638 ( 2.146 0.002 -6.393) 6.744 37.681 ( -2.099 -2.712 -2.582) 4.293 37.803 ( -2.800 -0.281 -1.701) 3.288 37.846 ( 2.274 2.515 -0.727) 3.468 37.946 ( -2.955 -2.142 -1.039) 3.795 38.305 ( -3.677 4.297 10.645) 12.054 39.336 ( 0.084 -13.401 -3.602) 13.877 39.852 ( 8.157 -0.847 -11.216) 13.894 40.016 ( -7.495 -3.928 -3.834) 9.290 ======================= Grid point 76 (34/100) ======================= q-point: ( 0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 2.935 14.638 12.585) 19.526 1.437 ( 9.341 16.097 8.480) 20.452 1.891 ( 1.150 8.689 -0.591) 8.785 1.982 ( 0.773 7.954 4.318) 9.083 2.195 ( 4.594 8.032 0.777) 9.285 2.323 ( 4.501 3.814 -1.819) 6.174 2.533 ( 4.485 -0.248 -3.677) 5.805 2.647 ( 3.182 2.198 6.660) 7.701 2.678 ( -5.409 -1.148 5.379) 7.714 2.956 ( -2.554 -5.644 -3.342) 7.039 3.086 ( 0.028 -4.180 -2.082) 4.670 3.221 ( 4.466 -4.077 1.283) 6.182 3.533 ( 0.586 3.036 5.575) 6.375 3.860 ( -5.661 -0.458 0.416) 5.695 3.995 ( -3.354 1.173 5.084) 6.202 4.097 ( -4.947 0.380 7.124) 8.681 4.309 ( -9.807 -1.794 -2.812) 10.358 4.492 ( -3.905 2.033 4.582) 6.354 4.547 ( -1.467 3.846 2.718) 4.933 4.799 ( -0.592 0.695 0.167) 0.928 4.855 ( -6.408 -1.318 -10.851) 12.670 4.974 ( 6.121 2.448 1.077) 6.680 5.103 ( 8.852 -1.254 -2.108) 9.186 5.146 ( 6.727 5.810 4.056) 9.770 5.239 ( -0.954 2.468 10.875) 11.192 5.299 ( 2.665 -0.740 11.400) 11.731 5.421 ( 10.109 2.006 5.967) 11.909 5.617 ( -2.691 -4.623 2.539) 5.921 5.709 ( 7.185 -6.249 -1.062) 9.582 5.853 ( 0.579 -3.449 -5.188) 6.257 5.941 ( -2.797 -2.115 2.173) 4.125 6.079 ( 3.615 -6.412 -3.726) 8.250 6.262 ( 8.037 -3.518 1.802) 8.956 6.406 ( 1.899 1.191 -4.547) 5.069 6.498 ( 3.069 -0.917 -3.441) 4.701 6.615 ( -4.745 7.573 1.242) 9.023 6.700 ( -3.979 0.948 6.219) 7.443 6.826 ( -5.931 8.630 6.077) 12.108 6.876 ( 2.354 2.770 -2.615) 4.478 7.169 ( 1.740 1.532 3.390) 4.107 7.198 ( -2.659 2.261 0.473) 3.523 7.388 ( -0.300 6.640 5.469) 8.607 7.403 ( 4.995 9.156 -6.189) 12.128 7.535 ( -0.920 -2.852 -3.125) 4.330 7.627 ( 5.993 2.722 1.790) 6.821 7.806 ( 3.218 -0.435 0.724) 3.327 7.869 ( 3.408 -4.023 -0.684) 5.317 8.026 ( -4.745 -7.579 2.017) 9.167 8.173 ( 6.855 -2.111 -0.274) 7.178 8.204 ( -4.819 1.802 -2.047) 5.537 8.337 ( 4.101 -4.568 -2.031) 6.466 8.364 ( -1.621 -2.513 -0.362) 3.012 8.523 ( -0.614 1.898 -3.035) 3.631 8.758 ( -0.808 -1.694 -3.880) 4.310 8.777 ( -2.983 4.454 -1.002) 5.453 8.811 ( -0.346 -2.818 1.222) 3.091 9.169 ( -6.393 5.944 -10.114) 13.360 9.192 ( 0.454 -1.469 -0.017) 1.538 9.287 ( -5.772 9.761 -2.090) 11.531 9.468 ( -0.918 -3.039 -0.707) 3.253 9.628 ( -1.260 1.234 -6.709) 6.937 9.661 ( -4.062 -2.175 -3.132) 5.571 9.736 ( -4.247 -3.895 -5.107) 7.700 10.074 ( -3.585 -5.345 2.530) 6.915 10.125 ( -3.423 -5.400 -3.393) 7.238 10.315 ( -4.511 -4.516 -2.904) 7.012 10.808 ( -2.115 3.483 5.346) 6.722 11.035 ( -0.368 2.136 1.955) 2.919 11.362 ( -1.071 -0.368 -1.128) 1.598 11.411 ( 0.534 4.771 -1.847) 5.144 11.580 ( -1.079 0.634 -2.541) 2.833 11.636 ( 0.135 -1.815 0.459) 1.877 12.369 ( 1.092 -0.029 0.792) 1.350 12.450 ( 0.355 -1.488 -1.212) 1.952 12.615 ( -1.344 3.101 -2.127) 3.993 12.677 ( -0.210 -3.516 -0.081) 3.524 12.730 ( 1.457 -4.249 1.150) 4.636 13.018 ( -0.060 -4.268 4.504) 6.205 13.113 ( 4.988 -2.159 -0.385) 5.449 13.224 ( 2.922 -3.491 3.905) 5.998 14.200 ( 2.652 4.479 2.090) 5.609 14.306 ( -2.059 3.035 -0.614) 3.719 14.409 ( 2.740 6.570 0.538) 7.139 14.769 ( 10.903 2.320 -8.058) 13.754 14.964 ( -3.091 -2.103 1.996) 4.238 15.147 ( 1.287 -4.297 -2.099) 4.953 15.395 ( -3.319 -8.139 4.964) 10.095 15.503 ( -9.492 -7.639 9.355) 15.362 15.531 ( -2.428 -2.507 3.301) 4.804 15.614 ( -1.338 -2.528 -3.337) 4.395 15.979 ( 0.651 -1.747 -2.425) 3.059 16.119 ( 0.465 0.101 -2.297) 2.346 16.208 ( -3.327 6.552 6.074) 9.534 16.400 ( -1.746 1.075 -2.824) 3.490 16.472 ( -1.382 0.391 1.599) 2.149 16.501 ( -4.607 -2.322 4.001) 6.529 16.843 ( -1.737 -1.772 -1.414) 2.856 16.916 ( 1.194 -3.367 -3.106) 4.733 17.140 ( 0.794 1.231 -0.253) 1.486 17.221 ( 4.242 2.471 -1.812) 5.233 17.438 ( -5.955 0.900 0.557) 6.048 17.478 ( -2.050 -0.667 4.563) 5.047 17.583 ( 1.430 4.358 -2.604) 5.274 17.753 ( 2.883 2.260 2.161) 4.253 18.104 ( 6.308 1.532 -5.535) 8.530 18.165 ( 1.684 0.319 0.150) 1.720 18.309 ( 5.665 -1.542 -1.720) 6.118 18.403 ( 5.872 -2.211 -2.519) 6.761 18.757 ( -3.469 3.240 1.828) 5.087 18.913 ( -1.397 -0.547 -0.395) 1.552 19.036 ( -0.728 1.274 2.904) 3.253 19.129 ( -1.418 -1.711 1.987) 2.981 20.951 ( 0.390 4.545 1.547) 4.817 21.008 ( -0.433 5.697 -0.259) 5.720 21.136 ( -1.780 1.721 -0.691) 2.571 21.343 ( -0.507 3.206 -6.110) 6.919 21.367 ( -0.384 -0.156 1.129) 1.203 21.426 ( 1.055 -1.522 -0.151) 1.858 21.573 ( -1.055 -0.852 -0.234) 1.376 21.605 ( -2.526 -0.058 -2.827) 3.792 26.771 ( -1.462 1.193 0.861) 2.074 26.863 ( 0.193 -0.643 0.143) 0.686 26.891 ( 0.412 0.362 0.126) 0.563 26.949 ( 0.446 -0.547 -0.586) 0.918 27.650 ( -0.036 0.431 -0.154) 0.459 27.674 ( 0.300 0.595 -0.552) 0.865 27.725 ( 0.687 -0.402 0.045) 0.797 27.749 ( 1.157 -0.501 0.135) 1.268 35.644 ( -2.013 2.447 2.669) 4.143 35.919 ( 3.265 4.654 -0.145) 5.686 36.006 ( -2.974 -5.319 4.670) 7.678 36.204 ( 2.762 -0.518 2.721) 3.912 37.058 ( -2.575 -2.177 6.713) 7.512 37.132 ( -5.764 -4.842 12.901) 14.936 37.408 ( -0.344 2.353 -1.189) 2.659 37.551 ( -4.680 0.383 -3.720) 5.990 37.610 ( -1.930 0.836 -5.726) 6.100 37.826 ( 7.650 -0.197 -4.375) 8.815 37.992 ( 7.292 -1.781 0.254) 7.511 38.078 ( 20.066 -9.438 -1.255) 22.210 38.335 ( -3.979 7.068 11.357) 13.956 39.295 ( 1.479 -11.168 -4.136) 12.001 39.776 ( -10.466 -0.694 -9.230) 13.972 40.027 ( 15.370 -10.443 -5.102) 19.270 ======================= Grid point 77 (35/100) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 4.125 5.440 8.764) 11.109 1.690 ( 10.081 6.321 2.668) 12.194 1.928 ( -2.551 4.139 0.980) 4.960 1.959 ( -1.415 8.425 3.858) 9.374 2.183 ( 0.230 0.121 -8.011) 8.015 2.331 ( 0.813 4.758 -8.286) 9.590 2.516 ( -5.231 -1.567 2.078) 5.843 2.685 ( 1.888 -0.834 -1.450) 2.522 2.810 ( 4.435 0.939 8.298) 9.455 2.881 ( -2.021 0.316 -1.577) 2.583 3.123 ( 4.873 0.805 0.490) 4.964 3.280 ( 0.947 -1.899 -2.068) 2.963 3.565 ( -0.962 -0.650 3.039) 3.254 3.857 ( 2.473 3.608 7.081) 8.323 4.008 ( -9.393 2.286 0.446) 9.677 4.041 ( -2.531 -3.159 1.036) 4.179 4.138 ( 0.362 3.307 1.494) 3.647 4.351 ( -9.445 6.355 -1.138) 11.440 4.526 ( -8.889 3.579 3.241) 10.115 4.585 ( -8.659 4.506 4.939) 10.940 4.850 ( 7.313 5.038 -6.992) 11.303 5.086 ( 4.324 3.395 -5.494) 7.772 5.224 ( 6.052 -3.552 -0.113) 7.018 5.247 ( -1.733 0.327 -1.678) 2.434 5.311 ( -0.046 -0.293 3.949) 3.960 5.427 ( 2.140 -3.791 -3.417) 5.534 5.589 ( 9.519 2.406 5.087) 11.058 5.638 ( -4.998 1.242 1.886) 5.484 5.759 ( -2.747 -4.354 2.464) 5.707 5.853 ( 8.122 -4.813 3.490) 10.065 5.952 ( 3.029 -0.044 -4.705) 5.596 6.139 ( 3.953 -2.381 1.681) 4.911 6.353 ( -0.291 -4.171 2.302) 4.773 6.420 ( 1.838 4.114 -2.505) 5.155 6.570 ( -3.509 6.910 2.914) 8.280 6.618 ( 4.366 -2.581 0.915) 5.154 6.713 ( 3.825 4.466 8.123) 10.028 6.902 ( 0.719 -4.256 0.215) 4.321 6.926 ( 6.744 1.759 8.041) 10.641 7.099 ( -7.198 -1.126 3.659) 8.153 7.191 ( -8.318 2.594 -4.405) 9.763 7.333 ( 5.947 1.324 1.596) 6.298 7.483 ( 3.403 2.196 1.629) 4.366 7.624 ( 2.592 -0.697 -0.263) 2.697 7.712 ( 5.558 3.852 0.521) 6.783 7.798 ( 0.142 1.469 -1.014) 1.790 7.931 ( -0.092 -5.208 0.156) 5.211 8.013 ( -3.058 -3.578 0.019) 4.707 8.124 ( 1.944 -3.459 5.416) 6.714 8.273 ( -3.967 -0.511 -7.283) 8.309 8.302 ( 2.014 -2.684 2.733) 4.328 8.428 ( -0.573 6.287 -8.650) 10.708 8.494 ( 2.881 2.476 -2.439) 4.514 8.626 ( 4.939 2.541 -4.470) 7.130 8.724 ( -2.501 1.807 1.282) 3.341 8.886 ( 4.342 1.866 1.646) 5.004 8.982 ( -7.685 1.285 -3.272) 8.450 9.087 ( -1.709 1.198 -9.293) 9.524 9.250 ( -2.100 2.858 1.492) 3.848 9.413 ( -1.756 3.159 0.149) 3.618 9.431 ( -8.133 -2.416 -5.502) 10.112 9.593 ( -3.495 -7.494 0.066) 8.269 9.696 ( 0.754 -3.579 2.496) 4.428 9.988 ( -6.631 -4.812 2.646) 8.610 10.068 ( -1.306 -5.065 -2.046) 5.617 10.204 ( -3.740 -4.700 -2.280) 6.425 10.848 ( 1.547 4.399 2.125) 5.124 11.032 ( -1.691 4.231 1.195) 4.710 11.353 ( 0.596 -3.088 0.573) 3.197 11.421 ( 1.630 2.550 0.431) 3.057 11.557 ( -0.158 0.157 -0.095) 0.242 11.653 ( 0.186 -1.060 1.871) 2.159 12.400 ( 1.752 -0.688 -0.010) 1.882 12.471 ( 1.017 -0.480 1.964) 2.263 12.586 ( -0.081 2.924 -1.189) 3.157 12.662 ( -2.235 -1.078 1.887) 3.117 12.772 ( 2.789 -5.176 -1.262) 6.014 13.017 ( -1.047 -4.355 -1.170) 4.630 13.155 ( 2.276 -2.330 -3.298) 4.635 13.333 ( 2.422 -3.198 1.528) 4.293 14.195 ( -1.232 6.786 -1.179) 6.997 14.304 ( -0.668 2.484 2.122) 3.334 14.517 ( 8.846 1.319 -1.712) 9.106 14.781 ( 0.137 0.314 -9.067) 9.074 14.946 ( -0.795 -1.996 1.220) 2.471 15.160 ( 1.070 -3.710 0.189) 3.866 15.362 ( -9.040 -9.390 9.921) 16.381 15.369 ( -5.163 -5.210 -1.033) 7.407 15.481 ( -2.122 -1.172 -0.362) 2.451 15.598 ( -1.487 -1.350 2.981) 3.594 15.948 ( -0.186 0.554 -4.630) 4.667 16.123 ( 3.708 -1.851 -4.459) 6.088 16.218 ( -3.520 7.405 8.813) 12.037 16.373 ( -1.623 -1.164 -0.346) 2.027 16.432 ( -2.861 1.994 0.232) 3.495 16.451 ( -2.107 0.475 1.885) 2.867 16.846 ( 1.417 -2.206 2.022) 3.311 16.909 ( 0.450 -4.153 -1.911) 4.594 17.136 ( 0.406 1.436 -1.443) 2.076 17.260 ( 2.428 2.370 -3.289) 4.726 17.343 ( -4.565 0.597 1.635) 4.885 17.519 ( 0.539 2.409 3.929) 4.640 17.537 ( -2.596 1.210 -0.274) 2.878 17.819 ( 1.891 0.551 -0.607) 2.061 18.194 ( 7.163 1.288 -4.020) 8.314 18.230 ( 5.980 1.682 -2.173) 6.581 18.374 ( 0.789 0.121 2.283) 2.419 18.490 ( 4.985 -1.069 -1.789) 5.403 18.711 ( -3.823 2.657 1.930) 5.040 18.858 ( -0.159 -0.417 -5.388) 5.406 19.057 ( -0.549 -0.336 2.823) 2.896 19.107 ( -3.201 -0.754 2.662) 4.231 20.969 ( -0.264 5.096 1.277) 5.260 20.999 ( -0.002 5.607 -0.604) 5.639 21.088 ( -1.458 2.208 -0.596) 2.712 21.298 ( 0.537 3.121 -3.280) 4.559 21.372 ( -0.346 -0.205 1.533) 1.585 21.461 ( 2.496 -0.672 0.191) 2.592 21.549 ( -2.209 -1.196 -0.700) 2.607 21.553 ( -0.894 -1.440 -0.140) 1.701 26.750 ( -1.466 1.207 0.852) 2.082 26.869 ( 0.421 -0.875 -0.217) 0.995 26.895 ( -0.106 0.205 -0.015) 0.231 26.951 ( 0.431 -0.417 -0.733) 0.947 27.651 ( 0.095 0.745 0.040) 0.752 27.675 ( 0.362 0.844 -0.441) 1.018 27.742 ( 0.806 -0.303 0.125) 0.870 27.771 ( 0.899 -1.019 0.081) 1.361 35.626 ( -1.898 2.500 1.568) 3.508 35.965 ( 1.193 3.831 -1.383) 4.245 35.976 ( -2.506 -3.289 1.727) 4.481 36.251 ( 0.744 0.541 -0.658) 1.131 37.045 ( -5.103 -0.426 5.938) 7.841 37.131 ( -3.874 -1.871 6.755) 8.009 37.386 ( 1.089 0.703 -3.766) 3.982 37.447 ( -1.166 0.920 -3.314) 3.632 37.565 ( -0.128 5.213 -0.494) 5.237 37.907 ( 6.939 1.918 -6.325) 9.583 38.116 ( 3.167 -0.338 1.237) 3.417 38.313 ( -0.310 -1.051 8.259) 8.331 38.488 ( 12.210 -11.323 0.962) 16.680 39.292 ( -1.396 -15.250 -5.666) 16.328 39.537 ( -2.796 2.500 -1.885) 4.197 40.248 ( 10.681 -17.740 -1.828) 20.787 ======================= Grid point 78 (36/100) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -8.639 4.109 3.310) 10.123 1.771 ( -4.840 4.583 -3.937) 7.742 1.867 ( -0.855 3.839 -0.545) 3.971 1.905 ( -3.158 4.233 1.864) 5.601 2.207 ( 8.968 4.282 -5.533) 11.375 2.265 ( 1.359 2.546 -7.224) 7.780 2.506 ( 1.368 -2.309 4.972) 5.650 2.684 ( 0.200 -0.440 -1.971) 2.029 2.798 ( -5.654 3.194 -2.513) 6.963 2.950 ( 3.222 0.521 5.805) 6.659 3.134 ( -4.218 1.487 -6.152) 7.605 3.243 ( 0.604 -1.946 -3.038) 3.658 3.584 ( -0.083 -0.646 4.120) 4.171 3.773 ( -10.099 3.962 -0.276) 10.852 4.022 ( -1.089 -1.720 2.011) 2.862 4.054 ( 5.611 -5.267 3.108) 8.300 4.165 ( -3.010 1.955 0.912) 3.703 4.282 ( 5.496 10.186 3.890) 12.210 4.434 ( -0.083 5.085 -0.638) 5.125 4.513 ( -6.105 8.767 8.962) 13.944 4.909 ( 1.265 8.107 -6.624) 10.545 5.044 ( 2.602 -1.569 -7.615) 8.198 5.081 ( -2.611 4.371 -6.561) 8.305 5.202 ( -5.032 3.819 -9.275) 11.222 5.361 ( 0.039 -0.458 -4.938) 4.959 5.460 ( 0.606 -0.936 5.636) 5.746 5.575 ( -3.960 0.746 1.355) 4.251 5.702 ( -3.953 -1.429 1.192) 4.369 5.788 ( -2.441 -8.142 -1.017) 8.560 5.867 ( 4.652 1.149 7.017) 8.497 5.972 ( -0.544 1.663 -5.246) 5.530 6.233 ( -2.382 0.860 0.220) 2.542 6.348 ( 2.950 0.677 7.078) 7.698 6.530 ( -0.508 -1.241 4.851) 5.033 6.612 ( 10.292 0.406 6.327) 12.088 6.693 ( 2.772 -0.573 1.983) 3.456 6.801 ( -12.501 5.788 2.141) 13.941 6.918 ( 2.779 -1.870 5.407) 6.361 6.945 ( -0.678 -2.307 5.299) 5.819 7.034 ( -3.466 -4.934 7.776) 9.840 7.195 ( -1.008 1.544 -4.055) 4.455 7.370 ( -2.235 -0.073 2.141) 3.096 7.468 ( -1.656 -1.428 -1.233) 2.510 7.607 ( -4.229 -2.638 -3.378) 6.021 7.720 ( -2.189 2.903 -5.429) 6.534 7.832 ( 3.486 1.487 -3.512) 5.167 7.951 ( 2.496 -5.630 3.689) 7.179 7.976 ( 0.932 0.514 -0.937) 1.418 8.054 ( -7.351 -4.019 -5.647) 10.103 8.221 ( -0.741 3.039 -4.691) 5.638 8.328 ( 7.826 -5.437 5.100) 10.808 8.429 ( -1.896 6.063 -3.184) 7.106 8.546 ( 7.645 6.844 0.742) 10.288 8.632 ( 2.272 -0.962 -3.639) 4.396 8.778 ( 5.693 5.995 1.643) 8.429 8.905 ( -2.105 -0.677 2.115) 3.060 8.989 ( -7.558 -4.285 0.837) 8.729 9.068 ( -0.764 0.673 -7.734) 7.801 9.151 ( 14.930 1.137 2.063) 15.115 9.308 ( -2.734 1.958 -3.835) 5.101 9.450 ( 1.322 -2.744 4.003) 5.030 9.612 ( 3.470 -5.124 4.828) 7.849 9.728 ( -0.406 -3.162 2.018) 3.773 9.910 ( -1.683 -2.693 -0.179) 3.181 10.046 ( 0.187 -4.619 -0.370) 4.638 10.155 ( 1.668 -4.099 -2.346) 5.008 10.877 ( -0.541 4.909 1.310) 5.109 11.001 ( -1.541 5.562 -0.985) 5.855 11.392 ( 0.758 -4.183 3.699) 5.635 11.481 ( 2.088 0.583 4.371) 4.879 11.570 ( 0.990 -1.042 1.164) 1.850 11.672 ( -0.934 -0.894 3.391) 3.629 12.440 ( 2.045 -1.587 1.128) 2.824 12.499 ( -1.647 -0.424 3.657) 4.034 12.586 ( 0.935 1.728 -0.780) 2.114 12.638 ( -1.698 0.951 1.636) 2.542 12.798 ( 1.222 -5.331 -1.546) 5.684 12.965 ( -1.248 -3.707 -5.190) 6.499 13.147 ( 0.836 -1.903 -4.601) 5.049 13.279 ( -4.520 -2.220 -7.098) 8.703 14.183 ( 1.126 5.615 -0.561) 5.754 14.289 ( -2.497 3.387 0.822) 4.288 14.640 ( -2.260 0.887 -7.039) 7.446 14.687 ( 6.905 -3.034 -2.808) 8.048 14.942 ( -0.646 -0.885 0.914) 1.427 15.175 ( -1.052 -4.908 1.430) 5.220 15.284 ( -3.183 -2.531 4.037) 5.730 15.321 ( -1.737 -6.148 0.934) 6.457 15.502 ( 2.892 -2.382 1.822) 4.166 15.605 ( -1.165 -1.635 4.096) 4.562 15.902 ( 0.925 2.506 -6.197) 6.748 16.153 ( 3.764 -0.140 -3.904) 5.425 16.237 ( -4.518 2.847 8.847) 10.334 16.312 ( -2.391 -0.781 0.595) 2.585 16.390 ( -0.295 2.304 -0.680) 2.420 16.503 ( 3.453 0.303 1.729) 3.873 16.867 ( -1.131 -2.314 1.233) 2.855 16.938 ( 2.024 -3.253 2.934) 4.826 17.129 ( 0.717 1.432 -2.645) 3.092 17.253 ( 0.242 3.732 -2.635) 4.575 17.309 ( -0.773 0.155 1.587) 1.773 17.465 ( -3.034 2.458 -0.429) 3.928 17.584 ( 0.479 0.646 3.644) 3.732 17.806 ( -0.881 -0.251 -3.151) 3.282 18.269 ( 2.764 -0.284 -2.830) 3.966 18.281 ( 1.495 1.511 -3.037) 3.707 18.407 ( 0.486 3.008 3.088) 4.338 18.536 ( -1.197 -0.653 2.143) 2.540 18.647 ( -1.990 2.359 -0.346) 3.106 18.848 ( 5.681 -1.008 -7.034) 9.097 19.056 ( -2.369 -0.160 2.163) 3.212 19.071 ( -2.796 -0.103 2.098) 3.497 20.958 ( -1.132 4.834 -0.163) 4.967 20.997 ( 0.409 5.513 -0.565) 5.557 21.092 ( 0.882 2.042 1.583) 2.730 21.293 ( 1.706 1.968 -2.171) 3.390 21.389 ( 0.445 0.251 2.373) 2.427 21.496 ( -2.165 -0.787 -0.550) 2.368 21.517 ( 2.358 -0.338 0.227) 2.393 21.538 ( -0.369 -1.524 -0.585) 1.673 26.740 ( -0.439 1.341 0.954) 1.703 26.873 ( 0.450 -0.674 -0.645) 1.036 26.887 ( -0.614 -0.078 -0.259) 0.671 26.950 ( 0.267 -0.542 -0.846) 1.040 27.653 ( 0.049 0.734 0.084) 0.740 27.680 ( 0.361 0.804 -0.165) 0.897 27.752 ( -0.051 -0.036 0.217) 0.226 27.779 ( -0.096 -1.292 -0.103) 1.300 35.610 ( -1.084 2.404 1.082) 2.850 35.924 ( -1.951 -2.217 -1.388) 3.263 35.957 ( -0.861 3.061 -2.815) 4.246 36.217 ( -1.370 0.759 -4.520) 4.783 36.995 ( -5.147 0.653 3.855) 6.463 37.113 ( -3.581 -1.605 3.927) 5.551 37.399 ( 3.467 1.068 -1.959) 4.122 37.464 ( 4.309 0.381 -0.278) 4.335 37.567 ( -0.504 6.584 1.282) 6.726 37.968 ( 6.320 4.304 -7.492) 10.705 38.124 ( -3.141 3.037 2.856) 5.219 38.340 ( -6.016 -5.158 7.702) 11.050 38.586 ( -2.120 -10.591 -2.581) 11.105 39.155 ( 2.410 -11.629 -11.394) 16.458 39.683 ( 6.595 -5.696 12.925) 15.588 40.367 ( 2.827 -21.388 -0.417) 21.578 ======================= Grid point 79 (37/100) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -15.121 14.574 0.194) 21.002 1.539 ( -14.442 12.794 -2.238) 19.423 1.888 ( 2.437 2.777 0.745) 3.769 1.910 ( -0.591 3.422 3.210) 4.729 2.258 ( 3.652 1.878 -4.433) 6.042 2.320 ( 7.902 3.015 -7.942) 11.602 2.504 ( -17.428 10.278 0.912) 20.254 2.634 ( -1.308 2.923 0.362) 3.223 2.671 ( 1.013 -1.016 -0.032) 1.435 2.981 ( 0.334 0.220 -3.351) 3.375 3.080 ( 2.123 -5.117 1.532) 5.748 3.216 ( -0.036 -5.665 -2.774) 6.307 3.604 ( -7.818 2.132 -2.144) 8.382 3.692 ( 4.962 -1.606 10.618) 11.830 3.914 ( -4.149 -1.046 -1.083) 4.414 4.113 ( 1.577 -6.328 0.356) 6.531 4.277 ( 4.186 -0.216 5.087) 6.592 4.382 ( 1.143 7.295 -1.525) 7.539 4.495 ( 6.901 3.059 -1.174) 7.640 4.613 ( 6.786 7.588 9.825) 14.148 4.811 ( -2.412 7.769 -3.163) 8.728 4.887 ( -6.867 7.685 -12.230) 15.993 5.067 ( 1.363 0.928 -8.612) 8.769 5.111 ( 0.541 6.751 0.633) 6.802 5.279 ( -2.826 2.058 0.491) 3.530 5.350 ( -11.416 2.686 -1.087) 11.778 5.539 ( -3.837 -1.065 2.562) 4.735 5.632 ( -4.793 -8.221 6.019) 11.260 5.734 ( -3.150 -6.782 -4.002) 8.482 5.897 ( -3.340 -1.696 0.158) 3.749 5.959 ( 0.054 2.180 0.171) 2.187 6.223 ( 1.562 -1.429 -2.805) 3.514 6.419 ( -2.871 6.694 4.810) 8.728 6.574 ( -1.754 -2.932 3.371) 4.800 6.613 ( -2.320 -0.867 5.813) 6.319 6.722 ( -4.888 1.518 8.045) 9.535 6.795 ( -11.985 2.690 3.393) 12.744 6.871 ( -2.817 -0.206 4.938) 5.689 6.950 ( -6.550 -1.501 0.437) 6.734 7.024 ( 1.524 2.546 2.200) 3.694 7.157 ( 7.025 2.160 -2.579) 7.789 7.305 ( -7.667 -5.211 2.176) 9.522 7.465 ( 6.088 0.791 0.857) 6.199 7.552 ( -3.309 -0.408 -3.136) 4.577 7.737 ( 4.054 -4.751 -0.359) 6.255 7.768 ( -1.489 -5.092 -8.192) 9.760 7.895 ( -2.631 5.491 0.852) 6.149 7.951 ( -1.064 -3.832 -1.660) 4.310 8.144 ( 6.854 -0.137 4.139) 8.008 8.181 ( 1.581 1.317 -2.596) 3.313 8.364 ( -0.055 0.023 -2.637) 2.638 8.456 ( 4.441 2.113 -1.506) 5.144 8.575 ( -8.113 0.798 -2.350) 8.484 8.709 ( 4.843 3.743 0.540) 6.145 8.795 ( -7.849 -3.620 -1.185) 8.725 8.843 ( 2.774 -6.076 5.675) 8.765 9.026 ( 10.011 3.947 -0.853) 10.795 9.085 ( 4.828 0.896 -3.157) 5.838 9.254 ( 3.707 1.380 -3.963) 5.600 9.462 ( 7.564 -3.623 -2.061) 8.636 9.538 ( 9.412 -0.492 3.681) 10.119 9.725 ( -0.029 0.255 1.263) 1.288 9.770 ( 5.133 -4.310 5.329) 8.563 9.917 ( 2.497 -2.040 -1.108) 3.410 10.082 ( 5.228 -0.543 -0.711) 5.304 10.229 ( 7.244 -4.833 -1.342) 8.811 10.863 ( -2.879 3.538 3.563) 5.788 10.964 ( -0.264 5.649 -2.631) 6.238 11.418 ( -1.714 -2.226 2.509) 3.767 11.552 ( -1.540 -1.703 6.239) 6.649 11.606 ( 1.546 -2.880 -0.321) 3.284 11.715 ( 1.317 -1.056 8.032) 8.208 12.465 ( -4.410 0.393 3.071) 5.389 12.496 ( 1.069 -4.033 2.160) 4.698 12.601 ( 1.469 -1.028 -0.777) 1.954 12.643 ( 0.267 2.889 1.987) 3.516 12.798 ( 0.214 -3.762 0.477) 3.798 12.878 ( -1.090 -2.750 -6.591) 7.224 13.076 ( -3.586 0.457 -7.222) 8.077 13.122 ( -2.021 -2.208 -7.091) 7.697 14.218 ( -1.170 1.392 -1.355) 2.268 14.239 ( 0.873 7.435 0.889) 7.539 14.483 ( -6.302 1.631 -3.793) 7.534 14.776 ( 4.538 -2.093 -7.679) 9.162 14.940 ( -0.631 -1.191 1.387) 1.934 15.149 ( -1.632 -4.552 0.712) 4.888 15.284 ( 0.351 -4.355 -3.779) 5.777 15.341 ( 0.092 -2.469 8.074) 8.444 15.560 ( 0.078 -3.442 2.106) 4.036 15.674 ( 4.304 -3.384 4.653) 7.185 15.863 ( 1.794 3.880 -6.281) 7.598 16.176 ( 0.826 -4.272 -3.293) 5.457 16.218 ( -2.052 4.838 4.796) 7.114 16.329 ( 1.851 0.050 1.507) 2.388 16.421 ( 2.776 2.125 1.970) 4.012 16.573 ( 0.703 -0.539 3.886) 3.986 16.859 ( -0.780 -0.725 0.632) 1.239 17.000 ( 1.331 -0.902 2.710) 3.151 17.111 ( 0.454 0.884 -2.536) 2.724 17.239 ( -1.005 3.269 1.443) 3.711 17.345 ( 3.617 -1.376 -0.540) 3.908 17.402 ( -3.400 0.793 -0.228) 3.499 17.607 ( 0.295 2.175 -0.195) 2.204 17.746 ( -1.300 -0.602 -3.904) 4.159 18.185 ( -4.947 0.465 -2.938) 5.772 18.282 ( -1.538 0.947 -1.114) 2.122 18.416 ( -1.976 1.522 0.456) 2.536 18.478 ( -5.235 -0.997 1.135) 5.449 18.676 ( 3.565 2.335 0.480) 4.288 18.915 ( 6.423 -1.024 -4.446) 7.878 19.015 ( -3.788 1.432 2.196) 4.607 19.055 ( -0.439 -0.159 1.481) 1.553 20.937 ( -0.773 4.313 -0.179) 4.386 21.003 ( 0.620 5.543 -0.134) 5.579 21.125 ( 0.947 1.594 0.934) 2.076 21.317 ( 2.460 0.705 -1.555) 2.994 21.444 ( 2.184 0.032 2.948) 3.669 21.446 ( -2.097 -1.898 -0.313) 2.846 21.523 ( 0.995 0.342 -1.711) 2.009 21.577 ( 3.394 1.423 0.067) 3.681 26.751 ( 0.542 1.454 1.038) 1.867 26.870 ( -0.638 -0.012 -0.465) 0.789 26.873 ( 0.253 -0.366 -0.677) 0.810 26.946 ( 0.205 -0.792 -0.791) 1.138 27.656 ( 0.126 0.406 0.276) 0.507 27.681 ( -0.012 0.481 -0.393) 0.621 27.746 ( -0.770 -0.020 0.372) 0.855 27.767 ( -1.011 -0.928 -0.227) 1.391 35.610 ( -0.314 2.214 1.608) 2.754 35.879 ( -0.624 -0.703 -2.655) 2.816 35.902 ( -1.655 1.849 -2.324) 3.400 36.136 ( -1.752 0.039 -4.812) 5.122 36.930 ( -5.191 1.060 2.890) 6.035 37.079 ( -3.220 -1.976 2.570) 4.569 37.456 ( 1.896 3.189 0.258) 3.719 37.541 ( 1.370 2.154 2.467) 3.550 37.608 ( 6.604 2.086 -1.402) 7.066 37.950 ( -0.493 5.587 -9.557) 11.082 38.101 ( -3.218 -0.230 4.322) 5.393 38.231 ( -11.187 -2.391 6.803) 13.310 38.439 ( -8.950 -10.238 -1.439) 13.675 39.190 ( 8.197 -12.984 -5.982) 16.479 39.909 ( 3.660 -7.202 10.406) 13.174 40.330 ( -5.672 -21.407 -2.335) 22.269 ======================= Grid point 80 (38/100) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -2.840 23.615 7.972) 25.085 1.264 ( -13.054 20.383 2.837) 24.371 1.915 ( -5.085 12.089 5.557) 14.244 1.951 ( -1.220 11.994 4.564) 12.891 2.042 ( -15.035 15.818 -2.912) 22.017 2.304 ( 3.798 -2.972 -3.687) 6.070 2.431 ( 7.184 -0.171 -4.749) 8.613 2.581 ( -3.755 3.246 0.863) 5.038 2.739 ( 1.137 -2.272 3.446) 4.281 2.970 ( 1.047 -5.383 -3.763) 6.651 3.111 ( 0.458 -10.092 -0.691) 10.126 3.188 ( 0.202 -7.142 -4.149) 8.262 3.479 ( -3.816 1.780 1.824) 4.589 3.873 ( 0.539 -0.709 2.607) 2.755 3.989 ( 8.100 -2.842 18.178) 20.103 4.195 ( 5.213 -3.227 4.216) 7.441 4.280 ( -5.497 3.033 -5.245) 8.181 4.371 ( 1.022 2.888 1.596) 3.454 4.579 ( -5.433 1.723 2.851) 6.373 4.719 ( 9.742 1.216 -5.960) 11.485 4.790 ( 1.055 3.081 -2.780) 4.282 4.865 ( 1.100 7.830 2.179) 8.202 4.967 ( -2.718 5.169 -5.295) 7.883 5.044 ( -1.455 -5.219 -1.560) 5.638 5.191 ( 3.865 5.019 4.096) 7.544 5.298 ( -6.772 4.526 1.899) 8.363 5.421 ( -6.965 0.086 4.696) 8.401 5.497 ( -13.211 -5.224 -5.875) 15.373 5.708 ( 2.447 -8.253 7.077) 11.143 5.898 ( 2.255 -0.496 -3.189) 3.937 5.997 ( -1.118 0.529 7.576) 7.677 6.140 ( -7.802 -4.604 1.397) 9.166 6.336 ( -8.171 -0.293 -1.715) 8.354 6.527 ( -4.300 -0.949 5.133) 6.763 6.603 ( -3.691 4.836 1.241) 6.209 6.678 ( -1.154 2.457 1.495) 3.099 6.707 ( -4.376 0.034 0.561) 4.412 6.834 ( -1.789 3.765 4.480) 6.119 6.939 ( 3.373 1.009 2.428) 4.277 7.053 ( 0.022 4.469 -0.063) 4.469 7.208 ( -2.049 -1.526 -0.118) 2.557 7.304 ( 4.484 5.713 1.127) 7.350 7.396 ( -6.593 5.654 -3.256) 9.275 7.538 ( 1.020 -5.028 -2.894) 5.890 7.669 ( -2.706 -0.717 -4.307) 5.137 7.768 ( -3.483 4.026 2.510) 5.885 7.894 ( 4.360 -1.813 -1.629) 4.996 7.995 ( 5.695 -5.215 1.267) 7.825 8.137 ( -3.943 0.428 -1.956) 4.422 8.260 ( -0.213 -4.599 0.809) 4.675 8.343 ( 2.148 0.167 -3.480) 4.093 8.480 ( -0.375 -4.067 0.869) 4.176 8.542 ( 2.347 -0.499 0.836) 2.541 8.628 ( -3.219 -8.293 -3.204) 9.455 8.757 ( 0.505 -0.198 -3.123) 3.170 8.951 ( 2.306 -6.602 8.599) 11.084 9.095 ( 0.732 8.462 -3.925) 9.356 9.225 ( 12.188 9.244 -4.220) 15.869 9.368 ( 9.073 -1.710 -5.945) 10.981 9.488 ( 1.673 -1.216 -1.890) 2.801 9.658 ( 0.905 1.555 -2.785) 3.316 9.782 ( 3.968 3.369 -1.145) 5.330 9.851 ( 2.315 -3.145 -1.718) 4.266 9.990 ( 5.654 -5.281 -1.173) 7.825 10.203 ( 4.221 -4.420 1.435) 6.277 10.360 ( 7.298 -2.727 -1.241) 7.889 10.841 ( -4.180 2.531 4.255) 6.479 10.968 ( 2.634 0.859 1.076) 2.972 11.385 ( -1.778 1.165 -0.902) 2.309 11.538 ( -4.650 -1.714 4.168) 6.476 11.622 ( 0.657 -3.053 -0.314) 3.139 11.811 ( -1.583 -3.192 4.174) 5.488 12.401 ( -4.095 0.071 1.726) 4.444 12.518 ( -0.090 -3.875 -0.903) 3.980 12.629 ( 1.700 -3.562 0.430) 3.971 12.671 ( 0.650 0.429 0.808) 1.122 12.823 ( 0.065 -0.002 -3.112) 3.113 12.889 ( 4.413 -3.333 11.176) 12.469 12.927 ( -3.327 -0.060 -7.052) 7.798 13.040 ( -0.959 -0.271 -3.337) 3.482 14.118 ( -4.762 2.233 -1.273) 5.412 14.324 ( 2.341 4.506 -0.875) 5.153 14.377 ( 1.516 6.493 -0.130) 6.669 14.666 ( -5.971 4.836 -9.155) 11.953 14.966 ( 1.339 -3.308 2.198) 4.191 15.148 ( 2.682 -4.295 -4.203) 6.580 15.267 ( 0.168 -2.029 2.344) 3.105 15.422 ( -1.039 -2.769 9.461) 9.912 15.563 ( -0.558 -1.296 -0.336) 1.451 15.751 ( -1.271 -5.376 1.691) 5.777 15.906 ( 7.762 0.366 -2.487) 8.159 16.133 ( -2.836 -2.811 0.358) 4.009 16.241 ( -0.017 4.011 1.185) 4.183 16.389 ( 2.807 -0.608 1.367) 3.180 16.495 ( 1.539 1.640 2.385) 3.279 16.593 ( -3.446 0.367 5.087) 6.155 16.852 ( 1.360 -0.830 -2.423) 2.900 17.050 ( 3.075 1.793 0.575) 3.606 17.098 ( -2.066 -0.262 1.816) 2.763 17.194 ( -7.138 0.368 -0.591) 7.172 17.345 ( 4.443 -0.387 -2.475) 5.100 17.450 ( 3.758 -0.782 1.620) 4.166 17.607 ( 2.323 2.876 -4.502) 5.825 17.697 ( -2.294 1.253 1.405) 2.968 18.097 ( 0.145 0.604 -3.660) 3.712 18.205 ( -5.263 2.431 -0.575) 5.825 18.359 ( -3.720 -2.561 0.041) 4.516 18.376 ( -3.930 -1.744 -3.622) 5.622 18.753 ( 2.426 1.347 2.803) 3.944 18.938 ( -2.566 0.319 1.072) 2.799 19.007 ( 1.707 3.116 0.670) 3.615 19.081 ( 1.877 -1.054 0.461) 2.201 20.928 ( -0.251 4.130 0.233) 4.144 21.014 ( 0.243 5.708 0.442) 5.730 21.142 ( 0.772 1.329 -0.471) 1.608 21.344 ( 1.369 -0.107 -0.381) 1.425 21.412 ( -1.106 -2.383 -0.372) 2.653 21.466 ( -0.730 -2.964 -0.640) 3.119 21.566 ( 2.701 1.497 -0.554) 3.137 21.671 ( 7.890 1.940 -3.257) 8.754 26.772 ( 0.389 1.409 0.981) 1.760 26.862 ( 0.352 0.495 -0.451) 0.756 26.870 ( -0.102 -0.421 -0.197) 0.476 26.944 ( 0.319 -0.976 -0.606) 1.192 27.662 ( 0.147 0.185 0.111) 0.261 27.672 ( -0.251 0.090 -0.494) 0.561 27.734 ( -0.895 -0.095 0.366) 0.972 27.743 ( -0.906 -0.381 -0.306) 1.030 35.627 ( -0.263 2.108 2.811) 3.523 35.853 ( -0.013 0.152 -0.760) 0.775 35.884 ( 1.107 1.490 1.222) 2.222 36.084 ( -0.050 -0.604 -1.359) 1.488 36.880 ( -3.255 1.081 5.746) 6.691 37.051 ( -2.123 -2.417 2.459) 4.049 37.453 ( -2.354 4.199 2.185) 5.287 37.604 ( 4.472 0.666 -2.018) 4.951 37.730 ( 6.086 0.908 -0.340) 6.163 37.806 ( -4.238 1.864 -7.211) 8.569 37.992 ( -10.939 -3.466 2.398) 11.723 38.115 ( -9.152 -2.287 -0.021) 9.433 38.292 ( -7.135 -3.441 8.595) 11.688 39.295 ( 6.402 -14.236 -2.205) 15.764 39.951 ( -3.666 -6.367 -5.138) 8.965 40.156 ( -7.130 -10.443 -1.903) 12.787 ======================= Grid point 81 (39/100) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -2.570 18.264 4.513) 18.988 1.691 ( 2.919 21.459 2.139) 21.762 2.075 ( -1.909 6.445 -0.522) 6.742 2.145 ( -0.211 7.029 -0.095) 7.032 2.199 ( 1.661 -5.801 -2.938) 6.711 2.344 ( 1.176 14.595 9.814) 17.627 2.457 ( 5.503 -7.326 -4.926) 10.403 2.583 ( 1.226 1.497 0.670) 2.048 2.679 ( -6.880 -4.057 4.695) 9.265 2.804 ( 4.072 -5.747 -0.138) 7.045 2.989 ( 0.083 -4.720 2.783) 5.480 3.037 ( 1.637 -5.926 -1.585) 6.349 3.567 ( 0.924 7.585 1.990) 7.896 3.897 ( -0.334 -2.729 4.570) 5.333 4.097 ( -7.395 -1.216 6.531) 9.941 4.117 ( -10.420 -6.196 0.157) 12.124 4.369 ( 4.458 0.410 5.898) 7.404 4.480 ( 3.684 0.334 4.770) 6.036 4.528 ( 3.778 8.422 5.619) 10.806 4.721 ( 2.465 -2.007 0.337) 3.197 4.771 ( 2.719 -3.232 2.446) 4.880 4.880 ( 2.376 -5.141 -3.241) 6.525 5.061 ( -1.503 3.599 -0.035) 3.901 5.153 ( -4.372 -1.088 -8.487) 9.609 5.214 ( 10.004 7.438 0.656) 12.484 5.330 ( -4.803 3.411 0.598) 5.921 5.428 ( 2.603 7.762 2.588) 8.586 5.557 ( -3.427 4.747 5.881) 8.298 5.636 ( -7.185 -5.492 -1.921) 9.245 5.716 ( 4.971 -3.985 5.538) 8.441 5.888 ( -3.745 -7.390 1.102) 8.357 5.922 ( -1.619 -6.280 2.894) 7.102 6.277 ( -1.937 3.979 -5.011) 6.685 6.421 ( -4.530 -0.709 0.466) 4.609 6.525 ( 1.782 -4.500 -3.767) 6.133 6.588 ( -0.671 -4.690 -0.094) 4.739 6.870 ( -3.074 8.541 3.830) 9.852 6.967 ( -2.517 9.094 5.375) 10.859 7.047 ( -0.329 1.309 -0.667) 1.506 7.172 ( -4.891 5.124 4.260) 8.266 7.269 ( 6.158 4.069 1.342) 7.502 7.405 ( -1.668 -0.985 1.314) 2.341 7.467 ( 5.492 1.844 -0.015) 5.793 7.562 ( 2.731 -1.165 0.829) 3.083 7.672 ( 7.574 7.571 -1.545) 10.820 7.750 ( -6.178 5.219 -0.542) 8.105 7.835 ( -4.060 -4.704 -4.975) 7.960 7.974 ( -6.511 -7.690 -0.947) 10.120 8.090 ( 3.825 -0.004 0.823) 3.913 8.126 ( 3.502 -1.807 -0.062) 3.941 8.246 ( -5.021 -6.841 -2.938) 8.980 8.342 ( 1.009 -4.343 1.430) 4.682 8.486 ( 1.223 -1.526 -3.482) 3.994 8.609 ( 4.863 -3.387 -1.744) 6.178 8.769 ( -0.115 3.815 5.070) 6.346 8.955 ( 1.240 -3.269 7.224) 8.025 9.245 ( -1.561 10.553 -6.224) 12.351 9.384 ( 2.873 -0.358 0.303) 2.911 9.416 ( 2.526 0.032 -3.828) 4.586 9.503 ( -1.706 3.495 -5.732) 6.927 9.700 ( 1.467 -7.930 -7.603) 11.083 9.740 ( 0.618 -4.204 -5.131) 6.662 9.861 ( -3.221 8.030 -5.243) 10.117 9.994 ( 2.359 2.083 0.602) 3.204 10.057 ( -2.431 -7.090 -1.955) 7.746 10.328 ( -0.437 -6.220 -4.065) 7.443 10.864 ( -2.076 2.380 3.288) 4.559 10.970 ( 1.728 -2.765 -0.042) 3.261 11.411 ( -0.601 1.820 0.601) 2.008 11.524 ( 0.831 0.172 -0.580) 1.028 11.578 ( -1.152 0.789 -1.302) 1.909 11.693 ( -3.378 -1.394 -5.540) 6.637 12.382 ( -0.848 1.945 0.933) 2.318 12.457 ( -1.609 0.025 0.922) 1.854 12.571 ( 1.645 -3.677 -2.577) 4.782 12.646 ( -1.653 -3.278 2.557) 4.474 12.751 ( -2.303 3.523 -2.833) 5.074 12.900 ( 1.548 -2.328 4.191) 5.038 13.008 ( 3.762 -1.547 -0.924) 4.171 13.029 ( 2.418 -2.947 4.779) 6.113 14.172 ( 1.822 4.369 2.780) 5.490 14.324 ( 1.251 -1.709 0.239) 2.131 14.622 ( -0.480 6.968 2.168) 7.314 14.734 ( 4.586 8.788 -5.296) 11.238 14.913 ( -0.629 -5.393 4.393) 6.984 15.059 ( 1.563 -4.293 -6.390) 7.855 15.288 ( -2.183 -0.182 4.744) 5.225 15.422 ( -2.566 -4.608 8.635) 10.118 15.520 ( -0.679 -0.428 -1.802) 1.972 15.604 ( -1.073 -4.876 -3.727) 6.230 15.987 ( 0.452 2.447 0.825) 2.622 16.101 ( 1.638 -1.165 0.596) 2.097 16.312 ( -1.362 3.958 2.664) 4.961 16.413 ( 0.698 -1.675 2.284) 2.918 16.504 ( -4.341 0.981 0.287) 4.460 16.545 ( -4.772 -0.774 1.952) 5.213 16.848 ( 2.006 -0.265 -3.692) 4.210 16.910 ( -4.330 -3.670 -3.068) 6.452 17.156 ( -0.310 1.590 0.416) 1.673 17.177 ( 3.017 1.139 1.437) 3.530 17.456 ( 1.035 -0.180 3.469) 3.625 17.478 ( 2.339 -0.975 -0.503) 2.583 17.668 ( 1.042 4.809 -1.912) 5.280 17.751 ( 1.135 0.999 1.375) 2.044 18.127 ( 3.338 1.215 -4.914) 6.064 18.159 ( -1.297 2.369 -1.230) 2.968 18.223 ( -1.617 -1.983 -2.850) 3.830 18.269 ( 3.147 -4.200 -2.385) 5.765 18.833 ( -1.004 2.355 3.456) 4.301 18.916 ( -1.498 -0.881 2.071) 2.704 19.071 ( -0.658 1.296 1.083) 1.812 19.092 ( -0.053 -0.673 1.284) 1.450 21.024 ( 0.169 4.884 0.872) 4.964 21.135 ( -0.452 4.894 -0.387) 4.930 21.169 ( 0.100 1.257 1.140) 1.699 21.349 ( 0.717 -1.918 -0.498) 2.107 21.356 ( 0.309 -0.650 0.337) 0.794 21.381 ( -0.358 -3.795 -0.240) 3.820 21.599 ( -0.165 0.998 -1.560) 1.859 21.673 ( 0.004 -2.260 -5.604) 6.043 26.808 ( -0.519 1.388 0.717) 1.646 26.853 ( -0.495 -0.798 0.172) 0.955 26.887 ( 0.914 0.763 -0.002) 1.191 26.926 ( 0.591 -1.082 -0.343) 1.280 27.661 ( -0.116 0.334 -0.284) 0.454 27.673 ( 0.301 -0.116 0.087) 0.334 27.720 ( -0.182 0.079 -0.282) 0.345 27.730 ( 0.147 -0.302 -0.238) 0.411 35.701 ( -1.281 3.444 4.286) 5.646 35.859 ( -0.162 -4.012 6.980) 8.052 35.964 ( 2.530 3.576 -1.378) 4.592 36.089 ( 3.029 -2.097 1.260) 3.894 36.944 ( 0.192 0.007 8.799) 8.802 37.006 ( -0.409 -2.503 4.520) 5.183 37.500 ( -2.932 3.246 -0.021) 4.374 37.611 ( -3.243 -3.250 -1.981) 5.000 37.662 ( 1.125 2.189 -4.671) 5.280 37.790 ( 2.812 -1.645 -1.963) 3.803 37.886 ( -1.973 1.012 -1.038) 2.448 37.907 ( -0.657 -1.519 -0.685) 1.791 38.453 ( 0.307 10.874 6.674) 12.763 39.035 ( 1.382 -16.492 0.203) 16.551 39.835 ( 2.889 -0.251 -8.822) 9.286 39.928 ( -4.012 -4.570 -4.601) 7.626 ======================= Grid point 82 (40/100) ======================= q-point: ( 0.17 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -1.236 14.972 6.128) 16.225 1.741 ( 1.940 13.496 1.401) 13.706 2.053 ( -3.728 1.327 0.471) 3.985 2.078 ( -0.749 7.348 -0.444) 7.399 2.212 ( -0.520 -2.658 -1.542) 3.116 2.437 ( 5.322 4.221 -1.511) 6.958 2.574 ( 0.732 1.347 -1.428) 2.095 2.586 ( -0.327 -6.197 3.914) 7.337 2.694 ( 4.718 3.543 3.796) 7.016 2.872 ( 1.125 -2.596 1.244) 3.091 3.018 ( 3.209 -2.164 1.475) 4.142 3.109 ( 4.438 -6.588 2.223) 8.248 3.617 ( -0.146 4.801 2.175) 5.273 3.817 ( -5.238 -4.139 -2.053) 6.984 4.021 ( -4.037 1.441 9.671) 10.578 4.082 ( -3.953 -1.182 10.539) 11.318 4.318 ( -5.591 3.382 -0.921) 6.599 4.550 ( -2.739 -0.643 2.858) 4.010 4.640 ( 2.293 7.388 2.181) 8.037 4.780 ( -5.738 -1.210 -3.303) 6.731 4.833 ( 4.015 -0.040 -6.683) 7.796 5.009 ( 9.986 -0.246 1.569) 10.111 5.049 ( 7.321 -2.457 -0.632) 7.748 5.149 ( 6.338 -3.253 7.424) 10.289 5.285 ( -0.491 2.312 2.059) 3.134 5.434 ( 3.248 8.344 0.632) 8.976 5.464 ( 1.575 0.739 -1.751) 2.468 5.549 ( 3.611 0.223 10.662) 11.259 5.620 ( 4.759 -3.061 -0.870) 5.725 5.765 ( -5.462 -4.083 -1.427) 6.967 5.912 ( 8.656 -1.586 1.067) 8.865 5.995 ( 4.166 -2.034 -5.165) 6.941 6.184 ( 3.190 -1.993 -1.738) 4.144 6.410 ( -2.636 -7.198 -5.121) 9.219 6.458 ( 2.146 3.387 1.867) 4.422 6.663 ( 1.165 -4.441 4.998) 6.787 6.796 ( -6.013 10.236 4.138) 12.572 6.921 ( -0.140 5.586 -2.643) 6.182 7.059 ( -8.791 5.965 4.239) 11.439 7.165 ( -0.629 -2.643 7.691) 8.156 7.203 ( -4.673 2.895 1.708) 5.756 7.497 ( 0.467 -0.175 1.405) 1.491 7.531 ( -2.427 4.332 -4.766) 6.883 7.538 ( -2.165 6.417 -0.012) 6.772 7.696 ( 8.841 1.374 0.703) 8.975 7.783 ( 2.516 -4.247 0.429) 4.955 7.810 ( 1.004 -3.597 -4.365) 5.745 7.912 ( 2.547 0.369 5.126) 5.736 8.126 ( -4.855 -5.048 -1.419) 7.146 8.140 ( 4.473 1.597 0.861) 4.827 8.263 ( 4.096 -5.984 -0.816) 7.298 8.380 ( 6.521 2.497 -0.167) 6.984 8.493 ( 1.100 -3.755 -2.058) 4.421 8.672 ( 2.448 -5.164 -2.928) 6.421 8.811 ( -0.205 4.808 5.551) 7.347 8.944 ( -7.013 5.516 0.032) 8.923 9.177 ( 1.241 1.865 -5.562) 5.996 9.294 ( -7.203 5.312 -8.690) 12.475 9.408 ( -5.527 1.942 -0.848) 5.919 9.433 ( 0.128 0.414 3.070) 3.100 9.575 ( -6.063 -4.893 -4.604) 9.049 9.644 ( -4.646 -5.879 -3.712) 8.362 9.715 ( -5.760 6.370 -8.770) 12.274 9.990 ( -3.424 -5.189 -1.007) 6.298 10.007 ( -0.010 -2.476 -1.941) 3.146 10.210 ( -6.100 -6.405 -4.083) 9.742 10.871 ( 0.502 3.132 1.894) 3.694 11.010 ( 1.797 -3.403 0.449) 3.875 11.392 ( -1.694 2.984 -0.284) 3.443 11.505 ( -2.001 3.981 -2.151) 4.948 11.561 ( 1.292 -3.329 -1.058) 3.724 11.599 ( -1.153 -0.861 -2.133) 2.573 12.393 ( 0.685 2.461 0.893) 2.706 12.450 ( 0.110 1.499 1.398) 2.053 12.582 ( 1.801 -4.563 -2.039) 5.313 12.640 ( -0.627 -3.871 0.746) 3.991 12.724 ( 0.041 5.421 0.537) 5.448 12.940 ( -0.459 -3.999 2.046) 4.515 13.077 ( 4.152 -1.265 -0.898) 4.433 13.141 ( 4.855 -4.376 3.499) 7.413 14.269 ( 4.452 3.239 2.532) 6.060 14.352 ( 0.834 0.737 -1.104) 1.568 14.567 ( -3.217 8.990 0.352) 9.555 14.819 ( 4.661 1.243 -5.009) 6.955 14.912 ( -2.055 -2.161 3.734) 4.779 15.053 ( 1.866 -5.003 -0.554) 5.369 15.254 ( -6.270 -4.002 5.261) 9.110 15.365 ( -8.161 -6.993 2.897) 11.130 15.509 ( -0.773 -0.119 -0.119) 0.791 15.563 ( -0.326 -2.533 -0.580) 2.619 15.986 ( 0.446 2.659 -2.168) 3.460 16.114 ( -0.411 -1.542 -1.426) 2.140 16.329 ( -1.187 5.546 5.291) 7.757 16.420 ( -2.236 0.828 -2.231) 3.266 16.461 ( -0.828 -0.688 5.307) 5.415 16.481 ( -1.783 -0.789 -0.276) 1.970 16.815 ( -1.835 -0.926 -2.323) 3.101 16.853 ( 0.887 -2.740 -3.506) 4.538 17.164 ( 0.235 1.479 0.039) 1.498 17.237 ( 2.676 -0.880 -0.808) 2.931 17.454 ( -3.998 0.687 1.431) 4.302 17.471 ( -2.226 -0.152 4.175) 4.733 17.672 ( -0.570 4.476 -0.982) 4.618 17.776 ( 0.543 -0.160 2.096) 2.171 18.139 ( 7.541 2.294 -7.177) 10.660 18.188 ( 2.399 1.372 -0.583) 2.824 18.276 ( 8.000 -1.327 -2.875) 8.604 18.348 ( 6.716 -3.243 -1.578) 7.623 18.816 ( -3.511 2.818 2.327) 5.068 18.897 ( -2.303 -1.150 0.459) 2.615 19.061 ( -1.463 1.085 1.985) 2.694 19.099 ( -1.187 -1.274 2.454) 3.009 21.039 ( 0.219 4.350 1.465) 4.595 21.119 ( -0.352 3.983 -1.127) 4.154 21.165 ( -1.840 2.431 1.219) 3.284 21.347 ( -0.650 -2.439 -0.477) 2.569 21.368 ( 0.926 0.109 -0.380) 1.007 21.393 ( 1.582 -1.556 0.161) 2.225 21.561 ( -1.758 -0.030 -2.011) 2.671 21.596 ( -1.895 -0.958 -4.009) 4.536 26.797 ( -1.318 1.352 0.619) 1.987 26.845 ( -0.530 -1.063 0.338) 1.235 26.903 ( 0.730 0.715 -0.097) 1.026 26.935 ( 0.620 -0.825 -0.318) 1.080 27.661 ( 0.253 0.656 -0.015) 0.703 27.681 ( 0.593 -0.003 -0.184) 0.621 27.721 ( 0.585 0.041 -0.308) 0.662 27.738 ( 0.802 -0.578 -0.089) 0.992 35.707 ( -2.178 3.924 3.428) 5.648 35.898 ( -2.393 -5.438 5.088) 7.822 36.018 ( 3.684 5.017 -0.004) 6.224 36.176 ( 3.753 -2.419 2.004) 4.894 37.027 ( -1.526 -0.725 8.371) 8.540 37.065 ( -1.155 -2.427 8.355) 8.777 37.446 ( -0.430 1.651 -4.574) 4.882 37.528 ( -1.786 -2.477 -5.310) 6.126 37.657 ( 1.389 4.107 -2.114) 4.823 37.804 ( 4.981 -1.967 -2.261) 5.813 37.962 ( 7.673 -0.976 -1.304) 7.844 37.984 ( 9.238 -2.145 0.032) 9.484 38.506 ( -3.044 10.508 8.709) 13.983 39.030 ( -1.503 -14.778 -0.384) 14.859 39.752 ( -6.588 -1.171 -7.960) 10.399 39.850 ( 5.644 -7.107 -5.997) 10.878 ======================= Grid point 83 (41/100) ======================= q-point: ( 0.33 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -1.627 8.256 5.179) 9.881 1.808 ( 3.148 4.012 -0.722) 5.151 1.954 ( -3.529 0.929 1.377) 3.900 2.147 ( 6.666 0.059 -5.555) 8.677 2.165 ( -4.644 6.887 2.736) 8.745 2.400 ( -6.011 1.156 -5.010) 7.911 2.500 ( -2.510 0.040 2.529) 3.563 2.642 ( 1.788 -3.358 -2.834) 4.744 2.830 ( 4.534 1.452 4.687) 6.681 2.886 ( -0.094 0.198 0.607) 0.645 3.124 ( 4.851 -0.635 0.615) 4.931 3.199 ( 2.413 -5.252 0.157) 5.782 3.584 ( -1.501 3.093 1.375) 3.703 3.827 ( 2.761 -6.881 1.040) 7.487 4.024 ( -3.959 2.258 7.184) 8.507 4.054 ( -7.441 1.275 1.528) 7.703 4.243 ( -2.090 7.388 2.165) 7.977 4.477 ( -5.073 1.448 0.693) 5.320 4.589 ( -4.974 6.676 -2.323) 8.643 4.733 ( 0.658 9.317 5.903) 11.049 4.900 ( 6.786 0.349 -2.475) 7.232 5.134 ( 2.257 -0.614 -3.313) 4.056 5.173 ( 9.557 -0.227 -3.668) 10.240 5.269 ( -4.073 0.737 -4.318) 5.981 5.328 ( 3.900 -0.497 1.551) 4.227 5.402 ( -0.895 3.687 0.359) 3.811 5.502 ( 2.538 -8.554 4.395) 9.946 5.600 ( -0.467 -3.399 -6.287) 7.162 5.807 ( 9.210 2.684 0.712) 9.619 5.837 ( 6.703 4.773 10.407) 13.267 5.909 ( 1.850 -1.868 -8.255) 8.664 6.104 ( 5.549 -1.924 2.449) 6.363 6.276 ( 1.971 -2.613 5.078) 6.042 6.416 ( 3.651 -10.495 3.902) 11.777 6.518 ( -0.570 3.084 -0.837) 3.246 6.722 ( -2.455 6.216 3.402) 7.499 6.741 ( -3.234 -3.959 4.302) 6.681 6.841 ( -4.155 2.156 1.491) 4.913 7.038 ( 4.154 3.295 5.640) 7.741 7.082 ( -2.423 0.516 2.080) 3.234 7.256 ( -8.740 3.760 -3.788) 10.241 7.359 ( 4.379 -0.059 1.759) 4.719 7.492 ( -6.585 1.484 -0.630) 6.779 7.621 ( 3.505 -0.075 3.450) 4.918 7.726 ( -0.364 -4.216 -1.003) 4.349 7.831 ( 1.631 1.573 -0.486) 2.318 7.906 ( 6.492 -0.035 -1.570) 6.679 7.975 ( -2.187 -0.712 2.955) 3.744 8.070 ( 2.334 2.435 3.601) 4.934 8.158 ( -4.355 -4.409 -4.738) 7.800 8.332 ( 1.859 0.593 -0.345) 1.981 8.487 ( 2.098 -2.620 -1.543) 3.695 8.564 ( 10.313 3.519 -5.172) 12.062 8.621 ( 1.283 0.786 -2.761) 3.145 8.811 ( -4.002 5.432 0.350) 6.756 8.916 ( 4.829 0.782 4.088) 6.375 9.065 ( -10.277 3.949 -1.389) 11.097 9.106 ( 0.089 2.093 -9.999) 10.216 9.293 ( -3.252 1.791 -0.654) 3.770 9.371 ( -11.477 -2.711 -6.069) 13.263 9.460 ( -2.481 -5.627 -2.909) 6.803 9.479 ( -4.882 1.730 2.202) 5.628 9.637 ( 1.063 -0.603 2.007) 2.350 9.920 ( -3.065 -5.693 0.424) 6.480 9.945 ( -3.680 -3.052 -2.234) 5.277 10.100 ( -1.952 -5.716 -1.850) 6.317 10.915 ( 1.996 2.762 1.283) 3.641 11.036 ( 0.489 -2.870 0.645) 2.982 11.358 ( -1.117 3.215 0.099) 3.405 11.471 ( -0.400 1.468 0.357) 1.563 11.556 ( 0.665 -0.161 -1.790) 1.916 11.610 ( 0.985 -2.815 1.072) 3.169 12.410 ( 0.402 2.098 0.691) 2.245 12.485 ( 0.810 1.476 2.639) 3.130 12.588 ( 0.009 -2.640 -0.047) 2.641 12.651 ( 1.509 -2.771 -0.642) 3.220 12.732 ( 0.322 3.742 -0.051) 3.756 12.931 ( -0.744 -4.394 -1.253) 4.630 13.124 ( 2.642 -0.436 -2.537) 3.689 13.245 ( 2.683 -5.333 0.153) 5.972 14.324 ( -1.127 5.566 -1.651) 5.914 14.358 ( 2.171 2.663 1.356) 3.694 14.554 ( 2.835 2.946 -1.959) 4.534 14.747 ( -3.911 -4.147 -5.434) 7.876 14.957 ( 0.826 3.133 2.580) 4.142 15.088 ( 0.368 -3.132 2.175) 3.831 15.194 ( -5.840 -6.616 7.876) 11.828 15.252 ( -5.047 -6.761 1.225) 8.525 15.475 ( -1.645 0.743 -0.369) 1.842 15.559 ( -1.298 -2.590 1.912) 3.471 15.973 ( 2.332 2.519 -5.846) 6.780 16.094 ( 2.139 -2.032 -4.262) 5.184 16.336 ( -3.654 4.007 5.048) 7.409 16.365 ( -2.622 0.550 -0.439) 2.715 16.464 ( -0.427 1.331 2.164) 2.576 16.475 ( -1.923 1.433 0.958) 2.583 16.812 ( 1.474 -1.389 2.274) 3.045 16.830 ( -0.279 -3.217 -1.083) 3.406 17.165 ( 0.265 1.598 -0.210) 1.634 17.255 ( 0.665 -2.211 -1.316) 2.658 17.395 ( -2.389 3.646 0.974) 4.467 17.502 ( -0.103 -1.729 3.470) 3.878 17.628 ( -2.238 5.377 -0.229) 5.829 17.800 ( -0.105 -2.445 0.568) 2.513 18.221 ( 5.729 1.422 -4.082) 7.177 18.254 ( 6.748 0.448 -5.099) 8.469 18.386 ( 4.402 1.452 1.685) 4.932 18.465 ( 6.712 -1.628 -1.972) 7.182 18.759 ( -4.119 2.342 0.803) 4.806 18.838 ( -1.460 -1.529 -3.743) 4.299 19.062 ( -1.342 0.668 3.215) 3.547 19.093 ( -2.662 -0.694 3.707) 4.616 21.053 ( -0.347 3.473 1.020) 3.636 21.106 ( 0.031 2.296 -0.328) 2.319 21.133 ( -1.697 4.950 -0.053) 5.233 21.326 ( -0.301 -1.649 -1.747) 2.421 21.372 ( 0.285 1.241 0.199) 1.289 21.442 ( 2.721 -1.416 0.761) 3.161 21.518 ( -1.359 -0.865 -0.717) 1.763 21.538 ( -1.593 -0.842 -1.409) 2.287 26.777 ( -1.228 1.544 0.701) 2.094 26.840 ( -0.346 -1.626 0.426) 1.716 26.910 ( 0.317 0.893 -0.552) 1.097 26.940 ( 0.405 -0.634 -0.616) 0.972 27.668 ( 0.347 0.973 0.036) 1.033 27.689 ( 0.514 0.433 -0.388) 0.776 27.735 ( 0.941 -0.343 -0.053) 1.003 27.751 ( 0.485 -0.961 -0.038) 1.077 35.690 ( -2.152 4.017 1.961) 4.961 35.880 ( -2.885 -5.098 2.259) 6.278 36.072 ( 2.131 5.496 -1.671) 6.127 36.237 ( 1.653 -2.076 -1.094) 2.871 37.046 ( -3.754 0.549 6.123) 7.203 37.095 ( -2.948 -1.722 6.155) 7.038 37.402 ( 1.536 1.077 -5.285) 5.608 37.451 ( -0.014 -0.617 -4.847) 4.886 37.692 ( 1.843 7.383 1.891) 7.841 37.920 ( 8.111 -1.351 -2.778) 8.679 38.084 ( 4.814 -1.780 2.018) 5.515 38.201 ( 11.462 -6.954 -0.442) 13.414 38.489 ( -6.013 7.677 5.170) 11.037 38.978 ( -3.457 -15.877 -1.918) 16.361 39.585 ( -2.542 3.235 -3.492) 5.397 39.922 ( 5.221 -14.652 -1.779) 15.656 ======================= Grid point 84 (42/100) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -3.168 6.135 4.807) 8.413 1.819 ( 1.463 -1.169 -1.612) 2.471 1.938 ( -2.663 5.553 -0.071) 6.159 2.039 ( -4.790 7.253 -3.612) 9.413 2.222 ( 4.723 -1.769 -4.035) 6.459 2.296 ( 0.100 0.057 -3.479) 3.481 2.504 ( 1.012 1.638 3.402) 3.909 2.637 ( 1.070 -3.970 -2.409) 4.766 2.868 ( -2.384 3.273 0.314) 4.062 2.943 ( 1.477 -0.873 5.810) 6.058 3.129 ( -3.090 -0.950 -4.423) 5.479 3.190 ( -1.422 -3.038 -2.338) 4.089 3.610 ( 0.404 3.410 4.472) 5.639 3.852 ( -1.588 -4.126 -3.497) 5.637 3.900 ( -5.616 0.284 1.333) 5.779 4.014 ( -2.424 -1.885 0.203) 3.078 4.243 ( -0.488 5.750 3.690) 6.849 4.424 ( -0.502 -0.229 -0.060) 0.555 4.575 ( 2.201 12.945 1.989) 13.280 4.744 ( -2.800 13.230 3.484) 13.965 4.992 ( 2.398 -3.636 -2.895) 5.230 5.068 ( -1.213 6.555 -3.910) 7.728 5.150 ( -0.223 2.396 -4.938) 5.493 5.288 ( 0.719 3.282 -5.556) 6.493 5.328 ( 0.699 -0.265 -2.236) 2.357 5.449 ( 0.619 -1.274 5.576) 5.753 5.539 ( -1.190 -8.621 1.119) 8.774 5.597 ( 3.450 -3.186 -3.988) 6.161 5.775 ( -9.097 4.573 -1.418) 10.280 5.933 ( 3.081 -3.018 -3.009) 5.259 5.965 ( -1.205 7.345 1.823) 7.663 6.253 ( 0.556 -0.317 3.598) 3.655 6.335 ( -0.861 -2.215 7.423) 7.794 6.421 ( 0.613 -8.005 4.528) 9.218 6.602 ( 3.816 -1.180 3.204) 5.120 6.648 ( 2.761 -3.371 9.776) 10.703 6.810 ( -1.086 -2.824 6.666) 7.321 6.873 ( -3.043 -0.855 4.968) 5.888 6.980 ( -6.338 6.774 -1.636) 9.419 7.117 ( -6.590 5.640 0.003) 8.675 7.205 ( 5.323 0.523 -2.528) 5.916 7.363 ( 1.608 -1.730 -0.200) 2.370 7.427 ( -0.875 -0.772 2.392) 2.662 7.588 ( -6.575 -1.124 -3.320) 7.451 7.727 ( -2.964 0.978 -5.220) 6.082 7.789 ( 2.457 -4.485 2.221) 5.575 7.896 ( -7.466 -4.998 -8.582) 12.425 7.931 ( -2.328 -3.022 -6.148) 7.236 8.086 ( 6.895 6.529 3.032) 9.968 8.240 ( 1.653 3.605 4.475) 5.979 8.312 ( 5.810 0.246 0.605) 5.847 8.497 ( 0.198 -4.414 -2.060) 4.875 8.614 ( 0.140 6.416 -3.914) 7.517 8.707 ( 3.543 6.513 0.194) 7.417 8.801 ( 4.062 -2.495 3.356) 5.830 8.908 ( -5.273 -1.714 -2.422) 6.051 8.999 ( -11.197 5.559 -5.360) 13.602 9.077 ( 3.309 0.785 -6.303) 7.162 9.163 ( 13.428 -0.162 2.070) 13.587 9.343 ( -0.984 1.549 -3.259) 3.740 9.359 ( 0.679 -5.659 3.390) 6.632 9.509 ( 4.237 -5.199 3.279) 