----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:40:03]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.499297429999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.780217319999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.168348149999998 Atomic positions (fractional): *1 O 0.59912926348896 0.25000000000000 0.43021576746345 15.999 2 O 0.40087073651104 0.75000000000000 0.56978423253655 15.999 3 O 0.90087073651104 0.75000000000000 0.93021576746345 15.999 4 O 0.09912926348895 0.25000000000000 0.06978423253655 15.999 *5 O 0.27555915002965 0.00390356254436 0.85431741681836 15.999 6 O 0.72444084997035 0.50390356254436 0.14568258318164 15.999 7 O 0.22444084997035 0.99609643745564 0.35431741681836 15.999 8 O 0.77555915002965 0.49609643745564 0.64568258318164 15.999 9 O 0.72444084997035 0.99609643745564 0.14568258318164 15.999 10 O 0.27555915002965 0.49609643745564 0.85431741681836 15.999 11 O 0.77555915002965 0.00390356254436 0.64568258318164 15.999 12 O 0.22444084997035 0.50390356254436 0.35431741681836 15.999 *13 O 0.06496262622816 0.49441458887952 0.66885515320807 15.999 14 O 0.93503737377185 0.99441458887951 0.33114484679193 15.999 15 O 0.43503737377184 0.50558541112049 0.16885515320807 15.999 16 O 0.56496262622815 0.00558541112049 0.83114484679193 15.999 17 O 0.43503737377184 0.99441458887951 0.16885515320807 15.999 18 O 0.56496262622815 0.49441458887952 0.83114484679193 15.999 19 O 0.06496262622816 0.00558541112049 0.66885515320807 15.999 20 O 0.93503737377185 0.50558541112049 0.33114484679193 15.999 *21 Zn 0.15043487482081 0.25000000000000 0.80905804038615 65.380 22 Zn 0.84956512517919 0.75000000000000 0.19094195961385 65.380 23 Zn 0.34956512517919 0.75000000000000 0.30905804038615 65.380 24 Zn 0.65043487482081 0.25000000000000 0.69094195961385 65.380 *25 Ba 0.09919667252260 0.75000000000000 0.07684284561788 137.327 26 Ba 0.59919667252260 0.75000000000000 0.42315715438212 137.327 27 Ba 0.40080332747740 0.25000000000000 0.57684284561788 137.327 28 Ba 0.90080332747740 0.25000000000000 0.92315715438212 137.327 *29 Sm 0.07490926440998 0.25000000000000 0.39946637429522 150.360 *30 Sm 0.20734942128298 0.75000000000000 0.61894922440185 150.360 31 Sm 0.70734942128298 0.75000000000000 0.88105077559815 150.360 32 Sm 0.29265057871702 0.25000000000000 0.11894922440185 150.360 33 Sm 0.92509073559001 0.75000000000000 0.60053362570478 150.360 34 Sm 0.42509073559001 0.75000000000000 0.89946637429522 150.360 35 Sm 0.57490926440999 0.25000000000000 0.10053362570478 150.360 36 Sm 0.79265057871702 0.25000000000000 0.38105077559815 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.499297429999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.780217319999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.168348149999998 Atomic positions (fractional): *1 O 0.59912926348896 0.25000000000000 0.43021576746345 15.999 > 1 2 O 0.40087073651104 0.75000000000000 0.56978423253655 15.999 > 2 3 O 0.90087073651104 0.75000000000000 0.93021576746345 15.999 > 3 4 O 0.09912926348895 0.25000000000000 0.06978423253655 15.999 > 4 *5 O 0.27555915002965 0.00390356254436 0.85431741681836 15.999 > 5 6 O 0.72444084997035 0.50390356254436 0.14568258318164 15.999 > 6 7 O 0.22444084997035 0.99609643745564 0.35431741681836 15.999 > 7 8 O 0.77555915002965 0.49609643745564 0.64568258318164 15.999 > 8 9 O 0.72444084997035 0.99609643745564 0.14568258318164 15.999 > 9 10 O 0.27555915002965 0.49609643745564 0.85431741681836 15.999 > 10 11 O 0.77555915002965 0.00390356254436 0.64568258318164 15.999 > 11 12 O 0.22444084997035 0.50390356254436 0.35431741681836 15.999 > 12 *13 O 0.06496262622816 0.49441458887952 0.66885515320807 15.999 > 13 14 O 0.93503737377185 0.99441458887951 0.33114484679193 15.999 > 14 15 O 0.43503737377184 0.50558541112049 0.16885515320807 15.999 > 15 16 O 0.56496262622815 0.00558541112049 0.83114484679193 15.999 > 16 17 O 0.43503737377184 0.99441458887951 0.16885515320807 15.999 > 17 18 O 0.56496262622815 0.49441458887952 0.83114484679193 15.999 > 18 19 O 0.06496262622816 0.00558541112049 0.66885515320807 15.999 > 19 20 O 0.93503737377185 0.50558541112049 0.33114484679193 15.999 > 20 *21 Zn 0.15043487482081 0.25000000000000 0.80905804038615 65.380 > 21 22 Zn 0.84956512517919 0.75000000000000 0.19094195961385 65.380 > 22 23 Zn 0.34956512517919 0.75000000000000 0.30905804038615 65.380 > 23 24 Zn 0.65043487482081 0.25000000000000 0.69094195961385 65.380 > 24 *25 Ba 0.09919667252260 0.75000000000000 0.07684284561788 137.327 > 25 26 Ba 0.59919667252260 0.75000000000000 0.42315715438212 137.327 > 26 27 Ba 0.40080332747740 0.25000000000000 0.57684284561788 137.327 > 27 28 Ba 0.90080332747740 0.25000000000000 0.92315715438212 137.327 > 28 *29 Sm 0.07490926440998 0.25000000000000 0.39946637429522 150.360 > 29 *30 Sm 0.20734942128298 0.75000000000000 0.61894922440185 150.360 > 30 31 Sm 0.70734942128298 0.75000000000000 0.88105077559815 150.360 > 31 32 Sm 0.29265057871702 0.25000000000000 0.11894922440185 150.360 > 32 33 Sm 0.92509073559001 0.75000000000000 0.60053362570478 150.360 > 33 34 Sm 0.42509073559001 0.75000000000000 0.89946637429522 150.360 > 34 35 Sm 0.57490926440999 0.25000000000000 0.10053362570478 150.360 > 35 36 Sm 0.79265057871702 0.25000000000000 0.38105077559815 150.360 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.499297429999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.560434639999997 0.000000000000000 c 0.000000000000000 0.000000000000000 14.336696299999996 Atomic positions (fractional): *1 O 0.59912926348896 0.12500000000000 0.21510788373172 15.999 > 1 2 O 0.59912926348896 0.62500000000000 0.21510788373172 15.999 > 1 3 O 0.59912926348896 0.12500000000000 0.71510788373172 15.999 > 1 4 O 0.59912926348896 0.62500000000000 0.71510788373172 15.999 > 1 5 O 0.40087073651104 0.37500000000000 0.28489211626828 15.999 > 2 6 O 0.40087073651104 0.87500000000000 0.28489211626828 15.999 > 2 7 O 0.40087073651104 0.37500000000000 0.78489211626828 15.999 > 2 8 O 0.40087073651104 0.87500000000000 0.78489211626828 15.999 > 2 9 O 0.90087073651104 0.37500000000000 0.46510788373172 15.999 > 3 10 O 0.90087073651104 0.87500000000000 0.46510788373172 15.999 > 3 11 O 0.90087073651104 0.37500000000000 0.96510788373172 15.999 > 3 12 O 0.90087073651104 0.87500000000000 0.96510788373172 15.999 > 3 13 O 0.09912926348895 0.12500000000000 0.03489211626828 15.999 > 4 14 O 0.09912926348895 0.62500000000000 0.03489211626828 15.999 > 4 15 O 0.09912926348895 0.12500000000000 0.53489211626828 15.999 > 4 16 O 0.09912926348895 0.62500000000000 0.53489211626828 15.999 > 4 *17 O 0.27555915002965 0.00195178127218 0.42715870840918 15.999 > 5 18 O 0.27555915002965 0.50195178127218 0.42715870840918 15.999 > 5 19 O 0.27555915002965 0.00195178127218 0.92715870840918 15.999 > 5 20 O 0.27555915002965 0.50195178127218 0.92715870840918 15.999 > 5 21 O 0.72444084997035 0.25195178127218 0.07284129159082 15.999 > 6 22 O 0.72444084997035 0.75195178127218 0.07284129159082 15.999 > 6 23 O 0.72444084997035 0.25195178127218 0.57284129159082 15.999 > 6 24 O 0.72444084997035 0.75195178127218 0.57284129159082 15.999 > 6 25 O 0.22444084997035 0.49804821872782 0.17715870840918 15.999 > 7 26 O 0.22444084997035 0.99804821872782 0.17715870840918 15.999 > 7 27 O 0.22444084997035 0.49804821872782 0.67715870840918 15.999 > 7 28 O 0.22444084997035 0.99804821872782 0.67715870840918 15.999 > 7 29 O 0.77555915002965 0.24804821872782 0.32284129159082 15.999 > 8 30 O 0.77555915002965 0.74804821872782 0.32284129159082 15.999 > 8 31 O 0.77555915002965 0.24804821872782 0.82284129159082 15.999 > 8 32 O 0.77555915002965 0.74804821872782 0.82284129159082 15.999 > 8 33 O 0.72444084997035 0.49804821872782 0.07284129159082 15.999 > 9 34 O 0.72444084997035 0.99804821872782 0.07284129159082 15.999 > 9 35 O 0.72444084997035 0.49804821872782 0.57284129159082 15.999 > 9 36 O 0.72444084997035 0.99804821872782 0.57284129159082 15.999 > 9 37 O 0.27555915002965 0.24804821872782 0.42715870840918 15.999 > 10 38 O 0.27555915002965 0.74804821872782 0.42715870840918 15.999 > 10 39 O 0.27555915002965 0.24804821872782 0.92715870840918 15.999 > 10 40 O 0.27555915002965 0.74804821872782 0.92715870840918 15.999 > 10 41 O 0.77555915002965 0.00195178127218 0.32284129159082 15.999 > 11 42 O 0.77555915002965 0.50195178127218 0.32284129159082 15.999 > 11 43 O 0.77555915002965 0.00195178127218 0.82284129159082 15.999 > 11 44 O 0.77555915002965 0.50195178127218 0.82284129159082 15.999 > 11 45 O 0.22444084997035 0.25195178127218 0.17715870840918 15.999 > 12 46 O 0.22444084997035 0.75195178127218 0.17715870840918 15.999 > 12 47 O 0.22444084997035 0.25195178127218 0.67715870840918 15.999 > 12 48 O 0.22444084997035 0.75195178127218 0.67715870840918 15.999 > 12 *49 O 0.06496262622816 0.24720729443976 0.33442757660403 15.999 > 13 50 O 0.06496262622816 0.74720729443976 0.33442757660403 15.999 > 13 51 O 0.06496262622816 0.24720729443976 0.83442757660403 15.999 > 13 52 O 0.06496262622816 0.74720729443976 0.83442757660403 15.999 > 13 53 O 0.93503737377185 0.49720729443976 0.16557242339597 15.999 > 14 54 O 0.93503737377185 0.99720729443976 0.16557242339597 15.999 > 14 55 O 0.93503737377185 0.49720729443976 0.66557242339597 15.999 > 14 56 O 0.93503737377185 0.99720729443976 0.66557242339597 15.999 > 14 57 O 0.43503737377184 0.25279270556024 0.08442757660404 15.999 > 15 58 O 0.43503737377184 0.75279270556024 0.08442757660404 15.999 > 15 59 O 0.43503737377184 0.25279270556024 0.58442757660403 15.999 > 15 60 O 0.43503737377184 0.75279270556024 0.58442757660403 15.999 > 15 61 O 0.56496262622815 0.00279270556024 0.41557242339597 15.999 > 16 62 O 0.56496262622815 0.50279270556024 0.41557242339597 15.999 > 16 63 O 0.56496262622815 0.00279270556024 0.91557242339597 15.999 > 16 64 O 0.56496262622815 0.50279270556024 0.91557242339597 15.999 > 16 65 O 0.43503737377184 0.49720729443976 0.08442757660404 15.999 > 17 66 O 0.43503737377184 0.99720729443976 0.08442757660404 15.999 > 17 67 O 0.43503737377184 0.49720729443976 0.58442757660403 15.999 > 17 68 O 0.43503737377184 0.99720729443976 0.58442757660403 15.999 > 17 69 O 0.56496262622815 0.24720729443976 0.41557242339597 15.999 > 18 70 O 0.56496262622815 0.74720729443976 0.41557242339597 15.999 > 18 71 O 0.56496262622815 0.24720729443976 0.91557242339597 15.999 > 18 72 O 0.56496262622815 0.74720729443976 0.91557242339597 15.999 > 18 73 O 0.06496262622816 0.00279270556024 0.33442757660403 15.999 > 19 74 O 0.06496262622816 0.50279270556024 0.33442757660403 15.999 > 19 75 O 0.06496262622816 0.00279270556024 0.83442757660403 15.999 > 19 76 O 0.06496262622816 0.50279270556024 0.83442757660403 15.999 > 19 77 O 0.93503737377185 0.25279270556024 0.16557242339597 15.999 > 20 78 O 0.93503737377185 0.75279270556024 0.16557242339597 15.999 > 20 79 O 0.93503737377185 0.25279270556024 0.66557242339597 15.999 > 20 80 O 0.93503737377185 0.75279270556024 0.66557242339597 15.999 > 20 *81 Zn 0.15043487482081 0.12500000000000 0.40452902019308 65.380 > 21 82 Zn 0.15043487482081 0.62500000000000 0.40452902019308 65.380 > 21 83 Zn 0.15043487482081 0.12500000000000 0.90452902019308 65.380 > 21 84 Zn 0.15043487482081 0.62500000000000 0.90452902019308 65.380 > 21 85 Zn 0.84956512517919 0.37500000000000 0.09547097980692 65.380 > 22 86 Zn 0.84956512517919 0.87500000000000 0.09547097980692 65.380 > 22 87 Zn 0.84956512517919 0.37500000000000 0.59547097980692 65.380 > 22 88 Zn 0.84956512517919 0.87500000000000 0.59547097980692 65.380 > 22 89 Zn 0.34956512517919 0.37500000000000 0.15452902019308 65.380 > 23 90 Zn 0.34956512517919 0.87500000000000 0.15452902019308 65.380 > 23 91 Zn 0.34956512517919 0.37500000000000 0.65452902019308 65.380 > 23 92 Zn 0.34956512517919 0.87500000000000 0.65452902019308 65.380 > 23 93 Zn 0.65043487482081 0.12500000000000 0.34547097980692 65.380 > 24 94 Zn 0.65043487482081 0.62500000000000 0.34547097980692 65.380 > 24 95 Zn 0.65043487482081 0.12500000000000 0.84547097980692 65.380 > 24 96 Zn 0.65043487482081 0.62500000000000 0.84547097980692 65.380 > 24 *97 Ba 0.09919667252260 0.37500000000000 0.03842142280894 137.327 > 25 98 Ba 0.09919667252260 0.87500000000000 0.03842142280894 137.327 > 25 99 Ba 0.09919667252260 0.37500000000000 0.53842142280894 137.327 > 25 100 Ba 0.09919667252260 0.87500000000000 0.53842142280894 137.327 > 25 101 Ba 0.59919667252260 0.37500000000000 0.21157857719106 137.327 > 26 102 Ba 0.59919667252260 0.87500000000000 0.21157857719106 137.327 > 26 103 Ba 0.59919667252260 0.37500000000000 0.71157857719106 137.327 > 26 104 Ba 0.59919667252260 0.87500000000000 0.71157857719106 137.327 > 26 105 Ba 0.40080332747740 0.12500000000000 0.28842142280894 137.327 > 27 106 Ba 0.40080332747740 0.62500000000000 0.28842142280894 137.327 > 27 107 Ba 0.40080332747740 0.12500000000000 0.78842142280894 137.327 > 27 108 Ba 0.40080332747740 0.62500000000000 0.78842142280894 137.327 > 27 109 Ba 0.90080332747740 0.12500000000000 0.46157857719106 137.327 > 28 110 Ba 0.90080332747740 0.62500000000000 0.46157857719106 137.327 > 28 111 Ba 0.90080332747740 0.12500000000000 0.96157857719106 137.327 > 28 112 Ba 0.90080332747740 0.62500000000000 0.96157857719106 137.327 > 28 *113 Sm 0.07490926440998 0.12500000000000 0.19973318714761 150.360 > 29 114 Sm 0.07490926440998 0.62500000000000 0.19973318714761 150.360 > 29 115 Sm 0.07490926440998 0.12500000000000 0.69973318714761 150.360 > 29 116 Sm 0.07490926440998 0.62500000000000 0.69973318714761 150.360 > 29 *117 Sm 0.20734942128298 0.37500000000000 0.30947461220093 150.360 > 30 118 Sm 0.20734942128298 0.87500000000000 0.30947461220093 150.360 > 30 119 Sm 0.20734942128298 0.37500000000000 0.80947461220093 150.360 > 30 120 Sm 0.20734942128298 0.87500000000000 0.80947461220093 150.360 > 30 121 Sm 0.70734942128298 0.37500000000000 0.44052538779907 150.360 > 31 122 Sm 0.70734942128298 0.87500000000000 0.44052538779907 150.360 > 31 123 Sm 0.70734942128298 0.37500000000000 0.94052538779907 150.360 > 31 124 Sm 0.70734942128298 0.87500000000000 0.94052538779907 150.360 > 31 125 Sm 0.29265057871702 0.12500000000000 0.05947461220093 150.360 > 32 126 Sm 0.29265057871702 0.62500000000000 0.05947461220093 150.360 > 32 127 Sm 0.29265057871702 0.12500000000000 0.55947461220093 150.360 > 32 128 Sm 0.29265057871702 0.62500000000000 0.55947461220093 150.360 > 32 129 Sm 0.92509073559001 0.37500000000000 0.30026681285239 150.360 > 33 130 Sm 0.92509073559001 0.87500000000000 0.30026681285239 150.360 > 33 131 Sm 0.92509073559001 0.37500000000000 0.80026681285239 150.360 > 33 132 Sm 0.92509073559001 0.87500000000000 0.80026681285239 150.360 > 33 133 Sm 0.42509073559001 0.37500000000000 0.44973318714761 150.360 > 34 134 Sm 0.42509073559001 0.87500000000000 0.44973318714761 150.360 > 34 135 Sm 0.42509073559001 0.37500000000000 0.94973318714761 150.360 > 34 136 Sm 0.42509073559001 0.87500000000000 0.94973318714761 150.360 > 34 137 Sm 0.57490926440999 0.12500000000000 0.05026681285239 150.360 > 35 138 Sm 0.57490926440999 0.62500000000000 0.05026681285239 150.360 > 35 139 Sm 0.57490926440999 0.12500000000000 0.55026681285239 150.360 > 35 140 Sm 0.57490926440999 0.62500000000000 0.55026681285239 150.360 > 35 141 Sm 0.79265057871702 0.12500000000000 0.19052538779907 150.360 > 36 142 Sm 0.79265057871702 0.62500000000000 0.19052538779907 150.360 > 36 143 Sm 0.79265057871702 0.12500000000000 0.69052538779907 150.360 > 36 144 Sm 0.79265057871702 0.62500000000000 0.69052538779907 150.360 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8056698 0.0000000 0.0000000 0.0000000 4.7858012 0.0000000 0.0000000 0.0000000 4.6596917 -------------------------- Born effective charges -------------------------- 1 O -2.6220505 0.0000000 -0.0503825 0.0000000 -2.0386211 0.0000000 -0.0203547 0.0000000 -2.9092689 2 O -2.6220505 0.0000000 -0.0503825 0.0000000 -2.0386211 0.0000000 -0.0203547 0.0000000 -2.9092689 3 O -2.6220505 0.0000000 0.0503825 0.0000000 -2.0386211 0.0000000 0.0203547 0.0000000 -2.9092689 4 O -2.6220505 0.0000000 0.0503825 0.0000000 -2.0386211 0.0000000 0.0203547 0.0000000 -2.9092689 5 O -2.4232238 0.2999562 -0.2159028 0.3000558 -2.7595813 -0.5432476 -0.2441086 -0.5103531 -2.5192497 6 O -2.4232238 -0.2999562 -0.2159028 -0.3000558 -2.7595813 0.5432476 -0.2441086 0.5103531 -2.5192497 7 O -2.4232238 0.2999562 0.2159028 0.3000558 -2.7595813 0.5432476 0.2441086 0.5103531 -2.5192497 8 O -2.4232238 -0.2999562 0.2159028 -0.3000558 -2.7595813 -0.5432476 0.2441086 -0.5103531 -2.5192497 9 O -2.4232238 0.2999562 -0.2159028 0.3000558 -2.7595813 -0.5432476 -0.2441086 -0.5103531 -2.5192497 10 O -2.4232238 -0.2999562 -0.2159028 -0.3000558 -2.7595813 0.5432476 -0.2441086 0.5103531 -2.5192497 11 O -2.4232238 0.2999562 0.2159028 0.3000558 -2.7595813 0.5432476 0.2441086 0.5103531 -2.5192497 12 O -2.4232238 -0.2999562 0.2159028 -0.3000558 -2.7595813 -0.5432476 0.2441086 -0.5103531 -2.5192497 13 O -2.6422162 0.1398800 -0.1744230 0.1819842 -2.6688458 0.0171743 -0.0859366 -0.0080980 -2.1415475 14 O -2.6422162 -0.1398800 -0.1744230 -0.1819842 -2.6688458 -0.0171743 -0.0859366 0.0080980 -2.1415475 15 O -2.6422162 0.1398800 0.1744230 0.1819842 -2.6688458 -0.0171743 0.0859366 0.0080980 -2.1415475 16 O -2.6422162 -0.1398800 0.1744230 -0.1819842 -2.6688458 0.0171743 0.0859366 -0.0080980 -2.1415475 17 O -2.6422162 -0.1398800 0.1744230 -0.1819842 -2.6688458 0.0171743 0.0859366 -0.0080980 -2.1415475 18 O -2.6422162 0.1398800 0.1744230 0.1819842 -2.6688458 -0.0171743 0.0859366 0.0080980 -2.1415475 19 O -2.6422162 -0.1398800 -0.1744230 -0.1819842 -2.6688458 -0.0171743 -0.0859366 0.0080980 -2.1415475 20 O -2.6422162 0.1398800 -0.1744230 0.1819842 -2.6688458 0.0171743 -0.0859366 -0.0080980 -2.1415475 21 Zn 2.0448923 0.0000000 0.3187918 0.0000000 2.3642480 0.0000000 0.2967770 0.0000000 1.8748721 22 Zn 2.0448923 0.0000000 0.3187918 0.0000000 2.3642480 0.0000000 0.2967770 0.0000000 1.8748721 23 Zn 2.0448923 0.0000000 -0.3187918 0.0000000 2.3642480 0.0000000 -0.2967770 0.0000000 1.8748721 24 Zn 2.0448923 0.0000000 -0.3187918 0.0000000 2.3642480 0.0000000 -0.2967770 0.0000000 1.8748721 25 Ba 2.8932210 0.0000000 0.1451077 0.0000000 2.8613237 0.0000000 0.1090024 0.0000000 2.6172785 26 Ba 2.8932210 0.0000000 -0.1451077 0.0000000 2.8613237 0.0000000 -0.1090024 0.0000000 2.6172785 27 Ba 2.8932210 0.0000000 -0.1451077 