7.466 9.694 ( 0.666 0.590 4.001) 4.099 9.900 ( 0.198 1.926 -0.196) 1.946 9.918 ( 2.467 -7.941 2.510) 8.686 10.073 ( 1.030 -4.629 -2.085) 5.181 10.946 ( -0.412 2.546 1.028) 2.776 11.042 ( -0.374 -1.252 0.082) 1.309 11.366 ( 0.761 2.008 2.128) 3.023 11.494 ( 0.813 -0.365 3.017) 3.146 11.559 ( 1.125 0.174 -1.384) 1.792 11.633 ( 0.106 -2.689 1.913) 3.302 12.426 ( 0.304 0.804 1.306) 1.563 12.501 ( -1.709 -0.322 1.930) 2.598 12.591 ( -0.414 0.058 1.132) 1.206 12.674 ( 1.432 -1.213 0.171) 1.885 12.732 ( -0.087 1.635 -0.847) 1.844 12.890 ( -0.734 -3.863 -4.188) 5.744 13.123 ( 0.558 -0.325 -3.878) 3.932 13.214 ( -2.754 -4.063 -5.576) 7.429 14.298 ( -0.243 6.003 -0.776) 6.058 14.375 ( -0.642 4.475 -0.138) 4.523 14.611 ( -3.288 -3.070 -5.085) 6.789 14.632 ( 6.038 -2.622 -3.097) 7.275 14.962 ( -2.612 2.471 2.318) 4.278 15.104 ( -1.308 -1.910 3.223) 3.968 15.185 ( -1.464 -6.889 2.126) 7.357 15.222 ( -1.837 -4.023 6.683) 8.014 15.473 ( 0.878 0.121 1.557) 1.791 15.561 ( -0.221 -2.756 2.385) 3.651 15.961 ( 3.589 3.527 -7.954) 9.412 16.106 ( 3.252 -3.252 -4.990) 6.786 16.304 ( -2.919 2.699 2.871) 4.904 16.332 ( -1.448 1.693 1.730) 2.820 16.437 ( -0.746 2.417 0.377) 2.557 16.501 ( 1.496 -0.617 1.430) 2.159 16.835 ( 0.048 -0.635 2.984) 3.051 16.883 ( 1.293 -2.254 5.488) 6.072 17.165 ( -0.122 2.019 -0.850) 2.194 17.259 ( 0.811 -2.189 -0.120) 2.338 17.364 ( -1.601 4.398 -0.788) 4.746 17.482 ( -3.798 -0.887 0.680) 3.959 17.627 ( 1.002 3.632 1.274) 3.977 17.777 ( -1.430 -2.660 -1.873) 3.554 18.268 ( 2.057 0.251 -3.169) 3.786 18.289 ( 1.808 -0.329 -3.604) 4.046 18.467 ( 1.591 2.662 1.306) 3.365 18.525 ( -1.127 -0.616 1.393) 1.895 18.698 ( -0.050 2.768 -2.136) 3.496 18.809 ( 3.990 -2.658 -6.058) 7.725 19.062 ( -2.275 0.622 3.464) 4.191 19.075 ( -3.019 0.234 3.863) 4.908 21.041 ( -1.000 3.557 -0.176) 3.699 21.108 ( 0.011 2.460 -0.282) 2.476 21.123 ( 0.534 4.177 0.763) 4.280 21.309 ( 0.592 -1.249 -2.000) 2.431 21.392 ( 0.870 0.569 1.372) 1.721 21.460 ( -1.984 -2.212 -0.707) 3.054 21.518 ( 0.094 -0.213 0.265) 0.353 21.521 ( 2.904 0.032 0.528) 2.952 26.770 ( -0.280 1.720 0.923) 1.972 26.841 ( -0.120 -1.811 0.568) 1.902 26.905 ( -0.018 1.021 -1.145) 1.534 26.937 ( 0.112 -0.697 -0.945) 1.180 27.670 ( -0.053 1.041 -0.127) 1.050 27.693 ( 0.211 0.417 -0.348) 0.583 27.747 ( 0.205 -0.345 0.043) 0.403 27.754 ( -0.076 -1.123 0.024) 1.126 35.671 ( -1.421 3.789 1.224) 4.228 35.845 ( -2.165 -4.549 0.600) 5.074 36.053 ( -0.597 5.253 -4.677) 7.058 36.208 ( -1.241 -1.789 -5.073) 5.520 37.015 ( -4.567 1.323 3.871) 6.131 37.079 ( -3.716 -1.758 3.779) 5.584 37.423 ( 4.828 1.314 -2.693) 5.682 37.463 ( 4.645 -0.417 -1.682) 4.958 37.720 ( -1.913 8.795 2.755) 9.412 38.015 ( 3.784 -1.383 -2.775) 4.892 38.155 ( -0.246 0.023 3.529) 3.537 38.310 ( -3.168 0.786 3.233) 4.594 38.418 ( -2.823 -2.757 -1.024) 4.077 38.871 ( -0.737 -15.880 -6.852) 17.311 39.638 ( 5.406 1.228 6.026) 8.188 39.987 ( 2.161 -16.593 0.021) 16.733 ======================= Grid point 85 (43/100) ======================= q-point: (-0.33 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -4.758 15.311 2.573) 16.239 1.795 ( -5.532 12.695 -3.010) 14.171 1.915 ( 4.507 -0.930 3.183) 5.596 1.982 ( 0.554 4.554 -0.782) 4.654 2.242 ( 1.242 -3.405 -3.378) 4.954 2.310 ( 5.635 -4.341 -6.132) 9.392 2.584 ( 2.331 0.619 2.319) 3.346 2.647 ( 2.064 -2.055 -1.819) 3.434 2.762 ( -10.033 7.804 -0.340) 12.716 2.966 ( -5.443 -3.327 3.828) 7.440 3.003 ( -3.699 -0.396 -2.721) 4.609 3.113 ( -3.140 -4.433 -2.568) 6.009 3.704 ( 1.790 4.989 -0.896) 5.376 3.709 ( -2.218 4.399 3.107) 5.824 3.881 ( -2.121 -2.776 2.037) 4.044 3.968 ( -0.504 -7.335 2.328) 7.713 4.311 ( 2.372 3.817 4.272) 6.201 4.441 ( 2.192 -0.792 -1.401) 2.720 4.624 ( 1.251 9.463 -1.596) 9.678 4.804 ( 5.400 10.302 7.578) 13.882 4.941 ( -7.952 3.618 -5.700) 10.431 4.972 ( -4.115 -0.191 -5.208) 6.641 5.023 ( -5.597 -1.943 -9.426) 11.133 5.252 ( 0.825 8.068 0.337) 8.117 5.286 ( -5.683 -4.144 1.943) 7.297 5.411 ( -2.161 -0.999 -2.645) 3.559 5.506 ( -4.479 2.321 -0.425) 5.063 5.615 ( -0.393 6.746 4.233) 7.974 5.662 ( -2.583 -1.213 -0.964) 3.012 5.811 ( -6.984 -5.532 1.570) 9.047 5.994 ( -2.721 1.098 1.875) 3.482 6.157 ( -4.108 -5.561 -4.333) 8.160 6.483 ( 2.107 -1.122 9.436) 9.733 6.522 ( -9.951 -1.663 2.519) 10.399 6.609 ( 6.615 -1.002 8.868) 11.109 6.707 ( -10.806 -5.053 7.035) 13.849 6.772 ( -7.688 0.972 2.926) 8.283 6.916 ( 0.709 3.925 4.287) 5.855 6.968 ( 0.232 -4.883 -0.067) 4.889 7.002 ( 5.304 5.141 4.228) 8.511 7.245 ( -8.976 1.583 -1.110) 9.181 7.311 ( 9.388 8.704 -7.452) 14.813 7.474 ( 4.360 -0.045 1.387) 4.576 7.577 ( -1.879 1.071 -1.268) 2.507 7.631 ( -0.910 -6.000 -6.465) 8.867 7.656 ( 0.494 -4.857 -5.776) 7.563 7.853 ( 0.867 -4.241 1.993) 4.766 7.928 ( 3.323 -2.820 -1.095) 4.494 8.196 ( 0.431 2.782 -0.988) 2.984 8.249 ( -0.539 6.736 6.404) 9.310 8.351 ( -2.931 -0.501 -0.842) 3.090 8.502 ( -1.216 1.001 -0.361) 1.616 8.589 ( -6.648 2.240 -6.293) 9.424 8.694 ( -3.564 -4.433 -2.820) 6.349 8.722 ( -1.203 -4.561 0.103) 4.718 8.766 ( -0.340 -1.812 -1.146) 2.171 9.103 ( 10.827 5.764 1.993) 12.426 9.172 ( 12.316 5.808 -2.786) 13.898 9.308 ( 2.365 2.838 -3.549) 5.123 9.363 ( 8.350 -5.735 -3.699) 10.784 9.479 ( 6.177 -4.052 1.799) 7.604 9.659 ( 5.446 -6.874 4.671) 9.936 9.782 ( 5.741 5.689 4.174) 9.097 9.919 ( 1.589 2.078 -0.143) 2.620 10.033 ( 5.101 -4.332 1.398) 6.836 10.119 ( 6.852 -6.401 -1.379) 9.477 10.919 ( -2.981 2.656 1.070) 4.134 11.014 ( -1.599 -0.364 -1.969) 2.562 11.407 ( 0.309 1.235 2.465) 2.774 11.537 ( 0.782 -2.993 1.486) 3.431 11.563 ( 0.050 1.405 -0.046) 1.406 11.677 ( 2.198 -2.678 3.992) 5.286 12.440 ( -1.051 -0.954 1.734) 2.241 12.474 ( -2.013 -0.272 1.446) 2.493 12.584 ( -1.012 0.163 0.398) 1.100 12.706 ( -1.804 -1.874 -0.024) 2.602 12.720 ( 2.162 1.129 2.264) 3.328 12.839 ( 0.359 -1.706 -4.389) 4.723 13.073 ( -3.409 -0.629 -6.004) 6.933 13.080 ( -2.042 -1.682 -4.928) 5.593 14.269 ( -2.782 3.723 -1.612) 4.919 14.371 ( 0.815 4.015 0.033) 4.097 14.503 ( -1.998 2.058 -3.592) 4.597 14.725 ( 5.551 -4.113 -3.691) 7.833 14.931 ( -1.637 1.289 0.418) 2.125 15.088 ( -1.598 -2.750 -0.361) 3.202 15.200 ( 0.829 -3.148 2.636) 4.189 15.277 ( -1.201 -3.841 9.578) 10.389 15.514 ( 1.303 -0.650 1.352) 1.987 15.601 ( 1.569 -3.794 2.187) 4.652 15.951 ( 3.443 4.631 -7.581) 9.527 16.104 ( 1.205 -3.183 -3.851) 5.140 16.304 ( -0.066 3.336 1.986) 3.882 16.340 ( 0.938 0.798 0.946) 1.553 16.466 ( 2.132 2.340 2.280) 3.901 16.551 ( 1.277 -1.704 3.084) 3.747 16.869 ( -0.838 1.626 4.064) 4.457 16.965 ( 1.044 -2.392 6.323) 6.840 17.138 ( -0.624 2.151 -2.130) 3.091 17.270 ( -0.732 -2.726 -0.301) 2.839 17.329 ( -0.039 2.458 -1.897) 3.105 17.409 ( -3.158 -0.434 0.440) 3.217 17.654 ( 1.290 2.481 -0.824) 2.915 17.729 ( -0.707 -1.185 -2.501) 2.857 18.208 ( -3.257 1.739 -3.699) 5.226 18.279 ( -0.101 -1.139 -3.259) 3.453 18.437 ( -6.053 0.782 1.537) 6.294 18.463 ( -4.700 -0.549 -0.473) 4.755 18.730 ( 3.684 3.118 -0.688) 4.875 18.864 ( 5.749 -3.413 -3.552) 7.571 19.048 ( -2.175 1.529 3.146) 4.119 19.065 ( -1.486 0.647 3.252) 3.633 21.024 ( -0.632 4.321 -0.079) 4.368 21.115 ( 1.166 4.545 -0.554) 4.725 21.142 ( 0.281 1.096 1.036) 1.534 21.311 ( 1.457 -1.680 -1.610) 2.745 21.403 ( -1.933 -1.995 0.104) 2.780 21.418 ( -0.953 -1.710 0.372) 1.993 21.547 ( 2.706 1.580 0.226) 3.142 21.593 ( 4.099 -0.065 0.204) 4.104 26.783 ( 0.521 1.728 1.049) 2.088 26.846 ( -0.035 -1.370 0.739) 1.557 26.891 ( -0.022 0.963 -1.458) 1.748 26.928 ( 0.019 -0.949 -1.017) 1.391 27.667 ( -0.176 0.696 0.017) 0.718 27.687 ( -0.375 0.049 -0.528) 0.649 27.743 ( -0.609 -0.228 0.221) 0.686 27.750 ( -0.491 -0.684 -0.116) 0.850 35.665 ( -0.705 3.373 1.752) 3.866 35.815 ( -1.556 -3.834 0.682) 4.194 35.986 ( -0.747 4.604 -4.935) 6.790 36.120 ( -1.818 -1.710 -5.426) 5.973 36.957 ( -4.817 1.702 2.809) 5.830 37.037 ( -3.753 -2.190 2.507) 5.016 37.509 ( 5.595 2.171 -1.614) 6.215 37.561 ( 4.577 -0.260 1.249) 4.751 37.685 ( -2.047 6.015 0.385) 6.366 37.961 ( -7.252 -5.568 -0.937) 9.191 38.119 ( -7.683 2.556 2.678) 8.529 38.249 ( -7.924 -1.163 1.720) 8.191 38.322 ( -1.238 4.447 -0.367) 4.631 38.886 ( 6.885 -17.032 -4.737) 18.972 39.812 ( 5.283 -2.243 5.181) 7.732 39.999 ( -0.280 -12.554 -0.645) 12.574 ======================= Grid point 86 (44/100) ======================= q-point: (-0.17 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -0.386 20.629 4.739) 21.170 1.664 ( -3.509 19.866 -2.355) 20.311 2.038 ( 3.286 3.825 3.479) 6.126 2.070 ( 7.016 0.832 2.108) 7.373 2.218 ( 0.820 -4.576 -4.350) 6.366 2.363 ( 5.435 -5.068 -4.764) 8.827 2.443 ( -15.699 14.928 2.834) 21.848 2.630 ( -1.627 1.813 -3.041) 3.896 2.701 ( 2.466 -1.782 1.922) 3.598 2.846 ( -8.921 -7.509 0.983) 11.702 2.957 ( -0.130 -3.361 1.066) 3.528 3.057 ( -0.920 -6.022 -1.711) 6.328 3.584 ( -2.481 7.912 -3.009) 8.821 3.859 ( 0.756 -2.001 0.944) 2.338 3.969 ( 8.091 0.541 15.004) 17.055 4.086 ( 5.809 -6.322 8.603) 12.154 4.341 ( -4.313 3.500 -3.172) 6.397 4.418 ( -1.599 1.204 1.783) 2.681 4.614 ( -4.394 1.341 -1.114) 4.727 4.734 ( -4.358 -3.110 -1.378) 5.528 4.755 ( -3.935 -0.317 -5.012) 6.380 4.917 ( -2.052 -6.128 -3.749) 7.471 5.021 ( 8.183 8.825 4.930) 13.006 5.160 ( -4.938 8.648 -5.749) 11.499 5.292 ( -1.109 -0.342 -3.063) 3.275 5.330 ( 1.060 7.470 0.293) 7.550 5.504 ( -11.211 5.884 1.936) 12.808 5.550 ( -0.048 -2.820 7.179) 7.713 5.575 ( -3.649 6.897 4.044) 8.789 5.799 ( 0.566 -8.468 -0.677) 8.514 5.929 ( -4.527 -7.935 -0.193) 9.137 6.021 ( -10.342 -6.880 5.340) 13.520 6.339 ( -6.444 1.329 -2.132) 6.917 6.469 ( -4.716 -4.378 5.897) 8.729 6.634 ( -7.641 -0.949 -2.525) 8.103 6.689 ( -5.860 -2.384 0.362) 6.337 6.785 ( 4.319 6.073 3.851) 8.389 6.905 ( 3.755 0.880 5.199) 6.473 7.024 ( 4.059 10.442 1.867) 11.358 7.155 ( -1.754 1.156 4.763) 5.205 7.165 ( 5.298 3.738 -2.396) 6.913 7.448 ( -1.596 -3.336 -4.391) 5.741 7.451 ( 0.858 4.894 4.854) 6.947 7.494 ( 4.643 3.259 -4.627) 7.321 7.575 ( -0.505 -4.306 -2.584) 5.047 7.819 ( 10.666 -5.174 -0.094) 11.855 7.888 ( -0.064 -2.228 1.838) 2.889 7.937 ( -2.096 5.549 -0.102) 5.933 8.144 ( -10.315 -3.941 0.868) 11.076 8.192 ( -0.849 2.181 -1.670) 2.876 8.304 ( -0.808 -3.791 1.426) 4.130 8.394 ( -8.360 -5.976 -3.269) 10.784 8.522 ( 1.061 0.179 -4.229) 4.363 8.565 ( 0.180 2.446 -1.253) 2.754 8.727 ( 1.607 -2.647 -2.083) 3.732 8.845 ( 2.939 -4.250 5.906) 7.848 9.272 ( 3.908 6.607 0.901) 7.729 9.323 ( 2.879 0.388 -2.047) 3.554 9.351 ( 8.397 3.554 -4.769) 10.290 9.494 ( 8.308 1.862 -4.608) 9.680 9.613 ( 9.910 -5.589 -3.381) 11.869 9.753 ( 2.357 -6.938 -0.964) 7.390 9.911 ( 4.010 9.431 -0.976) 10.294 9.939 ( 1.120 0.510 -0.864) 1.504 10.092 ( 0.268 -5.998 0.541) 6.028 10.274 ( 8.304 -6.453 -1.263) 10.593 10.881 ( -2.794 2.085 2.669) 4.391 10.965 ( -0.644 -1.172 -1.945) 2.360 11.414 ( -0.737 1.547 0.941) 1.955 11.530 ( -0.522 -2.416 -1.082) 2.698 11.584 ( 0.699 2.323 0.787) 2.550 11.749 ( 1.086 -3.651 0.524) 3.845 12.408 ( -2.662 0.624 0.928) 2.888 12.471 ( -1.043 -1.331 1.847) 2.504 12.571 ( 0.145 -1.142 -1.050) 1.558 12.667 ( -2.223 -1.666 0.608) 2.844 12.805 ( 2.577 -1.349 2.101) 3.588 12.829 ( 0.177 -1.806 1.297) 2.231 12.950 ( -1.343 1.895 -3.126) 3.894 13.025 ( -0.910 -1.305 -2.397) 2.877 14.184 ( -3.823 4.300 -0.457) 5.772 14.342 ( -2.367 -1.848 -1.340) 3.289 14.529 ( 5.672 7.966 -0.009) 9.779 14.758 ( 1.617 1.171 -3.872) 4.356 14.898 ( -2.172 -0.281 1.577) 2.699 15.075 ( 2.990 -3.588 -5.502) 7.217 15.253 ( 0.816 0.309 4.129) 4.220 15.353 ( -0.897 -3.970 10.004) 10.800 15.536 ( 0.526 -0.784 -0.440) 1.041 15.635 ( 0.357 -5.560 -0.143) 5.573 15.957 ( 3.166 3.876 -3.347) 6.021 16.088 ( -0.016 -2.161 -1.072) 2.412 16.316 ( -0.603 3.220 1.266) 3.513 16.378 ( 1.517 -0.551 1.212) 2.019 16.527 ( 0.502 1.635 2.837) 3.313 16.587 ( -2.403 -0.993 4.858) 5.510 16.861 ( -0.623 1.832 -1.804) 2.645 17.008 ( -3.346 -4.393 3.477) 6.525 17.123 ( 0.571 2.066 -0.208) 2.154 17.196 ( -3.844 -0.604 -1.107) 4.046 17.355 ( 5.162 1.463 -0.845) 5.431 17.429 ( 3.168 -1.478 0.339) 3.512 17.664 ( 2.276 2.779 -3.209) 4.817 17.718 ( 0.513 0.444 0.501) 0.844 18.126 ( -0.282 2.414 -4.393) 5.020 18.231 ( -1.888 -0.513 -2.048) 2.832 18.314 ( -6.882 -1.197 0.486) 7.003 18.342 ( -5.874 -1.641 -3.419) 6.992 18.794 ( 1.911 2.687 2.255) 3.995 18.914 ( 0.802 -2.533 0.520) 2.708 19.056 ( 0.430 1.815 1.559) 2.431 19.078 ( -0.197 0.400 2.108) 2.155 21.018 ( -0.149 4.843 0.293) 4.854 21.135 ( 0.624 6.381 0.479) 6.430 21.153 ( 0.550 -0.597 0.082) 0.816 21.330 ( 1.709 -1.745 -0.772) 2.562 21.365 ( -1.349 -1.862 -0.363) 2.328 21.401 ( -1.355 -3.288 0.280) 3.567 21.594 ( 1.850 1.585 -0.568) 2.501 21.669 ( 4.345 -1.518 -2.412) 5.197 26.802 ( 0.283 1.573 0.904) 1.836 26.853 ( 0.051 -0.910 0.650) 1.119 26.880 ( 0.256 0.918 -0.995) 1.378 26.922 ( 0.295 -1.164 -0.707) 1.394 27.666 ( -0.007 0.256 0.065) 0.265 27.673 ( -0.421 -0.031 -0.403) 0.584 27.732 ( -0.764 -0.082 0.050) 0.770 27.736 ( -0.505 -0.327 -0.254) 0.653 35.679 ( -0.523 3.115 3.322) 4.584 35.810 ( -0.820 -3.057 3.684) 4.857 35.950 ( 1.203 3.743 -3.191) 5.063 36.062 ( 0.116 -1.682 -2.286) 2.840 36.909 ( -3.251 1.829 4.310) 5.700 37.000 ( -2.529 -2.634 2.698) 4.540 37.544 ( -2.501 4.826 2.038) 5.805 37.618 ( 2.510 0.736 -0.911) 2.770 37.719 ( 5.148 -1.156 -2.446) 5.816 37.786 ( -7.899 -3.740 -2.271) 9.030 37.975 ( -7.730 1.032 0.200) 7.801 38.050 ( -11.650 -3.244 1.572) 12.195 38.377 ( 2.549 10.307 3.131) 11.069 38.977 ( 5.188 -17.379 -1.410) 18.192 39.876 ( 1.217 -1.486 -4.633) 5.015 39.988 ( -0.449 -6.921 -0.343) 6.944 ======================= Grid point 87 (45/100) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -1.037 -9.637 -1.455) 9.801 1.858 ( -1.037 9.637 -1.455) 9.801 2.178 ( 7.236 -8.453 1.324) 11.206 2.178 ( 7.236 8.453 1.324) 11.206 2.223 ( -3.964 -8.325 -1.767) 9.389 2.223 ( -3.964 8.325 -1.767) 9.389 2.540 ( -2.209 -5.579 5.778) 8.330 2.540 ( -2.209 5.579 5.778) 8.330 2.706 ( 3.596 -5.353 -1.311) 6.581 2.706 ( 3.596 5.353 -1.311) 6.581 2.955 ( -0.381 -1.334 2.687) 3.024 2.955 ( -0.381 1.334 2.687) 3.024 3.750 ( 0.557 -10.229 0.207) 10.247 3.750 ( 0.557 10.229 0.207) 10.247 4.077 ( -8.182 -0.754 5.748) 10.028 4.077 ( -8.182 0.754 5.748) 10.028 4.420 ( 3.990 -4.210 2.668) 6.384 4.420 ( 3.990 4.210 2.668) 6.384 4.664 ( 4.489 -3.956 9.650) 11.355 4.664 ( 4.489 3.957 9.650) 11.355 4.784 ( 2.768 -4.382 -1.926) 5.529 4.784 ( 2.768 4.382 -1.926) 5.529 5.125 ( -7.074 -1.967 -6.236) 9.634 5.125 ( -7.074 1.967 -6.236) 9.634 5.349 ( 4.640 -4.670 -2.621) 7.085 5.349 ( 4.640 4.670 -2.621) 7.085 5.493 ( -2.600 -5.663 0.449) 6.247 5.493 ( -2.600 5.663 0.449) 6.247 5.709 ( -0.682 -3.513 0.644) 3.636 5.709 ( -0.682 3.513 0.644) 3.636 5.793 ( -1.181 -3.706 8.254) 9.124 5.793 ( -1.181 3.706 8.254) 9.124 6.375 ( -0.707 -4.789 -1.247) 4.999 6.375 ( -0.707 4.789 -1.247) 4.999 6.494 ( -1.783 -2.627 -3.498) 4.724 6.494 ( -1.783 2.627 -3.498) 4.724 7.006 ( 1.282 -3.661 5.416) 6.662 7.006 ( 1.282 3.661 5.416) 6.662 7.161 ( -7.827 -7.637 -2.376) 11.191 7.161 ( -7.827 7.637 -2.376) 11.191 7.359 ( 0.525 -6.757 4.994) 8.419 7.359 ( 0.525 6.757 4.994) 8.419 7.494 ( 8.887 -4.455 5.050) 11.150 7.494 ( 8.887 4.455 5.050) 11.150 7.774 ( -2.482 -0.783 -4.857) 5.510 7.774 ( -2.482 0.783 -4.857) 5.510 7.860 ( -2.013 -4.955 -3.143) 6.204 7.860 ( -2.013 4.955 -3.143) 6.204 8.086 ( 0.050 -3.055 0.076) 3.056 8.086 ( 0.050 3.055 0.076) 3.056 8.229 ( -1.660 -5.790 2.807) 6.645 8.229 ( -1.660 5.790 2.807) 6.645 8.528 ( 3.764 -4.345 -6.445) 8.636 8.528 ( 3.764 4.345 -6.445) 8.636 8.871 ( 1.697 -5.411 6.968) 8.984 8.871 ( 1.697 5.411 6.968) 8.984 9.380 ( 1.273 -0.773 2.876) 3.239 9.380 ( 1.273 0.773 2.876) 3.239 9.479 ( -1.687 -9.527 -7.956) 12.526 9.479 ( -1.687 9.527 -7.956) 12.526 9.634 ( 1.654 -5.368 -5.071) 7.568 9.634 ( 1.654 5.368 -5.071) 7.568 9.945 ( -1.881 -3.853 -4.345) 6.105 9.945 ( -1.881 3.853 -4.345) 6.105 10.164 ( 0.245 -10.104 -3.052) 10.558 10.164 ( 0.245 10.104 -3.052) 10.558 10.915 ( 0.242 -2.773 0.401) 2.812 10.915 ( 0.242 2.773 0.401) 2.812 11.464 ( 0.270 -3.567 0.495) 3.611 11.464 ( 0.270 3.567 0.495) 3.611 11.645 ( -1.511 -3.437 -3.996) 5.483 11.645 ( -1.511 3.437 -3.996) 5.483 12.431 ( -0.175 -2.786 1.346) 3.099 12.431 ( -0.175 2.786 1.346) 3.099 12.572 ( -1.729 -3.373 0.136) 3.793 12.572 ( -1.729 3.373 0.136) 3.793 12.830 ( 0.414 -4.229 1.114) 4.393 12.830 ( 0.414 4.229 1.114) 4.393 12.998 ( 2.646 -0.620 0.735) 2.815 12.998 ( 2.646 0.620 0.735) 2.815 14.261 ( 1.460 -4.319 1.650) 4.848 14.261 ( 1.460 4.319 1.650) 4.848 14.746 ( 1.516 -5.830 2.435) 6.498 14.746 ( 1.516 5.830 2.435) 6.498 14.949 ( 0.360 -7.064 -4.724) 8.506 14.949 ( 0.360 7.064 -4.724) 8.506 15.329 ( -3.207 -4.011 5.196) 7.306 15.329 ( -3.207 4.011 5.196) 7.306 15.535 ( 0.001 -2.108 -2.378) 3.178 15.535 ( 0.001 2.108 -2.378) 3.178 16.053 ( 0.745 -3.503 1.259) 3.796 16.053 ( 0.745 3.503 1.259) 3.796 16.375 ( 0.007 -2.449 2.414) 3.439 16.375 ( 0.007 2.449 2.414) 3.439 16.525 ( -4.707 -1.117 1.076) 4.956 16.525 ( -4.707 1.117 1.076) 4.956 16.859 ( -0.664 -1.534 -3.625) 3.992 16.859 ( -0.664 1.534 -3.625) 3.992 17.180 ( 0.545 -0.743 1.053) 1.399 17.180 ( 0.545 0.743 1.053) 1.399 17.460 ( 1.840 -0.645 1.459) 2.435 17.460 ( 1.840 0.645 1.459) 2.435 17.740 ( 1.592 -2.229 -0.334) 2.759 17.740 ( 1.592 2.229 -0.334) 2.759 18.175 ( 1.553 -3.188 -4.982) 6.115 18.175 ( 1.553 3.188 -4.982) 6.115 18.201 ( 0.143 -2.211 -0.802) 2.356 18.201 ( 0.143 2.211 -0.802) 2.356 18.881 ( -1.024 -2.389 2.892) 3.888 18.881 ( -1.024 2.389 2.892) 3.888 19.085 ( -0.773 -0.356 1.159) 1.438 19.085 ( -0.773 0.356 1.159) 1.438 21.113 ( -0.063 -3.855 0.454) 3.882 21.113 ( -0.063 3.855 0.454) 3.882 21.271 ( -0.193 -5.831 0.814) 5.890 21.271 ( -0.193 5.831 0.814) 5.890 21.346 ( 0.624 -0.176 -0.177) 0.672 21.346 ( 0.624 0.176 -0.177) 0.672 21.628 ( -0.194 -2.007 -3.264) 3.837 21.628 ( -0.194 2.007 -3.264) 3.837 26.833 ( -0.534 -1.162 0.456) 1.358 26.833 ( -0.534 1.162 0.456) 1.358 26.905 ( 0.733 -1.001 -0.191) 1.256 26.905 ( 0.733 1.001 -0.191) 1.256 27.668 ( 0.097 -0.332 -0.027) 0.347 27.668 ( 0.097 0.332 -0.027) 0.347 27.724 ( 0.032 -0.305 -0.325) 0.447 27.724 ( 0.032 0.305 -0.325) 0.447 35.777 ( -1.060 -4.149 5.529) 6.993 35.777 ( -1.060 4.149 5.529) 6.993 36.035 ( 2.970 -3.327 -0.219) 4.465 36.035 ( 2.970 3.327 -0.219) 4.465 36.964 ( -0.326 -1.738 5.904) 6.163 36.964 ( -0.326 1.738 5.904) 6.163 37.554 ( -3.708 -2.580 -1.751) 4.845 37.554 ( -3.708 2.580 -1.751) 4.845 37.729 ( 2.625 -4.015 -2.515) 5.417 37.729 ( 2.625 4.015 -2.515) 5.417 37.893 ( -1.204 -0.263 -0.559) 1.353 37.893 ( -1.204 0.263 -0.559) 1.353 38.716 ( 1.396 -15.480 3.116) 15.852 38.716 ( 1.396 15.480 3.116) 15.852 39.856 ( -0.825 -2.488 -6.476) 6.986 39.856 ( -0.825 2.488 -6.476) 6.986 ======================= Grid point 89 (46/100) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -2.698 -7.286 1.163) 7.856 1.829 ( -2.698 7.286 1.163) 7.856 2.075 ( -3.362 -5.347 -4.534) 7.775 2.075 ( -3.362 5.347 -4.534) 7.775 2.327 ( 2.105 -11.469 5.896) 13.067 2.327 ( 2.105 11.469 5.896) 13.067 2.564 ( 0.498 -2.804 -1.172) 3.079 2.564 ( 0.498 2.804 -1.172) 3.079 2.803 ( 4.290 -5.586 1.506) 7.202 2.803 ( 4.290 5.586 1.506) 7.202 3.013 ( 4.094 -2.235 2.975) 5.532 3.013 ( 4.094 2.235 2.975) 5.532 3.715 ( -2.957 -5.406 -1.016) 6.245 3.715 ( -2.957 5.406 -1.016) 6.245 4.054 ( -3.476 -1.790 10.985) 11.660 4.054 ( -3.476 1.790 10.985) 11.660 4.441 ( -1.710 -8.036 1.822) 8.416 4.441 ( -1.710 8.036 1.822) 8.416 4.755 ( -0.220 -2.787 -5.134) 5.845 4.755 ( -0.220 2.787 -5.134) 5.845 4.905 ( 4.791 -7.247 -0.064) 8.688 4.905 ( 4.791 7.247 -0.064) 8.688 5.080 ( 7.809 -3.404 7.396) 11.281 5.080 ( 7.809 3.404 7.396) 11.281 5.366 ( 0.794 -5.359 -4.539) 7.067 5.366 ( 0.794 5.359 -4.539) 7.067 5.555 ( 6.342 -3.134 -0.552) 7.096 5.555 ( 6.342 3.134 -0.552) 7.096 5.663 ( -2.380 -7.468 3.357) 8.527 5.663 ( -2.380 7.468 3.357) 8.527 5.941 ( 8.825 -4.069 1.563) 9.843 5.941 ( 8.825 4.069 1.563) 9.843 6.244 ( -4.524 -7.681 -5.829) 10.651 6.244 ( -4.524 7.681 -5.829) 10.651 6.553 ( 2.913 -5.837 4.265) 7.794 6.553 ( 2.913 5.837 4.265) 7.794 6.994 ( -7.731 -8.809 2.259) 11.936 6.994 ( -7.731 8.809 2.259) 11.936 7.047 ( -2.502 -6.728 3.239) 7.875 7.047 ( -2.502 6.728 3.239) 7.875 7.392 ( -2.295 -10.220 3.203) 10.953 7.392 ( -2.295 10.220 3.203) 10.953 7.603 ( -5.252 -2.058 -2.351) 6.111 7.603 ( -5.252 2.058 -2.351) 6.111 7.708 ( 5.580 -1.022 1.690) 5.919 7.708 ( 5.580 1.022 1.690) 5.919 7.835 ( 2.915 -6.678 -0.236) 7.291 7.835 ( 2.915 6.678 -0.236) 7.291 8.143 ( 2.678 -5.172 -1.142) 5.935 8.143 ( 2.678 5.172 -1.142) 5.935 8.274 ( 5.037 -9.563 1.443) 10.904 8.274 ( 5.037 9.563 1.443) 10.904 8.552 ( 3.470 -6.580 -2.881) 7.977 8.552 ( 3.470 6.580 -2.881) 7.977 8.927 ( -2.517 -5.331 4.855) 7.637 8.927 ( -2.517 5.331 4.855) 7.637 9.289 ( -4.503 -6.192 -10.347) 12.871 9.289 ( -4.503 6.192 -10.347) 12.871 9.441 ( -2.856 -1.133 4.821) 5.716 9.441 ( -2.856 1.133 4.821) 5.716 9.532 ( -6.173 -3.780 -4.452) 8.498 9.532 ( -6.173 3.780 -4.452) 8.498 9.853 ( -2.345 -7.213 -6.894) 10.250 9.853 ( -2.345 7.213 -6.894) 10.250 10.074 ( -5.103 -6.654 -2.785) 8.836 10.074 ( -5.103 6.654 -2.785) 8.836 10.937 ( 1.608 -3.664 0.217) 4.007 10.937 ( 1.608 3.664 0.217) 4.007 11.467 ( -0.846 -4.494 -0.052) 4.574 11.467 ( -0.846 4.494 -0.052) 4.574 11.575 ( -0.854 -2.031 -2.892) 3.636 11.575 ( -0.854 2.031 -2.892) 3.636 12.453 ( 0.670 -2.848 1.682) 3.374 12.453 ( 0.670 2.848 1.682) 3.374 12.557 ( 0.224 -3.316 -0.004) 3.324 12.557 ( 0.224 3.316 -0.004) 3.324 12.843 ( 0.091 -5.958 0.425) 5.974 12.843 ( 0.091 5.958 0.425) 5.974 13.078 ( 4.350 -1.674 0.997) 4.766 13.078 ( 4.350 1.674 0.997) 4.766 14.330 ( 3.420 -2.627 0.882) 4.402 14.330 ( 3.420 2.627 0.882) 4.402 14.734 ( -4.014 -7.618 -0.015) 8.611 14.734 ( -4.014 7.618 -0.015) 8.611 14.958 ( 3.192 -4.660 0.354) 5.659 14.958 ( 3.192 4.660 0.354) 5.659 15.253 ( -7.752 -3.563 2.512) 8.893 15.253 ( -7.752 3.563 2.512) 8.893 15.523 ( -0.223 -1.469 -0.383) 1.535 15.523 ( -0.223 1.469 -0.383) 1.535 16.057 ( -0.363 -3.852 -1.387) 4.110 16.057 ( -0.363 3.852 -1.387) 4.110 16.411 ( -1.041 -2.436 2.871) 3.906 16.411 ( -1.041 2.436 2.871) 3.906 16.461 ( -0.815 -0.859 0.972) 1.532 16.461 ( -0.815 0.859 0.972) 1.532 16.815 ( -0.771 -1.013 -3.052) 3.307 16.815 ( -0.771 1.013 -3.052) 3.307 17.202 ( 1.008 -2.210 -0.356) 2.455 17.202 ( 1.008 2.210 -0.356) 2.455 17.466 ( -2.543 -0.455 2.815) 3.820 17.466 ( -2.543 0.455 2.815) 3.821 17.746 ( -0.972 -2.823 0.900) 3.118 17.746 ( -0.972 2.823 0.900) 3.118 18.185 ( 5.925 -1.856 -5.683) 8.417 18.185 ( 5.925 1.856 -5.683) 8.417 18.287 ( 7.501 -2.527 -0.896) 7.966 18.287 ( 7.501 2.527 -0.896) 7.966 18.865 ( -3.192 -2.104 1.699) 4.183 18.865 ( -3.192 2.104 1.699) 4.183 19.079 ( -1.325 -0.876 2.111) 2.642 19.079 ( -1.325 0.876 2.111) 2.642 21.112 ( -0.577 -2.760 0.522) 2.868 21.112 ( -0.577 2.760 0.522) 2.868 21.264 ( -0.943 -5.503 0.394) 5.597 21.264 ( -0.943 5.503 0.394) 5.597 21.373 ( 1.657 -0.588 0.439) 1.812 21.373 ( 1.657 0.588 0.439) 1.812 21.573 ( -1.662 -1.106 -3.405) 3.947 21.573 ( -1.662 1.106 -3.405) 3.947 26.822 ( -1.000 -1.238 0.413) 1.644 26.822 ( -1.000 1.238 0.413) 1.644 26.918 ( 0.752 -0.809 -0.149) 1.115 26.918 ( 0.752 0.809 -0.149) 1.115 27.674 ( 0.541 -0.611 0.024) 0.817 27.674 ( 0.541 0.611 0.024) 0.817 27.727 ( 0.586 -0.524 -0.327) 0.851 27.727 ( 0.586 0.524 -0.327) 0.851 35.795 ( -2.276 -4.987 4.319) 6.978 35.795 ( -2.276 4.987 4.319) 6.978 36.110 ( 4.006 -4.189 0.950) 5.873 36.110 ( 4.006 4.189 0.950) 5.873 37.031 ( -0.633 -1.043 7.825) 7.920 37.031 ( -0.633 1.043 7.825) 7.920 37.481 ( -0.350 -2.084 -5.914) 6.280 37.481 ( -0.350 2.084 -5.914) 6.280 37.744 ( 2.645 -4.151 -0.868) 4.997 37.744 ( 2.645 4.151 -0.868) 4.997 37.958 ( 7.230 -0.543 -0.603) 7.275 37.958 ( 7.230 0.543 -0.603) 7.275 38.746 ( -2.453 -13.776 4.249) 14.624 38.746 ( -2.453 13.776 4.249) 14.624 39.758 ( -1.607 -2.311 -7.234) 7.762 39.758 ( -1.607 2.311 -7.234) 7.762 ======================= Grid point 91 (47/100) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -4.143 -6.595 1.745) 7.982 1.769 ( -4.143 6.595 1.745) 7.982 2.043 ( 2.934 -6.660 -3.802) 8.211 2.043 ( 2.934 6.660 -3.802) 8.211 2.339 ( -4.558 -6.790 2.615) 8.586 2.339 ( -4.558 6.790 2.615) 8.586 2.554 ( -0.403 -4.888 -1.005) 5.006 2.554 ( -0.403 4.888 -1.005) 5.006 2.870 ( 2.546 -2.032 1.213) 3.477 2.870 ( 2.546 2.032 1.213) 3.477 3.125 ( 4.012 -1.638 0.859) 4.418 3.125 ( 4.012 1.638 0.859) 4.418 3.682 ( -0.240 -6.704 0.723) 6.747 3.682 ( -0.240 6.704 0.723) 6.747 4.058 ( -5.132 -0.815 4.681) 6.994 4.058 ( -5.132 0.815 4.681) 6.994 4.397 ( -4.365 -7.211 1.587) 8.578 4.397 ( -4.365 7.211 1.587) 8.578 4.759 ( 4.541 -6.984 -1.125) 8.406 4.759 ( 4.541 6.984 -1.125) 8.406 5.009 ( 5.452 -10.002 1.010) 11.436 5.009 ( 5.452 10.002 1.010) 11.436 5.225 ( 1.605 -5.100 -1.264) 5.494 5.225 ( 1.605 5.100 -1.264) 5.494 5.353 ( 0.905 -5.077 -0.181) 5.160 5.353 ( 0.905 5.077 -0.181) 5.160 5.534 ( 0.099 -5.585 -5.400) 7.769 5.534 ( 0.099 5.585 -5.400) 7.769 5.817 ( 8.981 -2.399 -0.685) 9.321 5.817 ( 8.981 2.399 -0.685) 9.321 6.041 ( 2.221 -7.246 3.752) 8.456 6.041 ( 2.221 7.246 3.752) 8.456 6.253 ( 4.685 -2.765 4.778) 7.240 6.253 ( 4.685 2.765 4.778) 7.240 6.617 ( -2.469 -6.435 2.296) 7.265 6.617 ( -2.469 6.435 2.296) 7.265 6.842 ( -7.930 -4.158 3.118) 9.482 6.842 ( -7.930 4.158 3.118) 9.482 7.076 ( 2.905 -3.398 2.166) 4.968 7.076 ( 2.905 3.398 2.166) 4.968 7.324 ( -2.655 -2.927 -3.209) 5.090 7.324 ( -2.655 2.927 -3.209) 5.090 7.549 ( -4.914 -4.183 3.431) 7.309 7.549 ( -4.914 4.183 3.431) 7.309 7.772 ( 3.196 -6.644 0.438) 7.386 7.772 ( 3.196 6.644 0.438) 7.386 7.930 ( 1.229 -4.319 4.264) 6.192 7.930 ( 1.229 4.319 4.264) 6.192 8.131 ( 0.492 -1.635 -6.798) 7.009 8.131 ( 0.492 1.635 -6.798) 7.009 8.385 ( 3.089 -5.935 2.526) 7.152 8.385 ( 3.089 5.935 2.526) 7.152 8.617 ( 6.465 -2.156 -3.085) 7.481 8.617 ( 6.465 2.156 -3.085) 7.481 8.902 ( -1.298 -2.849 1.545) 3.491 8.902 ( -1.298 2.849 1.545) 3.491 9.115 ( -4.311 -2.537 -7.220) 8.784 9.115 ( -4.311 2.537 -7.220) 8.784 9.336 ( -6.027 -2.362 -2.254) 6.855 9.336 ( -6.027 2.362 -2.254) 6.855 9.428 ( -5.660 -3.796 1.304) 6.939 9.428 ( -5.660 3.796 1.304) 6.939 9.741 ( -2.476 -9.215 -1.572) 9.670 9.741 ( -2.476 9.215 -1.572) 9.670 9.992 ( -1.406 -4.834 -1.463) 5.242 9.992 ( -1.406 4.834 -1.463) 5.242 10.971 ( 1.415 -3.142 0.631) 3.503 10.971 ( 1.415 3.142 0.631) 3.503 11.439 ( -1.168 -4.092 0.081) 4.256 11.439 ( -1.168 4.092 0.081) 4.256 11.568 ( 1.185 -1.434 -0.783) 2.018 11.568 ( 1.185 1.434 -0.783) 2.018 12.472 ( -0.518 -3.345 1.518) 3.710 12.472 ( -0.518 3.345 1.518) 3.710 12.582 ( 1.858 -2.923 0.683) 3.530 12.582 ( 1.858 2.923 0.683) 3.530 12.837 ( -0.225 -5.457 -1.549) 5.677 12.837 ( -0.225 5.457 -1.549) 5.677 13.152 ( 2.718 -3.406 -0.975) 4.466 13.152 ( 2.718 3.406 -0.975) 4.466 14.386 ( 2.411 -0.614 -0.652) 2.572 14.386 ( 2.411 0.614 -0.652) 2.572 14.642 ( -3.514 -5.731 -2.640) 7.222 14.642 ( -3.514 5.731 -2.640) 7.222 15.035 ( 2.085 -3.370 2.966) 4.950 15.035 ( 2.085 3.370 2.966) 4.950 15.142 ( -6.550 -2.379 4.530) 8.312 15.142 ( -6.550 2.379 4.530) 8.312 15.508 ( -1.042 -2.358 0.148) 2.582 15.508 ( -1.042 2.358 0.148) 2.582 16.037 ( 2.030 -3.532 -5.075) 6.507 16.037 ( 2.030 3.532 -5.075) 6.507 16.374 ( -2.731 -0.409 0.666) 2.840 16.374 ( -2.731 0.409 0.666) 2.840 16.486 ( -1.243 -0.458 2.522) 2.849 16.486 ( -1.243 0.458 2.522) 2.849 16.797 ( 0.589 -0.196 1.123) 1.284 16.797 ( 0.589 0.196 1.123) 1.284 17.205 ( 0.240 -2.502 -0.525) 2.567 17.205 ( 0.240 2.502 -0.525) 2.567 17.459 ( -0.924 -2.749 2.017) 3.532 17.459 ( -0.924 2.749 2.017) 3.532 17.729 ( -1.481 -4.634 0.515) 4.892 17.729 ( -1.481 4.634 0.515) 4.892 18.246 ( 5.280 -1.029 -4.632) 7.099 18.246 ( 5.280 1.029 -4.632) 7.099 18.426 ( 7.236 -2.254 -0.721) 7.613 18.426 ( 7.236 2.254 -0.721) 7.613 18.803 ( -3.188 -2.050 -1.313) 4.011 18.803 ( -3.188 2.050 -1.313) 4.011 19.078 ( -1.939 -0.869 3.678) 4.248 19.078 ( -1.939 0.869 3.678) 4.248 21.103 ( -0.801 -1.531 0.487) 1.795 21.103 ( -0.801 1.531 0.487) 1.795 21.249 ( -0.564 -5.461 -0.402) 5.505 21.249 ( -0.564 5.461 -0.402) 5.505 21.407 ( 1.505 -1.946 0.200) 2.468 21.407 ( 1.505 1.946 0.200) 2.468 21.520 ( -1.169 -0.792 -1.331) 1.940 21.520 ( -1.169 0.792 -1.331) 1.940 26.808 ( -0.846 -1.617 0.554) 1.907 26.808 ( -0.846 1.617 0.554) 1.907 26.926 ( 0.422 -0.749 -0.557) 1.024 26.926 ( 0.422 0.749 -0.557) 1.024 27.686 ( 0.610 -0.711 -0.099) 0.941 27.686 ( 0.610 0.711 -0.099) 0.941 27.736 ( 0.536 -0.533 -0.171) 0.775 27.736 ( 0.536 0.533 -0.171) 0.775 35.780 ( -2.474 -4.980 2.247) 5.998 35.780 ( -2.474 4.980 2.247) 5.998 36.172 ( 2.084 -4.445 -1.492) 5.131 36.172 ( 2.084 4.445 -1.492) 5.131 37.065 ( -2.958 -1.312 6.064) 6.873 37.065 ( -2.958 1.312 6.064) 6.873 37.428 ( 1.332 -1.486 -5.506) 5.857 37.428 ( 1.332 1.486 -5.506) 5.857 37.835 ( 5.155 -6.613 1.741) 8.563 37.835 ( 5.155 6.613 1.741) 8.563 38.100 ( 7.681 -3.354 -0.386) 8.390 38.100 ( 7.681 3.354 -0.386) 8.390 38.694 ( -5.911 -12.783 1.264) 14.140 38.694 ( -5.911 12.783 1.264) 14.140 39.694 ( 0.738 -8.467 -2.760) 8.936 39.694 ( 0.738 8.467 -2.760) 8.936 ======================= Grid point 93 (48/100) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -0.142 -5.554 2.436) 6.067 1.745 ( -0.142 5.554 2.436) 6.067 2.057 ( 1.601 -5.255 -3.838) 6.701 2.057 ( 1.601 5.255 -3.838) 6.701 2.254 ( -3.641 -4.358 -2.054) 6.038 2.254 ( -3.641 4.358 -2.054) 6.038 2.553 ( 1.141 -3.698 0.660) 3.926 2.553 ( 1.141 3.698 0.660) 3.926 2.918 ( -0.209 -1.834 2.724) 3.290 2.918 ( -0.209 1.834 2.724) 3.290 3.138 ( -1.985 -1.924 -2.325) 3.612 3.138 ( -1.985 1.924 -2.325) 3.612 3.707 ( 0.793 -6.549 2.898) 7.206 3.707 ( 0.793 6.549 2.898) 7.206 3.967 ( -5.229 -3.015 -2.046) 6.374 3.967 ( -5.229 3.015 -2.046) 6.374 4.360 ( -0.797 -5.321 1.793) 5.671 4.360 ( -0.797 5.321 1.793) 5.671 4.815 ( 2.154 -9.153 -1.607) 9.539 4.815 ( 2.154 9.153 -1.607) 9.539 5.048 ( -2.489 -9.249 1.151) 9.647 5.048 ( -2.489 9.249 1.151) 9.648 5.213 ( -1.883 -5.077 -1.740) 5.688 5.213 ( -1.883 5.077 -1.740) 5.688 5.394 ( 2.618 -0.421 -0.399) 2.681 5.394 ( 2.618 0.421 -0.399) 2.681 5.521 ( 4.359 -5.026 -3.803) 7.663 5.521 ( 4.359 5.026 -3.803) 7.663 5.851 ( -2.574 -3.626 -2.014) 4.881 5.851 ( -2.574 3.626 -2.014) 4.881 6.159 ( -1.163 -9.234 2.941) 9.760 6.159 ( -1.163 9.234 2.941) 9.760 6.312 ( -1.839 -1.853 6.335) 6.851 6.312 ( -1.839 1.853 6.335) 6.851 6.596 ( 2.162 -1.423 8.659) 9.038 6.596 ( 2.162 1.423 8.659) 9.038 6.827 ( -0.880 -3.186 4.206) 5.349 6.827 ( -0.880 3.186 4.206) 5.349 7.111 ( -6.544 -4.978 -3.804) 9.060 7.111 ( -6.544 4.978 -3.804) 9.060 7.275 ( 6.717 -5.354 -1.219) 8.675 7.275 ( 6.717 5.354 -1.219) 8.675 7.495 ( -3.958 -6.179 2.909) 7.894 7.495 ( -3.958 6.179 2.909) 7.894 7.786 ( -4.387 -4.220 -5.026) 7.894 7.786 ( -4.387 4.220 -5.026) 7.894 7.826 ( -3.776 -5.317 -3.515) 7.408 7.826 ( -3.776 5.317 -3.515) 7.408 8.237 ( 10.872 -6.646 2.836) 13.055 8.237 ( 10.872 6.646 2.836) 13.055 8.367 ( -3.418 -6.600 -1.311) 7.547 8.367 ( -3.418 6.600 -1.311) 7.547 8.741 ( 2.655 -4.558 0.940) 5.358 8.741 ( 2.655 4.558 0.940) 5.358 8.825 ( -4.697 -5.676 -4.822) 8.805 8.825 ( -4.697 5.676 -4.822) 8.805 9.077 ( 4.802 -2.318 -4.436) 6.936 9.077 ( 4.802 2.318 -4.436) 6.936 9.220 ( -1.915 -6.957 0.776) 7.258 9.220 ( -1.915 6.957 0.776) 7.258 9.412 ( 3.459 -4.561 1.404) 5.894 9.412 ( 3.459 4.561 1.404) 5.894 9.767 ( 2.875 -6.546 4.485) 8.441 9.767 ( 2.875 6.546 4.485) 8.441 9.975 ( 0.914 -5.058 -1.397) 5.326 9.975 ( 0.914 5.058 -1.397) 5.326 10.994 ( 0.004 -2.692 0.825) 2.815 10.994 ( 0.004 2.692 0.825) 2.815 11.439 ( 0.410 -4.370 1.233) 4.559 11.439 ( 0.410 4.370 1.233) 4.559 11.585 ( 0.936 -2.056 0.174) 2.265 11.585 ( 0.936 2.056 0.174) 2.265 12.467 ( -1.141 -2.706 0.928) 3.079 12.467 ( -1.141 2.706 0.928) 3.079 12.618 ( 0.385 -2.605 1.611) 3.087 12.618 ( 0.385 2.605 1.611) 3.087 12.811 ( 0.048 -4.353 -2.921) 5.243 12.811 ( 0.048 4.353 -2.921) 5.243 13.143 ( -0.925 -2.559 -3.974) 4.817 13.143 ( -0.925 2.559 -3.974) 4.817 14.400 ( -0.434 -3.207 -1.138) 3.431 14.400 ( -0.434 3.207 -1.138) 3.431 14.583 ( 1.042 -1.595 -3.265) 3.781 14.583 ( 1.042 1.595 -3.265) 3.781 15.036 ( -2.628 -5.017 0.516) 5.688 15.036 ( -2.628 5.017 0.516) 5.688 15.145 ( -1.216 -2.855 8.304) 8.865 15.145 ( -1.216 2.855 8.304) 8.865 15.505 ( 0.564 -2.664 0.775) 2.831 15.505 ( 0.564 2.664 0.775) 2.831 16.036 ( 3.740 -3.859 -6.816) 8.680 16.036 ( 3.740 3.859 -6.816) 8.680 16.341 ( -1.582 -0.921 1.421) 2.317 16.341 ( -1.582 0.921 1.421) 2.317 16.478 ( -0.204 -1.677 0.941) 1.934 16.478 ( -0.204 1.677 0.941) 1.934 16.846 ( 0.664 -1.466 5.340) 5.577 16.846 ( 0.664 1.466 5.340) 5.577 17.209 ( 0.335 -2.566 -0.101) 2.590 17.209 ( 0.335 2.566 -0.101) 2.590 17.441 ( -2.568 -3.175 0.083) 4.084 17.441 ( -2.568 3.175 0.083) 4.084 17.708 ( -0.582 -4.168 -0.548) 4.244 17.708 ( -0.582 4.168 -0.548) 4.244 18.278 ( 1.940 -0.624 -3.424) 3.984 18.278 ( 1.940 0.624 -3.424) 3.984 18.506 ( 0.329 -1.400 0.765) 1.629 18.506 ( 0.329 1.400 0.765) 1.629 18.754 ( 1.906 -2.901 -4.143) 5.405 18.754 ( 1.906 2.901 -4.143) 5.405 19.073 ( -2.591 -0.411 4.165) 4.922 19.073 ( -2.591 0.411 4.165) 4.922 21.096 ( -0.376 -1.904 0.403) 1.983 21.096 ( -0.376 1.904 0.403) 1.983 21.238 ( 0.179 -5.377 -1.015) 5.475 21.238 ( 0.179 5.377 -1.015) 5.475 21.419 ( -0.536 -1.876 -0.207) 1.963 21.419 ( -0.536 1.876 -0.207) 1.963 21.519 ( 1.645 -0.210 0.619) 1.770 21.519 ( 1.645 0.210 0.619) 1.770 26.805 ( -0.162 -1.809 0.805) 1.987 26.805 ( -0.162 1.809 0.805) 1.987 26.922 ( 0.017 -0.817 -1.059) 1.338 26.922 ( 0.017 0.817 -1.059) 1.338 27.690 ( -0.026 -0.756 -0.336) 0.827 27.690 ( -0.026 0.756 -0.336) 0.827 27.742 ( 0.170 -0.050 0.044) 0.183 27.742 ( 0.170 0.050 0.044) 0.183 35.754 ( -1.820 -4.576 1.090) 5.044 35.754 ( -1.820 4.576 1.090) 5.044 36.148 ( -0.904 -4.185 -5.078) 6.642 36.148 ( -0.904 4.185 -5.078) 6.642 37.045 ( -4.065 -1.698 3.802) 5.819 37.045 ( -4.065 1.698 3.802) 5.819 37.448 ( 5.000 -1.130 -2.587) 5.742 37.448 ( 5.000 1.130 -2.587) 5.742 37.897 ( -1.891 -8.670 2.490) 9.216 37.897 ( -1.891 8.670 2.490) 9.216 38.217 ( 2.703 -5.605 2.105) 6.569 38.217 ( 2.703 5.605 2.105) 6.569 38.577 ( -3.595 -13.361 -3.743) 14.334 38.577 ( -3.595 13.361 -3.743) 14.334 39.735 ( 3.532 -8.887 1.979) 9.765 39.735 ( 3.532 8.887 1.979) 9.765 ======================= Grid point 95 (49/100) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 3.974 -8.395 3.210) 9.827 1.812 ( 3.974 8.395 3.210) 9.827 2.019 ( -1.319 -6.047 -3.175) 6.956 2.019 ( -1.319 6.047 -3.175) 6.956 2.197 ( 0.725 -3.848 -3.616) 5.330 2.197 ( 0.725 3.848 -3.616) 5.330 2.604 ( 3.648 -1.787 -0.566) 4.102 2.604 ( 3.648 1.787 -0.566) 4.102 2.882 ( -7.499 -4.828 2.841) 9.360 2.882 ( -7.499 4.828 2.841) 9.360 3.041 ( -4.664 -3.140 -2.186) 6.032 3.041 ( -4.664 3.140 -2.186) 6.032 3.775 ( 3.282 -3.016 3.080) 5.418 3.775 ( 3.282 3.016 3.080) 5.418 3.854 ( -4.112 -4.006 0.358) 5.752 3.854 ( -4.112 4.006 0.358) 5.752 4.395 ( 2.207 -3.763 1.235) 4.534 4.395 ( 2.207 3.763 1.235) 4.534 4.814 ( -0.605 -9.024 -4.357) 10.039 4.814 ( -0.605 9.024 -4.357) 10.039 4.969 ( -8.693 -1.559 -2.443) 9.163 4.969 ( -8.693 1.559 -2.443) 9.163 5.101 ( -4.602 -9.957 3.188) 11.423 5.101 ( -4.602 9.957 3.188) 11.423 5.401 ( 2.902 -3.725 -4.347) 6.418 5.401 ( 2.902 3.725 -4.347) 6.418 5.586 ( 0.469 -4.116 -0.063) 4.143 5.586 ( 0.469 4.116 -0.063) 4.143 5.738 ( -6.588 -3.340 2.263) 7.725 5.738 ( -6.588 3.340 2.263) 7.725 6.039 ( -6.937 -4.698 -0.998) 8.438 6.039 ( -6.937 4.698 -0.998) 8.438 6.474 ( -1.971 -1.938 11.534) 11.860 6.474 ( -1.971 1.938 11.534) 11.860 6.616 ( -2.936 -3.302 3.968) 5.939 6.616 ( -2.936 3.302 3.968) 5.939 6.842 ( -2.543 -5.716 0.170) 6.258 6.842 ( -2.543 5.716 0.170) 6.258 7.030 ( 4.051 -3.312 3.998) 6.585 7.030 ( 4.051 3.312 3.998) 6.585 7.341 ( -2.190 -6.842 -3.823) 8.138 7.341 ( -2.190 6.842 -3.823) 8.138 7.512 ( 8.986 -6.102 -1.295) 10.939 7.512 ( 8.986 6.102 -1.295) 10.939 7.603 ( -5.002 -2.022 -5.162) 7.467 7.603 ( -5.002 2.022 -5.162) 7.467 7.846 ( 2.583 -3.796 1.827) 4.942 7.846 ( 2.583 3.796 1.827) 4.942 8.261 ( -4.451 -3.771 -0.254) 5.839 8.261 ( -4.451 3.771 -0.254) 5.839 8.442 ( 0.375 -7.048 1.994) 7.335 8.442 ( 0.375 7.048 1.994) 7.335 8.652 ( -4.686 -3.012 -0.194) 5.573 8.652 ( -4.686 3.012 -0.194) 5.573 8.689 ( -1.889 -4.472 -7.257) 8.731 8.689 ( -1.889 4.472 -7.257) 8.731 9.242 ( 6.977 -6.795 -0.145) 9.740 9.242 ( 6.977 6.795 -0.145) 9.740 9.275 ( 11.856 -5.022 -3.033) 13.228 9.275 ( 11.856 5.022 -3.033) 13.228 9.514 ( 3.668 -6.990 3.039) 8.459 9.514 ( 3.668 6.990 3.039) 8.459 9.916 ( 7.206 -6.842 4.106) 10.752 9.916 ( 7.206 6.842 4.106) 10.752 9.997 ( 3.278 -5.200 -1.720) 6.383 9.997 ( 3.278 5.200 -1.720) 6.383 10.975 ( -2.146 -2.907 -0.532) 3.652 10.975 ( -2.146 2.907 -0.532) 3.652 11.461 ( 0.304 -3.892 0.739) 3.973 11.461 ( 0.304 3.892 0.739) 3.973 11.618 ( 1.917 -3.208 1.528) 4.037 11.618 ( 1.917 3.208 1.528) 4.037 12.451 ( -1.361 -1.542 0.783) 2.201 12.451 ( -1.361 1.542 0.783) 2.201 12.624 ( -1.400 -3.626 1.776) 4.273 12.624 ( -1.400 3.626 1.776) 4.273 12.792 ( 0.677 -3.312 -2.029) 3.942 12.792 ( 0.677 3.312 -2.029) 3.942 13.064 ( -2.470 -0.189 -4.470) 5.110 13.064 ( -2.470 0.189 -4.470) 5.110 14.350 ( -2.977 -3.967 -1.641) 5.224 14.350 ( -2.977 3.967 -1.641) 5.224 14.610 ( 3.925 -6.976 -2.302) 8.329 14.610 ( 3.925 6.976 -2.302) 8.329 15.001 ( -0.389 -5.176 -1.428) 5.383 15.001 ( -0.389 5.176 -1.428) 5.383 15.205 ( -1.080 -2.915 8.953) 9.478 15.205 ( -1.080 2.915 8.953) 9.478 15.536 ( 1.414 -2.565 0.567) 2.983 15.536 ( 1.414 2.565 0.567) 2.983 16.036 ( 2.873 -3.940 -6.031) 7.756 16.036 ( 2.873 3.940 -6.031) 7.756 16.344 ( 0.374 -0.758 1.011) 1.317 16.344 ( 0.374 0.758 1.011) 1.317 16.511 ( 1.633 -2.251 2.519) 3.753 16.511 ( 1.633 2.251 2.519) 3.753 16.914 ( -0.156 -2.682 6.650) 7.173 16.914 ( -0.156 2.682 6.650) 7.173 17.197 ( -1.071 -3.739 -1.822) 4.295 17.197 ( -1.071 3.739 -1.822) 4.295 17.383 ( -1.965 -2.217 -0.538) 3.011 17.383 ( -1.965 2.217 -0.538) 3.011 17.698 ( 0.630 -1.978 -1.467) 2.542 17.698 ( 0.630 1.978 -1.467) 2.542 18.246 ( -1.250 -2.011 -3.885) 4.550 18.246 ( -1.250 2.011 -3.885) 4.550 18.451 ( -5.860 -0.697 0.285) 5.908 18.451 ( -5.860 0.697 0.285) 5.908 18.795 ( 4.586 -3.463 -2.041) 6.099 18.795 ( 4.586 3.463 -2.041) 6.099 19.068 ( -1.718 -0.452 3.588) 4.003 19.068 ( -1.718 0.452 3.588) 4.003 21.098 ( 0.180 -2.997 0.380) 3.026 21.098 ( 0.180 2.997 0.380) 3.026 21.239 ( 0.935 -5.269 -0.892) 5.425 21.239 ( 0.935 5.269 -0.892) 5.425 21.392 ( -1.823 -0.692 -0.125) 1.954 21.392 ( -1.823 0.692 -0.125) 1.954 21.577 ( 3.327 -1.347 0.417) 3.614 21.577 ( 3.327 1.347 0.417) 3.614 26.817 ( 0.359 -1.619 0.957) 1.914 26.817 ( 0.359 1.619 0.957) 1.914 26.909 ( -0.114 -0.951 -1.247) 1.572 26.909 ( -0.114 0.951 -1.247) 1.572 27.681 ( -0.465 -0.632 -0.317) 0.847 27.681 ( -0.465 0.632 -0.317) 0.847 27.741 ( -0.342 -0.183 0.024) 0.389 27.741 ( -0.342 0.183 0.024) 0.389 35.738 ( -1.158 -3.951 1.510) 4.385 35.738 ( -1.158 3.951 1.510) 4.385 36.068 ( -1.350 -3.573 -5.416) 6.627 36.068 ( -1.350 3.573 -5.416) 6.627 36.995 ( -4.333 -2.113 2.626) 5.490 36.995 ( -4.333 2.113 2.626) 5.490 37.543 ( 6.150 -1.371 -1.004) 6.380 37.543 ( 6.150 1.371 -1.004) 6.380 37.822 ( -6.950 -7.524 1.416) 10.340 37.822 ( -6.950 7.524 1.416) 10.340 38.175 ( -9.404 -3.449 2.969) 10.447 38.175 ( -9.404 3.449 2.969) 10.447 38.560 ( 5.396 -15.557 -3.844) 16.909 38.560 ( 5.396 15.557 -3.844) 16.909 39.832 ( 3.957 -4.584 1.818) 6.323 39.832 ( 3.957 4.584 1.818) 6.323 ======================= Grid point 97 (50/100) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 0.551 -10.849 -1.368) 10.948 1.891 ( 0.551 10.849 -1.368) 10.948 2.024 ( 5.111 -9.069 2.029) 10.606 2.024 ( 5.111 9.069 2.029) 10.606 2.213 ( 4.000 -5.113 -2.321) 6.895 2.213 ( 4.000 5.113 -2.321) 6.895 2.642 ( -2.744 -3.493 0.288) 4.451 2.642 ( -2.744 3.493 0.288) 4.451 2.706 ( -7.759 -5.919 -0.121) 9.760 2.706 ( -7.759 5.919 -0.120) 9.760 2.965 ( -2.728 -3.097 1.207) 4.300 2.965 ( -2.728 3.097 1.207) 4.300 3.753 ( -0.614 -8.310 -2.981) 8.850 3.753 ( -0.614 8.310 -2.981) 8.850 3.999 ( 6.574 -2.509 13.036) 14.814 3.999 ( 6.574 2.509 13.036) 14.814 4.409 ( -2.758 -2.446 -2.078) 4.232 4.409 ( -2.758 2.446 -2.078) 4.232 4.647 ( -7.037 -2.862 -1.630) 7.770 4.647 ( -7.037 2.862 -1.630) 7.770 4.807 ( -3.185 -3.912 -1.890) 5.387 4.807 ( -3.185 3.912 -1.890) 5.387 5.180 ( 3.467 -5.696 4.566) 8.081 5.180 ( 3.467 5.696 4.566) 8.081 5.372 ( -2.713 -8.625 -6.072) 10.892 5.372 ( -2.713 8.625 -6.072) 10.892 5.551 ( -0.277 -10.876 -1.607) 10.997 5.551 ( -0.277 10.876 -1.607) 10.997 5.698 ( -3.176 -8.585 5.605) 10.733 5.698 ( -3.176 8.585 5.605) 10.733 5.857 ( -11.638 -8.258 3.327) 14.653 5.857 ( -11.638 8.258 3.327) 14.653 6.391 ( -4.087 -3.547 1.279) 5.561 6.391 ( -4.087 3.547 1.279) 5.561 6.630 ( -6.703 -1.710 -0.762) 6.960 6.630 ( -6.703 1.710 -0.762) 6.960 6.879 ( 6.823 -3.092 3.310) 8.190 6.879 ( 6.823 3.092 3.310) 8.190 7.172 ( 7.035 -1.570 1.730) 7.413 7.172 ( 7.035 1.570 1.730) 7.413 7.323 ( -0.194 -12.391 2.984) 12.747 7.323 ( -0.194 12.391 2.984) 12.747 7.445 ( -6.790 -2.365 -0.859) 7.241 7.445 ( -6.790 2.365 -0.859) 7.241 7.699 ( 11.100 -7.879 -3.855) 14.147 7.699 ( 11.100 7.879 -3.855) 14.147 7.908 ( -0.273 -5.080 2.439) 5.642 7.908 ( -0.273 5.080 2.439) 5.642 8.185 ( -5.051 -5.761 0.498) 7.677 8.185 ( -5.051 5.761 0.498) 7.677 8.281 ( -9.062 -4.299 0.265) 10.034 8.281 ( -9.062 4.299 0.265) 10.034 8.573 ( 0.040 -3.059 -10.398) 10.839 8.573 ( 0.040 3.059 -10.398) 10.839 8.746 ( 4.596 -5.241 6.048) 9.229 8.746 ( 4.596 5.241 6.048) 9.229 9.315 ( 3.148 -0.977 0.749) 3.381 9.315 ( 3.148 0.977 0.749) 3.381 9.484 ( 9.719 -6.912 -5.188) 13.006 9.484 ( 9.719 6.912 -5.188) 13.006 9.593 ( 4.009 -8.044 -1.158) 9.062 9.593 ( 4.009 8.044 -1.158) 9.062 9.990 ( 0.046 -4.167 -0.720) 4.229 9.990 ( 0.046 4.167 -0.720) 4.229 10.110 ( 7.319 -9.894 -1.269) 12.372 10.110 ( 7.319 9.894 -1.269) 12.372 10.927 ( -1.702 -2.415 -0.424) 2.985 10.927 ( -1.702 2.415 -0.424) 2.985 11.461 ( -0.342 -3.343 0.170) 3.365 11.461 ( -0.342 3.343 0.170) 3.365 11.667 ( 1.699 -4.612 -0.565) 4.948 11.667 ( 1.699 4.612 -0.565) 4.948 12.434 ( -1.240 -2.081 1.026) 2.631 12.434 ( -1.240 2.081 1.026) 2.631 12.605 ( -2.080 -3.681 1.097) 4.369 12.605 ( -2.080 3.681 1.097) 4.369 12.804 ( 1.262 -0.939 0.571) 1.673 12.804 ( 1.262 0.939 0.571) 1.673 12.991 ( -1.118 -2.053 -2.365) 3.325 12.991 ( -1.118 2.053 -2.365) 3.325 14.274 ( -3.100 -4.531 -0.629) 5.527 14.274 ( -3.100 4.531 -0.629) 5.527 14.674 ( 4.102 -6.731 -0.104) 7.883 14.674 ( 4.102 6.731 -0.104) 7.883 14.985 ( 0.799 -5.690 -3.747) 6.859 14.985 ( 0.799 5.690 -3.747) 6.859 15.283 ( 0.179 -2.777 7.962) 8.435 15.283 ( 0.179 2.777 7.962) 8.435 15.552 ( 0.488 -2.590 -1.111) 2.860 15.552 ( 0.488 2.590 -1.111) 2.860 16.033 ( 1.476 -3.525 -2.247) 4.433 16.033 ( 1.476 3.525 -2.247) 4.433 16.361 ( 0.165 -1.414 1.050) 1.769 16.361 ( 0.165 1.414 1.050) 1.769 16.559 ( -0.821 -1.628 3.688) 4.114 16.559 ( -0.821 1.628 3.688) 4.114 16.921 ( -3.381 -4.084 0.650) 5.341 16.921 ( -3.381 4.084 0.650) 5.341 17.166 ( -0.204 -2.152 0.312) 2.185 17.166 ( -0.204 2.152 0.312) 2.185 17.393 ( 3.410 -2.080 -0.562) 4.033 17.393 ( 3.410 2.080 -0.562) 4.033 17.707 ( 2.001 -1.505 -1.338) 2.839 17.707 ( 2.001 1.505 -1.338) 2.839 18.186 ( -0.251 -3.258 -3.920) 5.103 18.186 ( -0.251 3.258 -3.920) 5.103 18.317 ( -7.595 -0.927 -1.037) 7.722 18.317 ( -7.595 0.927 -1.037) 7.722 18.854 ( 1.693 -3.294 1.375) 3.950 18.854 ( 1.693 3.294 1.375) 3.950 19.079 ( -0.350 -0.544 2.118) 2.214 19.079 ( -0.350 0.544 2.118) 2.214 21.107 ( 0.271 -3.879 0.394) 3.908 21.107 ( 0.271 3.879 0.394) 3.908 21.255 ( 1.149 -5.489 -0.001) 5.608 21.255 ( 1.149 5.489 -0.001) 5.608 21.358 ( -1.364 -0.997 -0.288) 1.714 21.358 ( -1.364 0.997 -0.288) 1.714 21.630 ( 2.344 -2.104 -1.284) 3.401 21.630 ( 2.344 2.104 -1.284) 3.401 26.831 ( 0.135 -1.327 0.774) 1.543 26.831 ( 0.135 1.327 0.774) 1.543 26.900 ( 0.268 -1.104 -0.816) 1.399 26.900 ( 0.268 1.104 -0.816) 1.399 27.671 ( -0.289 -0.203 -0.149) 0.383 27.671 ( -0.289 0.203 -0.149) 0.383 27.732 ( -0.506 -0.115 -0.167) 0.545 27.732 ( -0.506 0.115 -0.167) 0.545 35.745 ( -0.730 -3.484 3.709) 5.141 35.745 ( -0.730 3.484 3.709) 5.141 36.017 ( 0.564 -2.955 -2.997) 4.247 36.017 ( 0.564 2.955 -2.997) 4.247 36.951 ( -2.964 -2.395 3.325) 5.057 36.951 ( -2.964 2.395 3.325) 5.057 37.618 ( -0.263 -1.754 1.558) 2.361 37.618 ( -0.263 1.754 1.558) 2.361 37.717 ( -1.375 -1.947 -3.056) 3.876 37.717 ( -1.375 1.947 -3.056) 3.876 38.002 ( -9.483 -1.742 1.156) 9.710 38.002 ( -9.483 1.742 1.156) 9.710 38.644 ( 4.603 -16.033 -0.036) 16.681 38.644 ( 4.603 16.033 -0.036) 16.681 39.890 ( 1.894 -2.907 -2.195) 4.106 39.890 ( 1.894 2.907 -2.195) 4.106 ======================= Grid point 117 (51/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 1.285 0.000 23.296) 23.331 1.088 ( -4.945 0.000 25.312) 25.791 1.617 ( -1.480 0.000 -6.915) 7.072 1.743 ( 3.857 0.000 -6.543) 7.596 1.814 ( 2.214 0.000 38.691) 38.754 2.261 ( -3.106 0.000 -2.431) 3.944 2.396 ( 4.858 0.000 -5.700) 7.489 2.598 ( 4.289 0.000 -1.795) 4.649 2.895 ( -5.854 0.000 7.346) 9.393 3.047 ( 1.221 0.000 -3.348) 3.564 3.163 ( -0.566 0.000 -6.797) 6.821 3.242 ( 1.000 0.000 -8.963) 9.019 3.720 ( 4.190 0.000 1.041) 4.317 3.830 ( -3.396 0.000 0.159) 3.400 3.967 ( -17.638 0.000 10.904) 20.736 4.333 ( 4.182 0.000 14.039) 14.649 4.451 ( 2.145 0.000 -2.904) 3.610 4.504 ( 2.193 0.000 -3.111) 3.806 4.596 ( 0.364 0.000 -9.530) 9.536 4.681 ( -7.261 0.000 7.752) 10.621 4.919 ( -3.560 0.000 7.495) 8.298 4.931 ( 19.432 0.000 -3.476) 19.740 4.997 ( -4.499 0.000 -1.796) 4.844 5.004 ( -0.998 0.000 14.642) 14.676 5.082 ( 3.000 0.000 -1.107) 3.198 5.397 ( 0.181 0.000 2.905) 2.911 5.565 ( -6.480 0.000 1.698) 6.699 5.584 ( 10.168 0.000 0.083) 10.168 5.752 ( 3.733 0.000 7.750) 8.603 6.008 ( 3.228 0.000 3.742) 4.942 6.256 ( -5.633 0.000 -0.362) 5.644 6.272 ( -4.173 0.000 -7.710) 8.767 6.335 ( -7.201 0.000 -0.842) 7.250 6.362 ( -6.297 0.000 3.639) 7.273 6.481 ( 4.751 0.000 3.910) 6.153 6.483 ( 1.335 0.000 -8.526) 8.630 6.570 ( -2.509 0.000 -1.510) 2.928 6.613 ( -4.022 0.000 1.883) 4.441 6.871 ( -2.606 0.000 8.785) 9.164 6.986 ( -5.612 0.000 1.187) 5.737 7.169 ( 2.195 0.000 12.298) 12.493 7.239 ( 1.727 0.000 14.169) 14.274 7.348 ( -9.158 0.000 2.638) 9.531 7.532 ( 5.822 0.000 -2.070) 6.179 7.640 ( -6.229 0.000 -9.882) 11.681 7.652 ( 7.463 0.000 1.935) 7.710 7.841 ( 0.002 0.000 -3.737) 3.737 7.988 ( 7.405 0.000 -10.119) 12.539 8.181 ( -2.804 0.000 -2.106) 3.507 8.187 ( -10.888 0.000 -4.080) 11.628 8.399 ( 2.366 0.000 -2.167) 3.209 8.490 ( 7.301 0.000 -3.892) 8.273 8.673 ( -5.692 0.000 -7.852) 9.699 8.712 ( -2.665 0.000 3.475) 4.379 8.781 ( 6.583 0.000 -8.166) 10.489 8.891 ( 3.289 0.000 -3.842) 5.057 9.071 ( -10.332 0.000 3.684) 10.969 9.106 ( 7.969 0.000 -2.455) 8.339 9.106 ( 9.533 0.000 2.163) 9.775 9.421 ( 8.427 0.000 -2.856) 8.898 9.515 ( -5.981 0.000 -7.329) 9.460 9.695 ( -7.506 0.000 -10.169) 12.639 9.933 ( -3.996 0.000 7.327) 8.346 10.145 ( 4.201 0.000 -3.827) 5.682 10.335 ( -2.731 0.000 0.015) 2.731 10.429 ( 1.767 0.000 -2.672) 3.203 10.776 ( 5.292 0.000 7.977) 9.572 11.071 ( -2.757 0.000 -5.650) 6.287 11.356 ( -19.303 0.000 -0.796) 19.320 11.422 ( 1.087 0.000 -3.291) 3.466 11.577 ( -2.916 0.000 2.860) 4.084 11.656 ( -0.394 0.000 -1.367) 1.423 12.434 ( -2.006 0.000 1.411) 2.453 12.480 ( -1.309 0.000 -2.102) 2.476 12.638 ( -2.095 0.000 -1.945) 2.858 12.727 ( 2.668 0.000 -3.817) 4.657 12.870 ( -2.886 0.000 6.147) 6.791 13.038 ( 8.089 0.000 -1.658) 8.258 13.131 ( 7.534 0.000 10.062) 12.570 13.469 ( -15.439 0.000 -7.236) 17.051 14.098 ( -3.049 0.000 3.908) 4.957 14.191 ( 4.879 0.000 1.380) 5.070 14.251 ( -0.124 0.000 -1.226) 1.232 14.274 ( 14.969 0.000 -2.998) 15.267 15.047 ( -0.071 0.000 1.976) 1.977 15.161 ( 0.611 0.000 -4.541) 4.581 15.461 ( 1.670 0.000 0.698) 1.810 15.582 ( 1.075 0.000 -2.629) 2.840 15.889 ( -7.754 0.000 6.533) 10.139 15.984 ( 2.778 0.000 -0.925) 2.927 16.043 ( 4.232 0.000 2.746) 5.045 16.194 ( -1.393 0.000 4.383) 4.599 16.280 ( -6.025 0.000 -1.965) 6.337 16.415 ( 0.123 0.000 -3.105) 3.107 16.528 ( -9.858 0.000 2.725) 10.228 16.623 ( 19.162 0.000 -2.629) 19.341 16.897 ( -1.145 0.000 -2.070) 2.365 16.918 ( 3.144 0.000 -2.182) 3.827 17.064 ( -2.355 0.000 -0.001) 2.355 17.174 ( -3.144 0.000 -2.951) 4.312 17.314 ( 3.473 0.000 0.934) 3.597 17.379 ( 1.646 0.000 -1.200) 2.037 17.615 ( -3.324 0.000 3.976) 5.183 17.722 ( 0.806 0.000 1.073) 1.342 17.989 ( -3.819 0.000 -1.405) 4.069 18.069 ( 7.301 0.000 -4.475) 8.563 18.289 ( 0.048 0.000 0.516) 0.519 18.307 ( -0.771 0.000 -1.942) 2.089 18.794 ( -5.853 0.000 3.963) 7.069 18.932 ( 1.373 0.000 -2.524) 2.873 19.031 ( 1.379 0.000 7.055) 7.188 19.185 ( 1.278 0.000 -1.029) 1.640 20.840 ( -0.297 0.000 0.227) 0.373 20.844 ( 0.250 0.000 0.077) 0.262 21.044 ( -1.549 0.000 0.473) 1.619 21.088 ( 0.973 0.000 -1.658) 1.923 21.391 ( -0.719 0.000 1.699) 1.845 21.441 ( 0.306 0.000 -0.839) 0.893 21.587 ( 0.106 0.000 1.359) 1.363 21.635 ( 0.083 0.000 -1.055) 1.058 26.778 ( -0.738 0.000 1.667) 1.823 26.833 ( 0.806 0.000 -1.157) 1.410 26.905 ( 0.525 0.000 1.008) 1.136 26.943 ( -0.170 0.000 -0.856) 0.873 27.647 ( -0.308 0.000 -0.354) 0.469 27.651 ( 0.030 0.000 -0.602) 0.603 27.741 ( -0.304 0.000 0.502) 0.587 27.745 ( 0.236 0.000 0.201) 0.310 35.661 ( -2.212 0.000 3.221) 3.908 35.746 ( 3.165 0.000 -1.409) 3.465 36.179 ( 2.014 0.000 2.760) 3.416 36.205 ( 0.864 0.000 1.004) 1.325 37.191 ( -2.081 0.000 5.978) 6.330 37.398 ( -3.138 0.000 3.485) 4.690 37.484 ( 1.725 0.000 -8.460) 8.634 37.563 ( 4.716 0.000 -5.043) 6.905 37.729 ( 33.042 0.000 0.969) 33.057 37.765 ( -7.989 0.000 -0.439) 8.001 38.008 ( -0.314 0.000 3.622) 3.636 38.128 ( -3.818 0.000 -1.205) 4.004 38.739 ( -50.526 0.000 3.981) 50.683 38.881 ( 18.869 0.000 -2.050) 18.980 39.819 ( 20.967 0.000 1.595) 21.027 39.970 ( -16.944 0.000 -5.706) 17.879 ======================= Grid point 118 (52/100) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 8.850 0.000 17.415) 19.534 1.347 ( 10.019 0.000 13.705) 16.977 1.567 ( 4.219 0.000 -7.535) 8.636 1.751 ( 4.264 0.000 -8.985) 9.945 2.176 ( -4.117 0.000 -1.461) 4.369 2.182 ( 3.316 0.000 12.790) 13.213 2.449 ( 5.181 0.000 -3.276) 6.129 2.638 ( 5.949 0.000 -7.795) 9.805 2.861 ( -3.985 0.000 13.257) 13.843 2.961 ( -7.522 0.000 -1.080) 7.599 3.113 ( -0.181 0.000 -3.277) 3.282 3.181 ( 1.378 0.000 -8.298) 8.412 3.735 ( -4.765 0.000 -5.031) 6.929 3.840 ( 6.357 0.000 2.527) 6.841 3.871 ( -7.990 0.000 21.185) 22.642 4.330 ( -10.716 0.000 -2.523) 11.009 4.393 ( -15.025 0.000 2.447) 15.223 4.455 ( -3.747 0.000 9.730) 10.426 4.512 ( -3.306 0.000 -8.415) 9.041 4.579 ( 1.504 0.000 -6.140) 6.321 4.843 ( -14.026 0.000 2.732) 14.290 4.843 ( -4.440 0.000 -2.802) 5.250 5.105 ( 17.095 0.000 3.190) 17.390 5.313 ( 4.610 0.000 8.234) 9.436 5.328 ( 7.073 0.000 2.840) 7.622 5.391 ( 8.720 0.000 -12.050) 14.874 5.457 ( -2.105 0.000 -0.828) 2.262 5.663 ( 0.642 0.000 -7.286) 7.315 5.939 ( -9.743 0.000 -8.451) 12.898 5.970 ( 1.731 0.000 13.037) 13.151 6.134 ( -0.945 0.000 -4.660) 4.755 6.139 ( 2.597 0.000 4.380) 5.092 6.209 ( -6.607 0.000 3.768) 7.606 6.303 ( -2.866 0.000 2.173) 3.596 6.600 ( 14.950 0.000 -5.275) 15.853 6.613 ( 4.190 0.000 5.000) 6.524 6.660 ( -2.257 0.000 15.578) 15.740 6.707 ( 8.489 0.000 5.689) 10.219 6.934 ( 0.875 0.000 -0.763) 1.160 6.951 ( 6.275 0.000 2.272) 6.673 7.251 ( 1.337 0.000 8.763) 8.865 7.314 ( -10.143 0.000 -0.575) 10.160 7.360 ( 3.999 0.000 11.945) 12.597 7.636 ( 14.414 0.000 -0.918) 14.443 7.667 ( 9.544 0.000 -3.942) 10.326 7.797 ( 3.276 0.000 2.520) 4.133 7.840 ( 1.180 0.000 -5.251) 5.382 7.969 ( -7.839 0.000 0.987) 7.901 8.008 ( 11.323 0.000 -11.739) 16.310 8.143 ( -2.604 0.000 0.786) 2.720 8.349 ( -8.943 0.000 1.095) 9.010 8.498 ( -3.804 0.000 -2.800) 4.723 8.513 ( 0.486 0.000 -7.012) 7.029 8.650 ( -8.469 0.000 4.209) 9.457 8.746 ( 2.399 0.000 -12.150) 12.385 8.859 ( -1.866 0.000 -3.315) 3.804 9.027 ( -7.814 0.000 -4.585) 9.060 9.044 ( -2.865 0.000 -2.844) 4.037 9.123 ( -2.232 0.000 6.443) 6.819 9.449 ( 3.629 0.000 -8.550) 9.288 9.465 ( -4.961 0.000 -3.174) 5.889 9.642 ( 10.126 0.000 4.089) 10.920 9.933 ( -3.563 0.000 5.671) 6.698 10.152 ( 0.766 0.000 -2.775) 2.879 10.292 ( -4.375 0.000 3.133) 5.382 10.380 ( -4.339 0.000 -4.035) 5.925 10.809 ( -11.080 0.000 -1.195) 11.144 10.882 ( -1.772 0.000 6.179) 6.429 11.313 ( 3.120 0.000 3.570) 4.741 11.483 ( 5.886 0.000 2.876) 6.551 11.568 ( -2.150 0.000 3.423) 4.042 11.645 ( 0.444 0.000 0.025) 0.445 12.430 ( -0.128 0.000 1.728) 1.733 12.454 ( 0.143 0.000 -0.482) 0.502 12.612 ( -1.136 0.000 1.882) 2.198 12.752 ( 2.408 0.000 -1.826) 3.022 12.840 ( -2.503 0.000 0.670) 2.591 13.133 ( 3.988 0.000 -5.297) 6.631 13.165 ( -8.041 0.000 -4.894) 9.414 13.385 ( 5.332 0.000 10.700) 11.955 14.053 ( -3.306 0.000 0.073) 3.307 14.271 ( 4.832 0.000 -1.757) 5.142 14.282 ( 3.111 0.000 0.642) 3.177 14.468 ( 13.416 0.000 -11.752) 17.836 15.065 ( -0.613 0.000 2.140) 2.226 15.139 ( 1.681 0.000 -4.041) 4.376 15.508 ( 1.386 0.000 1.918) 2.366 15.542 ( -0.726 0.000 -5.654) 5.700 15.775 ( -9.987 0.000 5.746) 11.522 15.935 ( -12.332 0.000 -2.308) 12.546 16.035 ( -10.247 0.000 3.306) 10.768 16.101 ( -2.424 0.000 6.735) 7.158 16.241 ( 4.844 0.000 -2.068) 5.266 16.348 ( -3.567 0.000 -1.286) 3.792 16.415 ( -4.449 0.000 0.254) 4.457 16.723 ( -4.783 0.000 0.647) 4.826 16.895 ( 1.538 0.000 0.096) 1.541 16.991 ( 2.992 0.000 -5.831) 6.554 17.041 ( 0.031 0.000 1.253) 1.254 17.100 ( -1.579 0.000 3.086) 3.467 17.360 ( 5.202 0.000 -4.908) 7.152 17.382 ( 0.675 0.000 -2.161) 2.264 17.556 ( -5.786 0.000 3.030) 6.531 17.755 ( 0.374 0.000 2.340) 2.369 17.993 ( 6.665 0.000 -4.052) 7.800 18.163 ( 4.827 0.000 -1.608) 5.088 18.350 ( 4.258 0.000 1.880) 4.655 18.383 ( 10.035 0.000 -3.000) 10.473 18.695 ( -8.448 0.000 4.461) 9.553 18.895 ( -3.356 0.000 -1.499) 3.675 19.107 ( 0.458 0.000 3.989) 4.015 19.160 ( -1.386 0.000 -2.593) 2.941 20.837 ( -0.195 0.000 0.224) 0.297 20.851 ( 0.435 0.000 -0.038) 0.437 21.030 ( -0.632 0.000 1.227) 1.381 21.120 ( 3.459 0.000 -1.887) 3.940 21.398 ( -0.423 0.000 1.776) 1.826 21.444 ( 0.941 0.000 -0.945) 1.333 21.591 ( -0.968 0.000 1.099) 1.464 21.613 ( -0.996 0.000 -0.919) 1.355 26.770 ( -1.682 0.000 1.514) 2.264 26.833 ( 0.468 0.000 -1.379) 1.456 26.928 ( 0.808 0.000 0.837) 1.163 26.933 ( 0.301 0.000 -1.142) 1.181 27.639 ( -0.255 0.000 -0.006) 0.255 27.648 ( 0.129 0.000 -0.196) 0.234 27.746 ( 0.320 0.000 0.435) 0.540 27.764 ( 1.514 0.000 0.029) 1.515 35.638 ( -2.718 0.000 1.931) 3.334 35.792 ( 3.021 0.000 -1.998) 3.622 36.169 ( -3.626 0.000 -0.145) 3.628 36.212 ( -0.556 0.000 -0.010) 0.556 37.203 ( -3.514 0.000 6.543) 7.427 37.384 ( -1.672 0.000 3.369) 3.761 37.415 ( -1.129 0.000 -7.602) 7.685 37.476 ( -7.570 0.000 -5.549) 9.386 37.584 ( -22.071 0.000 6.284) 22.948 37.647 ( 5.707 0.000 -7.089) 9.101 38.206 ( 10.221 0.000 6.355) 12.035 38.295 ( -11.735 0.000 8.871) 14.711 38.580 ( 31.576 0.000 -13.282) 34.256 39.292 ( 17.119 0.000 10.648) 20.161 39.578 ( -13.193 0.000 -9.776) 16.420 40.267 ( 23.758 0.000 0.279) 23.759 ======================= Grid point 119 (53/100) ======================= q-point: ( 0.33 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( 5.059 0.000 10.315) 11.489 1.604 ( 11.791 0.000 -10.140) 15.552 1.669 ( 10.485 0.000 4.209) 11.298 1.701 ( 0.225 0.000 -7.954) 7.957 2.072 ( -3.094 0.000 -4.931) 5.821 2.079 ( -15.327 0.000 -3.399) 15.699 2.527 ( 5.880 0.000 -0.785) 5.932 2.692 ( 8.276 0.000 -11.642) 14.284 2.802 ( -8.331 0.000 3.896) 9.197 3.026 ( -1.357 0.000 -5.590) 5.752 3.034 ( -0.476 0.000 11.220) 11.230 3.145 ( 1.706 0.000 -3.474) 3.870 3.633 ( -3.074 0.000 0.145) 3.077 3.984 ( 5.056 0.000 3.419) 6.103 4.025 ( 2.132 0.000 21.530) 21.635 4.095 ( -13.513 0.000 0.665) 13.530 4.114 ( -7.479 0.000 -5.114) 9.061 4.403 ( -12.045 0.000 -0.815) 12.072 4.451 ( 6.608 0.000 -13.084) 14.658 4.455 ( -7.403 0.000 10.229) 12.627 4.590 ( -11.253 0.000 0.045) 11.253 4.800 ( 5.254 0.000 -8.681) 10.147 5.188 ( -15.984 0.000 -8.139) 17.937 5.224 ( -7.096 0.000 -16.335) 17.809 5.378 ( -4.589 0.000 -3.156) 5.569 5.476 ( 4.443 0.000 5.231) 6.863 5.532 ( 17.742 0.000 7.615) 19.307 5.633 ( 7.200 0.000 -10.233) 12.512 5.823 ( 1.284 0.000 -0.699) 1.462 6.003 ( -6.163 0.000 4.694) 7.747 6.074 ( -7.365 0.000 1.661) 7.550 6.212 ( 0.871 0.000 4.953) 5.029 6.290 ( 3.750 0.000 -0.154) 3.753 6.355 ( 8.807 0.000 6.704) 11.068 6.644 ( -5.928 0.000 11.029) 12.521 6.773 ( -2.128 0.000 15.814) 15.957 6.835 ( 6.077 0.000 10.156) 11.835 6.927 ( 9.843 0.000 -2.607) 10.183 6.947 ( 1.247 0.000 -8.271) 8.365 7.018 ( 0.406 0.000 -4.728) 4.746 7.311 ( 10.629 0.000 4.160) 11.414 7.461 ( 4.477 0.000 10.863) 11.750 7.462 ( 0.671 0.000 1.638) 1.770 7.601 ( -8.408 0.000 0.089) 8.409 7.773 ( 6.084 0.000 -12.960) 14.317 7.808 ( -0.609 0.000 -2.582) 2.653 7.922 ( 3.371 0.000 -6.815) 7.603 7.970 ( 7.408 0.000 -1.740) 7.609 8.038 ( -3.598 0.000 -3.660) 5.132 8.249 ( -0.808 0.000 0.744) 1.098 8.273 ( 12.791 0.000 9.964) 16.214 8.378 ( -7.053 0.000 0.771) 7.095 8.497 ( 1.171 0.000 0.738) 1.384 8.502 ( -7.452 0.000 2.095) 7.740 8.605 ( -5.330 0.000 -4.849) 7.206 8.827 ( 1.674 0.000 -1.024) 1.963 8.928 ( 3.177 0.000 -3.351) 4.618 8.944 ( 5.879 0.000 -5.946) 8.361 9.310 ( 8.475 0.000 7.723) 11.466 9.358 ( -9.356 0.000 3.717) 10.067 9.397 ( -2.857 0.000 -3.706) 4.679 9.792 ( 2.250 0.000 1.452) 2.678 9.885 ( -6.084 0.000 3.649) 7.094 10.083 ( -7.862 0.000 -1.396) 7.985 10.224 ( -5.619 0.000 2.351) 6.091 10.257 ( -0.446 0.000 -4.630) 4.651 10.690 ( -0.977 0.000 -2.236) 2.440 10.846 ( -5.156 0.000 1.690) 5.426 11.456 ( 6.875 0.000 7.283) 10.015 11.561 ( -2.239 0.000 4.017) 4.599 11.611 ( 2.310 0.000 1.830) 2.947 11.735 ( 3.978 0.000 11.745) 12.401 12.462 ( 1.167 0.000 2.906) 3.132 12.479 ( 2.008 0.000 1.481) 2.495 12.616 ( -1.377 0.000 3.170) 3.456 12.731 ( -4.674 0.000 2.399) 5.253 12.851 ( 5.377 0.000 -4.939) 7.301 12.988 ( -2.261 0.000 -8.772) 9.058 13.156 ( 1.582 0.000 -5.257) 5.490 13.402 ( -9.245 0.000 -3.401) 9.851 14.010 ( 0.328 0.000 -0.864) 0.924 14.321 ( 5.290 0.000 -7.972) 9.567 14.355 ( 1.463 0.000 4.176) 4.425 14.595 ( 10.931 0.000 -8.371) 13.768 15.055 ( -2.361 0.000 1.607) 2.857 15.153 ( 3.793 0.000 -2.863) 4.752 15.487 ( 0.311 0.000 -1.910) 1.935 15.524 ( -1.712 0.000 -0.298) 1.738 15.619 ( -10.506 0.000 -6.547) 12.379 15.627 ( -10.706 0.000 5.901) 12.225 15.977 ( -2.487 0.000 2.865) 3.794 16.088 ( -4.567 0.000 3.990) 6.064 16.312 ( -0.406 0.000 2.701) 2.731 16.325 ( 0.929 0.000 -0.375) 1.002 16.376 ( 4.571 0.000 -0.309) 4.582 16.593 ( -9.661 0.000 4.716) 10.751 16.940 ( 2.302 0.000 0.770) 2.428 16.949 ( -0.743 0.000 -2.857) 2.952 17.096 ( -1.606 0.000 0.064) 1.607 17.100 ( 2.896 0.000 5.065) 5.834 17.363 ( 0.128 0.000 -3.741) 3.744 17.459 ( 9.787 0.000 -6.474) 11.734 17.471 ( -6.356 0.000 2.972) 7.017 17.737 ( -2.078 0.000 -2.547) 3.287 18.124 ( 9.033 0.000 -1.919) 9.235 18.225 ( 1.720 0.000 1.819) 2.504 18.433 ( 1.254 0.000 3.559) 3.774 18.568 ( 11.626 0.000 -2.878) 11.977 18.590 ( -5.947 0.000 2.962) 6.644 18.782 ( -6.673 0.000 -1.968) 6.957 19.100 ( -1.767 0.000 -3.090) 3.559 19.115 ( -1.810 0.000 0.444) 1.864 20.837 ( -0.066 0.000 0.306) 0.313 20.857 ( 0.267 0.000 -0.273) 0.382 21.043 ( -0.143 0.000 2.563) 2.567 21.163 ( 3.168 0.000 -2.342) 3.939 21.409 ( -0.401 0.000 2.072) 2.110 21.458 ( 1.370 0.000 -0.875) 1.625 21.572 ( -1.744 0.000 0.387) 1.786 21.585 ( -0.939 0.000 -1.155) 1.489 26.750 ( -1.897 0.000 1.566) 2.459 26.826 ( 0.475 0.000 -1.823) 1.884 26.934 ( 0.855 0.000 -1.000) 1.316 26.943 ( 0.100 0.000 0.269) 0.287 27.639 ( 0.023 0.000 0.361) 0.361 27.652 ( 0.280 0.000 0.075) 0.290 27.757 ( 0.147 0.000 0.672) 0.688 27.792 ( 1.357 0.000 -0.408) 1.416 35.607 ( -2.175 0.000 1.648) 2.728 35.802 ( 1.001 0.000 -4.297) 4.412 36.093 ( -3.949 0.000 -0.520) 3.983 36.160 ( -2.025 0.000 -3.951) 4.440 37.174 ( -6.826 0.000 7.322) 10.011 37.332 ( 2.410 0.000 -5.716) 6.203 37.343 ( -11.703 0.000 7.398) 13.845 37.387 ( 1.131 0.000 -5.063) 5.188 37.401 ( -0.376 0.000 3.775) 3.794 37.688 ( 5.678 0.000 -8.073) 9.870 38.200 ( -6.777 0.000 7.142) 9.846 38.426 ( 8.366 0.000 1.102) 8.439 38.935 ( 20.902 0.000 -13.164) 24.702 39.117 ( -19.496 0.000 -2.188) 19.618 39.866 ( 16.823 0.000 18.832) 25.252 40.655 ( 18.465 0.000 -2.651) 18.655 ======================= Grid point 120 (54/100) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -15.847 0.000 0.955) 15.876 1.586 ( -18.550 0.000 -3.718) 18.919 1.796 ( 9.302 0.000 -2.520) 9.637 1.798 ( 3.798 0.000 2.567) 4.584 1.896 ( 5.258 0.000 -4.250) 6.761 2.009 ( 4.952 0.000 -9.297) 10.534 2.634 ( -6.010 0.000 3.013) 6.723 2.637 ( 5.571 0.000 1.786) 5.850 2.719 ( -22.411 0.000 -0.931) 22.430 2.816 ( 7.224 0.000 -6.303) 9.587 3.157 ( 3.750 0.000 -0.476) 3.781 3.193 ( 5.281 0.000 -1.448) 5.476 3.700 ( 6.250 0.000 10.079) 11.860 3.928 ( -3.751 0.000 -0.992) 3.880 3.959 ( -5.422 0.000 -6.420) 8.403 4.020 ( -1.063 0.000 -0.973) 1.441 4.248 ( -3.261 0.000 9.335) 9.888 4.306 ( 4.968 0.000 0.102) 4.969 4.390 ( -5.396 0.000 8.748) 10.279 4.483 ( 6.215 0.000 -6.872) 9.266 4.514 ( -1.320 0.000 3.583) 3.818 4.798 ( -11.456 0.000 -3.649) 12.023 4.822 ( 4.466 0.000 -5.828) 7.342 4.977 ( -3.777 0.000 -11.078) 11.704 5.266 ( -6.954 0.000 7.976) 10.582 5.615 ( 4.268 0.000 -0.107) 4.269 5.672 ( 4.616 0.000 -1.046) 4.733 5.744 ( -9.738 0.000 0.188) 9.739 5.891 ( -1.906 0.000 -4.578) 4.959 5.907 ( -4.073 0.000 -4.282) 5.910 5.915 ( 10.651 0.000 4.373) 11.514 6.211 ( -1.834 0.000 -6.579) 6.830 6.446 ( 2.682 0.000 11.608) 11.914 6.535 ( 3.245 0.000 8.336) 8.945 6.652 ( -1.596 0.000 4.337) 4.621 6.729 ( -8.035 0.000 -12.854) 15.159 6.868 ( -2.513 0.000 10.961) 11.246 6.979 ( -2.131 0.000 -3.940) 4.479 6.991 ( 0.200 0.000 -3.868) 3.873 7.059 ( 4.372 0.000 16.204) 16.783 7.406 ( -13.459 0.000 3.285) 13.855 7.415 ( -0.254 0.000 3.856) 3.864 7.605 ( -1.386 0.000 5.220) 5.401 7.684 ( 6.090 0.000 -13.133) 14.476 7.702 ( 13.421 0.000 8.872) 16.089 7.719 ( -5.784 0.000 -5.363) 7.888 7.847 ( -0.816 0.000 -8.021) 8.062 7.950 ( -5.401 0.000 -4.898) 7.291 8.046 ( 4.982 0.000 -2.975) 5.803 8.151 ( -6.832 0.000 -2.694) 7.344 8.276 ( 1.402 0.000 1.914) 2.372 8.430 ( -1.619 0.000 -0.937) 1.870 8.501 ( 7.411 0.000 5.132) 9.015 8.530 ( 0.981 0.000 -0.635) 1.169 8.853 ( 1.075 0.000 0.838) 1.363 8.887 ( 17.996 0.000 8.180) 19.768 8.980 ( 1.322 0.000 -4.576) 4.763 9.139 ( 14.788 0.000 3.886) 15.290 9.195 ( -7.648 0.000 1.326) 7.762 9.263 ( -6.922 0.000 -4.263) 8.129 9.522 ( 5.780 0.000 4.386) 7.256 9.746 ( -3.409 0.000 -7.296) 8.053 9.844 ( -0.682 0.000 5.761) 5.801 9.932 ( -4.197 0.000 -0.499) 4.226 10.136 ( -5.025 0.000 1.413) 5.220 10.266 ( 4.561 0.000 -3.536) 5.771 10.706 ( 3.033 0.000 0.990) 3.190 10.755 ( -4.414 0.000 -0.859) 4.497 11.558 ( -1.620 0.000 3.642) 3.986 11.646 ( 1.079 0.000 -0.391) 1.148 11.734 ( 10.494 0.000 16.304) 19.390 11.869 ( -4.553 0.000 11.324) 12.205 12.518 ( 0.340 0.000 4.057) 4.071 12.552 ( 3.228 0.000 3.095) 4.472 12.622 ( -0.602 0.000 2.669) 2.736 12.668 ( -3.455 0.000 1.212) 3.661 12.875 ( 0.438 0.000 -6.496) 6.511 12.881 ( 0.233 0.000 -9.656) 9.659 13.090 ( -9.061 0.000 -11.112) 14.338 13.102 ( -0.704 0.000 -7.351) 7.384 14.049 ( 1.766 0.000 2.593) 3.137 14.303 ( 1.930 0.000 -10.376) 10.554 14.389 ( -3.539 0.000 6.472) 7.376 14.691 ( 6.279 0.000 -7.734) 9.962 15.019 ( -3.204 0.000 3.178) 4.513 15.239 ( 7.654 0.000 -2.919) 8.192 15.408 ( -7.464 0.000 -0.043) 7.464 15.422 ( -4.126 0.000 -3.178) 5.208 15.553 ( -2.137 0.000 0.868) 2.307 15.563 ( 6.808 0.000 -0.647) 6.839 15.985 ( 0.461 0.000 2.610) 2.651 16.042 ( -2.504 0.000 1.926) 3.159 16.319 ( 0.316 0.000 0.501) 0.592 16.344 ( 0.585 0.000 1.182) 1.319 16.495 ( -5.447 0.000 3.657) 6.561 16.519 ( 8.054 0.000 0.295) 8.060 16.922 ( -0.766 0.000 0.630) 0.992 16.984 ( 1.517 0.000 0.920) 1.774 17.063 ( -1.893 0.000 1.006) 2.143 17.230 ( 2.992 0.000 6.769) 7.400 17.310 ( -0.871 0.000 -3.875) 3.972 17.387 ( -4.886 0.000 2.441) 5.462 17.558 ( 6.697 0.000 -5.539) 8.691 17.641 ( -2.628 0.000 -7.691) 8.127 18.242 ( -2.491 0.000 1.698) 3.015 18.250 ( 4.837 0.000 -0.786) 4.901 18.460 ( -5.090 0.000 8.149) 9.607 18.563 ( 2.791 0.000 -0.079) 2.792 18.618 ( -7.889 0.000 -1.263) 7.990 18.742 ( 9.527 0.000 -3.625) 10.193 19.049 ( -0.405 0.000 -2.526) 2.558 19.062 ( -3.121 0.000 -0.892) 3.246 20.840 ( -0.040 0.000 0.397) 0.399 20.855 ( -0.106 0.000 -0.384) 0.398 21.067 ( -0.373 0.000 3.050) 3.073 21.189 ( 2.288 0.000 -3.046) 3.810 21.422 ( -0.564 0.000 2.284) 2.352 21.474 ( 0.946 0.000 -0.783) 1.228 21.543 ( -1.219 0.000 0.044) 1.220 21.558 ( -0.535 0.000 -1.056) 1.184 26.738 ( -0.995 0.000 1.781) 2.040 26.818 ( 0.796 0.000 -2.093) 2.240 26.935 ( -0.968 0.000 -0.129) 0.977 26.944 ( 0.897 0.000 -0.578) 1.068 27.646 ( 0.305 0.000 0.431) 0.528 27.658 ( 0.328 0.000 -0.130) 0.353 27.762 ( -0.526 0.000 1.065) 1.188 27.800 ( -0.010 0.000 -0.728) 0.728 35.596 ( -1.024 0.000 2.500) 2.702 35.756 ( -0.152 0.000 -5.291) 5.293 36.017 ( -3.672 0.000 -0.162) 3.675 36.096 ( -0.306 0.000 -3.922) 3.934 37.101 ( -8.648 0.000 8.358) 12.027 37.246 ( -6.175 0.000 5.178) 8.059 37.384 ( 6.139 0.000 -4.346) 7.522 37.402 ( 5.481 0.000 -2.822) 6.165 37.431 ( -0.822 0.000 4.256) 4.335 37.689 ( 3.484 0.000 -9.683) 10.290 38.175 ( -3.432 0.000 7.298) 8.065 38.528 ( 5.782 0.000 -6.725) 8.869 38.772 ( -18.376 0.000 4.850) 19.005 39.146 ( 14.605 0.000 -10.299) 17.871 40.260 ( 3.777 0.000 20.399) 20.745 40.891 ( 12.109 0.000 -8.983) 15.077 ======================= Grid point 121 (55/100) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -22.346 0.000 8.972) 24.080 1.177 ( -22.977 0.000 10.279) 25.172 1.799 ( -1.920 0.000 -2.373) 3.052 1.852 ( -6.887 0.000 -3.725) 7.830 1.955 ( -1.990 0.000 5.932) 6.256 2.120 ( 12.915 0.000 -5.102) 13.886 2.281 ( -16.528 0.000 2.301) 16.687 2.571 ( -4.882 0.000 3.873) 6.232 2.777 ( 5.620 0.000 3.531) 6.638 2.903 ( 7.954 0.000 -5.100) 9.449 3.206 ( 4.025 0.000 -3.760) 5.508 3.278 ( 5.273 0.000 -2.985) 6.059 3.774 ( -5.957 0.000 -5.229) 7.926 3.884 ( 3.338 0.000 1.317) 3.588 4.038 ( 9.193 0.000 8.345) 12.416 4.092 ( 10.941 0.000 -2.024) 11.126 4.240 ( -9.055 0.000 -6.828) 11.340 4.276 ( 6.094 0.000 8.918) 10.801 4.450 ( 6.026 0.000 -1.056) 6.118 4.508 ( -3.297 0.000 12.727) 13.147 4.548 ( 4.714 0.000 1.101) 4.841 4.766 ( 0.168 0.000 -2.527) 2.533 4.814 ( -2.813 0.000 -7.384) 7.901 4.924 ( 9.015 0.000 0.607) 9.035 5.383 ( 2.550 0.000 22.270) 22.416 5.509 ( -8.439 0.000 -8.107) 11.703 5.520 ( -13.505 0.000 2.365) 13.711 5.733 ( -2.423 0.000 0.173) 2.429 5.811 ( 1.870 0.000 -5.421) 5.734 5.905 ( 5.887 0.000 0.231) 5.892 5.990 ( -10.041 0.000 -7.538) 12.555 6.153 ( 7.047 0.000 4.092) 8.149 6.531 ( -5.898 0.000 8.119) 10.035 6.588 ( 3.090 0.000 -6.468) 7.168 6.679 ( 2.883 0.000 0.877) 3.013 6.685 ( 3.577 0.000 7.775) 8.559 6.834 ( -9.454 0.000 7.316) 11.955 6.882 ( -5.853 0.000 -3.762) 6.957 6.916 ( -3.253 0.000 2.617) 4.175 7.053 ( -20.791 0.000 6.636) 21.824 7.283 ( -14.104 0.000 -2.804) 14.380 7.312 ( -0.922 0.000 9.014) 9.061 7.560 ( -1.255 0.000 -3.126) 3.369 7.620 ( 0.339 0.000 -6.041) 6.050 7.685 ( -1.503 0.000 -5.221) 5.433 7.776 ( -1.853 0.000 -8.854) 9.046 7.830 ( 1.341 0.000 1.267) 1.845 7.952 ( 5.160 0.000 1.527) 5.382 8.135 ( 5.999 0.000 -1.719) 6.240 8.226 ( 14.617 0.000 9.422) 17.390 8.338 ( 1.792 0.000 2.964) 3.464 8.380 ( -1.769 0.000 -2.457) 3.027 8.567 ( 4.100 0.000 1.418) 4.339 8.684 ( 8.518 0.000 -2.729) 8.945 8.812 ( -6.936 0.000 -4.860) 8.469 8.863 ( -7.651 0.000 -2.109) 7.936 9.020 ( -5.992 0.000 -11.258) 12.753 9.027 ( 0.256 0.000 -3.993) 4.001 9.259 ( 5.503 0.000 -1.598) 5.730 9.451 ( 9.300 0.000 0.702) 9.326 9.614 ( -0.214 0.000 -6.517) 6.521 9.641 ( 4.135 0.000 6.283) 7.521 9.927 ( 4.436 0.000 -1.387) 4.647 9.949 ( -0.177 0.000 7.592) 7.594 10.144 ( 7.820 0.000 2.341) 8.163 10.341 ( 6.023 0.000 -2.893) 6.681 10.670 ( -3.217 0.000 -2.527) 4.091 10.815 ( 5.884 0.000 4.006) 7.118 11.561 ( -1.650 0.000 3.203) 3.603 11.633 ( -2.518 0.000 -1.693) 3.034 11.768 ( -8.611 0.000 -0.704) 8.640 12.130 ( 11.506 0.000 11.485) 16.257 12.522 ( -3.346 0.000 3.862) 5.110 12.606 ( -1.695 0.000 -3.597) 3.977 12.661 ( 2.315 0.000 6.697) 7.086 12.663 ( 2.245 0.000 4.215) 4.775 12.750 ( -1.328 0.000 -5.592) 5.747 12.859 ( 5.744 0.000 -2.484) 6.258 12.995 ( -0.594 0.000 0.307) 0.668 13.000 ( -1.494 0.000 -4.331) 4.581 14.090 ( -0.586 0.000 3.208) 3.262 14.194 ( -2.762 0.000 -9.361) 9.760 14.361 ( -5.298 0.000 5.433) 7.588 14.615 ( -5.437 0.000 -11.919) 13.101 15.025 ( -1.036 0.000 5.259) 5.360 15.260 ( 1.259 0.000 -9.021) 9.108 15.330 ( -0.655 0.000 2.860) 2.934 15.451 ( 4.886 0.000 3.735) 6.150 15.541 ( 1.751 0.000 -1.993) 2.653 15.720 ( 9.532 0.000 0.419) 9.541 16.041 ( 2.516 0.000 2.992) 3.909 16.053 ( 2.629 0.000 0.573) 2.691 16.341 ( -3.587 0.000 0.581) 3.633 16.341 ( 0.916 0.000 0.538) 1.062 16.423 ( -0.607 0.000 -4.239) 4.282 16.642 ( 3.046 0.000 2.110) 3.705 16.928 ( -1.274 0.000 2.894) 3.162 17.021 ( 2.022 0.000 -0.311) 2.046 17.071 ( -0.573 0.000 6.658) 6.682 17.170 ( -5.828 0.000 -1.869) 6.121 17.338 ( -0.103 0.000 -2.329) 2.332 17.420 ( 4.419 0.000 8.445) 9.532 17.493 ( -3.165 0.000 -10.176) 10.657 17.616 ( 5.281 0.000 -5.583) 7.685 18.162 ( -5.251 0.000 -1.778) 5.544 18.253 ( -4.377 0.000 -0.377) 4.393 18.409 ( -6.738 0.000 5.528) 8.716 18.490 ( -3.575 0.000 -1.739) 3.975 18.674 ( 5.892 0.000 3.399) 6.803 18.857 ( 6.511 0.000 -4.117) 7.703 18.998 ( -3.661 0.000 1.294) 3.883 19.050 ( 1.946 0.000 0.126) 1.950 20.842 ( -0.134 0.000 0.413) 0.434 20.848 ( -0.284 0.000 -0.254) 0.381 21.081 ( -1.052 0.000 2.260) 2.493 21.185 ( 1.019 0.000 -4.496) 4.610 21.422 ( -1.546 0.000 1.261) 1.995 21.468 ( -0.511 0.000 -0.970) 1.096 21.541 ( 0.604 0.000 0.669) 0.901 21.560 ( 1.170 0.000 0.846) 1.444 26.748 ( 0.087 0.000 1.900) 1.902 26.818 ( 1.215 0.000 -1.842) 2.206 26.911 ( -1.309 0.000 0.032) 1.309 26.952 ( 0.433 0.000 -0.308) 0.531 27.655 ( 0.247 0.000 0.121) 0.275 27.660 ( 0.263 0.000 -0.583) 0.640 27.758 ( -1.090 0.000 1.229) 1.643 27.780 ( -1.238 0.000 -0.574) 1.365 35.617 ( -0.176 0.000 3.915) 3.919 35.715 ( 0.886 0.000 -4.102) 4.197 35.971 ( -1.973 0.000 3.534) 4.047 36.077 ( 0.932 0.000 -0.970) 1.345 37.030 ( -7.052 0.000 9.131) 11.537 37.198 ( -4.049 0.000 4.594) 6.123 37.444 ( -2.492 0.000 4.484) 5.130 37.452 ( 5.700 0.000 -3.746) 6.820 37.508 ( 6.556 0.000 -2.884) 7.162 37.646 ( 3.415 0.000 -9.980) 10.548 38.201 ( -2.018 0.000 7.467) 7.735 38.503 ( -17.594 0.000 10.038) 20.256 38.556 ( 6.124 0.000 -10.686) 12.317 39.306 ( 12.350 0.000 -7.370) 14.382 40.390 ( -6.450 0.000 12.317) 13.903 40.851 ( -2.324 0.000 -27.294) 27.393 ======================= Grid point 122 (56/100) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -15.555 0.000 20.441) 25.686 1.031 ( -12.871 0.000 25.748) 28.786 1.607 ( -19.454 0.000 21.774) 29.199 1.750 ( 1.143 0.000 -5.091) 5.218 1.785 ( -14.090 0.000 7.859) 16.133 2.287 ( 5.034 0.000 -1.370) 5.217 2.313 ( 9.977 0.000 -5.081) 11.196 2.536 ( 0.792 0.000 0.027) 0.793 2.881 ( 0.934 0.000 4.643) 4.736 3.000 ( 6.011 0.000 -2.879) 6.665 3.223 ( 2.355 0.000 -6.439) 6.856 3.301 ( 1.644 0.000 -6.374) 6.583 3.680 ( -0.058 0.000 -1.940) 1.941 3.945 ( -4.957 0.000 -1.197) 5.100 4.087 ( 1.016 0.000 4.517) 4.630 4.140 ( 0.950 0.000 2.376) 2.559 4.405 ( 20.432 0.000 4.905) 21.012 4.456 ( 2.065 0.000 -7.779) 8.048 4.501 ( 1.499 0.000 1.586) 2.182 4.669 ( 2.570 0.000 0.463) 2.611 4.696 ( -1.160 0.000 -0.938) 1.492 4.752 ( 3.604 0.000 3.849) 5.273 4.788 ( 15.098 0.000 14.079) 20.644 5.225 ( 14.738 0.000 9.549) 17.561 5.266 ( -16.953 0.000 2.674) 17.162 5.287 ( -8.739 0.000 -4.944) 10.041 5.534 ( -13.502 0.000 -8.009) 15.699 5.546 ( 2.698 0.000 1.053) 2.897 5.739 ( -3.028 0.000 1.334) 3.309 5.931 ( 1.941 0.000 13.791) 13.926 6.147 ( 7.838 0.000 6.394) 10.116 6.271 ( 3.494 0.000 3.729) 5.110 6.425 ( -6.624 0.000 -1.420) 6.775 6.532 ( 2.029 0.000 -19.956) 20.059 6.669 ( -5.522 0.000 0.617) 5.556 6.681 ( -16.674 0.000 -5.154) 17.452 6.686 ( -16.423 0.000 6.081) 17.513 6.744 ( -9.829 0.000 0.868) 9.867 6.835 ( -3.842 0.000 8.582) 9.403 6.898 ( 4.273 0.000 11.855) 12.602 7.106 ( -2.921 0.000 9.551) 9.988 7.224 ( -10.562 0.000 1.408) 10.655 7.525 ( -6.083 0.000 -2.389) 6.536 7.546 ( 1.577 0.000 -8.771) 8.912 7.562 ( -5.192 0.000 5.577) 7.620 7.816 ( -2.487 0.000 -3.129) 3.997 7.849 ( 12.951 0.000 -4.782) 13.805 7.946 ( -6.355 0.000 -2.075) 6.685 8.290 ( 1.046 0.000 -6.588) 6.671 8.312 ( 8.141 0.000 -0.439) 8.153 8.347 ( -2.374 0.000 1.874) 3.025 8.484 ( -6.392 0.000 -12.815) 14.321 8.673 ( 14.143 0.000 4.791) 14.932 8.736 ( -1.958 0.000 -1.751) 2.626 8.741 ( 10.892 0.000 2.189) 11.110 8.763 ( 0.923 0.000 -0.474) 1.038 8.889 ( 2.168 0.000 -7.514) 7.820 9.006 ( 6.825 0.000 -10.136) 12.219 9.227 ( -5.116 0.000 -2.206) 5.571 9.423 ( -1.717 0.000 -6.491) 6.714 9.651 ( 0.374 0.000 -1.925) 1.961 9.774 ( 2.541 0.000 2.963) 3.903 9.950 ( -5.107 0.000 7.288) 8.899 10.048 ( 8.910 0.000 -2.783) 9.334 10.367 ( 7.604 0.000 -3.473) 8.359 10.404 ( 3.573 0.000 -3.000) 4.666 10.608 ( 0.792 0.000 3.335) 3.428 10.985 ( 8.234 0.000 1.702) 8.408 11.497 ( -5.293 0.000 -4.226) 6.773 11.556 ( -1.739 0.000 2.211) 2.813 11.680 ( -0.699 0.000 -2.009) 2.127 12.001 ( -18.692 0.000 -21.056) 28.156 12.477 ( -3.927 0.000 1.643) 4.257 12.534 ( -1.728 0.000 -3.230) 3.663 12.723 ( 1.210 0.000 -2.502) 2.779 12.735 ( -2.208 0.000 -6.879) 7.225 12.789 ( 2.960 0.000 8.262) 8.777 12.885 ( 7.602 0.000 -0.185) 7.604 13.002 ( -0.254 0.000 3.976) 3.984 13.436 ( 26.468 0.000 20.534) 33.499 14.046 ( -4.057 0.000 -6.189) 7.401 14.099 ( -1.676 0.000 3.794) 4.148 14.301 ( -4.402 0.000 1.484) 4.645 14.308 ( -13.541 0.000 -2.965) 13.861 15.039 ( -0.878 0.000 1.727) 1.937 15.201 ( 0.539 0.000 -6.091) 6.115 15.423 ( 3.103 0.000 1.425) 3.415 15.552 ( 2.871 0.000 1.220) 3.119 15.676 ( 14.001 0.000 8.815) 16.545 15.892 ( 7.983 0.000 -0.889) 8.032 16.082 ( -2.570 0.000 -4.817) 5.460 16.132 ( 3.101 0.000 3.922) 5.000 16.280 ( 5.515 0.000 1.805) 5.803 16.343 ( -1.118 0.000 -0.229) 1.141 16.434 ( 2.801 0.000 -1.595) 3.223 16.654 ( -5.464 0.000 4.433) 7.036 16.918 ( -0.803 0.000 -0.050) 0.804 16.983 ( -3.799 0.000 -4.328) 5.759 17.098 ( -1.901 0.000 1.669) 2.530 17.156 ( 0.596 0.000 8.763) 8.784 17.341 ( -1.292 0.000 -10.966) 11.042 17.344 ( 3.106 0.000 -2.229) 3.823 17.568 ( 3.159 0.000 5.873) 6.669 17.670 ( 4.991 0.000 -2.833) 5.738 18.054 ( -1.580 0.000 -4.404) 4.679 18.122 ( -8.121 0.000 0.249) 8.124 18.330 ( -4.879 0.000 1.704) 5.168 18.410 ( -4.606 0.000 -2.280) 5.139 18.800 ( 2.451 0.000 3.406) 4.196 18.909 ( 4.474 0.000 -5.170) 6.837 18.966 ( -2.723 0.000 6.175) 6.748 19.122 ( 3.740 0.000 2.489) 4.493 20.842 ( -0.097 0.000 -0.027) 0.101 20.842 ( -0.250 0.000 0.331) 0.414 21.070 ( -1.718 0.000 1.000) 1.988 21.133 ( -1.554 0.000 -4.650) 4.903 21.399 ( -1.730 0.000 1.306) 2.167 21.450 ( -0.325 0.000 -0.836) 0.897 21.565 ( 0.766 0.000 1.167) 1.395 21.611 ( 2.623 0.000 0.652) 2.703 26.769 ( -0.005 0.000 1.686) 1.686 26.826 ( 1.231 0.000 -1.357) 1.832 26.896 ( -0.521 0.000 0.622) 0.811 26.952 ( -0.077 0.000 -0.446) 0.453 27.655 ( -0.131 0.000 -0.323) 0.348 27.657 ( 0.120 0.000 -0.787) 0.796 27.747 ( -1.035 0.000 0.909) 1.378 27.753 ( -1.081 0.000 -0.021) 1.082 35.653 ( -0.799 0.000 4.378) 4.450 35.713 ( 2.214 0.000 -2.501) 3.340 36.067 ( 6.398 0.000 8.104) 10.326 36.112 ( 2.010 0.000 2.093) 2.902 37.108 ( 8.515 0.000 13.436) 15.906 37.185 ( -2.074 0.000 5.766) 6.127 37.427 ( -3.581 0.000 4.173) 5.499 37.507 ( 4.978 0.000 -7.200) 8.753 37.534 ( 2.108 0.000 -4.494) 4.964 37.702 ( 8.256 0.000 -2.827) 8.727 38.215 ( -3.709 0.000 4.857) 6.111 38.231 ( -19.614 0.000 6.780) 20.752 38.640 ( 12.410 0.000 -7.961) 14.744 39.497 ( 14.261 0.000 -2.828) 14.539 40.051 ( -50.003 0.000 -39.879) 63.958 40.274 ( -13.068 0.000 2.360) 13.279 ======================= Grid point 123 (57/100) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 1.093 10.787 20.479) 23.172 1.237 ( -5.516 12.732 20.555) 24.799 1.681 ( 0.696 5.733 -6.983) 9.061 1.769 ( 1.930 4.936 0.954) 5.385 1.962 ( 1.920 12.306 24.190) 27.208 2.290 ( -3.163 2.425 -1.376) 4.216 2.414 ( 4.717 1.228 -5.419) 7.289 2.582 ( 5.190 -1.427 -1.806) 5.677 2.885 ( -5.596 -0.865 7.945) 9.757 3.032 ( 0.957 -2.323 -2.958) 3.882 3.120 ( 1.171 -3.267 -4.877) 5.986 3.207 ( 1.700 -3.538 -6.879) 7.921 3.632 ( 0.571 -4.864 5.817) 7.604 3.875 ( -4.070 3.019 -5.217) 7.273 4.072 ( -11.311 6.962 8.229) 15.625 4.307 ( 2.364 -0.391 12.741) 12.964 4.480 ( 1.185 -0.652 -1.142) 1.770 4.507 ( -2.558 1.701 1.074) 3.254 4.581 ( 6.732 -1.363 -10.626) 12.653 4.674 ( -7.636 -1.002 9.256) 12.041 4.918 ( 5.917 -0.082 5.396) 8.008 4.958 ( 2.212 -2.744 -0.863) 3.629 4.962 ( 1.950 1.808 -4.663) 5.368 5.079 ( 7.989 5.561 8.311) 12.799 5.105 ( -3.770 3.334 1.286) 5.195 5.321 ( 1.825 -6.082 4.227) 7.628 5.494 ( 3.158 -2.590 3.149) 5.157 5.645 ( -2.896 0.742 4.712) 5.580 5.680 ( 3.476 -2.920 3.119) 5.508 6.000 ( 0.415 -5.014 0.609) 5.068 6.157 ( -4.275 -8.592 1.186) 9.670 6.190 ( -2.769 -8.652 -5.702) 10.725 6.315 ( -3.702 -1.616 4.919) 6.365 6.365 ( -4.486 4.216 0.001) 6.156 6.442 ( -3.686 0.651 -0.790) 3.826 6.559 ( -1.406 5.179 -3.845) 6.602 6.703 ( -1.908 4.599 -1.069) 5.093 6.712 ( -0.595 12.593 -5.640) 13.811 6.925 ( -5.048 -0.905 4.587) 6.881 6.936 ( 0.810 3.356 5.981) 6.906 7.140 ( 1.595 -1.913 8.708) 9.057 7.288 ( 2.727 2.374 7.620) 8.434 7.402 ( -8.864 4.544 5.485) 11.371 7.558 ( 4.569 2.227 2.926) 5.865 7.617 ( 2.632 -1.085 0.735) 2.940 7.645 ( -0.598 0.467 -7.164) 7.204 7.857 ( 0.685 -0.800 -3.973) 4.111 8.003 ( 2.801 1.343 -9.813) 10.293 8.161 ( -0.618 2.968 0.534) 3.078 8.251 ( -6.027 -1.497 -0.877) 6.272 8.416 ( 0.808 -0.975 -2.012) 2.378 8.419 ( 3.545 -1.747 -2.803) 4.846 8.589 ( -2.206 -6.885 -3.617) 8.084 8.710 ( -2.027 1.642 -2.290) 3.471 8.780 ( 4.422 0.077 -5.839) 7.325 8.799 ( 3.257 -7.164 -4.303) 8.969 9.089 ( -1.009 0.248 -2.295) 2.519 9.144 ( 1.565 5.068 0.146) 5.306 9.224 ( 4.470 7.623 -0.889) 8.881 9.422 ( 4.702 0.229 -2.457) 5.310 9.497 ( -1.584 -0.756 -5.178) 5.467 9.697 ( -5.738 -0.296 -9.814) 11.372 9.883 ( -2.777 -4.742 5.659) 7.888 10.106 ( 2.306 -3.389 -5.020) 6.481 10.304 ( -1.508 -3.291 0.373) 3.639 10.390 ( 1.385 -2.981 -2.538) 4.153 10.861 ( 3.749 6.273 7.315) 10.339 11.100 ( -4.647 0.713 -3.684) 5.973 11.310 ( -3.888 -1.509 1.293) 4.367 11.437 ( -9.457 0.692 -5.271) 10.849 11.592 ( -1.908 0.856 1.849) 2.791 11.650 ( -0.236 -0.635 -1.056) 1.255 12.410 ( -1.616 -1.727 2.047) 3.128 12.466 ( -0.752 -1.453 -2.359) 2.871 12.622 ( -2.949 -0.906 -1.846) 3.595 12.694 ( 2.688 -3.185 -3.836) 5.664 12.842 ( -2.344 -2.484 5.999) 6.903 13.018 ( 7.627 -1.657 -1.996) 8.057 13.110 ( 5.927 -2.069 9.059) 11.021 13.384 ( -9.551 -7.140 -2.994) 12.295 14.122 ( 1.681 1.961 3.910) 4.685 14.254 ( 0.935 2.917 -2.571) 3.999 14.267 ( -1.084 6.151 2.038) 6.570 14.365 ( 11.052 6.771 -3.501) 13.426 15.044 ( -0.748 -0.318 2.327) 2.465 15.146 ( 1.430 -1.641 -3.406) 4.043 15.469 ( -0.192 0.186 0.031) 0.269 15.586 ( 1.680 0.087 -2.522) 3.032 15.811 ( -6.357 -7.099 5.978) 11.249 15.845 ( 9.740 -11.092 6.671) 16.199 16.025 ( -2.013 -1.397 -0.831) 2.587 16.157 ( -1.651 -6.949 -3.496) 7.952 16.248 ( -2.390 2.202 6.028) 6.848 16.424 ( -1.710 0.681 -2.714) 3.279 16.546 ( -7.990 0.260 2.333) 8.328 16.594 ( 8.115 -1.220 1.008) 8.268 16.897 ( -0.547 -2.001 0.687) 2.185 16.971 ( 3.638 4.353 -2.058) 6.035 17.026 ( -2.736 0.176 -0.141) 2.745 17.117 ( -1.455 -3.345 -4.563) 5.842 17.386 ( 3.128 4.770 0.294) 5.712 17.451 ( 1.674 4.450 -2.713) 5.473 17.601 ( -2.921 -1.054 5.384) 6.215 17.720 ( 0.215 0.352 2.096) 2.136 18.005 ( -3.956 1.477 -2.665) 4.994 18.065 ( 8.503 -0.642 -4.704) 9.739 18.282 ( -2.497 -2.101 -1.221) 3.485 18.306 ( 2.185 0.509 -2.064) 3.049 18.813 ( -4.890 1.792 3.873) 6.490 18.937 ( 0.904 0.519 -1.453) 1.789 19.043 ( 0.686 1.133 5.519) 5.676 19.162 ( 1.629 -1.792 -0.348) 2.447 20.876 ( 0.036 3.424 0.919) 3.545 20.915 ( -0.238 4.927 -0.718) 4.984 21.104 ( 1.202 1.638 -1.047) 2.286 21.147 ( -1.303 8.818 -5.668) 10.564 21.390 ( -0.723 -0.152 1.517) 1.687 21.434 ( 0.294 -0.777 -0.688) 1.079 21.585 ( 0.277 -0.183 0.886) 0.946 21.626 ( 0.047 -0.929 -1.409) 1.688 26.785 ( -0.764 0.734 1.633) 1.946 26.841 ( 0.916 0.634 -1.138) 1.593 26.898 ( 0.288 -0.537 1.083) 1.243 26.941 ( 0.102 -0.256 -1.012) 1.049 27.647 ( -0.177 0.063 -0.251) 0.313 27.656 ( -0.010 0.404 -0.637) 0.754 27.736 ( -0.497 -0.502 0.435) 0.829 27.741 ( 0.394 -0.308 0.190) 0.535 35.676 ( -2.388 1.509 3.547) 4.534 35.772 ( 3.437 2.522 -1.700) 4.590 36.162 ( 0.303 -2.126 3.152) 3.814 36.187 ( 2.599 -1.350 1.826) 3.452 37.175 ( -1.748 -1.463 6.114) 6.525 37.413 ( -3.400 1.319 2.023) 4.171 37.490 ( 2.039 0.716 -7.228) 7.544 37.549 ( 10.022 -5.915 3.169) 12.061 37.645 ( 25.500 -5.858 2.288) 26.264 37.772 ( -10.508 0.050 -1.467) 10.610 37.887 ( -9.296 -7.414 2.685) 12.190 38.001 ( -4.770 -6.858 -1.135) 8.430 38.567 ( -16.256 -3.192 16.476) 23.365 39.157 ( -0.550 9.111 -17.341) 19.597 39.785 ( 19.102 -3.170 1.436) 19.416 39.962 ( -15.413 -1.251 -6.339) 16.712 ======================= Grid point 124 (58/100) ======================= q-point: ( 0.17 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 5.391 6.223 14.853) 16.982 1.410 ( 8.056 6.130 10.648) 14.692 1.664 ( 5.195 8.345 -5.118) 11.082 1.823 ( 5.806 6.901 -7.483) 11.719 2.177 ( -1.929 0.544 3.071) 3.667 2.230 ( -2.820 3.820 5.097) 6.966 2.456 ( 5.250 0.642 -4.094) 6.688 2.657 ( 6.682 1.933 -5.073) 8.610 2.862 ( -4.599 -0.653 10.876) 11.826 2.948 ( -6.150 -0.922 -0.708) 6.258 3.086 ( -0.089 -2.165 -3.903) 4.464 3.197 ( 3.172 0.781 -6.594) 7.359 3.689 ( -3.818 -3.196 2.429) 5.540 3.799 ( 3.193 -0.055 3.370) 4.642 4.005 ( -4.932 7.746 10.466) 13.923 4.284 ( -10.675 -3.190 0.092) 11.142 4.350 ( -13.476 -2.893 6.818) 15.377 4.465 ( -8.672 1.841 -0.779) 8.899 4.558 ( 3.594 2.306 -10.785) 11.600 4.639 ( -2.420 4.806 4.260) 6.863 4.816 ( -11.737 -0.852 -3.589) 12.303 4.899 ( -4.213 3.554 1.570) 5.732 5.089 ( 15.100 -1.969 0.206) 15.229 5.271 ( 8.078 -2.583 9.094) 12.435 5.332 ( 1.446 -0.253 -0.549) 1.567 5.379 ( 6.702 -1.474 -7.538) 10.194 5.462 ( 2.931 0.578 -2.385) 3.823 5.642 ( 0.788 -1.048 -5.120) 5.285 5.849 ( -6.080 -4.497 2.401) 7.935 5.966 ( -0.781 -5.294 2.605) 5.952 6.026 ( 1.176 -3.802 1.941) 4.428 6.185 ( 0.502 -4.998 0.305) 5.033 6.266 ( -2.470 3.265 3.712) 5.526 6.359 ( 0.159 9.659 1.077) 9.720 6.540 ( 6.644 -6.660 8.974) 13.001 6.568 ( 3.950 -1.962 3.640) 5.718 6.687 ( 7.933 6.682 -3.123) 10.832 6.808 ( 2.542 4.833 7.407) 9.202 6.886 ( -0.162 -2.001 2.521) 3.222 7.037 ( 5.243 6.299 -0.667) 8.223 7.223 ( 2.744 -1.250 7.381) 7.973 7.325 ( -10.656 1.423 1.492) 10.853 7.415 ( 0.373 3.973 8.726) 9.595 7.531 ( 11.674 -5.822 -4.625) 13.841 7.713 ( 0.131 -1.926 3.538) 4.031 7.784 ( 7.401 2.974 -1.176) 8.063 7.853 ( 4.036 0.102 -3.488) 5.336 7.995 ( 5.897 4.395 -5.660) 9.281 8.105 ( -2.228 4.843 -3.858) 6.580 8.190 ( -0.730 3.201 0.680) 3.353 8.336 ( -9.290 -0.641 2.067) 9.539 8.422 ( 1.510 -5.272 -3.017) 6.259 8.514 ( -1.801 -1.364 -2.570) 3.422 8.619 ( -6.616 -2.557 -1.562) 7.263 8.700 ( -0.272 -2.316 -9.164) 9.456 8.841 ( 4.165 -1.060 -3.814) 5.746 8.997 ( -9.418 -0.452 -2.868) 9.855 9.130 ( -8.736 3.572 -5.517) 10.932 9.163 ( 1.745 5.640 8.064) 9.994 9.409 ( -0.021 -3.053 -10.224) 10.670 9.501 ( -1.675 2.202 -1.591) 3.192 9.635 ( 7.454 -0.832 1.720) 7.695 9.890 ( -3.388 -4.772 6.291) 8.592 10.097 ( 1.848 -4.041 -3.882) 5.901 10.258 ( -5.307 -3.433 3.008) 7.000 10.342 ( -4.095 -3.357 -3.556) 6.378 10.847 ( -9.014 2.969 1.447) 9.600 10.974 ( -2.322 7.107 3.518) 8.263 11.328 ( 2.323 1.562 1.434) 3.145 11.426 ( 4.126 -4.103 3.384) 6.732 11.580 ( -1.367 0.164 2.158) 2.560 11.656 ( 1.174 0.703 0.954) 1.669 12.413 ( -0.085 -1.367 1.726) 2.203 12.454 ( 0.977 -0.032 -0.272) 1.015 12.584 ( -0.950 -1.956 0.965) 2.379 12.724 ( 3.174 -2.773 -2.029) 4.678 12.821 ( -3.169 -1.685 1.947) 4.083 13.104 ( 4.876 -2.732 -4.991) 7.493 13.139 ( -7.347 -2.710 -3.750) 8.683 13.356 ( 5.172 -2.705 7.444) 9.460 14.105 ( -3.277 4.855 -0.129) 5.859 14.273 ( 1.606 1.150 -0.926) 2.181 14.320 ( 5.911 2.780 -0.038) 6.532 14.515 ( 10.523 4.593 -9.688) 15.023 15.047 ( -1.638 -1.569 2.514) 3.386 15.141 ( 1.775 -0.232 -3.562) 3.986 15.480 ( -0.054 -2.189 1.572) 2.695 15.550 ( -1.674 -0.574 -5.342) 5.627 15.690 ( -8.520 -5.295 2.930) 10.450 15.935 ( -12.993 -6.078 6.784) 15.868 15.968 ( -2.318 -0.266 -0.003) 2.333 16.124 ( 4.566 -9.818 -3.686) 11.438 16.214 ( -5.879 7.435 6.402) 11.438 16.335 ( -1.889 0.059 -1.393) 2.347 16.444 ( -3.454 2.127 0.139) 4.059 16.676 ( -3.954 -3.822 3.112) 6.319 16.891 ( 0.518 -1.134 1.481) 1.936 16.966 ( -1.168 -4.373 2.105) 4.992 17.040 ( 1.010 2.906 -6.305) 7.015 17.115 ( 4.369 2.317 -0.092) 4.946 17.412 ( -0.668 2.825 -1.778) 3.404 17.428 ( 2.824 4.621 -3.500) 6.448 17.559 ( -5.487 0.257 3.873) 6.721 17.757 ( 0.856 0.317 1.441) 1.705 17.994 ( 6.535 0.003 -4.566) 7.973 18.168 ( 3.970 0.390 -0.483) 4.018 18.324 ( 7.234 -2.760 -1.041) 7.813 18.376 ( 6.357 -0.355 -1.563) 6.556 18.733 ( -6.823 3.203 3.747) 8.418 18.900 ( -3.584 0.477 -1.217) 3.815 19.097 ( 0.112 -0.747 3.398) 3.481 19.157 ( -0.809 -0.315 -1.790) 1.989 20.885 ( -0.250 4.556 1.023) 4.676 20.901 ( -0.222 4.150 -0.823) 4.237 21.062 ( -1.634 2.772 -0.433) 3.247 21.159 ( 3.203 3.917 -1.831) 5.381 21.396 ( -0.361 -0.213 1.607) 1.661 21.439 ( 1.096 -0.547 -0.751) 1.437 21.586 ( -0.957 -0.538 0.592) 1.248 21.603 ( -1.016 -1.048 -0.791) 1.660 26.776 ( -1.748 0.571 1.448) 2.341 26.842 ( 0.522 0.791 -1.374) 1.669 26.916 ( 0.368 -0.946 0.849) 1.324 26.935 ( 0.518 -0.044 -1.153) 1.265 27.642 ( -0.183 0.307 0.061) 0.363 27.652 ( 0.205 0.401 -0.310) 0.547 27.740 ( 0.445 -0.528 0.333) 0.767 27.761 ( 1.444 -0.346 0.077) 1.487 35.652 ( -2.912 1.432 2.172) 3.905 35.819 ( 3.209 2.719 -2.285) 4.787 36.137 ( -3.912 -2.794 0.641) 4.850 36.223 ( 0.230 0.535 -0.515) 0.777 37.196 ( -3.327 -0.646 6.898) 7.686 37.362 ( -1.430 -1.414 -2.646) 3.323 37.450 ( -3.795 1.812 -2.044) 4.676 37.486 ( -5.954 0.924 -5.626) 8.244 37.498 ( -13.350 -5.125 5.819) 15.438 37.703 ( 0.638 3.003 -4.596) 5.527 38.105 ( 7.792 -5.751 4.368) 10.624 38.309 ( 22.787 -12.523 -2.277) 26.101 38.449 ( -1.382 2.377 8.320) 8.763 39.334 ( 19.794 -1.610 0.946) 19.882 39.576 ( -17.079 1.416 -9.023) 19.368 40.187 ( 20.795 -7.643 0.985) 22.177 ======================= Grid point 125 (59/100) ======================= q-point: ( 0.33 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 6.344 0.449 0.080) 6.360 1.663 ( 9.074 2.914 3.485) 10.148 1.755 ( 4.986 7.872 -3.745) 10.043 1.828 ( 1.364 9.042 -0.698) 9.171 2.079 ( -11.306 1.250 -4.804) 12.348 2.100 ( -3.263 1.771 -3.574) 5.153 2.532 ( 4.587 0.133 -0.810) 4.660 2.724 ( 7.508 2.396 -8.088) 11.293 2.760 ( -7.510 -2.589 0.351) 7.951 2.978 ( -3.602 -3.553 4.945) 7.074 3.055 ( 2.448 2.236 -2.528) 4.170 3.187 ( 1.245 2.471 -2.616) 3.808 3.631 ( -0.831 -0.765 0.358) 1.185 3.965 ( 0.325 0.345 9.444) 9.455 4.073 ( -0.631 1.814 8.781) 8.989 4.081 ( -7.335 -1.739 0.413) 7.550 4.132 ( -7.443 3.284 2.716) 8.577 4.316 ( -6.200 -3.555 -0.964) 7.212 4.437 ( -5.917 0.676 -4.958) 7.749 4.584 ( -6.607 5.197 -0.774) 8.442 4.642 ( -1.794 7.157 2.450) 7.775 4.855 ( 2.658 3.737 -9.017) 10.116 5.164 ( -4.810 -2.438 -12.985) 14.060 5.219 ( -13.313 0.227 -7.387) 15.227 5.366 ( -0.967 -1.923 -0.536) 2.218 5.464 ( 3.322 -1.009 2.104) 4.059 5.542 ( 12.988 2.732 3.979) 13.855 5.636 ( 6.613 -1.901 -5.777) 8.985 5.796 ( 4.273 -0.521 -1.605) 4.595 5.968 ( -4.215 -3.597 5.517) 7.819 6.059 ( -9.080 -2.340 0.793) 9.410 6.230 ( 4.472 -2.701 1.062) 5.331 6.309 ( 3.866 5.422 4.039) 7.789 6.441 ( 4.369 8.672 7.035) 11.991 6.612 ( -3.498 -2.999 12.295) 13.130 6.707 ( 1.589 -3.371 4.571) 5.898 6.879 ( 1.828 3.109 10.123) 10.746 6.895 ( 6.255 -2.412 -2.125) 7.032 7.012 ( -1.613 4.204 -2.570) 5.185 7.050 ( 7.451 1.061 -1.841) 7.748 7.245 ( 3.866 -4.805 2.997) 6.857 7.420 ( 5.866 -2.473 5.252) 8.253 7.482 ( 1.688 0.234 4.324) 4.648 7.591 ( -6.442 -0.101 -0.583) 6.469 7.747 ( 1.732 -2.677 0.712) 3.267 7.831 ( 9.720 3.828 -14.429) 17.814 7.865 ( -1.590 -5.576 -3.999) 7.044 7.972 ( -2.698 2.114 -1.567) 3.769 8.140 ( -1.680 5.364 -6.200) 8.368 8.192 ( -0.885 -2.041 2.866) 3.628 8.307 ( 9.542 -0.416 9.637) 13.568 8.396 ( -4.539 1.548 -1.453) 5.011 8.455 ( -1.845 -0.314 -3.808) 4.243 8.492 ( -0.376 -4.074 1.594) 4.391 8.653 ( -4.099 6.370 -0.639) 7.602 8.851 ( 4.396 1.003 -0.530) 4.540 8.921 ( -1.029 0.705 -2.712) 2.985 8.943 ( 7.171 -0.341 -4.624) 8.540 9.295 ( -1.661 -1.690 4.388) 4.987 9.343 ( -3.487 -1.681 -1.387) 4.112 9.424 ( -1.173 2.683 2.326) 3.740 9.736 ( 1.783 -4.852 0.078) 5.170 9.869 ( -5.315 -2.653 6.545) 8.838 10.059 ( -5.578 -2.561 -2.799) 6.746 10.155 ( -3.976 -4.832 0.035) 6.257 10.229 ( -3.791 -2.914 -2.148) 5.241 10.762 ( -0.652 6.115 -1.003) 