0.0000000 2.8613237 0.0000000 -0.1090024 0.0000000 2.6172785 28 Ba 2.8932210 0.0000000 0.1451077 0.0000000 2.8613237 0.0000000 0.1090024 0.0000000 2.6172785 29 Sm 4.0895292 0.0000000 -0.0096066 0.0000000 3.8182182 0.0000000 -0.1400286 0.0000000 3.8516193 30 Sm 3.7252881 0.0000000 -0.0237935 0.0000000 3.8516853 0.0000000 -0.0378859 0.0000000 3.8870933 31 Sm 3.7252881 0.0000000 0.0237935 0.0000000 3.8516853 0.0000000 0.0378859 0.0000000 3.8870933 32 Sm 3.7252881 0.0000000 0.0237935 0.0000000 3.8516853 0.0000000 0.0378859 0.0000000 3.8870933 33 Sm 4.0895292 0.0000000 -0.0096066 0.0000000 3.8182182 0.0000000 -0.1400286 0.0000000 3.8516193 34 Sm 4.0895292 0.0000000 0.0096066 0.0000000 3.8182182 0.0000000 0.1400286 0.0000000 3.8516193 35 Sm 4.0895292 0.0000000 0.0096066 0.0000000 3.8182182 0.0000000 0.1400286 0.0000000 3.8516193 36 Sm 3.7252881 0.0000000 -0.0237935 0.0000000 3.8516853 0.0000000 -0.0378859 0.0000000 3.8870933 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3101 Number of blocks in projector: 3101 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 236 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 419 Use standard eigh solver. Tree of FC basis block matrices: - (3101, 3058), data: False |-- (419, 412), data: True |-- (419, 412), data: True |-- (419, 412), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 734), data: False |-- (748, 12), data: (748, 26) @ (26, 12) |-- (248, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.275 Solver_block: 200 / 560 - Time: 1.248 Solver_block: 300 / 560 - Time: 1.141 Solver_block: 400 / 560 - Time: 2.256 Solver_block: 500 / 560 - Time: 2.464 Solver_block: 560 / 560 - Time: 1.515 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.595 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3101 Number of blocks in projector: 3101 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: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 236 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 419 Use standard eigh solver. Tree of FC basis block matrices: - (3101, 3058), data: False |-- (419, 412), data: True |-- (419, 412), data: True |-- (419, 412), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 734), data: False |-- (748, 12), data: (748, 26) @ (26, 12) |-- (248, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), 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 2026-01-07 21:41:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:41:06]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.499297429999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.780217319999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.168348149999998 Atomic positions (fractional): 1 O 0.59912926348896 0.25000000000000 0.43021576746345 15.999 2 O 0.40087073651104 0.75000000000000 0.56978423253655 15.999 3 O 0.90087073651104 0.75000000000000 0.93021576746345 15.999 4 O 0.09912926348895 0.25000000000000 0.06978423253655 15.999 5 O 0.27555915002965 0.00390356254436 0.85431741681836 15.999 6 O 0.72444084997035 0.50390356254436 0.14568258318164 15.999 7 O 0.22444084997035 0.99609643745564 0.35431741681836 15.999 8 O 0.77555915002965 0.49609643745564 0.64568258318164 15.999 9 O 0.72444084997035 0.99609643745564 0.14568258318164 15.999 10 O 0.27555915002965 0.49609643745564 0.85431741681836 15.999 11 O 0.77555915002965 0.00390356254436 0.64568258318164 15.999 12 O 0.22444084997035 0.50390356254436 0.35431741681836 15.999 13 O 0.06496262622816 0.49441458887952 0.66885515320807 15.999 14 O 0.93503737377185 0.99441458887951 0.33114484679193 15.999 15 O 0.43503737377184 0.50558541112049 0.16885515320807 15.999 16 O 0.56496262622815 0.00558541112049 0.83114484679193 15.999 17 O 0.43503737377184 0.99441458887951 0.16885515320807 15.999 18 O 0.56496262622815 0.49441458887952 0.83114484679193 15.999 19 O 0.06496262622816 0.00558541112049 0.66885515320807 15.999 20 O 0.93503737377185 0.50558541112049 0.33114484679193 15.999 21 Zn 0.15043487482081 0.25000000000000 0.80905804038615 65.380 22 Zn 0.84956512517919 0.75000000000000 0.19094195961385 65.380 23 Zn 0.34956512517919 0.75000000000000 0.30905804038615 65.380 24 Zn 0.65043487482081 0.25000000000000 0.69094195961385 65.380 25 Ba 0.09919667252260 0.75000000000000 0.07684284561788 137.327 26 Ba 0.59919667252260 0.75000000000000 0.42315715438212 137.327 27 Ba 0.40080332747740 0.25000000000000 0.57684284561788 137.327 28 Ba 0.90080332747740 0.25000000000000 0.92315715438212 137.327 29 Sm 0.07490926440998 0.25000000000000 0.39946637429522 150.360 30 Sm 0.20734942128298 0.75000000000000 0.61894922440185 150.360 31 Sm 0.70734942128298 0.75000000000000 0.88105077559815 150.360 32 Sm 0.29265057871702 0.25000000000000 0.11894922440185 150.360 33 Sm 0.92509073559001 0.75000000000000 0.60053362570478 150.360 34 Sm 0.42509073559001 0.75000000000000 0.89946637429522 150.360 35 Sm 0.57490926440999 0.25000000000000 0.10053362570478 150.360 36 Sm 0.79265057871702 0.25000000000000 0.38105077559815 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.499297429999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.560434639999997 0.000000000000000 c 0.000000000000000 0.000000000000000 14.336696299999996 Atomic positions (fractional): 1 O 0.59912926348896 0.12500000000000 0.21510788373172 15.999 > 1 2 O 0.59912926348896 0.62500000000000 0.21510788373172 15.999 > 1 3 O 0.59912926348896 0.12500000000000 0.71510788373172 15.999 > 1 4 O 0.59912926348896 0.62500000000000 0.71510788373172 15.999 > 1 5 O 0.40087073651104 0.37500000000000 0.28489211626828 15.999 > 5 6 O 0.40087073651104 0.87500000000000 0.28489211626828 15.999 > 5 7 O 0.40087073651104 0.37500000000000 0.78489211626828 15.999 > 5 8 O 0.40087073651104 0.87500000000000 0.78489211626828 15.999 > 5 9 O 0.90087073651104 0.37500000000000 0.46510788373172 15.999 > 9 10 O 0.90087073651104 0.87500000000000 0.46510788373172 15.999 > 9 11 O 0.90087073651104 0.37500000000000 0.96510788373172 15.999 > 9 12 O 0.90087073651104 0.87500000000000 0.96510788373172 15.999 > 9 13 O 0.09912926348895 0.12500000000000 0.03489211626828 15.999 > 13 14 O 0.09912926348895 0.62500000000000 0.03489211626828 15.999 > 13 15 O 0.09912926348895 0.12500000000000 0.53489211626828 15.999 > 13 16 O 0.09912926348895 0.62500000000000 0.53489211626828 15.999 > 13 17 O 0.27555915002965 0.00195178127218 0.42715870840918 15.999 > 17 18 O 0.27555915002965 0.50195178127218 0.42715870840918 15.999 > 17 19 O 0.27555915002965 0.00195178127218 0.92715870840918 15.999 > 17 20 O 0.27555915002965 0.50195178127218 0.92715870840918 15.999 > 17 21 O 0.72444084997035 0.25195178127218 0.07284129159082 15.999 > 21 22 O 0.72444084997035 0.75195178127218 0.07284129159082 15.999 > 21 23 O 0.72444084997035 0.25195178127218 0.57284129159082 15.999 > 21 24 O 0.72444084997035 0.75195178127218 0.57284129159082 15.999 > 21 25 O 0.22444084997035 0.49804821872782 0.17715870840918 15.999 > 25 26 O 0.22444084997035 0.99804821872782 0.17715870840918 15.999 > 25 27 O 0.22444084997035 0.49804821872782 0.67715870840918 15.999 > 25 28 O 0.22444084997035 0.99804821872782 0.67715870840918 15.999 > 25 29 O 0.77555915002965 0.24804821872782 0.32284129159082 15.999 > 29 30 O 0.77555915002965 0.74804821872782 0.32284129159082 15.999 > 29 31 O 0.77555915002965 0.24804821872782 0.82284129159082 15.999 > 29 32 O 0.77555915002965 0.74804821872782 0.82284129159082 15.999 > 29 33 O 0.72444084997035 0.49804821872782 0.07284129159082 15.999 > 33 34 O 0.72444084997035 0.99804821872782 0.07284129159082 15.999 > 33 35 O 0.72444084997035 0.49804821872782 0.57284129159082 15.999 > 33 36 O 0.72444084997035 0.99804821872782 0.57284129159082 15.999 > 33 37 O 0.27555915002965 0.24804821872782 0.42715870840918 15.999 > 37 38 O 0.27555915002965 0.74804821872782 0.42715870840918 15.999 > 37 39 O 0.27555915002965 0.24804821872782 0.92715870840918 15.999 > 37 40 O 0.27555915002965 0.74804821872782 0.92715870840918 15.999 > 37 41 O 0.77555915002965 0.00195178127218 0.32284129159082 15.999 > 41 42 O 0.77555915002965 0.50195178127218 0.32284129159082 15.999 > 41 43 O 0.77555915002965 0.00195178127218 0.82284129159082 15.999 > 41 44 O 0.77555915002965 0.50195178127218 0.82284129159082 15.999 > 41 45 O 0.22444084997035 0.25195178127218 0.17715870840918 15.999 > 45 46 O 0.22444084997035 0.75195178127218 0.17715870840918 15.999 > 45 47 O 0.22444084997035 0.25195178127218 0.67715870840918 15.999 > 45 48 O 0.22444084997035 0.75195178127218 0.67715870840918 15.999 > 45 49 O 0.06496262622816 0.24720729443976 0.33442757660403 15.999 > 49 50 O 0.06496262622816 0.74720729443976 0.33442757660403 15.999 > 49 51 O 0.06496262622816 0.24720729443976 0.83442757660403 15.999 > 49 52 O 0.06496262622816 0.74720729443976 0.83442757660403 15.999 > 49 53 O 0.93503737377185 0.49720729443976 0.16557242339597 15.999 > 53 54 O 0.93503737377185 0.99720729443976 0.16557242339597 15.999 > 53 55 O 0.93503737377185 0.49720729443976 0.66557242339597 15.999 > 53 56 O 0.93503737377185 0.99720729443976 0.66557242339597 15.999 > 53 57 O 0.43503737377184 0.25279270556024 0.08442757660404 15.999 > 57 58 O 0.43503737377184 0.75279270556024 0.08442757660404 15.999 > 57 59 O 0.43503737377184 0.25279270556024 0.58442757660403 15.999 > 57 60 O 0.43503737377184 0.75279270556024 0.58442757660403 15.999 > 57 61 O 0.56496262622815 0.00279270556024 0.41557242339597 15.999 > 61 62 O 0.56496262622815 0.50279270556024 0.41557242339597 15.999 > 61 63 O 0.56496262622815 0.00279270556024 0.91557242339597 15.999 > 61 64 O 0.56496262622815 0.50279270556024 0.91557242339597 15.999 > 61 65 O 0.43503737377184 0.49720729443976 0.08442757660404 15.999 > 65 66 O 0.43503737377184 0.99720729443976 0.08442757660404 15.999 > 65 67 O 0.43503737377184 0.49720729443976 0.58442757660403 15.999 > 65 68 O 0.43503737377184 0.99720729443976 0.58442757660403 15.999 > 65 69 O 0.56496262622815 0.24720729443976 0.41557242339597 15.999 > 69 70 O 0.56496262622815 0.74720729443976 0.41557242339597 15.999 > 69 71 O 0.56496262622815 0.24720729443976 0.91557242339597 15.999 > 69 72 O 0.56496262622815 0.74720729443976 0.91557242339597 15.999 > 69 73 O 0.06496262622816 0.00279270556024 0.33442757660403 15.999 > 73 74 O 0.06496262622816 0.50279270556024 0.33442757660403 15.999 > 73 75 O 0.06496262622816 0.00279270556024 0.83442757660403 15.999 > 73 76 O 0.06496262622816 0.50279270556024 0.83442757660403 15.999 > 73 77 O 0.93503737377185 0.25279270556024 0.16557242339597 15.999 > 77 78 O 0.93503737377185 0.75279270556024 0.16557242339597 15.999 > 77 79 O 0.93503737377185 0.25279270556024 0.66557242339597 15.999 > 77 80 O 0.93503737377185 0.75279270556024 0.66557242339597 15.999 > 77 81 Zn 0.15043487482081 0.12500000000000 0.40452902019308 65.380 > 81 82 Zn 0.15043487482081 0.62500000000000 0.40452902019308 65.380 > 81 83 Zn 0.15043487482081 0.12500000000000 0.90452902019308 65.380 > 81 84 Zn 0.15043487482081 0.62500000000000 0.90452902019308 65.380 > 81 85 Zn 0.84956512517919 0.37500000000000 0.09547097980692 65.380 > 85 86 Zn 0.84956512517919 0.87500000000000 0.09547097980692 65.380 > 85 87 Zn 0.84956512517919 0.37500000000000 0.59547097980692 65.380 > 85 88 Zn 0.84956512517919 0.87500000000000 0.59547097980692 65.380 > 85 89 Zn 0.34956512517919 0.37500000000000 0.15452902019308 65.380 > 89 90 Zn 0.34956512517919 0.87500000000000 0.15452902019308 65.380 > 89 91 Zn 0.34956512517919 0.37500000000000 0.65452902019308 65.380 > 89 92 Zn 0.34956512517919 0.87500000000000 0.65452902019308 65.380 > 89 93 Zn 0.65043487482081 0.12500000000000 0.34547097980692 65.380 > 93 94 Zn 0.65043487482081 0.62500000000000 0.34547097980692 65.380 > 93 95 Zn 0.65043487482081 0.12500000000000 0.84547097980692 65.380 > 93 96 Zn 0.65043487482081 0.62500000000000 0.84547097980692 65.380 > 93 97 Ba 0.09919667252260 0.37500000000000 0.03842142280894 137.327 > 97 98 Ba 0.09919667252260 0.87500000000000 0.03842142280894 137.327 > 97 99 Ba 0.09919667252260 0.37500000000000 0.53842142280894 137.327 > 97 100 Ba 0.09919667252260 0.87500000000000 0.53842142280894 137.327 > 97 101 Ba 0.59919667252260 0.37500000000000 0.21157857719106 137.327 > 101 102 Ba 0.59919667252260 0.87500000000000 0.21157857719106 137.327 > 101 103 Ba 0.59919667252260 0.37500000000000 0.71157857719106 137.327 > 101 104 Ba 0.59919667252260 0.87500000000000 0.71157857719106 137.327 > 101 105 Ba 0.40080332747740 0.12500000000000 0.28842142280894 137.327 > 105 106 Ba 0.40080332747740 0.62500000000000 0.28842142280894 137.327 > 105 107 Ba 0.40080332747740 0.12500000000000 0.78842142280894 137.327 > 105 108 Ba 0.40080332747740 0.62500000000000 0.78842142280894 137.327 > 105 109 Ba 0.90080332747740 0.12500000000000 0.46157857719106 137.327 > 109 110 Ba 0.90080332747740 0.62500000000000 0.46157857719106 137.327 > 109 111 Ba 0.90080332747740 0.12500000000000 0.96157857719106 137.327 > 109 112 Ba 0.90080332747740 0.62500000000000 0.96157857719106 137.327 > 109 113 Sm 0.07490926440998 0.12500000000000 0.19973318714761 150.360 > 113 114 Sm 0.07490926440998 0.62500000000000 0.19973318714761 150.360 > 113 115 Sm 0.07490926440998 0.12500000000000 0.69973318714761 150.360 > 113 116 Sm 0.07490926440998 0.62500000000000 0.69973318714761 150.360 > 113 117 Sm 0.20734942128298 0.37500000000000 0.30947461220093 150.360 > 117 118 Sm 0.20734942128298 0.87500000000000 0.30947461220093 150.360 > 117 119 Sm 0.20734942128298 0.37500000000000 0.80947461220093 150.360 > 117 120 Sm 0.20734942128298 0.87500000000000 0.80947461220093 150.360 > 117 121 Sm 0.70734942128298 0.37500000000000 0.44052538779907 150.360 > 121 122 Sm 0.70734942128298 0.87500000000000 0.44052538779907 150.360 > 121 123 Sm 0.70734942128298 0.37500000000000 0.94052538779907 150.360 > 121 124 Sm 0.70734942128298 0.87500000000000 0.94052538779907 150.360 > 121 125 Sm 0.29265057871702 0.12500000000000 0.05947461220093 150.360 > 125 126 Sm 0.29265057871702 0.62500000000000 0.05947461220093 150.360 > 125 127 Sm 0.29265057871702 0.12500000000000 0.55947461220093 150.360 > 125 128 Sm 0.29265057871702 0.62500000000000 0.55947461220093 150.360 > 125 129 Sm 0.92509073559001 0.37500000000000 0.30026681285239 150.360 > 129 130 Sm 0.92509073559001 0.87500000000000 0.30026681285239 150.360 > 129 131 Sm 0.92509073559001 0.37500000000000 0.80026681285239 150.360 > 129 132 Sm 0.92509073559001 0.87500000000000 0.80026681285239 150.360 > 129 133 Sm 0.42509073559001 0.37500000000000 0.44973318714761 150.360 > 133 134 Sm 0.42509073559001 0.87500000000000 0.44973318714761 150.360 > 133 135 Sm 0.42509073559001 0.37500000000000 0.94973318714761 150.360 > 133 136 Sm 0.42509073559001 0.87500000000000 0.94973318714761 150.360 > 133 137 Sm 0.57490926440999 0.12500000000000 0.05026681285239 150.360 > 137 138 Sm 0.57490926440999 0.62500000000000 0.05026681285239 150.360 > 137 139 Sm 0.57490926440999 0.12500000000000 0.55026681285239 150.360 > 137 140 Sm 0.57490926440999 0.62500000000000 0.55026681285239 150.360 > 137 141 Sm 0.79265057871702 0.12500000000000 0.19052538779907 150.360 > 141 142 Sm 0.79265057871702 0.62500000000000 0.19052538779907 150.360 > 141 143 Sm 0.79265057871702 0.12500000000000 0.69052538779907 150.360 > 141 144 Sm 0.79265057871702 0.62500000000000 0.69052538779907 150.360 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8056698 0.0000000 0.0000000 0.0000000 4.7858012 0.0000000 0.0000000 0.0000000 4.6596917 -------------------------- Born effective charges -------------------------- 1 O -2.6220505 0.0000000 -0.0503825 0.0000000 -2.0386211 0.0000000 -0.0203547 0.0000000 -2.9092689 2 O -2.6220505 0.0000000 -0.0503825 0.0000000 -2.0386211 0.0000000 -0.0203547 0.0000000 -2.9092689 3 O -2.6220505 0.0000000 0.0503825 0.0000000 -2.0386211 0.0000000 0.0203547 0.0000000 -2.9092689 4 O -2.6220505 0.0000000 0.0503825 0.0000000 -2.0386211 0.0000000 0.0203547 0.0000000 -2.9092689 5 O -2.4232238 0.2999562 -0.2159028 0.3000558 -2.7595813 -0.5432476 -0.2441086 -0.5103531 -2.5192497 6 O -2.4232238 -0.2999562 -0.2159028 -0.3000558 -2.7595813 0.5432476 -0.2441086 0.5103531 -2.5192497 7 O -2.4232238 0.2999562 0.2159028 0.3000558 -2.7595813 0.5432476 0.2441086 0.5103531 -2.5192497 8 O -2.4232238 -0.2999562 0.2159028 -0.3000558 -2.7595813 -0.5432476 0.2441086 -0.5103531 -2.5192497 9 O -2.4232238 0.2999562 -0.2159028 0.3000558 -2.7595813 -0.5432476 -0.2441086 -0.5103531 -2.5192497 10 O -2.4232238 -0.2999562 -0.2159028 -0.3000558 -2.7595813 0.5432476 -0.2441086 0.5103531 -2.5192497 11 O -2.4232238 0.2999562 0.2159028 0.3000558 -2.7595813 0.5432476 0.2441086 0.5103531 -2.5192497 12 O -2.4232238 -0.2999562 0.2159028 -0.3000558 -2.7595813 -0.5432476 0.2441086 -0.5103531 -2.5192497 13 O -2.6422162 0.1398800 -0.1744230 0.1819842 -2.6688458 0.0171743 -0.0859366 -0.0080980 -2.1415475 14 O -2.6422162 -0.1398800 -0.1744230 -0.1819842 -2.6688458 -0.0171743 -0.0859366 0.0080980 -2.1415475 15 O -2.6422162 0.1398800 0.1744230 0.1819842 -2.6688458 -0.0171743 0.0859366 0.0080980 -2.1415475 16 O -2.6422162 -0.1398800 0.1744230 -0.1819842 -2.6688458 0.0171743 0.0859366 -0.0080980 -2.1415475 17 O -2.6422162 -0.1398800 0.1744230 -0.1819842 -2.6688458 0.0171743 0.0859366 -0.0080980 -2.1415475 18 O -2.6422162 0.1398800 0.1744230 0.1819842 -2.6688458 -0.0171743 0.0859366 0.0080980 -2.1415475 19 O -2.6422162 -0.1398800 -0.1744230 -0.1819842 -2.6688458 -0.0171743 -0.0859366 0.0080980 -2.1415475 20 O -2.6422162 0.1398800 -0.1744230 0.1819842 -2.6688458 0.0171743 -0.0859366 -0.0080980 -2.1415475 21 Zn 2.0448923 0.0000000 0.3187918 0.0000000 2.3642480 0.0000000 0.2967770 0.0000000 1.8748721 22 Zn 2.0448923 0.0000000 0.3187918 0.0000000 2.3642480 0.0000000 0.2967770 0.0000000 1.8748721 23 Zn 2.0448923 0.0000000 -0.3187918 0.0000000 2.3642480 0.0000000 -0.2967770 0.0000000 1.8748721 24 Zn 2.0448923 0.0000000 -0.3187918 0.0000000 2.3642480 0.0000000 -0.2967770 0.0000000 1.8748721 25 Ba 2.8932210 0.0000000 0.1451077 0.0000000 2.8613237 0.0000000 0.1090024 0.0000000 2.6172785 26 Ba 2.8932210 0.0000000 -0.1451077 0.0000000 2.8613237 0.0000000 -0.1090024 0.0000000 2.6172785 27 Ba 2.8932210 0.0000000 -0.1451077 0.0000000 2.8613237 0.0000000 -0.1090024 0.0000000 2.6172785 28 Ba 2.8932210 0.0000000 0.1451077 0.0000000 2.8613237 0.0000000 0.1090024 0.0000000 2.6172785 29 Sm 4.0895292 0.0000000 -0.0096066 0.0000000 3.8182182 0.0000000 -0.1400286 0.0000000 3.8516193 30 Sm 3.7252881 0.0000000 -0.0237935 0.0000000 3.8516853 0.0000000 -0.0378859 0.0000000 3.8870933 31 Sm 3.7252881 0.0000000 0.0237935 0.0000000 3.8516853 0.0000000 0.0378859 0.0000000 3.8870933 32 Sm 3.7252881 0.0000000 0.0237935 0.0000000 3.8516853 0.0000000 0.0378859 0.0000000 3.8870933 33 Sm 4.0895292 0.0000000 -0.0096066 0.0000000 3.8182182 0.0000000 -0.1400286 0.0000000 3.8516193 34 Sm 4.0895292 0.0000000 0.0096066 0.0000000 3.8182182 0.0000000 0.1400286 0.0000000 3.8516193 35 Sm 4.0895292 0.0000000 0.0096066 0.0000000 3.8182182 0.0000000 0.1400286 0.0000000 3.8516193 36 Sm 3.7252881 0.0000000 -0.0237935 0.0000000 3.8516853 0.0000000 -0.0378859 0.0000000 3.8870933 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 117, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000006 (yzy) -0.00000006 (yzy) -0.00000006 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 2026-01-07 21:41:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:41:50]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.499297429999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.780217319999998 0.000000000000000 c 0.000000000000000 0.000000000000000 7.168348149999998 Atomic positions (fractional): 1 O 0.59912926348896 0.25000000000000 0.43021576746345 15.999 2 O 0.40087073651104 0.75000000000000 0.56978423253655 15.999 3 O 0.90087073651104 0.75000000000000 0.93021576746345 15.999 4 O 0.09912926348895 0.25000000000000 0.06978423253655 15.999 5 O 0.27555915002965 0.00390356254436 0.85431741681836 15.999 6 O 0.72444084997035 0.50390356254436 0.14568258318164 15.999 7 O 0.22444084997035 0.99609643745564 0.35431741681836 15.999 8 O 0.77555915002965 0.49609643745564 0.64568258318164 15.999 9 O 0.72444084997035 0.99609643745564 0.14568258318164 15.999 10 O 0.27555915002965 0.49609643745564 0.85431741681836 15.999 11 O 0.77555915002965 0.00390356254436 0.64568258318164 15.999 12 O 0.22444084997035 0.50390356254436 0.35431741681836 15.999 13 O 0.06496262622816 0.49441458887952 0.66885515320807 15.999 14 O 0.93503737377185 0.99441458887951 0.33114484679193 15.999 15 O 0.43503737377184 0.50558541112049 0.16885515320807 15.999 16 O 0.56496262622815 0.00558541112049 0.83114484679193 15.999 17 O 0.43503737377184 0.99441458887951 0.16885515320807 15.999 18 O 0.56496262622815 0.49441458887952 0.83114484679193 15.999 19 O 0.06496262622816 0.00558541112049 0.66885515320807 15.999 20 O 0.93503737377185 0.50558541112049 0.33114484679193 15.999 21 Zn 0.15043487482081 0.25000000000000 0.80905804038615 65.380 22 Zn 0.84956512517919 0.75000000000000 0.19094195961385 65.380 23 Zn 0.34956512517919 0.75000000000000 0.30905804038615 65.380 24 Zn 0.65043487482081 0.25000000000000 0.69094195961385 65.380 25 Ba 0.09919667252260 0.75000000000000 0.07684284561788 137.327 26 Ba 0.59919667252260 0.75000000000000 0.42315715438212 137.327 27 Ba 0.40080332747740 0.25000000000000 0.57684284561788 137.327 28 Ba 0.90080332747740 0.25000000000000 0.92315715438212 137.327 29 Sm 0.07490926440998 0.25000000000000 0.39946637429522 150.360 30 Sm 0.20734942128298 0.75000000000000 0.61894922440185 150.360 31 Sm 0.70734942128298 0.75000000000000 0.88105077559815 150.360 32 Sm 0.29265057871702 0.25000000000000 0.11894922440185 150.360 33 Sm 0.92509073559001 0.75000000000000 0.60053362570478 150.360 34 Sm 0.42509073559001 0.75000000000000 0.89946637429522 150.360 35 Sm 0.57490926440999 0.25000000000000 0.10053362570478 150.360 36 Sm 0.79265057871702 0.25000000000000 0.38105077559815 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.499297429999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.560434639999997 0.000000000000000 c 0.000000000000000 0.000000000000000 14.336696299999996 Atomic positions (fractional): 1 O 0.59912926348896 0.12500000000000 0.21510788373172 15.999 > 1 2 O 0.59912926348896 0.62500000000000 0.21510788373172 15.999 > 1 3 O 0.59912926348896 0.12500000000000 0.71510788373172 15.999 > 1 4 O 0.59912926348896 0.62500000000000 0.71510788373172 15.999 > 1 5 O 0.40087073651104 0.37500000000000 0.28489211626828 15.999 > 5 6 O 0.40087073651104 0.87500000000000 0.28489211626828 15.999 > 5 7 O 0.40087073651104 0.37500000000000 0.78489211626828 15.999 > 5 8 O 0.40087073651104 0.87500000000000 0.78489211626828 15.999 > 5 9 O 0.90087073651104 0.37500000000000 0.46510788373172 15.999 > 9 10 O 0.90087073651104 0.87500000000000 0.46510788373172 15.999 > 9 11 O 0.90087073651104 0.37500000000000 0.96510788373172 15.999 > 9 12 O 0.90087073651104 0.87500000000000 0.96510788373172 15.999 > 9 13 O 0.09912926348895 0.12500000000000 0.03489211626828 15.999 > 13 14 O 0.09912926348895 0.62500000000000 0.03489211626828 15.999 > 13 15 O 0.09912926348895 0.12500000000000 0.53489211626828 15.999 > 13 16 O 0.09912926348895 0.62500000000000 0.53489211626828 15.999 > 13 17 O 0.27555915002965 0.00195178127218 0.42715870840918 15.999 > 17 18 O 0.27555915002965 0.50195178127218 0.42715870840918 15.999 > 17 19 O 0.27555915002965 0.00195178127218 0.92715870840918 15.999 > 17 20 O 0.27555915002965 0.50195178127218 0.92715870840918 15.999 > 17 21 O 0.72444084997035 0.25195178127218 0.07284129159082 15.999 > 21 22 O 0.72444084997035 0.75195178127218 0.07284129159082 15.999 > 21 23 O 0.72444084997035 0.25195178127218 0.57284129159082 15.999 > 21 24 O 0.72444084997035 0.75195178127218 0.57284129159082 15.999 > 21 25 O 0.22444084997035 0.49804821872782 0.17715870840918 15.999 > 25 26 O 0.22444084997035 0.99804821872782 0.17715870840918 15.999 > 25 27 O 0.22444084997035 0.49804821872782 0.67715870840918 15.999 > 25 28 O 0.22444084997035 0.99804821872782 0.67715870840918 15.999 > 25 29 O 0.77555915002965 0.24804821872782 0.32284129159082 15.999 > 29 30 O 0.77555915002965 0.74804821872782 0.32284129159082 15.999 > 29 31 O 0.77555915002965 0.24804821872782 0.82284129159082 15.999 > 29 32 O 0.77555915002965 0.74804821872782 0.82284129159082 15.999 > 29 33 O 0.72444084997035 0.49804821872782 0.07284129159082 15.999 > 33 34 O 0.72444084997035 0.99804821872782 0.07284129159082 15.999 > 33 35 O 0.72444084997035 0.49804821872782 0.57284129159082 15.999 > 33 36 O 0.72444084997035 0.99804821872782 0.57284129159082 15.999 > 33 37 O 0.27555915002965 0.24804821872782 0.42715870840918 15.999 > 37 38 O 0.27555915002965 0.74804821872782 0.42715870840918 15.999 > 37 39 O 0.27555915002965 0.24804821872782 0.92715870840918 15.999 > 37 40 O 0.27555915002965 0.74804821872782 0.92715870840918 15.999 > 37 41 O 0.77555915002965 0.00195178127218 0.32284129159082 15.999 > 41 42 O 0.77555915002965 0.50195178127218 0.32284129159082 15.999 > 41 43 O 0.77555915002965 0.00195178127218 0.82284129159082 15.999 > 41 44 O 0.77555915002965 0.50195178127218 0.82284129159082 15.999 > 41 45 O 0.22444084997035 0.25195178127218 0.17715870840918 15.999 > 45 46 O 0.22444084997035 0.75195178127218 0.17715870840918 15.999 > 45 47 O 0.22444084997035 0.25195178127218 0.67715870840918 15.999 > 45 48 O 0.22444084997035 0.75195178127218 0.67715870840918 15.999 > 45 49 O 0.06496262622816 0.24720729443976 0.33442757660403 15.999 > 49 50 O 0.06496262622816 0.74720729443976 0.33442757660403 15.999 > 49 51 O 0.06496262622816 0.24720729443976 0.83442757660403 15.999 > 49 52 O 0.06496262622816 0.74720729443976 0.83442757660403 15.999 > 49 53 O 0.93503737377185 0.49720729443976 0.16557242339597 15.999 > 53 54 O 0.93503737377185 0.99720729443976 0.16557242339597 15.999 > 53 55 O 0.93503737377185 0.49720729443976 0.66557242339597 15.999 > 53 56 O 0.93503737377185 0.99720729443976 0.66557242339597 15.999 > 53 57 O 0.43503737377184 0.25279270556024 0.08442757660404 15.999 > 57 58 O 0.43503737377184 0.75279270556024 0.08442757660404 15.999 > 57 59 O 0.43503737377184 0.25279270556024 0.58442757660403 15.999 > 57 60 O 0.43503737377184 0.75279270556024 0.58442757660403 15.999 > 57 61 O 0.56496262622815 0.00279270556024 0.41557242339597 15.999 > 61 62 O 0.56496262622815 0.50279270556024 0.41557242339597 15.999 > 61 63 O 0.56496262622815 0.00279270556024 0.91557242339597 15.999 > 61 64 O 0.56496262622815 0.50279270556024 0.91557242339597 15.999 > 61 65 O 0.43503737377184 0.49720729443976 0.08442757660404 15.999 > 65 66 O 0.43503737377184 0.99720729443976 0.08442757660404 15.999 > 65 67 O 0.43503737377184 0.49720729443976 0.58442757660403 15.999 > 65 68 O 0.43503737377184 0.99720729443976 0.58442757660403 15.999 > 65 69 O 0.56496262622815 0.24720729443976 0.41557242339597 15.999 > 69 70 O 0.56496262622815 0.74720729443976 0.41557242339597 15.999 > 69 71 O 0.56496262622815 0.24720729443976 0.91557242339597 15.999 > 69 72 O 0.56496262622815 0.74720729443976 0.91557242339597 15.999 > 69 73 O 0.06496262622816 0.00279270556024 0.33442757660403 15.999 > 73 74 O 0.06496262622816 0.50279270556024 0.33442757660403 15.999 > 73 75 O 0.06496262622816 0.00279270556024 0.83442757660403 15.999 > 73 76 O 0.06496262622816 0.50279270556024 0.83442757660403 15.999 > 73 77 O 0.93503737377185 0.25279270556024 0.16557242339597 15.999 > 77 78 O 0.93503737377185 0.75279270556024 0.16557242339597 15.999 > 77 79 O 0.93503737377185 0.25279270556024 0.66557242339597 15.999 > 77 80 O 0.93503737377185 0.75279270556024 0.66557242339597 15.999 > 77 81 Zn 0.15043487482081 0.12500000000000 0.40452902019308 65.380 > 81 82 Zn 0.15043487482081 0.62500000000000 0.40452902019308 65.380 > 81 83 Zn 0.15043487482081 0.12500000000000 0.90452902019308 65.380 > 81 84 Zn 0.15043487482081 0.62500000000000 0.90452902019308 65.380 > 81 85 Zn 0.84956512517919 0.37500000000000 0.09547097980692 65.380 > 85 86 Zn 0.84956512517919 0.87500000000000 0.09547097980692 65.380 > 85 87 Zn 0.84956512517919 0.37500000000000 0.59547097980692 65.380 > 85 88 Zn 0.84956512517919 0.87500000000000 0.59547097980692 65.380 > 85 89 Zn 0.34956512517919 0.37500000000000 0.15452902019308 65.380 > 89 90 Zn 0.34956512517919 0.87500000000000 0.15452902019308 65.380 > 89 91 Zn 0.34956512517919 0.37500000000000 0.65452902019308 65.380 > 89 92 Zn 0.34956512517919 0.87500000000000 0.65452902019308 65.380 > 89 93 Zn 0.65043487482081 0.12500000000000 0.34547097980692 65.380 > 93 94 Zn 0.65043487482081 0.62500000000000 0.34547097980692 65.380 > 93 95 Zn 0.65043487482081 0.12500000000000 0.84547097980692 65.380 > 93 96 Zn 0.65043487482081 0.62500000000000 0.84547097980692 65.380 > 93 97 Ba 0.09919667252260 0.37500000000000 0.03842142280894 137.327 > 97 98 Ba 0.09919667252260 0.87500000000000 0.03842142280894 137.327 > 97 99 Ba 0.09919667252260 0.37500000000000 0.53842142280894 137.327 > 97 100 Ba 0.09919667252260 0.87500000000000 0.53842142280894 137.327 > 97 101 Ba 0.59919667252260 0.37500000000000 0.21157857719106 137.327 > 101 102 Ba 0.59919667252260 0.87500000000000 0.21157857719106 137.327 > 101 103 Ba 0.59919667252260 0.37500000000000 0.71157857719106 137.327 > 101 104 Ba 0.59919667252260 0.87500000000000 0.71157857719106 137.327 > 101 105 Ba 0.40080332747740 0.12500000000000 0.28842142280894 137.327 > 105 106 Ba 0.40080332747740 0.62500000000000 0.28842142280894 137.327 > 105 107 Ba 0.40080332747740 0.12500000000000 0.78842142280894 137.327 > 105 108 Ba 0.40080332747740 0.62500000000000 0.78842142280894 137.327 > 105 109 Ba 0.90080332747740 0.12500000000000 0.46157857719106 137.327 > 109 110 Ba 0.90080332747740 0.62500000000000 0.46157857719106 137.327 > 109 111 Ba 0.90080332747740 0.12500000000000 0.96157857719106 137.327 > 109 112 Ba 0.90080332747740 0.62500000000000 0.96157857719106 137.327 > 109 113 Sm 0.07490926440998 0.12500000000000 0.19973318714761 150.360 > 113 114 Sm 0.07490926440998 0.62500000000000 0.19973318714761 150.360 > 113 115 Sm 0.07490926440998 0.12500000000000 0.69973318714761 150.360 > 113 116 Sm 0.07490926440998 0.62500000000000 0.69973318714761 150.360 > 113 117 Sm 0.20734942128298 0.37500000000000 0.30947461220093 150.360 > 117 118 Sm 0.20734942128298 0.87500000000000 0.30947461220093 150.360 > 117 119 Sm 0.20734942128298 0.37500000000000 0.80947461220093 150.360 > 117 120 Sm 0.20734942128298 0.87500000000000 0.80947461220093 150.360 > 117 121 Sm 0.70734942128298 0.37500000000000 0.44052538779907 150.360 > 121 122 Sm 0.70734942128298 0.87500000000000 0.44052538779907 150.360 > 121 123 Sm 0.70734942128298 0.37500000000000 0.94052538779907 150.360 > 121 124 Sm 0.70734942128298 0.87500000000000 0.94052538779907 150.360 > 121 125 Sm 0.29265057871702 0.12500000000000 0.05947461220093 150.360 > 125 126 Sm 0.29265057871702 0.62500000000000 0.05947461220093 150.360 > 125 127 Sm 0.29265057871702 0.12500000000000 0.55947461220093 150.360 > 125 128 Sm 0.29265057871702 0.62500000000000 0.55947461220093 150.360 > 125 129 Sm 0.92509073559001 0.37500000000000 0.30026681285239 150.360 > 129 130 Sm 0.92509073559001 0.87500000000000 0.30026681285239 150.360 > 129 131 Sm 0.92509073559001 0.37500000000000 0.80026681285239 150.360 > 129 132 Sm 0.92509073559001 0.87500000000000 0.80026681285239 150.360 > 129 133 Sm 0.42509073559001 0.37500000000000 0.44973318714761 150.360 > 133 134 Sm 0.42509073559001 0.87500000000000 0.44973318714761 150.360 > 133 135 Sm 0.42509073559001 0.37500000000000 0.94973318714761 150.360 > 133 136 Sm 0.42509073559001 0.87500000000000 0.94973318714761 150.360 > 133 137 Sm 0.57490926440999 0.12500000000000 0.05026681285239 150.360 > 137 138 Sm 0.57490926440999 0.62500000000000 0.05026681285239 150.360 > 137 139 Sm 0.57490926440999 0.12500000000000 0.55026681285239 150.360 > 137 140 Sm 0.57490926440999 0.62500000000000 0.55026681285239 150.360 > 137 141 Sm 0.79265057871702 0.12500000000000 0.19052538779907 150.360 > 141 142 Sm 0.79265057871702 0.62500000000000 0.19052538779907 150.360 > 141 143 Sm 0.79265057871702 0.12500000000000 0.69052538779907 150.360 > 141 144 Sm 0.79265057871702 0.62500000000000 0.69052538779907 150.360 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8056698 0.0000000 0.0000000 0.0000000 4.7858012 0.0000000 0.0000000 0.0000000 4.6596917 -------------------------- Born effective charges -------------------------- 1 O -2.6220505 0.0000000 -0.0503825 0.0000000 -2.0386211 0.0000000 -0.0203547 0.0000000 -2.9092689 2 O -2.6220505 0.0000000 -0.0503825 0.0000000 -2.0386211 0.0000000 -0.0203547 0.0000000 -2.9092689 3 O -2.6220505 0.0000000 0.0503825 0.0000000 -2.0386211 0.0000000 0.0203547 0.0000000 -2.9092689 4 O -2.6220505 0.0000000 0.0503825 0.0000000 -2.0386211 0.0000000 0.0203547 0.0000000 -2.9092689 5 O -2.4232238 0.2999562 -0.2159028 0.3000558 -2.7595813 -0.5432476 -0.2441086 -0.5103531 -2.5192497 6 O -2.4232238 -0.2999562 -0.2159028 -0.3000558 -2.7595813 0.5432476 -0.2441086 0.5103531 -2.5192497 7 O -2.4232238 0.2999562 0.2159028 0.3000558 -2.7595813 0.5432476 0.2441086 0.5103531 -2.5192497 8 O -2.4232238 -0.2999562 0.2159028 -0.3000558 -2.7595813 -0.5432476 0.2441086 -0.5103531 -2.5192497 9 O -2.4232238 0.2999562 -0.2159028 0.3000558 -2.7595813 -0.5432476 -0.2441086 -0.5103531 -2.5192497 10 O -2.4232238 -0.2999562 -0.2159028 -0.3000558 -2.7595813 0.5432476 -0.2441086 0.5103531 -2.5192497 11 O -2.4232238 0.2999562 0.2159028 0.3000558 -2.7595813 0.5432476 0.2441086 0.5103531 -2.5192497 12 O -2.4232238 -0.2999562 0.2159028 -0.3000558 -2.7595813 -0.5432476 0.2441086 -0.5103531 -2.5192497 13 O -2.6422162 0.1398800 -0.1744230 0.1819842 -2.6688458 0.0171743 -0.0859366 -0.0080980 -2.1415475 14 O -2.6422162 -0.1398800 -0.1744230 -0.1819842 -2.6688458 -0.0171743 -0.0859366 0.0080980 -2.1415475 15 O -2.6422162 0.1398800 0.1744230 0.1819842 -2.6688458 -0.0171743 0.0859366 0.0080980 -2.1415475 16 O -2.6422162 -0.1398800 0.1744230 -0.1819842 -2.6688458 0.0171743 0.0859366 -0.0080980 -2.1415475 17 O -2.6422162 -0.1398800 0.1744230 -0.1819842 -2.6688458 0.0171743 0.0859366 -0.0080980 -2.1415475 18 O -2.6422162 0.1398800 0.1744230 0.1819842 -2.6688458 -0.0171743 0.0859366 0.0080980 -2.1415475 19 O -2.6422162 -0.1398800 -0.1744230 -0.1819842 -2.6688458 -0.0171743 -0.0859366 0.0080980 -2.1415475 20 O -2.6422162 0.1398800 -0.1744230 0.1819842 -2.6688458 0.0171743 -0.0859366 -0.0080980 -2.1415475 21 Zn 2.0448923 0.0000000 0.3187918 0.0000000 2.3642480 0.0000000 0.2967770 0.0000000 1.8748721 22 Zn 2.0448923 0.0000000 0.3187918 0.0000000 2.3642480 0.0000000 0.2967770 0.0000000 1.8748721 23 Zn 2.0448923 0.0000000 -0.3187918 0.0000000 2.3642480 0.0000000 -0.2967770 0.0000000 1.8748721 24 Zn 2.0448923 0.0000000 -0.3187918 0.0000000 2.3642480 0.0000000 -0.2967770 0.0000000 1.8748721 25 Ba 2.8932210 0.0000000 0.1451077 0.0000000 2.8613237 0.0000000 0.1090024 0.0000000 2.6172785 26 Ba 2.8932210 0.0000000 -0.1451077 0.0000000 2.8613237 0.0000000 -0.1090024 0.0000000 2.6172785 27 Ba 2.8932210 0.0000000 -0.1451077 0.0000000 2.8613237 0.0000000 -0.1090024 0.0000000 2.6172785 28 Ba 2.8932210 0.0000000 0.1451077 0.0000000 2.8613237 0.0000000 0.1090024 0.0000000 2.6172785 29 Sm 4.0895292 0.0000000 -0.0096066 0.0000000 3.8182182 0.0000000 -0.1400286 0.0000000 3.8516193 30 Sm 3.7252881 0.0000000 -0.0237935 0.0000000 3.8516853 0.0000000 -0.0378859 0.0000000 3.8870933 31 Sm 3.7252881 0.0000000 0.0237935 0.0000000 3.8516853 0.0000000 0.0378859 0.0000000 3.8870933 32 Sm 3.7252881 0.0000000 0.0237935 0.0000000 3.8516853 0.0000000 0.0378859 0.0000000 3.8870933 33 Sm 4.0895292 0.0000000 -0.0096066 0.0000000 3.8182182 0.0000000 -0.1400286 0.0000000 3.8516193 34 Sm 4.0895292 0.0000000 0.0096066 0.0000000 3.8182182 0.0000000 0.1400286 0.0000000 3.8516193 35 Sm 4.0895292 0.0000000 0.0096066 0.0000000 3.8182182 0.0000000 0.1400286 0.0000000 3.8516193 36 Sm 3.7252881 0.0000000 -0.0237935 0.0000000 3.8516853 0.0000000 -0.0378859 0.0000000 3.8870933 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (yzy) -0.00000006 (yzy) -0.00000006 (yyz) 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 ... [ 4 9 7 ] 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: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 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 1.525 ( 0.000 0.000 0.000) 0.000 1.601 ( 0.000 0.000 0.000) 0.000 1.641 ( 0.000 0.000 0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.032 ( 0.000 0.000 0.000) 0.000 2.309 ( 0.000 0.000 0.000) 0.000 2.392 ( 0.000 0.000 0.000) 0.000 2.479 ( 0.000 0.000 0.000) 0.000 2.530 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 2.975 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.641 ( 0.000 0.000 0.000) 0.000 4.043 