6.231 10.926 ( -4.630 6.593 0.697) 8.087 11.430 ( 6.185 -2.372 4.288) 7.891 11.527 ( -0.420 -3.008 5.547) 6.324 11.606 ( 1.663 -0.700 3.396) 3.846 11.733 ( 2.175 -0.427 8.464) 8.750 12.446 ( 1.530 -1.473 2.520) 3.295 12.491 ( 2.254 1.053 1.170) 2.749 12.591 ( -0.558 -1.764 2.746) 3.311 12.723 ( -4.055 -0.868 2.259) 4.722 12.816 ( 3.924 -3.139 -3.612) 6.188 12.988 ( -2.414 -0.357 -7.539) 7.924 13.121 ( 1.879 -3.125 -5.659) 6.732 13.373 ( -7.051 -2.871 -4.229) 8.709 14.060 ( -0.007 4.766 -0.786) 4.831 14.285 ( 1.284 -0.131 -2.390) 2.716 14.442 ( 6.047 4.173 -0.629) 7.374 14.588 ( 7.366 0.275 -8.103) 10.954 15.029 ( -2.756 -2.167 2.534) 4.326 15.153 ( 3.386 -0.231 -3.092) 4.591 15.450 ( -4.254 -5.047 -0.628) 6.631 15.487 ( 1.137 -0.797 -0.988) 1.705 15.600 ( -1.964 0.730 -1.168) 2.398 15.673 ( -16.583 -0.905 3.394) 16.951 15.937 ( -2.192 -2.113 2.671) 4.050 16.111 ( -1.951 -1.917 -2.049) 3.418 16.262 ( 2.960 -0.317 5.092) 5.898 16.340 ( 0.396 1.437 0.073) 1.492 16.409 ( 1.434 2.429 -0.108) 2.823 16.560 ( -10.163 -3.093 5.116) 11.791 16.945 ( 1.793 -1.729 -0.591) 2.560 16.957 ( -0.931 0.829 1.491) 1.943 17.030 ( 2.233 -1.303 -0.705) 2.680 17.165 ( 1.183 3.375 1.724) 3.970 17.368 ( -1.818 0.569 -1.874) 2.672 17.459 ( -1.078 1.749 -0.014) 2.054 17.529 ( 3.623 3.232 -2.139) 5.305 17.746 ( -1.064 0.825 -3.533) 3.781 18.118 ( 8.914 -0.418 -2.390) 9.239 18.232 ( 1.971 0.338 1.941) 2.787 18.427 ( 2.361 -0.591 2.689) 3.626 18.495 ( 5.968 -3.375 -0.859) 6.909 18.669 ( -0.815 4.024 0.569) 4.145 18.785 ( -6.691 0.317 -1.955) 6.978 19.104 ( -1.543 -0.493 0.207) 1.633 19.111 ( -1.725 0.649 -1.617) 2.451 20.884 ( -0.684 4.432 0.563) 4.520 20.894 ( 0.237 3.457 -0.712) 3.538 21.059 ( 0.131 1.544 2.092) 2.604 21.192 ( 2.187 2.721 -1.878) 3.964 21.407 ( -0.208 -0.177 1.885) 1.905 21.461 ( 1.766 0.226 -0.563) 1.867 21.562 ( -1.767 -0.956 -0.064) 2.009 21.576 ( -1.107 -0.948 -0.796) 1.661 26.755 ( -1.809 0.559 1.537) 2.439 26.835 ( 0.456 0.844 -1.839) 2.074 26.924 ( 0.098 -1.047 0.098) 1.057 26.938 ( 0.602 -0.357 -0.761) 1.033 27.642 ( 0.023 0.360 0.288) 0.461 27.657 ( 0.360 0.475 0.008) 0.596 27.754 ( 0.423 -0.304 0.500) 0.722 27.787 ( 1.167 -0.540 -0.297) 1.320 35.620 ( -2.318 1.330 1.852) 3.252 35.828 ( 1.034 2.612 -4.667) 5.447 36.062 ( -3.877 -2.620 -0.144) 4.682 36.179 ( -1.757 1.307 -4.374) 4.892 37.171 ( -6.685 -0.277 7.394) 9.972 37.318 ( -8.558 -1.933 6.054) 10.660 37.328 ( 0.718 -1.025 -3.055) 3.302 37.358 ( 1.328 -0.518 -4.615) 4.830 37.472 ( 0.096 5.071 1.809) 5.385 37.720 ( 5.291 2.965 -7.582) 9.709 38.184 ( -2.632 -1.302 5.365) 6.116 38.442 ( 3.375 1.390 2.696) 4.538 38.733 ( 15.193 -14.700 -5.243) 21.780 39.192 ( -12.705 1.962 -8.901) 15.636 39.779 ( 15.846 -7.776 16.587) 24.222 40.529 ( 15.523 -12.057 -1.894) 19.746 ======================= Grid point 126 (60/100) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -16.677 2.921 1.831) 17.030 1.618 ( -11.678 3.144 -3.828) 12.685 1.803 ( 3.923 2.848 0.924) 4.935 1.881 ( 3.437 4.800 1.172) 6.019 1.983 ( 5.258 7.337 -4.183) 9.948 2.048 ( 4.663 3.652 -7.831) 9.819 2.600 ( 2.092 -2.195 0.416) 3.061 2.670 ( -3.066 2.128 2.552) 4.521 2.725 ( -9.879 -1.761 -0.933) 10.079 2.829 ( -0.429 4.589 -7.510) 8.812 3.112 ( 3.248 -2.821 1.417) 4.530 3.206 ( 3.051 -0.203 -3.167) 4.402 3.724 ( 6.508 1.074 9.285) 11.390 3.828 ( -8.987 -4.448 0.813) 10.060 4.029 ( 2.372 0.469 -4.607) 5.203 4.032 ( -8.216 1.909 -4.086) 9.372 4.250 ( 2.306 -0.147 7.042) 7.411 4.262 ( 3.022 0.487 3.422) 4.591 4.377 ( -2.451 0.637 4.816) 5.441 4.568 ( 1.730 5.119 4.675) 7.145 4.636 ( 0.520 9.827 -0.830) 9.876 4.812 ( -3.787 1.731 -9.037) 9.950 4.868 ( -3.461 4.429 -6.606) 8.674 4.997 ( -1.895 2.137 -9.704) 10.116 5.291 ( -5.594 2.155 8.502) 10.403 5.551 ( 1.858 -4.186 1.336) 4.771 5.650 ( 1.608 -1.037 -4.389) 4.788 5.761 ( -6.965 -2.863 0.446) 7.544 5.852 ( 2.087 1.427 -0.142) 2.532 5.878 ( -0.410 -2.047 -1.356) 2.490 5.968 ( 3.227 0.779 2.405) 4.099 6.196 ( -3.227 -1.153 -6.388) 7.249 6.463 ( 1.437 2.119 9.912) 10.237 6.580 ( 2.211 3.064 6.394) 7.427 6.694 ( 1.313 3.771 5.566) 6.850 6.717 ( -2.104 -0.587 -5.081) 5.531 6.869 ( -4.439 0.051 4.056) 6.013 6.942 ( -0.211 -2.296 -5.609) 6.065 7.006 ( -5.757 1.851 1.169) 6.159 7.080 ( 3.261 1.014 12.214) 12.683 7.357 ( -4.713 -4.659 6.770) 9.473 7.444 ( -3.435 1.665 0.635) 3.870 7.549 ( -0.941 -4.514 1.808) 4.953 7.653 ( 2.891 -2.942 -0.187) 4.129 7.682 ( 5.643 -3.333 -3.997) 7.676 7.693 ( -1.041 -2.068 -2.988) 3.780 7.848 ( 0.627 0.260 -10.266) 10.288 7.969 ( -3.909 1.834 -6.923) 8.159 8.064 ( 1.850 1.727 2.278) 3.405 8.150 ( -1.511 -0.206 4.133) 4.405 8.283 ( -2.414 3.323 -1.311) 4.311 8.402 ( 0.905 -3.142 -3.985) 5.155 8.534 ( 4.527 3.590 2.879) 6.456 8.589 ( 2.273 3.035 0.791) 3.873 8.762 ( 12.544 -4.309 2.890) 13.575 8.924 ( 1.245 -1.904 1.043) 2.502 8.944 ( 2.665 0.708 -2.078) 3.452 9.164 ( -0.699 -5.570 0.418) 5.629 9.175 ( 10.630 1.753 2.690) 11.105 9.224 ( -6.527 -0.289 -2.762) 7.093 9.546 ( 3.594 1.009 4.487) 5.837 9.737 ( 0.250 -1.799 -4.008) 4.400 9.832 ( -2.672 -1.238 5.535) 6.269 9.922 ( -2.824 -0.703 -0.904) 3.048 10.094 ( -4.671 -3.090 0.252) 5.606 10.196 ( 4.405 -5.554 -3.674) 7.984 10.781 ( 2.328 6.349 1.190) 6.866 10.840 ( -3.678 6.958 -1.417) 7.997 11.536 ( -1.556 -2.254 3.431) 4.390 11.606 ( 3.919 -3.500 1.513) 5.468 11.714 ( 5.122 -2.581 11.808) 13.127 11.827 ( -2.836 -3.509 9.357) 10.388 12.512 ( 1.630 -0.926 3.629) 4.084 12.555 ( 2.728 0.136 1.968) 3.367 12.607 ( -1.149 -0.895 3.741) 4.015 12.665 ( -3.295 -0.140 1.515) 3.630 12.836 ( 1.653 -3.373 -4.802) 6.097 12.877 ( -2.043 -0.721 -8.577) 8.846 13.067 ( -1.735 -1.598 -7.663) 8.018 13.116 ( -5.798 0.584 -10.447) 11.962 14.092 ( 1.797 4.094 2.213) 4.989 14.265 ( -0.804 -1.054 -3.392) 3.641 14.466 ( -2.399 4.773 -0.992) 5.433 14.660 ( 6.747 -2.785 -7.116) 10.193 15.009 ( -2.772 -0.646 4.715) 5.508 15.219 ( 5.996 -2.001 -2.898) 6.953 15.369 ( -5.069 -3.336 0.350) 6.078 15.443 ( -7.151 0.924 -0.483) 7.226 15.554 ( 6.000 -0.783 0.141) 6.052 15.572 ( -0.052 1.895 -1.074) 2.179 15.934 ( -1.673 -3.633 3.930) 5.607 16.074 ( 0.609 1.236 -2.215) 2.609 16.331 ( 0.420 0.393 1.813) 1.902 16.348 ( 0.313 0.793 1.182) 1.457 16.443 ( -5.443 -4.306 4.873) 8.480 16.505 ( 6.504 -0.662 -0.941) 6.605 16.914 ( -1.713 -0.424 0.093) 1.768 16.984 ( 0.818 0.287 -0.712) 1.121 17.067 ( 0.630 0.279 2.500) 2.594 17.242 ( 1.338 1.794 7.520) 7.846 17.312 ( -0.282 -0.048 -3.841) 3.852 17.417 ( -3.826 2.798 2.918) 5.566 17.589 ( 3.702 1.825 -3.320) 5.297 17.655 ( -1.211 1.606 -9.274) 9.489 18.241 ( 4.482 -0.402 -0.624) 4.543 18.245 ( -1.921 -0.240 0.041) 1.937 18.466 ( -4.526 0.668 7.366) 8.672 18.561 ( 4.241 -0.167 0.061) 4.245 18.626 ( -7.485 0.617 -0.651) 7.538 18.743 ( 8.374 -0.090 -4.657) 9.582 19.060 ( -1.323 1.126 -1.046) 2.027 19.068 ( -2.395 0.709 -0.477) 2.543 20.875 ( -0.610 3.402 0.379) 3.477 20.894 ( 0.454 3.619 -0.572) 3.692 21.090 ( 0.075 2.078 2.946) 3.606 21.208 ( 2.186 1.806 -2.896) 4.053 21.427 ( 0.117 0.391 2.287) 2.323 21.482 ( 0.457 0.684 -0.760) 1.120 21.532 ( -0.810 -0.960 -0.027) 1.257 21.548 ( -0.619 -1.032 -1.010) 1.571 26.745 ( -0.902 0.737 1.798) 2.143 26.826 ( 0.743 0.782 -2.142) 2.398 26.920 ( -0.846 -1.272 0.254) 1.549 26.941 ( 0.685 -0.370 -0.859) 1.159 27.649 ( 0.244 0.247 0.416) 0.542 27.663 ( 0.324 0.460 -0.235) 0.610 27.762 ( -0.332 -0.068 0.858) 0.923 27.793 ( -0.068 -0.660 -0.615) 0.905 35.608 ( -1.136 1.291 2.725) 3.222 35.780 ( -0.088 2.323 -5.628) 6.089 35.996 ( -3.289 -1.848 0.570) 3.816 36.106 ( -0.721 0.734 -4.743) 4.854 37.102 ( -8.460 0.088 8.274) 11.834 37.230 ( -6.053 -1.356 4.996) 7.964 37.369 ( 3.945 -1.410 -1.990) 4.638 37.402 ( 8.066 1.034 -4.781) 9.434 37.495 ( -0.574 4.907 3.376) 5.984 37.724 ( 3.332 3.638 -8.988) 10.253 38.183 ( -3.174 0.762 6.940) 7.669 38.497 ( 3.591 -3.044 -5.358) 7.132 38.722 ( -14.946 -4.958 5.433) 16.658 39.095 ( 12.091 -5.191 -10.838) 17.047 40.156 ( 4.910 -9.812 18.417) 21.438 40.708 ( 7.692 -17.024 -7.772) 20.233 ======================= Grid point 127 (61/100) ======================= q-point: (-0.33 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -20.627 5.905 11.391) 24.292 1.338 ( -18.253 10.807 6.982) 22.332 1.831 ( -0.730 3.558 -0.460) 3.661 1.925 ( -4.132 4.355 0.381) 6.015 2.027 ( 2.653 7.359 -0.931) 7.878 2.146 ( 10.021 2.332 -4.674) 11.301 2.334 ( -19.454 6.063 2.837) 20.573 2.604 ( -3.863 2.442 1.575) 4.834 2.753 ( 5.568 -2.446 2.990) 6.776 2.876 ( 7.351 -1.508 -4.904) 8.964 3.178 ( 3.111 -2.640 -2.007) 4.547 3.241 ( 3.968 -3.466 -3.206) 6.167 3.674 ( -7.324 -7.147 -1.280) 10.313 3.897 ( -0.418 -0.288 0.821) 0.965 4.017 ( 11.947 -0.730 9.163) 15.074 4.137 ( 9.850 1.150 0.364) 9.924 4.261 ( -3.220 3.553 -3.227) 5.780 4.285 ( -2.287 2.108 5.320) 6.163 4.428 ( 4.254 -0.664 -0.898) 4.398 4.600 ( 3.247 6.931 1.501) 7.800 4.639 ( -2.162 6.940 4.466) 8.531 4.767 ( 3.579 1.416 2.709) 4.707 4.859 ( -0.897 3.794 -8.039) 8.934 4.951 ( 7.993 2.263 -1.926) 8.527 5.336 ( -5.388 0.009 6.815) 8.688 5.426 ( -11.981 -7.332 2.510) 14.269 5.638 ( 0.239 4.724 7.996) 9.290 5.713 ( 1.319 -1.319 -3.361) 3.844 5.824 ( -1.769 1.924 -1.520) 3.023 5.878 ( -7.653 -3.892 -6.132) 10.551 5.924 ( 0.090 -2.532 3.276) 4.141 6.182 ( 4.770 0.647 -0.683) 4.862 6.523 ( -4.430 1.313 8.010) 9.247 6.604 ( 1.010 2.217 -5.591) 6.099 6.694 ( -7.353 -2.137 1.940) 7.899 6.705 ( 3.270 -0.668 7.151) 7.892 6.767 ( -6.381 1.248 -0.624) 6.532 6.871 ( -2.729 1.183 6.659) 7.294 7.007 ( -1.465 4.820 -2.780) 5.753 7.091 ( -17.601 1.074 4.807) 18.278 7.262 ( -4.136 -2.484 8.429) 9.712 7.335 ( -8.803 3.750 1.229) 9.647 7.525 ( -4.879 -4.281 0.556) 6.515 7.581 ( 3.481 -3.764 -5.917) 7.829 7.674 ( 4.789 -2.582 -9.204) 10.692 7.737 ( -6.891 -1.146 -5.193) 8.705 7.876 ( 4.967 1.237 -0.487) 5.142 7.913 ( 4.189 -1.721 1.284) 4.707 8.141 ( 5.545 2.166 1.322) 6.098 8.242 ( 0.371 -5.370 2.561) 5.961 8.300 ( 5.810 5.215 3.111) 8.404 8.426 ( 6.246 -0.725 -1.159) 6.394 8.547 ( -0.431 -0.840 -0.415) 1.031 8.675 ( 5.240 -0.437 -2.881) 5.996 8.793 ( -2.275 0.671 -8.937) 9.246 8.850 ( -4.186 -1.819 -0.728) 4.622 8.999 ( -6.466 1.999 -3.886) 7.804 9.087 ( 1.707 0.512 -1.074) 2.081 9.179 ( 7.003 -5.074 -4.601) 9.795 9.505 ( 13.479 0.494 0.430) 13.495 9.597 ( 0.105 -0.480 -0.946) 1.066 9.643 ( -2.732 0.436 -1.803) 3.302 9.893 ( 2.550 -1.275 2.081) 3.530 9.954 ( 0.672 -1.988 2.628) 3.363 10.115 ( 9.467 -1.271 3.138) 10.054 10.274 ( 6.305 -5.024 -3.377) 8.740 10.768 ( -2.155 7.483 -2.540) 8.191 10.873 ( 4.941 4.771 3.990) 7.943 11.509 ( -4.363 -4.164 1.182) 6.146 11.631 ( 0.109 -1.047 -0.975) 1.435 11.732 ( -6.715 -3.179 1.223) 7.529 12.016 ( 6.398 -9.515 8.396) 14.212 12.521 ( -4.898 -0.069 2.716) 5.601 12.575 ( -0.536 -3.104 -3.318) 4.575 12.649 ( 2.321 -1.642 2.361) 3.696 12.665 ( 0.713 0.760 5.639) 5.734 12.761 ( 0.728 0.966 -3.109) 3.336 12.880 ( 6.076 1.081 -0.774) 6.220 12.953 ( -2.271 -2.069 -1.265) 3.323 13.019 ( -0.241 0.407 -3.141) 3.176 14.138 ( 0.129 4.634 2.470) 5.253 14.182 ( -3.209 -0.516 -5.352) 6.261 14.384 ( -5.488 1.956 1.180) 5.945 14.624 ( -3.235 1.060 -9.005) 9.627 15.021 ( -1.304 -0.547 4.938) 5.137 15.209 ( -1.350 -4.128 -5.804) 7.249 15.319 ( 0.733 -1.642 2.235) 2.869 15.454 ( 3.371 0.814 3.244) 4.749 15.552 ( 0.782 0.882 -2.908) 3.138 15.726 ( 10.420 -0.005 1.338) 10.505 15.951 ( -0.599 -5.828 4.896) 7.635 16.091 ( 3.858 0.841 -3.608) 5.349 16.307 ( -5.606 -2.877 0.948) 6.372 16.367 ( 1.457 1.166 1.412) 2.341 16.422 ( 1.733 0.893 -0.978) 2.181 16.628 ( 4.601 -1.289 1.420) 4.985 16.892 ( -1.984 -2.146 2.547) 3.877 16.974 ( -0.480 -0.155 -1.410) 1.498 17.122 ( 0.432 2.047 5.339) 5.734 17.226 ( -1.464 3.284 -1.198) 3.790 17.340 ( -1.809 -0.160 -1.469) 2.336 17.427 ( 2.223 0.948 7.978) 8.336 17.503 ( -2.393 1.110 -9.015) 9.393 17.643 ( 4.461 2.141 -4.697) 6.823 18.149 ( -5.872 -1.200 -2.275) 6.410 18.259 ( -3.080 0.600 -0.067) 3.138 18.402 ( -5.801 -0.460 1.926) 6.130 18.506 ( -4.798 0.775 -0.119) 4.862 18.684 ( 5.887 0.748 3.055) 6.674 18.848 ( 7.083 -0.529 -4.586) 8.455 19.016 ( -3.340 1.797 1.808) 4.202 19.057 ( 1.107 0.827 0.788) 1.591 20.870 ( -0.400 2.736 0.463) 2.803 20.901 ( 0.764 4.467 -0.370) 4.547 21.104 ( -0.778 1.878 1.176) 2.348 21.226 ( 3.147 3.436 -3.948) 6.108 21.442 ( -0.874 2.073 0.517) 2.308 21.462 ( -0.969 -0.716 -0.854) 1.477 21.524 ( 0.357 -1.549 0.854) 1.804 21.562 ( 1.834 0.179 0.418) 1.890 26.756 ( 0.075 0.829 1.905) 2.079 26.824 ( 1.102 0.590 -1.891) 2.267 26.901 ( -1.228 -0.866 0.384) 1.551 26.946 ( 0.489 -0.616 -0.540) 0.954 27.656 ( 0.185 0.151 0.143) 0.278 27.663 ( 0.181 0.283 -0.603) 0.690 27.758 ( -1.003 -0.065 0.922) 1.364 27.775 ( -1.172 -0.512 -0.455) 1.357 35.630 ( -0.289 1.318 4.190) 4.402 35.738 ( 1.103 2.238 -4.453) 5.105 35.962 ( -1.871 -0.874 4.059) 4.554 36.075 ( 0.793 -0.320 -1.561) 1.780 37.032 ( -7.058 0.139 8.860) 11.328 37.180 ( -4.137 -1.636 4.266) 6.164 37.429 ( 3.171 -0.370 -0.748) 3.279 37.489 ( 1.925 3.100 -1.023) 3.790 37.546 ( 6.700 2.216 -1.081) 7.140 37.671 ( 1.120 3.473 -9.457) 10.137 38.198 ( -2.693 -0.345 6.391) 6.944 38.459 ( -16.266 -4.290 8.170) 18.701 38.513 ( 2.127 -4.066 -6.472) 7.934 39.252 ( 12.824 -5.616 -6.809) 15.568 40.292 ( -5.719 -9.718 10.194) 15.201 40.600 ( -7.274 -20.947 -20.038) 29.887 ======================= Grid point 128 (62/100) ======================= q-point: (-0.17 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -11.202 11.404 18.336) 24.326 1.182 ( -10.713 12.074 20.864) 26.379 1.754 ( -13.931 12.224 6.119) 19.518 1.821 ( 1.075 6.364 -3.175) 7.193 1.859 ( -16.059 9.422 16.155) 24.651 2.289 ( 6.241 -0.173 -0.764) 6.290 2.328 ( 9.695 1.353 -4.639) 10.832 2.545 ( -1.299 0.802 -1.583) 2.199 2.862 ( 1.638 -1.901 4.419) 5.082 2.974 ( 6.006 -2.350 -1.461) 6.613 3.167 ( 0.386 -5.004 -6.233) 8.002 3.254 ( 0.803 -4.748 -4.978) 6.926 3.596 ( -0.850 -5.706 1.554) 5.974 3.962 ( -1.075 0.680 3.313) 3.549 4.134 ( 1.815 4.196 0.755) 4.634 4.171 ( -1.152 3.677 1.323) 4.074 4.384 ( 6.651 -3.073 2.413) 7.714 4.448 ( 10.975 -0.280 7.551) 13.325 4.539 ( 7.111 1.967 -3.615) 8.216 4.651 ( 4.137 0.076 -0.072) 4.138 4.722 ( -4.273 3.004 -1.562) 5.452 4.773 ( 8.232 1.441 11.542) 14.250 4.848 ( 4.223 3.820 -0.395) 5.708 5.172 ( 1.487 -4.956 0.670) 5.218 5.247 ( -6.075 -0.260 7.081) 9.333 5.276 ( 0.037 2.621 5.733) 6.303 5.460 ( -16.951 -6.053 -9.154) 20.193 5.656 ( -3.390 -0.142 1.042) 3.550 5.677 ( -1.764 1.848 0.982) 2.737 5.995 ( 3.647 0.454 6.690) 7.633 6.082 ( 5.951 -3.285 5.973) 9.049 6.226 ( 2.361 -3.091 1.230) 4.079 6.477 ( -8.477 2.742 5.964) 10.722 6.492 ( -13.732 -5.097 -4.079) 15.205 6.580 ( -2.903 0.052 -1.380) 3.215 6.591 ( -6.245 0.126 -3.637) 7.228 6.779 ( -3.639 1.149 -4.368) 5.800 6.851 ( -6.189 5.692 4.421) 9.500 6.916 ( -0.508 3.940 6.723) 7.809 6.926 ( -4.550 6.032 1.867) 7.783 7.181 ( -8.136 -3.056 0.088) 8.692 7.195 ( -5.277 6.225 7.822) 11.304 7.486 ( -4.976 -5.114 1.294) 7.252 7.525 ( 3.131 -1.784 -4.370) 5.664 7.577 ( -4.656 4.241 0.003) 6.298 7.812 ( 0.912 -5.149 -1.565) 5.458 7.835 ( -0.682 1.242 -2.947) 3.270 7.961 ( 5.618 3.831 -3.661) 7.723 8.246 ( -2.956 -3.336 2.474) 5.098 8.290 ( 7.023 -2.025 -0.718) 7.345 8.334 ( -1.416 -3.087 -2.637) 4.300 8.507 ( -3.267 -0.333 -7.857) 8.515 8.581 ( 3.754 -2.505 1.687) 4.818 8.701 ( 4.331 -4.914 -4.990) 8.234 8.736 ( 6.068 -0.128 -4.099) 7.324 8.805 ( 1.206 -0.212 -5.107) 5.252 8.951 ( 9.165 10.860 1.028) 14.247 9.086 ( 4.909 4.576 -9.493) 11.626 9.218 ( -0.441 -1.185 -2.483) 2.786 9.474 ( -3.383 4.001 -6.661) 8.475 9.591 ( -2.305 -4.183 1.721) 5.076 9.750 ( 5.831 -3.358 -2.111) 7.052 9.901 ( -3.654 -3.092 4.089) 6.296 10.051 ( 7.191 -1.634 -1.111) 7.458 10.316 ( 2.229 -5.515 -1.473) 6.128 10.347 ( 7.701 -1.375 -2.724) 8.284 10.735 ( 1.543 8.647 1.575) 8.924 11.030 ( 7.444 3.119 2.295) 8.391 11.400 ( -5.252 -5.624 -1.757) 7.893 11.613 ( -1.658 1.759 0.757) 2.533 11.658 ( -0.876 -1.987 -2.352) 3.201 11.903 ( -16.089 -8.245 -12.999) 22.267 12.444 ( -4.131 -1.938 1.627) 4.844 12.518 ( -1.348 -1.855 -3.899) 4.523 12.680 ( 1.795 -3.054 -3.202) 4.775 12.742 ( -4.472 0.023 -4.654) 6.454 12.770 ( 2.187 -1.705 7.705) 8.188 12.879 ( 6.237 -0.347 0.137) 6.248 13.000 ( 0.706 -0.396 2.158) 2.305 13.325 ( 14.719 -8.799 17.769) 24.694 14.056 ( -2.503 1.876 -1.723) 3.571 14.180 ( 2.809 6.564 0.829) 7.188 14.301 ( -4.202 2.427 1.032) 4.961 14.415 ( -9.328 7.119 -2.923) 12.093 15.036 ( -0.650 -0.393 2.047) 2.184 15.157 ( 1.025 -3.717 -4.347) 5.810 15.469 ( 7.622 0.740 4.538) 8.902 15.497 ( 2.568 -4.497 0.873) 5.252 15.579 ( 2.997 -2.589 3.059) 5.004 15.867 ( -0.575 -3.293 3.362) 4.740 16.034 ( 3.432 -6.093 0.676) 7.026 16.144 ( 6.635 -1.243 -1.675) 6.955 16.216 ( -3.285 -0.244 0.989) 3.440 16.425 ( 3.221 0.587 1.441) 3.577 16.450 ( 2.633 4.093 -2.408) 5.430 16.660 ( -4.274 0.830 3.969) 5.891 16.892 ( -0.259 -4.072 1.323) 4.289 16.948 ( -0.088 2.301 -1.718) 2.873 17.112 ( -3.547 1.999 0.571) 4.111 17.218 ( -5.034 -2.799 -3.006) 6.497 17.295 ( 4.408 3.527 1.454) 5.830 17.430 ( 2.900 4.406 -6.162) 8.111 17.552 ( 2.201 -1.402 6.369) 6.883 17.686 ( 3.099 1.210 -1.312) 3.576 18.033 ( -1.488 -1.426 -4.075) 4.567 18.147 ( -7.754 2.243 -0.160) 8.074 18.322 ( -2.437 -1.403 -1.650) 3.261 18.404 ( -6.006 -0.947 -1.497) 6.262 18.804 ( 2.527 0.348 3.434) 4.278 18.913 ( 4.260 0.621 -3.950) 5.842 18.994 ( -2.144 2.596 5.484) 6.435 19.109 ( 2.621 -0.837 1.773) 3.273 20.870 ( -0.146 2.675 0.623) 2.750 20.914 ( 0.834 5.225 -0.340) 5.302 21.094 ( 0.127 1.583 -0.940) 1.845 21.226 ( 1.317 7.487 -6.591) 10.061 21.407 ( -2.186 0.929 0.248) 2.388 21.441 ( -0.386 -0.903 -0.660) 1.183 21.560 ( 1.335 -0.377 1.201) 1.835 21.609 ( 2.607 -0.197 -0.194) 2.622 26.776 ( -0.030 0.757 1.689) 1.852 26.831 ( 1.251 0.476 -1.264) 1.841 26.890 ( -0.487 -0.462 0.831) 1.068 26.947 ( 0.166 -0.562 -0.636) 0.865 27.654 ( -0.145 0.019 -0.525) 0.545 27.661 ( 0.084 0.289 -0.468) 0.557 27.744 ( -0.868 -0.283 0.233) 0.942 27.750 ( -1.271 -0.316 0.405) 1.371 35.666 ( -0.907 1.407 4.749) 5.035 35.737 ( 2.496 2.323 -2.912) 4.484 36.050 ( 4.808 -1.705 8.298) 9.740 36.105 ( 2.070 -0.753 1.819) 2.857 37.087 ( 5.499 -1.894 13.476) 14.678 37.161 ( -2.527 -2.021 4.918) 5.887 37.444 ( -2.730 1.816 3.547) 4.830 37.510 ( 4.222 0.344 -7.036) 8.213 37.588 ( 0.730 4.812 -5.122) 7.066 37.701 ( 8.952 -0.137 -2.448) 9.282 38.153 ( -12.457 -6.081 3.048) 14.193 38.189 ( -13.030 -3.525 3.391) 13.918 38.561 ( 3.630 -6.009 1.568) 7.193 39.449 ( 12.697 -5.683 -2.418) 14.119 39.874 ( -33.796 -11.329 -25.149) 43.623 40.251 ( -11.530 -4.191 -1.780) 12.397 ======================= Grid point 129 (63/100) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 0.206 15.522 13.002) 20.250 1.513 ( -3.726 14.585 15.114) 21.332 1.819 ( -0.008 8.303 -6.953) 10.830 1.923 ( 3.752 9.117 -5.040) 11.073 2.223 ( -3.447 10.590 10.381) 15.225 2.332 ( 2.273 2.993 4.564) 5.912 2.414 ( 0.125 -0.831 -4.314) 4.395 2.573 ( 7.041 0.962 -0.238) 7.110 2.863 ( -5.740 -1.752 7.983) 9.987 2.938 ( 1.345 -6.772 -0.801) 6.951 3.053 ( 1.926 -3.805 -3.995) 5.844 3.124 ( 3.808 -4.186 -1.855) 5.955 3.580 ( 1.222 -0.110 6.546) 6.660 3.930 ( -6.121 1.622 -7.532) 9.840 4.167 ( -6.590 2.495 6.509) 9.593 4.317 ( -1.157 0.066 13.354) 13.404 4.420 ( -1.998 -2.907 -0.602) 3.578 4.554 ( 3.075 0.379 -2.041) 3.710 4.581 ( 5.059 3.031 3.953) 7.100 4.654 ( -7.000 -0.151 4.064) 8.096 4.877 ( 6.124 -5.230 -5.233) 9.604 4.896 ( 4.387 -1.513 5.586) 7.262 4.998 ( -1.869 0.893 -7.839) 8.108 5.146 ( 8.164 0.916 1.851) 8.421 5.191 ( 2.261 2.460 7.217) 7.953 5.298 ( 0.558 5.856 3.702) 6.950 5.436 ( -0.177 -2.935 5.642) 6.363 5.632 ( 2.885 -0.137 9.885) 10.298 5.662 ( -4.913 -1.506 -5.687) 7.664 5.866 ( -3.210 -5.289 -0.394) 6.200 5.974 ( 1.837 -9.183 -2.342) 9.653 6.041 ( -6.919 -6.281 -2.985) 9.810 6.262 ( -2.530 -2.878 4.554) 5.951 6.427 ( -4.590 2.059 1.150) 5.161 6.496 ( -5.990 1.621 -1.581) 6.404 6.693 ( -3.079 0.736 -8.198) 8.788 6.731 ( 0.508 4.564 2.922) 5.443 6.849 ( -2.522 5.304 0.218) 5.877 7.051 ( -1.318 8.811 7.006) 11.334 7.096 ( 7.479 12.259 -2.705) 14.613 7.145 ( -1.035 4.807 4.065) 6.380 7.291 ( 1.769 -0.986 2.085) 2.907 7.453 ( 2.531 0.439 4.218) 4.938 7.598 ( -1.035 2.018 4.110) 4.695 7.634 ( -4.223 0.253 -1.022) 4.352 7.702 ( 1.931 6.350 4.307) 7.912 7.807 ( -2.683 -3.194 -5.579) 6.966 8.028 ( 2.890 -0.947 -6.027) 6.751 8.150 ( -1.407 -3.573 2.937) 4.835 8.198 ( 3.219 -3.119 2.798) 5.284 8.331 ( -3.367 -4.203 -0.647) 5.424 8.403 ( 0.279 -3.284 -2.185) 3.954 8.491 ( 0.812 -3.890 -5.126) 6.486 8.667 ( 4.608 -5.288 -4.611) 8.394 8.786 ( 0.741 3.450 2.238) 4.179 8.847 ( -2.426 9.210 -6.196) 11.363 9.106 ( -0.178 1.077 -6.880) 6.966 9.187 ( 4.616 1.099 0.600) 4.783 9.357 ( 4.761 2.758 -4.029) 6.819 9.439 ( -7.510 2.009 -1.637) 7.944 9.526 ( 5.364 4.348 -5.214) 8.653 9.677 ( -0.173 -1.267 -6.574) 6.697 9.783 ( -4.267 -4.797 1.778) 6.662 10.021 ( 2.223 -5.049 -5.733) 7.956 10.205 ( -1.402 -6.758 1.597) 7.084 10.327 ( -0.033 -3.652 -4.051) 5.454 10.942 ( -0.643 1.248 5.781) 5.949 11.048 ( -1.619 -4.545 0.201) 4.829 11.351 ( 1.545 4.204 -0.024) 4.479 11.458 ( -7.667 1.699 -4.050) 8.836 11.587 ( -1.295 -1.246 -0.346) 1.830 11.631 ( -0.173 -1.421 -1.502) 2.075 12.391 ( -1.202 0.022 2.227) 2.531 12.444 ( -1.167 0.117 -0.851) 1.449 12.616 ( 2.407 -4.351 -2.830) 5.721 12.625 ( -2.718 1.196 -3.582) 4.653 12.788 ( -1.596 -2.772 6.139) 6.922 12.987 ( 5.652 -1.456 -3.198) 6.655 13.055 ( 3.314 -3.378 7.169) 8.590 13.233 ( -2.384 -7.789 0.572) 8.165 14.170 ( 2.700 2.911 4.137) 5.734 14.300 ( 0.591 2.005 -2.317) 3.121 14.446 ( -4.224 10.462 0.361) 11.289 14.511 ( 8.795 7.740 -2.477) 11.975 15.031 ( -1.667 -1.197 2.158) 2.978 15.094 ( 2.378 -3.604 -1.237) 4.492 15.438 ( -0.204 -4.059 1.064) 4.201 15.568 ( 2.669 -2.538 -0.991) 3.814 15.618 ( 1.626 -7.030 5.165) 8.873 15.689 ( -5.163 -8.155 3.415) 10.238 15.987 ( -0.318 -1.202 0.542) 1.356 16.079 ( 0.394 -0.063 -3.026) 3.052 16.312 ( -0.098 3.574 4.975) 6.126 16.436 ( -1.166 0.391 -1.795) 2.176 16.527 ( -2.946 -0.904 2.693) 4.092 16.596 ( -3.851 0.302 1.728) 4.232 16.833 ( 1.936 -3.525 -0.188) 4.026 16.942 ( -6.645 -5.193 -3.240) 9.034 17.097 ( 3.454 4.658 -0.121) 5.800 17.138 ( 1.633 3.360 -1.689) 4.100 17.461 ( 2.833 2.302 -0.281) 3.662 17.516 ( 1.261 3.046 -2.742) 4.288 17.587 ( -2.723 -0.228 7.118) 7.624 17.744 ( 1.614 1.712 0.948) 2.537 18.027 ( -1.802 0.155 -4.358) 4.718 18.058 ( 6.130 0.633 -5.065) 7.977 18.235 ( -3.082 -2.358 -0.279) 3.890 18.291 ( 2.981 -1.991 -2.466) 4.351 18.856 ( -3.041 2.347 3.799) 5.403 18.949 ( -0.198 0.592 0.147) 0.641 19.070 ( -0.295 1.427 2.848) 3.199 19.131 ( 1.374 -1.236 0.342) 1.880 20.957 ( 0.524 4.502 1.743) 4.856 21.018 ( -0.958 5.625 -0.479) 5.726 21.147 ( 0.897 2.666 0.588) 2.874 21.289 ( -0.212 4.485 -6.950) 8.274 21.384 ( -0.624 -0.594 0.977) 1.303 21.412 ( 0.153 -1.420 -0.541) 1.527 21.578 ( 0.272 -0.610 -0.396) 0.776 21.600 ( 0.042 -1.627 -2.693) 3.146 26.804 ( -0.836 1.117 1.485) 2.037 26.854 ( 0.810 0.593 -0.830) 1.302 26.888 ( 0.073 -0.464 0.904) 1.019 26.931 ( 0.543 -0.734 -1.035) 1.380 27.650 ( -0.093 0.340 -0.060) 0.358 27.665 ( 0.118 0.463 -0.579) 0.751 27.725 ( -0.486 -0.592 0.301) 0.823 27.734 ( 0.370 -0.403 -0.070) 0.552 35.721 ( -2.750 3.094 4.345) 6.002 35.839 ( 4.021 4.191 -2.048) 6.159 36.094 ( -1.406 -4.488 5.291) 7.079 36.158 ( 4.120 -1.944 1.370) 4.757 37.141 ( -1.073 -1.771 6.870) 7.175 37.312 ( 8.874 -11.014 16.096) 21.428 37.435 ( -3.534 0.601 -4.076) 5.428 37.526 ( 1.938 3.230 -1.782) 4.167 37.620 ( -0.533 -1.700 -3.720) 4.125 37.746 ( -8.433 -1.689 -4.739) 9.820 37.841 ( 2.560 0.841 0.378) 2.721 37.911 ( -1.611 -2.444 -2.672) 3.963 38.559 ( -5.157 1.454 16.133) 17.000 39.180 ( -0.082 -5.191 -13.736) 14.684 39.717 ( 13.202 -3.143 -1.461) 13.650 39.907 ( -10.878 -4.386 -7.320) 13.825 ======================= Grid point 130 (64/100) ======================= q-point: ( 0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -0.343 9.907 11.688) 15.325 1.569 ( 4.050 9.489 5.273) 11.587 1.835 ( 6.590 8.122 -5.372) 11.758 1.990 ( 5.601 9.005 -3.881) 11.293 2.182 ( -4.160 -0.162 0.170) 4.167 2.313 ( -6.178 4.299 0.985) 7.591 2.479 ( 6.194 2.121 -2.542) 7.023 2.708 ( 5.892 2.690 -0.010) 6.478 2.794 ( -5.959 -6.002 1.647) 8.616 2.936 ( -2.386 -1.037 3.421) 4.298 3.049 ( 2.353 -1.027 -1.678) 3.067 3.189 ( 5.236 -1.938 -4.539) 7.195 3.653 ( -4.418 -0.531 2.495) 5.101 3.810 ( 4.809 0.491 2.009) 5.235 4.128 ( -5.701 4.329 7.634) 10.465 4.246 ( -9.278 0.080 1.408) 9.385 4.314 ( -14.632 -0.962 8.114) 16.758 4.512 ( -6.667 2.979 -1.436) 7.443 4.600 ( 3.136 2.041 -10.579) 11.221 4.720 ( -1.863 3.276 10.788) 11.428 4.803 ( -5.466 -0.817 -4.428) 7.082 4.954 ( 4.827 0.596 0.013) 4.863 5.039 ( 7.239 -1.548 -4.818) 8.833 5.228 ( 5.145 -1.789 0.141) 5.449 5.335 ( 2.363 0.682 0.480) 2.506 5.358 ( 1.386 0.065 -1.676) 2.176 5.475 ( 4.495 0.516 -1.505) 4.768 5.637 ( 4.501 -0.012 -1.160) 4.648 5.759 ( -2.838 -6.233 -0.453) 6.864 5.822 ( -1.207 -5.629 3.848) 6.925 5.981 ( 1.863 -1.852 7.006) 7.483 6.038 ( 5.528 -6.790 -0.694) 8.784 6.354 ( 2.534 -3.801 7.888) 9.116 6.375 ( 2.604 2.091 0.743) 3.421 6.499 ( 4.968 -1.128 4.088) 6.532 6.615 ( 0.864 6.394 -1.043) 6.536 6.814 ( 3.221 3.282 -0.488) 4.625 6.834 ( 3.930 1.644 5.039) 6.598 6.961 ( -10.195 9.601 3.927) 14.545 7.158 ( 0.708 3.425 -4.499) 5.699 7.237 ( 4.225 3.148 4.934) 7.218 7.356 ( -6.838 2.383 0.315) 7.248 7.463 ( 5.997 0.097 -4.869) 7.725 7.493 ( -2.065 3.273 5.208) 6.488 7.692 ( 3.165 0.835 5.262) 6.197 7.814 ( 0.454 -2.197 0.144) 2.248 7.835 ( 6.321 -0.083 -0.364) 6.332 8.076 ( 7.259 0.142 -2.587) 7.708 8.146 ( -5.746 0.805 0.589) 5.832 8.206 ( 0.015 -1.611 0.649) 1.737 8.325 ( 5.170 -1.808 0.877) 5.547 8.336 ( -4.933 -2.180 -2.570) 5.974 8.471 ( -0.273 -1.734 0.069) 1.757 8.577 ( -2.646 -2.019 -12.399) 12.838 8.735 ( -3.482 6.436 -2.900) 7.872 8.851 ( 3.064 2.165 0.594) 3.798 9.011 ( -4.712 1.919 -3.378) 6.107 9.187 ( -8.476 3.049 -1.417) 9.118 9.302 ( -4.120 3.898 -0.635) 5.707 9.347 ( 3.678 0.757 -7.874) 8.723 9.528 ( -3.731 -0.044 -0.516) 3.767 9.603 ( 1.351 -2.228 -2.382) 3.530 9.769 ( -2.823 -6.330 6.261) 9.340 10.016 ( 3.107 -4.588 -5.307) 7.672 10.163 ( -6.305 -6.105 4.075) 9.676 10.257 ( -3.687 -5.323 -3.320) 7.277 10.890 ( -4.591 1.233 2.760) 5.497 11.069 ( -0.075 0.874 1.464) 1.707 11.350 ( -0.917 0.432 -0.994) 1.420 11.404 ( 1.951 3.207 2.854) 4.716 11.570 ( -0.819 -0.978 1.043) 1.647 11.647 ( 1.890 -2.009 0.633) 2.830 12.395 ( -0.519 0.014 1.667) 1.746 12.455 ( 1.920 0.527 1.481) 2.482 12.574 ( -0.041 1.103 -1.839) 2.145 12.653 ( 3.375 -3.979 -1.240) 5.363 12.785 ( -3.421 -1.822 3.481) 5.209 13.038 ( 2.848 -4.218 -3.422) 6.133 13.071 ( -3.052 -3.304 -2.886) 5.344 13.283 ( 5.049 -4.841 2.394) 7.393 14.213 ( -1.311 5.376 -0.773) 5.587 14.300 ( 2.277 1.366 -0.392) 2.684 14.408 ( 0.725 6.398 -0.547) 6.463 14.627 ( 6.669 6.117 -5.944) 10.827 15.009 ( -2.661 -2.059 2.479) 4.179 15.119 ( 1.955 -1.973 -1.725) 3.270 15.418 ( -3.354 -4.724 0.863) 5.858 15.500 ( -3.304 -3.243 -3.537) 5.826 15.626 ( -0.961 -2.684 1.993) 3.478 15.720 ( -7.651 -12.747 9.871) 17.846 15.933 ( -0.919 -2.256 -2.561) 3.535 16.051 ( -1.122 1.619 -3.319) 3.859 16.343 ( -3.544 4.044 0.287) 5.385 16.356 ( -0.389 3.114 3.999) 5.083 16.481 ( -2.589 1.432 0.725) 3.046 16.602 ( -4.296 -3.219 5.236) 7.499 16.843 ( -0.119 -3.023 0.871) 3.149 16.874 ( 1.233 -4.378 -0.158) 4.551 17.116 ( -0.073 3.646 -2.450) 4.393 17.178 ( 3.902 3.091 -1.819) 5.300 17.451 ( -2.210 1.309 0.153) 2.573 17.525 ( 0.258 4.439 -1.294) 4.631 17.568 ( -3.006 1.115 3.215) 4.540 17.771 ( 1.197 1.047 -1.097) 1.932 17.993 ( 6.560 0.048 -5.253) 8.404 18.179 ( 1.615 0.619 1.141) 2.072 18.257 ( 10.327 -3.540 -3.374) 11.426 18.362 ( 5.323 -1.246 -1.379) 5.638 18.799 ( -5.521 3.319 2.917) 7.072 18.909 ( -4.184 0.374 -0.426) 4.223 19.089 ( -0.347 0.072 2.385) 2.411 19.149 ( 0.122 -0.539 -0.159) 0.575 20.985 ( -0.057 4.667 1.181) 4.814 20.996 ( -0.078 5.712 -0.166) 5.715 21.123 ( -3.011 3.267 -0.701) 4.498 21.251 ( 1.644 4.641 -2.913) 5.721 21.389 ( -0.179 -0.683 1.123) 1.326 21.422 ( 1.515 -1.181 -0.294) 1.943 21.567 ( -0.777 -1.495 -0.354) 1.722 21.574 ( -1.007 -1.701 -0.738) 2.110 26.792 ( -1.775 1.000 1.296) 2.415 26.857 ( 0.443 0.521 -0.933) 1.157 26.897 ( 0.039 -0.738 0.661) 0.991 26.931 ( 0.639 -0.386 -1.273) 1.475 27.651 ( -0.004 0.554 0.184) 0.584 27.663 ( 0.364 0.636 -0.519) 0.898 27.729 ( 0.578 -0.609 0.247) 0.875 27.751 ( 1.253 -0.690 -0.021) 1.430 35.695 ( -3.338 3.059 2.722) 5.283 35.892 ( 3.640 4.586 -2.819) 6.498 36.067 ( -4.299 -4.225 1.928) 6.329 36.220 ( 1.845 -1.086 -1.273) 2.491 37.183 ( -2.947 -0.521 7.793) 8.348 37.332 ( -3.044 -2.138 -2.115) 4.279 37.372 ( -8.086 -4.596 3.413) 9.907 37.474 ( -7.536 -1.737 -3.770) 8.604 37.547 ( 1.479 4.872 0.627) 5.130 37.743 ( 4.863 1.087 -4.292) 6.577 38.012 ( 13.076 -4.193 2.356) 13.933 38.060 ( 17.178 -7.961 -0.902) 18.954 38.557 ( -8.361 5.869 10.629) 14.743 39.194 ( 9.307 -10.442 -4.998) 14.854 39.611 ( -10.404 0.804 -7.751) 12.999 39.996 ( 14.311 -11.008 1.597) 18.126 ======================= Grid point 131 (65/100) ======================= q-point: ( 0.33 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( 3.343 4.633 1.566) 5.924 1.746 ( 5.849 4.459 5.732) 9.324 1.871 ( -0.045 3.923 -7.094) 8.106 2.021 ( -0.615 10.361 1.879) 10.548 2.092 ( -5.405 -0.665 -0.253) 5.451 2.173 ( -1.871 5.705 -7.656) 9.729 2.527 ( 0.803 -0.394 -0.684) 1.126 2.673 ( -3.700 -4.249 0.516) 5.658 2.817 ( 4.573 4.216 -5.226) 8.124 2.936 ( 0.047 -0.428 3.046) 3.077 3.091 ( 2.370 0.989 -3.832) 4.613 3.212 ( 0.984 -0.172 -3.256) 3.406 3.599 ( 0.723 -1.617 0.740) 1.919 3.976 ( 3.053 -3.044 3.991) 5.875 4.038 ( -13.162 0.244 1.829) 13.291 4.110 ( -5.826 1.683 7.060) 9.307 4.203 ( 0.735 3.688 4.383) 5.775 4.348 ( -7.847 7.401 0.501) 10.798 4.463 ( -4.026 2.035 -5.725) 7.288 4.704 ( -5.423 7.092 3.077) 9.443 4.785 ( 2.902 4.740 -0.090) 5.559 4.920 ( 0.869 4.697 -10.719) 11.735 5.143 ( 1.874 0.736 -9.696) 9.903 5.210 ( -9.856 -1.274 -1.211) 10.012 5.290 ( 5.174 -5.207 -0.879) 7.393 5.445 ( 4.618 -0.536 1.101) 4.777 5.568 ( 2.340 -3.655 -0.663) 4.390 5.668 ( 6.802 8.681 2.150) 11.236 5.803 ( 3.771 -0.123 -4.784) 6.093 5.854 ( 1.774 -8.188 4.945) 9.728 5.990 ( -6.640 -3.180 1.536) 7.521 6.170 ( 7.080 -2.002 1.722) 7.557 6.449 ( 2.382 7.070 4.971) 8.965 6.510 ( 1.316 -3.299 13.146) 13.617 6.626 ( 1.348 -5.279 1.039) 5.547 6.670 ( -0.850 8.604 5.652) 10.329 6.853 ( 0.807 -0.943 1.866) 2.241 6.920 ( 4.921 -3.300 2.089) 6.283 7.017 ( 7.651 0.874 2.940) 8.243 7.098 ( -4.830 4.345 -1.664) 6.707 7.181 ( -0.624 -2.749 0.963) 2.979 7.398 ( 4.504 1.631 5.054) 6.963 7.454 ( -3.529 -2.657 -1.946) 4.827 7.616 ( 5.582 2.608 -1.429) 6.325 7.752 ( -5.520 -0.434 0.533) 5.563 7.775 ( -0.408 0.101 -3.744) 3.767 7.890 ( 5.942 0.581 -2.395) 6.433 7.990 ( -4.864 0.255 -3.477) 5.984 8.112 ( -9.854 -3.681 -6.115) 12.168 8.253 ( -4.856 -0.088 -4.245) 6.450 8.265 ( 10.570 -2.196 5.762) 12.237 8.347 ( 3.100 0.245 0.511) 3.152 8.473 ( 0.250 3.319 -0.597) 3.381 8.560 ( 3.856 4.519 0.693) 5.981 8.752 ( 2.876 2.599 0.466) 3.904 8.869 ( -1.003 2.808 -5.965) 6.669 8.934 ( 6.413 2.192 0.604) 6.804 8.985 ( -3.990 3.143 -0.015) 5.079 9.251 ( -10.603 -2.526 -2.400) 11.161 9.293 ( 1.062 -2.831 -3.502) 4.627 9.489 ( -0.847 3.483 5.437) 6.512 9.614 ( 0.235 -7.485 0.437) 7.501 9.785 ( -2.230 -5.022 6.310) 8.368 9.985 ( -3.459 -4.720 -3.475) 6.806 10.066 ( -4.450 -4.622 2.098) 6.750 10.159 ( -3.776 -4.151 -1.943) 5.938 10.876 ( 0.573 4.664 0.539) 4.729 11.038 ( -2.926 3.537 -0.696) 4.643 11.376 ( 3.501 -2.398 1.862) 4.634 11.484 ( 1.189 -0.445 5.350) 5.499 11.582 ( 0.175 -1.662 3.169) 3.582 11.703 ( 1.513 -2.909 3.549) 4.831 12.419 ( 1.392 -0.768 1.798) 2.400 12.515 ( 2.047 1.445 2.018) 3.217 12.579 ( 0.796 0.747 1.045) 1.511 12.688 ( -0.598 -2.845 0.842) 3.027 12.755 ( -0.228 -2.252 -0.293) 2.282 12.962 ( -3.186 -2.717 -4.239) 5.959 13.059 ( 3.123 -2.362 -6.558) 7.638 13.298 ( -3.243 -4.666 -5.432) 7.861 14.176 ( -0.485 6.542 -0.814) 6.610 14.319 ( -0.132 2.891 -0.771) 2.995 14.474 ( 7.425 0.318 -2.732) 7.918 14.634 ( 0.193 3.025 -5.404) 6.196 14.996 ( -1.607 -0.633 3.511) 3.913 15.138 ( 2.542 -1.366 -2.762) 3.994 15.341 ( -3.224 -5.455 0.037) 6.336 15.475 ( 0.408 -0.958 1.361) 1.714 15.571 ( -13.699 -7.614 8.407) 17.785 15.622 ( -0.104 0.752 -1.283) 1.491 15.896 ( -2.571 -3.126 -0.409) 4.067 16.031 ( 3.897 -2.509 -5.171) 6.944 16.321 ( 0.224 3.367 0.777) 3.463 16.374 ( -1.329 1.602 1.324) 2.467 16.455 ( -1.095 1.362 -0.246) 1.765 16.507 ( -8.544 -0.524 6.327) 10.644 16.881 ( 1.463 -3.321 -0.618) 3.681 16.933 ( 2.187 -2.031 6.776) 7.404 17.086 ( 0.358 4.416 -3.758) 5.810 17.226 ( 2.219 2.278 0.507) 3.221 17.384 ( -4.978 1.189 1.813) 5.430 17.515 ( -1.610 3.415 -0.772) 3.854 17.571 ( 2.540 1.074 0.029) 2.758 17.764 ( 0.716 0.781 -5.471) 5.572 18.116 ( 9.274 0.292 -3.388) 9.878 18.225 ( 2.326 -1.071 1.091) 2.783 18.414 ( 5.979 -0.644 0.951) 6.088 18.450 ( 5.647 -1.431 -0.911) 5.896 18.733 ( -2.852 2.463 0.344) 3.784 18.791 ( -6.899 0.192 -1.741) 7.118 19.098 ( -0.797 0.269 1.411) 1.643 19.131 ( -1.669 1.080 -0.049) 1.989 20.973 ( -0.122 4.442 -1.011) 4.557 20.997 ( -1.405 6.546 0.498) 6.714 21.095 ( 0.372 1.883 1.558) 2.472 21.252 ( 0.551 2.897 -1.677) 3.392 21.400 ( 0.236 -0.715 1.432) 1.618 21.463 ( 2.772 -0.043 0.049) 2.772 21.537 ( -2.094 -1.512 -0.579) 2.647 21.550 ( -1.056 -1.471 -0.152) 1.817 26.772 ( -1.603 1.097 1.462) 2.431 26.853 ( 0.425 0.728 -1.531) 1.747 26.900 ( -0.428 -1.139 0.519) 1.323 26.931 ( 0.672 -0.443 -1.303) 1.532 27.653 ( 0.045 0.684 0.138) 0.699 27.669 ( 0.512 0.681 -0.201) 0.875 27.746 ( 0.813 -0.504 0.262) 0.991 27.771 ( 0.838 -1.008 -0.158) 1.320 35.661 ( -2.666 2.887 2.279) 4.543 35.898 ( 0.965 4.367 -5.464) 7.061 36.000 ( -3.706 -3.587 0.868) 5.230 36.193 ( -0.839 -0.142 -5.405) 5.472 37.166 ( -6.178 -0.071 7.276) 9.545 37.271 ( -7.291 -2.544 7.154) 10.526 37.310 ( 2.643 -0.576 -4.189) 4.986 37.357 ( 1.290 -0.036 -5.744) 5.887 37.594 ( 0.916 7.257 3.081) 7.937 37.791 ( 5.704 4.034 -6.018) 9.221 38.159 ( 3.230 -1.200 2.946) 4.533 38.425 ( 12.896 -10.591 3.386) 17.028 38.495 ( -1.455 -1.161 -0.424) 1.910 39.127 ( -9.660 -8.647 -8.916) 15.734 39.632 ( 10.420 -5.477 10.263) 15.617 40.233 ( 9.536 -16.820 -0.399) 19.339 ======================= Grid point 132 (66/100) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -13.570 7.194 3.632) 15.783 1.699 ( -3.730 4.840 -3.311) 6.950 1.876 ( 1.373 3.871 2.196) 4.658 1.957 ( -2.316 2.965 2.897) 4.748 2.116 ( 5.482 4.190 -3.746) 7.851 2.129 ( 3.757 4.819 -7.081) 9.352 2.551 ( 3.276 -2.186 0.378) 3.956 2.644 ( 1.126 -3.193 -2.766) 4.372 2.776 ( -6.128 5.811 0.742) 8.478 2.951 ( -0.950 5.957 -7.264) 9.442 3.068 ( 1.014 -1.649 2.102) 2.857 3.184 ( -0.183 -1.670 -3.289) 3.693 3.701 ( 3.694 -1.208 6.995) 8.002 3.803 ( -11.362 -0.394 2.262) 11.591 3.991 ( -2.518 -2.299 -1.556) 3.748 4.048 ( -1.255 -1.155 -2.887) 3.353 4.272 ( 1.407 1.932 6.168) 6.615 4.343 ( 3.188 6.345 1.656) 7.292 4.428 ( -0.047 4.717 2.140) 5.180 4.663 ( -2.088 6.154 7.199) 9.699 4.840 ( 6.112 1.007 -12.097) 13.591 4.854 ( -0.848 11.095 -0.923) 11.166 4.979 ( -7.863 6.217 -6.588) 11.995 5.074 ( 1.097 5.698 -6.475) 8.694 5.324 ( -2.103 0.612 6.308) 6.677 5.505 ( 0.448 -0.293 1.180) 1.295 5.610 ( -1.490 -3.934 0.275) 4.215 5.719 ( -4.282 -0.014 -2.451) 4.934 5.784 ( -3.684 -6.959 2.503) 8.262 5.886 ( 2.682 0.652 -2.731) 3.883 5.975 ( 2.803 0.926 4.524) 5.402 6.188 ( -2.624 0.976 -5.204) 5.909 6.515 ( -1.117 2.020 9.512) 9.788 6.605 ( -1.802 -0.457 4.067) 4.471 6.703 ( 3.000 -1.941 1.277) 3.795 6.779 ( 9.007 4.399 6.726) 12.071 6.878 ( -9.860 1.684 3.230) 10.512 6.913 ( 6.675 -0.293 -7.106) 9.754 7.065 ( -7.465 2.365 0.643) 7.857 7.090 ( -2.934 -0.148 7.947) 8.473 7.216 ( -0.521 -7.737 10.208) 12.820 7.436 ( -3.667 -4.483 -0.541) 5.817 7.472 ( 1.552 -1.477 0.259) 2.158 7.566 ( -2.475 -3.994 -4.480) 6.493 7.640 ( -4.038 -0.702 -3.133) 5.159 7.694 ( 2.776 2.217 -3.288) 4.841 7.835 ( -0.939 -2.467 -10.461) 10.789 7.956 ( 1.420 0.760 -6.789) 6.978 8.064 ( 2.905 -4.392 7.189) 8.912 8.230 ( -0.607 5.641 6.081) 8.317 8.341 ( -0.699 -0.961 -3.656) 3.845 8.393 ( -2.157 7.805 -1.024) 8.162 8.555 ( 9.780 -4.952 0.172) 10.963 8.635 ( 2.756 4.707 3.053) 6.250 8.766 ( 5.423 4.396 -3.782) 7.940 8.877 ( -2.339 -2.761 -5.927) 6.945 8.970 ( -2.266 1.490 -0.043) 2.712 9.010 ( 1.404 -7.937 1.536) 8.205 9.207 ( 9.086 0.839 2.338) 9.419 9.243 ( -1.051 1.954 -2.562) 3.389 9.522 ( -1.065 -3.567 4.186) 5.602 9.664 ( 5.209 -5.292 -0.583) 7.448 9.793 ( -2.514 -2.257 5.335) 6.315 9.906 ( -0.618 -1.081 0.050) 1.246 10.044 ( -1.751 -2.476 -0.095) 3.034 10.096 ( 3.047 -4.234 -3.759) 6.429 10.898 ( 0.879 4.690 1.107) 4.898 10.969 ( -2.553 5.264 -2.291) 6.284 11.470 ( 0.497 -4.021 3.973) 5.675 11.545 ( 2.942 -1.967 0.480) 3.571 11.640 ( 0.206 -4.112 7.480) 8.538 11.753 ( 0.199 -4.148 4.184) 5.895 12.478 ( 2.220 -1.940 2.712) 4.006 12.550 ( -0.124 -0.783 0.473) 0.923 12.609 ( -1.351 0.981 4.430) 4.734 12.672 ( -1.077 1.021 2.295) 2.733 12.762 ( 2.026 -3.646 -2.241) 4.735 12.849 ( -3.150 -2.161 -6.679) 7.694 13.041 ( 1.451 -0.789 -5.858) 6.087 13.115 ( -5.365 -0.717 -9.612) 11.032 14.190 ( 1.302 5.545 1.612) 5.919 14.287 ( -2.129 3.064 -1.387) 3.980 14.532 ( -3.261 1.600 -3.487) 5.035 14.605 ( 7.076 -2.402 -5.196) 9.101 15.005 ( -2.599 0.151 4.995) 5.633 15.166 ( 2.711 -3.121 -2.815) 5.002 15.300 ( -3.405 -2.974 3.211) 5.545 15.430 ( -5.888 -2.285 4.403) 7.699 15.534 ( 3.207 -1.169 1.457) 3.711 15.617 ( 2.371 1.963 -2.701) 4.095 15.855 ( -2.420 -4.079 1.769) 5.062 16.055 ( 4.127 -3.156 -6.420) 8.259 16.330 ( -1.773 -0.371 1.337) 2.251 16.349 ( -2.181 -0.041 2.205) 3.102 16.414 ( -0.937 1.705 3.110) 3.668 16.506 ( 3.636 0.378 -1.318) 3.886 16.904 ( -0.488 0.095 3.249) 3.287 17.014 ( -0.355 1.332 2.217) 2.611 17.073 ( 1.953 1.315 0.425) 2.393 17.283 ( 1.945 0.133 2.621) 3.267 17.318 ( -3.244 2.386 0.952) 4.137 17.478 ( -3.056 2.867 2.349) 4.804 17.606 ( 0.659 0.323 -1.442) 1.618 17.691 ( 0.298 1.384 -9.054) 9.164 18.227 ( 2.796 -0.774 -1.387) 3.216 18.240 ( 0.116 -0.460 -1.581) 1.651 18.484 ( -2.675 1.113 5.150) 5.909 18.556 ( 4.870 -0.459 0.430) 4.911 18.639 ( -5.770 0.767 -0.780) 5.872 18.733 ( 5.955 -0.955 -5.370) 8.075 19.085 ( -1.847 1.512 1.300) 2.718 19.098 ( -1.903 2.074 0.692) 2.899 20.958 ( -1.240 4.564 0.201) 4.733 20.983 ( 0.702 5.244 -0.886) 5.365 21.133 ( 0.332 1.913 2.833) 3.434 21.248 ( 1.825 1.920 -2.765) 3.829 21.431 ( 1.413 -0.210 2.078) 2.521 21.484 ( -2.296 -1.138 -0.743) 2.668 21.519 ( 1.632 0.188 -0.060) 1.644 21.525 ( -0.255 -0.911 -0.632) 1.138 26.765 ( -0.683 1.320 1.788) 2.326 26.845 ( 0.659 1.004 -2.076) 2.398 26.893 ( -0.870 -1.351 0.686) 1.747 26.930 ( 0.547 -0.720 -1.179) 1.485 27.656 ( 0.101 0.535 0.312) 0.628 27.674 ( 0.284 0.596 -0.456) 0.803 27.758 ( 0.007 -0.345 0.451) 0.568 27.775 ( -0.135 -1.091 -0.347) 1.152 35.648 ( -1.434 2.731 3.199) 4.444 35.841 ( -0.115 3.648 -6.156) 7.157 35.952 ( -2.826 -2.505 1.652) 4.122 36.113 ( -0.972 -0.254 -6.146) 6.227 37.106 ( -7.956 0.403 7.859) 11.190 37.200 ( -6.183 -1.614 5.139) 8.201 37.355 ( 5.288 -0.133 -3.087) 6.125 37.409 ( 8.782 -0.358 -5.524) 10.381 37.619 ( -2.222 7.752 4.067) 9.031 37.827 ( 4.411 6.492 -7.294) 10.715 38.206 ( -2.371 1.642 5.734) 6.418 38.419 ( -1.756 -4.379 -2.044) 5.141 38.589 ( -7.257 -8.220 5.875) 12.440 38.945 ( 6.455 -10.011 -11.057) 16.253 39.932 ( 6.289 -11.313 13.617) 18.787 40.319 ( 2.073 -20.444 -5.351) 21.234 ======================= Grid point 133 (67/100) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -13.169 13.725 8.806) 20.961 1.556 ( -12.199 11.134 4.317) 17.071 1.916 ( 2.030 4.370 2.135) 5.270 1.991 ( -0.974 2.756 4.241) 5.151 2.147 ( 6.828 2.941 -7.399) 10.489 2.201 ( 7.371 2.591 -4.478) 9.005 2.533 ( -18.538 12.443 3.274) 22.566 2.618 ( 1.125 -0.715 -2.345) 2.697 2.689 ( 3.834 -3.562 1.231) 5.376 2.890 ( 2.184 2.773 -3.594) 5.037 3.116 ( 0.163 -3.281 0.328) 3.302 3.159 ( 0.353 -4.601 -1.908) 4.993 3.572 ( -8.782 -2.299 0.152) 9.079 3.871 ( 1.607 -1.763 4.129) 4.769 4.006 ( 6.767 -0.518 10.691) 12.664 4.125 ( 6.346 -1.930 1.644) 6.834 4.322 ( -1.081 1.210 -1.473) 2.191 4.378 ( -0.643 6.114 2.813) 6.761 4.462 ( 4.994 5.080 -1.818) 7.352 4.724 ( 0.894 4.247 -4.965) 6.595 4.756 ( -4.378 5.317 4.013) 7.972 4.845 ( 1.353 5.891 -1.754) 6.294 4.917 ( 5.368 0.484 1.416) 5.572 5.031 ( -0.610 8.132 -8.541) 11.809 5.319 ( -9.760 -2.450 5.498) 11.467 5.405 ( -5.377 4.572 2.332) 7.433 5.598 ( -4.211 -3.683 1.698) 5.846 5.688 ( -2.040 -1.973 3.198) 4.276 5.754 ( -0.749 -7.565 6.097) 9.745 5.853 ( -5.829 0.932 -5.027) 7.754 5.987 ( 3.131 5.311 2.950) 6.835 6.147 ( 1.380 -3.804 -3.465) 5.327 6.572 ( -8.713 0.491 9.274) 12.734 6.610 ( -1.128 -1.671 0.191) 2.026 6.706 ( -4.093 4.643 0.353) 6.199 6.717 ( 3.129 5.087 -3.182) 6.767 6.831 ( -7.148 2.039 -0.457) 7.447 6.914 ( -1.374 2.247 4.918) 5.579 7.024 ( -14.891 -2.804 6.105) 16.336 7.117 ( 4.304 1.721 -3.896) 6.055 7.189 ( -1.930 -4.359 10.522) 11.552 7.356 ( -9.163 -5.972 2.943) 11.326 7.460 ( 2.660 1.359 0.376) 3.010 7.513 ( -1.751 -1.665 -4.108) 4.766 7.620 ( 3.675 -1.914 -3.403) 5.362 7.699 ( 2.181 -2.867 -4.220) 5.548 7.870 ( 2.832 0.356 -2.991) 4.135 7.928 ( 4.566 1.543 -0.493) 4.845 8.133 ( -0.386 -3.612 1.930) 4.113 8.249 ( 0.055 6.135 1.441) 6.302 8.319 ( 1.468 -2.122 -0.299) 2.598 8.459 ( 3.272 4.228 0.199) 5.350 8.502 ( -3.582 -3.917 -4.419) 6.906 8.665 ( 1.854 -1.089 -3.045) 3.728 8.787 ( -6.898 -4.175 -0.957) 8.120 8.884 ( 6.307 6.302 -4.916) 10.181 8.997 ( 6.340 -5.395 -0.471) 8.338 9.063 ( 3.067 3.310 0.648) 4.558 9.161 ( 3.356 2.109 -4.557) 6.040 9.449 ( 8.665 -4.633 -2.212) 10.071 9.543 ( 2.041 -4.277 0.204) 4.743 9.687 ( 1.351 2.316 -4.109) 4.906 9.851 ( 0.343 -3.803 2.572) 4.604 9.909 ( 1.129 -1.011 -0.043) 1.516 10.104 ( 8.439 -0.875 2.741) 8.916 10.180 ( 7.831 -4.688 -3.738) 9.863 10.898 ( -2.049 5.070 -1.597) 5.697 10.949 ( 1.964 2.125 2.930) 4.118 11.442 ( -4.387 -1.755 -0.141) 4.728 11.583 ( 1.456 -3.452 -1.047) 3.890 11.659 ( -3.728 -3.992 3.447) 6.459 11.837 ( 2.577 -7.732 2.243) 8.453 12.500 ( -3.589 -2.760 -1.303) 4.711 12.526 ( -1.496 -0.730 1.988) 2.593 12.610 ( -0.518 -1.869 1.461) 2.428 12.686 ( -0.131 1.226 2.252) 2.568 12.777 ( 1.754 0.340 -2.603) 3.157 12.855 ( 7.192 -3.113 4.764) 9.171 12.944 ( -4.695 0.791 -5.589) 7.342 13.023 ( 0.548 0.023 -1.599) 1.690 14.196 ( -4.069 2.130 -1.359) 4.789 14.255 ( 1.952 6.782 1.180) 7.155 14.420 ( -4.428 1.417 -1.947) 5.041 14.654 ( 1.846 1.626 -4.988) 5.562 14.997 ( -2.041 -1.950 3.920) 4.831 15.124 ( -3.212 -4.089 -3.269) 6.142 15.290 ( -0.515 -0.715 3.924) 4.022 15.462 ( 2.593 -0.496 4.661) 5.357 15.561 ( 0.252 -0.572 -2.131) 2.221 15.719 ( 9.242 -0.844 0.138) 9.282 15.828 ( -3.325 -5.658 2.888) 7.170 16.067 ( 4.464 -2.987 -6.765) 8.638 16.291 ( -3.291 1.710 2.318) 4.374 16.367 ( 1.327 -0.501 1.759) 2.260 16.460 ( 3.078 2.252 1.119) 3.974 16.600 ( 6.332 -1.514 -0.359) 6.520 16.887 ( -4.632 1.758 2.305) 5.464 17.012 ( 1.148 2.986 -0.476) 3.234 17.142 ( -0.073 0.020 3.882) 3.883 17.256 ( 1.742 -0.574 -4.881) 5.214 17.338 ( -4.862 0.716 5.649) 7.487 17.449 ( -1.856 0.788 4.826) 5.231 17.541 ( -0.349 2.655 -6.339) 6.881 17.677 ( 3.189 1.080 -3.204) 4.648 18.130 ( -5.918 -0.394 -2.855) 6.583 18.259 ( -0.510 -0.955 -1.024) 1.490 18.403 ( -6.544 0.655 -0.950) 6.645 18.500 ( -6.428 -1.278 0.333) 6.562 18.702 ( 5.849 1.235 2.178) 6.362 18.836 ( 8.279 -0.949 -4.097) 9.286 19.062 ( -2.611 2.644 2.794) 4.649 19.084 ( -0.546 1.823 1.548) 2.453 20.940 ( -0.805 4.273 0.484) 4.375 21.000 ( 1.468 5.484 -0.126) 5.679 21.141 ( -1.049 1.703 0.625) 2.096 21.278 ( 3.744 1.303 -2.647) 4.767 21.436 ( -1.819 -1.903 -0.576) 2.694 21.482 ( -1.439 -1.960 -0.327) 2.453 21.498 ( 2.845 2.396 0.628) 3.772 21.569 ( 2.742 0.567 -0.796) 2.911 26.779 ( 0.087 1.421 1.851) 2.335 26.839 ( 0.851 0.939 -1.923) 2.303 26.883 ( -0.851 -0.908 0.890) 1.530 26.930 ( 0.480 -1.047 -0.880) 1.450 27.661 ( 0.052 0.320 0.227) 0.396 27.670 ( -0.041 0.364 -0.665) 0.759 27.754 ( -0.845 -0.377 0.342) 0.987 27.761 ( -0.940 -0.760 -0.204) 1.226 35.669 ( -0.567 2.687 4.842) 5.566 35.797 ( 1.331 3.555 -4.936) 6.227 35.936 ( -1.680 -1.749 4.961) 5.522 36.062 ( 0.562 -1.102 -2.904) 3.157 37.037 ( -6.922 0.441 8.025) 10.606 37.143 ( -4.573 -1.968 4.112) 6.457 37.433 ( 5.723 0.671 -3.070) 6.529 37.537 ( 9.758 -0.048 -6.069) 11.491 37.593 ( -3.429 4.810 3.312) 