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.130 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.257 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.530 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 4.994 ( 0.000 0.000 0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.425 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.519 ( 0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 6.898 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.205 ( 0.000 0.000 0.000) 0.000 7.307 ( 0.000 0.000 0.000) 0.000 7.323 ( 0.000 0.000 0.000) 0.000 7.409 ( 0.000 0.000 0.000) 0.000 7.480 ( 0.000 0.000 0.000) 0.000 7.587 ( 0.000 0.000 0.000) 0.000 7.803 ( 0.000 0.000 0.000) 0.000 7.875 ( 0.000 0.000 0.000) 0.000 7.996 ( 0.000 0.000 0.000) 0.000 8.302 ( 0.000 0.000 0.000) 0.000 8.415 ( 0.000 0.000 0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 8.639 ( 0.000 0.000 0.000) 0.000 8.800 ( 0.000 0.000 0.000) 0.000 8.808 ( 0.000 0.000 0.000) 0.000 9.140 ( 0.000 0.000 0.000) 0.000 9.241 ( 0.000 0.000 0.000) 0.000 9.449 ( 0.000 0.000 0.000) 0.000 9.485 ( 0.000 0.000 0.000) 0.000 9.639 ( 0.000 0.000 0.000) 0.000 9.899 ( 0.000 0.000 0.000) 0.000 9.950 ( 0.000 0.000 0.000) 0.000 9.984 ( 0.000 0.000 0.000) 0.000 10.039 ( 0.000 0.000 0.000) 0.000 10.176 ( 0.000 0.000 0.000) 0.000 10.177 ( 0.000 0.000 0.000) 0.000 10.885 ( 0.000 0.000 0.000) 0.000 11.000 ( 0.000 0.000 0.000) 0.000 11.018 ( 0.000 0.000 0.000) 0.000 11.385 ( 0.000 0.000 0.000) 0.000 11.552 ( 0.000 0.000 0.000) 0.000 11.702 ( 0.000 0.000 0.000) 0.000 11.759 ( 0.000 0.000 0.000) 0.000 11.981 ( 0.000 0.000 0.000) 0.000 12.298 ( 0.000 0.000 0.000) 0.000 12.686 ( 0.000 0.000 0.000) 0.000 12.887 ( 0.000 0.000 0.000) 0.000 13.037 ( 0.000 0.000 0.000) 0.000 13.139 ( 0.000 0.000 0.000) 0.000 13.267 ( 0.000 0.000 0.000) 0.000 13.331 ( 0.000 0.000 0.000) 0.000 13.610 ( 0.000 0.000 0.000) 0.000 13.635 ( 0.000 0.000 0.000) 0.000 14.350 ( 0.000 0.000 0.000) 0.000 14.575 ( 0.000 0.000 0.000) 0.000 14.930 ( 0.000 0.000 0.000) 0.000 15.362 ( 0.000 0.000 0.000) 0.000 15.791 ( 0.000 0.000 0.000) 0.000 16.360 ( 0.000 0.000 0.000) 0.000 16.624 ( 0.000 0.000 0.000) 0.000 16.674 ( 0.000 0.000 0.000) 0.000 16.891 ( 0.000 0.000 0.000) 0.000 16.974 ( 0.000 0.000 0.000) 0.000 17.293 ( 0.000 0.000 0.000) 0.000 17.308 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( 20.388 0.000 0.000) 20.388 0.619 ( 29.680 0.000 0.000) 29.680 1.081 ( 51.314 0.000 0.000) 51.314 1.186 ( -18.583 0.000 0.000) 18.583 1.538 ( -9.874 0.000 0.000) 9.874 1.919 ( 15.684 0.000 0.000) 15.684 2.029 ( -0.392 0.000 0.000) 0.392 2.037 ( -0.149 0.000 0.000) 0.149 2.302 ( -6.067 0.000 0.000) 6.067 2.345 ( 4.103 0.000 0.000) 4.103 2.515 ( -4.562 0.000 0.000) 4.562 2.557 ( 3.451 0.000 0.000) 3.451 2.591 ( -1.553 0.000 0.000) 1.553 2.738 ( -0.944 0.000 0.000) 0.944 2.770 ( 4.733 0.000 0.000) 4.733 2.806 ( -4.195 0.000 0.000) 4.195 2.831 ( -3.416 0.000 0.000) 3.416 2.896 ( -3.054 0.000 0.000) 3.054 2.924 ( -6.160 0.000 0.000) 6.160 2.969 ( -3.273 0.000 0.000) 3.273 2.998 ( -2.540 0.000 0.000) 2.540 3.225 ( 4.948 0.000 0.000) 4.948 3.302 ( -36.727 0.000 0.000) 36.727 3.388 ( 7.399 0.000 0.000) 7.399 3.405 ( -3.550 0.000 0.000) 3.550 3.609 ( 9.668 0.000 0.000) 9.668 3.668 ( -5.027 0.000 0.000) 5.027 4.000 ( -7.149 0.000 0.000) 7.149 4.171 ( -1.587 0.000 0.000) 1.587 4.171 ( -0.496 0.000 0.000) 0.496 4.196 ( 3.271 0.000 0.000) 3.271 4.261 ( 0.155 0.000 0.000) 0.155 4.512 ( -2.440 0.000 0.000) 2.440 4.594 ( 3.552 0.000 0.000) 3.552 4.629 ( -4.019 0.000 0.000) 4.019 4.701 ( 1.412 0.000 0.000) 1.412 4.826 ( 13.659 0.000 0.000) 13.659 4.950 ( 21.297 0.000 0.000) 21.297 5.068 ( 7.382 0.000 0.000) 7.382 5.101 ( -5.168 0.000 0.000) 5.168 5.246 ( -0.920 0.000 0.000) 0.920 5.291 ( -1.005 0.000 0.000) 1.005 5.327 ( -7.851 0.000 0.000) 7.851 5.457 ( 2.869 0.000 0.000) 2.869 5.527 ( 0.413 0.000 0.000) 0.413 5.560 ( -3.540 0.000 0.000) 3.540 5.780 ( 0.330 0.000 0.000) 0.330 5.851 ( -3.555 0.000 0.000) 3.555 5.852 ( 11.678 0.000 0.000) 11.678 6.113 ( -1.423 0.000 0.000) 1.423 6.812 ( 9.685 0.000 0.000) 9.685 6.897 ( 0.240 0.000 0.000) 0.240 7.033 ( -6.575 0.000 0.000) 6.575 7.208 ( -8.924 0.000 0.000) 8.924 7.270 ( 2.957 0.000 0.000) 2.957 7.322 ( -0.191 0.000 0.000) 0.191 7.397 ( 1.045 0.000 0.000) 1.045 7.507 ( 2.299 0.000 0.000) 2.299 7.579 ( -0.790 0.000 0.000) 0.790 7.846 ( -13.285 0.000 0.000) 13.285 7.860 ( 5.441 0.000 0.000) 5.441 8.223 ( -11.502 0.000 0.000) 11.502 8.356 ( 5.253 0.000 0.000) 5.253 8.581 ( -0.705 0.000 0.000) 0.705 8.725 ( 6.799 0.000 0.000) 6.799 8.750 ( 10.266 0.000 0.000) 10.266 8.836 ( 2.394 0.000 0.000) 2.394 8.843 ( 4.291 0.000 0.000) 4.291 9.032 ( -8.290 0.000 0.000) 8.290 9.163 ( -7.167 0.000 0.000) 7.167 9.410 ( 0.169 0.000 0.000) 0.169 9.626 ( -8.043 0.000 0.000) 8.043 9.750 ( -14.470 0.000 0.000) 14.470 9.773 ( -9.586 0.000 0.000) 9.586 9.902 ( 16.872 0.000 0.000) 16.872 10.294 ( 2.737 0.000 0.000) 2.737 10.314 ( 11.072 0.000 0.000) 11.072 10.355 ( 21.638 0.000 0.000) 21.638 10.837 ( -11.380 0.000 0.000) 11.380 10.902 ( 1.577 0.000 0.000) 1.577 10.996 ( -2.039 0.000 0.000) 2.039 11.204 ( -16.216 0.000 0.000) 16.216 11.550 ( -0.156 0.000 0.000) 0.156 11.626 ( -5.322 0.000 0.000) 5.322 11.826 ( 5.488 0.000 0.000) 5.488 11.988 ( -0.533 0.000 0.000) 0.533 12.384 ( 6.987 0.000 0.000) 6.987 12.643 ( -4.144 0.000 0.000) 4.144 12.922 ( 3.470 0.000 0.000) 3.470 13.049 ( 0.906 0.000 0.000) 0.906 13.128 ( -1.068 0.000 0.000) 1.068 13.190 ( -8.136 0.000 0.000) 8.136 13.334 ( 6.110 0.000 0.000) 6.110 13.592 ( -4.215 0.000 0.000) 4.215 13.701 ( 13.648 0.000 0.000) 13.648 14.229 ( -10.266 0.000 0.000) 10.266 14.642 ( 5.180 0.000 0.000) 5.180 14.872 ( -5.070 0.000 0.000) 5.070 15.375 ( 1.240 0.000 0.000) 1.240 15.425 ( -0.431 0.000 0.000) 0.431 16.014 ( 7.980 0.000 0.000) 7.980 16.487 ( -13.049 0.000 0.000) 13.049 16.513 ( 0.740 0.000 0.000) 0.740 16.587 ( -2.818 0.000 0.000) 2.818 17.011 ( 7.500 0.000 0.000) 7.500 17.079 ( 8.430 0.000 0.000) 8.430 17.267 ( -3.933 0.000 0.000) 3.933 17.331 ( -3.130 0.000 0.000) 3.130 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -19.075 0.000 0.000) 19.075 0.811 ( 19.075 0.000 0.000) 19.075 1.157 ( -23.103 0.000 0.000) 23.103 1.157 ( 23.103 0.000 0.000) 23.103 1.984 ( -12.283 0.000 0.000) 12.283 1.984 ( 12.283 0.000 0.000) 12.283 2.152 ( -29.772 0.000 0.000) 29.772 2.152 ( 29.772 0.000 0.000) 29.772 2.162 ( -8.653 0.000 0.000) 8.653 2.162 ( 8.653 0.000 0.000) 8.653 2.487 ( -8.898 0.000 0.000) 8.898 2.487 ( 8.898 0.000 0.000) 8.898 2.636 ( -7.782 0.000 0.000) 7.782 2.636 ( 7.782 0.000 0.000) 7.782 2.761 ( -0.973 0.000 0.000) 0.973 2.761 ( 0.973 0.000 0.000) 0.973 2.808 ( -4.679 0.000 0.000) 4.679 2.808 ( 4.679 0.000 0.000) 4.679 2.900 ( -6.975 0.000 0.000) 6.975 2.900 ( 6.975 0.000 0.000) 6.975 2.957 ( -1.152 0.000 0.000) 1.152 2.957 ( 1.152 0.000 0.000) 1.152 3.320 ( -4.644 0.000 0.000) 4.644 3.320 ( 4.644 0.000 0.000) 4.644 3.545 ( -7.693 0.000 0.000) 7.693 3.545 ( 7.693 0.000 0.000) 7.693 3.827 ( -10.544 0.000 0.000) 10.544 3.827 ( 10.544 0.000 0.000) 10.544 4.147 ( -0.034 0.000 0.000) 0.034 4.147 ( 0.034 0.000 0.000) 0.034 4.249 ( -1.622 0.000 0.000) 1.622 4.249 ( 1.622 0.000 0.000) 1.622 4.539 ( -4.130 0.000 0.000) 4.130 4.539 ( 4.130 0.000 0.000) 4.130 4.678 ( -3.720 0.000 0.000) 3.720 4.678 ( 3.720 0.000 0.000) 3.720 4.988 ( -6.153 0.000 0.000) 6.153 4.988 ( 6.153 0.000 0.000) 6.153 5.208 ( -6.986 0.000 0.000) 6.986 5.208 ( 6.986 0.000 0.000) 6.986 5.239 ( -1.101 0.000 0.000) 1.101 5.239 ( 1.101 0.000 0.000) 1.101 5.383 ( -15.536 0.000 0.000) 15.536 5.383 ( 15.536 0.000 0.000) 15.536 5.514 ( -2.077 0.000 0.000) 2.077 5.514 ( 2.077 0.000 0.000) 2.077 5.793 ( -1.404 0.000 0.000) 1.404 5.793 ( 1.404 0.000 0.000) 1.404 6.041 ( -6.490 0.000 0.000) 6.490 6.041 ( 6.490 0.000 0.000) 6.490 6.929 ( -3.356 0.000 0.000) 3.356 6.929 ( 3.356 0.000 0.000) 3.356 7.012 ( -9.696 0.000 0.000) 9.696 7.012 ( 9.696 0.000 0.000) 9.696 7.310 ( -1.164 0.000 0.000) 1.164 7.310 ( 1.164 0.000 0.000) 1.164 7.547 ( -13.843 0.000 0.000) 13.843 7.547 ( 13.843 0.000 0.000) 13.843 7.553 ( -1.891 0.000 0.000) 1.891 7.553 ( 1.891 0.000 0.000) 1.891 8.011 ( -9.394 0.000 0.000) 9.394 8.011 ( 9.394 0.000 0.000) 9.394 8.492 ( -7.268 0.000 0.000) 7.268 8.492 ( 7.268 0.000 0.000) 7.268 8.857 ( -5.724 0.000 0.000) 5.724 8.857 ( 5.724 0.000 0.000) 5.724 8.867 ( -0.894 0.000 0.000) 0.894 8.867 ( 0.894 0.000 0.000) 0.894 9.001 ( -7.422 0.000 0.000) 7.422 9.001 ( 7.422 0.000 0.000) 7.422 9.507 ( -9.026 0.000 0.000) 9.026 9.507 ( 9.026 0.000 0.000) 9.026 9.600 ( -5.487 0.000 0.000) 5.487 9.600 ( 5.487 0.000 0.000) 5.487 10.202 ( -11.350 0.000 0.000) 11.350 10.202 ( 11.350 0.000 0.000) 11.350 10.569 ( -13.678 0.000 0.000) 13.678 10.569 ( 13.678 0.000 0.000) 13.678 10.807 ( -22.021 0.000 0.000) 22.021 10.807 ( 22.021 0.000 0.000) 22.021 10.946 ( -2.648 0.000 0.000) 2.648 10.946 ( 2.648 0.000 0.000) 2.648 11.557 ( -1.386 0.000 0.000) 1.386 11.557 ( 1.386 0.000 0.000) 1.386 11.935 ( -4.618 0.000 0.000) 4.618 11.935 ( 4.618 0.000 0.000) 4.618 12.529 ( -6.938 0.000 0.000) 6.938 12.529 ( 6.938 0.000 0.000) 6.938 13.017 ( -5.271 0.000 0.000) 5.271 13.017 ( 5.271 0.000 0.000) 5.271 13.104 ( -0.600 0.000 0.000) 0.600 13.104 ( 0.600 0.000 0.000) 0.600 13.475 ( -7.083 0.000 0.000) 7.083 13.475 ( 7.083 0.000 0.000) 7.083 13.982 ( -13.808 0.000 0.000) 13.808 13.982 ( 13.808 0.000 0.000) 13.808 14.756 ( -6.038 0.000 0.000) 6.038 14.756 ( 6.038 0.000 0.000) 6.038 15.405 ( -1.451 0.000 0.000) 1.451 15.405 ( 1.451 0.000 0.000) 1.451 16.225 ( -12.473 0.000 0.000) 12.473 16.225 ( 12.473 0.000 0.000) 12.473 16.539 ( -1.850 0.000 0.000) 1.850 16.539 ( 1.850 0.000 0.000) 1.850 17.158 ( -6.774 0.000 0.000) 6.774 17.158 ( 6.774 0.000 0.000) 6.774 17.235 ( -6.506 0.000 0.000) 6.506 17.235 ( 6.506 0.000 0.000) 6.506 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 0.000 21.443 0.000) 21.443 0.502 ( 0.000 26.040 0.000) 26.040 1.156 ( 0.000 58.015 0.000) 58.015 1.658 ( 0.000 1.693 0.000) 1.693 1.766 ( 0.000 16.816 0.000) 16.816 1.878 ( 0.000 19.053 0.000) 19.053 1.977 ( 0.000 -1.434 0.000) 1.434 2.036 ( 0.000 1.867 0.000) 1.867 2.377 ( 0.000 8.005 0.000) 8.005 2.422 ( 0.000 -5.566 0.000) 5.566 2.482 ( 0.000 -3.586 0.000) 3.586 2.586 ( 0.000 2.610 0.000) 2.610 2.613 ( 0.000 -5.213 0.000) 5.213 2.687 ( 0.000 1.408 0.000) 1.408 2.855 ( 0.000 -0.047 0.000) 0.047 2.881 ( 0.000 -4.938 0.000) 4.938 2.948 ( 0.000 14.362 0.000) 14.362 2.972 ( 0.000 10.356 0.000) 10.356 3.145 ( 0.000 8.057 0.000) 8.057 3.171 ( 0.000 1.868 0.000) 1.868 3.238 ( 0.000 7.179 0.000) 7.179 3.325 ( 0.000 23.463 0.000) 23.463 3.429 ( 0.000 18.470 0.000) 18.470 3.523 ( 0.000 5.650 0.000) 5.650 3.595 ( 0.000 17.612 0.000) 17.612 3.650 ( 0.000 1.063 0.000) 1.063 3.837 ( 0.000 -17.385 0.000) 17.385 4.011 ( 0.000 -3.179 0.000) 3.179 4.090 ( 0.000 1.200 0.000) 1.200 4.104 ( 0.000 -4.527 0.000) 4.527 4.174 ( 0.000 -2.100 0.000) 2.100 4.329 ( 0.000 -10.515 0.000) 10.515 4.405 ( 0.000 3.995 0.000) 3.995 4.494 ( 0.000 12.257 0.000) 12.257 4.569 ( 0.000 -2.998 0.000) 2.998 4.700 ( 0.000 -0.584 0.000) 0.584 4.711 ( 0.000 5.789 0.000) 5.789 4.714 ( 0.000 0.747 0.000) 0.747 5.064 ( 0.000 6.405 0.000) 6.405 5.200 ( 0.000 -2.212 0.000) 2.212 5.208 ( 0.000 4.112 0.000) 4.112 5.367 ( 0.000 5.273 0.000) 5.273 5.434 ( 0.000 -2.283 0.000) 2.283 5.467 ( 0.000 -0.921 0.000) 0.921 5.622 ( 0.000 3.254 0.000) 3.254 5.632 ( 0.000 -4.874 0.000) 4.874 5.807 ( 0.000 35.957 0.000) 35.957 5.837 ( 0.000 6.731 0.000) 6.731 5.846 ( 0.000 11.770 0.000) 11.770 6.765 ( 0.000 7.182 0.000) 7.182 6.930 ( 0.000 2.590 0.000) 2.590 7.054 ( 0.000 12.269 0.000) 12.269 7.117 ( 0.000 -2.380 0.000) 2.380 7.194 ( 0.000 -0.326 0.000) 0.326 7.250 ( 0.000 -5.575 0.000) 5.575 7.289 ( 0.000 -3.418 0.000) 3.418 7.325 ( 0.000 -5.530 0.000) 5.530 7.485 ( 0.000 2.101 0.000) 2.101 7.568 ( 0.000 -1.821 0.000) 1.821 7.911 ( 0.000 3.770 0.000) 3.770 7.939 ( 0.000 10.981 0.000) 10.981 8.244 ( 0.000 3.615 0.000) 3.615 8.416 ( 0.000 0.175 0.000) 0.175 8.638 ( 0.000 3.483 0.000) 3.483 8.761 ( 0.000 10.817 0.000) 10.817 8.775 ( 0.000 0.860 0.000) 0.860 8.984 ( 0.000 17.935 0.000) 17.935 9.105 ( 0.000 -2.565 0.000) 2.565 9.210 ( 0.000 3.174 0.000) 3.174 9.210 ( 0.000 -4.373 0.000) 4.373 9.473 ( 0.000 4.755 0.000) 4.755 9.625 ( 0.000 17.749 0.000) 17.749 9.692 ( 0.000 5.441 0.000) 5.441 9.778 ( 0.000 -9.126 0.000) 9.126 9.901 ( 0.000 0.550 0.000) 0.550 10.088 ( 0.000 3.697 0.000) 3.697 10.150 ( 0.000 8.465 0.000) 8.465 10.293 ( 0.000 11.049 0.000) 11.049 10.716 ( 0.000 -0.467 0.000) 0.467 11.059 ( 0.000 6.234 0.000) 6.234 11.147 ( 0.000 11.639 0.000) 11.639 11.423 ( 0.000 4.711 0.000) 4.711 11.558 ( 0.000 0.632 0.000) 0.632 11.722 ( 0.000 2.080 0.000) 2.080 11.825 ( 0.000 6.158 0.000) 6.158 11.978 ( 0.000 -0.175 0.000) 0.175 12.096 ( 0.000 7.576 0.000) 7.576 12.630 ( 0.000 -5.753 0.000) 5.753 12.847 ( 0.000 -3.931 0.000) 3.931 13.024 ( 0.000 -1.726 0.000) 1.726 13.089 ( 0.000 -5.142 0.000) 5.142 13.178 ( 0.000 -7.662 0.000) 7.662 13.338 ( 0.000 1.634 0.000) 1.634 13.648 ( 0.000 1.358 0.000) 1.358 13.707 ( 0.000 8.331 0.000) 8.331 14.328 ( 0.000 -1.562 0.000) 1.562 14.553 ( 0.000 -2.493 0.000) 2.493 14.892 ( 0.000 -3.759 0.000) 3.759 15.344 ( 0.000 -1.828 0.000) 1.828 15.816 ( 0.000 2.684 0.000) 2.684 16.210 ( 0.000 4.121 0.000) 4.121 16.279 ( 0.000 -8.421 0.000) 8.421 16.586 ( 0.000 -4.132 0.000) 4.132 16.670 ( 0.000 -0.446 0.000) 0.446 16.831 ( 0.000 -5.768 0.000) 5.768 16.880 ( 0.000 -9.399 0.000) 9.399 17.264 ( 0.000 -4.609 0.000) 4.609 17.268 ( 0.000 -2.633 0.000) 2.633 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 22.137 15.417 0.000) 26.976 0.909 ( 24.779 17.490 0.000) 30.330 1.386 ( 25.193 38.822 0.000) 46.280 1.538 ( -13.783 25.674 0.000) 29.140 1.571 ( -7.383 4.277 0.000) 8.532 1.992 ( 1.359 -0.210 0.000) 1.375 2.000 ( 1.288 -2.383 0.000) 2.709 2.122 ( 9.160 10.057 0.000) 13.603 2.426 ( -3.475 -3.365 0.000) 4.837 2.429 ( 3.054 5.411 0.000) 6.213 2.441 ( -2.503 1.547 0.000) 2.943 2.536 ( -0.453 3.529 0.000) 3.557 2.610 ( 0.472 -2.899 0.000) 2.937 2.683 ( -0.158 1.291 0.000) 1.300 2.779 ( -3.718 1.976 0.000) 4.211 2.829 ( -7.606 5.545 0.000) 9.413 2.833 ( -4.459 -4.494 0.000) 6.331 3.055 ( 5.950 17.371 0.000) 18.362 3.132 ( -2.043 7.540 0.000) 7.812 3.184 ( -0.190 20.032 0.000) 20.033 3.243 ( 2.998 -0.477 0.000) 3.036 3.253 ( -27.903 1.421 0.000) 27.939 3.297 ( -5.092 23.217 0.000) 23.769 3.513 ( 6.192 14.982 0.000) 16.211 3.594 ( 7.081 0.153 0.000) 7.083 3.629 ( -11.964 20.530 0.000) 23.761 3.672 ( -4.321 0.620 0.000) 4.365 3.864 ( -1.063 -10.313 0.000) 10.368 4.107 ( -0.034 -2.316 0.000) 2.316 4.123 ( 0.216 -4.045 0.000) 4.051 4.189 ( 2.640 -0.771 0.000) 2.751 4.371 ( -5.994 4.091 0.000) 7.257 4.379 ( 3.910 -11.062 0.000) 11.732 4.513 ( -2.078 0.040 0.000) 2.079 4.638 ( 1.831 -2.814 0.000) 3.358 4.752 ( -0.022 3.996 0.000) 3.996 4.827 ( 15.166 -0.358 0.000) 15.171 4.980 ( 18.828 3.027 0.000) 19.070 5.114 ( 4.002 4.910 0.000) 6.335 5.122 ( -4.614 1.883 0.000) 4.984 5.208 ( -1.997 -1.446 0.000) 2.466 5.316 ( -6.162 -2.366 0.000) 6.601 5.356 ( -1.431 4.646 0.000) 4.862 5.500 ( 1.089 -2.192 0.000) 2.447 5.575 ( -3.093 3.849 0.000) 4.938 5.642 ( -0.833 11.907 0.000) 11.936 5.783 ( 1.402 1.251 0.000) 1.880 5.849 ( -0.535 8.733 0.000) 8.749 6.074 ( 16.413 26.769 0.000) 31.401 6.720 ( -17.485 35.149 0.000) 39.257 6.854 ( 6.917 4.670 0.000) 8.346 6.925 ( 0.149 2.033 0.000) 2.038 7.022 ( -6.128 -1.147 0.000) 6.235 7.175 ( -7.655 -3.463 0.000) 8.402 7.247 ( 1.822 -2.492 0.000) 3.087 7.287 ( -0.318 -3.538 0.000) 3.552 7.349 ( 3.785 -2.760 0.000) 4.685 7.468 ( 0.868 -2.112 0.000) 2.283 7.565 ( -0.079 -1.380 0.000) 1.382 7.885 ( -10.340 3.606 0.000) 10.951 7.957 ( 2.498 8.618 0.000) 8.973 8.208 ( -6.760 1.941 0.000) 7.033 8.415 ( 5.237 2.953 0.000) 6.012 8.606 ( 2.649 1.763 0.000) 3.182 8.670 ( 1.047 5.063 0.000) 5.170 8.778 ( -0.590 -0.187 0.000) 0.619 9.000 ( 1.466 14.624 0.000) 14.698 9.083 ( 2.218 10.187 0.000) 10.426 9.182 ( -2.474 9.296 0.000) 9.620 9.215 ( -2.311 9.515 0.000) 9.792 9.435 ( -3.519 7.146 0.000) 7.966 9.626 ( -4.125 -0.243 0.000) 4.132 9.821 ( -4.682 4.058 0.000) 6.196 9.834 ( -13.719 6.981 0.000) 15.393 10.007 ( 14.060 11.186 0.000) 17.967 10.108 ( 20.341 -10.614 0.000) 22.943 10.380 ( 8.610 6.707 0.000) 10.914 10.437 ( 16.433 3.651 0.000) 16.834 10.719 ( -1.750 -6.197 0.000) 6.439 11.014 ( -2.329 8.073 0.000) 8.402 11.098 ( -6.043 7.110 0.000) 9.331 11.229 ( -14.708 4.961 0.000) 15.522 11.575 ( 0.585 2.627 0.000) 2.691 11.653 ( -4.712 3.100 0.000) 5.640 11.878 ( 4.029 4.817 0.000) 6.280 11.993 ( 0.120 0.597 0.000) 0.608 12.228 ( 9.982 -4.240 0.000) 10.845 12.572 ( -5.558 -6.918 0.000) 8.874 12.892 ( 4.342 -3.141 0.000) 5.359 13.035 ( 1.056 -2.642 0.000) 2.845 13.085 ( -0.516 -4.534 0.000) 4.563 13.149 ( -4.760 -5.983 0.000) 7.646 13.347 ( 2.797 3.084 0.000) 4.163 13.595 ( -5.111 0.555 0.000) 5.141 13.767 ( 8.125 6.281 0.000) 10.269 14.209 ( -9.804 -1.409 0.000) 9.905 14.621 ( 5.127 -2.235 0.000) 5.593 14.840 ( -4.682 -3.290 0.000) 5.722 15.384 ( 3.820 0.748 0.000) 3.893 15.671 ( -11.937 13.888 0.000) 18.313 16.050 ( 3.979 3.482 0.000) 5.288 16.407 ( 3.075 -9.260 0.000) 9.757 16.477 ( -12.741 -1.105 0.000) 12.789 16.531 ( -3.986 -5.862 0.000) 7.089 16.950 ( 7.715 -6.383 0.000) 10.013 17.015 ( 9.407 -5.923 0.000) 11.116 17.218 ( -4.004 -4.883 0.000) 6.315 17.270 ( -2.158 -4.835 0.000) 5.295 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -9.185 13.660 0.000) 16.461 1.212 ( 9.185 13.660 0.000) 16.461 1.279 ( -2.901 23.528 0.000) 23.706 1.279 ( 2.901 23.528 0.000) 23.706 1.972 ( -6.128 1.175 0.000) 6.239 1.972 ( 6.128 1.175 0.000) 6.239 2.150 ( -24.825 3.817 0.000) 25.116 2.150 ( 24.825 3.817 0.000) 25.116 2.296 ( -7.254 6.075 0.000) 9.462 2.296 ( 7.254 6.075 0.000) 9.462 2.577 ( -5.483 6.414 0.000) 8.438 2.577 ( 5.483 6.414 0.000) 8.438 2.644 ( -9.252 2.489 0.000) 9.581 2.644 ( 9.252 2.489 0.000) 9.581 2.716 ( -0.283 1.227 0.000) 1.259 2.716 ( 0.283 1.227 0.000) 1.259 2.772 ( -5.210 -5.320 0.000) 7.446 2.772 ( 5.210 -5.320 0.000) 7.446 3.128 ( -0.633 13.729 0.000) 13.744 3.128 ( 0.633 13.729 0.000) 13.744 3.215 ( -4.420 22.306 0.000) 22.740 3.215 ( 4.420 22.306 0.000) 22.740 3.387 ( -10.331 8.262 0.000) 13.229 3.387 ( 10.331 8.262 0.000) 13.229 3.614 ( -3.939 10.083 0.000) 10.825 3.614 ( 3.939 10.083 0.000) 