6.772 37.794 ( -0.563 8.161 -6.963) 10.743 38.181 ( -5.789 -1.668 3.588) 7.012 38.359 ( -13.797 -4.981 6.562) 16.070 38.419 ( -2.296 -4.827 -0.275) 5.352 39.083 ( 12.613 -11.628 -5.078) 17.891 40.044 ( -6.363 -13.600 1.434) 15.084 40.217 ( -3.259 -16.181 -6.776) 17.842 ======================= Grid point 134 (68/100) ======================= q-point: (-0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -4.291 17.454 10.650) 20.892 1.435 ( -7.486 13.304 14.270) 20.897 1.944 ( -0.599 6.396 -2.932) 7.062 1.953 ( -3.295 8.868 -3.571) 10.112 2.196 ( -13.011 18.717 14.270) 26.894 2.263 ( 4.898 -2.082 1.104) 5.436 2.353 ( 7.356 1.026 -2.936) 7.986 2.560 ( -2.633 0.504 -3.413) 4.340 2.803 ( 4.396 -4.260 3.257) 6.934 2.933 ( 2.411 -1.206 0.561) 2.753 3.064 ( -2.658 -4.743 -3.263) 6.341 3.129 ( -1.018 -7.149 -1.849) 7.454 3.523 ( 0.449 -1.288 2.959) 3.259 3.965 ( 2.147 -0.745 5.991) 6.407 4.200 ( -0.333 1.314 2.065) 2.470 4.254 ( 4.268 2.309 1.617) 5.115 4.363 ( 6.262 -2.109 1.179) 6.712 4.387 ( 2.406 2.571 10.328) 10.912 4.561 ( 0.856 -1.236 -4.830) 5.059 4.671 ( 3.033 0.393 2.174) 3.752 4.780 ( 1.993 2.429 -0.181) 3.147 4.855 ( 0.984 2.512 -0.641) 2.773 4.899 ( 0.515 7.048 0.386) 7.078 5.103 ( 3.509 -2.461 7.398) 8.550 5.249 ( -6.340 -2.597 -2.823) 7.410 5.301 ( -3.907 -0.598 1.481) 4.221 5.417 ( -9.311 6.498 3.683) 11.937 5.606 ( -5.901 -0.462 8.243) 10.148 5.755 ( -1.581 1.416 -6.108) 6.466 5.878 ( 2.220 -7.819 5.618) 9.880 6.020 ( -1.760 -6.345 -6.397) 9.180 6.201 ( 2.774 -0.539 4.191) 5.055 6.359 ( -18.395 -4.624 2.423) 19.122 6.524 ( -6.948 -0.204 -0.777) 6.994 6.636 ( -5.458 2.962 -1.348) 6.355 6.698 ( 4.045 7.938 3.410) 9.539 6.819 ( -10.466 -3.648 6.232) 12.715 6.830 ( 0.131 2.428 -1.802) 3.027 6.993 ( 2.941 2.845 2.012) 4.560 7.096 ( 1.562 7.700 -3.555) 8.624 7.150 ( -5.686 2.779 0.265) 6.334 7.273 ( -4.716 1.900 3.432) 6.134 7.425 ( -1.282 -1.691 -2.739) 3.465 7.527 ( 3.454 2.824 5.153) 6.816 7.621 ( -0.473 -0.874 0.475) 1.102 7.782 ( -1.578 3.962 0.158) 4.268 7.846 ( 0.906 -0.728 -1.096) 1.598 8.017 ( 6.277 1.305 -1.763) 6.649 8.148 ( -1.927 -5.757 4.016) 7.279 8.236 ( -7.921 -3.410 -2.773) 9.059 8.299 ( 5.378 -0.199 -1.672) 5.636 8.454 ( -2.698 -5.071 -3.121) 6.537 8.516 ( 6.830 -2.891 -4.762) 8.814 8.586 ( -2.350 -6.271 -0.960) 6.766 8.746 ( 1.217 1.620 1.465) 2.500 8.940 ( 4.639 11.255 -10.355) 15.982 9.063 ( 5.983 -2.449 0.136) 6.466 9.156 ( 3.259 3.439 -6.669) 8.181 9.233 ( 8.367 4.356 -1.375) 9.533 9.483 ( 1.072 -2.827 -1.397) 3.330 9.569 ( -0.341 -0.327 -3.896) 3.925 9.703 ( 3.962 1.668 -6.479) 7.775 9.828 ( -1.611 -4.678 0.082) 4.949 9.985 ( 4.758 -3.929 0.070) 6.171 10.209 ( 1.340 -5.927 -1.181) 6.191 10.314 ( 7.116 -2.731 -3.579) 8.421 10.873 ( 0.881 4.911 1.291) 5.154 11.033 ( 2.233 -3.290 3.748) 5.464 11.358 ( -2.136 1.993 -1.658) 3.359 11.584 ( -1.142 -3.642 -0.397) 3.837 11.618 ( -2.174 -2.440 0.500) 3.306 11.767 ( -7.132 -4.697 -7.445) 11.330 12.420 ( -3.238 -0.686 0.053) 3.311 12.490 ( -2.322 -0.103 -0.770) 2.449 12.612 ( 0.901 -3.726 -2.203) 4.422 12.727 ( 1.015 -1.977 0.208) 2.232 12.750 ( -4.700 0.357 0.147) 4.716 12.884 ( 3.942 0.964 1.289) 4.258 12.978 ( 2.005 -2.096 -0.136) 2.904 13.160 ( 5.457 -7.393 11.879) 15.018 14.117 ( -2.005 4.023 1.565) 4.760 14.299 ( 1.380 3.812 -1.243) 4.240 14.381 ( 2.771 6.337 0.468) 6.932 14.570 ( -5.966 8.239 -1.859) 10.340 15.019 ( 0.139 -1.660 3.212) 3.618 15.070 ( 1.220 -4.805 -2.837) 5.712 15.361 ( 3.393 -4.024 5.079) 7.315 15.535 ( 0.074 0.792 -1.684) 1.863 15.549 ( 1.633 -1.419 3.579) 4.183 15.776 ( -5.133 -7.172 2.420) 9.146 15.899 ( 7.929 -3.852 0.752) 8.847 16.093 ( 2.901 -1.962 -3.789) 5.160 16.272 ( -0.069 3.691 1.566) 4.010 16.416 ( 1.843 -0.785 1.178) 2.324 16.519 ( 1.909 2.602 -0.010) 3.227 16.675 ( -1.902 0.076 3.140) 3.672 16.819 ( -1.604 -2.120 -0.599) 2.725 17.043 ( 2.105 5.550 -0.406) 5.949 17.100 ( -1.917 -4.395 -4.392) 6.502 17.173 ( -7.742 0.649 -0.938) 7.825 17.365 ( 4.099 2.549 4.628) 6.687 17.508 ( 2.274 0.622 0.074) 2.359 17.529 ( 1.912 1.911 2.004) 3.365 17.708 ( 2.023 0.948 -0.670) 2.333 18.014 ( -1.083 -0.301 -4.669) 4.802 18.198 ( -6.433 2.535 -0.419) 6.927 18.275 ( -2.042 -3.031 -4.278) 5.626 18.370 ( -6.935 -2.207 -0.678) 7.309 18.818 ( 2.887 1.137 3.664) 4.802 18.925 ( 4.190 0.231 -2.381) 4.825 19.052 ( -1.711 2.935 3.876) 5.154 19.102 ( 0.736 0.205 1.340) 1.543 20.939 ( -0.067 4.235 0.972) 4.345 21.025 ( 0.415 6.145 0.623) 6.190 21.128 ( 0.517 1.765 -0.985) 2.087 21.315 ( 2.850 1.451 -3.350) 4.632 21.405 ( -1.355 -2.052 -0.183) 2.466 21.434 ( -1.583 0.103 -1.794) 2.395 21.559 ( 2.167 0.471 -0.062) 2.219 21.605 ( 2.574 -0.178 -2.731) 3.757 26.797 ( -0.081 1.294 1.569) 2.035 26.843 ( 1.169 0.767 -1.126) 1.795 26.881 ( -0.380 -0.465 1.013) 1.178 26.930 ( 0.470 -1.069 -0.808) 1.420 27.657 ( -0.265 0.264 -0.434) 0.573 27.667 ( 0.102 0.259 -0.218) 0.354 27.737 ( -0.736 -0.405 -0.283) 0.886 27.741 ( -1.193 -0.510 0.402) 1.358 35.708 ( -1.151 2.854 5.633) 6.419 35.797 ( 2.916 3.722 -3.260) 5.743 36.005 ( 1.956 -2.758 8.342) 9.001 36.081 ( 2.346 -1.753 0.785) 3.032 37.051 ( 0.324 -1.457 11.490) 11.586 37.118 ( -2.358 -2.231 4.673) 5.690 37.492 ( 2.035 2.518 -0.305) 3.252 37.528 ( -1.089 2.034 -4.236) 4.823 37.671 ( 4.577 0.698 -5.335) 7.064 37.715 ( 1.908 3.346 -2.470) 4.576 38.025 ( -13.638 -5.637 1.253) 14.810 38.112 ( -12.526 -3.826 -0.916) 13.129 38.471 ( -0.359 -2.345 10.192) 10.465 39.255 ( 7.057 -13.419 -2.201) 15.321 39.736 ( -10.010 -2.996 -14.924) 18.218 40.118 ( -6.142 -8.587 -2.538) 10.858 ======================= Grid point 135 (69/100) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -0.834 12.791 5.878) 14.102 1.782 ( 1.483 11.360 6.384) 13.115 1.991 ( -4.569 8.744 -6.737) 11.947 2.076 ( 6.171 5.846 -5.950) 10.376 2.236 ( -1.654 -2.651 4.009) 5.082 2.366 ( 1.296 -3.650 -4.217) 5.725 2.529 ( -1.629 10.075 8.118) 13.041 2.601 ( 6.834 1.596 1.670) 7.214 2.765 ( -6.665 -7.633 3.373) 10.680 2.820 ( 4.230 -5.430 1.106) 6.972 2.997 ( -0.188 -1.024 0.396) 1.114 3.056 ( 2.556 -2.814 1.625) 4.134 3.626 ( 2.348 4.549 4.702) 6.950 3.891 ( -4.505 -5.863 -6.126) 9.601 4.193 ( -4.252 1.575 8.936) 10.021 4.292 ( -5.296 -2.073 13.141) 14.319 4.408 ( -1.513 0.928 -0.215) 1.788 4.588 ( 7.256 -3.071 4.959) 9.309 4.620 ( 0.431 5.228 2.477) 5.801 4.661 ( -0.582 1.780 -4.119) 4.525 4.778 ( 3.488 -3.928 -3.876) 6.528 4.882 ( 3.725 -0.519 1.156) 3.935 5.006 ( -3.681 1.213 -4.728) 6.113 5.129 ( 3.334 -2.211 2.348) 4.639 5.257 ( 6.945 4.273 4.367) 9.250 5.356 ( -4.404 -1.528 3.025) 5.557 5.447 ( 2.610 2.950 -0.031) 3.940 5.592 ( -3.135 -4.917 -3.933) 7.034 5.661 ( -1.941 3.270 6.727) 7.728 5.804 ( 2.331 -3.070 3.395) 5.137 5.866 ( -1.151 -0.272 -2.331) 2.614 5.942 ( -7.845 -3.812 -1.755) 8.897 6.233 ( -6.659 0.697 2.315) 7.085 6.426 ( -2.176 -3.870 -3.503) 5.656 6.472 ( -2.532 -1.020 2.053) 3.415 6.596 ( 4.840 -6.117 -2.592) 8.220 6.926 ( -1.395 10.843 2.377) 11.188 6.997 ( -7.696 8.197 1.196) 11.307 7.126 ( 4.999 1.939 4.972) 7.313 7.229 ( -5.072 -0.731 0.949) 5.212 7.314 ( 6.074 8.516 0.692) 10.483 7.387 ( 4.790 9.101 -2.203) 10.518 7.460 ( 3.183 1.448 5.167) 6.239 7.635 ( -0.798 1.243 3.186) 3.512 7.646 ( 3.947 2.074 1.762) 4.794 7.742 ( -7.528 -3.110 -5.202) 9.664 7.796 ( -5.951 1.490 2.806) 6.746 7.929 ( -1.926 -7.529 -1.632) 7.941 8.114 ( 2.397 -2.329 2.247) 4.028 8.144 ( 1.820 0.874 2.113) 2.923 8.245 ( -4.418 -3.920 3.122) 6.681 8.345 ( 1.245 -1.998 -1.655) 2.877 8.416 ( 4.274 -3.125 -4.993) 7.278 8.555 ( 5.145 -7.006 -4.603) 9.835 8.874 ( -0.350 5.568 5.739) 8.004 9.037 ( -2.004 3.247 -1.088) 3.967 9.098 ( 0.899 4.321 -4.799) 6.520 9.297 ( 3.420 9.178 -5.568) 11.266 9.349 ( 1.181 -1.949 -7.672) 8.003 9.476 ( -0.620 1.461 2.600) 3.046 9.547 ( 6.458 -3.470 -7.097) 10.204 9.673 ( -3.913 -4.918 0.254) 6.289 9.748 ( -2.568 5.583 -6.603) 9.020 9.926 ( -0.100 -4.340 -6.997) 8.235 10.072 ( -0.677 -4.767 2.934) 5.639 10.233 ( -0.276 -6.203 -5.406) 8.233 10.930 ( -3.139 -1.222 3.097) 4.575 10.970 ( 2.245 -3.144 0.045) 3.864 11.421 ( -0.721 2.722 0.693) 2.900 11.495 ( 0.000 1.100 -2.687) 2.903 11.558 ( -1.127 -1.115 -0.663) 1.718 11.599 ( -1.502 -1.445 -3.550) 4.116 12.409 ( -0.769 1.733 2.126) 2.849 12.488 ( -2.393 4.272 1.424) 5.099 12.529 ( 0.891 -4.172 -0.999) 4.382 12.656 ( -0.774 0.009 -3.260) 3.351 12.752 ( -1.053 0.599 4.495) 4.655 12.941 ( 2.048 -4.258 -2.725) 5.454 13.002 ( 3.391 -0.956 3.565) 5.012 13.094 ( 0.979 -5.952 1.151) 6.141 14.233 ( 1.704 3.381 3.410) 5.095 14.321 ( 1.087 -0.125 -0.851) 1.386 14.642 ( -3.940 8.650 -1.243) 9.586 14.655 ( 7.237 6.698 -1.778) 10.020 14.994 ( -1.642 -2.571 1.332) 3.329 15.011 ( 2.176 -4.469 3.248) 5.938 15.343 ( -0.815 -3.284 1.103) 3.559 15.488 ( -3.835 -7.267 -3.912) 9.101 15.534 ( -1.085 -2.165 2.257) 3.310 15.561 ( 0.636 -2.702 2.817) 3.955 16.014 ( -0.130 3.176 2.005) 3.758 16.095 ( 1.464 0.520 -1.439) 2.118 16.376 ( 1.248 2.824 3.689) 4.811 16.435 ( 1.277 -0.413 0.053) 1.344 16.528 ( -5.000 0.938 2.338) 5.599 16.589 ( -6.833 -1.133 2.138) 7.248 16.782 ( 2.502 -1.349 -2.780) 3.976 16.846 ( -3.903 -4.190 -3.842) 6.896 17.157 ( -0.039 1.773 0.204) 1.785 17.186 ( 1.804 1.144 -0.440) 2.181 17.484 ( 0.830 1.087 1.525) 2.048 17.548 ( 1.342 -0.848 5.054) 5.298 17.628 ( 1.177 4.679 -1.658) 5.101 17.760 ( 3.039 -0.578 -0.969) 3.241 18.034 ( 3.552 1.159 -4.150) 5.584 18.076 ( -0.980 0.655 -6.267) 6.377 18.198 ( -2.443 -1.271 0.515) 2.802 18.240 ( 2.569 -2.827 -1.377) 4.061 18.901 ( -1.565 2.137 3.505) 4.394 18.954 ( -0.712 -0.282 1.311) 1.519 19.093 ( -0.724 0.921 1.355) 1.791 19.115 ( 0.180 -0.504 0.788) 0.953 21.047 ( 0.429 4.549 1.655) 4.860 21.117 ( -0.793 3.453 -1.534) 3.860 21.207 ( 0.060 3.639 2.840) 4.617 21.328 ( 0.917 0.298 -2.145) 2.352 21.363 ( 0.550 -1.330 0.403) 1.494 21.375 ( -0.542 -2.660 -0.349) 2.737 21.563 ( -0.515 -0.701 -2.248) 2.411 21.572 ( 0.186 -1.022 -3.899) 4.035 26.826 ( -0.888 1.117 1.217) 1.876 26.858 ( -0.230 -0.257 0.207) 0.402 26.885 ( 0.718 0.304 -0.042) 0.780 26.914 ( 0.867 -0.915 -0.877) 1.535 27.659 ( -0.026 0.514 0.094) 0.523 27.671 ( 0.213 0.133 -0.260) 0.362 27.716 ( -0.328 -0.223 -0.039) 0.399 27.725 ( 0.289 -0.461 -0.316) 0.629 35.796 ( -3.015 4.483 5.299) 7.568 35.930 ( 4.544 4.924 -1.894) 6.963 35.997 ( -2.379 -5.273 6.379) 8.611 36.105 ( 4.661 -3.441 0.178) 5.796 37.114 ( -0.288 -0.884 8.283) 8.335 37.165 ( 2.967 -4.529 12.689) 13.796 37.446 ( -3.649 0.842 -6.887) 7.839 37.545 ( -6.683 -4.251 -5.684) 9.749 37.609 ( 1.896 4.472 0.577) 4.891 37.732 ( 3.004 -0.785 -4.130) 5.166 37.866 ( -1.169 1.114 -0.784) 1.795 37.885 ( -0.679 -0.603 -1.418) 1.684 38.628 ( 0.086 6.000 11.846) 13.279 39.011 ( 1.004 -10.889 -4.092) 11.676 39.681 ( 5.288 -0.245 -5.671) 7.758 39.805 ( -5.953 -5.512 -7.912) 11.332 ======================= Grid point 136 (70/100) ======================= q-point: ( 0.17 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -1.077 9.781 8.613) 13.077 1.757 ( -2.871 9.294 0.138) 9.728 1.945 ( 5.492 2.490 -9.280) 11.067 2.086 ( -4.673 -1.964 2.045) 5.466 2.230 ( 2.223 7.768 -0.620) 8.104 2.403 ( -0.025 4.861 -0.125) 4.862 2.526 ( 2.571 1.548 -4.317) 5.257 2.632 ( -7.677 -8.464 1.770) 11.564 2.769 ( 6.171 2.193 2.071) 6.869 2.897 ( 1.412 -2.736 1.057) 3.255 3.043 ( 3.657 0.124 1.534) 3.967 3.126 ( 4.510 -3.922 -1.139) 6.084 3.658 ( -5.474 1.063 -0.282) 5.584 3.786 ( 2.531 -3.330 1.414) 4.415 4.188 ( -6.568 2.704 7.295) 10.182 4.290 ( -10.912 -1.049 9.919) 14.784 4.317 ( -4.260 6.323 1.085) 7.701 4.584 ( -2.890 4.163 -0.368) 5.082 4.626 ( -2.392 -1.398 -7.548) 8.040 4.738 ( 0.849 -1.823 0.934) 2.217 4.787 ( 7.397 0.527 4.717) 8.789 4.931 ( 8.164 -1.849 -5.638) 10.092 5.046 ( 4.136 1.911 -1.577) 4.822 5.200 ( 5.627 -1.627 -5.621) 8.118 5.339 ( -1.418 0.934 1.285) 2.129 5.411 ( -1.047 3.582 -2.989) 4.781 5.454 ( 4.428 -2.620 4.817) 7.048 5.553 ( 2.114 -6.418 -2.969) 7.381 5.737 ( -2.461 3.500 -1.642) 4.584 5.755 ( 0.997 -2.115 5.647) 6.112 5.944 ( 7.879 -1.648 -1.157) 8.132 5.961 ( 4.215 -1.152 8.339) 9.415 6.242 ( 4.378 -3.960 6.864) 9.053 6.388 ( 1.417 -6.891 1.646) 7.226 6.490 ( 1.560 4.581 1.590) 5.094 6.675 ( 5.867 -1.768 -3.324) 6.971 6.894 ( -4.501 4.830 4.918) 8.233 6.927 ( -2.762 9.630 3.478) 10.604 7.097 ( -4.778 -2.443 -1.759) 5.648 7.209 ( -10.265 8.413 -1.911) 13.409 7.295 ( 3.609 -0.373 4.485) 5.769 7.435 ( -12.845 1.612 -4.867) 13.830 7.502 ( 8.568 5.296 -0.572) 10.089 7.564 ( -0.341 4.693 4.266) 6.351 7.722 ( 7.817 0.440 -1.304) 7.937 7.760 ( 2.013 -1.527 3.871) 4.623 7.817 ( 0.506 -1.900 4.080) 4.529 8.018 ( 6.865 -5.045 2.668) 8.928 8.122 ( -5.037 -3.910 0.479) 6.395 8.174 ( 1.242 2.875 2.860) 4.241 8.252 ( 1.082 -5.541 -0.653) 5.684 8.360 ( 6.157 3.495 -3.137) 7.744 8.434 ( 1.724 -3.201 -2.820) 4.601 8.546 ( 1.219 -1.616 -10.204) 10.403 8.895 ( -4.033 6.776 1.872) 8.104 8.924 ( -2.355 6.487 1.314) 7.026 9.055 ( -2.420 1.920 -3.798) 4.895 9.220 ( -8.055 -2.510 -5.895) 10.292 9.284 ( 0.572 3.057 -5.104) 5.977 9.449 ( -2.988 -1.729 -8.388) 9.071 9.543 ( -0.030 6.443 7.155) 9.628 9.572 ( -9.338 -0.024 -4.180) 10.231 9.667 ( -0.838 -4.017 3.358) 5.303 9.907 ( 2.924 -6.728 -4.082) 8.395 10.044 ( -5.603 -4.645 3.330) 8.004 10.138 ( -3.812 -6.558 -3.631) 8.409 10.909 ( -0.514 1.138 1.822) 2.208 11.021 ( 1.954 -4.162 0.500) 4.625 11.392 ( -2.219 3.331 0.463) 4.029 11.482 ( 0.222 3.800 -0.128) 3.809 11.539 ( -0.321 -2.689 -0.208) 2.716 11.588 ( 1.504 -3.026 -0.097) 3.380 12.421 ( -0.426 2.394 1.789) 3.019 12.494 ( 1.211 3.547 2.624) 4.576 12.553 ( 1.847 -3.823 -0.341) 4.260 12.630 ( 0.765 0.853 -1.711) 2.059 12.759 ( -2.367 0.080 2.785) 3.656 12.937 ( -0.376 -5.653 -2.352) 6.135 13.039 ( 1.967 0.071 -2.930) 3.529 13.174 ( 4.922 -5.861 0.041) 7.654 14.294 ( 1.997 2.915 -0.098) 3.534 14.329 ( 1.517 1.293 -1.172) 2.312 14.554 ( -3.604 7.851 -1.323) 8.739 14.718 ( 1.708 2.087 -4.456) 5.208 14.986 ( -0.955 0.365 3.428) 3.577 15.071 ( 2.172 -2.698 0.368) 3.483 15.310 ( -4.253 -4.949 0.798) 6.574 15.400 ( -2.748 -8.004 2.142) 8.729 15.535 ( -3.075 -2.024 3.696) 5.217 15.589 ( 0.169 -3.144 1.346) 3.424 15.949 ( -4.430 3.322 -1.734) 5.802 16.072 ( -2.667 -0.458 -2.385) 3.607 16.379 ( -1.625 1.578 -1.784) 2.883 16.424 ( -1.780 1.176 2.127) 3.012 16.503 ( -1.832 1.590 3.374) 4.155 16.564 ( -2.263 -0.843 5.511) 6.017 16.790 ( 1.542 -1.837 -1.383) 2.768 16.811 ( 1.643 -2.260 0.879) 2.929 17.162 ( -0.056 1.463 0.015) 1.465 17.210 ( 2.062 -0.015 -1.524) 2.564 17.478 ( -2.086 1.674 0.877) 2.814 17.546 ( -4.233 -0.957 3.752) 5.737 17.648 ( 1.209 5.352 -2.097) 5.874 17.781 ( 1.094 -0.568 -2.416) 2.712 18.011 ( 6.511 2.076 -5.485) 8.763 18.152 ( 2.880 -3.736 -2.578) 5.375 18.233 ( 9.673 1.496 -0.871) 9.827 18.327 ( 5.955 -2.321 -0.871) 6.451 18.857 ( -5.270 2.492 2.097) 6.195 18.911 ( -4.840 -0.296 0.471) 4.872 19.100 ( -0.217 0.846 1.892) 2.084 19.136 ( 0.543 -0.779 1.196) 1.528 21.069 ( -0.272 3.802 1.055) 3.955 21.096 ( 0.447 3.688 -0.589) 3.762 21.189 ( -3.565 3.748 1.015) 5.271 21.317 ( -0.166 1.287 -2.164) 2.524 21.364 ( 0.529 -1.364 -0.128) 1.468 21.398 ( 2.157 -1.169 0.330) 2.476 21.533 ( -0.711 -1.456 -0.478) 1.689 21.544 ( -0.560 -1.398 -1.567) 2.173 26.813 ( -1.585 1.143 1.114) 2.249 26.854 ( -0.539 -0.749 0.474) 1.037 26.895 ( 0.612 0.449 -0.614) 0.976 26.921 ( 0.786 -0.626 -1.140) 1.520 27.663 ( 0.224 0.654 0.192) 0.718 27.674 ( 0.512 0.388 -0.488) 0.807 27.719 ( 0.580 -0.263 0.123) 0.649 27.736 ( 0.953 -0.795 -0.214) 1.260 35.770 ( -3.766 4.536 3.240) 6.727 35.972 ( -3.562 -4.616 2.553) 6.365 35.993 ( 3.217 4.790 -2.632) 6.342 36.177 ( 3.209 -3.268 -2.150) 5.060 37.181 ( -2.726 0.427 8.860) 9.279 37.260 ( -5.549 -3.763 8.664) 10.955 37.339 ( -0.795 -0.004 -6.079) 6.131 37.414 ( -1.851 -3.585 -5.360) 6.709 37.649 ( 3.240 5.002 0.935) 6.032 37.751 ( 6.616 -0.230 -3.113) 7.315 37.953 ( 10.200 -1.009 0.367) 10.257 37.987 ( 8.190 -1.847 0.449) 8.407 38.671 ( -6.831 6.004 7.215) 11.609 38.982 ( 1.233 -10.399 -4.124) 11.254 39.612 ( -5.089 0.192 -6.108) 7.953 39.789 ( 7.368 -9.383 0.302) 11.935 ======================= Grid point 137 (71/100) ======================= q-point: ( 0.33 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -0.850 5.887 2.625) 6.501 1.818 ( -0.270 2.513 3.668) 4.454 1.927 ( 1.579 2.076 -5.304) 5.911 2.050 ( -0.357 -3.337 -0.400) 3.380 2.217 ( -3.732 8.832 0.015) 9.588 2.285 ( -4.836 4.896 -6.945) 9.777 2.523 ( -0.674 -0.135 -0.490) 0.844 2.590 ( 0.935 -3.922 -1.402) 4.269 2.874 ( 2.636 1.908 0.051) 3.255 2.944 ( 3.228 0.078 4.030) 5.164 3.098 ( 1.727 0.365 -3.202) 3.656 3.178 ( 1.664 -2.915 -1.949) 3.882 3.601 ( 1.712 2.144 -0.155) 2.748 3.841 ( 0.635 -8.547 0.504) 8.585 4.078 ( -10.866 2.422 2.182) 11.345 4.130 ( -8.745 0.299 3.523) 9.433 4.307 ( -1.395 6.315 3.666) 7.434 4.482 ( -5.069 -0.305 -1.578) 5.318 4.556 ( 0.687 11.432 0.322) 11.457 4.790 ( 0.987 0.400 -3.034) 3.216 4.873 ( 2.552 6.904 -0.751) 7.398 5.053 ( 3.814 6.552 -5.120) 9.148 5.123 ( 7.765 -4.771 0.961) 9.164 5.216 ( -3.806 3.865 -2.091) 5.813 5.238 ( 2.967 1.028 -6.798) 7.488 5.430 ( 3.055 -2.222 0.453) 3.805 5.489 ( 0.953 -3.720 -1.955) 4.309 5.620 ( -1.611 -12.451 6.619) 14.193 5.777 ( 6.332 1.120 -1.355) 6.571 5.869 ( 7.786 3.058 1.576) 8.512 5.989 ( -4.524 5.417 2.404) 7.455 6.152 ( 9.652 -0.280 3.462) 10.258 6.442 ( 4.746 -4.965 7.886) 10.458 6.459 ( -0.710 -5.633 5.014) 7.574 6.578 ( 2.270 2.646 5.785) 6.754 6.787 ( 7.897 -3.036 0.535) 8.477 6.821 ( -8.486 1.462 6.514) 10.798 6.871 ( -2.681 2.643 0.696) 3.829 7.070 ( -0.633 2.007 -2.891) 3.576 7.082 ( 5.698 -3.982 -1.634) 7.141 7.202 ( -7.648 3.750 -0.990) 8.575 7.372 ( -0.834 -4.855 -1.115) 5.051 7.535 ( -4.919 9.555 6.630) 12.627 7.672 ( 2.944 2.413 1.064) 3.952 7.709 ( -0.635 0.088 -7.766) 7.793 7.844 ( 0.062 -2.144 0.776) 2.281 7.854 ( -2.588 1.970 4.769) 5.773 7.996 ( -3.526 -3.973 -8.466) 9.994 8.025 ( -6.715 -0.182 0.277) 6.723 8.185 ( 6.384 -3.717 3.834) 8.323 8.293 ( -5.373 2.498 -3.747) 7.011 8.379 ( 6.735 0.458 -8.161) 10.591 8.532 ( 7.023 2.548 -0.188) 7.473 8.595 ( 11.787 0.243 2.503) 12.052 8.811 ( -4.434 3.898 -1.408) 6.070 8.937 ( -0.603 2.250 -3.303) 4.042 8.994 ( -2.545 1.632 -3.606) 4.706 9.029 ( -1.806 1.337 2.211) 3.152 9.234 ( -10.079 1.927 -2.825) 10.644 9.275 ( 1.106 2.538 -3.026) 4.101 9.447 ( -1.939 -7.735 1.342) 8.086 9.546 ( -6.547 -0.908 3.243) 7.362 9.707 ( 1.771 -1.157 4.655) 5.113 9.894 ( -0.975 -4.532 -1.584) 4.899 9.971 ( -4.192 -4.087 3.483) 6.812 10.064 ( -1.810 -5.369 -1.713) 5.919 10.939 ( 1.566 2.221 0.865) 2.852 11.041 ( 0.353 -2.530 -0.660) 2.638 11.378 ( -0.114 2.634 2.077) 3.356 11.507 ( 1.026 2.031 2.871) 3.663 11.538 ( -0.053 -2.913 0.471) 2.951 11.628 ( 1.772 -4.083 0.938) 4.549 12.433 ( 0.244 2.242 1.516) 2.717 12.546 ( -0.736 0.632 2.608) 2.782 12.583 ( 2.878 -0.718 0.512) 3.010 12.646 ( 1.106 -0.493 -0.031) 1.211 12.736 ( -1.247 0.451 0.839) 1.569 12.881 ( -2.186 -4.996 -3.685) 6.581 13.049 ( 2.774 1.227 -5.132) 5.961 13.197 ( -0.434 -5.326 -4.994) 7.314 14.297 ( 0.412 5.317 -1.314) 5.492 14.369 ( 1.766 1.596 -0.084) 2.382 14.503 ( 1.255 3.074 -3.062) 4.517 14.650 ( -3.603 -1.705 -3.852) 5.543 15.014 ( 0.304 2.099 2.156) 3.025 15.103 ( 1.953 -2.041 -1.838) 3.370 15.256 ( -2.797 -2.509 3.628) 5.223 15.385 ( -5.744 -7.180 8.762) 12.701 15.498 ( -2.727 0.275 3.136) 4.165 15.598 ( -0.335 -3.222 1.133) 3.432 15.868 ( -0.809 1.451 -4.879) 5.154 15.996 ( 0.148 -2.388 -5.694) 6.177 16.357 ( -0.529 0.890 -0.347) 1.092 16.389 ( -2.203 0.051 0.573) 2.277 16.480 ( -3.221 2.051 0.041) 3.819 16.530 ( -4.218 0.829 3.564) 5.584 16.845 ( 2.335 -0.100 3.176) 3.944 16.898 ( 3.071 -1.623 6.468) 7.342 17.155 ( -0.142 2.668 -1.066) 2.877 17.237 ( 1.605 -1.054 -0.352) 1.952 17.426 ( -4.032 3.073 2.474) 5.641 17.537 ( -0.407 -1.488 0.493) 1.619 17.622 ( -0.554 4.532 -1.151) 4.709 17.762 ( 0.300 -1.291 -5.153) 5.320 18.130 ( 9.056 1.188 -4.124) 10.021 18.195 ( 3.877 -1.797 -1.465) 4.518 18.407 ( 8.047 0.038 0.225) 8.050 18.428 ( 6.127 -0.885 -0.755) 6.236 18.768 ( -4.907 1.239 -0.129) 5.063 18.792 ( -7.029 -0.143 -1.250) 7.140 19.115 ( -0.498 1.258 2.234) 2.612 19.146 ( -1.048 0.231 1.671) 1.986 21.056 ( -0.518 3.824 -0.605) 3.906 21.123 ( -0.255 0.672 1.129) 1.338 21.126 ( -1.582 6.299 0.176) 6.497 21.287 ( -0.520 -0.019 -2.095) 2.159 21.381 ( 1.165 -0.578 0.512) 1.398 21.450 ( 2.619 -1.727 0.047) 3.137 21.511 ( -1.461 -0.556 0.166) 1.572 21.528 ( -0.620 -0.757 0.399) 1.057 26.796 ( -1.297 1.394 1.333) 2.324 26.850 ( -0.309 -1.039 0.390) 1.152 26.894 ( 0.066 0.535 -1.008) 1.143 26.921 ( 0.530 -0.589 -1.381) 1.593 27.668 ( 0.180 0.843 -0.051) 0.864 27.681 ( 0.587 0.461 -0.420) 0.856 27.736 ( 0.884 -0.429 0.178) 0.998 27.750 ( 0.609 -1.050 -0.108) 1.218 35.731 ( -3.092 4.240 2.557) 5.838 35.914 ( -3.947 -4.363 1.416) 6.051 36.000 ( 1.377 5.009 -5.713) 7.722 36.167 ( 0.218 -2.540 -6.189) 6.693 37.171 ( -5.470 0.626 6.869) 8.803 37.225 ( -5.534 -2.061 6.574) 8.837 37.310 ( 2.917 0.509 -4.306) 5.226 37.349 ( 1.559 -0.855 -5.264) 5.556 37.744 ( 3.625 7.647 3.190) 9.044 37.866 ( 6.967 3.017 -2.693) 8.056 38.134 ( 5.754 -1.433 2.591) 6.472 38.210 ( 13.759 -8.724 1.840) 16.395 38.541 ( -9.066 4.271 -0.161) 10.023 38.899 ( -6.514 -12.921 -5.782) 15.582 39.592 ( 4.340 1.421 4.363) 6.316 39.917 ( 4.809 -14.524 0.987) 15.331 ======================= Grid point 138 (72/100) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -5.202 5.549 4.440) 8.807 1.787 ( 0.410 3.180 -1.484) 3.533 1.944 ( 0.488 3.266 1.635) 3.684 2.009 ( -3.740 2.147 1.400) 4.534 2.153 ( 2.176 0.794 -3.825) 4.472 2.196 ( 0.775 1.472 -7.196) 7.386 2.533 ( 2.169 -0.040 0.171) 2.176 2.584 ( 1.236 -2.836 -2.803) 4.174 2.889 ( -1.960 5.417 2.085) 6.127 3.037 ( -2.716 2.938 -5.156) 6.526 3.043 ( 1.336 -0.989 4.235) 4.550 3.147 ( -2.163 -2.149 -2.177) 3.746 3.706 ( 5.733 0.940 4.527) 7.365 3.779 ( -7.965 -1.761 -2.990) 8.688 3.959 ( -1.715 -0.902 3.735) 4.208 4.004 ( -5.496 -2.427 0.022) 6.008 4.328 ( 0.224 3.516 4.433) 5.662 4.412 ( -1.159 0.747 -1.185) 1.818 4.591 ( 1.139 10.290 0.341) 10.358 4.793 ( 3.192 2.405 -0.173) 4.000 4.871 ( 0.954 6.962 -6.237) 9.395 5.058 ( -3.252 6.784 -2.393) 7.894 5.102 ( -6.293 7.125 -0.804) 9.540 5.185 ( 4.607 4.676 -3.861) 7.615 5.310 ( 3.425 -0.972 3.018) 4.667 5.498 ( 1.816 -2.111 -0.144) 2.789 5.536 ( 4.185 -2.865 0.130) 5.073 5.553 ( -7.016 -12.332 -0.858) 14.215 5.803 ( -8.223 4.489 3.666) 10.061 5.897 ( 1.048 0.496 -1.607) 1.982 6.012 ( 2.806 3.706 3.216) 5.652 6.213 ( -4.891 -0.543 -5.713) 7.540 6.512 ( 0.555 -1.741 10.065) 10.229 6.556 ( 6.827 -3.564 7.635) 10.845 6.696 ( -4.801 2.141 6.430) 8.305 6.829 ( 6.650 0.169 8.220) 10.574 6.901 ( -1.187 -1.155 -0.987) 1.928 6.922 ( -2.257 -0.527 -1.522) 2.773 7.008 ( 7.033 -1.474 5.642) 9.136 7.109 ( -6.999 -0.130 -0.504) 7.019 7.149 ( -4.872 0.127 3.204) 5.833 7.337 ( 4.493 -6.467 -5.761) 9.756 7.445 ( -5.646 1.163 -5.398) 7.898 7.532 ( -6.398 -0.410 -2.189) 6.775 7.662 ( -5.198 1.573 -2.250) 5.878 7.715 ( -5.979 0.708 -0.185) 6.024 7.829 ( 2.268 1.445 -2.262) 3.514 7.916 ( -2.837 -5.617 5.847) 8.590 8.058 ( 7.492 5.662 -6.940) 11.677 8.271 ( 2.541 1.131 3.702) 4.631 8.347 ( 1.769 -0.847 -5.988) 6.301 8.431 ( 12.695 -7.158 1.063) 14.613 8.581 ( -4.611 9.068 -2.156) 10.399 8.679 ( -2.954 -0.029 -3.805) 4.817 8.799 ( -7.353 -3.411 -3.427) 8.800 8.894 ( 4.764 -3.874 0.040) 6.140 8.909 ( 6.612 8.144 -0.630) 10.509 9.008 ( -2.511 2.035 -0.245) 3.242 9.210 ( 2.125 0.019 1.628) 2.677 9.300 ( 4.550 3.933 -1.526) 6.205 9.417 ( -3.928 -6.754 3.789) 8.683 9.549 ( 7.250 -6.211 0.092) 9.547 9.776 ( 0.148 1.240 4.692) 4.855 9.889 ( 2.314 -0.330 -0.848) 2.487 9.971 ( 0.731 -4.491 2.380) 5.135 10.025 ( 0.887 -3.664 -2.577) 4.566 10.959 ( -0.312 1.917 0.432) 1.990 11.021 ( -0.955 -0.021 -2.292) 2.483 11.424 ( 1.033 0.139 3.665) 3.811 11.528 ( 0.391 -0.963 -1.937) 2.198 11.574 ( 0.551 -1.859 5.020) 5.382 11.666 ( 1.509 -4.407 1.093) 4.784 12.460 ( 0.519 0.357 2.290) 2.375 12.524 ( -2.003 -1.737 0.055) 2.652 12.631 ( -1.684 1.042 2.770) 3.405 12.680 ( 3.595 -1.472 0.690) 3.945 12.727 ( -0.923 1.095 0.457) 1.503 12.801 ( -1.128 -2.330 -4.410) 5.114 13.037 ( 1.189 0.385 -4.547) 4.715 13.089 ( -3.487 -1.781 -7.068) 8.080 14.299 ( -0.542 5.396 1.035) 5.521 14.364 ( -0.583 3.988 -1.157) 4.193 14.529 ( -2.982 -1.534 -3.026) 4.517 14.565 ( 5.566 -2.064 -3.727) 7.009 15.008 ( -3.553 0.412 2.366) 4.288 15.107 ( 0.467 -3.176 -2.625) 4.147 15.275 ( -1.948 0.693 8.154) 8.412 15.372 ( -2.726 -3.130 6.956) 8.101 15.515 ( 0.535 -0.506 2.657) 2.757 15.605 ( -0.024 -3.461 1.529) 3.784 15.822 ( 1.568 1.515 -5.866) 6.258 15.974 ( 4.479 -4.522 -8.462) 10.588 16.338 ( -1.368 1.339 1.475) 2.417 16.365 ( -1.431 0.759 0.895) 1.851 16.453 ( 0.264 1.896 1.093) 2.204 16.505 ( 1.358 -0.568 -0.982) 1.769 16.928 ( 0.944 2.120 6.502) 6.903 17.009 ( 1.168 -1.259 7.476) 7.671 17.128 ( -0.580 3.417 -2.908) 4.524 17.251 ( 0.437 -2.548 -1.766) 3.130 17.390 ( -3.326 4.043 4.192) 6.707 17.505 ( -4.040 -0.524 2.383) 4.720 17.623 ( 1.178 1.777 -2.250) 3.099 17.698 ( -0.016 -0.708 -6.739) 6.776 18.216 ( 1.547 -0.277 -1.985) 2.532 18.228 ( 1.777 -0.681 -2.575) 3.202 18.506 ( -0.466 1.087 2.846) 3.082 18.543 ( 2.996 -0.771 0.852) 3.209 18.657 ( -2.581 1.034 -2.128) 3.501 18.708 ( 3.165 -1.469 -4.736) 5.882 19.119 ( -1.620 1.678 2.580) 3.478 19.134 ( -1.946 1.282 2.091) 3.131 21.043 ( -0.983 4.010 0.467) 4.155 21.088 ( 0.264 4.696 -1.533) 4.947 21.157 ( 0.001 0.866 2.537) 2.681 21.265 ( 0.925 -0.708 -2.752) 2.988 21.417 ( 1.377 -0.808 1.238) 2.020 21.449 ( -2.166 -1.943 -0.518) 2.956 21.521 ( 0.250 0.336 0.171) 0.452 21.529 ( 2.340 0.381 0.104) 2.373 26.794 ( -0.440 1.590 1.652) 2.335 26.851 ( 0.192 -0.840 0.111) 0.869 26.880 ( -0.367 0.499 -0.939) 1.125 26.915 ( 0.301 -0.842 -1.411) 1.670 27.669 ( -0.027 0.758 0.045) 0.760 27.684 ( 0.162 0.324 -0.595) 0.697 27.749 ( 0.233 -0.484 0.141) 0.555 27.754 ( -0.083 -0.953 -0.058) 0.958 35.713 ( -1.839 3.850 3.517) 5.529 35.866 ( -2.300 -2.729 1.071) 3.726 35.949 ( -0.420 3.637 -5.165) 6.331 36.090 ( -0.794 -2.162 -7.069) 7.435 37.119 ( -7.345 0.902 7.083) 10.244 37.169 ( -6.408 -1.537 5.546) 8.613 37.361 ( 6.499 0.643 -4.121) 7.722 37.395 ( 8.300 -0.908 -5.605) 10.056 37.788 ( -3.480 9.082 4.306) 10.636 37.950 ( 4.890 4.706 -4.049) 7.903 38.237 ( 0.941 0.852 4.832) 4.995 38.365 ( -7.944 0.511 -0.288) 7.966 38.420 ( 0.815 -8.226 4.228) 9.285 38.718 ( 0.364 -12.580 -9.176) 15.575 39.769 ( 5.682 -4.485 7.474) 10.405 39.969 ( 1.280 -14.439 -2.355) 14.685 ======================= Grid point 139 (73/100) ======================= q-point: (-0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -4.975 13.542 3.532) 14.853 1.763 ( -4.717 9.234 0.298) 10.373 1.986 ( 2.349 2.925 4.386) 5.772 2.036 ( 2.544 1.599 5.500) 6.268 2.150 ( 1.752 -2.187 -6.218) 6.820 2.195 ( 6.047 -3.514 -5.791) 9.080 2.573 ( 1.796 -1.541 -2.621) 3.531 2.613 ( 4.545 -3.283 -1.606) 5.832 2.790 ( -12.303 10.295 3.411) 16.400 2.959 ( -1.491 3.897 -0.746) 4.238 3.056 ( -4.991 -3.597 4.415) 7.572 3.075 ( -2.922 -3.277 -1.710) 4.711 3.594 ( -5.170 4.304 -3.496) 7.581 3.827 ( 2.463 -3.553 1.612) 4.614 4.001 ( 3.986 0.234 10.962) 11.667 4.069 ( 4.787 -3.146 6.289) 8.507 4.354 ( -0.203 2.668 -0.538) 2.729 4.449 ( 2.549 0.168 3.083) 4.004 4.590 ( 0.043 7.345 -2.068) 7.630 4.753 ( -0.977 -0.234 -9.114) 9.169 4.863 ( -9.628 2.878 -4.897) 11.178 4.926 ( 1.923 3.894 4.741) 6.430 5.007 ( -3.445 9.138 3.187) 10.272 5.207 ( -1.269 7.344 -5.652) 9.354 5.320 ( -3.441 1.483 3.347) 5.024 5.351 ( -5.833 -6.084 -3.242) 9.031 5.583 ( 1.137 -6.620 5.234) 8.515 5.648 ( 4.470 0.493 1.229) 4.662 5.705 ( -6.215 3.595 3.906) 8.173 5.863 ( -5.829 1.229 4.358) 7.381 6.007 ( -7.614 -2.955 -5.312) 9.742 6.100 ( 1.613 -0.022 3.250) 3.628 6.528 ( -10.534 -0.705 -0.406) 10.565 6.636 ( -0.763 0.634 4.747) 4.849 6.747 ( 7.246 -0.382 4.113) 8.340 6.806 ( -8.781 0.535 0.583) 8.817 6.842 ( -11.655 -4.899 2.928) 12.977 6.910 ( -7.603 -4.320 0.948) 8.796 6.940 ( 0.625 3.230 -1.810) 3.756 7.150 ( 7.366 -1.305 -7.335) 10.477 7.200 ( -1.597 5.693 10.085) 11.691 7.254 ( 3.101 0.754 3.270) 4.569 7.446 ( 6.566 -3.565 -4.695) 8.824 7.539 ( -5.371 5.200 3.683) 8.333 7.584 ( 9.037 -4.832 -2.802) 10.624 7.675 ( -5.013 1.404 7.509) 9.137 7.886 ( 3.157 0.811 -2.844) 4.326 7.925 ( 0.541 -2.960 5.362) 6.149 8.124 ( 5.126 4.021 -6.700) 9.346 8.294 ( 2.602 -1.180 -1.517) 3.235 8.331 ( -6.333 -0.131 -1.174) 6.443 8.444 ( -0.459 -1.941 -10.189) 10.383 8.495 ( -6.690 1.265 -0.190) 6.811 8.648 ( 5.002 -0.130 2.218) 5.473 8.697 ( -10.406 -3.962 -1.538) 11.240 8.831 ( 2.483 -6.036 3.937) 7.622 9.093 ( 12.748 7.813 -6.121) 16.156 9.141 ( 9.603 5.139 1.702) 11.024 9.224 ( 2.802 3.633 -3.590) 5.826 9.355 ( 1.035 -4.014 0.299) 4.156 9.449 ( 5.217 -4.273 -3.493) 7.594 9.678 ( 5.844 -5.907 -1.992) 8.544 9.822 ( 1.948 3.829 -0.450) 4.320 9.912 ( 1.089 1.307 -0.842) 1.899 10.057 ( 4.414 -3.884 0.939) 5.955 10.078 ( 8.324 -5.899 -2.670) 10.546 10.949 ( -1.730 0.442 2.181) 2.819 10.970 ( -1.677 0.535 -2.094) 2.736 11.444 ( -1.479 1.178 0.913) 2.100 11.518 ( 0.643 -2.695 -1.301) 3.061 11.601 ( -1.181 -1.173 1.837) 2.479 11.713 ( 2.435 -5.288 -0.940) 5.897 12.464 ( -2.443 -0.617 0.448) 2.559 12.506 ( -0.244 -1.583 1.939) 2.516 12.598 ( -2.929 0.996 0.904) 3.223 12.699 ( -1.057 -0.964 -0.709) 1.597 12.763 ( 2.746 -0.806 0.575) 2.919 12.807 ( 3.645 -1.392 1.855) 4.320 12.965 ( -3.451 1.343 -3.923) 5.395 13.017 ( 0.088 -0.697 -1.183) 1.376 14.258 ( -3.989 3.910 0.319) 5.595 14.365 ( -0.462 2.155 -0.379) 2.236 14.454 ( 0.464 3.953 -1.333) 4.197 14.658 ( 6.029 -2.031 -3.207) 7.125 14.963 ( -2.955 -0.552 2.907) 4.182 15.054 ( -3.317 -3.313 -1.861) 5.044 15.306 ( -1.831 2.508 6.379) 7.094 15.434 ( 1.282 -2.205 6.475) 6.960 15.533 ( -0.429 -1.518 0.429) 1.634 15.627 ( 0.433 -6.645 0.617) 6.688 15.827 ( 5.058 3.886 -4.859) 8.019 15.998 ( 5.807 -3.885 -6.260) 9.381 16.337 ( -1.051 2.138 1.277) 2.703 16.363 ( 0.884 0.099 1.114) 1.425 16.501 ( 3.396 1.910 0.925) 4.005 16.569 ( 5.348 -1.594 -0.608) 5.614 16.948 ( -5.553 4.078 2.866) 7.462 17.063 ( 0.862 1.440 2.692) 3.172 17.130 ( -0.695 -0.646 1.178) 1.513 17.215 ( 0.825 -2.938 -3.751) 4.835 17.372 ( -4.969 2.331 6.079) 8.190 17.449 ( -3.756 -0.860 3.939) 5.510 17.599 ( 1.179 3.050 -4.452) 5.524 17.681 ( 2.563 -0.674 -2.701) 3.784 18.138 ( -4.552 1.242 -3.448) 5.843 18.224 ( -0.607 -2.399 -2.449) 3.481 18.422 ( -6.780 1.110 -1.562) 7.046 18.470 ( -6.976 -1.512 -0.179) 7.140 18.733 ( 6.392 1.800 0.972) 6.712 18.808 ( 8.195 -1.813 -2.258) 8.692 19.109 ( -2.139 1.898 2.974) 4.126 19.120 ( -1.725 1.480 2.252) 3.200 21.030 ( -0.794 4.619 0.627) 4.728 21.105 ( 2.249 4.435 -0.360) 4.986 21.165 ( -1.091 0.888 1.182) 1.837 21.276 ( 2.622 -1.421 -1.993) 3.587 21.398 ( -2.398 -1.518 -0.399) 2.866 21.431 ( -1.165 -2.596 0.804) 2.957 21.543 ( 2.467 1.744 -0.641) 3.089 21.577 ( 3.046 0.069 -1.620) 3.451 26.809 ( 0.116 1.581 1.648) 2.286 26.855 ( 0.620 0.184 -1.062) 1.244 26.869 ( -0.443 -0.107 0.527) 0.697 26.908 ( 0.352 -1.158 -1.121) 1.650 27.668 ( -0.150 0.430 0.171) 0.486 27.676 ( -0.284 0.200 -0.559) 0.659 27.744 ( -0.611 -0.461 -0.091) 0.771 27.748 ( -0.620 -0.597 -0.050) 0.862 35.732 ( -0.877 3.630 5.487) 6.637 35.853 ( 0.233 0.233 0.088) 0.341 35.912 ( -0.526 0.941 0.374) 1.141 36.028 ( 0.511 -2.354 -4.204) 4.845 37.050 ( -6.532 0.946 6.807) 9.481 37.106 ( -5.241 -1.795 4.573) 7.184 37.453 ( 7.277 1.318 -4.455) 8.634 37.515 ( 9.780 -1.579 -5.686) 11.422 37.715 ( -7.086 7.042 2.685) 10.344 37.922 ( -4.665 2.015 -3.098) 5.952 38.153 ( -9.950 0.849 0.910) 10.028 38.281 ( -11.836 -3.612 1.076) 12.422 38.371 ( 2.358 1.801 5.169) 5.960 38.811 ( 10.534 -15.349 -2.666) 18.806 39.847 ( -2.019 -5.556 -2.865) 6.569 39.961 ( 2.034 -10.185 -1.885) 10.556 ======================= Grid point 140 (74/100) ======================= q-point: (-0.17 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.989 16.172 2.600) 16.410 1.686 ( -3.610 11.728 6.135) 13.719 2.048 ( 3.246 3.496 -4.610) 6.634 2.114 ( -0.598 6.887 0.239) 6.917 2.171 ( 2.547 -5.135 1.675) 5.972 2.301 ( 9.111 -4.604 0.120) 10.209 2.528 ( -5.797 6.614 -0.131) 8.796 2.583 ( -7.427 5.756 3.623) 10.071 2.705 ( 5.235 -4.831 -0.240) 7.128 2.899 ( -8.408 -4.276 2.907) 9.871 2.999 ( -0.584 -1.012 2.871) 3.100 3.031 ( -1.956 -2.099 -0.041) 2.869 3.559 ( 1.726 5.295 0.686) 5.611 3.897 ( 3.377 -6.925 1.848) 7.923 4.207 ( -0.005 0.394 6.322) 6.334 4.238 ( 4.710 -1.506 7.727) 9.174 4.347 ( 4.345 1.101 3.672) 5.795 4.485 ( -3.896 -4.975 1.815) 6.575 4.529 ( 0.031 7.629 -0.483) 7.644 4.698 ( -0.068 1.979 -0.767) 2.124 4.804 ( 3.252 0.023 2.108) 3.876 4.846 ( -6.130 -3.219 -0.254) 6.928 5.076 ( -2.415 8.343 -2.273) 8.978 5.118 ( 3.272 5.544 6.013) 8.809 5.174 ( -5.940 -1.087 -6.899) 9.168 5.377 ( 2.647 4.799 2.488) 6.019 5.504 ( -10.397 -1.476 -0.512) 10.514 5.660 ( -2.447 0.358 2.124) 3.260 5.715 ( -0.911 -3.026 7.447) 8.090 5.755 ( -5.650 -0.140 -3.518) 6.657 5.893 ( -1.042 -4.224 -0.324) 4.363 6.141 ( -6.501 -5.745 3.722) 9.440 6.335 ( -8.287 2.058 1.276) 8.634 6.509 ( -5.894 -1.704 -1.027) 6.221 6.602 ( -12.530 -9.200 -1.670) 15.634 6.647 ( -7.146 -3.203 -3.268) 8.485 6.845 ( 5.911 5.594 3.323) 8.791 7.006 ( 7.185 -1.428 3.451) 8.098 7.026 ( 5.184 11.158 -0.489) 12.313 7.158 ( 3.641 1.348 2.681) 4.718 7.277 ( -2.636 8.167 0.861) 8.625 7.370 ( 0.779 5.898 -0.879) 6.014 7.396 ( 1.026 0.071 0.575) 1.178 7.583 ( 0.844 2.286 4.513) 5.129 7.623 ( -4.729 -0.457 7.143) 8.579 7.753 ( 7.354 -6.413 -3.169) 10.259 7.913 ( -3.761 5.557 0.554) 6.733 7.980 ( 3.491 -3.493 3.812) 6.238 8.136 ( 1.636 5.355 -3.440) 6.572 8.155 ( -12.084 -3.868 0.796) 12.713 8.308 ( 2.454 -0.913 -2.145) 3.385 8.338 ( -7.652 -4.574 -1.577) 9.053 8.457 ( 4.689 -5.659 -2.224) 7.678 8.468 ( -1.823 -4.493 -7.119) 8.613 8.789 ( 3.333 2.986 6.047) 7.523 8.961 ( 3.997 -5.286 5.282) 8.474 9.170 ( 2.976 9.439 -10.267) 14.260 9.264 ( 5.755 9.356 -6.179) 12.602 9.312 ( 7.181 3.084 -0.193) 7.817 9.412 ( 6.845 -4.323 -2.774) 8.558 9.504 ( 4.882 -4.879 -6.329) 9.365 9.710 ( 0.835 -7.511 -2.302) 7.900 9.831 ( 1.276 8.546 -6.254) 10.666 9.937 ( 2.597 -0.102 -0.637) 2.676 10.080 ( -0.593 -6.691 -1.367) 6.854 10.221 ( 7.194 -6.819 -4.507) 10.888 10.927 ( -0.692 0.985 0.826) 1.460 10.960 ( -0.903 -2.885 2.624) 4.003 11.422 ( -0.357 3.096 -0.314) 3.133 11.515 ( -0.246 -2.901 -0.665) 2.986 11.584 ( -0.960 -0.194 -0.557) 1.126 11.691 ( -1.413 -3.703 -5.819) 7.040 12.422 ( -2.089 1.104 0.781) 2.488 12.513 ( -1.581 -0.091 2.467) 2.932 12.552 ( -1.884 0.017 -1.142) 2.203 12.686 ( -0.455 -2.408 0.671) 2.541 12.766 ( -1.678 1.290 -2.591) 3.346 12.889 ( 2.928 -3.240 2.919) 5.252 12.935 ( 1.926 0.687 -1.301) 2.424 13.048 ( 0.765 -4.139 5.663) 7.056 14.202 ( -2.221 4.487 2.384) 5.545 14.324 ( -1.414 -0.673 -0.497) 1.642 14.529 ( 6.379 7.843 -0.129) 10.111 14.699 ( 0.544 3.440 -2.221) 4.130 14.957 ( -1.092 -3.153 3.945) 5.167 15.003 ( 0.045 -2.361 -1.039) 2.580 15.335 ( -0.153 1.391 2.572) 2.928 15.509 ( 0.189 -2.673 5.631) 6.236 15.522 ( -0.193 -1.390 -0.196) 1.417 15.600 ( -2.383 -8.495 -2.551) 9.184 15.921 ( 6.949 3.930 -0.571) 8.004 16.060 ( 4.114 -1.966 -1.607) 4.834 16.336 ( 0.378 2.712 0.849) 2.866 16.399 ( 1.341 -0.969 1.091) 1.981 16.562 ( 1.152 2.040 0.627) 2.425 16.650 ( 1.220 -2.268 1.516) 2.988 16.827 ( -6.033 2.494 -1.460) 6.689 16.996 ( -6.469 -5.343 -4.926) 9.729 17.140 ( 2.397 3.689 1.556) 4.666 17.191 ( -3.575 0.749 0.073) 3.654 17.398 ( 3.220 1.224 5.068) 6.128 17.471 ( 0.779 -2.323 4.912) 5.489 17.607 ( 2.745 4.055 -2.299) 5.410 17.713 ( 2.734 -0.772 -1.248) 3.103 18.033 ( -1.174 2.390 -4.939) 5.611 18.189 ( 0.598 -4.022 -3.157) 5.148 18.257 ( -8.338 1.837 -2.566) 8.916 18.329 ( -7.284 -1.883 -0.449) 7.537 18.847 ( 3.316 1.803 3.113) 4.893 18.915 ( 4.282 -1.189 -0.432) 4.465 19.098 ( -1.833 1.700 2.586) 3.597 19.114 ( -0.880 0.711 1.416) 1.813 21.030 ( -0.013 4.836 0.994) 4.937 21.145 ( -1.056 3.497 -0.307) 3.666 21.156 ( 2.429 2.996 1.048) 3.997 21.313 ( 2.522 -1.285 -1.032) 3.013 21.360 ( -1.164 -1.912 -0.122) 2.242 21.404 ( -1.821 -2.777 0.094) 3.322 21.572 ( 1.429 0.706 -1.614) 2.268 21.599 ( 1.967 -0.466 -4.187) 4.649 26.824 ( -0.184 1.365 1.306) 1.898 26.857 ( 0.596 0.370 -0.764) 1.038 26.873 ( 0.049 -0.108 0.862) 0.870 26.908 ( 0.656 -1.188 -0.822) 1.586 27.663 ( -0.326 0.369 -0.196) 0.530 27.671 ( 0.001 0.089 0.008) 0.089 27.730 ( -0.756 -0.331 -0.299) 0.878 27.732 ( -0.714 -0.404 -0.109) 0.828 35.776 ( -1.265 3.924 6.691) 7.859 35.875 ( 3.052 3.688 -1.842) 5.129 35.945 ( -0.077 -3.078 6.868) 7.527 36.035 ( 2.669 -2.946 -0.799) 4.055 37.036 ( -2.121 -0.058 8.825) 9.077 37.077 ( -2.544 -1.882 5.374) 6.237 37.532 ( 5.799 2.041 -6.087) 8.651 37.596 ( -4.914 4.141 -0.457) 6.442 37.642 ( 7.310 -2.397 -3.334) 8.384 37.749 ( -9.688 -1.472 -2.138) 10.030 37.975 ( -8.680 0.650 -0.248) 8.707 38.051 ( -11.542 -2.495 -1.440) 11.896 38.494 ( 2.725 5.334 8.958) 10.776 38.964 ( 6.211 -15.458 -0.056) 16.659 39.727 ( -1.276 1.770 -10.020) 10.255 39.944 ( -1.983 -8.581 -4.253) 9.780 ======================= Grid point 141 (75/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 1.062 -5.212 -0.146) 5.321 1.844 ( 1.062 5.212 -0.146) 5.321 2.136 ( -3.197 -3.110 -3.175) 5.474 2.136 ( -3.197 3.110 -3.175) 5.475 2.243 ( 4.332 -6.528 1.818) 8.043 2.243 ( 4.332 6.528 1.818) 8.043 2.647 ( -2.572 -3.990 3.479) 5.886 2.647 ( -2.572 3.990 3.479) 5.886 2.695 ( 3.991 -7.078 1.188) 8.212 2.695 ( 3.991 7.078 1.188) 8.212 3.010 ( -0.368 -1.852 2.781) 3.361 3.010 ( -0.368 1.852 2.781) 3.361 3.747 ( -0.219 -7.474 -0.573) 7.499 3.747 ( -0.219 7.474 -0.573) 7.499 4.241 ( -5.093 -2.971 11.562) 12.979 4.241 ( -5.093 2.972 11.562) 12.979 4.470 ( 1.884 -5.766 2.132) 6.430 4.470 ( 1.884 5.766 2.132) 6.430 4.690 ( 1.941 -2.866 -2.790) 4.446 4.690 ( 1.941 2.866 -2.790) 4.446 4.812 ( 3.148 -6.855 -2.235) 7.867 4.812 ( 3.148 6.855 -2.235) 7.867 5.062 ( -2.035 -3.937 -0.509) 4.461 5.062 ( -2.035 3.937 -0.509) 4.461 5.327 ( 1.275 -1.936 2.925) 3.732 5.327 ( 1.275 1.936 2.925) 3.732 5.493 ( -0.113 -3.796 -1.345) 4.028 5.493 ( -0.113 3.796 -1.345) 4.028 5.745 ( 0.912 -3.752 3.435) 5.168 5.745 ( 0.912 3.752 3.435) 5.168 5.889 ( -5.286 -1.759 1.023) 5.665 5.889 ( -5.286 1.759 1.023) 5.665 6.309 ( -5.859 -6.390 -2.050) 8.909 6.309 ( -5.859 6.390 -2.050) 8.909 6.495 ( 4.165 -3.290 0.096) 5.309 6.495 ( 4.165 3.290 0.096) 5.309 7.086 ( 2.120 -4.206 3.011) 5.590 7.086 ( 2.120 4.206 3.011) 5.591 7.162 ( -7.017 -6.151 1.187) 9.407 7.162 ( -7.017 6.151 1.187) 9.407 7.437 ( 3.682 -3.164 2.456) 5.440 7.437 ( 3.682 3.164 2.456) 5.440 7.555 ( 5.651 -7.209 2.671) 9.542 7.555 ( 5.651 7.209 2.671) 9.542 7.734 ( 2.856 -2.676 0.599) 3.959 7.734 ( 2.856 2.676 0.599) 3.959 7.794 ( -11.703 -4.032 -2.913) 12.716 7.794 ( -11.703 4.032 -2.913) 12.716 8.111 ( -0.009 -2.690 2.887) 3.946 8.111 ( -0.009 2.690 2.887) 3.946 8.287 ( -1.918 -5.174 2.060) 5.890 8.287 ( -1.918 5.174 2.060) 5.890 8.420 ( 6.879 -4.684 -5.005) 9.712 8.420 ( 6.879 4.684 -5.005) 9.712 8.980 ( 1.355 -4.706 5.023) 7.015 8.980 ( 1.355 4.706 5.023) 7.015 9.264 ( -1.388 -7.191 -9.764) 12.205 9.264 ( -1.388 7.191 -9.764) 12.205 9.469 ( 2.342 -4.806 -7.249) 9.008 9.469 ( 2.342 4.806 -7.249) 9.008 9.532 ( 2.338 -6.990 5.080) 8.951 9.532 ( 2.338 6.990 5.080) 8.951 9.844 ( -3.909 -3.974 -6.932) 8.895 9.844 ( -3.909 3.974 -6.932) 8.895 10.098 ( 0.614 -6.341 -3.083) 7.077 10.098 ( 0.614 6.341 -3.083) 7.077 10.927 ( -0.192 -1.111 0.731) 1.343 10.927 ( -0.192 1.111 0.731) 1.343 11.470 ( 0.219 -2.466 0.102) 2.478 11.470 ( 0.219 2.466 0.102) 2.478 11.572 ( -1.185 -1.538 -3.152) 3.701 11.572 ( -1.185 1.538 -3.152) 3.701 12.457 ( -0.291 -3.123 1.142) 3.338 12.457 ( -0.291 3.123 1.142) 3.338 12.590 ( -2.066 -5.311 1.690) 5.943 12.590 ( -2.066 5.311 1.690) 5.943 12.832 ( 1.194 -5.948 -0.872) 6.129 12.832 ( 1.194 5.948 -0.872) 6.129 13.015 ( 2.181 -2.151 0.898) 3.193 13.015 ( 2.181 2.151 0.898) 3.193 14.293 ( 1.247 -2.500 1.553) 3.196 14.293 ( 1.247 2.500 1.553) 3.196 14.739 ( 2.302 -0.374 -2.904) 3.725 14.739 ( 2.302 0.374 -2.904) 3.725 14.954 ( -0.400 -0.299 4.652) 4.679 14.954 ( -0.400 0.299 4.652) 4.679 15.356 ( -3.472 -4.517 -2.569) 6.249 15.356 ( -3.472 4.517 -2.569) 6.249 15.529 ( 0.298 -0.850 2.014) 2.206 15.529 ( 0.298 0.850 2.014) 2.206 16.076 ( 0.566 -2.491 0.917) 2.714 16.076 ( 0.566 2.491 0.917) 2.714 16.418 ( 2.067 -1.435 1.988) 3.207 16.418 ( 2.067 1.435 1.988) 3.207 16.557 ( -6.631 -1.844 2.239) 7.237 16.557 ( -6.631 1.844 2.239) 7.237 16.786 ( -0.197 -1.787 -3.968) 4.356 16.786 ( -0.197 1.787 -3.968) 4.356 17.183 ( 0.067 -1.028 -0.347) 1.087 17.183 ( 0.067 1.028 -0.347) 1.087 17.516 ( 0.758 -1.964 4.363) 4.844 17.516 ( 0.758 1.964 4.363) 4.844 17.716 ( 3.520 -3.723 -2.576) 5.735 17.716 ( 3.520 3.723 -2.576) 5.735 18.067 ( 0.781 -1.620 -5.038) 5.350 18.067 ( 0.781 1.620 -5.038) 5.350 18.196 ( 0.017 -1.255 -0.154) 1.265 18.196 ( 0.017 1.255 -0.154) 1.265 18.936 ( -0.845 -1.432 2.567) 3.058 18.936 ( -0.845 1.432 2.567) 3.058 19.106 ( -0.690 -0.481 0.920) 1.247 19.106 ( -0.690 0.481 0.920) 1.247 21.122 ( -0.058 -2.527 0.397) 2.558 21.122 ( -0.058 2.527 0.397) 2.558 21.294 ( -0.859 -4.605 1.631) 4.961 21.294 ( -0.859 4.605 1.631) 4.961 21.341 ( 1.466 -0.721 -0.481) 1.703 21.341 ( 1.466 0.721 -0.481) 1.703 21.559 ( -0.380 -0.316 -3.626) 3.660 21.559 ( -0.380 0.316 -3.626) 3.660 26.846 ( -0.812 -0.872 0.887) 1.485 26.846 ( -0.812 0.872 0.887) 1.485 26.897 ( 1.007 -0.808 -0.644) 1.443 26.897 ( 1.007 0.808 -0.644) 1.443 27.669 ( 0.090 -0.386 0.082) 0.404 27.669 ( 0.090 0.386 0.082) 0.404 27.717 ( 0.037 -0.299 -0.354) 0.465 27.717 ( 0.037 0.299 -0.354) 0.465 35.892 ( -2.944 -5.268 6.109) 8.587 35.892 ( -2.944 5.268 6.109) 8.587 36.025 ( 4.798 -4.643 -1.049) 6.759 36.025 ( 4.798 4.643 -1.049) 6.759 37.114 ( 0.772 -1.087 9.926) 10.016 37.114 ( 0.772 1.087 9.926) 10.016 37.477 ( -5.089 -2.507 -6.945) 8.967 37.477 ( -5.089 2.507 -6.945) 8.967 37.691 ( 3.032 -3.464 -1.144) 4.743 37.691 ( 3.032 3.464 -1.144) 4.743 37.878 ( -1.270 -0.292 -0.913) 1.591 37.878 ( -1.270 0.292 -0.913) 1.591 38.794 ( 1.606 -10.479 4.620) 11.564 38.794 ( 1.606 10.479 4.620) 11.564 39.713 ( -1.030 -3.431 -7.719) 8.510 39.713 ( -1.030 3.431 -7.719) 8.510 ======================= Grid point 143 (76/100) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -0.898 -2.166 1.025) 2.559 1.864 ( -0.898 2.166 1.025) 2.559 1.989 ( -4.213 -5.437 -2.499) 7.319 1.989 ( -4.213 5.437 -2.499) 7.319 2.408 ( 6.558 -8.061 1.489) 10.498 2.408 ( 6.558 8.061 1.489) 10.498 2.524 ( -6.009 -1.983 -2.587) 6.836 2.524 ( -6.009 1.983 -2.587) 6.836 2.829 ( 4.406 -3.879 1.419) 6.039 2.829 ( 4.406 3.879 1.419) 6.039 3.062 ( 3.235 -2.135 1.645) 4.211 3.062 ( 3.235 2.135 1.645) 4.211 3.706 ( -2.354 -3.849 -0.238) 4.518 3.706 ( -2.354 3.849 -0.238) 4.518 4.246 ( -7.594 -2.958 8.122) 11.506 4.246 ( -7.594 2.958 8.122) 11.506 4.488 ( -2.581 -9.642 1.415) 10.081 4.488 ( -2.581 9.642 1.415) 10.081 4.678 ( 2.274 -4.595 -0.979) 5.219 4.678 ( 2.274 4.595 -0.979) 5.219 4.853 ( 7.925 -5.432 -4.382) 10.560 4.853 ( 7.925 5.432 -4.382) 10.560 5.132 ( 6.184 -5.497 -2.382) 8.610 5.132 ( 6.184 5.497 -2.382) 8.610 5.374 ( -1.623 -2.985 4.250) 5.441 5.374 ( -1.623 2.985 4.250) 5.441 5.485 ( 0.969 -2.159 -5.122) 5.643 5.485 ( 0.969 2.159 -5.122) 5.643 5.750 ( -0.888 -1.421 4.268) 4.585 5.750 ( -0.888 1.421 4.268) 4.585 5.951 ( 8.736 -1.371 1.573) 8.981 5.951 ( 8.736 1.371 1.573) 8.981 6.246 ( -0.700 -5.109 4.896) 7.110 6.246 ( -0.700 5.109 4.896) 7.111 6.594 ( 5.743 -5.394 -0.717) 7.911 6.594 ( 5.743 5.394 -0.717) 7.911 6.997 ( -6.693 -5.523 -0.445) 8.689 6.997 ( -6.693 5.523 -0.445) 8.689 7.155 ( -3.807 -10.674 5.207) 12.472 7.155 ( -3.807 10.674 5.207) 12.472 7.382 ( -8.390 -6.074 -4.653) 11.355 7.382 ( -8.390 6.074 -4.653) 11.355 7.611 ( 2.435 -2.849 3.360) 5.033 7.611 ( 2.435 2.849 3.360) 5.033 7.728 ( 2.339 -2.849 3.386) 5.005 7.728 ( 2.339 2.849 3.386) 5.005 7.865 ( 6.769 -7.799 1.376) 10.418 7.865 ( 6.769 7.799 1.376) 10.418 8.135 ( -1.587 -4.414 0.730) 4.747 8.135 ( -1.587 4.414 0.730) 4.747 8.299 ( 3.760 -7.209 -0.043) 8.131 8.299 ( 3.760 7.209 -0.043) 8.131 8.476 ( 4.806 -5.179 -5.809) 9.146 8.476 ( 4.806 5.179 -5.809) 9.146 8.985 ( -4.482 -2.602 2.091) 5.589 8.985 ( -4.482 2.602 2.091) 5.589 9.131 ( -3.993 -5.981 -5.259) 8.909 9.131 ( -3.993 5.981 -5.259) 8.909 9.372 ( -2.715 -4.588 -6.977) 8.781 9.372 ( -2.715 4.588 -6.977) 8.781 9.578 ( -5.860 -2.806 3.103) 7.200 9.578 ( -5.860 2.806 3.103) 7.200 9.748 ( 0.576 -9.338 -1.608) 9.493 9.748 ( 0.576 9.338 -1.608) 9.493 10.030 ( -3.913 -3.272 -1.668) 5.366 10.030 ( -3.913 3.272 -1.668) 5.366 10.947 ( 1.509 -2.944 0.714) 3.385 10.947 ( 1.509 2.944 0.714) 3.385 11.466 ( -0.996 -4.066 0.062) 4.186 11.466 ( -0.996 4.066 0.062) 4.186 11.541 ( 0.417 -2.358 -0.633) 2.477 11.541 ( 0.417 2.358 -0.633) 2.477 12.479 ( 1.175 -3.434 0.915) 3.743 12.479 ( 1.175 3.434 0.915) 3.743 12.583 ( -0.697 -4.698 2.627) 5.428 12.583 ( -0.697 4.698 2.627) 5.428 12.825 ( -0.391 -5.528 -2.199) 5.962 12.825 ( -0.391 5.528 -2.199) 5.962 13.075 ( 3.821 -3.670 -1.262) 5.446 13.075 ( 3.821 3.670 -1.262) 5.446 14.333 ( 2.162 -0.974 -0.478) 2.419 14.333 ( 2.162 0.974 -0.478) 2.419 14.686 ( -3.479 -4.923 -3.275) 6.861 14.686 ( -3.479 4.923 -3.275) 6.861 15.021 ( 1.957 -2.423 3.134) 4.419 15.021 ( 1.957 2.423 3.134) 4.419 15.279 ( -3.452 -2.705 1.852) 4.760 15.279 ( -3.452 2.705 1.852) 4.760 15.541 ( -1.021 -1.680 1.634) 2.556 15.541 ( -1.021 1.680 1.634) 2.556 16.027 ( -4.426 -3.772 -1.747) 6.072 16.027 ( -4.426 3.772 -1.747) 6.072 16.411 ( -2.207 -1.558 -1.002) 2.881 16.411 ( -2.207 1.558 -1.002) 2.881 16.543 ( -0.750 -1.726 5.002) 5.344 16.543 ( -0.750 1.726 5.002) 5.344 16.781 ( 1.973 -0.756 -0.119) 2.116 16.781 ( 1.973 0.756 -0.119) 2.116 17.190 ( 0.815 -1.509 -0.363) 1.753 17.190 ( 0.815 1.509 -0.363) 1.753 17.515 ( -3.004 -1.957 2.237) 4.226 17.515 ( -3.004 1.957 2.237) 4.226 17.740 ( 0.965 -3.639 -2.375) 4.451 17.740 ( 0.965 3.639 -2.375) 4.451 18.073 ( 5.715 -3.951 -4.815) 8.453 18.073 ( 5.715 3.951 -4.815) 8.453 18.277 ( 7.032 -2.601 -0.284) 7.503 18.277 ( 7.032 2.601 -0.284) 7.503 18.895 ( -5.201 -1.371 1.242) 5.520 18.895 ( -5.201 1.371 1.242) 5.520 19.118 ( 0.299 -0.986 1.787) 2.063 19.118 ( 0.299 0.986 1.787) 2.063 21.121 ( -0.461 -1.066 0.347) 1.212 21.121 ( -0.461 1.066 0.347) 1.212 21.272 ( -2.023 -4.241 0.387) 4.714 21.272 ( -2.023 4.241 0.387) 4.714 21.374 ( 1.922 -1.297 -0.527) 2.378 21.374 ( 1.922 1.297 -0.527) 2.378 21.524 ( -0.438 -0.478 -1.313) 1.464 21.524 ( -0.438 0.478 -1.313) 1.464 26.835 ( -1.197 -1.074 0.918) 1.852 26.835 ( -1.197 1.074 0.918) 1.852 26.907 ( 0.844 -0.700 -0.976) 1.468 26.907 ( 0.844 0.700 -0.976) 1.468 27.674 ( 0.457 -0.386 -0.047) 0.600 27.674 ( 0.457 0.386 -0.047) 0.600 27.722 ( 0.674 -0.519 -0.203) 0.874 27.722 ( 0.674 0.519 -0.203) 0.874 35.869 ( -4.088 -5.349 3.411) 7.547 35.869 ( -4.088 5.349 3.411) 7.547 36.095 ( 3.891 -4.929 -2.831) 6.889 36.095 ( 3.891 4.929 -2.831) 6.889 37.204 ( -3.338 -1.984 9.578) 10.335 37.204 ( -3.338 1.984 9.578) 10.335 37.358 ( -0.075 -1.948 -6.554) 6.838 37.358 ( -0.075 1.948 -6.554) 6.838 37.726 ( 4.966 -2.620 -1.019) 5.706 37.726 ( 4.966 2.620 -1.019) 5.706 37.958 ( 7.495 -1.118 0.674) 7.608 37.958 ( 7.495 1.118 0.674) 7.608 38.803 ( -3.986 -7.796 1.005) 8.813 38.803 ( -3.986 7.796 1.005) 8.813 39.651 ( 0.771 -4.411 -2.899) 5.334 39.651 ( 0.771 4.411 -2.899) 5.334 ======================= Grid point 145 (77/100) ======================= q-point: ( 0.33 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -3.829 -3.592 1.814) 5.555 1.810 ( -3.829 3.592 1.814) 5.555 1.978 ( 2.643 -3.492 -1.674) 4.688 1.978 ( 2.643 3.492 -1.674) 4.688 2.328 ( -6.432 -1.638 -4.377) 7.951 2.328 ( -6.432 1.638 -4.377) 7.951 2.531 ( 2.008 -1.763 -1.041) 2.868 2.531 ( 2.008 1.763 -1.041) 2.868 2.916 ( 3.093 -2.459 3.459) 5.251 2.916 ( 3.093 2.459 3.459) 5.251 3.123 ( 2.049 -2.275 -1.248) 3.307 3.123 ( 2.049 2.275 -1.248) 3.307 3.687 ( 1.124 -6.513 -0.466) 6.626 3.687 ( 1.124 6.513 -0.466) 6.626 4.119 ( -9.934 -1.453 2.190) 10.276 4.119 ( -9.934 1.453 2.190) 10.276 4.423 ( -3.389 -5.032 0.793) 6.118 4.423 ( -3.389 5.032 0.793) 6.118 4.745 ( 2.684 -6.088 -1.555) 6.833 4.745 ( 2.684 6.088 -1.555) 6.833 5.002 ( 8.374 -6.169 -1.672) 10.534 5.002 ( 8.374 6.169 -1.672) 10.534 5.193 ( 3.464 -6.801 -1.391) 7.758 5.193 ( 3.464 6.801 -1.391) 7.758 5.337 ( 0.447 -6.328 -2.654) 6.877 5.337 ( 0.447 6.328 -2.654) 6.877 5.462 ( -1.935 -1.834 1.085) 2.878 5.462 ( -1.935 1.834 1.085) 2.878 5.827 ( 4.416 -4.116 1.068) 6.130 5.827 ( 4.416 4.116 1.068) 6.130 6.133 ( 6.176 -4.336 4.101) 8.588 6.133 ( 6.176 4.336 4.101) 8.588 6.371 ( 3.691 -2.083 7.596) 8.698 6.371 ( 3.691 2.083 7.596) 8.698 6.664 ( -0.190 -6.118 3.137) 6.878 6.664 ( -0.190 6.118 3.137) 6.878 6.888 ( -1.455 -2.477 0.541) 2.924 6.888 ( -1.455 2.477 0.541) 2.924 7.066 ( -3.281 -2.245 -2.508) 4.701 7.066 ( -3.281 2.245 -2.508) 4.701 7.274 ( -2.381 -4.194 -1.380) 5.016 7.274 ( -2.381 4.194 -1.380) 5.016 7.661 ( -5.018 -3.657 6.786) 9.198 7.661 ( -5.018 3.657 6.786) 9.198 7.802 ( 3.750 -6.428 -2.480) 7.844 7.802 ( 3.750 6.428 -2.480) 7.844 7.878 ( -7.228 -4.821 -1.431) 8.805 7.878 ( -7.228 4.821 -1.431) 8.805 8.096 ( 2.762 -5.146 -0.134) 5.842 8.096 ( 2.762 5.146 -0.134) 5.842 8.351 ( 0.716 -2.934 -6.466) 7.136 8.351 ( 0.716 2.934 -6.466) 7.136 8.579 ( 12.691 -2.210 -0.364) 12.887 8.579 ( 12.691 2.210 -0.364) 12.887 8.900 ( -6.941 -4.864 -3.333) 9.107 8.900 ( -6.941 4.864 -3.333) 9.107 9.025 ( -1.306 -1.947 0.574) 2.414 9.025 ( -1.306 1.947 0.574) 2.414 9.303 ( -1.437 -4.695 -0.225) 4.915 9.303 ( -1.437 4.695 -0.225) 4.915 9.428 ( -7.438 -8.637 -1.359) 11.479 9.428 ( -7.438 8.637 -1.359) 11.479 9.778 ( 0.139 -6.474 4.579) 7.931 9.778 ( 0.139 6.474 4.579) 7.931 9.969 ( -1.508 -3.484 -0.711) 3.863 9.969 ( -1.508 3.484 -0.711) 3.863 10.984 ( 1.524 -2.674 0.246) 3.088 10.984 ( 1.524 2.674 0.246) 3.088 11.454 ( -0.568 -4.529 1.450) 4.789 11.454 ( -0.568 4.529 1.450) 4.789 11.562 ( 1.436 -2.812 0.287) 3.170 11.562 ( 1.436 2.812 0.287) 3.170 12.495 ( -0.454 -3.695 0.748) 3.797 12.495 ( -0.454 3.695 0.748) 3.797 12.619 ( 1.108 -2.512 2.908) 3.999 12.619 ( 1.108 2.512 2.908) 3.999 12.786 ( -0.529 -4.241 -3.198) 5.338 12.786 ( -0.529 4.241 -3.198) 5.338 13.102 ( 1.364 -4.067 -4.149) 5.967 13.102 ( 1.364 4.067 -4.149) 5.967 14.368 ( 2.485 -1.811 -1.055) 3.251 14.368 ( 2.485 1.811 -1.055) 3.251 14.583 ( -3.789 -4.469 -2.867) 6.522 14.583 ( -3.789 4.469 -2.867) 6.522 15.059 ( 1.024 -2.381 -0.957) 2.763 15.059 ( 1.025 2.381 -0.957) 2.763 15.271 ( -3.260 -3.906 8.570) 9.966 15.271 ( -3.260 3.906 8.570) 9.966 15.531 ( -1.468 -2.875 2.051) 3.824 15.531 ( -1.468 2.875 2.051) 3.824 15.930 ( -0.980 -3.933 -6.031) 7.267 15.930 ( -0.980 3.933 -6.031) 7.267 16.378 ( -0.980 -1.111 -0.072) 1.483 16.378 ( -0.980 1.111 -0.072) 1.483 16.520 ( -3.677 -1.606 0.901) 4.112 16.520 ( -3.677 1.606 0.901) 4.112 16.865 ( 2.983 -1.674 5.806) 6.739 16.865 ( 2.983 1.674 5.806) 6.739 17.201 ( 0.406 -2.214 0.049) 2.251 17.201 ( 0.406 2.214 0.049) 2.251 17.489 ( -1.597 -3.061 1.415) 3.731 17.489 ( -1.597 3.061 1.415) 3.731 17.710 ( -0.773 -3.905 -3.221) 5.121 17.710 ( -0.773 3.905 -3.221) 5.121 18.160 ( 6.806 -1.734 -3.624) 7.903 18.160 ( 6.806 1.734 -3.624) 7.903 18.414 ( 7.488 -0.572 -0.286) 7.516 18.414 ( 7.488 0.572 -0.286) 7.516 18.785 ( -6.405 -0.561 -0.709) 6.469 18.785 ( -6.405 0.561 -0.709) 6.469 19.138 ( -0.572 -0.928 2.457) 2.688 19.138 ( -0.572 0.928 2.457) 2.688 21.113 ( -0.735 -1.773 0.506) 1.985 21.113 ( -0.735 1.773 0.506) 1.985 21.236 ( -1.261 -4.626 -1.002) 4.899 21.236 ( -1.261 4.626 -1.002) 4.899 21.403 ( 1.758 -2.429 -0.482) 3.037 21.403 ( 1.758 2.429 -0.482) 3.037 21.516 ( -0.358 -0.602 0.766) 1.037 21.516 ( -0.358 0.602 0.766) 1.037 26.824 ( -0.894 -1.413 1.097) 2.000 26.824 ( -0.894 1.413 1.097) 2.000 26.908 ( 0.397 -0.737 -1.381) 1.615 26.908 ( 0.397 0.737 -1.381) 1.615 27.682 ( 0.454 -0.434 -0.320) 0.705 27.682 ( 0.454 0.434 -0.320) 0.705 27.734 ( 0.665 -0.403 0.028) 0.778 27.734 ( 0.665 0.403 0.028) 0.778 35.822 ( -3.541 -4.852 2.383) 6.462 35.822 ( -3.541 4.852 2.383) 6.462 36.097 ( 0.997 -4.535 -6.362) 7.876 36.097 ( 0.997 4.535 -6.362) 7.876 37.191 ( -5.090 -1.388 6.529) 8.394 37.191 ( -5.090 1.388 6.529) 8.394 37.327 ( 2.485 -1.179 -4.660) 5.411 37.327 ( 2.485 1.179 -4.660) 5.411 37.867 ( 7.477 -3.819 1.300) 8.496 37.867 ( 7.477 3.819 1.300) 8.496 38.116 ( 7.535 -0.855 2.223) 7.903 38.116 ( 7.535 0.855 2.223) 7.903 38.673 ( -7.795 -9.398 -3.546) 12.715 38.673 ( -7.795 9.398 -3.546) 12.715 39.689 ( 2.956 -8.476 2.205) 9.243 39.689 ( 2.956 8.476 2.205) 9.243 ======================= Grid point 147 (78/100) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 0.160 -1.971 2.381) 3.095 1.797 ( 0.160 1.971 2.381) 3.095 2.005 ( 1.128 -2.481 -0.387) 2.752 2.005 ( 1.128 2.481 -0.387) 2.752 2.188 ( -3.219 -2.163 -5.210) 6.495 2.188 ( -3.219 2.163 -5.210) 6.495 2.541 ( 1.394 -1.294 -1.491) 2.417 2.541 ( 1.394 1.294 -1.491) 2.417 2.990 ( -0.059 -4.397 4.358) 6.191 2.990 ( -0.059 4.397 4.358) 6.191 3.097 ( -2.831 -2.918 -1.916) 4.494 3.097 ( -2.831 2.918 -1.916) 4.494 3.735 ( 3.012 -2.273 -0.728) 3.843 3.735 ( 3.012 2.273 -0.728) 3.843 3.967 ( -6.650 -1.429 2.674) 7.308 3.967 ( -6.650 1.429 2.674) 7.308 4.392 ( -0.900 -2.516 1.305) 2.973 4.392 ( -0.900 2.516 1.305) 2.973 4.755 ( 1.852 -5.283 -3.992) 6.875 4.755 ( 1.852 5.283 -3.992) 6.875 5.049 ( -1.199 -7.381 -1.805) 7.693 5.049 ( -1.199 7.381 -1.805) 7.693 5.218 ( -0.721 -3.667 0.549) 3.777 5.218 ( -0.721 3.667 0.549) 3.778 5.352 ( -3.080 -5.182 0.056) 6.029 5.352 ( -3.080 5.182 0.056) 6.029 5.480 ( 7.193 -2.339 -1.267) 7.669 5.480 ( 7.193 2.339 -1.267) 7.669 5.877 ( -2.412 -2.662 2.988) 4.672 5.877 ( -2.412 2.662 2.988) 4.672 6.130 ( -5.317 -6.824 -3.158) 9.210 6.130 ( -5.317 6.824 -3.158) 9.210 6.503 ( 5.495 -1.434 11.091) 12.460 6.503 ( 5.495 1.434 11.091) 12.460 6.769 ( -2.093 -4.957 9.156) 10.620 6.769 ( -2.093 4.957 9.156) 10.620 6.892 ( -0.654 -1.752 0.670) 1.987 6.892 ( -0.654 1.752 0.670) 1.987 7.058 ( 0.735 -4.139 0.232) 4.210 7.058 ( 0.735 4.139 0.232) 4.210 7.210 ( 3.791 -5.315 -5.231) 8.365 7.210 ( 3.791 5.315 -5.231) 8.365 7.506 ( -10.578 -3.062 -9.129) 14.304 7.506 ( -10.578 3.062 -9.129) 14.304 7.698 ( -4.861 -3.197 7.594) 9.567 7.698 ( -4.861 3.197 7.594) 9.567 7.850 ( -1.312 -2.448 2.001) 3.423 7.850 ( -1.312 2.448 2.001) 3.423 8.214 ( 7.669 -8.779 -8.449) 14.397 8.214 ( 7.669 8.779 -8.449) 14.397 8.335 ( 5.219 -2.584 0.402) 5.837 8.335 ( 5.219 2.584 0.402) 5.837 8.670 ( -6.695 -1.196 -6.460) 9.380 8.670 ( -6.695 1.196 -6.460) 9.380 8.814 ( 1.811 -4.506 2.100) 5.291 8.814 ( 1.811 4.506 2.100) 5.291 9.021 ( 2.589 -1.827 -1.180) 3.381 9.021 ( 2.589 1.827 -1.180) 3.381 9.261 ( -2.902 -6.151 3.973) 7.876 9.261 ( -2.902 6.151 3.973) 7.876 9.422 ( 6.096 -6.495 -1.190) 8.987 9.422 ( 6.096 6.495 -1.190) 8.987 9.842 ( 2.809 -4.664 2.828) 6.135 9.842 ( 2.809 4.664 2.828) 6.135 9.952 ( 0.550 -3.038 -0.525) 3.132 9.952 ( 0.550 3.038 -0.525) 3.132 10.994 ( -0.337 -1.931 -0.899) 2.156 10.994 ( -0.337 1.931 -0.899) 2.156 11.468 ( 0.088 -3.677 1.529) 3.983 11.468 ( 0.088 3.677 1.529) 3.983 11.594 ( 1.499 -2.755 0.806) 3.238 11.594 ( 1.499 2.755 0.806) 3.238 12.486 ( -1.164 -1.966 0.977) 2.485 12.486 ( -1.164 1.966 0.977) 2.485 12.650 ( -0.201 -1.129 1.041) 1.549 12.650 ( -0.201 1.129 1.041) 1.549 12.762 ( 0.634 -1.865 -1.271) 2.345 12.762 ( 0.634 1.865 -1.271) 2.345 13.055 ( -1.017 -1.450 -4.879) 5.191 13.055 ( -1.017 1.450 -4.879) 5.191 14.388 ( -0.972 -2.714 0.012) 2.883 14.388 ( -0.972 2.714 0.012) 2.883 14.520 ( 1.415 -1.813 -3.168) 3.915 14.520 ( 1.415 1.813 -3.168) 3.915 15.041 ( -2.297 -3.005 -0.062) 3.782 15.041 ( -2.297 3.005 -0.062) 3.782 15.315 ( -1.264 -2.740 8.737) 9.243 15.315 ( -1.264 2.740 8.737) 9.243 15.533 ( -0.864 -2.685 2.464) 3.745 15.533 ( -0.864 2.685 2.464) 3.745 15.887 ( 4.031 -4.286 -8.659) 10.469 15.887 ( 4.031 4.286 -8.659) 10.469 16.364 ( -1.014 -0.903 0.968) 1.667 16.364 ( -1.014 0.903 0.968) 1.667 16.485 ( 0.576 -1.378 -0.160) 1.503 16.485 ( 0.576 1.378 -0.160) 1.503 16.974 ( 1.364 -2.255 7.780) 8.214 16.974 ( 1.364 2.255 7.780) 8.214 17.193 ( -0.582 -3.226 -2.229) 3.963 17.193 ( -0.582 3.226 -2.229) 3.963 17.464 ( -3.763 -3.258 3.132) 5.881 17.464 ( -3.763 3.258 3.132) 5.881 17.667 ( 0.419 -2.240 -4.261) 4.832 17.667 ( 0.419 2.240 -4.261) 4.832 18.217 ( 1.770 -0.374 -2.563) 3.138 18.217 ( 1.770 0.374 -2.563) 3.138 18.526 ( 1.217 -0.962 1.471) 2.138 18.526 ( 1.217 0.962 1.471) 2.138 18.680 ( 0.420 -1.326 -3.569) 3.831 18.680 ( 0.420 1.326 -3.569) 3.831 19.142 ( -1.752 -0.481 2.824) 3.358 19.142 ( -1.752 0.481 2.824) 3.358 21.107 ( -0.484 -2.151 0.737) 2.325 21.107 ( -0.484 2.151 0.737) 2.325 21.214 ( 0.292 -4.056 -1.394) 4.298 21.214 ( 0.292 4.056 -1.394) 4.298 21.418 ( -0.375 -0.998 0.101) 1.071 21.418 ( -0.375 0.998 0.101) 1.071 21.529 ( 1.475 -0.327 0.345) 1.549 21.529 ( 1.475 0.327 0.345) 1.549 26.825 ( -0.226 -1.526 1.309) 2.023 26.825 ( -0.226 1.526 1.309) 2.023 26.897 ( 0.078 -0.936 -1.557) 1.818 26.897 ( 0.078 0.936 -1.557) 1.818 27.683 ( -0.021 -0.476 -0.374) 0.606 27.683 ( -0.021 0.476 -0.374) 0.606 27.743 ( 0.166 -0.054 0.054) 0.182 27.743 ( 0.166 0.054 0.054) 0.182 35.793 ( -2.257 -4.141 3.261) 5.734 35.793 ( -2.257 4.141 3.261) 5.734 36.030 ( -0.406 -3.892 -7.096) 8.104 36.030 ( -0.406 3.892 -7.096) 8.104 37.141 ( -6.798 -1.305 6.224) 9.309 37.141 ( -6.798 1.305 6.224) 9.309 37.377 ( 7.481 -0.927 -5.053) 9.075 37.377 ( 7.481 0.927 -5.053) 9.075 37.945 ( -1.884 -5.554 2.239) 6.277 37.945 ( -1.884 5.554 2.239) 6.277 38.277 ( 4.730 -4.802 4.392) 8.045 38.277 ( 4.730 4.802 4.392) 8.045 38.487 ( -5.269 -10.004 -5.747) 12.684 38.487 ( -5.269 10.004 -5.747) 12.684 39.774 ( 3.364 -5.173 1.840) 6.439 39.774 ( 3.364 5.173 1.840) 6.439 ======================= Grid point 149 (79/100) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 1.838 -4.526 -1.098) 5.007 1.832 ( 1.838 4.526 -1.098) 5.007 2.043 ( 0.462 -2.377 6.151) 6.611 2.043 ( 0.462 2.377 6.151) 6.611 2.114 ( 1.642 -2.069 -5.259) 5.885 2.114 ( 1.642 2.069 -5.259) 5.885 2.565 ( 3.049 -1.140 -2.747) 4.259 2.565 ( 3.049 1.140 -2.747) 4.259 2.954 ( -9.398 -6.653 3.714) 12.098 2.954 ( -9.398 6.653 3.714) 12.098 3.026 ( -2.496 -2.631 0.862) 3.727 3.026 ( -2.496 2.631 0.862) 3.727 3.716 ( -0.309 -7.094 -3.817) 8.061 3.716 ( -0.309 7.094 -3.817) 8.061 4.020 ( 4.209 -1.741 10.309) 11.271 4.020 ( 4.209 1.741 10.309) 11.271 4.414 ( 1.280 -2.954 0.900) 3.343 4.414 ( 1.280 2.954 0.900) 3.343 4.713 ( -2.803 -4.394 -4.757) 7.056 4.713 ( -2.803 4.394 -4.757) 7.056 4.919 ( -8.397 -3.727 -0.758) 9.218 4.919 ( -8.397 3.727 -0.758) 9.218 5.215 ( -2.522 -9.072 5.591) 10.951 5.215 ( -2.522 9.072 5.591) 10.951 5.309 ( 1.741 -2.018 -5.180) 5.825 5.309 ( 1.741 2.018 -5.180) 5.825 5.563 ( 1.052 -5.116 -1.100) 5.337 5.563 ( 1.052 5.116 -1.100) 5.337 5.806 ( -5.374 -5.937 2.703) 8.452 5.806 ( -5.374 5.937 2.703) 8.452 6.058 ( -4.564 -5.022 3.724) 7.741 6.058 ( -4.564 5.022 3.724) 7.741 6.583 ( -12.413 -5.726 -0.150) 13.671 6.583 ( -12.413 5.726 -0.150) 13.671 6.728 ( 2.924 -2.401 6.453) 7.481 6.728 ( 2.924 2.401 6.453) 7.481 6.842 ( -6.196 -2.961 0.498) 6.885 6.842 ( -6.196 2.961 0.498) 6.885 7.056 ( 1.462 -6.152 -5.118) 8.135 7.056 ( 1.462 6.152 -5.118) 8.135 7.305 ( 7.303 -2.685 5.172) 9.343 7.305 ( 7.303 2.685 5.172) 9.343 7.448 ( 8.298 -6.714 -4.175) 11.462 7.448 ( 8.298 6.714 -4.175) 11.462 7.657 ( -8.645 -5.009 8.632) 13.204 7.657 ( -8.645 5.009 8.632) 13.204 7.884 ( 2.963 -1.079 2.441) 3.988 7.884 ( 2.963 1.079 2.441) 3.988 8.233 ( 3.381 -5.139 -4.373) 7.547 8.233 ( 3.381 5.139 -4.373) 7.547 8.350 ( -2.351 -4.397 -8.673) 10.004 8.350 ( -2.351 4.397 -8.673) 10.004 8.584 ( -6.511 -5.024 -1.633) 8.385 8.584 ( -6.511 5.024 -1.633) 8.385 8.723 ( 0.029 -4.596 4.477) 6.416 8.723 ( 0.029 4.596 4.477) 6.416 9.194 ( 12.581 -1.852 -3.944) 13.314 9.194 ( 12.581 1.852 -3.944) 13.314 9.277 ( 1.581 -4.140 2.076) 4.894 9.277 ( 1.581 4.140 2.076) 4.894 9.508 ( 4.299 -9.398 -3.695) 10.975 9.508 ( 4.299 9.398 -3.695) 10.975 9.935 ( 5.970 -4.436 -2.619) 7.886 9.935 ( 5.970 4.436 -2.619) 7.886 9.980 ( 2.592 -1.471 0.382) 3.005 9.980 ( 2.592 1.471 0.382) 3.005 10.961 ( -1.970 -0.978 -0.364) 2.230 10.961 ( -1.970 0.978 -0.364) 2.230 11.474 ( -0.540 -1.981 0.540) 2.123 11.474 ( -0.540 1.981 0.540) 2.123 11.627 ( 1.545 -3.374 -0.942) 3.828 11.627 ( 1.545 3.374 -0.942) 3.828 12.473 ( -1.414 -1.379 1.458) 2.455 12.473 ( -1.414 1.379 1.458) 2.455 12.643 ( -0.909 -3.312 0.413) 3.460 12.643 ( -0.909 3.312 0.413) 3.460 12.780 ( 1.428 -1.572 0.210) 2.134 12.780 ( 1.428 1.572 0.210) 2.134 12.995 ( -1.340 -1.494 -2.024) 2.850 12.995 ( -1.340 1.494 -2.024) 2.850 14.335 ( -3.644 -3.508 0.083) 5.059 14.335 ( -3.644 3.508 0.083) 5.059 14.571 ( 5.456 -6.220 -1.777) 8.463 14.571 ( 5.456 6.220 -1.777) 8.463 14.990 ( -2.798 -2.912 0.565) 4.078 14.990 ( -2.798 2.912 0.565) 4.078 15.375 ( -1.227 -3.809 8.034) 8.975 15.375 ( -1.227 3.809 8.034) 8.975 15.533 ( -0.267 -2.245 -0.714) 2.371 15.533 ( -0.267 2.245 -0.714) 2.371 15.915 ( 6.574 -4.611 -6.148) 10.113 15.915 ( 6.574 4.611 -6.148) 10.113 16.362 ( -0.026 -0.476 0.757) 0.895 16.362 ( -0.026 0.476 0.757) 0.895 16.536 ( 4.114 -1.754 0.208) 4.477 16.536 ( 4.114 1.754 0.208) 4.477 17.030 ( -4.033 -3.848 3.371) 6.515 17.030 ( -4.033 3.848 3.371) 6.515 17.157 ( 1.006 -2.760 -0.984) 3.098 17.157 ( 1.006 2.760 -0.984) 3.098 17.418 ( -4.515 -2.141 4.532) 6.746 17.418 ( -4.515 2.141 4.532) 6.746 17.652 ( 2.029 -2.228 -3.285) 4.458 17.652 ( 2.029 2.228 -3.285) 4.458 18.175 ( -2.434 -2.367 -3.357) 4.775 18.175 ( -2.434 2.367 -3.357) 4.775 18.444 ( -6.860 -1.185 -1.016) 7.035 18.444 ( -6.860 1.185 -1.016) 7.035 18.770 ( 7.371 -1.984 -0.506) 7.650 18.770 ( 7.371 1.984 -0.506) 7.650 19.132 ( -2.101 -0.329 2.769) 3.492 19.132 ( -2.101 0.329 2.769) 3.492 21.109 ( -0.054 -3.052 0.733) 3.139 21.109 ( -0.054 3.052 0.733) 3.139 21.222 ( 1.697 -3.875 -0.733) 4.293 21.222 ( 1.697 3.875 -0.733) 4.293 21.393 ( -2.118 -1.066 0.127) 2.374 21.393 ( -2.118 1.066 0.127) 2.374 21.569 ( 2.633 -0.928 -1.197) 3.038 21.569 ( 2.633 0.928 -1.197) 3.038 26.838 ( 0.110 -1.336 1.226) 1.817 26.838 ( 0.110 1.336 1.226) 1.817 26.885 ( 0.211 -1.129 -1.216) 1.673 26.885 ( 0.211 1.129 -1.216) 1.673 27.676 ( -0.344 -0.242 -0.165) 0.452 27.676 ( -0.344 0.242 -0.165) 0.452 27.740 ( -0.453 -0.099 -0.144) 0.486 27.740 ( -0.453 0.099 -0.144) 0.486 35.805 ( -1.022 -3.584 5.539) 6.677 35.805 ( -1.022 3.584 5.539) 6.677 35.970 ( 0.611 -3.465 -4.708) 5.878 35.970 ( 0.611 3.465 -4.708) 5.878 37.074 ( -5.942 -1.445 5.553) 8.261 37.074 ( -5.942 1.445 5.553) 8.261 37.483 ( 8.603 -1.653 -5.218) 10.196 37.483 ( 8.603 1.653 -5.218) 10.196 37.854 ( -8.850 -6.604 1.661) 11.167 37.854 ( -8.850 6.604 1.661) 11.167 38.211 ( -10.659 -3.422 0.105) 11.195 38.211 ( -10.659 3.422 0.105) 11.195 38.523 ( 8.125 -12.814 0.636) 15.186 38.523 ( 8.125 12.814 0.636) 15.186 39.827 ( 2.105 -3.201 -2.371) 4.506 39.827 ( 2.105 3.201 -2.371) 4.506 ======================= Grid point 151 (80/100) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.933 -0.820 -2.011) 2.364 1.839 ( 0.933 0.820 -2.011) 2.364 2.080 ( 3.228 -3.740 -0.489) 4.965 2.080 ( 3.228 3.740 -0.489) 4.965 2.210 ( 4.214 -3.435 4.552) 7.091 2.210 ( 4.214 3.435 4.552) 7.091 2.582 ( 2.312 -3.650 -3.876) 5.804 2.582 ( 2.312 3.650 -3.876) 5.804 2.777 ( -10.799 -7.389 4.770) 13.927 2.777 ( -10.799 7.389 4.770) 13.927 3.008 ( -1.922 -0.897 3.032) 3.700 3.008 ( -1.922 0.897 3.032) 3.700 3.718 ( 2.627 -9.948 -0.968) 10.335 3.718 ( 2.627 9.948 -0.968) 10.335 4.221 ( 3.046 -0.673 9.073) 9.594 4.221 ( 3.046 0.673 9.073) 9.594 4.395 ( -1.819 -3.738 0.937) 4.262 4.395 ( -1.819 3.738 0.937) 4.262 4.661 ( 1.405 -5.631 1.902) 6.107 4.661 ( 1.405 5.631 1.902) 6.107 4.804 ( -5.089 -0.905 1.900) 5.507 4.804 ( -5.089 0.905 1.900) 5.507 5.179 ( -3.429 -0.927 -4.081) 5.410 5.179 ( -3.429 0.927 -4.081) 5.410 5.296 ( 0.873 -11.414 -1.154) 11.506 5.296 ( 0.873 11.414 -1.154) 11.506 5.539 ( -2.015 -7.496 -0.682) 7.792 5.539 ( -2.015 7.496 -0.682) 7.792 5.734 ( -3.707 -3.917 0.946) 5.476 5.734 ( -3.707 3.917 0.946) 5.476 5.990 ( -7.983 -9.543 7.070) 14.310 5.990 ( -7.983 9.543 7.070) 14.310 6.411 ( -4.831 -5.614 0.343) 7.415 6.411 ( -4.831 5.614 0.343) 7.415 6.561 ( -9.687 -3.541 -4.681) 11.327 6.561 ( -9.687 3.541 -4.681) 11.327 6.949 ( 7.861 -4.285 2.818) 9.386 6.949 ( 7.861 4.285 2.818) 9.386 7.158 ( 8.253 -2.243 0.496) 8.567 7.158 ( 8.253 2.243 0.496) 8.567 7.425 ( -3.006 -1.324 -3.112) 4.524 7.425 ( -3.006 1.324 -3.112) 4.524 7.478 ( -0.911 -10.237 8.280) 13.198 7.478 ( -0.911 10.237 8.280) 13.198 7.649 ( 2.509 -3.210 2.587) 4.826 7.649 ( 2.509 3.210 2.587) 4.826 7.959 ( -0.186 -2.165 2.043) 2.983 7.959 ( -0.186 2.165 2.043) 2.983 8.181 ( -8.763 -6.718 0.208) 11.044 8.181 ( -8.763 6.718 0.208) 11.044 8.290 ( 1.701 -8.080 -0.409) 8.267 8.290 ( 1.701 8.080 -0.409) 8.267 8.386 ( -1.329 -2.233 -8.025) 8.436 8.386 ( -1.329 2.233 -8.025) 8.436 8.868 ( 4.442 -4.565 6.340) 8.987 8.868 ( 4.442 4.565 6.340) 8.987 9.303 ( 6.190 -5.375 -7.017) 10.791 9.303 ( 6.190 5.375 -7.017) 10.791 9.387 ( 6.666 -3.082 -0.749) 7.383 9.387 ( 6.666 3.082 -0.749) 7.383 9.518 ( 2.290 -11.054 -5.240) 12.446 9.518 ( 2.290 11.054 -5.240) 12.446 9.946 ( -0.779 -3.630 -3.845) 5.344 9.946 ( -0.779 3.630 -3.845) 5.344 10.063 ( 5.943 -8.170 -3.494) 10.690 10.063 ( 5.943 8.170 -3.494) 10.690 10.933 ( -1.295 -0.256 1.040) 1.681 10.933 ( -1.295 0.256 1.040) 1.681 11.468 ( -0.333 -2.074 0.356) 2.131 11.468 ( -0.333 2.074 0.356) 2.131 11.620 ( 0.197 -3.299 -3.844) 5.070 11.620 ( 0.197 3.299 -3.844) 5.070 12.462 ( -1.439 -2.844 1.724) 3.624 12.462 ( -1.439 2.844 1.724) 3.624 12.621 ( -2.187 -4.210 0.839) 4.817 12.621 ( -2.187 4.210 0.839) 4.817 12.809 ( 1.974 -3.360 -0.981) 4.019 12.809 ( 1.974 3.360 -0.981) 4.019 12.981 ( -0.035 -2.990 1.804) 3.492 12.981 ( -0.035 2.990 1.804) 3.492 14.282 ( -2.067 -3.380 1.352) 4.187 14.282 ( -2.067 3.380 1.352) 4.187 14.667 ( 5.881 -5.609 -0.995) 8.188 14.667 ( 5.881 5.609 -0.995) 8.188 14.956 ( -1.913 -2.218 1.248) 3.184 14.956 ( -1.913 2.218 1.248) 3.184 15.412 ( -1.814 -5.915 3.522) 7.119 15.412 ( -1.814 5.915 3.522) 7.119 15.514 ( 0.074 -0.982 -1.325) 1.651 15.514 ( 0.074 0.982 -1.325) 1.651 16.003 ( 5.889 -3.865 -0.870) 7.098 16.003 ( 5.889 3.865 -0.870) 7.098 16.376 ( 0.873 -1.475 0.655) 1.835 16.376 ( 0.873 1.475 0.655) 1.835 16.604 ( 1.233 -2.269 0.920) 2.741 16.604 ( 1.233 2.269 0.920) 2.741 16.898 ( -7.388 -4.478 -2.981) 9.140 16.898 ( -7.388 4.478 -2.981) 9.140 17.188 ( -0.134 -1.292 1.069) 1.682 17.188 ( -0.134 1.292 1.069) 1.682 17.428 ( 1.604 -1.948 4.804) 5.426 17.428 ( 1.604 1.948 4.804) 5.426 17.676 ( 2.909 -2.832 -1.827) 4.452 17.676 ( 2.909 2.832 -1.827) 4.452 18.102 ( -0.441 -4.363 -4.501) 6.284 18.102 ( -0.441 4.363 -4.501) 6.284 18.294 ( -7.552 -1.806 -1.137) 7.848 18.294 ( -7.552 1.806 -1.137) 7.848 18.884 ( 3.879 -1.852 1.612) 4.591 18.884 ( 3.879 1.852 1.612) 4.591 19.119 ( -1.685 -0.372 1.795) 2.490 19.119 ( -1.685 0.372 1.795) 2.490 21.116 ( 0.103 -3.563 0.545) 3.606 21.116 ( 0.103 3.563 0.545) 3.606 21.260 ( 2.253 -4.393 0.602) 4.973 21.260 ( 2.253 4.393 0.602) 4.973 21.354 ( -1.778 -1.522 -0.137) 2.345 21.354 ( -1.778 1.522 -0.137) 2.345 21.587 ( 1.258 -0.751 -3.053) 3.387 21.587 ( 1.258 0.751 -3.053) 3.387 26.848 ( -0.248 -1.023 0.877) 1.370 26.848 ( -0.248 1.023 0.877) 1.370 26.886 ( 0.761 -1.043 -0.605) 1.426 26.886 ( 0.761 1.043 -0.605) 1.426 27.669 ( -0.224 -0.212 0.030) 0.310 27.669 ( -0.224 0.212 0.030) 0.310 27.727 ( -0.597 -0.064 -0.332) 0.686 27.727 ( -0.597 0.064 -0.332) 0.686 35.856 ( -0.779 -4.015 7.587) 8.619 35.856 ( -0.779 4.015 7.587) 8.619 35.967 ( 2.679 -3.770 -2.262) 5.148 35.967 ( 2.679 3.770 -2.262) 5.148 37.047 ( -2.704 -1.102 6.758) 7.361 37.047 ( -2.704 1.102 6.758) 7.361 37.581 ( 6.737 -2.948 -6.400) 9.748 37.581 ( 6.737 2.948 -6.400) 9.748 37.685 ( -8.561 -4.169 0.641) 9.543 37.685 ( -8.561 4.169 0.641) 9.543 38.008 ( -9.782 -2.010 -0.668) 10.009 38.008 ( -9.782 2.010 -0.668) 10.009 38.679 ( 5.672 -12.860 3.865) 14.577 38.679 ( 5.672 12.860 3.865) 14.577 39.801 ( -0.024 -5.690 -6.800) 8.866 39.801 ( -0.024 5.690 -6.800) 8.866 ======================= Grid point 171 (81/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -2.431 0.000 -10.126) 10.413 1.337 ( 2.431 0.000 10.126) 10.413 1.552 ( 3.269 0.000 -11.125) 11.596 1.552 ( -3.269 0.000 11.125) 11.596 2.257 ( -1.655 0.000 -0.557) 1.746 2.257 ( 1.655 0.000 0.557) 1.746 2.415 ( 0.940 0.000 -16.523) 16.549 2.415 ( -0.940 0.000 16.523) 16.549 3.038 ( 4.627 0.000 -1.844) 4.981 3.038 ( -4.627 0.000 1.844) 4.981 3.075 ( -2.506 0.000 -4.176) 4.871 3.075 ( 2.506 0.000 4.176) 4.871 3.763 ( -4.389 0.000 -3.728) 5.759 3.763 ( 4.389 0.000 3.728) 5.759 4.268 ( 12.167 0.000 -17.051) 20.946 4.268 ( -12.167 0.000 17.051) 20.946 4.474 ( -4.495 0.000 -0.841) 4.573 4.474 ( 4.495 0.000 0.841) 4.573 4.618 ( -8.021 0.000 -14.823) 16.854 4.618 ( 8.021 0.000 14.823) 16.854 4.921 ( -3.651 0.000 -6.512) 7.466 4.921 ( 3.651 0.000 6.512) 7.466 5.060 ( -9.202 0.000 -1.584) 9.337 5.060 ( 9.202 0.000 1.584) 9.337 5.315 ( -5.520 0.000 -15.811) 16.747 5.315 ( 5.520 0.000 15.811) 16.747 5.532 ( -8.941 0.000 -2.956) 9.417 5.532 ( 8.941 0.000 2.956) 9.417 5.996 ( -6.240 0.000 -11.412) 13.006 5.996 ( 6.240 0.000 11.412) 13.006 6.141 ( -1.173 0.000 -3.285) 3.488 6.141 ( 1.173 0.000 3.285) 3.488 6.354 ( -4.492 0.000 -2.966) 5.383 6.354 ( 4.492 0.000 2.966) 5.383 6.498 ( -13.706 0.000 2.911) 14.012 6.498 ( 13.706 0.000 -2.911) 14.012 6.615 ( 1.387 0.000 -3.465) 3.733 6.615 ( -1.387 0.000 3.465) 3.733 6.964 ( -2.435 0.000 -2.095) 3.212 6.964 ( 2.435 0.000 2.095) 3.212 7.393 ( -1.549 0.000 -6.179) 6.370 7.393 ( 1.549 0.000 6.179) 6.370 7.467 ( -8.351 0.000 0.957) 8.405 7.467 ( 8.351 0.000 -0.957) 8.405 7.584 ( 11.497 0.000 -14.433) 18.452 7.584 ( -11.497 0.000 14.433) 18.452 7.814 ( 0.772 0.000 -2.355) 2.479 7.814 ( -0.772 0.000 2.355) 2.479 8.150 ( -5.456 0.000 1.178) 5.582 8.150 ( 5.456 0.000 -1.178) 5.582 8.432 ( -0.631 0.000 -2.972) 3.038 8.432 ( 0.631 0.000 2.972) 3.038 8.583 ( -10.309 0.000 2.370) 10.577 8.583 ( 10.309 0.000 -2.370) 10.577 8.810 ( 3.462 0.000 -4.318) 5.535 8.810 ( -3.462 0.000 4.318) 5.535 9.118 ( 1.179 0.000 -1.527) 1.929 9.118 ( -1.179 0.000 1.527) 1.929 9.259 ( 3.075 0.000 -12.659) 13.027 9.259 ( -3.075 0.000 12.659) 13.027 9.508 ( -7.267 0.000 -7.206) 10.235 9.508 ( 7.267 0.000 7.206) 10.235 10.058 ( 4.075 0.000 -5.846) 7.126 10.058 ( -4.075 0.000 5.846) 7.126 10.374 ( 1.252 0.000 -3.063) 3.309 10.374 ( -1.252 0.000 3.063) 3.309 10.935 ( -4.729 0.000 -8.637) 9.847 10.935 ( 4.729 0.000 8.637) 9.847 11.369 ( 5.655 0.000 -2.079) 6.025 11.369 ( -5.655 0.000 2.079) 6.025 11.623 ( 0.980 0.000 -2.133) 2.347 11.623 ( -0.980 0.000 2.133) 2.347 12.451 ( 0.169 0.000 -0.944) 0.959 12.451 ( -0.169 0.000 0.944) 0.959 12.656 ( 2.245 0.000 -3.220) 3.925 12.656 ( -2.245 0.000 3.220) 3.925 12.977 ( 6.696 0.000 -4.849) 8.267 12.977 ( -6.696 0.000 4.849) 8.267 13.315 ( -11.899 0.000 -9.389) 15.157 13.315 ( 11.899 0.000 9.389) 15.157 14.181 ( 8.925 0.000 -4.244) 9.882 14.181 ( -8.925 0.000 4.244) 9.882 14.229 ( 0.908 0.000 -0.526) 1.050 14.229 ( -0.908 0.000 0.526) 1.050 15.094 ( 0.147 0.000 -2.974) 2.977 15.094 ( -0.147 0.000 2.974) 2.977 15.511 ( -0.894 0.000 -4.114) 4.210 15.511 ( 0.894 0.000 4.114) 4.210 15.962 ( -5.663 0.000 1.830) 5.952 15.962 ( 5.663 0.000 -1.830) 5.952 16.140 ( -3.102 0.000 -6.697) 7.381 16.140 ( 3.102 0.000 6.697) 7.381 16.337 ( 4.568 0.000 -5.095) 6.843 16.337 ( -4.568 0.000 5.095) 6.843 16.579 ( -13.832 0.000 2.516) 14.059 16.579 ( 13.832 0.000 -2.516) 14.059 16.887 ( 0.787 0.000 -0.882) 1.182 16.887 ( -0.787 0.000 0.882) 1.182 17.094 ( 2.223 0.000 -3.530) 4.172 17.094 ( -2.223 0.000 3.530) 4.172 17.355 ( 0.548 0.000 -1.846) 1.926 17.355 ( -0.548 0.000 1.846) 1.926 17.691 ( 5.110 0.000 -3.752) 6.339 17.691 ( -5.110 0.000 3.752) 6.339 17.999 ( -7.999 0.000 2.622) 8.418 17.999 ( 7.999 0.000 -2.622) 8.418 18.293 ( -1.020 0.000 -0.117) 1.026 18.293 ( 1.020 0.000 0.117) 1.026 18.871 ( 4.162 0.000 -3.960) 5.745 18.871 ( -4.162 0.000 3.960) 5.745 19.138 ( -0.153 0.000 -4.265) 4.268 19.138 ( 0.153 0.000 4.265) 4.268 20.844 ( 0.316 0.000 -0.145) 0.347 20.844 ( -0.316 0.000 0.145) 0.347 21.060 ( 1.566 0.000 -1.253) 2.006 21.060 ( -1.566 0.000 1.253) 2.006 21.421 ( 0.535 0.000 -1.404) 1.503 21.421 ( -0.535 0.000 1.404) 1.503 21.612 ( 0.031 0.000 -1.366) 1.367 21.612 ( -0.031 0.000 1.366) 1.367 26.808 ( 0.882 0.000 -1.563) 1.795 26.808 ( -0.882 0.000 1.563) 1.795 26.924 ( -0.414 0.000 -1.073) 1.150 26.924 ( 0.414 0.000 1.073) 1.150 27.644 ( 0.196 0.000 -0.118) 0.229 27.644 ( -0.196 0.000 0.118) 0.229 27.746 ( -0.314 0.000 0.088) 0.326 27.746 ( 0.314 0.000 -0.088) 0.326 35.713 ( 3.206 0.000 -2.279) 3.933 35.713 ( -3.206 0.000 2.279) 3.933 36.211 ( -1.253 0.000 -0.641) 1.408 36.211 ( 1.253 0.000 0.641) 1.408 37.324 ( 2.231 0.000 -8.308) 8.602 37.324 ( -2.231 0.000 8.308) 8.602 37.474 ( 4.066 0.000 -4.630) 6.162 37.474 ( -4.066 0.000 4.630) 6.162 37.749 ( -16.702 0.000 -1.123) 16.740 37.749 ( 16.702 0.000 1.123) 16.740 38.079 ( -3.565 0.000 -3.690) 5.131 38.079 ( 3.565 0.000 3.690) 5.131 38.821 ( -29.727 0.000 4.281) 30.033 38.821 ( 29.727 0.000 -4.281) 30.033 39.874 ( -20.846 0.000 -4.321) 21.289 39.874 ( 20.846 0.000 4.321) 21.289 ======================= Grid point 173 (82/100) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 9.748 0.000 -17.379) 19.926 1.457 ( 10.384 0.000 -17.941) 20.730 1.586 ( 4.030 0.000 8.602) 9.499 1.624 ( 0.315 0.000 8.777) 8.782 2.197 ( -4.383 0.000 -2.467) 5.030 2.279 ( -3.463 0.000 0.433) 3.490 2.297 ( 10.033 0.000 -21.375) 23.613 2.472 ( -1.424 0.000 4.952) 5.152 2.964 ( -5.348 0.000 -2.938) 6.102 2.997 ( -1.380 0.000 -0.751) 1.571 3.111 ( 1.229 0.000 3.249) 3.474 3.153 ( -0.765 0.000 8.972) 9.005 3.670 ( -2.383 0.000 -1.263) 2.697 3.896 ( 6.343 0.000 3.312) 7.156 4.232 ( -5.932 0.000 15.829) 16.904 4.238 ( -3.836 0.000 -8.517) 9.341 4.274 ( -5.389 0.000 -11.348) 12.562 4.444 ( -20.407 0.000 2.847) 20.605 4.517 ( 3.877 0.000 -2.139) 4.428 4.611 ( -1.577 0.000 5.527) 5.747 4.767 ( -8.575 0.000 -7.567) 11.436 4.802 ( -14.580 0.000 -2.541) 14.800 5.105 ( 2.697 0.000 -17.666) 17.871 5.192 ( 18.181 0.000 5.919) 19.121 5.312 ( 11.390 0.000 -2.339) 11.627 5.393 ( -9.231 0.000 -5.054) 10.524 5.447 ( -0.278 0.000 2.047) 2.065 5.576 ( -3.676 0.000 -2.925) 4.697 5.769 ( 0.057 0.000 -4.265) 4.266 6.080 ( 2.400 0.000 -1.687) 2.934 6.201 ( -1.126 0.000 11.605) 11.660 6.258 ( -4.404 0.000 -5.099) 6.738 6.280 ( 5.096 0.000 11.434) 12.518 6.317 ( -6.393 0.000 1.725) 6.622 6.575 ( 16.408 0.000 3.573) 16.793 6.719 ( 9.745 0.000 -3.105) 10.227 6.728 ( 5.686 0.000 3.561) 6.709 6.779 ( 16.063 0.000 -2.262) 16.221 6.949 ( 0.139 0.000 -0.437) 0.458 7.052 ( -2.246 0.000 5.111) 5.583 7.212 ( -2.392 0.000 -6.526) 6.950 7.403 ( 8.165 0.000 -17.889) 19.664 7.403 ( 1.135 0.000 6.921) 7.014 7.513 ( -1.477 0.000 -0.768) 1.665 7.658 ( 8.404 0.000 -4.120) 9.359 7.779 ( -6.931 0.000 3.665) 7.840 7.800 ( 7.670 0.000 -1.798) 7.878 7.882 ( 13.348 0.000 1.980) 13.494 8.121 ( -6.273 0.000 11.742) 13.312 8.237 ( -1.272 0.000 9.815) 9.897 8.317 ( -7.743 0.000 -2.755) 8.218 8.428 ( 4.203 0.000 -4.919) 6.470 8.543 ( -1.920 0.000 10.236) 10.415 8.640 ( -3.042 0.000 1.919) 3.597 8.760 ( -8.233 0.000 6.104) 10.248 8.821 ( 1.551 0.000 -0.905) 1.795 8.899 ( -11.579 0.000 -9.495) 14.974 8.923 ( -9.039 0.000 -4.193) 9.964 9.288 ( 1.048 0.000 8.388) 8.454 9.298 ( 7.023 0.000 -7.084) 9.975 9.535 ( -1.038 0.000 8.178) 8.243 9.749 ( 5.511 0.000 5.454) 7.754 10.010 ( -5.660 0.000 2.491) 6.184 10.074 ( 3.871 0.000 -5.609) 6.816 10.322 ( -4.900 0.000 -0.897) 4.981 10.347 ( -4.277 0.000 3.013) 5.232 10.721 ( -6.663 0.000 -6.935) 9.617 10.971 ( -5.618 0.000 2.973) 6.356 11.404 ( 3.778 0.000 5.522) 6.691 11.568 ( 5.129 0.000 2.644) 5.771 11.630 ( -1.236 0.000 3.169) 3.401 11.696 ( 10.591 0.000 9.400) 14.161 12.468 ( 1.288 0.000 1.745) 2.169 12.476 ( 0.585 0.000 3.063) 3.119 12.664 ( -0.828 0.000 3.379) 3.479 12.699 ( 5.175 0.000 -2.207) 5.626 12.869 ( -7.430 0.000 1.542) 7.588 12.971 ( -2.164 0.000 -10.348) 10.572 13.087 ( -1.575 0.000 -4.658) 4.917 13.539 ( -2.500 0.000 4.755) 5.373 14.031 ( -5.068 0.000 -2.151) 5.506 14.193 ( 2.206 0.000 -5.997) 6.390 14.292 ( 6.277 0.000 0.316) 6.285 14.336 ( 9.178 0.000 -3.017) 9.661 15.078 ( 1.458 0.000 -2.622) 3.000 15.115 ( -1.035 0.000 3.423) 3.577 15.455 ( -0.710 0.000 -3.177) 3.255 15.546 ( -0.678 0.000 1.660) 1.793 15.848 ( -17.919 0.000 -7.813) 19.549 15.856 ( -8.528 0.000 3.103) 9.076 16.042 ( 1.056 0.000 -0.213) 1.078 16.175 ( -2.845 0.000 0.448) 2.881 16.260 ( -2.117 0.000 2.722) 3.449 16.336 ( 0.194 0.000 0.170) 0.258 16.420 ( -4.763 0.000 0.307) 4.772 16.716 ( 1.624 0.000 -1.849) 2.461 16.907 ( 1.589 0.000 0.876) 1.814 16.927 ( 2.654 0.000 0.099) 2.656 17.122 ( 2.379 0.000 -0.654) 2.467 17.127 ( 0.479 0.000 7.721) 7.736 17.319 ( -2.495 0.000 0.207) 2.504 17.319 ( -0.214 0.000 -4.944) 4.949 17.615 ( -6.145 0.000 3.238) 6.946 17.700 ( 1.035 0.000 -7.192) 7.266 17.982 ( 3.898 0.000 2.778) 4.786 18.136 ( 7.399 0.000 -1.208) 7.497 18.353 ( 7.155 0.000 -0.922) 7.214 18.378 ( 5.391 0.000 1.373) 5.563 18.796 ( -8.248 0.000 6.191) 10.313 18.857 ( -2.331 0.000 -2.643) 3.524 19.081 ( -0.109 0.000 -5.709) 5.710 19.149 ( -1.567 0.000 0.314) 1.598 20.841 ( -0.100 0.000 0.151) 0.181 20.848 ( 0.364 0.000 -0.274) 0.455 21.067 ( 0.188 0.000 2.715) 2.721 21.091 ( 2.664 0.000 -1.317) 2.971 21.423 ( 1.232 0.000 -1.304) 1.794 21.429 ( -0.106 0.000 1.434) 1.438 21.590 ( -0.776 0.000 -1.435) 1.631 21.608 ( -1.570 0.000 0.680) 1.711 26.799 ( -1.646 0.000 1.535) 2.251 26.802 ( 0.327 0.000 -1.854) 1.882 26.912 ( 0.337 0.000 -1.086) 1.137 26.942 ( 0.406 0.000 0.652) 0.768 27.644 ( -0.148 0.000 0.526) 0.546 27.649 ( 0.230 0.000 0.240) 0.333 27.752 ( 0.654 0.000 0.144) 0.670 27.760 ( 1.320 0.000 -0.457) 1.397 35.672 ( -2.984 0.000 1.923) 3.550 35.735 ( 2.048 0.000 -4.063) 4.551 36.151 ( -3.141 0.000 -1.776) 3.608 36.177 ( -3.486 0.000 -3.848) 5.192 37.278 ( -0.255 0.000 -7.063) 7.068 37.344 ( -8.600 0.000 -9.067) 12.497 37.348 ( -4.317 0.000 8.822) 9.822 37.456 ( -2.205 0.000 4.250) 4.788 37.523 ( 4.877 0.000 -6.181) 7.874 37.658 ( -13.784 0.000 2.576) 14.023 38.271 ( 8.238 0.000 -0.047) 8.239 38.354 ( 21.625 0.000 -5.980) 22.437 38.497 ( -11.238 0.000 6.570) 13.017 39.469 ( -18.862 0.000 -0.815) 18.880 39.544 ( 37.080 0.000 17.534) 41.016 40.285 ( 19.258 0.000 0.807) 19.275 ======================= Grid point 174 (83/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 16.350 0.000 -14.089) 21.583 1.450 ( 10.152 0.000 -16.392) 19.281 1.741 ( 5.579 0.000 3.530) 6.602 1.765 ( 3.869 0.000 6.497) 7.562 2.025 ( -10.412 0.000 -1.550) 10.527 2.060 ( -17.026 0.000 1.295) 17.075 2.433 ( 20.308 0.000 -13.726) 24.512 2.565 ( 4.921 0.000 3.667) 6.137 2.829 ( -6.822 0.000 -1.214) 6.930 2.908 ( -5.540 0.000 -5.510) 7.813 3.141 ( -0.472 0.000 2.521) 2.565 3.195 ( -3.502 0.000 6.295) 7.203 3.680 ( 2.729 0.000 4.422) 5.196 3.970 ( -4.765 0.000 -7.218) 8.649 4.074 ( 1.706 0.000 4.104) 4.444 4.084 ( -13.949 0.000 -0.741) 13.968 4.238 ( 4.318 0.000 -8.635) 9.654 4.356 ( 0.272 0.000 11.507) 11.510 4.372 ( -8.625 0.000 -3.297) 9.233 4.569 ( -6.674 0.000 -1.154) 6.773 4.645 ( -4.030 0.000 10.168) 10.938 4.721 ( 3.060 0.000 0.374) 3.083 4.874 ( -1.542 0.000 -21.451) 21.506 5.005 ( -16.277 0.000 -8.524) 18.374 5.399 ( 2.396 0.000 3.906) 4.582 5.513 ( 8.516 0.000 -0.465) 8.529 5.556 ( 4.104 0.000 0.915) 4.205 5.683 ( 10.364 0.000 7.417) 12.745 5.821 ( 5.194 0.000 1.699) 5.465 5.943 ( -6.845 0.000 -11.417) 13.311 6.027 ( -11.043 0.000 -5.727) 12.440 6.226 ( -4.143 0.000 -3.041) 5.139 6.401 ( 5.602 0.000 11.348) 12.656 6.504 ( 6.929 0.000 7.469) 10.188 6.761 ( -2.886 0.000 0.965) 3.043 6.762 ( -3.281 0.000 -8.436) 9.052 6.885 ( 7.959 0.000 -0.850) 8.005 6.915 ( 1.558 0.000 -5.617) 5.829 7.016 ( 11.093 0.000 4.056) 11.812 7.050 ( 1.080 0.000 10.802) 10.856 7.321 ( 12.530 0.000 0.025) 12.530 7.373 ( 8.274 0.000 -19.194) 20.902 7.509 ( 0.398 0.000 4.498) 4.516 7.593 ( -5.059 0.000 -3.888) 6.380 7.622 ( 6.807 0.000 7.552) 10.167 7.750 ( 5.014 0.000 -9.100) 10.390 7.838 ( -0.736 0.000 0.359) 0.819 7.984 ( -4.238 0.000 -1.816) 4.611 8.053 ( -7.178 0.000 7.480) 10.366 8.305 ( 0.920 0.000 4.892) 4.978 8.333 ( -8.436 0.000 -2.677) 8.850 8.445 ( -7.287 0.000 -4.575) 8.604 8.544 ( -3.730 0.000 5.399) 6.562 8.571 ( -4.393 0.000 6.866) 8.151 8.632 ( 13.313 0.000 10.002) 16.652 8.838 ( 1.014 0.000 0.752) 1.263 8.890 ( 5.384 0.000 1.311) 5.542 8.920 ( 8.626 0.000 4.189) 9.590 9.312 ( -0.511 0.000 -5.031) 5.056 9.413 ( -0.766 0.000 3.932) 4.006 9.485 ( -6.612 0.000 7.900) 10.302 9.753 ( -3.310 0.000 -5.360) 6.299 9.920 ( -4.022 0.000 0.365) 4.038 10.064 ( -3.527 0.000 -3.195) 4.759 10.181 ( -4.409 0.000 -2.426) 5.032 10.278 ( -6.517 0.000 3.495) 7.395 10.648 ( 2.603 0.000 -0.912) 2.758 10.856 ( -6.756 0.000 -0.675) 6.789 11.582 ( 5.391 0.000 4.392) 6.953 11.609 ( 1.848 0.000 -1.631) 2.465 11.668 ( 4.442 0.000 7.956) 9.112 12.017 ( 2.642 0.000 15.796) 16.015 12.529 ( 2.398 0.000 2.966) 3.814 12.530 ( 1.480 0.000 4.034) 4.297 12.676 ( -1.442 0.000 3.335) 3.633 12.737 ( -2.497 0.000 -3.495) 4.295 12.802 ( 1.733 0.000 2.360) 2.928 12.815 ( -2.261 0.000 -9.464) 9.730 13.049 ( 0.388 0.000 -5.252) 5.266 13.207 ( -17.010 0.000 -17.202) 24.192 14.048 ( 2.259 0.000 5.472) 5.920 14.180 ( 2.505 0.000 -6.530) 6.994 14.450 ( 4.757 0.000 6.471) 8.031 14.468 ( 9.086 0.000 -6.079) 10.932 15.104 ( 3.995 0.000 -3.005) 4.999 15.123 ( -2.584 0.000 5.620) 6.186 15.425 ( 0.057 0.000 -6.193) 6.193 15.504 ( -3.875 0.000 -1.945) 4.336 15.525 ( -6.036 0.000 -1.207) 6.156 15.703 ( -10.015 0.000 2.423) 10.304 16.025 ( -2.428 0.000 2.383) 3.402 16.094 ( -3.391 0.000 -2.171) 4.026 16.348 ( -0.113 0.000 0.393) 0.409 16.348 ( 2.380 0.000 2.755) 3.641 16.361 ( 2.775 0.000 -1.076) 2.976 16.653 ( -6.760 0.000 1.100) 6.849 16.950 ( 2.256 0.000 0.117) 2.260 16.963 ( -0.563 0.000 4.534) 4.569 17.124 ( -1.988 0.000 2.211) 2.974 17.228 ( 1.396 0.000 -3.404) 3.679 17.281 ( 1.385 0.000 6.302) 6.452 17.354 ( 7.057 0.000 -4.005) 8.114 17.535 ( -6.050 0.000 3.923) 7.210 17.608 ( -1.442 0.000 -10.253) 10.354 18.126 ( 7.443 0.000 1.663) 7.626 18.245 ( 3.938 0.000 0.597) 3.983 18.466 ( 3.400 0.000 0.776) 3.487 18.501 ( 10.363 0.000 -4.220) 11.189 18.712 ( -8.485 0.000 9.053) 12.407 18.740 ( -6.630 0.000 -3.112) 7.324 19.038 ( 0.259 0.000 -3.068) 3.079 19.096 ( -2.291 0.000 -2.550) 3.427 20.843 ( 0.071 0.000 0.285) 0.294 20.850 ( 0.196 0.000 -0.424) 0.467 21.104 ( -0.127 0.000 4.015) 4.017 21.122 ( 2.276 0.000 -2.194) 3.162 21.441 ( 1.640 0.000 -0.947) 1.894 21.444 ( 0.095 0.000 1.633) 1.636 21.561 ( -0.825 0.000 -1.330) 1.565 21.573 ( -2.004 0.000 -0.352) 2.035 26.782 ( -1.745 0.000 1.908) 2.586 26.787 ( 0.290 0.000 -2.241) 2.260 26.918 ( 1.124 0.000 -0.656) 1.301 26.948 ( -0.304 0.000 0.218) 0.374 27.648 ( -0.041 0.000 0.644) 0.645 27.655 ( 0.077 0.000 0.130) 0.151 27.769 ( 0.665 0.000 0.611) 0.903 27.779 ( 1.207 0.000 -0.970) 1.548 35.649 ( -1.897 0.000 2.970) 3.524 35.707 ( 0.282 0.000 -5.478) 5.485 36.066 ( -1.354 0.000 -5.797) 5.953 36.078 ( -3.011 0.000 -0.774) 3.109 37.202 ( 5.180 0.000 -8.525) 9.975 37.290 ( 3.541 0.000 -5.262) 6.342 37.330 ( -6.721 0.000 8.800) 11.073 37.443 ( -7.662 0.000 4.003) 8.645 37.496 ( -3.895 0.000 6.367) 7.464 37.547 ( 3.904 0.000 -6.817) 7.855 38.351 ( 4.920 0.000 -7.750) 9.180 38.356 ( -7.974 0.000 9.730) 12.580 38.710 ( 20.611 0.000 -11.437) 23.572 39.167 ( -16.705 0.000 6.644) 17.978 40.307 ( 15.743 0.000 28.318) 32.400 40.571 ( 13.814 0.000 -7.073) 15.519 ======================= Grid point 175 (84/100) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 3.304 0.000 -3.932) 5.136 1.510 ( -3.304 0.000 3.932) 5.136 1.800 ( 3.167 0.000 -2.377) 3.960 1.800 ( -3.167 0.000 2.377) 3.960 1.886 ( -1.725 0.000 -2.647) 3.160 1.886 ( 1.725 0.000 2.647) 3.160 2.692 ( -4.660 0.000 0.218) 4.665 2.692 ( 4.660 0.000 -0.218) 4.665 2.696 ( -12.542 0.000 2.736) 12.837 2.696 ( 12.542 0.000 -2.736) 12.837 3.165 ( 2.661 0.000 -1.474) 3.042 3.165 ( -2.661 0.000 1.474) 3.042 3.844 ( -5.681 0.000 -5.907) 8.196 3.844 ( 5.681 0.000 5.907) 8.196 3.959 ( -1.410 0.000 -4.365) 4.587 3.959 ( 1.410 0.000 4.365) 4.587 4.329 ( -6.487 0.000 -1.125) 6.584 4.329 ( 6.487 0.000 1.125) 6.584 4.426 ( -10.107 0.000 0.098) 10.107 4.426 ( 10.107 0.000 -0.098) 10.107 4.697 ( 2.916 0.000 -14.238) 14.533 4.697 ( -2.916 0.000 14.238) 14.533 4.790 ( 3.720 0.000 -2.341) 4.396 4.790 ( -3.720 0.000 2.341) 4.396 5.520 ( -0.616 0.000 -11.357) 11.374 5.520 ( 0.616 0.000 11.357) 11.374 5.749 ( -10.678 0.000 -2.877) 11.059 5.749 ( 10.678 0.000 2.877) 11.059 5.761 ( -1.508 0.000 -1.968) 2.479 5.761 ( 1.508 0.000 1.968) 2.479 6.063 ( -7.298 0.000 -8.440) 11.157 6.063 ( 7.298 0.000 8.440) 11.157 6.574 ( -5.843 0.000 -5.095) 7.752 6.574 ( 5.843 0.000 5.095) 7.752 6.669 ( -3.952 0.000 -4.338) 5.868 6.669 ( 3.952 0.000 4.338) 5.868 6.946 ( -0.463 0.000 -0.526) 0.701 6.946 ( 0.463 0.000 0.526) 0.701 7.168 ( 6.434 0.000 -17.739) 18.870 7.168 ( -6.434 0.000 17.739) 18.870 7.361 ( -1.707 0.000 -6.808) 7.019 7.361 ( 1.707 0.000 6.808) 7.019 7.571 ( 3.386 0.000 -4.483) 5.618 7.571 ( -3.386 0.000 4.483) 5.618 7.745 ( 7.460 0.000 -2.638) 7.913 7.745 ( -7.460 0.000 2.638) 7.913 7.855 ( -5.904 0.000 -5.272) 7.915 7.855 ( 5.904 0.000 5.272) 7.915 8.087 ( -5.569 0.000 -4.917) 7.429 8.087 ( 5.569 0.000 4.917) 7.429 8.358 ( 0.444 0.000 -6.048) 6.064 8.358 ( -0.444 0.000 6.048) 6.064 8.528 ( -2.195 0.000 0.111) 2.198 8.528 ( 2.195 0.000 -0.111) 2.198 8.892 ( 0.398 0.000 -3.284) 3.308 8.892 ( -0.398 0.000 3.284) 3.308 9.096 ( -9.047 0.000 -10.713) 14.022 9.096 ( 9.047 0.000 10.713) 14.022 9.205 ( -11.587 0.000 -0.506) 11.598 9.205 ( 11.587 0.000 0.506) 11.598 9.612 ( -5.110 0.000 -5.988) 7.872 9.612 ( 5.110 0.000 5.988) 7.872 9.920 ( -3.763 0.000 -2.150) 4.334 9.920 ( 3.763 0.000 2.150) 4.334 10.189 ( 5.969 0.000 -4.182) 7.288 10.189 ( -5.969 0.000 4.182) 7.288 10.731 ( -5.068 0.000 -1.547) 5.299 10.731 ( 5.068 0.000 1.547) 5.299 11.618 ( 1.243 0.000 -2.596) 2.878 11.618 ( -1.243 0.000 2.596) 2.878 11.966 ( -12.982 0.000 -4.248) 13.660 11.966 ( 12.982 0.000 4.248) 13.660 12.582 ( 0.829 0.000 -1.613) 1.813 12.582 ( -0.829 0.000 1.613) 1.813 12.693 ( 0.894 0.000 -2.953) 3.085 12.693 ( -0.894 0.000 2.953) 3.085 12.741 ( -4.166 0.000 0.795) 4.241 12.741 ( 4.166 0.000 -0.795) 4.241 12.996 ( -1.015 0.000 -1.927) 2.177 12.996 ( 1.015 0.000 1.927) 2.177 14.140 ( -0.114 0.000 -7.124) 7.125 14.140 ( 0.114 0.000 7.124) 7.125 14.530 ( 4.432 0.000 -8.686) 9.752 14.530 ( -4.432 0.000 8.686) 9.752 15.132 ( 3.711 0.000 -7.522) 8.388 15.132 ( -3.711 0.000 7.522) 8.388 15.397 ( -3.683 0.000 -0.430) 3.708 15.397 ( 3.683 0.000 0.430) 3.708 15.563 ( -5.915 0.000 0.050) 5.915 15.563 ( 5.915 0.000 -0.050) 5.915 16.031 ( -0.854 0.000 -2.142) 2.306 16.031 ( 0.854 0.000 2.142) 2.306 16.339 ( 0.300 0.000 -1.296) 1.331 16.339 ( -0.300 0.000 1.296) 1.331 16.514 ( -8.372 0.000 0.196) 8.375 16.514 ( 8.372 0.000 -0.196) 8.375 16.981 ( 1.570 0.000 -2.032) 2.568 16.981 ( -1.570 0.000 2.032) 2.568 17.151 ( 0.381 0.000 -8.500) 8.508 17.151 ( -0.381 0.000 8.500) 8.508 17.421 ( 2.113 0.000 -9.343) 9.579 17.421 ( -2.113 0.000 9.343) 9.579 17.481 ( 1.950 0.000 -7.816) 8.055 17.481 ( -1.950 0.000 7.816) 8.055 18.249 ( -3.829 0.000 -0.284) 3.840 18.249 ( 3.829 0.000 0.284) 3.840 18.576 ( -6.835 0.000 -2.260) 7.199 18.576 ( 6.835 0.000 2.260) 7.199 18.633 ( 9.534 0.000 -8.451) 12.740 18.633 ( -9.534 0.000 8.451) 12.740 19.041 ( -1.143 0.000 -1.143) 1.616 19.041 ( 1.143 0.000 1.143) 1.616 20.848 ( -0.023 0.000 -0.425) 0.426 20.848 ( 0.023 0.000 0.425) 0.426 21.128 ( 1.273 0.000 -3.434) 3.662 21.128 ( -1.273 0.000 3.434) 3.662 21.455 ( 0.738 0.000 -1.314) 1.507 21.455 ( -0.738 0.000 1.314) 1.507 21.545 ( 0.484 0.000 -0.353) 0.599 21.545 ( -0.484 0.000 0.353) 0.599 26.776 ( 1.010 0.000 -2.305) 2.517 26.776 ( -1.010 0.000 2.305) 2.517 26.936 ( -1.074 0.000 0.219) 1.097 26.936 ( 1.074 0.000 -0.219) 1.097 27.654 ( -0.039 0.000 -0.345) 0.347 27.654 ( 0.039 0.000 0.345) 0.347 27.783 ( 0.208 0.000 -1.076) 1.096 27.783 ( -0.208 0.000 1.076) 1.096 35.662 ( 0.592 0.000 -4.581) 4.619 35.662 ( -0.592 0.000 4.581) 4.619 36.036 ( 1.952 0.000 -2.289) 3.008 36.036 ( -1.952 0.000 2.289) 3.008 37.266 ( 8.802 0.000 -8.429) 12.187 37.266 ( -8.802 0.000 8.429) 12.187 37.335 ( 6.447 0.000 -4.404) 7.808 37.335 ( -6.447 0.000 4.404) 7.808 37.531 ( 1.572 0.000 -6.886) 7.063 37.531 ( -1.572 0.000 6.886) 7.063 38.341 ( 4.645 0.000 -10.450) 11.436 38.341 ( -4.645 0.000 10.450) 11.436 38.947 ( 17.020 0.000 -11.045) 20.290 38.947 ( -17.020 