10.825 3.769 ( -8.209 -5.216 0.000) 9.725 3.769 ( 8.209 -5.216 0.000) 9.725 4.111 ( -0.586 -2.754 0.000) 2.816 4.111 ( 0.586 -2.754 0.000) 2.816 4.263 ( -4.327 1.671 0.000) 4.639 4.263 ( 4.327 1.671 0.000) 4.639 4.462 ( -3.561 -7.006 0.000) 7.859 4.462 ( 3.561 -7.006 0.000) 7.859 4.700 ( -3.734 2.041 0.000) 4.255 4.700 ( 3.734 2.041 0.000) 4.255 5.023 ( -6.225 3.106 0.000) 6.957 5.023 ( 6.225 3.106 0.000) 6.957 5.158 ( -1.957 -3.365 0.000) 3.893 5.158 ( 1.957 -3.365 0.000) 3.893 5.292 ( -4.921 2.945 0.000) 5.735 5.292 ( 4.921 2.945 0.000) 5.735 5.361 ( -12.835 0.311 0.000) 12.839 5.361 ( 12.835 0.311 0.000) 12.839 5.600 ( -2.965 6.003 0.000) 6.695 5.600 ( 2.965 6.003 0.000) 6.695 5.822 ( -1.908 5.036 0.000) 5.385 5.822 ( 1.908 5.036 0.000) 5.385 6.410 ( -15.909 32.804 0.000) 36.458 6.410 ( 15.909 32.804 0.000) 36.458 6.930 ( -2.762 0.116 0.000) 2.764 6.930 ( 2.762 0.116 0.000) 2.764 7.008 ( -7.077 -0.717 0.000) 7.114 7.008 ( 7.077 -0.717 0.000) 7.114 7.276 ( -0.888 -3.424 0.000) 3.537 7.276 ( 0.888 -3.424 0.000) 3.537 7.472 ( -3.269 -3.272 0.000) 4.625 7.472 ( 3.269 -3.272 0.000) 4.625 7.622 ( -10.130 3.680 0.000) 10.778 7.622 ( 10.130 3.680 0.000) 10.778 8.053 ( -6.889 4.551 0.000) 8.256 8.053 ( 6.889 4.551 0.000) 8.256 8.590 ( -8.795 8.513 0.000) 12.240 8.590 ( 8.795 8.513 0.000) 12.240 8.718 ( -5.436 -4.027 0.000) 6.765 8.718 ( 5.436 -4.027 0.000) 6.765 9.055 ( -3.638 6.610 0.000) 7.545 9.055 ( 3.638 6.610 0.000) 7.545 9.167 ( -1.952 15.230 0.000) 15.354 9.167 ( 1.952 15.230 0.000) 15.354 9.544 ( -12.160 6.921 0.000) 13.991 9.544 ( 12.160 6.921 0.000) 13.991 9.673 ( -7.617 6.885 0.000) 10.268 9.673 ( 7.617 6.885 0.000) 10.268 10.238 ( -6.403 3.973 0.000) 7.535 10.238 ( 6.403 3.973 0.000) 7.535 10.591 ( -10.424 1.887 0.000) 10.593 10.591 ( 10.424 1.887 0.000) 10.593 10.792 ( -20.075 -1.037 0.000) 20.101 10.792 ( 20.075 -1.037 0.000) 20.101 11.049 ( -5.203 8.956 0.000) 10.357 11.049 ( 5.203 8.956 0.000) 10.357 11.590 ( -1.450 3.340 0.000) 3.641 11.590 ( 1.450 3.340 0.000) 3.641 11.958 ( -3.367 2.356 0.000) 4.110 11.958 ( 3.367 2.356 0.000) 4.110 12.423 ( -8.974 -8.333 0.000) 12.246 12.423 ( 8.974 -8.333 0.000) 12.246 13.009 ( -6.747 -2.076 0.000) 7.059 13.009 ( 6.747 -2.076 0.000) 7.059 13.067 ( -1.019 -3.956 0.000) 4.085 13.067 ( 1.019 -3.956 0.000) 4.085 13.463 ( -7.303 0.147 0.000) 7.305 13.463 ( 7.303 0.147 0.000) 7.305 13.984 ( -11.977 0.945 0.000) 12.014 13.984 ( 11.977 0.945 0.000) 12.014 14.731 ( -5.718 -2.565 0.000) 6.267 14.731 ( 5.718 -2.565 0.000) 6.267 15.489 ( -6.746 7.271 0.000) 9.919 15.489 ( 6.746 7.271 0.000) 9.919 16.227 ( -11.634 0.230 0.000) 11.637 16.227 ( 11.634 0.230 0.000) 11.637 16.461 ( -2.914 -7.742 0.000) 8.272 16.461 ( 2.914 -7.742 0.000) 8.272 17.104 ( -7.140 -5.409 0.000) 8.957 17.104 ( 7.140 -5.409 0.000) 8.957 17.180 ( -6.627 -5.219 0.000) 8.435 17.180 ( 6.627 -5.219 0.000) 8.435 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.000 22.531 0.000) 22.531 0.996 ( 0.000 25.126 0.000) 25.126 1.696 ( 0.000 2.239 0.000) 2.239 1.915 ( 0.000 1.254 0.000) 1.254 1.951 ( 0.000 -1.172 0.000) 1.172 2.081 ( 0.000 3.623 0.000) 3.623 2.142 ( 0.000 6.012 0.000) 6.012 2.165 ( 0.000 42.206 0.000) 42.206 2.289 ( 0.000 -7.569 0.000) 7.569 2.413 ( 0.000 -4.982 0.000) 4.982 2.491 ( 0.000 -6.097 0.000) 6.097 2.619 ( 0.000 1.630 0.000) 1.630 2.640 ( 0.000 14.976 0.000) 14.976 2.783 ( 0.000 -2.844 0.000) 2.844 2.852 ( 0.000 3.230 0.000) 3.230 2.900 ( 0.000 18.317 0.000) 18.317 3.028 ( 0.000 -8.505 0.000) 8.505 3.146 ( 0.000 7.647 0.000) 7.647 3.163 ( 0.000 -3.362 0.000) 3.362 3.220 ( 0.000 5.948 0.000) 5.948 3.351 ( 0.000 5.069 0.000) 5.069 3.485 ( 0.000 -17.061 0.000) 17.061 3.651 ( 0.000 3.244 0.000) 3.244 3.810 ( 0.000 12.605 0.000) 12.605 3.847 ( 0.000 10.392 0.000) 10.392 3.863 ( 0.000 23.105 0.000) 23.105 3.903 ( 0.000 -3.318 0.000) 3.318 3.999 ( 0.000 15.181 0.000) 15.181 4.025 ( 0.000 -2.571 0.000) 2.571 4.144 ( 0.000 4.501 0.000) 4.501 4.155 ( 0.000 6.970 0.000) 6.970 4.257 ( 0.000 11.675 0.000) 11.675 4.409 ( 0.000 -2.604 0.000) 2.604 4.555 ( 0.000 -3.004 0.000) 3.004 4.651 ( 0.000 5.762 0.000) 5.762 4.747 ( 0.000 6.329 0.000) 6.329 4.757 ( 0.000 -0.583 0.000) 0.583 4.836 ( 0.000 11.699 0.000) 11.699 5.188 ( 0.000 0.730 0.000) 0.730 5.228 ( 0.000 10.096 0.000) 10.096 5.320 ( 0.000 6.795 0.000) 6.795 5.380 ( 0.000 -1.344 0.000) 1.344 5.474 ( 0.000 6.099 0.000) 6.099 5.502 ( 0.000 -7.273 0.000) 7.273 5.523 ( 0.000 6.052 0.000) 6.052 5.709 ( 0.000 5.808 0.000) 5.808 5.968 ( 0.000 5.751 0.000) 5.751 6.039 ( 0.000 7.029 0.000) 7.029 6.679 ( 0.000 48.120 0.000) 48.120 6.948 ( 0.000 -1.104 0.000) 1.104 6.970 ( 0.000 11.294 0.000) 11.294 7.047 ( 0.000 -5.546 0.000) 5.546 7.122 ( 0.000 -2.244 0.000) 2.244 7.130 ( 0.000 -5.175 0.000) 5.175 7.204 ( 0.000 -4.005 0.000) 4.005 7.235 ( 0.000 -1.076 0.000) 1.076 7.310 ( 0.000 6.556 0.000) 6.556 7.524 ( 0.000 -2.536 0.000) 2.536 7.715 ( 0.000 22.370 0.000) 22.370 8.018 ( 0.000 7.180 0.000) 7.180 8.147 ( 0.000 9.683 0.000) 9.683 8.324 ( 0.000 4.375 0.000) 4.375 8.426 ( 0.000 1.100 0.000) 1.100 8.586 ( 0.000 -5.649 0.000) 5.649 8.907 ( 0.000 6.782 0.000) 6.782 8.936 ( 0.000 5.044 0.000) 5.044 9.056 ( 0.000 -10.817 0.000) 10.817 9.085 ( 0.000 1.611 0.000) 1.611 9.293 ( 0.000 9.479 0.000) 9.479 9.373 ( 0.000 16.895 0.000) 16.895 9.617 ( 0.000 -7.531 0.000) 7.531 9.730 ( 0.000 22.128 0.000) 22.128 9.852 ( 0.000 12.168 0.000) 12.168 9.958 ( 0.000 7.227 0.000) 7.227 10.114 ( 0.000 -1.813 0.000) 1.813 10.145 ( 0.000 33.321 0.000) 33.321 10.284 ( 0.000 5.256 0.000) 5.256 10.555 ( 0.000 15.265 0.000) 15.265 10.769 ( 0.000 6.668 0.000) 6.668 11.237 ( 0.000 11.818 0.000) 11.818 11.345 ( 0.000 7.741 0.000) 7.741 11.580 ( 0.000 1.822 0.000) 1.822 11.607 ( 0.000 13.278 0.000) 13.278 11.785 ( 0.000 4.548 0.000) 4.548 11.960 ( 0.000 6.630 0.000) 6.630 11.981 ( 0.000 0.530 0.000) 0.530 12.245 ( 0.000 6.246 0.000) 6.246 12.467 ( 0.000 -11.170 0.000) 11.170 12.753 ( 0.000 -5.338 0.000) 5.338 12.944 ( 0.000 -9.846 0.000) 9.846 12.947 ( 0.000 -6.705 0.000) 6.705 13.007 ( 0.000 -9.784 0.000) 9.784 13.456 ( 0.000 12.305 0.000) 12.305 13.682 ( 0.000 1.741 0.000) 1.741 13.886 ( 0.000 9.723 0.000) 9.723 14.347 ( 0.000 5.563 0.000) 5.563 14.461 ( 0.000 -7.698 0.000) 7.698 14.794 ( 0.000 -6.092 0.000) 6.092 15.301 ( 0.000 -2.051 0.000) 2.051 15.892 ( 0.000 3.801 0.000) 3.801 16.047 ( 0.000 -13.973 0.000) 13.973 16.322 ( 0.000 7.410 0.000) 7.410 16.456 ( 0.000 -9.689 0.000) 9.689 16.629 ( 0.000 -13.987 0.000) 13.987 16.656 ( 0.000 -3.205 0.000) 3.205 16.699 ( 0.000 -7.024 0.000) 7.024 17.131 ( 0.000 -9.199 0.000) 9.199 17.191 ( 0.000 -5.373 0.000) 5.373 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 12.768 20.207 0.000) 23.903 1.168 ( 25.875 14.005 0.000) 29.422 1.641 ( -6.155 4.763 0.000) 7.782 1.871 ( -6.032 7.038 0.000) 9.269 1.960 ( 0.616 -1.615 0.000) 1.729 2.004 ( -3.725 2.882 0.000) 4.710 2.192 ( 2.765 0.608 0.000) 2.831 2.213 ( 5.635 30.359 0.000) 30.878 2.293 ( -0.561 -6.952 0.000) 6.975 2.399 ( -1.135 -4.223 0.000) 4.373 2.525 ( 4.418 -0.941 0.000) 4.518 2.577 ( -2.490 0.288 0.000) 2.507 2.695 ( 4.543 10.519 0.000) 11.458 2.726 ( -5.125 -2.784 0.000) 5.832 2.845 ( -0.023 8.521 0.000) 8.521 2.879 ( -1.887 15.632 0.000) 15.745 2.949 ( -4.639 3.471 0.000) 5.794 3.126 ( -6.227 -2.166 0.000) 6.593 3.184 ( 0.067 -2.839 0.000) 2.840 3.295 ( 6.959 7.974 0.000) 10.583 3.345 ( -14.501 4.102 0.000) 15.070 3.443 ( 8.961 2.731 0.000) 9.368 3.623 ( -1.282 -1.374 0.000) 1.879 3.657 ( -12.516 -1.470 0.000) 12.602 3.719 ( -3.754 8.368 0.000) 9.172 3.823 ( -3.530 19.182 0.000) 19.504 3.942 ( 2.803 18.172 0.000) 18.387 3.971 ( -0.385 1.804 0.000) 1.845 4.046 ( 3.490 -3.044 0.000) 4.630 4.189 ( 3.585 1.883 0.000) 4.050 4.214 ( -2.221 17.160 0.000) 17.303 4.303 ( 4.086 12.436 0.000) 13.090 4.406 ( -1.383 0.115 0.000) 1.388 4.466 ( -5.162 -0.363 0.000) 5.175 4.688 ( 0.052 5.389 0.000) 5.389 4.781 ( 0.736 -0.739 0.000) 1.043 4.813 ( 12.591 -0.787 0.000) 12.616 5.081 ( 15.720 6.841 0.000) 17.144 5.137 ( -3.792 -0.200 0.000) 3.797 5.214 ( -7.768 0.341 0.000) 7.775 5.251 ( -6.373 5.876 0.000) 8.668 5.294 ( 5.409 6.824 0.000) 8.708 5.446 ( -2.437 4.652 0.000) 5.252 5.550 ( -0.223 6.384 0.000) 6.388 5.672 ( -1.721 5.907 0.000) 6.152 5.685 ( 9.729 -3.433 0.000) 10.317 5.898 ( -5.389 7.596 0.000) 9.313 6.007 ( -3.270 5.747 0.000) 6.612 6.796 ( 10.313 35.216 0.000) 36.695 6.932 ( -1.420 -0.140 0.000) 1.427 6.969 ( -4.754 -4.382 0.000) 6.465 7.009 ( 3.471 13.766 0.000) 14.197 7.067 ( -3.809 -1.450 0.000) 4.076 7.166 ( 1.846 -4.249 0.000) 4.633 7.199 ( -0.444 -4.151 0.000) 4.175 7.242 ( -0.939 4.919 0.000) 5.008 7.378 ( 5.810 6.531 0.000) 8.741 7.541 ( 2.967 0.127 0.000) 2.970 7.586 ( -10.095 22.121 0.000) 24.316 7.987 ( -7.853 7.200 0.000) 10.654 8.133 ( -0.393 8.509 0.000) 8.518 8.286 ( -6.903 4.623 0.000) 8.308 8.461 ( 10.070 2.896 0.000) 10.478 8.633 ( 3.561 -4.492 0.000) 5.732 8.696 ( -3.237 5.301 0.000) 6.212 8.924 ( -0.159 8.329 0.000) 8.330 9.073 ( 2.104 -5.540 0.000) 5.926 9.184 ( -8.851 4.219 0.000) 9.806 9.410 ( 2.556 14.703 0.000) 14.924 9.511 ( 1.709 9.195 0.000) 9.353 9.635 ( 12.449 3.685 0.000) 12.983 9.765 ( -4.815 23.676 0.000) 24.161 9.894 ( 12.673 5.983 0.000) 14.014 9.939 ( 2.096 9.543 0.000) 9.771 10.095 ( 3.124 6.400 0.000) 7.122 10.336 ( 8.668 22.701 0.000) 24.300 10.422 ( 12.765 -4.888 0.000) 13.668 10.558 ( 2.095 11.555 0.000) 11.743 10.726 ( -3.121 7.265 0.000) 7.907 11.147 ( -17.736 0.245 0.000) 17.738 11.195 ( -3.084 10.675 0.000) 11.112 11.432 ( -10.425 11.216 0.000) 15.313 11.649 ( 1.539 4.966 0.000) 5.199 11.746 ( -3.190 6.402 0.000) 7.153 11.982 ( 1.892 5.294 0.000) 5.622 12.017 ( 1.657 2.022 0.000) 2.614 12.251 ( 0.963 3.312 0.000) 3.449 12.405 ( -5.298 -9.775 0.000) 11.119 12.809 ( 5.076 -5.187 0.000) 7.258 12.941 ( -0.105 -7.300 0.000) 7.301 12.953 ( 0.415 -9.140 0.000) 9.150 13.001 ( -1.674 -8.981 0.000) 9.135 13.455 ( 0.439 9.499 0.000) 9.509 13.615 ( -5.755 1.257 0.000) 5.891 13.931 ( 4.622 10.216 0.000) 11.212 14.221 ( -8.244 3.815 0.000) 9.084 14.556 ( 5.646 -4.060 0.000) 6.954 14.753 ( -3.740 -5.378 0.000) 6.550 15.400 ( 9.089 0.966 0.000) 9.141 15.842 ( -7.340 3.350 0.000) 8.069 16.071 ( 4.122 -5.053 0.000) 6.521 16.273 ( -2.027 0.931 0.000) 2.230 16.356 ( -6.536 -11.937 0.000) 13.609 16.449 ( -10.414 -2.046 0.000) 10.613 16.776 ( 9.528 -11.040 0.000) 14.583 16.883 ( 9.564 -7.407 0.000) 12.097 17.085 ( -4.360 -9.037 0.000) 10.034 17.160 ( -3.481 -6.744 0.000) 7.589 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -13.136 12.064 0.000) 17.835 1.423 ( 13.136 12.064 0.000) 17.835 1.637 ( -16.870 11.296 0.000) 20.302 1.637 ( 16.870 11.296 0.000) 20.302 1.970 ( -0.580 -1.432 0.000) 1.545 1.970 ( 0.580 -1.432 0.000) 1.545 2.244 ( -2.406 -0.570 0.000) 2.472 2.244 ( 2.406 -0.570 0.000) 2.472 2.361 ( -3.936 0.161 0.000) 3.939 2.361 ( 3.936 0.161 0.000) 3.939 2.604 ( -5.609 -6.596 0.000) 8.658 2.604 ( 5.609 -6.596 0.000) 8.658 2.707 ( -11.833 3.018 0.000) 12.211 2.707 ( 11.833 3.018 0.000) 12.211 2.848 ( -1.864 9.711 0.000) 9.888 2.848 ( 1.864 9.711 0.000) 9.888 2.881 ( -4.066 25.593 0.000) 25.914 2.881 ( 4.066 25.593 0.000) 25.914 3.206 ( -1.841 -0.790 0.000) 2.004 3.206 ( 1.841 -0.790 0.000) 2.004 3.443 ( -8.991 2.312 0.000) 9.284 3.443 ( 8.991 2.312 0.000) 9.284 3.616 ( -3.072 -7.485 0.000) 8.091 3.616 ( 3.072 -7.485 0.000) 8.091 3.709 ( -5.512 16.786 0.000) 17.668 3.709 ( 5.512 16.786 0.000) 17.668 3.957 ( -0.295 7.223 0.000) 7.229 3.957 ( 0.295 7.223 0.000) 7.229 4.139 ( -4.405 14.578 0.000) 15.229 4.139 ( 4.405 14.578 0.000) 15.229 4.298 ( -6.844 -6.251 0.000) 9.268 4.298 ( 6.844 -6.251 0.000) 9.268 4.392 ( -4.123 11.604 0.000) 12.315 4.392 ( 4.123 11.604 0.000) 12.315 4.743 ( -3.946 2.115 0.000) 4.477 4.743 ( 3.946 2.115 0.000) 4.477 5.050 ( -8.888 -3.819 0.000) 9.673 5.050 ( 8.888 -3.819 0.000) 9.673 5.128 ( -0.812 4.377 0.000) 4.452 5.128 ( 0.812 4.377 0.000) 4.452 5.349 ( -8.713 3.198 0.000) 9.282 5.349 ( 8.713 3.198 0.000) 9.282 5.437 ( -8.594 7.361 0.000) 11.316 5.437 ( 8.594 7.361 0.000) 11.316 5.722 ( -4.923 5.197 0.000) 7.159 5.722 ( 4.923 5.197 0.000) 7.159 5.908 ( -6.096 3.404 0.000) 6.982 5.908 ( 6.096 3.404 0.000) 6.982 6.908 ( -1.028 -3.041 0.000) 3.210 6.908 ( 1.028 -3.041 0.000) 3.210 6.997 ( -4.950 2.418 0.000) 5.509 6.997 ( 4.950 2.418 0.000) 5.509 7.121 ( -9.030 27.845 0.000) 29.272 7.121 ( 9.030 27.845 0.000) 29.272 7.190 ( -0.261 -1.098 0.000) 1.128 7.190 ( 0.261 -1.098 0.000) 1.128 7.453 ( -2.592 4.250 0.000) 4.978 7.453 ( 2.592 4.250 0.000) 4.978 7.727 ( -14.368 8.235 0.000) 16.561 7.727 ( 14.368 8.235 0.000) 16.561 8.166 ( -3.969 6.142 0.000) 7.313 8.166 ( 3.969 6.142 0.000) 7.313 8.681 ( -0.183 -0.497 0.000) 0.530 8.681 ( 0.183 -0.497 0.000) 0.530 8.763 ( -14.930 8.647 0.000) 17.253 8.763 ( 14.930 8.647 0.000) 17.253 9.091 ( -0.375 -2.382 0.000) 2.412 9.091 ( 0.375 -2.382 0.000) 2.412 9.446 ( -2.283 11.485 0.000) 11.710 9.446 ( 2.283 11.485 0.000) 11.710 9.819 ( -8.192 19.293 0.000) 20.960 9.819 ( 8.192 19.293 0.000) 20.960 9.888 ( -8.419 16.851 0.000) 18.837 9.888 ( 8.419 16.851 0.000) 18.837 10.365 ( -7.049 9.153 0.000) 11.552 10.365 ( 7.049 9.153 0.000) 11.552 10.608 ( -2.172 -0.846 0.000) 2.331 10.608 ( 2.172 -0.846 0.000) 2.331 10.793 ( -12.868 1.702 0.000) 12.980 10.793 ( 12.868 1.702 0.000) 12.980 11.213 ( -7.873 7.103 0.000) 10.604 11.213 ( 7.873 7.103 0.000) 10.604 11.685 ( -2.430 6.763 0.000) 7.186 11.685 ( 2.430 6.763 0.000) 7.186 12.018 ( -1.296 3.577 0.000) 3.805 12.018 ( 1.296 3.577 0.000) 3.805 12.301 ( -4.197 -3.933 0.000) 5.752 12.301 ( 4.197 -3.933 0.000) 5.752 12.924 ( -5.570 -6.485 0.000) 8.548 12.924 ( 5.570 -6.485 0.000) 8.548 12.949 ( -0.648 -8.195 0.000) 8.220 12.949 ( 0.648 -8.195 0.000) 8.220 13.502 ( -4.487 3.982 0.000) 5.999 13.502 ( 4.487 3.982 0.000) 5.999 14.059 ( -7.672 7.524 0.000) 10.746 14.059 ( 7.672 7.524 0.000) 10.746 14.662 ( -5.027 -4.242 0.000) 6.577 14.662 ( 5.027 -4.242 0.000) 6.577 15.624 ( -12.344 5.468 0.000) 13.501 15.624 ( 12.344 5.468 0.000) 13.501 16.210 ( -8.405 -6.207 0.000) 10.449 16.210 ( 8.405 -6.207 0.000) 10.449 16.294 ( -4.128 -4.198 0.000) 5.888 16.294 ( 4.128 -4.198 0.000) 5.888 16.959 ( -8.118 -9.465 0.000) 12.470 16.959 ( 8.118 -9.465 0.000) 12.470 17.052 ( -7.115 -7.913 0.000) 10.641 17.052 ( 7.115 -7.913 0.000) 10.641 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.000 22.566 0.000) 22.566 1.456 ( 0.000 22.295 0.000) 22.295 1.733 ( 0.000 1.456 0.000) 1.456 1.923 ( 0.000 0.240 0.000) 0.240 1.937 ( 0.000 -0.080 0.000) 0.080 2.124 ( 0.000 1.785 0.000) 1.785 2.160 ( 0.000 -5.153 0.000) 5.153 2.223 ( 0.000 2.535 0.000) 2.535 2.311 ( 0.000 -7.630 0.000) 7.630 2.312 ( 0.000 -4.332 0.000) 4.332 2.573 ( 0.000 -3.509 0.000) 3.509 2.605 ( 0.000 -7.717 0.000) 7.717 2.657 ( 0.000 2.200 0.000) 2.200 2.796 ( 0.000 -10.594 0.000) 10.594 2.969 ( 0.000 4.445 0.000) 4.445 3.028 ( 0.000 -6.595 0.000) 6.595 3.115 ( 0.000 14.613 0.000) 14.613 3.230 ( 0.000 -2.962 0.000) 2.962 3.269 ( 0.000 5.027 0.000) 5.027 3.283 ( 0.000 16.340 0.000) 16.340 3.445 ( 0.000 5.072 0.000) 5.072 3.467 ( 0.000 22.116 0.000) 22.116 3.698 ( 0.000 1.984 0.000) 1.984 3.769 ( 0.000 -8.202 0.000) 8.202 3.787 ( 0.000 -7.747 0.000) 7.747 3.803 ( 0.000 -4.447 0.000) 4.447 3.941 ( 0.000 -3.461 0.000) 3.461 4.184 ( 0.000 7.579 0.000) 7.579 4.248 ( 0.000 6.938 0.000) 6.938 4.286 ( 0.000 10.524 0.000) 10.524 4.386 ( 0.000 1.933 0.000) 1.933 4.504 ( 0.000 -0.706 0.000) 0.706 4.542 ( 0.000 22.402 0.000) 22.402 4.670 ( 0.000 18.587 0.000) 18.587 4.690 ( 0.000 1.417 0.000) 1.417 4.709 ( 0.000 -1.800 0.000) 1.800 4.890 ( 0.000 4.260 0.000) 4.260 5.003 ( 0.000 3.911 0.000) 3.911 5.202 ( 0.000 -0.142 0.000) 0.142 5.257 ( 0.000 -2.604 0.000) 2.604 5.396 ( 0.000 -3.399 0.000) 3.399 5.409 ( 0.000 -0.142 0.000) 0.142 5.607 ( 0.000 7.219 0.000) 7.219 5.618 ( 0.000 20.863 0.000) 20.863 5.646 ( 0.000 5.386 0.000) 5.386 5.853 ( 0.000 9.668 0.000) 9.668 6.064 ( 0.000 4.871 0.000) 4.871 6.131 ( 0.000 4.372 0.000) 4.372 6.868 ( 0.000 -5.531 0.000) 5.531 6.912 ( 0.000 -6.867 0.000) 6.867 6.997 ( 0.000 -7.425 0.000) 7.425 7.070 ( 0.000 -2.931 0.000) 2.931 7.076 ( 0.000 -1.313 0.000) 1.313 7.147 ( 0.000 -6.622 0.000) 6.622 7.154 ( 0.000 7.343 0.000) 7.343 7.436 ( 0.000 -0.095 0.000) 0.095 7.579 ( 0.000 18.472 0.000) 18.472 7.648 ( 0.000 32.136 0.000) 32.136 8.144 ( 0.000 17.026 0.000) 17.026 8.170 ( 0.000 7.922 0.000) 7.922 8.291 ( 0.000 5.078 0.000) 5.078 8.418 ( 0.000 5.755 0.000) 5.755 8.470 ( 0.000 -6.164 0.000) 6.164 8.474 ( 0.000 5.475 0.000) 5.475 8.834 ( 0.000 -11.484 0.000) 11.484 8.957 ( 0.000 -1.844 0.000) 1.844 8.975 ( 0.000 2.883 0.000) 2.883 9.181 ( 0.000 7.768 0.000) 7.768 9.480 ( 0.000 -3.567 0.000) 3.567 9.481 ( 0.000 -6.367 0.000) 6.367 9.605 ( 0.000 20.455 0.000) 20.455 10.047 ( 0.000 -3.488 0.000) 3.488 10.080 ( 0.000 9.176 0.000) 9.176 10.178 ( 0.000 13.286 0.000) 13.286 10.283 ( 0.000 22.975 0.000) 22.975 10.410 ( 0.000 15.905 0.000) 15.905 10.739 ( 0.000 18.982 0.000) 18.982 10.885 ( 0.000 23.149 0.000) 23.149 10.940 ( 0.000 9.483 0.000) 9.483 11.474 ( 0.000 11.248 0.000) 11.248 11.528 ( 0.000 14.448 0.000) 14.448 11.633 ( 0.000 3.649 0.000) 3.649 11.817 ( 0.000 7.295 0.000) 7.295 11.915 ( 0.000 9.849 0.000) 9.849 11.981 ( 0.000 -2.265 0.000) 2.265 12.005 ( 0.000 -4.011 0.000) 4.011 12.226 ( 0.000 -11.549 0.000) 11.549 12.336 ( 0.000 4.928 0.000) 4.928 12.655 ( 0.000 -5.223 0.000) 5.223 12.717 ( 0.000 -13.373 0.000) 13.373 12.768 ( 0.000 -11.687 0.000) 11.687 12.812 ( 0.000 -10.258 0.000) 10.258 13.701 ( 0.000 0.475 0.000) 0.475 13.816 ( 0.000 23.548 0.000) 23.548 14.066 ( 0.000 8.773 0.000) 8.773 14.235 ( 0.000 -15.633 0.000) 15.633 14.598 ( 0.000 20.304 0.000) 20.304 14.677 ( 0.000 -5.313 0.000) 5.313 15.293 ( 0.000 1.642 0.000) 1.642 15.628 ( 0.000 -23.508 0.000) 23.508 16.088 ( 0.000 10.798 0.000) 10.798 16.215 ( 0.000 -14.913 0.000) 14.913 16.305 ( 0.000 -17.638 0.000) 17.638 16.488 ( 0.000 9.644 0.000) 9.644 16.587 ( 0.000 -4.290 0.000) 4.290 16.611 ( 0.000 -2.658 0.000) 2.658 16.913 ( 0.000 -13.217 0.000) 13.217 17.062 ( 0.000 -8.037 0.000) 8.037 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 17.245 16.442 0.000) 23.827 1.523 ( 6.019 18.834 0.000) 19.772 1.723 ( -1.378 3.483 0.000) 3.746 1.911 ( -1.234 0.166 0.000) 1.245 1.941 ( 0.224 -0.288 0.000) 0.365 2.075 ( -5.495 3.486 0.000) 6.508 2.156 ( 0.666 -5.493 0.000) 5.533 2.219 ( -0.453 1.897 0.000) 1.950 2.302 ( -0.046 -4.542 0.000) 4.543 2.309 ( -0.291 -5.533 0.000) 5.540 2.556 ( -3.733 -0.710 0.000) 3.800 2.566 ( -4.138 -7.873 0.000) 8.895 2.623 ( 0.301 -0.977 0.000) 1.022 2.842 ( 3.836 -8.406 0.000) 9.240 2.842 ( -8.263 -1.828 0.000) 8.463 3.017 ( -3.899 -5.517 0.000) 6.756 3.151 ( 4.198 8.126 0.000) 9.146 3.189 ( -0.454 11.930 0.000) 11.939 3.320 ( 1.586 9.915 0.000) 10.041 3.373 ( 5.057 2.842 0.000) 5.801 3.441 ( 2.842 5.457 0.000) 6.152 3.518 ( 3.012 16.766 0.000) 17.034 3.604 ( -6.293 -2.740 0.000) 6.863 3.752 ( 1.705 0.705 0.000) 1.844 3.833 ( -0.895 9.548 0.000) 9.590 3.876 ( -12.943 4.917 0.000) 13.846 3.925 ( 4.082 -7.331 0.000) 8.391 3.954 ( 4.590 -3.815 0.000) 5.969 4.123 ( -9.279 6.260 0.000) 11.193 4.327 ( -8.069 -4.698 0.000) 9.337 4.439 ( 5.636 7.848 0.000) 9.663 4.551 ( 0.702 21.673 0.000) 21.684 4.645 ( 8.735 10.506 0.000) 13.663 4.666 ( -0.207 15.754 0.000) 15.756 4.737 ( 2.231 -1.639 0.000) 2.768 4.742 ( 4.927 0.034 0.000) 4.927 4.827 ( -0.998 2.182 0.000) 2.400 5.132 ( -6.418 -0.834 0.000) 6.472 5.154 ( 7.325 -1.166 0.000) 7.417 5.230 ( 2.936 4.215 0.000) 5.136 5.365 ( -4.803 2.733 0.000) 5.527 5.478 ( 5.778 1.607 0.000) 5.997 5.539 ( -4.767 5.036 0.000) 6.934 5.667 ( -0.298 2.928 0.000) 2.943 5.677 ( 4.841 10.674 0.000) 11.720 5.803 ( -3.950 9.171 0.000) 9.986 6.034 ( -2.462 6.710 0.000) 7.148 6.088 ( -3.798 4.606 0.000) 5.970 6.845 ( -1.359 -4.741 0.000) 4.932 6.872 ( -2.705 -4.477 0.000) 5.231 7.009 ( 1.032 -6.293 0.000) 6.377 7.046 ( -1.142 -1.633 0.000) 1.993 7.070 ( -1.004 -4.098 0.000) 4.219 7.114 ( -3.206 4.948 0.000) 5.896 7.201 ( 4.576 -5.219 0.000) 6.941 7.388 ( -3.713 -1.040 0.000) 3.856 7.672 ( 8.425 19.278 0.000) 21.039 7.762 ( 9.742 28.720 0.000) 30.327 8.073 ( -7.337 18.480 0.000) 19.883 8.176 ( -4.406 14.659 0.000) 15.307 8.259 ( -1.645 4.587 0.000) 4.874 8.359 ( -7.798 3.762 0.000) 8.658 8.538 ( 14.569 4.775 0.000) 15.332 8.543 ( 5.717 -4.888 0.000) 7.522 8.769 ( -6.720 1.664 0.000) 6.923 8.931 ( 6.032 -8.448 0.000) 10.381 8.995 ( 1.366 1.411 0.000) 1.964 9.302 ( -14.796 4.014 0.000) 15.331 9.528 ( 7.097 -0.324 0.000) 7.104 9.623 ( -0.344 11.364 0.000) 11.369 9.675 ( 29.248 0.230 0.000) 29.249 10.142 ( 9.597 -0.742 0.000) 9.626 10.151 ( 6.015 8.796 0.000) 10.657 10.235 ( 7.672 11.431 0.000) 13.767 10.250 ( -2.315 24.342 0.000) 24.452 10.420 ( 0.702 14.477 0.000) 14.494 10.755 ( -1.797 15.120 0.000) 15.226 10.880 ( -0.266 22.792 0.000) 22.793 10.908 ( -2.716 9.748 0.000) 10.119 11.169 ( -26.085 4.755 0.000) 26.515 11.408 ( -5.394 10.670 0.000) 11.956 11.551 ( -15.707 0.661 0.000) 15.721 11.778 ( 3.415 9.345 0.000) 9.949 11.898 ( -1.607 9.035 0.000) 9.177 12.031 ( 2.034 -1.840 0.000) 2.743 12.052 ( 2.703 -0.640 0.000) 2.777 12.222 ( -0.010 -7.128 0.000) 7.128 12.301 ( -3.076 3.357 0.000) 4.553 12.691 ( 3.020 -8.338 0.000) 8.868 12.746 ( 1.824 -11.382 0.000) 11.527 12.755 ( -0.753 -11.767 0.000) 11.791 12.810 ( -0.789 -10.694 0.000) 10.723 13.648 ( -2.887 3.236 0.000) 4.337 13.740 ( -5.575 19.016 0.000) 19.816 14.137 ( 5.196 10.479 0.000) 11.697 14.254 ( 0.602 -6.521 0.000) 6.549 14.594 ( 0.031 13.456 0.000) 13.456 14.655 ( -1.965 -3.686 0.000) 4.177 15.421 ( 10.723 0.515 0.000) 10.735 15.638 ( 0.539 -21.351 0.000) 21.358 16.098 ( -5.146 -13.100 0.000) 14.074 16.104 ( 0.813 8.950 0.000) 8.986 16.387 ( -1.299 -6.199 0.000) 6.333 16.400 ( -7.067 9.389 0.000) 11.751 16.567 ( 6.781 -8.273 0.000) 10.697 16.739 ( 7.115 -7.410 0.000) 10.273 16.873 ( -3.939 -12.788 0.000) 13.381 17.008 ( -5.120 -9.018 0.000) 10.370 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -5.575 10.728 0.000) 12.090 1.652 ( 5.575 10.728 0.000) 12.090 1.809 ( -12.770 6.832 0.000) 14.483 1.809 ( 12.770 6.832 0.000) 14.483 1.955 ( -2.558 0.906 0.000) 2.713 1.955 ( 2.558 0.906 0.000) 2.713 2.199 ( -2.278 -2.385 0.000) 3.298 2.199 ( 2.278 -2.385 0.000) 3.298 2.304 ( -0.067 -4.124 0.000) 4.124 2.304 ( 0.067 -4.124 0.000) 4.124 2.493 ( -0.320 -3.676 0.000) 3.690 2.493 ( 0.320 -3.676 0.000) 3.690 2.695 ( -5.956 -3.633 0.000) 6.977 2.695 ( 5.956 -3.633 0.000) 6.977 2.925 ( -4.429 -4.337 0.000) 6.199 2.925 ( 4.429 -4.337 0.000) 6.199 3.194 ( -0.325 7.419 0.000) 7.426 3.194 ( 0.325 7.419 0.000) 7.426 3.426 ( -5.944 -1.450 0.000) 6.119 3.426 ( 5.944 -1.450 0.000) 6.119 3.468 ( -1.863 4.921 0.000) 5.262 3.468 ( 1.863 4.921 0.000) 5.262 3.603 ( -7.061 22.059 0.000) 23.162 3.603 ( 7.061 22.059 0.000) 23.162 3.865 ( -5.157 2.746 0.000) 5.842 3.865 ( 5.157 2.746 0.000) 5.842 3.946 ( -3.798 -0.574 0.000) 3.841 3.946 ( 3.798 -0.574 0.000) 3.841 4.136 ( -10.173 -6.697 0.000) 12.179 4.136 ( 10.173 -6.697 0.000) 12.179 4.534 ( -3.143 15.844 0.000) 16.152 4.534 ( 3.143 15.844 0.000) 16.152 4.679 ( -1.342 12.603 0.000) 12.674 4.679 ( 1.342 12.603 0.000) 12.674 4.773 ( -0.999 1.524 0.000) 1.822 4.773 ( 0.999 1.524 0.000) 1.822 4.968 ( -9.674 -3.341 0.000) 10.235 4.968 ( 9.674 -3.341 0.000) 10.235 5.242 ( -5.923 4.568 0.000) 7.480 5.242 ( 5.923 4.568 0.000) 7.480 5.407 ( -8.951 2.536 0.000) 9.303 5.407 ( 8.951 2.536 0.000) 9.303 5.599 ( -5.878 4.231 0.000) 7.242 5.599 ( 5.878 4.231 0.000) 7.242 5.751 ( -1.848 3.596 0.000) 4.043 5.751 ( 1.848 3.596 0.000) 4.043 6.017 ( -1.944 7.667 0.000) 7.910 6.017 ( 1.944 7.667 0.000) 7.910 6.837 ( -0.642 -3.540 0.000) 3.598 6.837 ( 0.642 -3.540 0.000) 3.598 7.037 ( -1.676 -3.508 0.000) 3.888 7.037 ( 1.676 -3.508 0.000) 3.888 7.056 ( -1.932 -0.803 0.000) 2.092 7.056 ( 1.932 -0.803 0.000) 2.092 7.301 ( -4.935 -3.397 0.000) 5.991 7.301 ( 4.935 -3.397 0.000) 5.991 7.880 ( -11.251 19.783 0.000) 22.759 7.880 ( 11.251 19.783 0.000) 22.759 7.984 ( -11.693 22.957 0.000) 25.763 7.984 ( 11.693 22.957 0.000) 25.763 8.260 ( -2.087 3.396 0.000) 3.986 8.260 ( 2.087 3.396 0.000) 3.986 8.659 ( -5.457 -2.457 0.000) 5.984 8.659 ( 5.457 -2.457 0.000) 5.984 8.918 ( -18.693 6.924 0.000) 19.934 8.918 ( 18.693 6.924 0.000) 19.934 9.018 ( -3.544 -3.866 0.000) 5.244 9.018 ( 3.544 -3.866 0.000) 5.244 9.598 ( -1.853 6.674 0.000) 6.927 9.598 ( 1.853 6.674 0.000) 6.927 10.148 ( -9.395 9.384 0.000) 13.279 10.148 ( 9.395 9.384 0.000) 13.279 10.268 ( -0.206 18.446 0.000) 18.447 10.268 ( 0.206 18.446 0.000) 18.447 10.513 ( -17.801 3.403 0.000) 18.123 10.513 ( 17.801 3.403 0.000) 18.123 10.639 ( -24.740 9.766 0.000) 26.598 10.639 ( 24.740 9.766 0.000) 26.598 10.873 ( -0.541 6.745 0.000) 6.766 10.873 ( 0.541 6.745 0.000) 6.766 11.336 ( -1.245 6.697 0.000) 6.812 11.336 ( 1.245 6.697 0.000) 6.812 11.850 ( -3.223 9.702 0.000) 10.223 11.850 ( 3.223 9.702 0.000) 10.223 12.066 ( -0.959 -0.579 0.000) 1.120 12.066 ( 0.959 -0.579 0.000) 1.120 12.241 ( -2.205 -1.169 0.000) 2.496 12.241 ( 2.205 -1.169 0.000) 2.496 12.742 ( -1.182 -12.305 0.000) 12.362 12.742 ( 1.182 -12.305 0.000) 12.362 12.777 ( -1.944 -9.909 0.000) 10.098 12.777 ( 1.944 -9.909 0.000) 10.098 13.648 ( -2.844 11.782 0.000) 12.121 13.648 ( 2.844 11.782 0.000) 12.121 14.228 ( -3.293 6.180 0.000) 7.003 14.228 ( 3.293 6.180 0.000) 7.003 14.613 ( -1.817 2.196 0.000) 2.850 14.613 ( 1.817 2.196 0.000) 2.850 15.607 ( -5.348 -10.769 0.000) 12.024 15.607 ( 5.348 -10.769 0.000) 12.024 16.074 ( -2.682 -0.308 0.000) 2.699 16.074 ( 2.682 -0.308 0.000) 2.699 16.329 ( -1.434 4.420 0.000) 4.647 16.329 ( 1.434 4.420 0.000) 4.647 16.750 ( -8.542 -11.931 0.000) 14.673 16.750 ( 8.542 -11.931 0.000) 14.673 16.880 ( -7.016 -9.820 0.000) 12.069 16.880 ( 7.016 -9.820 0.000) 12.069 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 0.000 13.712 0.000) 13.712 1.747 ( 0.000 -0.398 0.000) 0.398 1.814 ( 0.000 13.058 0.000) 13.058 1.924 ( 0.000 -0.753 0.000) 0.753 1.986 ( 0.000 7.979 0.000) 7.979 2.117 ( 0.000 1.064 0.000) 1.064 2.151 ( 0.000 1.893 0.000) 1.893 2.174 ( 0.000 -6.231 0.000) 6.231 2.221 ( 0.000 -3.139 0.000) 3.139 2.299 ( 0.000 -18.844 0.000) 18.844 2.304 ( 0.000 4.315 0.000) 4.315 2.446 ( 0.000 -8.819 0.000) 8.819 2.694 ( 0.000 1.468 0.000) 1.468 2.715 ( 0.000 -1.064 0.000) 1.064 2.874 ( 0.000 -4.125 0.000) 4.125 2.900 ( 0.000 -5.434 0.000) 5.434 3.279 ( 0.000 5.189 0.000) 5.189 3.327 ( 0.000 0.504 0.000) 0.504 3.385 ( 0.000 10.779 0.000) 10.779 3.522 ( 0.000 3.913 0.000) 3.913 3.560 ( 0.000 6.870 0.000) 6.870 3.626 ( 0.000 -2.524 0.000) 2.524 3.644 ( 0.000 -1.635 0.000) 1.635 3.663 ( 0.000 -3.950 0.000) 3.950 3.701 ( 0.000 -2.665 0.000) 2.665 3.707 ( 0.000 -7.023 0.000) 7.023 4.194 ( 0.000 24.250 0.000) 24.250 4.248 ( 0.000 1.024 0.000) 1.024 4.270 ( 0.000 -1.296 0.000) 1.296 4.426 ( 0.000 3.949 0.000) 3.949 4.451 ( 0.000 1.578 0.000) 1.578 4.551 ( 0.000 -12.162 0.000) 12.162 4.577 ( 0.000 7.084 0.000) 7.084 4.693 ( 0.000 -3.140 0.000) 3.140 4.914 ( 0.000 17.598 0.000) 17.598 4.936 ( 0.000 2.772 0.000) 2.772 4.993 ( 0.000 11.839 0.000) 11.839 4.999 ( 0.000 -2.769 0.000) 2.769 5.155 ( 0.000 -5.094 0.000) 5.094 5.247 ( 0.000 -15.351 0.000) 15.351 5.256 ( 0.000 2.790 0.000) 2.790 5.334 ( 0.000 -4.083 0.000) 4.083 5.711 ( 0.000 2.958 0.000) 2.958 5.718 ( 0.000 2.020 0.000) 2.020 5.990 ( 0.000 15.206 0.000) 15.206 6.071 ( 0.000 11.290 0.000) 11.290 6.135 ( 0.000 0.221 0.000) 0.221 6.199 ( 0.000 -0.323 0.000) 0.323 6.780 ( 0.000 -1.986 0.000) 1.986 6.838 ( 0.000 -7.311 0.000) 7.311 6.847 ( 0.000 1.748 0.000) 1.748 6.965 ( 0.000 -8.215 0.000) 8.215 7.058 ( 0.000 -0.646 0.000) 0.646 7.060 ( 0.000 -1.319 0.000) 1.319 7.275 ( 0.000 5.535 0.000) 5.535 7.371 ( 0.000 -4.439 0.000) 4.439 7.916 ( 0.000 14.831 0.000) 14.831 8.051 ( 0.000 5.319 0.000) 5.319 8.288 ( 0.000 3.597 0.000) 3.597 8.301 ( 0.000 2.288 0.000) 2.288 8.347 ( 0.000 1.055 0.000) 1.055 8.367 ( 0.000 -3.149 0.000) 3.149 8.511 ( 0.000 4.998 0.000) 4.998 8.638 ( 0.000 -8.480 0.000) 8.480 8.689 ( 0.000 12.669 0.000) 12.669 8.877 ( 0.000 -6.740 0.000) 6.740 9.102 ( 0.000 10.717 0.000) 10.717 9.321 ( 0.000 5.075 0.000) 5.075 9.329 ( 0.000 -11.026 0.000) 11.026 9.386 ( 0.000 -3.329 0.000) 3.329 9.985 ( 0.000 16.706 0.000) 16.706 10.045 ( 0.000 4.208 0.000) 4.208 10.170 ( 0.000 -6.522 0.000) 6.522 10.170 ( 0.000 -1.660 0.000) 1.660 10.657 ( 0.000 14.703 0.000) 14.703 10.842 ( 0.000 -3.927 0.000) 3.927 10.862 ( 0.000 21.133 0.000) 21.133 11.061 ( 0.000 0.537 0.000) 0.537 11.332 ( 0.000 20.397 0.000) 20.397 11.636 ( 0.000 6.843 0.000) 6.843 11.653 ( 0.000 -8.238 0.000) 8.238 11.815 ( 0.000 4.100 0.000) 4.100 11.821 ( 0.000 -12.364 0.000) 12.364 11.834 ( 0.000 -4.993 0.000) 4.993 12.019 ( 0.000 20.643 0.000) 20.643 12.169 ( 0.000 3.547 0.000) 3.547 12.175 ( 0.000 16.176 0.000) 16.176 12.437 ( 0.000 -0.000 0.000) 0.000 12.462 ( 0.000 -11.103 0.000) 11.103 12.505 ( 0.000 -11.354 0.000) 11.354 12.525 ( 0.000 -8.297 0.000) 8.297 12.626 ( 0.000 -8.780 0.000) 8.780 13.735 ( 0.000 4.409 0.000) 4.409 13.918 ( 0.000 -14.798 0.000) 14.798 14.213 ( 0.000 6.023 0.000) 6.023 14.216 ( 0.000 11.025 0.000) 11.025 14.688 ( 0.000 12.164 0.000) 12.164 15.045 ( 0.000 22.909 0.000) 22.909 15.128 ( 0.000 -27.379 0.000) 27.379 15.319 ( 0.000 -2.953 0.000) 2.953 15.944 ( 0.000 -9.291 0.000) 9.291 15.996 ( 0.000 -12.612 0.000) 12.612 16.338 ( 0.000 14.702 0.000) 14.702 16.541 ( 0.000 -0.471 0.000) 0.471 16.561 ( 0.000 -2.190 0.000) 2.190 16.632 ( 0.000 -14.759 0.000) 14.759 16.687 ( 0.000 9.911 0.000) 9.911 16.886 ( 0.000 -10.012 0.000) 10.012 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 7.540 7.975 0.000) 10.975 1.770 ( 1.941 1.316 0.000) 2.345 1.814 ( -0.133 9.931 0.000) 9.932 1.906 ( -1.611 -1.225 0.000) 2.024 1.974 ( -0.062 5.260 0.000) 5.261 2.081 ( -0.544 -3.566 0.000) 3.607 2.139 ( -2.563 3.746 0.000) 4.539 2.228 ( -1.311 -4.397 0.000) 4.588 2.236 ( 4.648 0.552 0.000) 4.680 2.276 ( -0.463 5.720 0.000) 5.739 2.394 ( 6.050 -13.253 0.000) 14.569 2.425 ( -1.273 -7.673 0.000) 7.778 2.643 ( -3.678 3.839 0.000) 5.317 2.726 ( 0.891 -4.462 0.000) 4.550 2.778 ( -7.567 -0.890 0.000) 7.619 2.857 ( -4.057 -7.956 0.000) 8.930 3.262 ( 0.902 4.580 0.000) 4.668 3.336 ( 0.378 -3.022 0.000) 3.045 3.407 ( 0.839 8.067 0.000) 8.111 3.497 ( -6.691 9.095 0.000) 11.292 3.528 ( -2.586 -3.945 0.000) 4.717 3.537 ( -1.163 6.206 0.000) 6.314 3.649 ( 1.325 -3.407 0.000) 3.656 3.703 ( -1.474 -9.634 0.000) 9.746 3.777 ( 7.525 -1.622 0.000) 7.698 3.814 ( 10.355 -3.991 0.000) 11.097 4.175 ( -7.634 3.796 0.000) 8.525 4.206 ( -4.886 2.370 0.000) 5.431 4.216 ( 1.806 25.199 0.000) 25.264 4.314 ( -7.178 10.812 0.000) 12.978 4.501 ( 5.405 -3.396 0.000) 6.383 4.577 ( 2.032 -11.974 0.000) 12.145 4.724 ( 9.873 1.874 0.000) 10.049 4.764 ( 5.448 -0.636 0.000) 5.485 4.903 ( -1.001 15.570 0.000) 15.602 4.907 ( -1.464 7.016 0.000) 7.167 4.954 ( -3.623 11.194 0.000) 11.766 5.064 ( 4.517 -8.010 0.000) 9.196 5.082 ( -6.367 -4.687 0.000) 7.906 5.237 ( -1.877 -14.645 0.000) 14.765 5.313 ( 6.101 4.733 0.000) 7.721 5.407 ( 6.294 -4.825 0.000) 7.931 5.635 ( -6.477 4.061 0.000) 7.645 5.677 ( -4.649 -0.561 0.000) 4.682 5.977 ( -0.931 14.189 0.000) 14.219 6.025 ( -3.590 11.559 0.000) 12.103 6.120 ( -1.129 0.051 0.000) 1.130 6.156 ( -3.240 -0.602 0.000) 3.296 6.779 ( 0.426 -0.511 0.000) 0.665 6.841 ( -0.991 2.295 0.000) 2.500 6.856 ( 1.620 -7.522 0.000) 7.694 6.944 ( -1.990 -6.701 0.000) 6.990 7.062 ( 1.158 0.998 0.000) 1.529 7.105 ( 4.356 -3.811 0.000) 5.788 7.223 ( -4.583 5.527 0.000) 7.180 7.321 ( -4.453 -4.630 0.000) 6.424 7.982 ( 6.189 13.527 0.000) 14.876 8.121 ( 6.206 2.799 0.000) 6.808 8.269 ( -3.185 6.268 0.000) 7.031 8.334 ( -0.922 -0.225 0.000) 0.949 8.345 ( 1.467 5.903 0.000) 6.082 8.447 ( 5.844 -4.823 0.000) 7.577 8.554 ( -9.013 12.561 0.000) 15.460 8.640 ( 13.437 6.016 0.000) 14.722 8.733 ( -4.476 -5.641 0.000) 7.201 8.779 ( 7.443 -6.765 0.000) 10.058 9.078 ( -2.815 7.989 0.000) 8.470 9.250 ( -8.192 -7.778 0.000) 11.296 9.568 ( 14.566 4.286 0.000) 15.184 9.653 ( 24.987 -3.237 0.000) 25.196 9.916 ( -5.697 16.764 0.000) 17.705 10.139 ( 11.372 3.100 0.000) 11.787 10.169 ( -1.240 -7.349 0.000) 7.453 10.235 ( 7.504 -4.828 0.000) 8.923 10.646 ( -1.116 16.403 0.000) 16.441 10.856 ( -0.365 19.762 0.000) 19.765 10.862 ( 1.035 -4.982 0.000) 5.088 11.033 ( -2.520 1.021 0.000) 2.719 11.206 ( -18.245 14.893 0.000) 23.552 11.414 ( -27.129 1.922 0.000) 27.197 11.531 ( -6.815 9.685 0.000) 11.843 11.591 ( -3.856 9.361 0.000) 10.125 11.820 ( -0.186 -13.370 0.000) 13.371 11.834 ( -2.119 -13.774 0.000) 13.936 12.079 ( 5.165 15.963 0.000) 16.778 12.178 ( 0.138 15.243 0.000) 15.244 12.244 ( 4.031 5.123 0.000) 6.518 12.406 ( -3.294 4.212 0.000) 5.347 12.463 ( 0.614 -11.877 0.000) 11.893 12.505 ( -1.346 -11.444 0.000) 11.522 12.528 ( 1.183 -12.572 0.000) 12.627 12.605 ( -2.059 -10.115 0.000) 10.323 13.779 ( 5.275 10.573 0.000) 11.816 14.028 ( 8.136 -14.102 0.000) 16.281 14.086 ( -7.656 14.384 0.000) 16.295 14.251 ( -1.182 -1.739 0.000) 2.102 14.732 ( 4.209 15.363 0.000) 15.929 14.969 ( -6.035 21.643 0.000) 22.469 15.167 ( 3.645 -25.947 0.000) 26.202 15.326 ( -1.292 -12.908 0.000) 12.973 15.977 ( 7.827 3.370 0.000) 8.521 16.171 ( 11.924 -13.597 0.000) 18.085 16.326 ( -1.841 13.460 0.000) 13.586 16.525 ( -0.077 2.191 0.000) 2.192 16.580 ( -8.267 -1.503 0.000) 8.403 16.608 ( 3.177 -5.928 0.000) 6.726 16.626 ( -2.385 -2.114 0.000) 3.187 16.816 ( -6.392 -10.755 0.000) 12.512 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -1.091 4.971 0.000) 5.089 1.803 ( 1.091 4.971 0.000) 5.089 1.860 ( -3.666 -0.968 0.000) 3.791 1.860 ( 3.666 -0.968 0.000) 3.791 2.032 ( -6.075 5.749 0.000) 8.364 2.032 ( 6.075 5.749 0.000) 8.364 2.140 ( -5.682 -5.070 0.000) 7.615 2.140 ( 5.682 -5.070 0.000) 7.615 2.296 ( -0.147 5.583 0.000) 5.585 2.296 ( 0.147 5.583 0.000) 5.585 2.436 ( -1.699 -5.510 0.000) 5.766 2.436 ( 1.699 -5.510 0.000) 5.766 2.640 ( -4.720 1.810 0.000) 5.055 2.640 ( 4.720 1.810 0.000) 5.055 2.771 ( -3.747 -9.324 0.000) 10.049 2.771 ( 3.747 -9.324 0.000) 10.049 3.337 ( -6.201 4.773 0.000) 7.826 3.337 ( 6.201 4.773 0.000) 7.826 3.380 ( -3.812 -1.521 0.000) 4.105 3.380 ( 3.812 -1.521 0.000) 4.105 3.516 ( -0.712 5.436 0.000) 5.482 3.516 ( 0.712 5.436 0.000) 5.482 3.672 ( -1.175 -8.552 0.000) 8.632 3.672 ( 1.175 -8.552 0.000) 8.632 3.974 ( -10.963 2.496 0.000) 11.244 3.974 ( 10.963 2.496 0.000) 11.244 4.035 ( -11.086 -3.955 0.000) 11.771 4.035 ( 11.086 -3.955 0.000) 11.771 4.249 ( -1.313 25.377 0.000) 25.411 4.249 ( 1.313 25.377 0.000) 25.411 4.590 ( -1.988 -9.452 0.000) 9.659 4.590 ( 1.988 -9.452 0.000) 9.659 4.862 ( -4.197 4.905 0.000) 6.456 4.862 ( 4.197 4.905 0.000) 6.456 4.891 ( -1.335 12.787 0.000) 12.857 4.891 ( 1.335 12.787 0.000) 12.857 4.924 ( -8.531 -1.716 0.000) 8.702 4.924 ( 8.531 -1.716 0.000) 8.702 5.163 ( -5.023 -12.715 0.000) 13.671 5.163 ( 5.023 -12.715 0.000) 13.671 5.474 ( -8.908 4.537 0.000) 9.997 5.474 ( 8.908 4.537 0.000) 9.997 5.551 ( -7.344 -3.545 0.000) 8.155 5.551 ( 7.344 -3.545 0.000) 8.155 5.973 ( -1.048 12.615 0.000) 12.658 5.973 ( 1.048 12.615 0.000) 12.658 6.111 ( -0.772 -0.376 0.000) 0.859 6.111 ( 0.772 -0.376 0.000) 0.859 6.806 ( -2.031 1.441 0.000) 2.491 6.806 ( 2.031 1.441 0.000) 2.491 6.898 ( -2.408 -7.095 0.000) 7.493 6.898 ( 2.408 -7.095 0.000) 7.493 7.123 ( -4.673 4.318 0.000) 6.363 7.123 ( 4.673 4.318 0.000) 6.363 7.213 ( -5.868 -4.972 0.000) 7.691 7.213 ( 5.868 -4.972 0.000) 7.691 8.139 ( -8.532 10.224 0.000) 13.316 8.139 ( 8.532 10.224 0.000) 13.316 8.257 ( -6.310 -1.415 0.000) 6.467 8.257 ( 6.310 -1.415 0.000) 6.467 8.406 ( -4.811 13.340 0.000) 14.181 8.406 ( 4.811 13.340 0.000) 14.181 8.578 ( -6.960 -5.978 0.000) 9.175 8.578 ( 6.960 -5.978 0.000) 9.175 8.972 ( -8.296 0.630 0.000) 8.320 8.972 ( 8.296 0.630 0.000) 8.320 8.997 ( -16.369 -0.214 0.000) 16.370 8.997 ( 16.369 -0.214 0.000) 16.370 9.787 ( -7.481 13.590 0.000) 15.513 9.787 ( 7.481 13.590 0.000) 15.513 10.066 ( -11.154 -13.123 0.000) 17.223 10.066 ( 11.154 -13.123 0.000) 17.223 10.514 ( -18.062 7.881 0.000) 19.707 10.514 ( 18.062 7.881 0.000) 19.707 10.582 ( -28.289 0.901 0.000) 28.303 10.582 ( 28.289 0.901 0.000) 28.303 10.900 ( -7.803 12.287 0.000) 14.555 10.900 ( 7.803 12.287 0.000) 14.555 10.994 ( -2.309 2.744 0.000) 3.587 10.994 ( 2.309 2.744 0.000) 3.587 11.516 ( -2.783 13.234 0.000) 13.524 11.516 ( 2.783 13.234 0.000) 13.524 11.817 ( -0.063 -14.862 0.000) 14.862 11.817 ( 0.063 -14.862 0.000) 14.862 12.162 ( -2.381 14.249 0.000) 14.447 12.162 ( 2.381 14.249 0.000) 14.447 12.321 ( -4.296 6.877 0.000) 8.109 12.321 ( 4.296 6.877 0.000) 8.109 12.483 ( -1.027 -13.124 0.000) 13.164 12.483 ( 1.027 -13.124 0.000) 13.164 12.557 ( -2.149 -12.131 0.000) 12.320 12.557 ( 2.149 -12.131 