0.000 11.045) 20.290 40.629 ( 4.159 0.000 -18.415) 18.879 40.629 ( -4.159 0.000 18.415) 18.879 ======================= Grid point 179 (85/100) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -3.746 8.402 -11.678) 14.866 1.426 ( 3.746 8.402 11.678) 14.866 1.614 ( 1.102 5.909 -10.753) 12.319 1.614 ( -1.102 5.909 10.753) 12.319 2.289 ( 3.534 2.378 -3.045) 5.236 2.289 ( -3.534 2.378 3.045) 5.236 2.432 ( 2.628 2.247 -13.257) 13.701 2.432 ( -2.628 2.247 13.257) 13.701 3.036 ( 0.787 -1.406 -3.091) 3.485 3.036 ( -0.787 -1.406 3.091) 3.485 3.052 ( 1.328 -1.369 -9.021) 9.220 3.052 ( -1.328 -1.369 9.021) 9.220 3.748 ( -4.978 -1.050 -6.960) 8.621 3.748 ( 4.978 -1.050 6.960) 8.621 4.297 ( 9.080 2.472 -13.495) 16.452 4.297 ( -9.080 2.472 13.495) 16.452 4.469 ( -5.618 -0.108 0.206) 5.623 4.469 ( 5.618 -0.108 -0.206) 5.623 4.644 ( -8.965 2.100 -12.530) 15.549 4.644 ( 8.965 2.100 12.530) 15.549 4.913 ( -1.931 -1.716 -5.393) 5.979 4.913 ( 1.931 -1.716 5.393) 5.979 5.069 ( -7.749 0.713 -5.088) 9.298 5.069 ( 7.749 0.713 5.088) 9.298 5.282 ( -2.850 -1.642 -10.703) 11.197 5.282 ( 2.850 -1.642 10.703) 11.197 5.535 ( -9.357 0.141 -4.835) 10.533 5.535 ( 9.357 0.141 4.835) 10.533 5.930 ( -7.410 -4.572 -13.304) 15.900 5.930 ( 7.410 -4.572 13.304) 15.900 6.102 ( -9.041 -6.778 -4.565) 12.186 6.102 ( 9.041 -6.778 4.565) 12.186 6.401 ( 1.304 3.126 -0.930) 3.513 6.401 ( -1.304 3.126 0.930) 3.513 6.466 ( -3.581 0.277 -5.863) 6.876 6.466 ( 3.581 0.277 5.863) 6.876 6.669 ( -3.023 4.737 -0.041) 5.620 6.669 ( 3.023 4.737 0.041) 5.620 6.990 ( 0.684 3.113 -1.993) 3.759 6.990 ( -0.684 3.113 1.993) 3.759 7.322 ( 2.948 -4.537 -7.259) 9.054 7.322 ( -2.948 -4.537 7.259) 9.054 7.508 ( -2.142 2.830 -6.567) 7.464 7.508 ( 2.142 2.830 6.567) 7.464 7.670 ( 1.823 5.627 -5.524) 8.093 7.670 ( -1.823 5.627 5.524) 8.093 7.798 ( -1.219 -0.259 -5.295) 5.440 7.798 ( 1.219 -0.259 5.295) 5.440 8.209 ( -4.543 3.910 -3.978) 7.194 8.209 ( 4.543 3.910 3.978) 7.194 8.399 ( -4.867 -2.807 -1.165) 5.738 8.399 ( 4.867 -2.807 1.165) 5.738 8.565 ( -2.752 -1.972 -6.012) 6.900 8.565 ( 2.752 -1.972 6.012) 6.900 8.753 ( 2.723 -2.779 -2.441) 4.593 8.753 ( -2.723 -2.779 2.441) 4.593 9.144 ( -5.454 0.592 -3.723) 6.630 9.144 ( 5.454 0.592 3.723) 6.630 9.276 ( 2.229 2.324 -9.615) 10.140 9.276 ( -2.229 2.324 9.615) 10.140 9.524 ( -5.729 1.585 -7.042) 9.215 9.524 ( 5.729 1.585 7.042) 9.215 10.002 ( 2.989 -5.091 -6.328) 8.654 10.002 ( -2.989 -5.091 6.328) 8.654 10.340 ( 1.037 -3.125 -2.717) 4.269 10.340 ( -1.037 -3.125 2.717) 4.269 10.996 ( -4.970 4.237 -6.943) 9.532 10.996 ( 4.970 4.237 6.943) 9.532 11.353 ( -2.774 -0.732 -3.323) 4.390 11.353 ( 2.774 -0.732 3.323) 4.390 11.626 ( 0.467 -0.143 -1.463) 1.542 11.626 ( -0.467 -0.143 1.463) 1.542 12.437 ( 0.360 -1.112 -1.027) 1.556 12.437 ( -0.360 -1.112 1.027) 1.556 12.629 ( 2.376 -2.334 -2.478) 4.151 12.629 ( -2.376 -2.334 2.478) 4.151 12.950 ( 5.362 -2.315 -5.025) 7.705 12.950 ( -5.362 -2.315 5.025) 7.705 13.275 ( -9.637 -3.781 -7.978) 13.070 13.275 ( 9.637 -3.781 7.978) 13.070 14.197 ( -1.459 1.819 -3.458) 4.170 14.197 ( 1.459 1.819 3.458) 4.170 14.306 ( 0.277 6.909 -2.057) 7.214 14.306 ( -0.277 6.909 2.057) 7.214 15.092 ( 0.723 -0.414 -2.696) 2.821 15.092 ( -0.723 -0.414 2.696) 2.821 15.512 ( 0.147 -0.220 -4.135) 4.144 15.512 ( -0.147 -0.220 4.135) 4.144 15.892 ( -7.061 -7.035 0.719) 9.993 15.892 ( 7.061 -7.035 -0.719) 9.993 16.066 ( -2.278 -5.262 -5.346) 7.840 16.066 ( 2.278 -5.262 5.346) 7.840 16.353 ( -0.657 1.534 -4.900) 5.177 16.353 ( 0.657 1.534 4.900) 5.177 16.586 ( -9.989 0.137 0.846) 10.026 16.586 ( 9.989 0.137 -0.846) 10.026 16.931 ( 0.728 2.160 -2.320) 3.253 16.931 ( -0.728 2.160 2.320) 3.253 17.041 ( 0.497 -1.980 -2.241) 3.031 17.041 ( -0.497 -1.980 2.241) 3.031 17.409 ( 1.346 3.787 -1.845) 4.422 17.409 ( -1.346 3.787 1.845) 4.422 17.700 ( 3.794 0.773 -4.166) 5.687 17.700 ( -3.794 0.773 4.166) 5.687 17.994 ( -8.500 -0.482 2.044) 8.756 17.994 ( 8.500 -0.482 -2.044) 8.756 18.281 ( -1.664 -1.109 -0.117) 2.003 18.281 ( 1.664 -1.109 0.117) 2.003 18.886 ( 3.453 1.467 -3.631) 5.222 18.886 ( -3.453 1.467 3.631) 5.222 19.129 ( 0.463 -0.670 -3.371) 3.468 19.129 ( -0.463 -0.670 3.371) 3.468 20.896 ( -0.155 4.595 -1.173) 4.745 20.896 ( 0.155 4.595 1.173) 4.745 21.097 ( -2.335 3.627 -0.492) 4.341 21.097 ( 2.335 3.627 0.492) 4.341 21.416 ( 0.490 -0.477 -1.233) 1.410 21.416 ( -0.490 -0.477 1.233) 1.410 21.604 ( -0.055 -0.919 -1.100) 1.434 21.604 ( 0.055 -0.919 1.100) 1.434 26.815 ( 0.888 0.684 -1.553) 1.916 26.815 ( -0.888 0.684 1.553) 1.916 26.920 ( -0.138 -0.422 -1.206) 1.285 26.920 ( 0.138 -0.422 1.206) 1.285 27.647 ( -0.015 0.268 -0.278) 0.387 27.647 ( 0.015 0.268 0.278) 0.387 27.742 ( -0.388 -0.453 0.033) 0.597 27.742 ( 0.388 -0.453 -0.033) 0.597 35.733 ( 3.465 2.064 -2.575) 4.785 35.733 ( -3.465 2.064 2.575) 4.785 36.199 ( -1.205 -1.314 -0.286) 1.805 36.199 ( 1.205 -1.314 0.286) 1.805 37.311 ( 1.321 -1.134 -8.350) 8.529 37.311 ( -1.321 -1.134 8.350) 8.529 37.499 ( 2.876 2.275 -4.146) 5.535 37.499 ( -2.876 2.275 4.146) 5.535 37.728 ( -21.964 -3.156 -3.445) 22.456 37.728 ( 21.964 -3.156 3.445) 22.456 37.953 ( -7.413 -8.914 -2.470) 11.854 37.953 ( 7.413 -8.914 2.470) 11.854 38.860 ( -4.868 2.299 -13.168) 14.226 38.860 ( 4.868 2.299 13.168) 14.226 39.850 ( -18.556 -2.525 -5.254) 19.450 39.850 ( 18.556 -2.525 5.254) 19.450 ======================= Grid point 181 (86/100) ======================= q-point: ( 0.17 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 7.176 6.446 -14.448) 17.373 1.539 ( 4.808 6.027 -14.466) 16.392 1.646 ( 7.456 7.998 9.376) 14.404 1.729 ( 3.292 7.951 5.102) 10.004 2.218 ( -5.339 1.491 0.564) 5.572 2.291 ( -8.005 1.425 -0.949) 8.186 2.347 ( 10.714 4.411 -16.369) 20.055 2.483 ( 1.870 1.923 0.636) 2.757 2.922 ( -7.263 -3.682 -0.893) 8.192 3.006 ( -0.971 -0.191 -3.204) 3.353 3.072 ( 0.004 -2.764 4.089) 4.936 3.147 ( 2.274 -1.039 4.523) 5.168 3.634 ( -1.642 -2.736 -2.970) 4.359 3.932 ( 6.667 2.856 5.898) 9.348 4.205 ( -8.684 -0.064 1.564) 8.824 4.245 ( -1.412 0.108 -2.658) 3.012 4.318 ( -7.964 1.833 -1.164) 8.254 4.455 ( -14.659 1.556 2.366) 14.930 4.527 ( -2.245 0.758 0.848) 2.517 4.648 ( -3.334 2.072 -0.823) 4.011 4.754 ( -9.121 2.777 -3.682) 10.221 4.861 ( -6.357 2.227 -4.068) 7.869 5.058 ( 2.847 -4.642 -11.174) 12.430 5.189 ( 12.779 0.466 -2.311) 12.995 5.299 ( 8.359 -0.552 -0.439) 8.389 5.375 ( 3.593 -5.275 -1.362) 6.526 5.431 ( -3.690 3.320 -4.485) 6.690 5.606 ( -3.951 1.477 1.803) 4.587 5.733 ( -0.131 -2.177 -4.460) 4.965 6.017 ( 3.699 -6.598 3.396) 8.292 6.160 ( -2.652 -8.000 -3.234) 9.028 6.191 ( 1.751 -0.623 7.560) 7.785 6.362 ( -3.049 3.275 4.778) 6.546 6.426 ( 3.642 10.845 6.795) 13.306 6.593 ( 15.603 -0.685 -0.614) 15.631 6.635 ( 7.504 0.079 -1.436) 7.640 6.707 ( 3.724 -2.849 3.312) 5.741 6.833 ( 10.691 3.500 1.168) 11.309 6.985 ( -1.365 0.420 1.701) 2.221 7.024 ( 2.395 -0.282 0.179) 2.418 7.231 ( -1.907 1.965 -9.363) 9.755 7.352 ( 3.605 -1.890 3.472) 5.350 7.432 ( 5.108 -2.422 -7.165) 9.126 7.544 ( -0.949 2.026 3.055) 3.787 7.631 ( 1.691 2.148 -9.089) 9.491 7.788 ( -3.515 2.024 3.653) 5.459 7.841 ( 11.624 -1.119 -4.411) 12.483 7.896 ( 3.028 4.133 1.998) 5.500 8.165 ( -4.477 2.083 8.218) 9.588 8.240 ( -1.826 1.801 5.176) 5.777 8.360 ( -7.043 0.926 -1.988) 7.377 8.399 ( 6.335 -2.894 -0.833) 7.015 8.481 ( -2.521 -4.379 5.943) 7.801 8.615 ( -6.634 -1.727 5.349) 8.695 8.703 ( -2.087 -2.748 3.936) 5.234 8.765 ( 2.140 -2.008 -4.898) 5.710 8.962 ( -10.933 4.153 0.690) 11.716 9.020 ( -10.347 6.494 -5.012) 13.205 9.258 ( 4.226 -1.465 -3.961) 5.975 9.338 ( 2.692 2.285 7.381) 8.183 9.537 ( -0.071 0.520 5.110) 5.137 9.698 ( 2.096 -4.678 3.573) 6.248 10.000 ( -3.029 -3.444 4.587) 6.486 10.003 ( 3.197 -4.375 -5.607) 7.798 10.288 ( -4.469 -3.161 -1.229) 5.611 10.310 ( -4.769 -2.900 2.440) 6.092 10.803 ( -6.272 6.377 -4.553) 10.036 11.031 ( -4.992 4.644 1.872) 7.070 11.361 ( 3.705 -3.237 2.145) 5.367 11.555 ( 5.586 -2.373 8.778) 10.672 11.613 ( -0.613 0.033 1.021) 1.192 11.705 ( 7.631 -0.491 5.631) 9.497 12.447 ( 0.943 -2.284 1.462) 2.871 12.467 ( 1.737 -0.059 1.633) 2.385 12.621 ( -0.797 -3.053 2.745) 4.182 12.693 ( 4.728 -1.193 -0.072) 4.877 12.858 ( -6.520 -1.135 1.260) 6.737 12.954 ( 0.019 -1.516 -9.574) 9.693 13.067 ( -3.066 -1.858 -4.254) 5.563 13.454 ( -1.013 -7.531 1.560) 7.758 14.078 ( -3.927 4.191 -2.689) 6.341 14.225 ( 0.633 3.272 -3.509) 4.840 14.316 ( 5.150 2.120 -0.505) 5.592 14.411 ( 7.451 6.927 -2.001) 10.368 15.079 ( 1.101 -0.195 -2.182) 2.452 15.097 ( -1.383 -1.693 2.008) 2.968 15.473 ( -0.622 1.235 -1.443) 1.999 15.522 ( -3.066 -2.994 1.272) 4.469 15.673 ( -9.641 -6.840 -4.613) 12.689 15.945 ( -3.903 -2.081 -4.415) 6.250 15.994 ( -1.806 -0.012 2.965) 3.472 16.127 ( -3.073 -12.168 2.439) 12.784 16.234 ( -2.120 3.988 -1.972) 4.929 16.381 ( -1.605 2.937 4.323) 5.467 16.446 ( -3.997 2.642 -0.178) 4.795 16.704 ( 0.882 -0.962 -0.251) 1.329 16.907 ( 0.656 -2.240 -0.129) 2.337 16.944 ( 0.564 3.494 -2.365) 4.256 17.070 ( -0.627 -5.378 7.637) 9.361 17.122 ( 5.772 1.918 0.830) 6.138 17.372 ( -0.768 3.735 -0.690) 3.875 17.377 ( -2.002 5.271 -3.418) 6.594 17.634 ( -6.629 1.138 3.677) 7.666 17.695 ( 1.429 -0.436 -7.277) 7.429 17.971 ( 4.054 -0.973 2.071) 4.656 18.153 ( 7.849 1.586 -0.864) 8.054 18.308 ( 5.280 -3.527 -0.064) 6.350 18.379 ( 6.137 -0.634 1.054) 6.259 18.816 ( -7.414 1.791 4.668) 8.942 18.868 ( -2.784 0.988 -2.081) 3.613 19.094 ( 0.371 1.178 -4.816) 4.971 19.131 ( -1.223 -1.317 0.134) 1.802 20.884 ( 0.029 3.316 -0.903) 3.437 20.903 ( -0.639 5.514 0.837) 5.613 21.073 ( -0.198 1.279 1.280) 1.820 21.152 ( 1.772 5.031 1.378) 5.509 21.420 ( 0.724 -0.271 -0.131) 0.784 21.425 ( 0.711 -0.433 0.335) 0.898 21.582 ( -0.999 -0.815 -1.118) 1.707 21.600 ( -1.409 -0.859 0.576) 1.748 26.801 ( -1.269 0.404 0.643) 1.478 26.814 ( -0.075 0.909 -1.011) 1.362 26.910 ( 0.386 -0.231 -1.208) 1.289 26.934 ( 0.170 -0.778 0.763) 1.103 27.646 ( -0.043 0.193 0.297) 0.356 27.653 ( 0.203 0.352 0.344) 0.533 27.744 ( 0.647 -0.564 0.105) 0.865 27.759 ( 1.343 -0.308 -0.350) 1.422 35.691 ( -3.224 1.851 2.179) 4.309 35.756 ( 2.197 2.116 -4.468) 5.410 36.130 ( -3.994 -1.885 -1.348) 4.617 36.177 ( -2.050 -0.368 -4.500) 4.958 37.256 ( 0.387 -1.895 -6.003) 6.307 37.320 ( -8.384 -2.176 -10.181) 13.367 37.350 ( -3.744 0.064 8.536) 9.321 37.499 ( -0.693 3.536 2.824) 4.578 37.520 ( 1.336 0.433 -1.872) 2.341 37.669 ( -10.679 0.961 0.843) 10.755 38.168 ( 7.720 -7.012 1.674) 10.563 38.249 ( 24.802 -9.639 -3.313) 26.814 38.563 ( -11.342 4.335 2.509) 12.399 39.411 ( 5.372 -8.667 3.521) 10.788 39.522 ( 8.669 0.879 8.294) 12.030 40.222 ( 16.351 -6.254 2.038) 17.625 ======================= Grid point 182 (87/100) ======================= q-point: ( 0.33 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 13.424 4.241 -12.934) 19.117 1.533 ( 9.434 7.103 -12.406) 17.127 1.821 ( 3.729 6.829 0.585) 7.803 1.846 ( 4.105 6.788 6.873) 10.496 2.031 ( -13.969 1.326 -0.224) 14.034 2.095 ( -10.414 2.667 1.314) 10.830 2.487 ( 18.614 5.589 -12.683) 23.208 2.568 ( 3.180 0.097 3.560) 4.774 2.777 ( -7.159 -3.917 -0.190) 8.162 2.908 ( -4.340 -0.632 -6.229) 7.618 3.113 ( -0.470 -2.137 4.282) 4.809 3.192 ( -1.778 -0.495 2.270) 2.925 3.651 ( 5.113 -2.692 1.381) 5.941 3.972 ( -3.189 -0.129 -6.661) 7.387 4.054 ( -10.772 0.996 1.704) 10.951 4.181 ( -3.717 6.718 3.319) 8.365 4.219 ( -2.292 -1.640 -6.052) 6.676 4.307 ( -4.574 -2.642 6.040) 8.024 4.413 ( 1.795 2.774 1.687) 3.710 4.611 ( -3.513 3.404 0.402) 4.908 4.703 ( -3.080 6.171 6.877) 9.740 4.756 ( -1.160 1.368 -0.146) 1.800 4.875 ( 0.068 0.843 -17.231) 17.252 5.028 ( -14.157 2.285 -9.807) 17.372 5.380 ( 5.551 0.867 -1.911) 5.935 5.484 ( 8.329 -3.908 -1.573) 9.334 5.557 ( -1.182 0.803 6.451) 6.607 5.712 ( 14.522 -1.089 8.867) 17.050 5.792 ( 3.921 -0.652 -0.712) 4.039 5.948 ( -9.339 0.681 -9.677) 13.466 6.009 ( -5.819 -2.019 -3.742) 7.207 6.210 ( -1.802 -2.355 -2.871) 4.128 6.442 ( 3.694 5.117 9.114) 11.086 6.580 ( 3.399 6.661 5.348) 9.194 6.691 ( 1.941 -3.036 -2.763) 4.541 6.779 ( -1.204 -2.069 2.462) 3.434 6.811 ( 3.823 -3.452 -4.416) 6.785 6.972 ( -0.553 1.443 -1.320) 2.032 6.987 ( 7.084 1.995 -0.143) 7.361 7.119 ( 13.374 1.395 4.546) 14.194 7.277 ( 4.701 -1.712 3.738) 6.245 7.441 ( 3.575 4.057 -14.378) 15.361 7.468 ( 0.338 -2.551 2.681) 3.717 7.580 ( 1.302 -3.417 2.539) 4.452 7.639 ( 4.850 -0.268 2.608) 5.513 7.661 ( 1.055 -1.702 -10.207) 10.402 7.859 ( -6.137 -3.233 2.217) 7.282 7.977 ( 0.787 1.645 -5.131) 5.445 8.094 ( -4.794 3.364 6.061) 8.428 8.265 ( -1.475 -2.843 1.401) 3.496 8.348 ( -2.693 0.176 -0.618) 2.769 8.420 ( -8.617 -2.647 -0.358) 9.021 8.526 ( 1.749 -4.209 2.342) 5.124 8.571 ( 3.439 2.663 13.358) 14.048 8.626 ( -3.197 3.798 -0.547) 4.995 8.837 ( 6.980 -2.126 0.008) 7.297 8.918 ( 5.356 2.320 2.120) 6.210 8.972 ( 2.520 5.012 7.243) 9.161 9.235 ( -2.373 -5.371 -5.839) 8.281 9.440 ( -10.728 -3.928 6.690) 13.239 9.503 ( 2.496 5.605 5.096) 7.976 9.704 ( 0.369 -4.514 -3.586) 5.777 9.928 ( -5.064 0.083 -1.015) 5.166 10.014 ( 0.652 -5.515 -2.525) 6.100 10.142 ( -8.800 -2.003 0.155) 9.026 10.225 ( -5.935 -4.145 1.113) 7.325 10.742 ( 1.623 7.460 -0.171) 7.636 10.921 ( -5.913 5.329 -1.330) 8.070 11.502 ( 7.107 -5.374 2.393) 9.226 11.604 ( -1.343 -1.849 2.275) 3.225 11.682 ( 4.874 0.458 5.089) 7.061 11.944 ( 1.925 -6.849 11.729) 13.718 12.501 ( 2.328 -2.511 3.239) 4.714 12.529 ( 2.477 0.097 2.347) 3.414 12.641 ( 0.422 -1.947 2.318) 3.057 12.750 ( -4.626 0.229 -0.337) 4.644 12.761 ( 0.999 -2.426 -2.355) 3.526 12.855 ( -0.086 2.198 -4.136) 4.684 13.017 ( -0.276 -2.929 -4.661) 5.512 13.189 ( -13.500 -1.884 -15.147) 20.377 14.082 ( 2.442 3.467 3.741) 5.655 14.206 ( 1.371 2.848 -4.661) 5.632 14.437 ( 8.215 -0.997 -2.748) 8.720 14.515 ( 2.745 4.123 2.114) 5.385 15.096 ( 1.879 -1.220 -0.668) 2.338 15.103 ( 0.450 -1.489 2.589) 3.020 15.406 ( -2.988 -2.839 -5.339) 6.745 15.474 ( 0.041 0.456 0.395) 0.604 15.543 ( -2.923 0.416 -2.068) 3.605 15.731 ( -13.145 0.824 1.342) 13.239 15.992 ( -1.348 -2.103 2.660) 3.649 16.055 ( -1.666 -4.979 -2.775) 5.939 16.311 ( 6.319 -1.868 0.949) 6.657 16.367 ( -2.432 1.190 1.678) 3.186 16.402 ( -0.888 3.343 -0.288) 3.471 16.632 ( -7.730 -1.982 1.541) 8.128 16.935 ( 1.596 -3.017 -0.040) 3.414 16.945 ( 0.862 1.937 -0.092) 2.122 17.109 ( -0.653 -1.506 5.540) 5.778 17.269 ( 2.436 -0.632 2.201) 3.343 17.290 ( -0.074 5.168 0.259) 5.175 17.406 ( 5.259 4.026 -3.219) 7.364 17.552 ( -4.635 0.925 1.764) 5.044 17.621 ( -1.729 1.336 -7.880) 8.178 18.111 ( 7.643 -1.196 1.370) 7.856 18.255 ( 2.750 0.504 0.585) 2.856 18.429 ( 7.315 -2.430 -1.200) 7.801 18.506 ( 6.956 -0.445 0.391) 6.981 18.716 ( -7.784 0.647 3.211) 8.445 18.758 ( -6.837 1.359 0.122) 6.972 19.060 ( 0.202 2.109 -2.813) 3.522 19.094 ( -1.485 0.035 -1.875) 2.392 20.880 ( 0.365 2.905 -0.676) 3.005 20.893 ( -0.877 4.580 0.448) 4.685 21.105 ( 1.460 0.863 1.918) 2.560 21.173 ( -0.527 3.833 0.513) 3.903 21.437 ( 0.560 -0.248 1.242) 1.384 21.452 ( 1.761 0.627 -0.258) 1.887 21.547 ( -1.230 -1.183 -1.310) 2.151 21.568 ( -1.935 -0.555 -0.217) 2.025 26.786 ( -1.262 0.491 1.380) 1.933 26.797 ( -0.100 0.895 -1.720) 1.942 26.913 ( 1.029 -0.431 -0.847) 1.401 26.938 ( -0.389 -0.940 0.378) 1.085 27.650 ( 0.053 0.226 0.574) 0.619 27.658 ( 0.071 0.339 0.072) 0.354 27.763 ( 0.872 -0.508 0.428) 1.096 27.777 ( 0.985 -0.312 -0.700) 1.248 35.666 ( -2.061 1.729 3.241) 4.212 35.726 ( 0.366 1.916 -5.872) 6.188 36.048 ( -1.994 -1.396 -2.230) 3.301 36.083 ( -2.113 0.038 -4.335) 4.823 37.202 ( 5.479 -0.058 -8.699) 10.281 37.260 ( 3.344 -2.284 -3.879) 5.607 37.333 ( -6.384 0.147 7.586) 9.916 37.436 ( -9.701 -1.274 4.939) 10.960 37.537 ( -0.014 4.784 4.899) 6.848 37.594 ( 2.777 4.158 -5.470) 7.411 38.272 ( 2.682 -3.986 1.656) 5.082 38.422 ( -4.799 2.692 -0.999) 5.593 38.624 ( 20.303 -8.022 -7.375) 23.042 39.145 ( -16.160 -2.829 3.348) 16.744 40.151 ( 16.790 -13.834 22.790) 31.507 40.465 ( 10.552 -10.209 -5.266) 15.599 ======================= Grid point 183 (88/100) ======================= q-point: (-0.50 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 0.392 3.637 -3.189) 4.853 1.543 ( -0.392 3.637 3.189) 4.853 1.845 ( 1.876 4.367 -3.822) 6.099 1.845 ( -1.876 4.367 3.822) 6.099 1.964 ( -2.137 6.379 -1.419) 6.875 1.964 ( 2.137 6.379 1.419) 6.875 2.643 ( 0.827 -3.554 -4.829) 6.052 2.643 ( -0.827 -3.554 4.829) 6.052 2.738 ( -7.112 3.412 -2.816) 8.375 2.738 ( 7.112 3.412 2.816) 8.375 3.150 ( -0.630 -1.338 -2.576) 2.971 3.150 ( 0.630 -1.338 2.576) 2.971 3.833 ( -10.693 -1.168 -1.609) 10.876 3.833 ( 10.693 -1.168 1.609) 10.876 3.973 ( -7.708 1.217 -1.177) 7.891 3.973 ( 7.708 1.217 1.177) 7.891 4.300 ( -2.413 0.027 -1.027) 2.623 4.300 ( 2.413 0.027 1.027) 2.623 4.520 ( 0.163 5.113 -7.807) 9.334 4.520 ( -0.163 5.113 7.807) 9.334 4.724 ( 1.367 3.427 -7.016) 7.927 4.724 ( -1.367 3.427 7.016) 7.927 4.809 ( 3.965 2.731 -5.539) 7.339 4.809 ( -3.965 2.731 5.539) 7.339 5.526 ( 1.554 -0.035 -6.761) 6.937 5.526 ( -1.554 -0.035 6.761) 6.937 5.636 ( -7.936 -3.354 -7.701) 11.556 5.636 ( 7.936 -3.354 7.701) 11.556 5.869 ( -2.314 2.441 -2.096) 3.963 5.869 ( 2.314 2.441 2.096) 3.963 6.051 ( -7.828 -0.370 -7.091) 10.568 6.051 ( 7.828 -0.370 7.091) 10.568 6.587 ( -2.848 1.620 -4.883) 5.880 6.587 ( 2.848 1.620 4.883) 5.880 6.705 ( 0.443 3.036 -4.890) 5.773 6.705 ( -0.443 3.036 4.890) 5.773 6.910 ( -5.082 -2.625 -1.179) 5.840 6.910 ( 5.082 -2.625 1.179) 5.840 7.177 ( 6.637 0.471 -11.758) 13.510 7.177 ( -6.637 0.471 11.758) 13.510 7.373 ( -0.688 0.772 -3.174) 3.338 7.373 ( 0.688 0.772 3.174) 3.338 7.532 ( -0.951 -3.854 -3.967) 5.612 7.532 ( 0.951 -3.854 3.967) 5.612 7.715 ( 6.236 -2.259 -3.513) 7.506 7.715 ( -6.236 -2.259 3.513) 7.506 7.828 ( -5.486 -3.018 -7.913) 10.090 7.828 ( 5.486 -3.018 7.913) 10.090 8.163 ( -4.564 7.553 -4.015) 9.695 8.163 ( 4.564 7.553 4.015) 9.695 8.317 ( 2.429 -3.347 -5.158) 6.611 8.317 ( -2.429 -3.347 5.158) 6.611 8.563 ( -1.663 2.635 -2.009) 3.708 8.563 ( 1.663 2.635 2.009) 3.708 8.837 ( -6.140 -4.397 -4.864) 8.983 8.837 ( 6.140 -4.397 4.864) 8.983 9.071 ( -5.408 -2.557 -8.646) 10.514 9.071 ( 5.408 -2.557 8.646) 10.514 9.207 ( -13.835 0.216 -0.867) 13.864 9.207 ( 13.835 0.216 0.867) 13.864 9.636 ( -3.225 1.004 -5.391) 6.362 9.636 ( 3.225 1.004 5.391) 6.362 9.910 ( -3.829 -0.719 -1.826) 4.302 9.910 ( 3.829 -0.719 1.826) 4.302 10.124 ( 3.298 -5.088 -2.901) 6.721 10.124 ( -3.298 -5.088 2.901) 6.721 10.809 ( -4.109 6.413 -1.775) 7.820 10.809 ( 4.109 6.413 1.775) 7.820 11.590 ( 1.451 -2.698 -2.146) 3.740 11.590 ( -1.451 -2.698 2.146) 3.740 11.898 ( -9.012 -6.140 -3.748) 11.531 11.898 ( 9.012 -6.140 3.748) 11.531 12.568 ( -0.438 -1.538 -1.628) 2.282 12.568 ( 0.438 -1.538 1.628) 2.282 12.696 ( -0.934 0.376 -2.763) 2.940 12.696 ( 0.934 0.376 2.763) 2.940 12.747 ( -5.503 0.191 -1.245) 5.645 12.747 ( 5.503 0.191 1.245) 5.645 12.989 ( -1.726 -0.440 -1.550) 2.361 12.989 ( 1.726 -0.440 1.550) 2.361 14.167 ( -0.707 2.670 -5.550) 6.199 14.167 ( 0.707 2.670 5.550) 6.199 14.528 ( 5.024 -0.108 -6.143) 7.936 14.528 ( -5.024 -0.108 6.143) 7.936 15.127 ( 3.422 -0.771 -6.788) 7.641 15.127 ( -3.422 -0.771 6.788) 7.641 15.393 ( -2.154 -0.203 -2.186) 3.076 15.393 ( 2.154 -0.203 2.186) 3.076 15.568 ( -4.860 0.416 -0.350) 4.890 15.568 ( 4.860 0.416 0.350) 4.890 16.009 ( 0.940 -2.285 -4.114) 4.799 16.009 ( -0.940 -2.285 4.114) 4.799 16.355 ( -0.638 0.907 -0.762) 1.346 16.355 ( 0.638 0.907 0.762) 1.346 16.484 ( -7.857 -2.330 -0.279) 8.200 16.484 ( 7.857 -2.330 0.279) 8.200 16.954 ( 1.130 -0.898 -2.629) 2.999 16.954 ( -1.130 -0.898 2.629) 2.999 17.176 ( -0.579 1.395 -8.188) 8.326 17.176 ( 0.579 1.395 8.188) 8.326 17.439 ( 0.704 1.510 -10.854) 10.981 17.439 ( -0.704 1.510 10.854) 10.981 17.509 ( 3.094 2.539 -4.970) 6.381 17.509 ( -3.094 2.539 4.970) 6.381 18.240 ( -4.276 -0.859 -0.495) 4.389 18.240 ( 4.276 -0.859 0.495) 4.389 18.569 ( -7.994 -0.571 -0.368) 8.023 18.569 ( 7.994 -0.571 0.368) 8.023 18.641 ( 3.262 0.581 -5.187) 6.155 18.641 ( -3.262 0.581 5.187) 6.155 19.057 ( -0.709 1.658 -0.647) 1.915 19.057 ( 0.709 1.658 0.647) 1.915 20.884 ( 0.588 3.412 -0.533) 3.503 20.884 ( -0.588 3.412 0.533) 3.503 21.150 ( 0.621 1.960 -3.273) 3.865 21.150 ( -0.621 1.960 3.273) 3.865 21.462 ( -0.138 0.523 -1.459) 1.556 21.462 ( 0.138 0.523 1.459) 1.556 21.535 ( -0.664 -0.976 -0.239) 1.204 21.535 ( 0.664 -0.976 0.239) 1.204 26.784 ( 0.913 0.750 -2.321) 2.604 26.784 ( -0.913 0.750 2.321) 2.604 26.928 ( 0.431 -0.777 -0.491) 1.015 26.928 ( -0.431 -0.777 0.491) 1.015 27.657 ( -0.034 0.292 -0.426) 0.517 27.657 ( 0.034 0.292 0.426) 0.517 27.779 ( 0.062 -0.404 -0.894) 0.983 27.779 ( -0.062 -0.404 0.894) 0.983 35.679 ( 0.697 1.757 -4.892) 5.244 35.679 ( -0.697 1.757 4.892) 5.244 36.030 ( 1.329 -0.597 -3.108) 3.433 36.030 ( -1.329 -0.597 3.108) 3.433 37.266 ( 8.030 -0.054 -8.069) 11.384 37.266 ( -8.030 -0.054 8.069) 11.384 37.319 ( 6.339 -1.366 -3.426) 7.334 37.319 ( -6.339 -1.366 3.426) 7.334 37.581 ( 1.545 4.876 -6.150) 7.999 37.581 ( -1.545 4.876 6.150) 7.999 38.336 ( 3.045 -0.521 -9.290) 9.790 38.336 ( -3.045 -0.521 9.290) 9.790 38.895 ( 8.058 -5.221 -9.505) 13.511 38.895 ( -8.058 -5.221 9.505) 13.511 40.481 ( 1.264 -13.749 -15.963) 21.106 40.481 ( -1.264 -13.749 15.963) 21.106 ======================= Grid point 187 (89/100) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -1.239 10.377 -13.079) 16.742 1.623 ( 1.239 10.377 13.079) 16.742 1.763 ( 3.213 9.089 -11.145) 14.736 1.763 ( -3.213 9.089 11.145) 14.736 2.315 ( 2.524 0.187 -2.384) 3.477 2.315 ( -2.524 0.187 2.384) 3.477 2.515 ( 4.313 5.565 -6.433) 9.537 2.515 ( -4.313 5.565 6.433) 9.537 2.946 ( -4.339 -6.501 -0.375) 7.825 2.946 ( 4.339 -6.501 0.375) 7.825 3.050 ( 2.413 -0.080 -5.228) 5.759 3.050 ( -2.413 -0.080 5.228) 5.759 3.740 ( -5.716 0.322 -10.459) 11.923 3.740 ( 5.716 0.322 10.459) 11.923 4.330 ( 3.524 0.496 -8.687) 9.388 4.330 ( -3.524 0.496 8.687) 9.388 4.493 ( -4.366 2.785 -3.689) 6.358 4.493 ( 4.366 2.785 3.689) 6.358 4.673 ( -4.954 -0.030 -6.574) 8.232 4.673 ( 4.954 -0.030 6.574) 8.232 4.842 ( -0.978 -4.190 -4.942) 6.553 4.842 ( 0.978 -4.190 4.942) 6.553 5.070 ( -3.496 -0.915 -8.541) 9.274 5.070 ( 3.496 -0.915 8.541) 9.274 5.305 ( 0.769 3.495 -3.592) 5.070 5.305 ( -0.769 3.495 3.592) 5.070 5.529 ( -6.161 -1.036 -5.857) 8.564 5.529 ( 6.161 -1.036 5.857) 8.564 5.840 ( -8.965 -4.224 -8.348) 12.958 5.840 ( 8.965 -4.224 8.348) 12.958 5.944 ( -5.230 -6.890 -3.358) 9.279 5.944 ( 5.230 -6.890 3.358) 9.279 6.386 ( -2.243 -2.351 -6.077) 6.891 6.386 ( 2.243 -2.351 6.077) 6.891 6.537 ( 2.325 2.605 -5.610) 6.608 6.537 ( -2.325 2.605 5.610) 6.608 6.791 ( -1.518 7.798 -4.349) 9.057 6.791 ( 1.518 7.798 4.349) 9.057 7.112 ( -3.478 9.206 -2.972) 10.280 7.112 ( 3.478 9.206 2.972) 10.280 7.252 ( 1.440 -2.074 -6.103) 6.604 7.252 ( -1.440 -2.074 6.103) 6.604 7.569 ( -5.521 3.085 -6.169) 8.835 7.569 ( 5.521 3.085 6.169) 8.835 7.693 ( -1.261 -1.648 -4.729) 5.165 7.693 ( 1.261 -1.648 4.729) 5.165 7.864 ( 4.592 4.350 -11.321) 12.969 7.864 ( -4.592 4.350 11.321) 12.969 8.217 ( -2.909 -2.717 -1.186) 4.154 8.217 ( 2.909 -2.717 1.186) 4.154 8.350 ( 0.645 -2.492 -0.984) 2.756 8.350 ( -0.645 -2.492 0.984) 2.756 8.496 ( -2.824 -4.478 -9.013) 10.453 8.496 ( 2.824 -4.478 9.013) 10.453 8.802 ( -2.856 7.570 0.328) 8.097 8.802 ( 2.856 7.570 -0.328) 8.097 9.128 ( -0.785 -1.328 -5.816) 6.017 9.128 ( 0.785 -1.328 5.816) 6.017 9.339 ( -5.291 3.262 -4.628) 7.749 9.339 ( 5.291 3.262 4.628) 7.749 9.560 ( -2.061 1.781 -5.673) 6.293 9.560 ( 2.061 1.781 5.673) 6.293 9.887 ( 1.975 -6.083 -7.682) 9.996 9.887 ( -1.975 -6.083 7.682) 9.996 10.258 ( 0.552 -5.286 -3.546) 6.389 10.258 ( -0.552 -5.286 3.546) 6.389 11.023 ( -4.233 -1.819 -2.525) 5.254 11.023 ( 4.233 -1.819 2.525) 5.254 11.379 ( -3.419 3.316 -3.202) 5.739 11.379 ( 3.419 3.316 3.202) 5.739 11.605 ( 1.375 -2.041 -1.399) 2.831 11.605 ( -1.375 -2.041 1.399) 2.831 12.429 ( -1.014 0.754 -1.356) 1.853 12.429 ( 1.014 0.754 1.356) 1.853 12.584 ( -2.490 -1.765 -0.155) 3.056 12.584 ( 2.490 -1.765 0.155) 3.056 12.902 ( 3.215 -2.390 -5.571) 6.861 12.902 ( -3.215 -2.390 5.571) 6.861 13.180 ( -5.852 -5.611 -5.297) 9.685 13.180 ( 5.852 -5.611 5.297) 9.685 14.243 ( -1.200 2.567 -3.562) 4.552 14.243 ( 1.200 2.567 3.562) 4.552 14.469 ( -2.657 9.044 -0.735) 9.455 14.469 ( 2.657 9.044 0.735) 9.455 15.069 ( 0.869 -1.849 -1.727) 2.676 15.069 ( -0.869 -1.849 1.727) 2.676 15.487 ( 0.338 -2.747 -4.506) 5.289 15.487 ( -0.338 -2.747 4.506) 5.289 15.711 ( -5.433 -9.685 -1.999) 11.284 15.711 ( 5.433 -9.685 1.999) 11.284 16.018 ( -1.094 0.552 -2.530) 2.811 16.018 ( 1.094 0.552 2.530) 2.811 16.389 ( -2.604 1.968 -3.228) 4.591 16.389 ( 2.604 1.968 3.228) 4.591 16.583 ( -3.902 -0.177 -2.104) 4.437 16.583 ( 3.902 -0.177 2.104) 4.437 16.872 ( -2.589 -5.295 -3.874) 7.053 16.872 ( 2.589 -5.295 3.874) 7.053 17.107 ( -1.784 5.041 -1.238) 5.489 17.107 ( 1.784 5.041 1.238) 5.489 17.472 ( -0.730 2.833 -1.274) 3.191 17.472 ( 0.730 2.833 1.274) 3.191 17.713 ( 3.830 0.188 -4.984) 6.288 17.713 ( -3.830 0.188 4.984) 6.288 17.987 ( -9.002 0.041 0.290) 9.007 17.987 ( 9.002 0.041 -0.290) 9.007 18.252 ( -1.387 -1.778 -0.858) 2.413 18.252 ( 1.387 -1.778 0.858) 2.413 18.920 ( 2.109 1.821 -2.832) 3.973 18.920 ( -2.109 1.821 2.832) 3.973 19.118 ( 1.105 -0.368 -1.864) 2.198 19.118 ( -1.105 -0.368 1.864) 2.198 20.993 ( -0.964 4.936 -1.973) 5.402 20.993 ( 0.964 4.936 1.973) 5.402 21.186 ( -1.832 4.872 -3.643) 6.353 21.186 ( 1.832 4.872 3.643) 6.353 21.401 ( 0.325 -1.139 -0.761) 1.408 21.401 ( -0.325 -1.139 0.761) 1.408 21.576 ( -0.156 -1.850 -0.350) 1.889 21.576 ( 0.156 -1.850 0.350) 1.889 26.832 ( 0.891 0.922 -1.422) 1.914 26.832 ( -0.891 0.922 1.422) 1.914 26.909 ( 0.351 -0.672 -1.272) 1.481 26.909 ( -0.351 -0.672 1.272) 1.481 27.654 ( -0.003 0.488 -0.454) 0.667 27.654 ( 0.003 0.488 0.454) 0.667 27.731 ( 0.073 -0.623 -0.204) 0.660 27.731 ( -0.073 -0.623 0.204) 0.660 35.792 ( 3.999 3.830 -3.183) 6.387 35.792 ( -3.999 3.830 3.183) 6.387 36.157 ( 3.445 -2.955 -1.622) 4.820 36.157 ( -3.445 -2.955 1.622) 4.820 37.289 ( 0.021 -0.929 -8.840) 8.889 37.289 ( -0.021 -0.929 8.840) 8.889 37.520 ( -5.399 -3.579 -5.375) 8.418 37.520 ( 5.399 -3.579 5.375) 8.418 37.623 ( -8.105 -2.483 -7.293) 11.182 37.623 ( 8.105 -2.483 7.293) 11.182 37.863 ( -7.043 -0.858 -1.388) 7.230 37.863 ( 7.043 -0.858 1.388) 7.230 38.877 ( -1.659 -0.461 -16.923) 17.010 38.877 ( 1.659 -0.461 16.923) 17.010 39.774 ( -13.213 -4.985 -6.235) 15.438 39.774 ( 13.213 -4.985 6.235) 15.438 ======================= Grid point 189 (90/100) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 2.041 10.915 -9.450) 14.581 1.670 ( 2.931 7.111 -6.996) 10.397 1.809 ( 2.877 6.283 8.206) 10.728 1.916 ( 8.240 11.493 -0.640) 14.157 2.220 ( -6.276 -1.625 3.004) 7.145 2.337 ( -11.982 3.304 -0.116) 12.430 2.432 ( 8.234 3.077 -2.781) 9.219 2.579 ( 7.425 7.643 -10.450) 14.925 2.820 ( -8.187 -6.641 1.590) 10.661 2.968 ( -1.718 -3.069 -1.975) 4.033 3.048 ( 1.291 0.180 0.430) 1.373 3.110 ( 5.619 -2.566 -1.637) 6.390 3.591 ( -2.191 -1.214 -4.600) 5.238 3.966 ( 4.833 -0.952 8.008) 9.402 4.233 ( -6.785 2.687 -0.234) 7.302 4.252 ( -4.545 1.442 3.660) 6.011 4.339 ( -6.522 1.037 -6.098) 8.989 4.487 ( -12.632 0.262 3.309) 13.061 4.542 ( -3.944 2.173 -1.597) 4.778 4.705 ( -0.429 3.594 -1.773) 4.031 4.834 ( -1.341 -3.021 -2.895) 4.394 4.866 ( -2.915 5.556 -6.395) 8.959 5.000 ( 5.409 -0.340 -2.852) 6.125 5.148 ( 7.473 -5.511 -0.210) 9.288 5.262 ( -1.079 -1.648 -7.863) 8.106 5.352 ( 4.540 2.439 -0.741) 5.207 5.503 ( 4.954 2.485 -0.237) 5.547 5.630 ( -1.211 1.932 2.574) 3.439 5.707 ( 0.707 -1.026 -3.445) 3.663 5.877 ( 3.038 -6.405 6.296) 9.481 5.981 ( 1.338 -8.487 -4.000) 9.477 6.180 ( 3.653 -1.322 7.056) 8.054 6.381 ( 9.675 -1.404 -0.159) 9.778 6.513 ( 4.641 -3.392 3.695) 6.834 6.588 ( 5.124 4.704 2.246) 7.309 6.648 ( 2.513 -4.056 10.114) 11.183 6.797 ( 4.954 9.817 -2.048) 11.185 6.913 ( 6.066 -0.272 0.681) 6.110 6.952 ( -5.649 7.165 -0.070) 9.124 7.079 ( -1.710 1.909 -3.409) 4.265 7.274 ( -3.639 1.470 -7.418) 8.393 7.345 ( 1.822 1.342 2.445) 3.331 7.378 ( 6.644 1.094 -3.003) 7.373 7.573 ( -2.551 0.865 1.771) 3.223 7.715 ( 4.606 4.667 -7.586) 10.027 7.768 ( -2.985 -2.765 0.143) 4.071 7.897 ( -0.985 3.666 0.948) 3.912 7.973 ( 8.790 4.287 -2.738) 10.155 8.174 ( -3.786 -0.335 4.069) 5.568 8.232 ( -3.472 -6.156 -4.589) 8.426 8.259 ( 1.626 -3.512 2.344) 4.525 8.406 ( -1.187 -0.799 5.151) 5.346 8.417 ( 0.986 -2.574 -1.746) 3.263 8.547 ( -1.553 -5.243 4.381) 7.006 8.751 ( -3.934 8.374 6.601) 11.366 8.804 ( -0.057 5.490 -4.094) 6.848 9.026 ( -4.804 2.488 2.775) 6.080 9.111 ( -8.419 1.258 -3.647) 9.261 9.241 ( -0.595 0.823 -0.131) 1.024 9.387 ( -3.362 1.809 5.164) 6.422 9.562 ( 3.060 1.221 1.557) 3.644 9.595 ( -2.717 -3.698 2.810) 5.381 9.852 ( 0.127 -7.968 -0.492) 7.984 9.958 ( 0.770 -2.990 1.515) 3.439 10.203 ( -3.167 -5.549 -1.563) 6.577 10.241 ( -5.419 -4.531 4.089) 8.162 10.902 ( -3.972 2.984 -1.149) 5.099 11.077 ( -1.063 -1.321 -0.871) 1.906 11.338 ( 0.829 1.956 0.234) 2.137 11.511 ( 2.631 -1.433 6.967) 7.584 11.607 ( 0.209 -1.211 2.553) 2.834 11.661 ( 5.173 -3.564 1.651) 6.496 12.415 ( 0.515 -0.321 0.421) 0.738 12.482 ( 2.780 1.940 0.824) 3.489 12.570 ( 0.209 -2.015 1.630) 2.601 12.658 ( 3.308 -1.947 2.300) 4.474 12.826 ( -4.397 -2.017 -0.454) 4.859 12.930 ( 2.398 -0.610 -5.568) 6.093 13.015 ( -4.787 -3.440 -3.361) 6.786 13.291 ( 0.849 -8.385 -2.424) 8.770 14.171 ( -1.204 4.913 -3.486) 6.143 14.290 ( 1.535 2.458 -0.260) 2.909 14.393 ( -1.359 6.190 -0.839) 6.393 14.565 ( 4.777 7.863 -1.141) 9.271 15.040 ( -1.320 -2.913 0.842) 3.307 15.078 ( 0.712 -0.879 -2.656) 2.887 15.410 ( -4.335 -5.928 -1.236) 7.447 15.499 ( -1.428 0.098 2.354) 2.755 15.607 ( -1.773 -1.697 -3.238) 4.063 15.829 ( 4.662 -13.337 -0.522) 14.138 15.898 ( -8.613 -2.434 0.455) 8.962 16.030 ( -3.835 1.608 1.611) 4.460 16.302 ( -1.367 2.958 -1.976) 3.811 16.422 ( -1.274 1.132 0.917) 1.935 16.505 ( -2.891 2.731 1.297) 4.184 16.683 ( -1.480 -1.139 2.796) 3.362 16.822 ( 1.919 -4.090 -1.120) 4.654 16.965 ( 1.354 -4.812 7.364) 8.900 17.066 ( -1.036 6.594 -2.086) 6.993 17.166 ( 4.444 1.888 0.157) 4.831 17.433 ( -0.171 2.534 -1.888) 3.165 17.492 ( -0.735 5.720 -1.527) 5.966 17.631 ( -5.968 -1.554 0.054) 6.167 17.695 ( 0.541 0.537 -3.898) 3.972 17.955 ( 4.339 -0.316 1.120) 4.492 18.190 ( 8.290 2.103 0.019) 8.552 18.229 ( 3.346 -4.407 0.911) 5.607 18.356 ( 6.195 -1.607 0.475) 6.417 18.854 ( -6.188 1.910 1.889) 6.747 18.890 ( -3.882 1.133 -0.833) 4.129 19.114 ( -0.334 -0.155 0.016) 0.368 19.120 ( 1.192 1.183 -2.674) 3.158 20.963 ( -0.304 4.496 -1.570) 4.772 21.025 ( 0.043 6.362 1.041) 6.447 21.114 ( -1.968 2.752 0.132) 3.386 21.249 ( 0.164 4.019 2.474) 4.722 21.404 ( 0.344 -1.670 0.364) 1.743 21.417 ( 1.852 -0.222 0.055) 1.866 21.562 ( -1.130 -1.137 -0.248) 1.622 21.574 ( -1.040 -1.703 0.767) 2.138 26.814 ( -1.392 0.909 0.770) 1.832 26.834 ( 0.103 1.034 -1.100) 1.513 26.904 ( 0.437 -0.392 -1.248) 1.380 26.915 ( -0.193 -1.091 0.760) 1.344 27.652 ( 0.093 0.496 0.010) 0.505 27.661 ( 0.227 0.456 0.300) 0.591 27.733 ( 0.583 -0.555 0.220) 0.835 27.748 ( 1.293 -0.760 -0.282) 1.526 35.744 ( -3.727 3.505 2.624) 5.749 35.815 ( 2.514 3.890 -5.375) 7.096 36.081 ( -4.510 -3.061 -0.327) 5.460 36.154 ( -0.128 -2.090 -5.705) 6.077 37.218 ( 0.671 -1.836 -5.859) 6.176 37.264 ( -4.228 -3.210 -10.720) 11.963 37.354 ( -3.367 0.485 9.125) 9.738 37.525 ( -4.976 0.272 2.241) 5.464 37.590 ( -0.190 4.303 3.259) 5.401 37.689 ( -0.950 1.163 -0.681) 1.649 38.044 ( 14.524 -6.477 -0.875) 15.927 38.071 ( 15.498 -5.602 3.328) 16.812 38.625 ( -8.405 2.050 -4.332) 9.675 39.193 ( 5.512 -12.339 4.368) 14.203 39.545 ( -0.590 1.145 2.786) 3.069 40.055 ( 10.501 -10.203 3.927) 15.159 ======================= Grid point 190 (91/100) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 8.792 8.208 -8.003) 14.447 1.687 ( 6.781 7.806 -8.926) 13.659 1.923 ( -0.583 2.659 6.787) 7.313 1.997 ( 2.770 8.033 -1.618) 8.650 2.090 ( -9.984 4.346 -1.825) 11.041 2.133 ( -6.455 0.586 3.182) 7.221 2.542 ( 1.469 -0.906 2.893) 3.369 2.661 ( 3.618 6.113 -6.575) 9.679 2.699 ( 2.343 -0.560 -1.615) 2.900 2.904 ( -1.244 1.077 -4.136) 4.451 3.077 ( 0.244 -1.410 2.286) 2.696 3.172 ( 0.871 -1.599 -1.589) 2.417 3.593 ( 6.953 -2.500 -1.314) 7.505 3.951 ( -2.712 -2.691 -4.456) 5.870 4.090 ( -13.716 1.798 0.594) 13.846 4.176 ( -8.125 -2.129 -1.049) 8.465 4.271 ( 2.719 2.446 2.834) 4.627 4.380 ( -4.473 9.564 2.686) 10.895 4.456 ( 1.767 2.030 4.224) 5.009 4.661 ( -0.162 0.747 -6.189) 6.236 4.765 ( -3.069 2.189 1.644) 4.112 4.869 ( 1.533 8.616 3.122) 9.291 4.937 ( 2.014 6.001 -8.710) 10.767 5.075 ( -7.546 2.234 -10.120) 12.820 5.380 ( 7.312 -4.270 4.613) 9.642 5.427 ( 5.630 -2.591 -2.946) 6.862 5.571 ( 0.376 3.067 -0.612) 3.150 5.725 ( 6.784 4.661 6.645) 10.578 5.769 ( 5.940 -1.612 -0.928) 6.224 5.894 ( -4.250 -6.906 -6.027) 10.103 5.981 ( -1.445 -1.590 3.045) 3.727 6.163 ( -0.410 -0.934 -3.105) 3.268 6.563 ( 3.214 3.756 6.102) 7.853 6.614 ( 1.487 -2.431 -0.016) 2.850 6.715 ( 4.150 0.271 0.905) 4.256 6.751 ( -4.189 3.665 -1.246) 5.704 6.787 ( 7.095 1.822 2.365) 7.697 6.971 ( 3.418 -1.360 0.938) 3.797 7.034 ( -2.318 0.168 0.805) 2.459 7.100 ( 13.142 -0.723 -0.338) 13.166 7.225 ( 3.743 -4.958 4.652) 7.761 7.426 ( -2.177 -0.358 -1.755) 2.819 7.483 ( 4.893 -2.296 1.724) 5.673 7.526 ( 1.873 1.207 -8.921) 9.195 7.604 ( -7.593 0.318 -4.639) 8.904 7.734 ( 5.396 5.810 -8.531) 11.647 7.809 ( -7.556 -0.465 4.108) 8.613 7.955 ( -7.046 -3.264 -4.943) 9.205 8.156 ( -0.288 2.322 8.049) 8.382 8.229 ( 5.117 -1.784 -1.997) 5.775 8.291 ( -4.330 -4.055 2.186) 6.322 8.406 ( 4.318 -2.405 3.277) 5.930 8.465 ( 0.205 1.002 0.962) 1.404 8.694 ( -1.286 4.273 3.548) 5.701 8.701 ( -2.239 5.598 1.247) 6.157 8.787 ( 5.926 -0.585 0.028) 5.955 8.953 ( -0.377 0.048 2.092) 2.127 9.066 ( -2.426 3.985 5.617) 7.302 9.149 ( -3.669 -1.523 -5.571) 6.842 9.348 ( -7.416 -4.724 5.980) 10.634 9.589 ( -0.236 -2.995 -0.646) 3.073 9.598 ( 0.545 -0.148 3.476) 3.522 9.875 ( 1.027 -6.546 1.967) 6.912 9.917 ( -2.546 -2.186 -2.700) 4.307 10.104 ( -8.557 -2.665 2.669) 9.352 10.145 ( -5.601 -4.011 -0.311) 6.896 10.877 ( 1.249 5.482 0.204) 5.626 11.006 ( -3.350 2.264 -2.655) 4.837 11.418 ( 5.600 -2.210 2.190) 6.406 11.555 ( -1.158 -2.632 2.252) 3.653 11.663 ( 2.551 -2.388 3.318) 4.819 11.787 ( 1.257 -8.158 5.371) 9.848 12.458 ( 2.422 -1.336 2.426) 3.680 12.537 ( 1.816 0.688 0.620) 2.039 12.616 ( 3.020 -0.841 1.396) 3.431 12.701 ( -0.921 -2.689 0.724) 2.933 12.758 ( -2.608 0.088 0.275) 2.624 12.887 ( -2.379 0.257 -2.754) 3.648 12.952 ( 0.991 -2.649 -3.853) 4.780 13.139 ( -6.673 -2.923 -10.851) 13.070 14.173 ( 2.541 5.313 0.691) 5.930 14.286 ( -0.522 4.896 -2.105) 5.355 14.425 ( 5.703 0.087 -2.081) 6.071 14.597 ( -1.841 3.384 1.011) 3.983 15.057 ( 1.287 -2.081 1.913) 3.105 15.075 ( 2.789 -1.629 -2.512) 4.092 15.349 ( -0.688 -2.113 -0.778) 2.355 15.500 ( -1.473 1.187 1.116) 2.197 15.547 ( -0.948 0.010 -3.333) 3.466 15.699 ( -11.698 -3.632 3.356) 12.700 15.901 ( 3.758 -8.633 -2.612) 9.771 15.966 ( -3.433 -1.088 1.741) 4.000 16.316 ( 3.054 1.791 -0.684) 3.606 16.385 ( -2.007 0.295 -0.229) 2.041 16.455 ( -3.475 1.907 0.686) 4.023 16.590 ( -7.906 -1.805 1.535) 8.253 16.898 ( 3.869 -0.002 1.575) 4.177 17.024 ( -1.032 5.117 -2.241) 5.681 17.073 ( 2.083 -1.992 7.868) 8.379 17.256 ( 1.708 -0.829 -0.077) 1.900 17.390 ( -0.637 4.515 0.574) 4.596 17.485 ( 2.757 3.766 -2.573) 5.330 17.558 ( -0.696 -0.183 -3.037) 3.121 17.649 ( -2.476 1.146 -3.274) 4.262 18.092 ( 7.886 -0.515 0.793) 7.943 18.245 ( 0.989 -1.782 0.786) 2.184 18.397 ( 9.503 -0.564 -0.632) 9.540 18.483 ( 6.123 -1.686 2.169) 6.711 18.735 ( -7.325 1.100 -0.578) 7.429 18.780 ( -7.380 0.701 1.053) 7.487 19.106 ( -0.159 1.244 -0.644) 1.410 19.110 ( 0.316 2.616 -2.015) 3.317 20.954 ( 0.591 4.344 -0.917) 4.479 21.000 ( -2.130 5.915 -0.069) 6.287 21.134 ( 1.918 1.808 1.762) 3.171 21.240 ( -2.276 2.377 0.679) 3.361 21.422 ( 1.063 -1.452 0.962) 2.041 21.467 ( 2.686 0.496 0.473) 2.772 21.522 ( -2.289 -1.014 -1.148) 2.754 21.554 ( -1.807 -0.651 0.639) 2.025 26.801 ( -1.091 1.037 1.513) 2.135 26.819 ( -0.051 1.203 -1.775) 2.145 26.903 ( 0.698 -0.592 -1.019) 1.370 26.915 ( -0.433 -1.268 0.503) 1.431 27.657 ( 0.159 0.489 0.425) 0.668 27.666 ( 0.156 0.436 -0.131) 0.481 27.751 ( 0.916 -0.616 0.333) 1.153 27.766 ( 0.811 -0.813 -0.402) 1.216 35.715 ( -2.394 3.262 3.721) 5.497 35.780 ( 0.505 3.525 -6.763) 7.643 36.013 ( -2.186 -2.260 0.200) 3.151 36.072 ( -1.182 -1.275 -6.526) 6.753 37.197 ( 6.045 -0.484 -8.575) 10.502 37.219 ( 3.938 -1.792 -3.529) 5.583 37.336 ( -6.378 0.264 6.766) 9.302 37.411 ( -10.370 -1.145 6.816) 12.462 37.647 ( 3.954 5.813 0.074) 7.030 37.711 ( 1.582 7.702 -0.154) 7.864 38.204 ( 6.135 -2.947 1.206) 6.912 38.434 ( 14.676 -8.884 -1.557) 17.226 38.460 ( -1.576 -0.118 -3.678) 4.004 39.033 ( -14.350 -8.919 -0.657) 16.908 39.872 ( 13.907 -12.317 14.450) 23.535 40.212 ( 4.636 -14.494 -2.116) 15.364 ======================= Grid point 191 (92/100) ======================= q-point: (-0.50 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -3.021 6.432 -1.053) 7.184 1.648 ( 3.021 6.432 1.053) 7.184 1.949 ( -0.014 5.521 -4.433) 7.080 1.949 ( 0.014 5.521 4.433) 7.080 2.065 ( -0.691 2.800 -1.170) 3.112 2.065 ( 0.691 2.800 1.170) 3.112 2.579 ( -0.944 -2.458 -3.362) 4.271 2.579 ( 0.944 -2.458 3.362) 4.271 2.828 ( -0.761 5.541 -4.510) 7.185 2.828 ( 0.761 5.541 4.510) 7.185 3.123 ( -1.743 -1.181 -3.253) 3.875 3.123 ( 1.743 -1.181 3.253) 3.875 3.798 ( -10.748 -2.263 -2.578) 11.283 3.798 ( 10.748 -2.263 2.578) 11.283 3.999 ( -4.023 1.148 -1.591) 4.476 3.999 ( 4.023 1.148 1.591) 4.476 4.338 ( -1.701 2.969 -1.349) 3.678 4.338 ( 1.701 2.969 1.349) 3.678 4.574 ( 2.740 2.126 -12.281) 12.761 4.574 ( -2.740 2.126 12.281) 12.761 4.828 ( -4.575 5.930 -8.411) 11.262 4.828 ( 4.575 5.930 8.411) 11.262 4.929 ( 2.353 9.246 -7.343) 12.040 4.929 ( -2.353 9.246 7.343) 12.040 5.502 ( 6.411 -2.102 -5.749) 8.865 5.502 ( -6.411 -2.102 5.749) 8.865 5.616 ( -10.690 -0.826 -4.564) 11.652 5.616 ( 10.690 -0.826 4.564) 11.652 5.848 ( -0.032 -2.191 -2.502) 3.325 5.848 ( 0.032 -2.191 2.502) 3.325 6.070 ( -4.246 1.736 -6.186) 7.701 6.070 ( 4.246 1.736 6.186) 7.701 6.627 ( -0.781 1.586 -2.961) 3.449 6.627 ( 0.781 1.586 2.961) 3.449 6.759 ( 0.116 2.258 -3.754) 4.382 6.759 ( -0.116 2.258 3.754) 4.382 6.878 ( -7.520 -0.341 -2.930) 8.078 6.878 ( 7.520 -0.341 2.930) 8.078 7.179 ( -10.047 -0.649 -0.714) 10.093 7.179 ( 10.047 -0.649 0.714) 10.093 7.369 ( -3.569 -1.666 -6.706) 7.777 7.369 ( 3.569 -1.666 6.706) 7.777 7.424 ( -7.296 -6.914 -2.199) 10.289 7.424 ( 7.296 -6.914 2.199) 10.289 7.678 ( -0.603 -0.021 -4.197) 4.240 7.678 ( 0.603 -0.021 4.197) 4.240 7.792 ( 1.321 0.472 -9.252) 9.357 7.792 ( -1.321 0.472 9.252) 9.357 8.237 ( 2.914 -3.469 -7.933) 9.135 8.237 ( -2.914 -3.469 7.933) 9.135 8.347 ( -6.593 7.913 -4.418) 11.207 8.347 ( 6.593 7.913 4.418) 11.207 8.583 ( -4.087 -1.660 -5.094) 6.739 8.583 ( 4.087 -1.660 5.094) 6.739 8.781 ( -4.221 0.355 -4.676) 6.309 8.781 ( 4.221 0.355 4.676) 6.309 9.006 ( 0.407 -3.310 -2.158) 3.972 9.006 ( -0.407 -3.310 2.158) 3.972 9.220 ( -9.289 1.140 0.856) 9.398 9.220 ( 9.289 1.140 -0.856) 9.398 9.608 ( 2.564 -3.784 -4.464) 6.389 9.608 ( -2.564 -3.784 4.464) 6.389 9.886 ( 1.533 -2.099 -3.347) 4.238 9.886 ( -1.533 -2.099 3.347) 4.238 10.045 ( -2.234 -2.591 0.048) 3.422 10.045 ( 2.234 -2.591 -0.048) 3.422 10.926 ( -2.524 4.628 -2.045) 5.654 10.926 ( 2.524 4.628 2.045) 5.654 11.526 ( -1.227 -3.279 -1.723) 3.902 11.526 ( 1.227 -3.279 1.723) 3.902 11.764 ( -1.843 -6.738 -3.533) 7.828 11.764 ( 1.843 -6.738 3.533) 7.828 12.531 ( -1.612 -1.876 -2.380) 3.433 12.531 ( 1.612 -1.876 2.380) 3.433 12.701 ( 0.566 -0.450 -4.078) 4.142 12.701 ( -0.566 -0.450 4.078) 4.142 12.741 ( -4.930 -0.209 -4.748) 6.848 12.741 ( 4.930 -0.209 4.748) 6.848 12.989 ( -3.089 0.397 -2.003) 3.703 12.989 ( 3.089 0.397 2.003) 3.703 14.239 ( -1.553 4.482 -3.228) 5.737 14.239 ( 1.553 4.482 3.228) 5.737 14.527 ( 0.758 -0.152 -1.402) 1.601 14.527 ( -0.758 -0.152 1.402) 1.601 15.095 ( 2.901 -2.328 -4.462) 5.809 15.095 ( -2.901 -2.328 4.462) 5.809 15.397 ( -1.013 0.647 -5.673) 5.799 15.397 ( 1.013 0.647 5.673) 5.799 15.573 ( -0.833 0.047 -1.689) 1.884 15.573 ( 0.833 0.047 1.689) 1.884 15.934 ( 3.240 -5.322 -6.000) 8.650 15.934 ( -3.240 -5.322 6.000) 8.650 16.354 ( -0.175 -0.344 -0.817) 0.904 16.354 ( 0.175 -0.344 0.817) 0.904 16.466 ( -2.815 0.436 -2.238) 3.623 16.466 ( 2.815 0.436 2.238) 3.623 16.974 ( -0.723 2.667 -3.464) 4.432 16.974 ( 0.723 2.667 3.464) 4.432 17.186 ( -1.532 -0.334 -7.953) 8.106 17.186 ( 1.532 -0.334 7.953) 8.106 17.474 ( 0.704 2.071 -10.067) 10.302 17.474 ( -0.704 2.071 10.067) 10.302 17.558 ( 4.554 2.009 -3.256) 5.948 17.558 ( -4.554 2.009 3.256) 5.948 18.220 ( -4.170 -1.105 -0.459) 4.339 18.220 ( 4.170 -1.105 0.459) 4.339 18.558 ( -7.671 -0.489 1.219) 7.783 18.558 ( 7.671 -0.489 -1.219) 7.783 18.647 ( -1.064 -0.017 -2.285) 2.520 18.647 ( 1.064 -0.017 2.285) 2.520 19.101 ( 0.104 2.601 -0.331) 2.624 19.101 ( -0.104 2.601 0.331) 2.624 20.967 ( -0.008 4.757 -0.584) 4.792 20.967 ( 0.008 4.757 0.584) 4.792 21.191 ( -0.047 1.894 -3.143) 3.670 21.191 ( 0.047 1.894 3.143) 3.670 21.464 ( -2.058 -0.723 -1.465) 2.628 21.464 ( 2.058 -0.723 1.465) 2.628 21.518 ( -2.325 -0.227 0.010) 2.337 21.518 ( 2.325 -0.227 -0.010) 2.337 26.804 ( 0.701 1.220 -2.268) 2.669 26.804 ( -0.701 1.220 2.268) 2.669 26.909 ( 0.733 -1.043 -1.035) 1.642 26.909 ( -0.733 -1.043 1.035) 1.642 27.664 ( 0.008 0.462 -0.532) 0.704 27.664 ( -0.008 0.462 0.532) 0.704 27.767 ( -0.142 -0.740 -0.497) 0.903 27.767 ( 0.142 -0.740 0.497) 0.903 35.729 ( 0.909 3.254 -5.536) 6.485 35.729 ( -0.909 3.254 5.536) 6.485 36.010 ( 1.030 -1.523 -4.588) 4.943 36.010 ( -1.030 -1.523 4.588) 4.943 37.263 ( 7.385 -0.310 -8.034) 10.917 37.263 ( -7.385 -0.310 8.034) 10.917 37.293 ( 8.023 -1.035 -5.135) 9.582 37.293 ( -8.023 -1.035 5.135) 9.582 37.708 ( 2.752 7.804 -5.521) 9.947 37.708 ( -2.752 7.804 5.521) 9.947 38.323 ( -0.910 -0.678 -6.230) 6.333 38.323 ( 0.910 -0.678 6.230) 6.333 38.750 ( -1.918 -9.251 -8.237) 12.534 38.750 ( 1.918 -9.251 8.237) 12.534 40.165 ( -2.747 -16.576 -10.946) 20.053 40.165 ( 2.747 -16.576 10.946) 20.053 ======================= Grid point 195 (93/100) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 2.556 5.805 -7.111) 9.529 1.786 ( -2.556 5.805 7.111) 9.529 1.965 ( 2.023 10.649 -3.980) 11.548 1.965 ( -2.023 10.649 3.980) 11.548 2.301 ( -5.384 -1.781 -2.286) 6.114 2.301 ( 5.384 -1.781 2.286) 6.114 2.616 ( -8.606 4.100 -0.399) 9.541 2.616 ( 8.606 4.100 0.399) 9.541 2.808 ( -5.986 -6.769 -0.926) 9.084 2.808 ( 5.986 -6.769 0.926) 9.084 3.044 ( 1.300 -0.384 -2.908) 3.209 3.044 ( -1.300 -0.384 2.908) 3.209 3.745 ( -4.704 -0.212 -7.968) 9.255 3.745 ( 4.704 -0.212 7.968) 9.255 4.350 ( 2.003 2.560 -6.052) 6.870 4.350 ( -2.003 2.560 6.052) 6.870 4.541 ( -2.778 -0.630 -10.369) 10.753 4.541 ( 2.778 -0.630 10.369) 10.753 4.629 ( -2.399 -1.118 -2.454) 3.610 4.629 ( 2.399 -1.118 2.454) 3.610 4.788 ( 1.574 -2.686 -6.928) 7.596 4.788 ( -1.574 -2.686 6.928) 7.596 5.049 ( 0.065 -0.564 -6.613) 6.638 5.049 ( -0.065 -0.564 6.613) 6.638 5.376 ( -0.765 3.239 -5.488) 6.418 5.376 ( 0.765 3.239 5.488) 6.418 5.488 ( -1.243 -2.834 -6.561) 7.255 5.488 ( 1.243 -2.834 6.561) 7.255 5.802 ( -5.895 0.479 -5.940) 8.383 5.802 ( 5.895 0.479 5.940) 8.383 5.864 ( -4.301 -1.781 -4.126) 6.220 5.864 ( 4.301 -1.781 4.126) 6.220 6.334 ( 2.695 -2.433 -6.487) 7.434 6.334 ( -2.695 -2.433 6.487) 7.434 6.525 ( 4.401 -2.909 -3.574) 6.372 6.525 ( -4.401 -2.909 3.574) 6.372 6.975 ( -2.458 10.087 -3.142) 10.847 6.975 ( 2.458 10.087 3.142) 10.847 7.198 ( -5.282 -1.002 -3.154) 6.233 7.198 ( 5.282 -1.002 3.154) 6.233 7.346 ( -7.023 10.090 -3.355) 12.743 7.346 ( 7.023 10.090 3.355) 12.743 7.605 ( -9.942 -0.266 -8.756) 13.250 7.605 ( 9.942 -0.266 8.756) 13.250 7.681 ( -6.600 1.659 -1.280) 6.924 7.681 ( 6.600 1.659 1.280) 6.924 7.873 ( 5.327 -3.810 -5.735) 8.705 7.873 ( -5.327 -3.810 5.735) 8.705 8.172 ( -4.283 -0.802 -2.112) 4.843 8.172 ( 4.283 -0.802 2.112) 4.843 8.291 ( 1.291 -3.048 -1.861) 3.797 8.291 ( -1.291 -3.048 1.861) 3.797 8.421 ( -2.445 -3.008 -8.256) 9.121 8.421 ( 2.445 -3.008 8.256) 9.121 8.969 ( -0.494 7.535 -3.734) 8.424 8.969 ( 0.494 7.535 3.734) 8.424 9.126 ( 2.550 1.460 -7.706) 8.247 9.126 ( -2.550 1.460 7.706) 8.247 9.371 ( -1.220 -0.485 -7.356) 7.473 9.371 ( 1.220 -0.485 7.356) 7.473 9.604 ( -1.272 3.322 -7.179) 8.012 9.604 ( 1.272 3.322 7.179) 8.012 9.779 ( -2.029 -4.766 -7.569) 9.172 9.779 ( 2.029 -4.766 7.569) 9.172 10.141 ( 0.212 -5.986 -4.456) 7.466 10.141 ( -0.212 -5.986 4.456) 7.466 10.966 ( -2.594 -2.917 0.214) 3.910 10.966 ( 2.594 -2.917 -0.214) 3.910 11.445 ( -0.949 2.606 -1.901) 3.362 11.445 ( 0.949 2.606 1.901) 3.362 11.561 ( 0.360 -1.904 -0.962) 2.164 11.561 ( -0.360 -1.904 0.962) 2.164 12.458 ( -0.262 1.288 -2.814) 3.106 12.458 ( 0.262 1.288 2.814) 3.106 12.578 ( 0.702 1.553 -4.294) 4.620 12.578 ( -0.702 1.553 4.294) 4.620 12.855 ( 1.482 -2.544 -5.550) 6.282 12.855 ( -1.482 -2.544 5.550) 6.282 13.073 ( -3.302 -4.643 -2.698) 6.304 13.073 ( 3.302 -4.643 2.698) 6.304 14.289 ( -0.283 1.918 -2.488) 3.154 14.289 ( 0.283 1.918 2.488) 3.154 14.632 ( -3.998 6.808 -0.265) 7.900 14.632 ( 3.998 6.808 0.265) 7.900 15.031 ( -1.054 -1.545 -1.689) 2.520 15.031 ( 1.054 -1.545 1.689) 2.520 15.391 ( -2.420 -6.374 -4.674) 8.266 15.391 ( 2.420 -6.374 4.674) 8.266 15.582 ( 0.233 -3.170 -1.339) 3.449 15.582 ( -0.233 -3.170 1.339) 3.449 16.056 ( -1.332 2.424 -2.078) 3.459 16.056 ( 1.332 2.424 2.078) 3.459 16.424 ( -2.637 1.421 -1.280) 3.257 16.424 ( 2.637 1.421 1.280) 3.257 16.584 ( -2.193 0.250 -2.661) 3.457 16.584 ( 2.193 0.250 2.661) 3.457 16.779 ( -2.196 -3.842 -2.619) 5.143 16.779 ( 2.196 -3.842 2.619) 5.143 17.170 ( 0.697 1.377 -1.042) 1.862 17.170 ( -0.697 1.377 1.042) 1.862 17.534 ( 0.677 3.543 -3.142) 4.784 17.534 ( -0.677 3.543 3.142) 4.784 17.697 ( 3.465 -1.800 -5.583) 6.813 17.697 ( -3.465 -1.800 5.583) 6.813 18.001 ( -6.925 1.294 -0.811) 7.091 18.001 ( 6.925 1.294 0.811) 7.091 18.216 ( -2.594 -1.799 -0.375) 3.179 18.216 ( 2.594 -1.799 0.375) 3.179 18.951 ( 0.963 1.139 -1.607) 2.193 18.951 ( -0.963 1.139 1.607) 2.193 19.115 ( 0.774 -0.025 -0.746) 1.076 19.115 ( -0.774 -0.025 0.746) 1.076 21.082 ( -0.783 3.880 -2.038) 4.452 21.082 ( 0.783 3.880 2.038) 4.452 21.270 ( -0.650 3.477 -3.556) 5.016 21.270 ( 0.650 3.477 3.556) 5.016 21.369 ( -1.069 -2.051 -0.224) 2.324 21.369 ( 1.069 -2.051 0.224) 2.324 21.538 ( 0.050 -1.698 -0.428) 1.752 21.538 ( -0.050 -1.698 0.428) 1.752 26.849 ( 0.787 0.772 -1.073) 1.538 26.849 ( -0.787 0.772 1.073) 1.538 26.896 ( 0.614 -0.657 -1.028) 1.366 26.896 ( -0.614 -0.657 1.028) 1.366 27.664 ( 0.054 0.473 -0.417) 0.633 27.664 ( -0.054 0.473 0.417) 0.633 27.719 ( 0.281 -0.508 -0.294) 0.651 27.719 ( -0.281 -0.508 0.294) 0.651 35.880 ( 4.386 5.010 -3.599) 7.569 35.880 ( -4.386 5.010 3.599) 7.569 36.083 ( 4.082 -4.501 -2.785) 6.684 36.083 ( -4.082 -4.501 2.785) 6.684 37.281 ( -1.248 0.232 -9.376) 9.462 37.281 ( 1.248 0.232 9.376) 9.462 37.394 ( -6.253 -5.925 -10.522) 13.599 37.394 ( 6.253 -5.925 10.522) 13.599 37.655 ( 1.339 2.511 -3.742) 4.701 37.655 ( -1.339 2.511 3.742) 4.701 37.864 ( -1.989 0.353 -0.433) 2.066 37.864 ( 1.989 0.353 0.433) 2.066 38.858 ( -1.396 -1.046 -11.553) 11.684 38.858 ( 1.396 -1.046 11.553) 11.684 39.676 ( -6.921 -4.360 -4.695) 9.431 39.676 ( 6.921 -4.360 4.695) 9.431 ======================= Grid point 197 (94/100) ======================= q-point: ( 0.17 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -1.965 10.136 -4.504) 11.264 1.795 ( 3.362 5.013 -5.536) 8.190 1.905 ( -2.840 4.533 8.981) 10.454 2.127 ( 3.075 3.339 1.084) 4.666 2.176 ( -2.462 2.902 -2.210) 4.401 2.397 ( -8.448 1.394 -6.730) 10.891 2.462 ( 4.515 1.050 3.115) 5.585 2.658 ( -5.665 -6.497 0.246) 8.624 2.741 ( 6.576 4.802 -4.345) 9.229 2.912 ( 3.267 -2.983 0.621) 4.468 3.054 ( 0.985 0.089 -0.873) 1.319 3.068 ( 5.464 -1.069 -4.436) 7.119 3.602 ( -3.564 2.767 -3.620) 5.785 3.870 ( -0.483 -7.889 4.791) 9.242 4.283 ( -7.355 1.751 2.368) 7.923 4.319 ( 0.461 5.072 -2.486) 5.667 4.358 ( -9.982 -0.079 -2.127) 10.206 4.486 ( -2.749 0.050 -2.500) 3.717 4.614 ( -2.291 4.072 -0.547) 4.704 4.716 ( 3.135 0.564 -1.329) 3.452 4.807 ( 4.072 -1.645 -4.263) 6.121 4.894 ( 5.449 -3.549 -1.209) 6.615 5.041 ( 4.517 3.612 5.231) 7.798 5.101 ( 2.044 2.271 -3.666) 4.773 5.257 ( -3.282 2.004 -7.704) 8.610 5.411 ( -0.780 2.463 -0.424) 2.619 5.472 ( 4.887 -4.802 1.334) 6.980 5.620 ( 4.461 -6.631 5.340) 9.611 5.711 ( 2.686 2.982 0.018) 4.014 5.797 ( -1.439 -0.829 -0.481) 1.729 5.915 ( 5.861 2.474 -1.717) 6.589 6.120 ( 7.542 -4.540 5.661) 10.466 6.352 ( 4.802 -1.072 1.319) 5.094 6.466 ( 8.136 -2.878 6.494) 10.800 6.525 ( 2.691 -5.225 3.419) 6.799 6.613 ( 7.310 -2.229 -1.874) 7.869 6.904 ( -2.135 2.801 -2.612) 4.385 7.018 ( -4.265 10.512 3.131) 11.768 7.055 ( -5.579 -2.135 -1.951) 6.284 7.158 ( -9.471 8.833 0.367) 12.956 7.281 ( -2.784 -0.169 -5.812) 6.446 7.377 ( 1.996 0.579 0.335) 2.105 7.496 ( 5.866 7.688 -2.842) 10.079 7.610 ( 0.457 3.607 -0.749) 3.712 7.707 ( -3.314 -2.270 0.678) 4.073 7.786 ( 6.272 0.829 -5.373) 8.300 7.926 ( -2.020 0.487 4.917) 5.338 8.003 ( 9.044 -3.668 -1.463) 9.868 8.149 ( -9.996 1.599 -4.664) 11.145 8.185 ( 7.039 -1.792 -1.771) 7.477 8.207 ( -2.938 1.214 4.728) 5.697 8.341 ( 3.813 -5.432 2.621) 7.135 8.377 ( 5.186 -1.595 -3.479) 6.445 8.446 ( -2.375 -4.706 0.232) 5.277 8.890 ( -3.799 5.280 -3.429) 7.353 8.982 ( -3.357 8.054 6.235) 10.725 9.051 ( -3.983 0.041 -4.016) 5.656 9.126 ( -4.562 3.961 6.733) 9.046 9.282 ( -2.544 1.581 1.877) 3.535 9.373 ( -7.655 -1.179 -0.506) 7.762 9.493 ( -2.670 -3.566 -3.099) 5.427 9.677 ( -3.087 0.446 4.484) 5.462 9.711 ( 1.564 -0.500 3.396) 3.773 9.899 ( 0.875 -2.643 2.763) 3.922 10.079 ( -1.834 -6.300 -1.664) 6.769 10.127 ( -5.829 -6.805 4.917) 10.221 10.929 ( -0.530 0.582 0.379) 0.873 11.012 ( 1.882 -3.911 -1.845) 4.716 11.407 ( -1.384 3.862 1.016) 4.227 11.499 ( 1.506 -0.320 1.273) 1.997 11.563 ( 0.027 -2.478 2.281) 3.369 11.597 ( 2.035 -2.564 2.217) 3.953 12.437 ( 0.304 2.173 -0.396) 2.229 12.523 ( 3.244 -0.789 1.366) 3.607 12.559 ( 0.709 3.292 -1.581) 3.720 12.633 ( 1.306 -0.361 3.837) 4.069 12.786 ( -2.510 -1.767 -1.421) 3.383 12.892 ( -0.294 -5.006 -0.364) 5.027 12.975 ( -1.381 1.211 -3.909) 4.319 13.142 ( 2.152 -6.619 -3.549) 7.812 14.258 ( 0.772 3.807 -3.170) 5.014 14.320 ( 1.940 0.720 -0.005) 2.069 14.533 ( -4.916 7.248 -0.734) 8.788 14.677 ( -0.337 2.521 -0.112) 2.546 14.997 ( 0.643 -0.879 -1.533) 1.880 15.050 ( 0.783 -1.889 -3.012) 3.640 15.324 ( -1.754 -1.894 1.880) 3.194 15.474 ( 0.233 -3.861 4.916) 6.256 15.570 ( 0.158 -1.902 -2.257) 2.956 15.596 ( 0.820 -7.558 0.444) 7.615 15.925 ( -8.021 3.584 -0.823) 8.823 16.044 ( -4.819 -0.576 -0.274) 4.861 16.352 ( -1.327 2.229 -1.111) 2.822 16.421 ( -1.441 -1.077 -1.232) 2.181 16.553 ( -2.467 2.368 1.410) 3.699 16.649 ( -3.476 -2.377 2.175) 4.739 16.789 ( 5.855 0.636 2.149) 6.269 16.883 ( 4.271 -3.569 5.879) 8.096 17.161 ( -1.109 2.841 -0.495) 3.089 17.192 ( 2.753 0.836 -0.320) 2.895 17.474 ( -0.785 2.026 -1.886) 2.877 17.579 ( 0.174 -1.267 -4.094) 4.289 17.600 ( -3.765 2.983 -0.496) 4.829 17.702 ( -0.000 -0.334 -2.809) 2.829 17.972 ( 3.716 2.318 1.101) 4.516 18.137 ( 2.597 -4.879 1.371) 5.694 18.233 ( 7.619 2.292 0.615) 7.981 18.320 ( 6.422 -1.973 0.222) 6.722 18.886 ( -5.628 1.291 0.152) 5.777 18.906 ( -4.823 0.359 -0.354) 4.849 19.122 ( 0.634 0.772 0.356) 1.061 19.137 ( 1.845 0.438 -1.071) 2.177 21.053 ( -0.380 4.468 -1.478) 4.721 21.121 ( 1.227 2.532 1.937) 3.416 21.186 ( -3.904 4.785 -1.463) 6.347 21.297 ( -1.177 0.962 0.337) 1.557 21.361 ( 0.773 -2.295 -0.197) 2.430 21.404 ( 2.218 -1.605 0.193) 2.744 21.539 ( -0.800 -0.950 1.341) 1.828 21.546 ( -0.343 -0.919 1.538) 1.824 26.834 ( -1.303 1.029 0.908) 1.893 26.851 ( 0.063 0.627 -0.738) 0.970 26.892 ( -0.238 -0.720 0.068) 0.762 26.897 ( 0.443 -0.605 -0.930) 1.194 27.664 ( 0.222 0.579 -0.195) 0.649 27.670 ( 0.271 0.336 0.075) 0.439 27.724 ( 0.540 -0.361 0.317) 0.723 27.732 ( 1.025 -0.765 -0.132) 1.286 35.824 ( -4.187 4.626 2.683) 6.792 35.904 ( 2.688 5.014 -6.231) 8.437 36.010 ( -4.604 -4.228 0.970) 6.326 36.094 ( 1.486 -3.938 -6.521) 7.761 37.190 ( 0.811 -0.882 -6.616) 6.724 37.210 ( -0.821 -2.059 -9.245) 9.507 37.375 ( -3.241 1.706 9.594) 10.269 37.496 ( -7.912 -3.262 8.136) 11.808 37.659 ( 3.244 2.929 -1.282) 4.555 37.715 ( 9.078 0.854 0.498) 9.132 37.966 ( 10.334 -0.735 0.714) 10.385 38.011 ( 9.894 -1.745 2.226) 10.291 38.666 ( -6.413 2.934 -7.666) 10.417 38.956 ( -1.854 -11.357 1.105) 11.561 39.580 ( -0.364 3.001 3.806) 4.861 39.849 ( 5.235 -10.186 5.180) 12.569 ======================= Grid point 198 (95/100) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 3.161 8.199 -2.655) 9.180 1.811 ( 2.722 4.114 -4.594) 6.741 1.960 ( -0.624 1.926 8.113) 8.362 2.090 ( -3.847 -2.549 2.270) 5.142 2.137 ( -1.356 3.870 -4.766) 6.287 2.173 ( -6.590 3.269 -6.373) 9.733 2.527 ( 0.035 -0.521 1.734) 1.811 2.590 ( -3.319 -4.452 0.778) 5.608 2.855 ( 7.964 7.032 -2.408) 10.893 2.968 ( 2.857 4.716 -1.343) 5.675 3.053 ( 0.429 -1.086 -0.057) 1.169 3.130 ( 3.196 -2.534 -3.364) 5.287 3.581 ( 5.303 1.867 -1.276) 5.765 3.844 ( -2.351 -8.007 -0.408) 8.355 4.114 ( -11.253 0.968 -0.363) 11.301 4.148 ( -8.228 -0.873 -1.653) 8.438 4.341 ( 1.254 4.408 0.377) 4.599 4.474 ( -3.700 -0.043 1.894) 4.156 4.577 ( 1.889 7.831 -0.468) 8.069 4.685 ( 0.831 2.824 -3.821) 4.823 4.843 ( 2.211 4.970 -1.558) 5.659 4.993 ( 8.851 3.577 -3.058) 10.024 5.076 ( -1.401 6.253 -2.811) 6.997 5.149 ( -0.509 5.865 -2.726) 6.488 5.262 ( 7.847 -4.371 5.654) 10.613 5.396 ( 3.160 -1.306 -3.328) 4.771 5.554 ( -3.368 -4.930 5.508) 8.123 5.702 ( -2.131 -10.803 -0.127) 11.012 5.760 ( 4.455 1.408 -1.264) 4.841 5.904 ( 10.198 2.869 3.264) 11.085 5.956 ( -0.416 6.753 -4.383) 8.062 6.175 ( 1.193 0.878 -2.230) 2.677 6.484 ( 4.491 -3.921 2.983) 6.666 6.645 ( 0.739 -3.654 4.813) 6.088 6.702 ( 7.179 1.906 8.639) 11.393 6.781 ( 8.364 0.271 0.592) 8.389 6.835 ( 0.976 -0.538 -1.730) 2.058 6.957 ( -0.077 -2.067 2.689) 3.393 7.004 ( -1.801 -1.588 -1.196) 2.682 7.020 ( 2.622 -3.527 -3.319) 5.507 7.210 ( -3.145 3.477 2.190) 5.175 7.400 ( -6.098 -4.256 3.518) 8.226 7.469 ( -2.822 3.492 -12.682) 13.453 7.610 ( -4.052 0.172 -6.650) 7.789 7.640 ( 5.215 8.130 -4.987) 10.870 7.786 ( -1.447 -0.111 -0.449) 1.519 7.887 ( 0.919 6.123 -5.642) 8.377 7.936 ( -11.124 2.966 3.722) 12.100 8.104 ( 2.992 -7.495 -2.863) 8.563 8.178 ( -3.199 -4.009 8.761) 10.152 8.263 ( -1.812 0.559 2.104) 2.832 8.333 ( 4.015 -3.494 1.621) 5.564 8.509 ( 10.245 2.416 -1.357) 10.613 8.666 ( 14.995 -4.481 2.198) 15.804 8.744 ( -7.148 2.278 -5.797) 9.481 8.892 ( -7.208 -4.053 -3.037) 8.809 8.965 ( -6.780 10.879 5.242) 13.849 9.124 ( -4.350 1.536 4.537) 6.470 9.214 ( -1.993 7.223 -1.766) 7.698 9.278 ( -3.403 -1.431 5.176) 6.358 9.449 ( 0.702 -7.605 -1.495) 7.782 9.615 ( -7.585 -4.729 4.249) 9.897 9.784 ( 2.371 0.629 3.242) 4.066 9.889 ( -2.184 -0.430 1.044) 2.459 10.031 ( -5.221 -4.589 2.345) 7.336 10.055 ( -3.773 -5.260 0.939) 6.541 10.946 ( 1.482 1.829 0.273) 2.370 11.004 ( 0.350 -1.630 -3.024) 3.454 11.425 ( 1.450 2.278 2.486) 3.671 11.514 ( -0.150 -1.626 -0.469) 1.699 11.603 ( 1.380 -2.921 2.634) 4.169 11.656 ( 0.297 -4.989 3.210) 5.940 12.457 ( 1.516 1.191 0.965) 2.156 12.539 ( -0.278 -1.261 -1.559) 2.024 12.610 ( 3.768 1.016 -0.059) 3.903 12.672 ( -0.301 -0.421 2.743) 2.791 12.756 ( -1.069 -0.281 0.764) 1.344 12.829 ( -4.169 -4.443 -1.101) 6.192 12.962 ( 2.581 2.397 -3.253) 4.794 13.080 ( -1.972 -3.080 -6.750) 7.677 14.274 ( 2.990 4.721 -1.155) 5.706 14.364 ( 1.648 1.661 -0.241) 2.353 14.457 ( -0.742 3.817 -1.573) 4.195 14.620 ( -5.304 -1.293 0.511) 5.483 15.024 ( 2.481 -1.060 -1.865) 3.280 15.043 ( 2.475 -1.497 -2.008) 3.521 15.343 ( 0.367 1.671 3.273) 3.693 15.492 ( -3.251 -2.719 2.510) 4.925 15.539 ( 0.662 -0.472 -2.331) 2.468 15.609 ( -1.848 -4.725 2.788) 5.789 15.807 ( -1.655 -0.219 -2.123) 2.701 15.926 ( -6.407 -3.186 -0.027) 7.155 16.351 ( 1.156 1.454 -0.389) 1.898 16.381 ( -1.408 -0.282 -0.934) 1.713 16.492 ( -4.187 2.024 1.207) 4.805 16.562 ( -5.617 -1.383 0.319) 5.794 16.929 ( 4.624 2.554 4.278) 6.797 17.031 ( 3.710 -2.266 7.541) 8.704 17.119 ( -1.505 4.251 -2.608) 5.209 17.233 ( 0.285 -1.624 -1.224) 2.053 17.458 ( 1.245 2.577 -0.628) 2.930 17.534 ( 1.435 -0.526 -1.195) 1.940 17.567 ( 0.281 2.933 -4.514) 5.391 17.657 ( -2.389 -0.507 -2.483) 3.483 18.097 ( 7.163 1.101 0.555) 7.268 18.193 ( 2.375 -3.133 0.913) 4.035 18.402 ( 8.613 0.782 0.329) 8.655 18.449 ( 6.488 -1.589 1.740) 6.903 18.756 ( -7.628 0.975 -1.136) 7.773 18.784 ( -7.879 -0.285 0.365) 7.893 19.137 ( 0.730 1.671 0.025) 1.824 19.151 ( 0.742 1.395 -1.007) 1.874 21.043 ( 0.510 4.542 -0.736) 4.629 21.108 ( -3.019 4.314 -0.732) 5.316 21.165 ( 1.522 1.461 1.592) 2.643 21.258 ( -2.257 -0.533 -0.605) 2.397 21.390 ( 2.005 -1.257 0.469) 2.413 21.444 ( 1.884 -2.476 -0.583) 3.165 21.525 ( -1.708 0.926 1.122) 2.244 21.546 ( -1.373 -0.239 1.446) 2.009 26.824 ( -0.937 1.216 1.544) 2.177 26.841 ( -0.023 0.915 -1.299) 1.590 26.888 ( -0.240 -0.883 0.184) 0.933 26.894 ( 0.281 -0.792 -1.074) 1.364 27.668 ( 0.245 0.562 0.157) 0.633 27.674 ( 0.294 0.327 -0.320) 0.544 27.740 ( 0.760 -0.469 0.273) 0.934 27.748 ( 0.670 -0.855 -0.072) 1.089 35.789 ( -2.663 4.130 3.720) 6.163 35.857 ( 0.122 3.954 -7.243) 8.253 35.961 ( -1.896 -2.844 1.718) 3.826 36.031 ( -0.147 -2.934 -7.568) 8.118 37.187 ( 6.024 -0.452 -7.269) 9.451 37.193 ( 4.904 -0.874 -4.371) 6.627 37.346 ( -7.149 0.775 6.719) 9.841 37.389 ( -9.951 -1.158 7.063) 12.258 37.764 ( 7.959 6.188 -1.872) 10.254 37.860 ( 3.218 5.927 2.791) 7.299 38.158 ( 8.955 -1.451 0.308) 9.077 38.263 ( 13.765 -6.813 2.804) 15.613 38.481 ( -6.279 2.181 -5.681) 8.743 38.810 ( -10.829 -12.802 -2.787) 16.998 39.722 ( 6.256 -2.711 8.554) 10.939 39.941 ( 0.838 -12.249 1.143) 12.330 ======================= Grid point 199 (96/100) ======================= q-point: (-0.50 0.38 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -3.874 4.832 -0.462) 6.210 1.765 ( 3.874 4.832 0.462) 6.210 2.040 ( -0.699 3.029 -7.126) 7.774 2.040 ( 0.699 3.029 7.126) 7.774 2.076 ( 1.518 -0.314 -3.743) 4.051 2.076 ( -1.518 -0.314 3.743) 4.051 2.544 ( -0.817 -1.585 -1.376) 2.252 2.544 ( 0.817 -1.585 1.376) 2.252 2.948 ( -0.474 6.408 -4.169) 7.660 2.948 ( 0.474 6.408 4.169) 7.660 3.104 ( -1.939 -1.055 -2.681) 3.473 3.104 ( 1.939 -1.055 2.681) 3.473 3.749 ( -9.314 -2.611 -0.923) 9.717 3.749 ( 9.314 -2.611 0.923) 9.717 4.009 ( -2.464 0.064 -0.885) 2.619 4.009 ( 2.464 0.064 0.885) 2.619 4.387 ( -2.780 1.695 -1.712) 3.679 4.387 ( 2.780 1.695 1.712) 3.679 4.649 ( 1.220 4.953 -7.184) 8.811 4.649 ( -1.220 4.953 7.184) 8.811 4.944 ( -4.007 5.751 -7.542) 10.296 4.944 ( 4.007 5.751 7.542) 10.296 5.117 ( 1.548 8.784 -2.516) 9.267 5.117 ( -1.548 8.784 2.516) 9.267 5.442 ( 1.373 -4.334 -7.579) 8.838 5.442 ( -1.373 -4.334 7.579) 8.838 5.540 ( -4.984 -5.791 -2.719) 8.110 5.540 ( 4.984 -5.791 2.719) 8.110 5.866 ( -1.104 3.452 -1.151) 3.803 5.866 ( 1.104 3.452 1.151) 3.803 6.095 ( -4.811 0.375 -5.988) 7.691 6.095 ( 4.811 0.375 5.988) 7.691 6.638 ( -5.338 0.053 -2.696) 5.980 6.638 ( 5.338 0.053 2.696) 5.980 6.800 ( -3.437 1.857 -4.554) 6.000 6.800 ( 3.437 1.857 4.554) 6.000 6.893 ( -4.841 1.590 -0.396) 5.111 6.893 ( 4.841 1.590 0.396) 5.111 7.137 ( -14.321 -3.238 -6.282) 15.969 7.137 ( 14.321 -3.238 6.282) 15.969 7.238 ( -11.998 -8.338 1.193) 14.660 7.238 ( 11.998 -8.338 -1.193) 14.660 7.367 ( -9.648 -0.538 -3.820) 10.391 7.367 ( 9.648 -0.538 3.820) 10.391 7.753 ( 1.543 6.732 -3.796) 7.881 7.753 ( -1.543 6.732 3.796) 7.881 7.839 ( 2.627 3.677 -10.870) 11.772 7.839 ( -2.627 3.677 10.870) 11.772 8.141 ( 5.028 -6.393 -11.974) 14.475 8.141 ( -5.028 -6.393 11.974) 14.475 8.395 ( -2.676 -3.171 -6.325) 7.565 8.395 ( 2.676 -3.171 6.325) 7.565 8.577 ( -1.407 2.282 -4.008) 4.822 8.577 ( 1.407 2.282 4.008) 4.822 8.821 ( -1.236 1.528 -3.226) 3.777 8.821 ( 1.236 1.528 3.226) 3.777 8.985 ( -8.887 1.816 -3.720) 9.804 8.985 ( 8.887 1.816 3.720) 9.804 9.252 ( 4.279 2.659 -3.310) 6.028 9.252 ( -4.279 2.659 3.310) 6.028 9.505 ( 6.458 -6.628 -4.294) 10.202 9.505 ( -6.458 -6.628 4.294) 10.202 9.852 ( 0.882 -0.432 -3.083) 3.236 9.852 ( -0.882 -0.432 3.083) 3.236 9.997 ( -0.855 -2.823 -0.588) 3.008 9.997 ( 0.855 -2.823 0.588) 3.008 10.977 ( -0.620 0.813 -1.893) 2.152 10.977 ( 0.620 0.813 1.893) 2.152 11.484 ( -0.846 -0.735 -2.721) 2.943 11.484 ( 0.846 -0.735 2.721) 2.943 11.652 ( 0.662 -4.389 -2.679) 5.184 11.652 ( -0.662 -4.389 2.679) 5.184 12.504 ( -1.297 -0.821 -2.045) 2.557 12.504 ( 1.297 -0.821 2.045) 2.557 12.672 ( 0.444 -1.852 -1.630) 2.507 12.672 ( -0.444 -1.852 1.630) 2.507 12.753 ( -0.809 0.993 -1.863) 2.261 12.753 ( 0.809 0.993 1.863) 2.261 12.997 ( -2.213 0.294 -1.483) 2.680 12.997 ( 2.213 0.294 1.483) 2.680 14.331 ( -1.308 4.643 -1.943) 5.200 14.331 ( 1.308 4.643 1.943) 5.200 14.514 ( -4.707 -1.422 0.150) 4.919 14.514 ( 4.707 -1.422 -0.150) 4.919 15.053 ( 2.158 -1.583 -2.705) 3.805 15.053 ( -2.158 -1.583 2.705) 3.805 15.408 ( -1.725 0.160 -3.737) 4.119 15.408 ( 1.725 0.160 3.737) 4.119 15.574 ( 1.980 0.260 -3.674) 4.182 15.574 ( -1.980 0.260 3.674) 4.182 15.826 ( 2.671 -4.806 -6.002) 8.140 15.826 ( -2.671 -4.806 6.002) 8.140 16.362 ( 0.303 0.896 -0.981) 1.362 16.362 ( -0.303 0.896 0.981) 1.362 16.477 ( -1.362 0.456 -1.470) 2.055 16.477 ( 1.362 0.456 1.470) 2.055 17.039 ( -2.019 3.510 -4.708) 6.210 17.039 ( 2.019 3.510 4.708) 6.210 17.165 ( -1.986 -1.757 -6.792) 7.291 17.165 ( 1.986 -1.757 6.792) 7.291 17.518 ( 1.420 2.304 -8.309) 8.738 17.518 ( -1.420 2.304 8.309) 8.738 17.578 ( 2.266 -0.024 -4.699) 5.217 17.578 ( -2.266 -0.024 4.699) 5.217 18.201 ( -2.546 -0.748 -0.215) 2.663 18.201 ( 2.546 -0.748 0.215) 2.663 18.551 ( -3.794 -0.231 0.552) 3.841 18.551 ( 3.794 -0.231 -0.552) 3.841 18.642 ( -1.346 -0.332 -0.967) 1.690 18.642 ( 1.346 -0.332 0.967) 1.690 19.148 ( -0.135 1.957 -0.475) 2.019 19.148 ( 0.135 1.957 0.475) 2.019 21.060 ( -0.234 4.448 -1.163) 4.603 21.060 ( 0.234 4.448 1.163) 4.603 21.210 ( 0.038 -0.135 -2.963) 2.967 21.210 ( -0.038 -0.135 2.963) 2.967 21.437 ( -1.827 -1.530 -0.880) 2.541 21.437 ( 1.827 -1.530 0.880) 2.541 21.526 ( -0.864 0.571 -0.022) 1.036 21.526 ( 0.864 0.571 0.022) 1.036 26.828 ( 0.478 1.222 -1.910) 2.317 26.828 ( -0.478 1.222 1.910) 2.317 26.889 ( 0.523 -0.976 -1.261) 1.679 26.889 ( -0.523 -0.976 1.261) 1.679 27.674 ( 0.044 0.446 -0.438) 0.626 27.674 ( -0.044 0.446 0.438) 0.626 27.752 ( -0.174 -0.709 -0.138) 0.743 27.752 ( 0.174 -0.709 0.138) 0.743 35.801 ( 0.994 3.800 -5.724) 6.942 35.801 ( -0.994 3.800 5.724) 6.942 35.970 ( 0.946 -2.520 -5.375) 6.011 35.970 ( -0.946 -2.520 5.375) 6.011 37.253 ( 3.349 -0.526 -4.240) 5.429 37.253 ( -3.349 -0.526 4.240) 5.429 37.283 ( 4.238 -0.183 -2.897) 5.137 37.283 ( -4.238 -0.183 2.897) 5.137 37.870 ( 3.613 8.016 -4.293) 9.784 37.870 ( -3.613 8.016 4.293) 9.784 38.318 ( -5.863 0.545 -3.480) 6.840 38.318 ( 5.863 0.545 3.480) 6.840 38.550 ( -6.504 -10.522 -7.421) 14.425 38.550 ( 6.504 -10.522 7.421) 14.425 39.894 ( -2.981 -10.099 -5.586) 11.919 39.894 ( 2.981 -10.099 5.586) 11.919 ======================= Grid point 203 (97/100) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -0.000 0.000 -0.000) 0.000 1.845 ( 0.000 0.000 0.000) 0.000 2.103 ( -0.000 0.000 -0.000) 0.000 2.103 ( -0.000 0.000 0.000) 0.000 2.261 ( 0.000 -0.000 -0.000) 0.000 2.261 ( -0.000 0.000 0.000) 0.000 2.660 ( -0.000 0.000 0.000) 0.000 2.660 ( 0.000 -0.000 0.000) 0.000 2.728 ( -0.000 0.000 -0.000) 0.000 2.728 ( -0.000 0.000 0.000) 0.000 3.040 ( -0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.738 ( 0.000 0.000 0.000) 0.000 3.738 ( -0.000 0.000 0.000) 0.000 4.422 ( 0.000 0.000 0.000) 0.000 4.422 ( 0.000 0.000 0.000) 0.000 4.462 ( 0.000 -0.000 -0.000) 0.000 4.462 ( -0.000 0.000 0.000) 0.000 4.679 ( 0.000 -0.000 -0.000) 0.000 4.679 ( -0.000 -0.000 0.000) 0.000 4.721 ( 0.000 0.000 -0.000) 0.000 4.721 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.047 ( -0.000 0.000 0.000) 0.000 5.427 ( -0.000 -0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 -0.000) 0.000 5.440 ( 0.000 0.000 -0.000) 0.000 5.820 ( -0.000 0.000 -0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 5.847 ( -0.000 0.000 -0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 -0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.482 ( -0.000 0.000 0.000) 0.000 6.482 ( -0.000 0.000 0.000) 0.000 7.127 ( -0.000 -0.000 -0.000) 0.000 7.127 ( 0.000 -0.000 0.000) 0.000 7.150 ( -0.000 0.000 -0.000) 0.000 7.150 ( 0.000 0.000 0.000) 0.000 7.472 ( -0.000 0.000 0.000) 0.000 7.472 ( -0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 -0.000 0.000) 0.000 7.741 ( 0.000 -0.000 -0.000) 0.000 7.741 ( 0.000 0.000 -0.000) 0.000 7.776 ( -0.000 -0.000 0.000) 0.000 7.776 ( -0.000 0.000 0.000) 0.000 8.176 ( 0.000 0.000 -0.000) 0.000 8.176 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 -0.000) 0.000 8.254 ( -0.000 0.000 0.000) 0.000 8.386 ( 0.000 -0.000 0.000) 0.000 8.386 ( -0.000 0.000 0.000) 0.000 9.051 ( -0.000 0.000 -0.000) 0.000 9.051 ( -0.000 0.000 -0.000) 0.000 9.151 ( 0.000 -0.000 0.000) 0.000 9.151 ( -0.000 0.000 0.000) 0.000 9.352 ( 0.000 0.000 -0.000) 0.000 9.352 ( -0.000 0.000 0.000) 0.000 9.679 ( 0.000 0.000 -0.000) 0.000 9.679 ( 0.000 0.000 0.000) 0.000 9.700 ( -0.000 -0.000 -0.000) 0.000 9.700 ( -0.000 0.000 0.000) 0.000 10.070 ( -0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.935 ( -0.000 0.000 0.000) 0.000 10.935 ( 0.000 0.000 0.000) 0.000 11.470 ( 0.000 0.000 0.000) 0.000 11.470 ( 0.000 0.000 0.000) 0.000 11.542 ( 0.000 0.000 -0.000) 0.000 11.542 ( -0.000 0.000 0.000) 0.000 12.467 ( 0.000 0.000 0.000) 0.000 12.467 ( -0.000 0.000 0.000) 0.000 12.613 ( 0.000 0.000 -0.000) 0.000 12.613 ( 0.000 0.000 -0.000) 0.000 12.818 ( 0.000 -0.000 0.000) 0.000 12.818 ( -0.000 0.000 0.000) 0.000 13.024 ( 0.000 0.000 0.000) 0.000 13.024 ( -0.000 0.000 0.000) 0.000 14.309 ( -0.000 0.000 0.000) 0.000 14.309 ( -0.000 0.000 0.000) 0.000 14.704 ( -0.000 0.000 0.000) 0.000 14.704 ( 0.000 0.000 0.000) 0.000 15.018 ( 0.000 0.000 0.000) 0.000 15.018 ( -0.000 0.000 0.000) 0.000 15.313 ( -0.000 0.000 -0.000) 0.000 15.313 ( 0.000 0.000 0.000) 0.000 15.556 ( -0.000 0.000 0.000) 0.000 15.556 ( 0.000 0.000 0.000) 0.000 16.084 ( -0.000 0.000 0.000) 0.000 16.084 ( -0.000 0.000 0.000) 0.000 16.439 ( 0.000 0.000 0.000) 0.000 16.439 ( 0.000 0.000 0.000) 0.000 16.588 ( -0.000 0.000 -0.000) 0.000 16.588 ( -0.000 0.000 -0.000) 0.000 16.738 ( 0.000 0.000 -0.000) 0.000 16.738 ( 0.000 0.000 0.000) 0.000 17.179 ( 0.000 0.000 0.000) 0.000 17.179 ( -0.000 0.000 0.000) 0.000 17.584 ( 0.000 0.000 0.000) 0.000 17.584 ( 0.000 0.000 0.000) 0.000 17.665 ( 0.000 0.000 -0.000) 0.000 17.665 ( -0.000 0.000 0.000) 0.000 18.019 ( 0.000 0.000 0.000) 0.000 18.019 ( 0.000 0.000 0.000) 0.000 18.194 ( -0.000 0.000 0.000) 0.000 18.194 ( 0.000 0.000 0.000) 0.000 18.962 ( -0.000 0.000 0.000) 0.000 18.962 ( 0.000 0.000 0.000) 0.000 19.115 ( -0.000 0.000 0.000) 0.000 19.115 ( -0.000 0.000 0.000) 0.000 21.126 ( 0.000 0.000 0.000) 0.000 21.126 ( 0.000 0.000 0.000) 0.000 21.322 ( -0.000 -0.000 0.000) 0.000 21.322 ( 0.000 0.000 -0.000) 0.000 21.327 ( 0.000 -0.000 -0.000) 0.000 21.327 ( 0.000 0.000 0.000) 0.000 21.520 ( -0.000 0.000 -0.000) 0.000 21.520 ( -0.000 0.000 0.000) 0.000 26.858 ( 0.000 0.000 -0.000) 0.000 26.858 ( -0.000 0.000 0.000) 0.000 26.887 ( 0.000 0.000 0.000) 0.000 26.887 ( 0.000 0.000 0.000) 0.000 27.670 ( 0.000 0.000 -0.000) 0.000 27.670 ( 0.000 0.000 0.000) 0.000 27.713 ( 0.000 0.000 -0.000) 0.000 27.713 ( -0.000 0.000 0.000) 0.000 35.971 ( 0.000 -0.000 -0.000) 0.000 35.971 ( -0.000 0.000 0.000) 0.000 35.997 ( 0.000 0.000 -0.000) 0.000 35.997 ( -0.000 0.000 0.000) 0.000 37.296 ( -0.000 0.000 -0.000) 0.000 37.296 ( 0.000 0.000 0.000) 0.000 37.323 ( -0.000 0.000 -0.000) 0.000 37.323 ( 0.000 0.000 0.000) 0.000 37.683 ( -0.000 0.000 0.000) 0.000 37.683 ( 0.000 0.000 0.000) 0.000 37.868 ( -0.000 0.000 -0.000) 0.000 37.868 ( 0.000 0.000 0.000) 0.000 38.847 ( 0.000 0.000 0.000) 0.000 38.847 ( 0.000 0.000 0.000) 0.000 39.629 ( 0.000 0.000 0.000) 0.000 39.629 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 207 (98/100) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.065 -1.350 -1.814) 2.262 1.839 ( 0.065 1.350 -1.814) 2.262 2.021 ( -5.584 -7.280 4.094) 10.047 2.021 ( -5.584 7.280 4.094) 10.047 2.339 ( 2.493 -6.878 -7.329) 10.356 2.339 ( 2.493 6.878 -7.329) 10.356 2.526 ( -4.587 -5.337 2.138) 7.355 2.526 ( -4.587 5.337 2.138) 7.355 2.837 ( 7.028 -4.497 -1.207) 8.430 2.837 ( 7.028 4.497 -1.207) 8.430 3.059 ( 2.428 -0.389 -1.941) 3.133 3.059 ( 2.428 0.389 -1.941) 3.133 3.707 ( -2.927 -7.630 0.368) 8.181 3.707 ( -2.927 7.630 0.368) 8.181 4.324 ( -9.239 -2.241 -0.440) 9.517 4.324 ( -9.239 2.241 -0.440) 9.517 4.428 ( 1.693 -5.114 -4.443) 6.983 4.428 ( 1.693 5.114 -4.443) 6.983 4.716 ( -0.235 -4.951 -2.070) 5.371 4.716 ( -0.235 4.951 -2.070) 5.371 4.799 ( 8.615 -4.204 2.145) 9.823 4.799 ( 8.615 4.204 2.145) 9.823 5.114 ( 4.463 -2.604 1.644) 5.423 5.114 ( 4.463 2.604 1.644) 5.423 5.339 ( -3.187 -5.470 -5.534) 8.408 5.339 ( -3.187 5.470 -5.534) 8.408 5.493 ( 2.198 -4.923 3.861) 6.632 5.493 ( 2.198 4.923 3.861) 6.632 5.768 ( 1.474 -2.739 -1.691) 3.541 5.768 ( 1.474 2.739 -1.691) 3.541 6.020 ( 8.318 -5.865 3.579) 10.789 6.020 ( 8.318 5.865 3.579) 10.789 6.364 ( 2.579 -3.636 6.217) 7.650 6.364 ( 2.579 3.636 6.217) 7.650 6.541 ( 8.781 -3.877 -3.356) 10.169 6.541 ( 8.781 3.877 -3.356) 10.169 6.980 ( -8.157 -4.302 -1.099) 9.287 6.980 ( -8.157 4.302 -1.099) 9.287 7.205 ( -7.927 -5.746 -1.713) 9.939 7.205 ( -7.927 5.746 -1.713) 9.939 7.321 ( -2.303 -5.264 2.354) 6.209 7.321 ( -2.303 5.264 2.354) 6.209 7.627 ( 4.707 -5.378 -4.389) 8.387 7.627 ( 4.707 5.378 -4.389) 8.387 7.728 ( 2.303 -5.417 -3.477) 6.836 7.728 ( 2.303 5.417 -3.477) 6.836 7.941 ( 4.189 -1.076 4.639) 6.342 7.941 ( 4.189 1.076 4.639) 6.342 8.186 ( -6.600 -2.069 5.147) 8.622 8.186 ( -6.600 2.069 5.147) 8.622 8.247 ( 5.192 -2.577 -4.531) 7.358 8.247 ( 5.192 2.577 -4.531) 7.358 8.368 ( 3.946 -2.145 -3.864) 5.924 8.368 ( 3.946 2.145 -3.864) 5.924 8.975 ( -4.107 -3.396 -4.752) 7.140 8.975 ( -4.107 3.396 -4.752) 7.140 9.137 ( -5.653 -4.541 7.205) 10.222 9.137 ( -5.653 4.541 7.205) 10.222 9.343 ( -2.906 -4.473 3.621) 6.446 9.343 ( -2.906 4.473 3.621) 6.446 9.523 ( -4.572 -7.933 -5.062) 10.463 9.523 ( -4.572 7.933 -5.062) 10.463 9.839 ( 0.962 -5.142 7.453) 9.106 9.839 ( 0.962 5.142 7.453) 9.106 10.019 ( -4.151 -1.999 0.716) 4.663 10.019 ( -4.151 1.999 0.716) 4.663 10.951 ( 1.554 -2.037 -0.516) 2.613 10.951 ( 1.554 2.037 -0.516) 2.613 11.470 ( -0.029 -2.540 0.197) 2.548 11.470 ( -0.029 2.540 0.197) 2.548 11.556 ( 0.250 -1.506 2.368) 2.818 11.556 ( 0.250 1.506 2.368) 2.818 12.484 ( 1.395 -2.409 -0.435) 2.817 12.484 ( 1.395 2.409 -0.435) 2.817 12.626 ( 0.915 -1.612 1.077) 2.144 12.626 ( 0.915 1.612 1.077) 2.144 12.791 ( -1.986 -3.392 -0.396) 3.951 12.791 ( -1.986 3.392 -0.396) 3.951 13.034 ( 1.808 -4.375 -3.043) 5.628 13.034 ( 1.808 4.375 -3.043) 5.628 14.313 ( 1.632 -1.601 -1.633) 2.810 14.313 ( 1.632 1.601 -1.633) 2.810 14.653 ( -4.678 -4.402 -0.165) 6.426 14.653 ( -4.678 4.402 -0.165) 6.426 15.010 ( 1.430 -1.829 -3.347) 4.074 15.010 ( 1.430 1.829 -3.347) 4.074 15.358 ( 0.763 -5.151 5.780) 7.779 15.358 ( 0.763 5.151 5.780) 7.779 15.547 ( 0.080 -0.336 -1.662) 1.698 15.547 ( 0.080 0.336 -1.662) 1.698 16.002 ( -7.321 -3.553 -0.717) 8.169 16.002 ( -7.321 3.553 -0.717) 8.169 16.391 ( -1.610 -1.817 -1.032) 2.638 16.391 ( -1.610 1.817 -1.032) 2.638 16.600 ( -2.665 -2.469 1.248) 3.841 16.600 ( -2.665 2.469 1.248) 3.841 16.824 ( 6.225 -2.542 4.252) 7.956 16.824 ( 6.225 2.542 4.252) 7.956 17.193 ( 0.849 -0.816 0.341) 1.226 17.193 ( 0.849 0.816 0.341) 1.226 17.523 ( -2.318 -2.978 -2.796) 4.696 17.523 ( -2.318 2.978 -2.796) 4.696 17.671 ( 0.504 -2.817 -2.682) 3.922 17.671 ( 0.504 2.817 -2.682) 3.922 18.043 ( 2.601 -4.563 1.381) 5.431 18.043 ( 2.601 4.563 1.381) 5.431 18.279 ( 6.965 -2.269 0.495) 7.342 18.279 ( 6.965 2.269 0.495) 7.342 18.904 ( -5.340 -0.514 -0.354) 5.376 18.904 ( -5.340 0.514 -0.354) 5.376 19.136 ( 1.570 -0.503 0.015) 1.648 19.136 ( 1.570 0.503 0.015) 1.648 21.123 ( -0.194 -2.156 -0.116) 2.168 21.123 ( -0.194 2.156 -0.116) 2.168 21.272 ( -2.986 -3.389 -0.445) 4.539 21.272 ( -2.986 3.389 -0.445) 4.539 21.358 ( 2.198 -2.177 -0.734) 3.180 21.358 ( 2.198 2.177 -0.734) 3.180 21.534 ( -0.169 -0.303 2.169) 2.196 21.534 ( -0.169 0.303 2.169) 2.196 26.852 ( -0.838 -0.622 0.620) 1.214 26.852 ( -0.838 0.622 0.620) 1.214 26.887 ( 0.353 -0.293 -0.925) 1.033 26.887 ( 0.353 0.293 -0.925) 1.033 27.672 ( 0.298 -0.172 -0.187) 0.392 27.672 ( 0.298 0.172 -0.187) 0.392 27.722 ( 0.682 -0.211 0.175) 0.735 27.722 ( 0.682 0.211 0.175) 0.735 35.919 ( -4.508 -4.888 2.075) 6.966 35.919 ( -4.508 4.888 2.075) 6.966 36.004 ( 2.453 -5.069 -6.644) 8.709 36.004 ( 2.453 5.069 -6.644) 8.709 37.186 ( 0.578 -0.460 -7.765) 7.800 37.186 ( 0.578 0.460 -7.765) 7.800 37.424 ( -4.407 -3.369 9.756) 11.223 37.424 ( -4.407 3.369 9.756) 11.223 37.706 ( 6.868 -1.650 -1.187) 7.162 37.706 ( 6.868 1.650 -1.187) 7.162 37.982 ( 8.654 -1.421 1.722) 8.937 37.982 ( 8.654 1.421 1.722) 8.937 38.766 ( -5.553 -7.609 -4.477) 10.430 38.766 ( -5.553 7.609 -4.477) 10.430 39.677 ( 1.648 -7.018 5.254) 8.920 39.677 ( 1.648 7.018 5.254) 8.920 ======================= Grid point 209 (99/100) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -0.690 -3.648 -0.059) 3.713 1.818 ( -0.690 3.648 -0.059) 3.713 2.013 ( -0.704 -3.684 4.674) 5.993 2.013 ( -0.704 3.684 4.674) 5.993 2.196 ( -4.133 -1.269 -8.810) 9.814 2.196 ( -4.133 1.269 -8.810) 9.814 2.529 ( -0.501 -1.397 0.917) 1.745 2.529 ( -0.501 1.397 0.917) 1.745 2.970 ( 5.814 -4.532 1.694) 7.564 2.970 ( 5.814 4.532 1.694) 7.564 3.077 ( 2.271 -2.941 -3.514) 5.114 3.077 ( 2.271 2.941 -3.514) 5.114 3.678 ( 0.696 -7.680 0.266) 7.716 3.678 ( 0.696 7.680 0.266) 7.716 4.133 ( -9.181 -0.869 -1.615) 9.362 4.133 ( -9.181 0.869 -1.615) 9.362 4.427 ( -0.956 -3.990 -0.211) 4.108 4.427 ( -0.956 3.990 -0.211) 4.108 4.692 ( 1.650 -3.500 -2.632) 4.679 4.692 ( 1.650 3.500 -2.632) 4.679 4.951 ( 7.492 -5.943 -3.359) 10.136 4.951 ( 7.492 5.943 -3.359) 10.136 5.218 ( 1.900 -2.573 3.894) 5.039 5.218 ( 1.899 2.573 3.894) 5.039 5.280 ( 3.174 -8.053 -2.378) 8.976 5.280 ( 3.174 8.053 -2.378) 8.976 5.532 ( -3.301 -5.138 3.402) 6.991 5.532 ( -3.301 5.138 3.402) 6.991 5.829 ( 5.482 -4.976 -0.554) 7.425 5.829 ( 5.482 4.977 -0.554) 7.425 6.143 ( 2.878 -5.620 -3.363) 7.154 6.143 ( 2.878 5.620 -3.363) 7.154 6.511 ( 4.922 -6.893 6.686) 10.791 6.511 ( 4.922 6.893 6.686) 10.791 6.749 ( 11.233 -2.958 5.360) 12.793 6.749 ( 11.233 2.958 5.360) 12.793 6.853 ( 0.826 -4.054 -2.799) 4.995 6.853 ( 0.826 4.054 -2.799) 4.995 7.016 ( -6.892 -1.202 -2.349) 7.380 7.016 ( -6.892 1.203 -2.349) 7.380 7.302 ( -6.965 -5.490 4.214) 9.819 7.302 ( -6.965 5.490 4.214) 9.819 7.557 ( -4.543 -4.958 -12.845) 14.499 7.557 ( -4.543 4.958 -12.845) 14.499 7.782 ( 5.076 -3.714 -1.243) 6.412 7.782 ( 5.076 3.714 -1.243) 6.412 7.966 ( -0.998 -4.541 -4.746) 6.644 7.966 ( -0.998 4.541 -4.746) 6.644 8.058 ( -7.973 -7.240 8.388) 13.651 8.058 ( -7.973 7.240 8.388) 13.651 8.280 ( 2.306 -1.905 0.112) 2.993 8.280 ( 2.306 1.905 0.112) 2.993 8.576 ( 13.976 -4.380 -0.164) 14.647 8.576 ( 13.976 4.380 -0.164) 14.647 8.808 ( -7.306 -4.136 -4.946) 9.744 8.808 ( -7.306 4.136 -4.946) 9.744 9.109 ( -5.525 -3.438 5.563) 8.561 9.109 ( -5.525 3.438 5.563) 8.561 9.310 ( -0.793 -5.699 -0.590) 5.784 9.310 ( -0.793 5.699 -0.590) 5.784 9.426 ( -4.958 -11.800 2.888) 13.121 9.426 ( -4.958 11.800 2.888) 13.121 9.868 ( -2.646 -4.222 4.449) 6.679 9.868 ( -2.646 4.222 4.449) 6.679 9.972 ( -2.026 -1.381 0.861) 2.599 9.972 ( -2.026 1.381 0.861) 2.599 10.972 ( 1.468 -1.369 -1.202) 2.340 10.972 ( 1.468 1.369 -1.202) 2.340 11.476 ( 0.311 -2.456 0.502) 2.526 11.476 ( 0.311 2.456 0.502) 2.526 11.589 ( 0.344 -1.718 2.477) 3.034 11.589 ( 0.344 1.718 2.477) 3.034 12.496 ( 0.504 -2.466 -0.690) 2.610 12.496 ( 0.504 2.466 -0.690) 2.610 12.652 ( 0.605 -2.222 -0.123) 2.306 12.652 ( 0.605 2.222 -0.123) 2.306 12.763 ( -1.035 -1.698 1.289) 2.370 12.763 ( -1.035 1.698 1.289) 2.370 13.018 ( 0.548 -3.142 -4.063) 5.165 13.018 ( 0.548 3.142 -4.063) 5.165 14.348 ( 3.406 -2.636 -1.073) 4.438 14.348 ( 3.406 2.636 -1.073) 4.438 14.554 ( -5.233 -4.959 -0.187) 7.212 14.554 ( -5.233 4.959 -0.187) 7.212 15.021 ( 2.555 -0.651 -2.409) 3.571 15.021 ( 2.555 0.651 -2.409) 3.571 15.408 ( -1.755 -4.583 4.907) 6.939 15.408 ( -1.755 4.583 4.907) 6.939 15.548 ( 2.300 -1.573 -1.353) 3.097 15.548 ( 2.300 1.573 -1.353) 3.097 15.853 ( -6.708 -3.743 -0.717) 7.715 15.853 ( -6.708 3.743 -0.717) 7.715 16.373 ( 0.007 -0.765 -0.425) 0.875 16.373 ( 0.007 0.765 -0.425) 0.875 16.531 ( -4.557 -1.828 0.522) 4.937 16.531 ( -4.557 1.828 0.522) 4.937 16.982 ( 4.622 -2.695 6.022) 8.056 16.982 ( 4.622 2.695 6.022) 8.056 17.189 ( -1.060 -2.885 -1.931) 3.630 17.189 ( -1.060 2.885 -1.931) 3.630 17.503 ( 2.548 -2.119 -1.620) 3.688 17.503 ( 2.548 2.119 -1.620) 3.688 17.627 ( -1.784 -2.496 -3.012) 4.300 17.627 ( -1.784 2.496 -3.012) 4.300 18.134 ( 4.971 -2.619 0.759) 5.670 18.134 ( 4.971 2.619 0.759) 5.670 18.422 ( 7.330 -1.234 1.075) 7.510 18.422 ( 7.330 1.234 1.075) 7.510 18.773 ( -7.952 -0.759 -0.566) 8.008 18.773 ( -7.952 0.759 -0.566) 8.008 19.160 ( 1.007 -0.491 -0.195) 1.137 19.160 ( 1.007 0.492 -0.195) 1.137 21.118 ( -0.187 -2.624 -0.070) 2.631 21.118 ( -0.187 2.624 -0.070) 2.631 21.219 ( -1.916 -3.216 -0.514) 3.779 21.219 ( -1.916 3.216 -0.514) 3.779 21.396 ( 2.194 -1.882 -0.252) 2.901 21.396 ( 2.194 1.882 -0.252) 2.901 21.540 ( -1.240 -0.485 1.662) 2.130 21.540 ( -1.240 0.485 1.662) 2.130 26.845 ( -0.599 -0.668 0.852) 1.238 26.845 ( -0.599 0.668 0.852) 1.238 26.881 ( 0.149 -0.355 -1.139) 1.203 26.881 ( 0.149 0.355 -1.139) 1.203 27.676 ( 0.340 -0.169 -0.214) 0.435 27.676 ( 0.340 0.169 -0.214) 0.435 27.737 ( 0.614 -0.208 0.190) 0.675 27.737 ( 0.614 0.208 0.190) 0.675 35.868 ( -2.782 -3.460 1.965) 4.855 35.868 ( -2.782 3.460 1.965) 4.855 35.963 ( 0.643 -3.560 -6.627) 7.550 35.963 ( 0.643 3.560 -6.627) 7.550 37.183 ( 5.615 -0.129 -5.708) 8.008 37.183 ( 5.615 0.129 -5.708) 8.008 37.366 ( -8.526 -1.185 6.860) 11.008 37.366 ( -8.526 1.185 6.860) 11.008 37.875 ( 9.074 -4.106 -0.432) 9.969 37.875 ( 9.074 4.106 -0.432) 9.969 38.174 ( 8.739 -2.922 3.441) 9.836 38.174 ( 8.739 2.922 3.441) 9.836 38.584 ( -8.265 -8.949 -5.109) 13.210 38.584 ( -8.265 8.949 -5.109) 13.210 39.758 ( 1.198 -6.004 4.511) 7.605 39.758 ( 1.198 6.004 4.511) 7.605 ======================= Grid point 211 (100/100) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -0.000 0.000 -0.000) 0.000 1.816 ( 0.000 0.000 -0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.097 ( -0.000 0.000 -0.000) 0.000 2.097 ( 0.000 0.000 -0.000) 0.000 2.523 ( 0.000 0.000 -0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 3.043 ( -0.000 0.000 -0.000) 0.000 3.043 ( 0.000 0.000 0.000) 0.000 3.072 ( -0.000 0.000 -0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 -0.000) 0.000 3.717 ( 0.000 0.000 -0.000) 0.000 4.009 ( -0.000 0.000 -0.000) 0.000 4.009 ( 0.000 0.000 -0.000) 0.000 4.403 ( 0.000 0.000 -0.000) 0.000 4.403 ( 0.000 0.000 -0.000) 0.000 4.710 ( -0.000 0.000 -0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 5.017 ( 0.000 0.000 -0.000) 0.000 5.017 ( 0.000 -0.000 0.000) 0.000 5.219 ( -0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 -0.000) 0.000 5.377 ( 0.000 0.000 -0.000) 0.000 5.377 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 -0.000) 0.000 5.468 ( 0.000 0.000 -0.000) 0.000 5.914 ( -0.000 0.000 -0.000) 0.000 5.914 ( 0.000 0.000 -0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 0.000 -0.000) 0.000 6.639 ( 0.000 0.000 0.000) 0.000 6.822 ( -0.000 0.000 -0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 -0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 7.086 ( -0.000 0.000 -0.000) 0.000 7.086 ( 0.000 0.000 0.000) 0.000 7.150 ( -0.000 0.000 -0.000) 0.000 7.150 ( 0.000 0.000 0.000) 0.000 7.363 ( 0.000 0.000 -0.000) 0.000 7.363 ( 0.000 0.000 0.000) 0.000 7.855 ( -0.000 0.000 -0.000) 0.000 7.855 ( 0.000 0.000 -0.000) 0.000 7.893 ( 0.000 0.000 0.000) 0.000 7.893 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 -0.000) 0.000 8.039 ( 0.000 0.000 -0.000) 0.000 8.345 ( -0.000 0.000 -0.000) 0.000 8.345 ( 0.000 0.000 0.000) 0.000 8.604 ( -0.000 0.000 -0.000) 0.000 8.604 ( 0.000 0.000 0.000) 0.000 8.833 ( -0.000 -0.000 -0.000) 0.000 8.833 ( -0.000 0.000 -0.000) 0.000 9.015 ( 0.000 0.000 0.000) 0.000 9.015 ( 0.000 0.000 -0.000) 0.000 9.348 ( -0.000 -0.000 0.000) 0.000 9.348 ( -0.000 0.000 0.000) 0.000 9.365 ( 0.000 -0.000 -0.000) 0.000 9.365 ( 0.000 0.000 -0.000) 0.000 9.862 ( 0.000 0.000 -0.000) 0.000 9.862 ( 0.000 0.000 -0.000) 0.000 9.954 ( 0.000 -0.000 -0.000) 0.000 9.954 ( 0.000 0.000 -0.000) 0.000 10.980 ( 0.000 0.000 -0.000) 0.000 10.980 ( 0.000 0.000 -0.000) 0.000 11.483 ( 0.000 0.000 -0.000) 0.000 11.483 ( 0.000 0.000 0.000) 0.000 11.605 ( 0.000 0.000 -0.000) 0.000 11.605 ( 0.000 0.000 0.000) 0.000 12.496 ( 0.000 0.000 -0.000) 0.000 12.496 ( 0.000 0.000 0.000) 0.000 12.651 ( 0.000 0.000 -0.000) 0.000 12.651 ( 0.000 0.000 -0.000) 0.000 12.765 ( 0.000 0.000 -0.000) 0.000 12.765 ( 0.000 0.000 0.000) 0.000 13.000 ( 0.000 0.000 -0.000) 0.000 13.000 ( 0.000 0.000 0.000) 0.000 14.392 ( 0.000 0.000 -0.000) 0.000 14.392 ( -0.000 0.000 0.000) 0.000 14.485 ( 0.000 -0.000 -0.000) 0.000 14.485 ( 0.000 0.000 -0.000) 0.000 15.039 ( -0.000 0.000 -0.000) 0.000 15.039 ( 0.000 0.000 -0.000) 0.000 15.406 ( 0.000 0.000 -0.000) 0.000 15.406 ( 0.000 0.000 0.000) 0.000 15.581 ( 0.000 0.000 -0.000) 0.000 15.581 ( 0.000 -0.000 0.000) 0.000 15.774 ( 0.000 0.000 -0.000) 0.000 15.774 ( -0.000 0.000 -0.000) 0.000 16.374 ( 0.000 0.000 -0.000) 0.000 16.374 ( 0.000 0.000 -0.000) 0.000 16.482 ( -0.000 0.000 0.000) 0.000 16.482 ( 0.000 0.000 -0.000) 0.000 17.089 ( 0.000 0.000 -0.000) 0.000 17.089 ( 0.000 0.000 0.000) 0.000 17.133 ( -0.000 0.000 -0.000) 0.000 17.133 ( 0.000 0.000 0.000) 0.000 17.555 ( -0.000 -0.000 0.000) 0.000 17.555 ( -0.000 0.000 0.000) 0.000 17.564 ( 0.000 0.000 -0.000) 0.000 17.564 ( 0.000 -0.000 -0.000) 0.000 18.193 ( 0.000 0.000 -0.000) 0.000 18.193 ( 0.000 0.000 -0.000) 0.000 18.549 ( 0.000 0.000 -0.000) 0.000 18.549 ( -0.000 0.000 -0.000) 0.000 18.639 ( 0.000 0.000 -0.000) 0.000 18.639 ( 0.000 0.000 -0.000) 0.000 19.169 ( 0.000 0.000 -0.000) 0.000 19.169 ( 0.000 0.000 0.000) 0.000 21.116 ( 0.000 0.000 0.000) 0.000 21.116 ( 0.000 0.000 -0.000) 0.000 21.198 ( 0.000 -0.000 0.000) 0.000 21.198 ( 0.000 0.000 -0.000) 0.000 21.420 ( 0.000 0.000 -0.000) 0.000 21.420 ( 0.000 0.000 -0.000) 0.000 21.532 ( -0.000 0.000 -0.000) 0.000 21.532 ( 0.000 0.000 -0.000) 0.000 26.844 ( 0.000 -0.000 -0.000) 0.000 26.844 ( 0.000 0.000 0.000) 0.000 26.876 ( 0.000 0.000 -0.000) 0.000 26.876 ( 0.000 0.000 0.000) 0.000 27.679 ( 0.000 0.000 -0.000) 0.000 27.679 ( 0.000 0.000 -0.000) 0.000 27.744 ( -0.000 0.000 -0.000) 0.000 27.744 ( 0.000 0.000 -0.000) 0.000 35.853 ( 0.000 0.000 -0.000) 0.000 35.853 ( 0.000 0.000 0.000) 0.000 35.931 ( 0.000 0.000 -0.000) 0.000 35.931 ( 0.000 -0.000 0.000) 0.000 37.248 ( 0.000 0.000 -0.000) 0.000 37.248 ( 0.000 0.000 -0.000) 0.000 37.281 ( -0.000 0.000 -0.000) 0.000 37.281 ( -0.000 0.000 0.000) 0.000 37.967 ( 0.000 0.000 -0.000) 0.000 37.967 ( 0.000 0.000 -0.000) 0.000 38.364 ( -0.000 0.000 -0.000) 0.000 38.364 ( -0.000 -0.000 0.000) 0.000 38.387 ( 0.000 -0.000 -0.000) 0.000 38.387 ( 0.000 0.000 0.000) 0.000 39.793 ( 0.000 0.000 -0.000) 0.000 39.793 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/41472 10.0 980.556 1001.133 931.381 0.000 -21.666 0.000 3/41472 20.0 157.019 155.247 144.994 0.000 4.363 0.000 3/41472 30.0 53.914 53.625 47.740 0.000 1.443 0.000 3/41472 40.0 26.905 26.884 23.470 0.000 0.702 0.000 3/41472 50.0 16.401 16.424 14.284 0.000 0.452 0.000 3/41472 60.0 11.294 11.305 9.867 0.000 0.338 0.000 3/41472 70.0 8.427 8.416 7.394 0.000 0.272 0.000 3/41472 80.0 6.649 6.616 5.858 0.000 0.228 0.000 3/41472 90.0 5.461 5.411 4.828 0.000 0.196 0.000 3/41472 100.0 4.620 4.558 4.097 0.000 0.172 0.000 3/41472 110.0 3.999 3.927 3.555 0.000 0.153 0.000 3/41472 120.0 3.523 3.445 3.138 0.000 0.137 0.000 3/41472 130.0 3.147 3.067 2.808 0.000 0.124 0.000 3/41472 140.0 2.845 2.762 2.541 0.000 0.114 0.000 3/41472 150.0 2.595 2.512 2.321 0.000 0.104 0.000 3/41472 160.0 2.387 2.303 2.137 0.000 0.096 0.000 3/41472 170.0 2.210 2.127 1.980 0.000 0.089 0.000 3/41472 180.0 2.059 1.976 1.846 0.000 0.083 0.000 3/41472 190.0 1.927 1.846 1.729 0.000 0.078 0.000 3/41472 200.0 1.812 1.732 1.626 0.000 0.073 0.000 3/41472 210.0 1.710 1.631 1.536 0.000 0.069 0.000 3/41472 220.0 1.620 1.542 1.455 0.000 0.065 0.000 3/41472 230.0 1.539 1.463 1.383 0.000 0.062 0.000 3/41472 240.0 1.467 1.392 1.317 0.000 0.059 0.000 3/41472 250.0 1.401 1.327 1.258 0.000 0.056 0.000 3/41472 260.0 1.341 1.269 1.205 0.000 0.053 0.000 3/41472 270.0 1.286 1.215 1.156 0.000 0.051 0.000 3/41472 280.0 1.236 1.167 1.111 0.000 0.048 0.000 3/41472 290.0 1.190 1.122 1.069 0.000 0.046 0.000 3/41472 300.0 1.148 1.081 1.031 0.000 0.044 0.000 3/41472 310.0 1.108 1.042 0.995 0.000 0.043 0.000 3/41472 320.0 1.072 1.007 0.962 0.000 0.041 0.000 3/41472 330.0 1.038 0.974 0.931 0.000 0.040 0.000 3/41472 340.0 1.006 0.943 0.903 0.000 0.038 0.000 3/41472 350.0 0.976 0.914 0.876 0.000 0.037 0.000 3/41472 360.0 0.948 0.887 0.850 0.000 0.035 0.000 3/41472 370.0 0.922 0.862 0.827 0.000 0.034 0.000 3/41472 380.0 0.897 0.838 0.804 0.000 0.033 0.000 3/41472 390.0 0.874 0.816 0.783 0.000 0.032 0.000 3/41472 400.0 0.852 0.795 0.763 0.000 0.031 0.000 3/41472 410.0 0.831 0.775 0.744 0.000 0.030 0.000 3/41472 420.0 0.812 0.756 0.726 0.000 0.029 0.000 3/41472 430.0 0.793 0.737 0.709 0.000 0.028 0.000 3/41472 440.0 0.775 0.720 0.693 0.000 0.028 0.000 3/41472 450.0 0.758 0.704 0.677 0.000 0.027 0.000 3/41472 460.0 0.742 0.688 0.663 0.000 0.026 0.000 3/41472 470.0 0.727 0.674 0.648 0.000 0.025 0.000 3/41472 480.0 0.712 0.659 0.635 0.000 0.025 0.000 3/41472 490.0 0.698 0.646 0.622 0.000 0.024 0.000 3/41472 500.0 0.684 0.633 0.610 0.000 0.024 0.000 3/41472 510.0 0.671 0.621 0.598 0.000 0.023 0.000 3/41472 520.0 0.659 0.609 0.586 0.000 0.022 0.000 3/41472 530.0 0.647 0.597 0.575 0.000 0.022 0.000 3/41472 540.0 0.635 0.586 0.565 0.000 0.021 0.000 3/41472 550.0 0.624 0.576 0.555 0.000 0.021 0.000 3/41472 560.0 0.614 0.565 0.545 0.000 0.020 0.000 3/41472 570.0 0.603 0.556 0.536 0.000 0.020 0.000 3/41472 580.0 0.593 0.546 0.527 0.000 0.020 0.000 3/41472 590.0 0.584 0.537 0.518 0.000 0.019 0.000 3/41472 600.0 0.575 0.528 0.509 0.000 0.019 0.000 3/41472 610.0 0.566 0.520 0.501 0.000 0.018 0.000 3/41472 620.0 0.557 0.512 0.493 0.000 0.018 0.000 3/41472 630.0 0.549 0.504 0.486 0.000 0.018 0.000 3/41472 640.0 0.541 0.496 0.478 0.000 0.017 0.000 3/41472 650.0 0.533 0.488 0.471 0.000 0.017 0.000 3/41472 660.0 0.525 0.481 0.464 0.000 0.017 0.000 3/41472 670.0 0.518 0.474 0.458 0.000 0.016 0.000 3/41472 680.0 0.511 0.467 0.451 0.000 0.016 0.000 3/41472 690.0 0.504 0.461 0.445 0.000 0.016 0.000 3/41472 700.0 0.497 0.454 0.439 0.000 0.015 0.000 3/41472 710.0 0.490 0.448 0.433 0.000 0.015 0.000 3/41472 720.0 0.484 0.442 0.427 0.000 0.015 0.000 3/41472 730.0 0.478 0.436 0.421 0.000 0.015 0.000 3/41472 740.0 0.472 0.431 0.416 0.000 0.014 0.000 3/41472 750.0 0.466 0.425 0.410 0.000 0.014 0.000 3/41472 760.0 0.460 0.420 0.405 0.000 0.014 0.000 3/41472 770.0 0.454 0.414 0.400 0.000 0.014 0.000 3/41472 780.0 0.449 0.409 0.395 0.000 0.013 0.000 3/41472 790.0 0.444 0.404 0.390 0.000 0.013 0.000 3/41472 800.0 0.438 0.399 0.385 0.000 0.013 0.000 3/41472 810.0 0.433 0.394 0.381 0.000 0.013 0.000 3/41472 820.0 0.428 0.390 0.376 0.000 0.013 0.000 3/41472 830.0 0.424 0.385 0.372 0.000 0.012 0.000 3/41472 840.0 0.419 0.381 0.368 0.000 0.012 0.000 3/41472 850.0 0.414 0.377 0.363 0.000 0.012 0.000 3/41472 860.0 0.410 0.372 0.359 0.000 0.012 0.000 3/41472 870.0 0.405 0.368 0.355 0.000 0.012 0.000 3/41472 880.0 0.401 0.364 0.352 0.000 0.011 0.000 3/41472 890.0 0.397 0.360 0.348 0.000 0.011 0.000 3/41472 900.0 0.393 0.356 0.344 0.000 0.011 0.000 3/41472 910.0 0.389 0.353 0.340 0.000 0.011 0.000 3/41472 920.0 0.385 0.349 0.337 0.000 0.011 0.000 3/41472 930.0 0.381 0.345 0.333 0.000 0.011 0.000 3/41472 940.0 0.377 0.342 0.330 0.000 0.011 0.000 3/41472 950.0 0.373 0.338 0.327 0.000 0.010 0.000 3/41472 960.0 0.370 0.335 0.323 0.000 0.010 0.000 3/41472 970.0 0.366 0.332 0.320 0.000 0.010 0.000 3/41472 980.0 0.363 0.328 0.317 0.000 0.010 0.000 3/41472 990.0 0.359 0.325 0.314 0.000 0.010 0.000 3/41472 1000.0 0.356 0.322 0.311 0.000 0.010 0.000 3/41472 Thermal conductivity related properties were written into "kappa-m686.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:04:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|