0.000) 12.320 13.924 ( -8.237 15.225 0.000) 17.311 13.924 ( 8.237 15.225 0.000) 17.311 14.176 ( -5.973 -9.828 0.000) 11.501 14.176 ( 5.973 -9.828 0.000) 11.501 14.841 ( -6.322 19.247 0.000) 20.258 14.841 ( 6.322 19.247 0.000) 20.258 15.257 ( -4.773 -22.163 0.000) 22.671 15.257 ( 4.773 -22.163 0.000) 22.671 16.203 ( -11.324 10.885 0.000) 15.707 16.203 ( 11.324 10.885 0.000) 15.707 16.392 ( -9.306 -3.283 0.000) 9.868 16.392 ( 9.306 -3.283 0.000) 9.868 16.561 ( -3.790 -1.976 0.000) 4.274 16.561 ( 3.790 -1.976 0.000) 4.274 16.686 ( -5.184 -9.834 0.000) 11.117 16.686 ( 5.184 -9.834 0.000) 11.117 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 0.000 0.000 25.501) 25.501 0.622 ( 0.000 0.000 30.374) 30.374 1.028 ( 0.000 0.000 50.358) 50.358 1.571 ( 0.000 0.000 4.355) 4.355 1.655 ( 0.000 0.000 5.019) 5.019 1.747 ( 0.000 0.000 9.574) 9.574 1.996 ( 0.000 0.000 0.971) 0.971 2.078 ( 0.000 0.000 3.822) 3.822 2.199 ( 0.000 0.000 -8.245) 8.245 2.419 ( 0.000 0.000 2.377) 2.377 2.498 ( 0.000 0.000 -8.924) 8.924 2.509 ( 0.000 0.000 -1.823) 1.823 2.555 ( 0.000 0.000 4.639) 4.639 2.749 ( 0.000 0.000 2.423) 2.423 2.826 ( 0.000 0.000 -3.850) 3.850 2.858 ( 0.000 0.000 -3.212) 3.212 2.909 ( 0.000 0.000 -1.761) 1.761 2.935 ( 0.000 0.000 -2.354) 2.354 2.989 ( 0.000 0.000 0.958) 0.958 3.016 ( 0.000 0.000 -5.816) 5.816 3.068 ( 0.000 0.000 1.286) 1.286 3.196 ( 0.000 0.000 -5.766) 5.766 3.274 ( 0.000 0.000 8.076) 8.076 3.449 ( 0.000 0.000 -4.810) 4.810 3.452 ( 0.000 0.000 0.507) 0.507 3.712 ( 0.000 0.000 3.435) 3.435 4.011 ( 0.000 0.000 -2.886) 2.886 4.099 ( 0.000 0.000 -1.124) 1.124 4.125 ( 0.000 0.000 -2.779) 2.779 4.194 ( 0.000 0.000 10.307) 10.307 4.196 ( 0.000 0.000 -5.748) 5.748 4.209 ( 0.000 0.000 1.009) 1.009 4.436 ( 0.000 0.000 7.458) 7.458 4.530 ( 0.000 0.000 -2.657) 2.657 4.533 ( 0.000 0.000 0.416) 0.416 4.552 ( 0.000 0.000 -10.139) 10.139 4.729 ( 0.000 0.000 0.781) 0.781 4.768 ( 0.000 0.000 0.303) 0.303 5.045 ( 0.000 0.000 -1.282) 1.282 5.099 ( 0.000 0.000 -6.957) 6.957 5.144 ( 0.000 0.000 -3.497) 3.497 5.328 ( 0.000 0.000 4.049) 4.049 5.411 ( 0.000 0.000 -6.724) 6.724 5.499 ( 0.000 0.000 2.081) 2.081 5.585 ( 0.000 0.000 -0.163) 0.163 5.657 ( 0.000 0.000 -3.376) 3.376 5.719 ( 0.000 0.000 19.729) 19.729 5.749 ( 0.000 0.000 -1.573) 1.573 5.750 ( 0.000 0.000 4.753) 4.753 6.225 ( 0.000 0.000 9.772) 9.772 6.700 ( 0.000 0.000 -0.045) 0.045 6.877 ( 0.000 0.000 -2.135) 2.135 7.113 ( 0.000 0.000 -2.326) 2.326 7.167 ( 0.000 0.000 -4.013) 4.013 7.257 ( 0.000 0.000 -4.778) 4.778 7.304 ( 0.000 0.000 -4.563) 4.563 7.439 ( 0.000 0.000 6.674) 6.674 7.454 ( 0.000 0.000 -4.322) 4.322 7.739 ( 0.000 0.000 2.654) 2.654 7.809 ( 0.000 0.000 -1.361) 1.361 7.872 ( 0.000 0.000 1.143) 1.143 7.883 ( 0.000 0.000 -9.397) 9.397 8.359 ( 0.000 0.000 5.406) 5.406 8.499 ( 0.000 0.000 7.789) 7.789 8.613 ( 0.000 0.000 -3.086) 3.086 8.636 ( 0.000 0.000 4.827) 4.827 8.811 ( 0.000 0.000 0.911) 0.911 9.076 ( 0.000 0.000 -11.086) 11.086 9.138 ( 0.000 0.000 -0.537) 0.537 9.377 ( 0.000 0.000 -7.419) 7.419 9.466 ( 0.000 0.000 -1.439) 1.439 9.766 ( 0.000 0.000 6.185) 6.185 9.821 ( 0.000 0.000 -6.082) 6.082 9.959 ( 0.000 0.000 1.360) 1.360 9.982 ( 0.000 0.000 -5.141) 5.141 10.007 ( 0.000 0.000 3.996) 3.996 10.196 ( 0.000 0.000 1.699) 1.699 10.221 ( 0.000 0.000 4.251) 4.251 10.905 ( 0.000 0.000 1.969) 1.969 10.926 ( 0.000 0.000 -6.976) 6.976 11.034 ( 0.000 0.000 1.684) 1.684 11.098 ( 0.000 0.000 -19.136) 19.136 11.508 ( 0.000 0.000 -4.104) 4.104 11.660 ( 0.000 0.000 -4.307) 4.307 11.964 ( 0.000 0.000 11.390) 11.390 12.081 ( 0.000 0.000 8.571) 8.571 12.287 ( 0.000 0.000 15.372) 15.372 12.299 ( 0.000 0.000 0.163) 0.163 12.651 ( 0.000 0.000 -3.441) 3.441 12.901 ( 0.000 0.000 1.215) 1.215 13.001 ( 0.000 0.000 -2.556) 2.556 13.290 ( 0.000 0.000 2.231) 2.231 13.371 ( 0.000 0.000 4.007) 4.007 13.617 ( 0.000 0.000 0.595) 0.595 13.619 ( 0.000 0.000 -1.564) 1.564 14.391 ( 0.000 0.000 5.334) 5.334 14.515 ( 0.000 0.000 -5.705) 5.705 14.926 ( 0.000 0.000 -29.526) 29.526 14.939 ( 0.000 0.000 3.231) 3.231 15.598 ( 0.000 0.000 4.518) 4.518 16.116 ( 0.000 0.000 15.411) 15.411 16.302 ( 0.000 0.000 -2.210) 2.210 16.588 ( 0.000 0.000 -3.186) 3.186 16.851 ( 0.000 0.000 -2.374) 2.374 16.907 ( 0.000 0.000 0.538) 0.538 17.239 ( 0.000 0.000 -3.571) 3.571 17.339 ( 0.000 0.000 4.732) 4.732 17.482 ( 0.000 0.000 6.682) 6.682 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 12.126 0.000 19.350) 22.836 0.758 ( 19.416 0.000 18.184) 26.602 1.270 ( -16.619 0.000 7.896) 18.400 1.499 ( 24.860 0.000 28.642) 37.927 1.654 ( -1.817 0.000 13.359) 13.482 1.931 ( 13.344 0.000 0.953) 13.378 1.996 ( 0.183 0.000 -0.698) 0.722 2.078 ( 0.574 0.000 3.836) 3.879 2.189 ( -1.440 0.000 -7.753) 7.886 2.404 ( 0.760 0.000 3.172) 3.262 2.430 ( -2.197 0.000 -4.488) 4.997 2.594 ( 1.552 0.000 -5.487) 5.702 2.597 ( 1.071 0.000 2.781) 2.981 2.674 ( -3.926 0.000 -0.426) 3.949 2.764 ( -4.857 0.000 -2.383) 5.410 2.772 ( -3.297 0.000 -3.447) 4.770 2.869 ( -2.853 0.000 -1.872) 3.412 2.890 ( -3.931 0.000 1.685) 4.277 2.955 ( 1.835 0.000 1.529) 2.389 2.970 ( -3.919 0.000 2.224) 4.506 3.074 ( -1.343 0.000 4.056) 4.273 3.257 ( -3.602 0.000 -0.287) 3.614 3.270 ( 1.023 0.000 4.048) 4.175 3.414 ( -3.509 0.000 0.771) 3.593 3.535 ( 7.269 0.000 -5.684) 9.228 3.604 ( -22.961 0.000 15.330) 27.609 3.711 ( -0.996 0.000 2.328) 2.532 3.955 ( -6.859 0.000 -3.665) 7.776 4.148 ( 0.148 0.000 -1.109) 1.119 4.162 ( 2.969 0.000 -3.171) 4.344 4.182 ( -2.136 0.000 0.535) 2.202 4.207 ( 0.754 0.000 -5.201) 5.255 4.497 ( -0.267 0.000 -1.590) 1.612 4.537 ( 1.535 0.000 -5.993) 6.187 4.589 ( 1.740 0.000 -8.729) 8.900 4.609 ( -4.022 0.000 -0.641) 4.073 4.850 ( 7.611 0.000 0.832) 7.656 4.988 ( 21.772 0.000 4.187) 22.171 5.056 ( -2.117 0.000 -3.570) 4.150 5.102 ( 5.815 0.000 0.109) 5.816 5.151 ( 0.716 0.000 -3.208) 3.287 5.283 ( -7.195 0.000 -2.470) 7.607 5.307 ( -2.030 0.000 2.158) 2.963 5.540 ( -3.707 0.000 -1.534) 4.012 5.571 ( 4.015 0.000 2.771) 4.878 5.694 ( -1.333 0.000 13.743) 13.808 5.713 ( 1.562 0.000 -5.941) 6.143 5.781 ( -0.031 0.000 -3.369) 3.369 5.897 ( 10.369 0.000 5.678) 11.822 6.187 ( -3.483 0.000 7.188) 7.988 6.826 ( 10.938 0.000 1.551) 11.047 6.874 ( 0.246 0.000 -2.111) 2.125 7.012 ( -6.193 0.000 -1.666) 6.413 7.237 ( 3.284 0.000 -3.964) 5.147 7.243 ( -6.383 0.000 -0.562) 6.408 7.266 ( 0.812 0.000 -4.044) 4.125 7.395 ( -1.546 0.000 3.442) 3.773 7.480 ( 2.431 0.000 -3.310) 4.107 7.623 ( -4.799 0.000 3.587) 5.992 7.750 ( -11.876 0.000 -8.060) 14.353 7.858 ( 3.738 0.000 -0.668) 3.797 7.992 ( 1.661 0.000 -11.560) 11.679 8.422 ( 6.002 0.000 6.086) 8.547 8.617 ( 1.242 0.000 0.606) 1.381 8.660 ( 12.838 0.000 4.323) 13.546 8.722 ( 4.458 0.000 0.875) 4.543 8.842 ( 3.047 0.000 -0.760) 3.140 8.981 ( -5.787 0.000 -4.506) 7.334 9.126 ( -3.280 0.000 -1.986) 3.835 9.139 ( -14.648 0.000 6.079) 15.859 9.430 ( -0.782 0.000 0.920) 1.208 9.607 ( -8.289 0.000 -1.168) 8.371 9.757 ( -15.512 0.000 1.849) 15.622 9.762 ( -9.642 0.000 -0.971) 9.691 9.931 ( 13.141 0.000 1.995) 13.291 10.258 ( 15.575 0.000 -4.817) 16.303 10.317 ( 1.069 0.000 2.015) 2.281 10.345 ( 13.918 0.000 -0.742) 13.937 10.780 ( -10.709 0.000 -5.702) 12.133 10.920 ( 1.585 0.000 1.964) 2.524 11.013 ( -1.901 0.000 1.822) 2.633 11.033 ( -10.823 0.000 -13.615) 17.392 11.510 ( 0.374 0.000 -3.591) 3.610 11.601 ( -4.237 0.000 -2.812) 5.085 12.023 ( 1.652 0.000 12.812) 12.918 12.111 ( 0.208 0.000 11.295) 11.297 12.379 ( 6.684 0.000 -0.308) 6.691 12.619 ( -3.291 0.000 -2.367) 4.054 12.690 ( 21.175 0.000 -15.793) 26.415 12.945 ( 3.922 0.000 0.964) 4.039 12.999 ( -0.201 0.000 -3.269) 3.275 13.233 ( -8.593 0.000 3.761) 9.379 13.345 ( 5.150 0.000 1.088) 5.264 13.578 ( -3.996 0.000 -1.356) 4.220 13.813 ( 13.686 0.000 2.964) 14.003 14.315 ( -8.381 0.000 6.256) 10.459 14.512 ( 1.735 0.000 -8.743) 8.913 14.737 ( -8.728 0.000 -17.217) 19.303 15.138 ( 9.798 0.000 -7.210) 12.165 15.477 ( -7.892 0.000 3.859) 8.785 16.231 ( 8.167 0.000 14.305) 16.473 16.379 ( 5.114 0.000 -4.802) 7.015 16.561 ( -2.467 0.000 -2.140) 3.266 16.743 ( -11.396 0.000 6.050) 12.903 16.973 ( 4.154 0.000 -3.149) 5.213 17.064 ( -4.379 0.000 0.645) 4.426 17.382 ( 0.860 0.000 5.246) 5.316 17.431 ( -2.892 0.000 9.668) 10.091 ======================= Grid point 47 (18/60) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -15.666 0.000 12.228) 19.873 0.946 ( 15.666 0.000 12.228) 19.873 1.231 ( -23.727 0.000 8.170) 25.094 1.231 ( 23.727 0.000 8.170) 25.094 1.995 ( -2.344 0.000 1.258) 2.660 1.995 ( 2.344 0.000 1.258) 2.660 2.121 ( -5.810 0.000 -3.956) 7.029 2.121 ( 5.810 0.000 -3.956) 7.029 2.289 ( -19.201 0.000 10.165) 21.726 2.289 ( 19.201 0.000 10.165) 21.726 2.500 ( -7.818 0.000 1.383) 7.940 2.500 ( 7.818 0.000 1.383) 7.940 2.600 ( -5.093 0.000 -2.428) 5.642 2.600 ( 5.093 0.000 -2.428) 5.642 2.768 ( -7.384 0.000 1.650) 7.566 2.768 ( 7.384 0.000 1.650) 7.566 2.799 ( -4.007 0.000 -1.075) 4.149 2.799 ( 4.007 0.000 -1.075) 4.149 2.968 ( -7.714 0.000 6.407) 10.028 2.968 ( 7.714 0.000 6.407) 10.028 3.011 ( -3.705 0.000 4.962) 6.193 3.011 ( 3.705 0.000 4.962) 6.193 3.331 ( -4.283 0.000 0.954) 4.388 3.331 ( 4.283 0.000 0.954) 4.388 3.554 ( -5.177 0.000 -0.014) 5.177 3.554 ( 5.177 0.000 -0.014) 5.177 3.798 ( -8.897 0.000 -2.291) 9.187 3.798 ( 8.897 0.000 -2.291) 9.187 4.148 ( -1.030 0.000 0.392) 1.102 4.148 ( 1.030 0.000 0.392) 1.102 4.208 ( -1.074 0.000 -4.045) 4.185 4.208 ( 1.074 0.000 -4.045) 4.185 4.528 ( -3.319 0.000 -0.918) 3.444 4.528 ( 3.319 0.000 -0.918) 3.444 4.583 ( -2.203 0.000 -8.353) 8.638 4.583 ( 2.203 0.000 -8.353) 8.638 4.973 ( -5.070 0.000 -1.808) 5.383 4.973 ( 5.070 0.000 -1.808) 5.383 5.182 ( -2.876 0.000 -2.102) 3.563 5.182 ( 2.876 0.000 -2.102) 3.563 5.213 ( -6.551 0.000 -0.232) 6.555 5.213 ( 6.551 0.000 -0.232) 6.555 5.395 ( -12.619 0.000 1.388) 12.696 5.395 ( 12.619 0.000 1.388) 12.696 5.648 ( -3.369 0.000 8.090) 8.764 5.648 ( 3.369 0.000 8.090) 8.764 5.742 ( -2.025 0.000 -4.175) 4.640 5.742 ( 2.025 0.000 -4.175) 4.640 6.083 ( -7.311 0.000 4.891) 8.796 6.083 ( 7.311 0.000 4.891) 8.796 6.909 ( -3.574 0.000 -1.605) 3.918 6.909 ( 3.574 0.000 -1.605) 3.918 7.058 ( -11.042 0.000 3.632) 11.624 7.058 ( 11.042 0.000 3.632) 11.624 7.274 ( -0.474 0.000 -3.663) 3.693 7.274 ( 0.474 0.000 -3.663) 3.693 7.492 ( -11.189 0.000 -4.006) 11.884 7.492 ( 11.189 0.000 -4.006) 11.884 7.542 ( -3.556 0.000 -0.635) 3.612 7.542 ( 3.556 0.000 -0.635) 3.612 7.947 ( -4.449 0.000 -5.473) 7.053 7.947 ( 4.449 0.000 -5.473) 7.053 8.565 ( -6.654 0.000 6.033) 8.981 8.565 ( 6.654 0.000 6.033) 8.981 8.813 ( -4.990 0.000 -4.053) 6.428 8.813 ( 4.990 0.000 -4.053) 6.428 8.901 ( -10.818 0.000 3.432) 11.349 8.901 ( 10.818 0.000 3.432) 11.349 9.009 ( -6.879 0.000 0.407) 6.891 9.009 ( 6.879 0.000 0.407) 6.891 9.506 ( -8.594 0.000 0.599) 8.614 9.506 ( 8.594 0.000 0.599) 8.614 9.592 ( -5.638 0.000 -0.869) 5.705 9.592 ( 5.638 0.000 -0.869) 5.705 10.199 ( -11.569 0.000 -0.573) 11.583 10.199 ( 11.569 0.000 -0.573) 11.583 10.531 ( -12.708 0.000 -3.674) 13.229 10.531 ( 12.708 0.000 -3.674) 13.229 10.714 ( -18.987 0.000 -7.791) 20.523 10.714 ( 18.987 0.000 -7.791) 20.523 10.965 ( -2.649 0.000 2.081) 3.368 10.965 ( 2.649 0.000 2.081) 3.368 11.535 ( -2.231 0.000 -2.291) 3.198 11.535 ( 2.231 0.000 -2.291) 3.198 12.075 ( -2.992 0.000 11.479) 11.862 12.075 ( 2.992 0.000 11.479) 11.862 12.519 ( -6.502 0.000 -0.974) 6.574 12.519 ( 6.502 0.000 -0.974) 6.574 12.928 ( -5.632 0.000 -8.739) 10.396 12.928 ( 5.632 0.000 -8.739) 10.396 13.080 ( -6.789 0.000 2.386) 7.196 13.080 ( 6.789 0.000 2.386) 7.196 13.469 ( -6.472 0.000 -0.549) 6.495 13.469 ( 6.472 0.000 -0.549) 6.495 14.088 ( -13.239 0.000 6.178) 14.610 14.088 ( 13.239 0.000 6.178) 14.610 14.591 ( -5.796 0.000 -14.989) 16.070 14.591 ( 5.796 0.000 -14.989) 16.070 15.318 ( -8.277 0.000 -1.804) 8.471 15.318 ( 8.277 0.000 -1.804) 8.471 16.404 ( -6.400 0.000 5.726) 8.588 16.404 ( 6.400 0.000 5.726) 8.588 16.537 ( -3.861 0.000 4.561) 5.976 16.537 ( 3.861 0.000 4.561) 5.976 17.037 ( -1.680 0.000 -5.668) 5.912 17.037 ( 1.680 0.000 -5.668) 5.912 17.392 ( -0.876 0.000 9.137) 9.179 17.392 ( 0.876 0.000 9.137) 9.179 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 0.000 10.951 24.960) 27.257 0.881 ( 0.000 17.814 23.785) 29.716 1.432 ( 0.000 41.261 27.454) 49.560 1.747 ( 0.000 1.381 8.809) 8.917 1.812 ( 0.000 16.606 4.351) 17.166 1.925 ( 0.000 17.758 3.685) 18.136 1.983 ( 0.000 -0.622 0.977) 1.158 2.064 ( 0.000 -0.234 2.454) 2.465 2.285 ( 0.000 7.970 -5.849) 9.885 2.434 ( 0.000 -1.203 -5.599) 5.727 2.455 ( 0.000 -2.500 0.054) 2.501 2.602 ( 0.000 1.673 1.681) 2.372 2.643 ( 0.000 7.921 -1.717) 8.105 2.659 ( 0.000 -7.123 2.216) 7.460 2.832 ( 0.000 -1.658 -2.319) 2.851 2.869 ( 0.000 -0.481 -1.526) 1.600 2.916 ( 0.000 5.406 -3.632) 6.513 2.995 ( 0.000 6.895 2.334) 7.280 3.119 ( 0.000 8.684 -3.156) 9.240 3.139 ( 0.000 10.510 -5.058) 11.663 3.154 ( 0.000 4.448 0.107) 4.449 3.316 ( 0.000 17.677 -6.071) 18.691 3.453 ( 0.000 17.389 7.657) 19.000 3.479 ( 0.000 9.794 -2.595) 10.132 3.643 ( 0.000 17.094 2.696) 17.305 3.726 ( 0.000 -0.689 0.043) 0.691 3.841 ( 0.000 -12.530 3.422) 12.988 3.989 ( 0.000 -1.821 -1.940) 2.660 4.088 ( 0.000 -3.697 -1.863) 4.140 4.161 ( 0.000 -3.829 3.507) 5.192 4.163 ( 0.000 -4.182 -0.480) 4.209 4.352 ( 0.000 -4.217 4.477) 6.150 4.444 ( 0.000 10.902 -4.529) 11.805 4.450 ( 0.000 0.695 3.453) 3.523 4.593 ( 0.000 2.408 -2.966) 3.821 4.684 ( 0.000 2.097 -0.743) 2.225 4.687 ( 0.000 -2.597 0.498) 2.644 4.721 ( 0.000 3.338 0.388) 3.360 5.078 ( 0.000 5.019 -0.113) 5.020 5.139 ( 0.000 4.528 -6.852) 8.213 5.166 ( 0.000 0.245 -0.109) 0.268 5.386 ( 0.000 5.691 3.333) 6.595 5.405 ( 0.000 -0.545 -4.607) 4.639 5.522 ( 0.000 -0.834 3.661) 3.755 5.632 ( 0.000 3.772 1.668) 4.124 5.659 ( 0.000 -3.822 1.289) 4.033 5.738 ( 0.000 8.146 -5.901) 10.059 5.914 ( 0.000 9.545 3.025) 10.013 5.937 ( 0.000 27.460 12.037) 29.982 6.711 ( 0.000 29.803 -13.894) 32.882 6.714 ( 0.000 1.462 -3.792) 4.064 6.897 ( 0.000 0.815 -3.285) 3.385 7.079 ( 0.000 -2.043 -3.304) 3.884 7.152 ( 0.000 -1.426 -4.042) 4.286 7.227 ( 0.000 -2.664 -3.812) 4.651 7.250 ( 0.000 -4.454 -1.329) 4.647 7.421 ( 0.000 -2.212 -3.523) 4.159 7.447 ( 0.000 1.753 11.257) 11.393 7.715 ( 0.000 -0.559 5.627) 5.654 7.895 ( 0.000 4.579 -1.803) 4.921 7.943 ( 0.000 9.672 0.334) 9.677 8.041 ( 0.000 11.057 -15.698) 19.201 8.354 ( 0.000 -0.656 2.516) 2.600 8.537 ( 0.000 1.501 4.898) 5.123 8.714 ( 0.000 8.418 -5.327) 9.962 8.770 ( 0.000 11.817 4.249) 12.557 8.973 ( 0.000 13.748 -1.782) 13.863 9.121 ( 0.000 4.796 -5.227) 7.094 9.191 ( 0.000 2.803 0.371) 2.827 9.380 ( 0.000 3.451 -7.283) 8.059 9.603 ( 0.000 14.035 0.395) 14.040 9.679 ( 0.000 -8.419 -6.777) 10.807 9.849 ( 0.000 4.481 9.046) 10.095 9.854 ( 0.000 -13.020 20.939) 24.657 9.914 ( 0.000 -0.210 1.070) 1.091 10.072 ( 0.000 -1.093 2.659) 2.875 10.163 ( 0.000 9.671 2.381) 9.959 10.300 ( 0.000 9.727 0.730) 9.754 10.689 ( 0.000 -5.107 -3.163) 6.007 10.988 ( 0.000 6.527 -6.818) 9.438 11.119 ( 0.000 8.790 -3.089) 9.317 11.294 ( 0.000 11.682 -6.770) 13.502 11.529 ( 0.000 2.008 -3.042) 3.645 11.671 ( 0.000 1.142 -5.092) 5.219 12.063 ( 0.000 -1.680 7.555) 7.739 12.077 ( 0.000 -2.075 14.704) 14.850 12.092 ( 0.000 8.876 3.907) 9.698 12.610 ( 0.000 -4.413 -2.103) 4.889 12.776 ( 0.000 11.057 -13.605) 17.531 12.850 ( 0.000 -4.996 0.257) 5.003 12.993 ( 0.000 -1.304 -2.894) 3.174 13.191 ( 0.000 -8.292 1.252) 8.386 13.396 ( 0.000 3.205 0.543) 3.250 13.656 ( 0.000 3.514 2.086) 4.086 13.710 ( 0.000 7.636 0.187) 7.639 14.394 ( 0.000 0.101 4.671) 4.672 14.494 ( 0.000 -2.366 -5.611) 6.089 14.907 ( 0.000 -3.424 3.380) 4.811 14.934 ( 0.000 0.886 -28.201) 28.215 15.747 ( 0.000 11.257 -11.317) 15.962 16.108 ( 0.000 -1.617 10.293) 10.419 16.236 ( 0.000 -6.021 2.193) 6.408 16.555 ( 0.000 -3.460 -2.454) 4.242 16.788 ( 0.000 -6.698 -2.865) 7.285 16.838 ( 0.000 -6.724 -0.099) 6.725 17.085 ( 0.000 -11.484 7.046) 13.473 17.316 ( 0.000 -2.357 4.859) 5.400 17.388 ( 0.000 -6.248 9.946) 11.746 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.25 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 17.393 11.843 13.751) 25.137 1.098 ( 12.705 24.093 13.440) 30.373 1.586 ( -11.518 19.355 6.109) 23.336 1.632 ( -3.823 13.624 12.544) 18.910 1.728 ( 14.847 17.150 20.468) 30.553 1.979 ( -0.003 -1.000 -0.327) 1.052 2.043 ( 3.319 -0.165 4.626) 5.696 2.126 ( 6.890 8.701 -0.115) 11.099 2.298 ( 0.078 6.978 -6.589) 9.597 2.377 ( -2.124 -0.951 -3.900) 4.542 2.513 ( 0.214 1.817 0.715) 1.964 2.556 ( 0.225 4.019 -0.106) 4.027 2.612 ( -2.490 -3.909 0.006) 4.634 2.680 ( 1.630 3.033 0.891) 3.557 2.747 ( -4.566 0.849 -2.788) 5.417 2.813 ( -4.320 1.133 -0.315) 4.477 2.856 ( -4.093 -0.704 0.801) 4.230 3.035 ( 1.611 13.276 -2.010) 13.524 3.108 ( -1.576 12.027 -3.847) 12.726 3.160 ( 2.168 5.055 0.751) 5.551 3.187 ( 0.360 15.299 0.885) 15.329 3.356 ( -4.925 11.022 4.036) 12.729 3.388 ( -3.562 12.725 4.654) 14.010 3.509 ( 1.538 7.645 -0.553) 7.818 3.559 ( 0.039 6.741 -0.281) 6.747 3.695 ( -11.233 4.259 2.710) 12.315 3.764 ( -8.333 12.060 9.468) 17.451 3.848 ( -1.147 -5.689 -0.553) 5.830 4.075 ( 0.532 -3.062 -1.752) 3.568 4.109 ( 0.318 -4.598 -1.748) 4.929 4.160 ( 1.224 -2.018 -2.553) 3.476 4.282 ( -0.941 -2.324 -5.280) 5.845 4.398 ( -1.369 -0.856 -1.580) 2.259 4.520 ( -4.579 -2.105 -0.438) 5.059 4.578 ( 3.062 0.080 -5.423) 6.228 4.715 ( -0.967 5.126 -2.934) 5.985 4.846 ( 10.204 -0.453 0.612) 10.232 4.995 ( 19.147 1.079 1.777) 19.260 5.082 ( -0.696 3.340 -2.161) 4.038 5.140 ( 2.037 4.285 -0.730) 4.801 5.162 ( -0.404 0.270 -1.253) 1.344 5.312 ( -4.490 0.256 -0.896) 4.586 5.374 ( -2.369 6.112 1.905) 6.826 5.519 ( -1.759 -0.459 1.059) 2.104 5.593 ( -0.289 3.085 1.930) 3.650 5.714 ( -1.839 4.415 2.283) 5.299 5.743 ( 3.543 0.955 -1.869) 4.118 5.866 ( -1.844 9.589 2.556) 10.094 6.124 ( 13.276 24.895 5.108) 28.672 6.584 ( -8.138 27.549 -8.076) 29.840 6.817 ( 5.707 0.781 -2.263) 6.189 6.895 ( 0.422 0.593 -2.319) 2.431 7.024 ( -2.774 2.010 -0.469) 3.457 7.175 ( -0.755 -4.257 -2.633) 5.062 7.229 ( 0.168 -2.638 -3.497) 4.384 7.244 ( 0.278 -2.386 -1.864) 3.040 7.395 ( -1.933 0.878 5.133) 5.554 7.470 ( 3.157 -0.717 0.411) 3.264 7.623 ( -6.079 1.519 4.512) 7.722 7.817 ( -10.540 5.317 -5.688) 13.104 7.944 ( 1.301 7.659 -2.331) 8.111 8.032 ( -0.830 5.048 -10.503) 11.682 8.462 ( 9.675 2.452 5.392) 11.344 8.615 ( 6.338 0.226 4.336) 7.683 8.708 ( 2.116 6.690 -0.043) 7.016 8.856 ( 1.531 6.672 3.436) 7.659 8.963 ( -0.499 8.139 -4.655) 9.390 9.056 ( -4.439 8.471 -0.932) 9.609 9.186 ( -1.669 5.129 -0.441) 5.412 9.222 ( -6.094 11.464 -0.517) 12.994 9.505 ( -4.796 10.026 4.569) 12.017 9.587 ( -2.355 -0.813 -2.066) 3.237 9.785 ( -10.059 4.021 -2.375) 11.090 9.864 ( -7.924 6.684 3.284) 10.874 9.982 ( 11.769 5.038 -1.171) 12.855 10.234 ( 10.148 -1.631 7.501) 12.724 10.322 ( 11.207 5.502 -4.565) 13.293 10.440 ( 11.453 6.230 0.410) 13.045 10.680 ( -1.716 -8.092 -4.023) 9.198 10.936 ( -5.092 3.092 -7.557) 9.623 11.078 ( -3.989 8.291 -1.835) 9.382 11.189 ( -8.076 11.323 -1.770) 14.020 11.536 ( 0.595 2.744 -3.391) 4.403 11.617 ( -3.915 1.951 -3.783) 5.783 12.038 ( 0.274 0.751 9.303) 9.337 12.102 ( 0.166 -1.177 12.047) 12.105 12.224 ( 9.708 -3.963 0.824) 10.518 12.556 ( -5.036 -6.051 -1.205) 7.965 12.852 ( 5.615 3.765 -10.645) 12.610 12.909 ( 5.296 -3.944 -0.528) 6.624 12.990 ( -0.481 -0.907 -4.006) 4.136 13.168 ( -4.633 -6.203 1.086) 7.818 13.354 ( 1.121 2.715 0.524) 2.984 13.585 ( -5.349 1.074 -0.610) 5.490 13.864 ( 10.947 4.705 5.236) 13.015 14.300 ( -8.413 -1.082 6.525) 10.702 14.521 ( 2.550 -0.078 -8.669) 9.037 14.731 ( -8.096 -0.914 -14.033) 16.227 15.141 ( 11.091 0.463 -9.127) 14.372 15.577 ( -11.366 8.476 -4.950) 15.018 16.228 ( 7.917 -0.727 10.376) 13.072 16.301 ( 4.969 -7.564 -2.174) 9.308 16.511 ( -3.424 -5.170 -1.125) 6.302 16.707 ( -9.922 -3.279 6.683) 12.404 16.895 ( 4.748 -7.911 -3.957) 10.039 17.003 ( -1.919 -5.337 1.306) 5.820 17.340 ( 0.615 -4.066 6.038) 7.306 17.369 ( -1.543 -5.388 10.265) 11.695 ======================= Grid point 52 (21/60) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -16.798 10.880 7.388) 21.334 1.287 ( 16.798 10.880 7.388) 21.334 1.355 ( -9.797 23.893 7.898) 27.004 1.355 ( 9.797 23.893 7.898) 27.004 1.978 ( -1.444 -0.437 0.994) 1.807 1.978 ( 1.444 -0.437 0.994) 1.807 2.243 ( -4.788 5.966 -2.637) 8.092 2.243 ( 4.788 5.966 -2.637) 8.092 2.261 ( -11.395 0.737 5.963) 12.882 2.261 ( 11.395 0.737 5.963) 12.882 2.555 ( -4.246 3.918 -1.621) 6.001 2.555 ( 4.246 3.918 -1.621) 6.001 2.633 ( -6.391 7.415 -0.451) 9.799 2.633 ( 6.391 7.415 -0.451) 9.799 2.738 ( -6.151 -0.464 2.781) 6.767 2.738 ( 6.151 -0.464 2.781) 6.767 2.879 ( -12.423 -2.820 8.319) 15.214 2.879 ( 12.423 -2.820 8.319) 15.214 3.080 ( -0.641 14.342 -3.091) 14.686 3.080 ( 0.641 14.342 -3.091) 14.686 3.264 ( -5.180 19.601 4.080) 20.681 3.264 ( 5.180 19.601 4.080) 20.681 3.433 ( -9.606 9.314 4.314) 14.058 3.433 ( 9.606 9.314 4.314) 14.058 3.587 ( -1.380 6.291 -2.993) 7.102 3.587 ( 1.380 6.291 -2.993) 7.102 3.776 ( -4.611 0.235 0.585) 4.654 3.776 ( 4.611 0.235 0.585) 4.654 4.097 ( -0.935 -3.903 -0.914) 4.116 4.097 ( 0.935 -3.903 -0.914) 4.116 4.220 ( -3.991 0.967 -3.921) 5.677 4.220 ( 3.991 0.967 -3.921) 5.677 4.439 ( -3.982 -5.918 -2.396) 7.525 4.439 ( 3.982 -5.918 -2.396) 7.525 4.654 ( -4.132 3.911 -4.126) 7.028 4.654 ( 4.132 3.911 -4.126) 7.028 4.999 ( -5.350 2.421 -2.521) 6.391 4.999 ( 5.350 2.421 -2.521) 6.391 5.157 ( -0.617 -1.286 0.249) 1.448 5.157 ( 0.617 -1.286 0.249) 1.448 5.283 ( -3.940 2.768 -0.995) 4.917 5.283 ( 3.940 2.768 -0.995) 4.917 5.388 ( -9.465 2.087 2.762) 10.078 5.388 ( 9.465 2.087 2.762) 10.078 5.648 ( -3.905 2.905 2.548) 5.494 5.648 ( 3.905 2.905 2.548) 5.494 5.813 ( -3.250 5.351 0.265) 6.266 5.813 ( 3.250 5.351 0.265) 6.266 6.390 ( -11.874 27.576 -1.245) 30.049 6.390 ( 11.874 27.576 -1.245) 30.049 6.880 ( -2.162 -2.391 -2.728) 4.223 6.880 ( 2.162 -2.391 -2.728) 4.223 7.079 ( -6.594 1.557 4.083) 7.910 7.079 ( 6.594 1.557 4.083) 7.910 7.244 ( -0.489 -3.005 -3.323) 4.507 7.244 ( 0.489 -3.005 -3.323) 4.507 7.457 ( -6.691 -1.151 -0.870) 6.845 7.457 ( 6.691 -1.151 -0.870) 6.845 7.604 ( -7.502 4.790 -0.685) 8.927 7.604 ( 7.502 4.790 -0.685) 8.927 7.988 ( -2.898 4.559 -5.502) 7.711 7.988 ( 2.898 4.559 -5.502) 7.711 8.659 ( -7.184 7.645 4.689) 11.491 8.659 ( 7.184 7.645 4.689) 11.491 8.770 ( -6.788 -2.480 5.274) 8.947 8.770 ( 6.788 -2.480 5.274) 8.947 8.998 ( -2.590 7.553 -4.721) 9.276 8.998 ( 2.590 7.553 -4.721) 9.276 9.154 ( -1.660 12.551 -1.067) 12.705 9.154 ( 1.660 12.551 -1.067) 12.705 9.553 ( -9.185 7.267 0.871) 11.745 9.553 ( 9.185 7.267 0.871) 11.745 9.674 ( -8.876 8.143 0.560) 12.058 9.674 ( 8.876 8.143 0.560) 12.058 10.224 ( -9.116 2.769 -1.629) 9.666 10.224 ( 9.116 2.769 -1.629) 9.666 10.564 ( -8.989 2.732 -3.032) 9.872 10.564 ( 8.989 2.732 -3.032) 9.872 10.716 ( -15.643 0.947 -6.017) 16.787 10.716 ( 15.643 0.947 -6.017) 16.787 11.067 ( -3.997 8.790 1.308) 9.745 11.067 ( 3.997 8.790 1.308) 9.745 11.557 ( -1.836 2.531 -3.056) 4.372 11.557 ( 1.836 2.531 -3.056) 4.372 12.072 ( -2.417 -0.358 9.409) 9.721 12.072 ( 2.417 -0.358 9.409) 9.721 12.416 ( -8.739 -7.970 0.003) 11.828 12.416 ( 8.739 -7.970 0.003) 11.828 12.951 ( -3.359 -0.667 -6.754) 7.572 12.951 ( 3.359 -0.667 -6.754) 7.572 13.036 ( -6.754 -3.269 0.805) 7.546 13.036 ( 6.754 -3.269 0.805) 7.546 13.455 ( -6.977 -0.433 -0.496) 7.008 13.455 ( 6.977 -0.433 -0.496) 7.008 14.094 ( -11.470 0.998 7.381) 13.676 14.094 ( 11.470 0.998 7.381) 13.676 14.598 ( -5.241 0.102 -12.930) 13.953 14.598 ( 5.241 0.102 -12.930) 13.953 15.359 ( -10.686 3.898 -5.222) 12.516 15.359 ( 10.686 3.898 -5.222) 12.516 16.361 ( -2.152 -5.502 0.316) 5.916 16.361 ( 2.152 -5.502 0.316) 5.916 16.499 ( -6.514 -2.688 9.589) 11.900 16.499 ( 6.514 -2.688 9.589) 11.900 16.979 ( -2.572 -5.724 -5.759) 8.517 16.979 ( 2.572 -5.724 -5.759) 8.517 17.345 ( -0.527 -4.612 9.597) 10.661 17.345 ( 0.527 -4.612 9.597) 10.661 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 0.000 16.848 16.156) 23.343 1.211 ( 0.000 17.985 18.261) 25.630 1.762 ( 0.000 1.513 6.394) 6.571 1.938 ( 0.000 0.200 2.186) 2.195 1.983 ( 0.000 -0.417 3.118) 3.146 2.092 ( 0.000 2.730 0.807) 2.847 2.123 ( 0.000 4.011 -1.316) 4.222 2.268 ( 0.000 32.007 9.457) 33.375 2.311 ( 0.000 -4.073 1.412) 4.311 2.431 ( 0.000 -2.354 0.772) 2.477 2.501 ( 0.000 -5.673 0.725) 5.719 2.587 ( 0.000 5.187 -1.944) 5.539 2.668 ( 0.000 10.972 2.017) 11.156 2.810 ( 0.000 9.650 -5.543) 11.129 2.822 ( 0.000 -0.527 3.187) 3.230 2.864 ( 0.000 11.626 -0.909) 11.662 2.984 ( 0.000 -4.672 -3.097) 5.605 3.126 ( 0.000 5.507 -1.657) 5.751 3.168 ( 0.000 -1.438 0.313) 1.472 3.235 ( 0.000 7.263 1.276) 7.375 3.293 ( 0.000 7.564 -4.052) 8.581 3.471 ( 0.000 -16.532 -1.947) 16.646 3.635 ( 0.000 6.155 -0.608) 6.185 3.794 ( 0.000 8.537 -2.022) 8.773 3.878 ( 0.000 16.470 0.622) 16.482 3.906 ( 0.000 -1.959 -0.345) 1.989 3.921 ( 0.000 11.767 5.206) 12.867 4.018 ( 0.000 4.850 2.026) 5.256 4.049 ( 0.000 6.464 1.790) 6.707 4.083 ( 0.000 4.060 -2.216) 4.625 4.126 ( 0.000 11.466 -1.411) 11.553 4.387 ( 0.000 9.295 8.839) 12.827 4.417 ( 0.000 -2.986 -0.112) 2.988 4.548 ( 0.000 -0.887 -0.730) 1.148 4.659 ( 0.000 0.207 0.078) 0.221 4.726 ( 0.000 3.067 -2.004) 3.663 4.735 ( 0.000 9.737 -0.475) 9.748 4.834 ( 0.000 7.856 -0.496) 7.871 5.169 ( 0.000 1.179 0.001) 1.179 5.244 ( 0.000 12.076 0.915) 12.110 5.267 ( 0.000 6.789 -5.158) 8.526 5.397 ( 0.000 0.826 -5.382) 5.445 5.460 ( 0.000 -5.002 5.786) 7.649 5.523 ( 0.000 8.610 4.865) 9.890 5.623 ( 0.000 1.082 5.004) 5.119 5.718 ( 0.000 5.497 0.987) 5.585 5.915 ( 0.000 8.719 -4.716) 9.912 6.059 ( 0.000 4.847 1.616) 5.109 6.658 ( 0.000 37.754 -1.885) 37.801 6.732 ( 0.000 -0.340 -12.770) 12.775 6.861 ( 0.000 -3.974 -6.371) 7.509 7.068 ( 0.000 1.482 -5.858) 6.043 7.090 ( 0.000 2.351 -0.473) 2.398 7.156 ( 0.000 2.359 -5.587) 6.064 7.166 ( 0.000 -3.493 1.248) 3.709 7.202 ( 0.000 5.324 -2.749) 5.992 7.404 ( 0.000 2.138 -3.143) 3.801 7.554 ( 0.000 9.962 17.376) 20.029 7.789 ( 0.000 10.606 3.579) 11.194 8.007 ( 0.000 7.414 0.144) 7.416 8.158 ( 0.000 11.283 0.032) 11.283 8.242 ( 0.000 9.158 -11.754) 14.900 8.347 ( 0.000 0.614 1.667) 1.776 8.544 ( 0.000 0.335 0.153) 0.368 8.839 ( 0.000 3.372 -9.180) 9.779 8.973 ( 0.000 6.603 4.805) 8.166 9.011 ( 0.000 -7.129 -3.696) 8.030 9.240 ( 0.000 3.619 8.461) 9.202 9.358 ( 0.000 11.043 -1.976) 11.218 9.529 ( 0.000 -2.869 -7.059) 7.620 9.607 ( 0.000 -0.568 23.979) 23.986 9.673 ( 0.000 23.973 -2.911) 24.149 9.931 ( 0.000 6.436 3.905) 7.528 10.008 ( 0.000 9.721 4.936) 10.903 10.062 ( 0.000 -1.812 -4.112) 4.493 10.161 ( 0.000 31.942 2.016) 32.006 10.339 ( 0.000 8.489 5.688) 10.219 10.545 ( 0.000 15.002 -1.239) 15.053 10.700 ( 0.000 5.212 -6.076) 8.005 11.173 ( 0.000 12.318 -6.231) 13.804 11.287 ( 0.000 7.899 -4.700) 9.191 11.566 ( 0.000 15.184 -3.139) 15.505 11.579 ( 0.000 3.065 -0.883) 3.190 11.710 ( 0.000 3.143 -7.060) 7.728 12.027 ( 0.000 -1.750 4.509) 4.836 12.097 ( 0.000 2.884 9.337) 9.772 12.245 ( 0.000 5.969 1.661) 6.196 12.470 ( 0.000 -10.331 0.619) 10.349 12.737 ( 0.000 -5.793 -1.716) 6.042 12.784 ( 0.000 -6.033 -9.663) 11.392 12.911 ( 0.000 -7.367 -2.588) 7.808 13.012 ( 0.000 -10.076 0.496) 10.088 13.493 ( 0.000 6.322 -3.139) 7.059 13.754 ( 0.000 7.212 8.989) 11.525 13.864 ( 0.000 7.916 -2.429) 8.280 14.408 ( 0.000 -7.116 -5.065) 8.734 14.424 ( 0.000 4.326 4.105) 5.964 14.820 ( 0.000 -4.842 4.958) 6.930 14.967 ( 0.000 2.865 -23.939) 24.110 15.943 ( 0.000 8.682 -18.935) 20.830 15.958 ( 0.000 -14.376 -4.551) 15.079 16.169 ( 0.000 -0.747 12.681) 12.703 16.455 ( 0.000 -6.634 2.109) 6.961 16.576 ( 0.000 -14.929 -4.887) 15.709 16.677 ( 0.000 -9.026 -2.388) 9.337 16.931 ( 0.000 -4.291 12.281) 13.009 17.248 ( 0.000 -8.706 9.672) 13.013 17.249 ( 0.000 -4.585 5.434) 7.110 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 14.182 17.096 8.288) 23.708 1.404 ( 15.427 12.536 15.313) 25.093 1.715 ( -5.786 4.466 7.095) 10.186 1.895 ( -5.558 4.548 2.204) 7.512 1.975 ( -0.470 -0.235 1.684) 1.764 2.019 ( -3.646 4.495 1.379) 5.950 2.164 ( 2.191 -1.172 -1.556) 2.932 2.274 ( -1.823 -2.890 -1.267) 3.644 2.311 ( 2.014 17.434 7.163) 18.955 2.398 ( -6.338 -4.224 -2.583) 8.043 2.550 ( 5.298 -1.269 1.697) 5.706 2.563 ( 3.945 3.653 2.681) 6.008 2.713 ( 3.361 6.759 1.323) 7.663 2.785 ( -2.804 3.311 4.243) 6.068 2.816 ( 0.286 9.015 -3.830) 9.799 2.834 ( -1.751 13.572 -2.723) 13.953 2.945 ( -1.912 7.229 0.985) 7.542 3.132 ( -4.131 0.270 0.146) 4.143 3.197 ( 0.552 0.303 1.154) 1.315 3.283 ( 7.140 6.377 -0.789) 9.606 3.342 ( -1.370 -2.391 -1.864) 3.327 3.443 ( 0.213 2.103 1.010) 2.342 3.602 ( -0.417 2.912 -1.284) 3.209 3.691 ( -13.371 3.296 3.257) 14.151 3.762 ( -5.143 4.544 2.819) 7.419 3.848 ( -4.399 18.226 3.048) 18.996 3.937 ( 2.445 7.016 -1.250) 7.534 4.016 ( -0.740 -3.234 -0.290) 3.330 4.033 ( 3.802 5.880 3.059) 7.641 4.137 ( 3.137 6.441 -3.894) 8.155 4.188 ( 1.125 13.410 -2.072) 13.616 4.302 ( -3.308 14.131 0.539) 14.523 4.412 ( -2.979 0.793 -0.419) 3.111 4.486 ( -4.329 2.726 1.708) 5.394 4.636 ( 1.685 4.887 -4.612) 6.927 4.773 ( -1.022 1.186 -0.473) 1.635 4.831 ( 11.161 -0.844 1.070) 11.244 5.051 ( 13.046 4.719 -2.926) 14.179 5.152 ( -1.500 0.625 2.042) 2.610 5.186 ( -4.146 3.613 -2.838) 6.188 5.260 ( -5.121 6.284 0.834) 8.149 5.312 ( 2.747 5.069 0.790) 5.820 5.486 ( -1.521 4.577 3.698) 6.077 5.578 ( 0.235 7.278 2.700) 7.767 5.691 ( 0.894 6.263 1.739) 6.561 5.707 ( 6.818 -2.703 1.969) 7.594 5.876 ( -3.577 8.887 -2.459) 9.890 6.009 ( -4.532 4.520 0.774) 6.448 6.738 ( 4.676 21.294 -5.394) 22.459 6.752 ( 1.236 -1.102 -12.498) 12.607 6.858 ( 2.551 6.402 -4.441) 8.198 7.070 ( -0.076 1.364 1.561) 2.075 7.113 ( -0.023 -1.218 -1.662) 2.061 7.121 ( -1.208 12.257 -6.989) 14.161 7.159 ( -0.242 -4.102 -1.432) 4.352 7.212 ( 0.198 3.681 -2.212) 4.299 7.427 ( 1.259 3.736 1.722) 4.302 7.521 ( 0.624 8.533 8.489) 12.052 7.750 ( -5.081 13.632 8.117) 16.659 7.934 ( -7.843 7.268 -4.020) 11.423 8.114 ( -1.900 9.465 -3.615) 10.308 8.169 ( -4.992 7.819 -6.502) 11.328 8.510 ( 13.875 3.380 4.891) 15.095 8.617 ( 5.944 -0.884 2.090) 6.363 8.798 ( -2.758 1.393 1.321) 3.360 8.934 ( -2.793 -0.101 -0.998) 2.968 9.017 ( 2.288 2.143 -1.397) 3.432 9.205 ( -7.103 4.487 2.191) 8.682 9.392 ( 3.344 12.825 -1.345) 13.322 9.522 ( -3.907 10.933 -1.617) 11.722 9.665 ( 9.984 14.014 3.170) 17.496 9.809 ( -2.883 16.672 5.226) 17.708 9.892 ( -1.850 9.009 -1.413) 9.305 9.977 ( 9.364 9.211 4.189) 13.787 10.121 ( 4.513 7.992 2.243) 9.448 10.298 ( 8.883 4.654 -1.859) 10.199 10.467 ( 9.770 10.256 2.718) 14.423 10.564 ( 1.652 9.386 -0.057) 9.531 10.651 ( -1.411 7.428 -5.569) 9.390 11.017 ( -12.903 4.756 -7.949) 15.883 11.260 ( -3.442 10.128 1.447) 10.794 11.424 ( -10.416 10.914 -1.068) 15.124 11.613 ( 1.250 5.118 -3.302) 6.217 11.688 ( -1.952 5.838 -5.521) 8.269 12.038 ( 0.865 -0.276 3.116) 3.245 12.090 ( -0.895 0.415 7.772) 7.835 12.244 ( 0.593 2.618 -0.099) 2.686 12.404 ( -5.500 -9.210 0.742) 10.753 12.788 ( 3.699 -7.383 -1.431) 8.381 12.820 ( 2.634 -6.181 -7.501) 10.070 12.918 ( 1.073 -6.358 -2.383) 6.874 13.017 ( -0.263 -9.372 0.307) 9.380 13.460 ( -1.638 7.160 -2.853) 7.880 13.628 ( -8.183 3.814 1.565) 9.163 13.988 ( 8.126 8.095 5.095) 12.550 14.298 ( -6.763 0.829 4.617) 8.231 14.498 ( 3.694 -1.249 -5.365) 6.633 14.696 ( -6.837 -2.375 -6.817) 9.943 15.167 ( 13.721 2.552 -12.046) 18.436 15.725 ( -12.957 4.803 -11.344) 17.879 16.083 ( 4.973 -11.613 -7.163) 14.522 16.210 ( 1.821 -5.154 5.289) 7.606 16.389 ( -1.577 -5.195 6.174) 8.221 16.624 ( -5.938 -6.183 3.590) 9.294 16.699 ( 8.068 -10.873 -5.048) 14.450 16.895 ( -2.111 -5.133 4.572) 7.191 17.234 ( -0.878 -7.843 10.293) 12.971 17.247 ( -0.750 -6.339 7.531) 9.872 ======================= Grid point 57 (24/60) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -15.935 12.043 6.352) 20.960 1.488 ( 15.935 12.043 6.352) 20.960 1.704 ( -12.746 10.049 6.182) 17.368 1.704 ( 12.746 10.049 6.182) 17.368 1.979 ( -0.945 0.256 1.104) 1.476 1.979 ( 0.945 0.256 1.104) 1.476 2.227 ( -4.078 -3.459 -2.352) 5.842 2.227 ( 4.078 -3.459 -2.352) 5.842 2.306 ( -0.273 -0.495 -2.529) 2.591 2.306 ( 0.273 -0.495 -2.529) 2.591 2.664 ( -5.178 -3.811 3.284) 7.219 2.664 ( 5.178 -3.811 3.284) 7.219 2.775 ( -7.565 3.102 4.045) 9.122 2.775 ( 7.565 3.102 4.045) 9.122 2.812 ( -1.543 10.713 -1.165) 10.886 2.812 ( 1.543 10.713 -1.165) 10.886 2.950 ( -8.389 19.602 5.685) 22.066 2.950 ( 8.389 19.602 5.685) 22.066 3.226 ( -2.888 2.708 2.338) 4.598 3.226 ( 2.888 2.708 2.338) 4.598 3.427 ( -8.025 0.830 -1.121) 8.146 3.427 ( 8.025 0.830 -1.121) 8.146 3.600 ( -4.920 -3.046 -0.805) 5.842 3.600 ( 4.920 -3.046 -0.805) 5.842 3.733 ( -5.412 13.549 2.286) 14.768 3.733 ( 5.412 13.549 2.286) 14.768 3.986 ( -2.037 1.098 0.096) 2.316 3.986 ( 2.037 1.098 0.096) 2.316 4.116 ( -4.163 17.927 0.169) 18.405 4.116 ( 4.163 17.927 0.169) 18.405 4.247 ( -5.069 -1.451 -4.178) 6.727 4.247 ( 5.069 -1.451 -4.178) 6.727 4.402 ( -3.590 9.630 0.195) 10.279 4.402 ( 3.590 9.630 0.195) 10.279 4.713 ( -4.502 2.386 -2.444) 5.651 4.713 ( 4.502 2.386 -2.444) 5.651 5.036 ( -8.445 -0.274 -2.010) 8.685 5.036 ( 8.445 -0.274 -2.010) 8.685 5.150 ( -2.499 2.415 1.803) 3.915 5.150 ( 2.499 2.415 1.803) 3.915 5.317 ( -5.666 2.781 -1.265) 6.437 5.317 ( 5.666 2.781 -1.265) 6.437 5.496 ( -4.520 7.774 4.339) 9.985 5.496 ( 4.520 7.774 4.339) 9.985 5.758 ( -4.409 5.982 2.664) 7.894 5.758 ( 4.409 5.982 2.664) 7.894 5.890 ( -6.743 3.096 -1.087) 7.499 5.890 ( 6.743 3.096 -1.087) 7.499 6.763 ( -0.283 -0.787 -9.847) 9.883 6.763 ( 0.283 -0.787 -9.847) 9.883 6.996 ( -7.225 15.611 -4.428) 17.762 6.996 ( 7.225 15.611 -4.428) 17.762 7.114 ( -1.197 1.837 1.763) 2.814 7.114 ( 1.197 1.837 1.763) 2.814 7.182 ( -2.361 0.620 -2.203) 3.288 7.182 ( 2.361 0.620 -2.203) 3.288 7.500 ( -5.731 8.728 3.184) 10.916 7.500 ( 5.731 8.728 3.184) 10.916 7.742 ( -7.932 10.610 2.751) 13.530 7.742 ( 7.932 10.610 2.751) 13.530 8.108 ( -1.332 7.096 -4.840) 8.693 8.108 ( 1.332 7.096 -4.840) 8.693 8.712 ( -4.239 -1.981 2.727) 5.415 8.712 ( 4.239 -1.981 2.727) 5.415 8.825 ( -11.086 7.216 4.120) 13.855 8.825 ( 11.086 7.216 4.120) 13.855 9.068 ( -4.189 -0.030 -1.035) 4.315 9.068 ( 4.189 -0.030 -1.035) 4.315 9.439 ( -2.684 14.540 -0.159) 14.787 9.439 ( 2.684 14.540 -0.159) 14.787 9.810 ( -4.908 17.644 -1.139) 18.349 9.810 ( 4.908 17.644 -1.139) 18.349 9.923 ( -10.416 17.969 3.642) 21.087 9.923 ( 10.416 17.969 3.642) 21.087 10.316 ( -7.932 7.047 -4.315) 11.455 10.316 ( 7.932 7.047 -4.315) 11.455 10.598 ( -5.139 -0.001 -2.435) 5.687 10.598 ( 5.139 -0.001 -2.435) 5.687 10.770 ( -10.522 4.813 -1.404) 11.655 10.770 ( 10.522 4.813 -1.404) 11.655 11.234 ( -4.784 7.745 1.644) 9.251 11.234 ( 4.784 7.745 1.644) 9.251 11.645 ( -2.027 6.795 -4.018) 8.150 11.645 ( 2.027 6.795 -4.018) 8.150 12.061 ( -1.549 -0.521 3.498) 3.861 12.061 ( 1.549 -0.521 3.498) 3.861 12.295 ( -4.519 -4.162 0.570) 6.170 12.295 ( 4.519 -4.162 0.570) 6.170 12.839 ( -1.116 -9.143 -4.003) 10.044 12.839 ( 1.116 -9.143 -4.003) 10.044 12.975 ( -3.730 -5.155 -0.576) 6.389 12.975 ( 3.730 -5.155 -0.576) 6.389 13.488 ( -4.804 4.234 -1.483) 6.573 13.488 ( 4.804 4.234 -1.483) 6.573 14.151 ( -7.885 5.226 6.933) 11.728 14.151 ( 7.885 5.226 6.933) 11.728 14.580 ( -4.824 -1.564 -8.084) 9.543 14.580 ( 4.824 -1.564 -8.084) 9.543 15.451 ( -14.202 5.088 -10.035) 18.118 15.451 ( 14.202 5.088 -10.035) 18.118 16.174 ( -4.090 -13.042 -3.801) 14.187 16.174 ( 4.090 -13.042 -3.801) 14.187 16.469 ( -7.811 -0.764 10.850) 13.391 16.469 ( 7.811 -0.764 10.850) 13.391 16.836 ( -4.880 -8.528 -4.530) 10.820 16.836 ( 4.880 -8.528 -4.530) 10.820 17.228 ( -0.576 -7.301 10.486) 12.791 17.228 ( 0.576 -7.301 10.486) 12.791 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 0.000 18.369 8.615) 20.288 1.563 ( 0.000 17.695 9.980) 20.315 1.783 ( 0.000 0.728 4.527) 4.585 1.939 ( 0.000 0.283 1.769) 1.791 1.979 ( 0.000 0.696 3.858) 3.920 2.126 ( 0.000 1.675 0.300) 1.702 2.146 ( 0.000 -1.299 -0.248) 1.323 2.268 ( 0.000 0.185 2.870) 2.876 2.319 ( 0.000 -4.657 0.876) 4.738 2.326 ( 0.000 -6.659 1.131) 6.755 2.589 ( 0.000 -3.581 -0.447) 3.609 2.596 ( 0.000 -2.397 2.137) 3.211 2.705 ( 0.000 -0.541 3.715) 3.754 2.782 ( 0.000 -9.354 -1.683) 9.504 2.985 ( 0.000 1.739 1.216) 2.122 3.013 ( 0.000 -0.703 -2.966) 3.048 3.089 ( 0.000 6.858 -1.468) 7.014 3.216 ( 0.000 -3.762 -2.464) 4.497 3.233 ( 0.000 7.198 -1.339) 7.321 3.295 ( 0.000 15.268 2.371) 15.451 3.435 ( 0.000 6.604 -0.909) 6.666 3.503 ( 0.000 20.823 2.936) 21.029 3.660 ( 0.000 -2.232 -3.056) 3.784 3.734 ( 0.000 -5.773 -3.820) 6.922 3.811 ( 0.000 -5.701 1.225) 5.831 3.820 ( 0.000 -5.287 2.052) 5.671 3.942 ( 0.000 -1.498 0.233) 1.516 4.247 ( 0.000 10.365 -3.291) 10.875 4.250 ( 0.000 7.727 5.683) 9.592 4.278 ( 0.000 7.195 1.935) 7.451 4.386 ( 0.000 3.124 -0.189) 3.130 4.511 ( 0.000 0.120 1.024) 1.031 4.548 ( 0.000 19.771 0.882) 19.790 4.666 ( 0.000 1.831 -1.326) 2.261 4.682 ( 0.000 12.782 -0.704) 12.801 4.749 ( 0.000 2.793 4.711) 5.477 4.881 ( 0.000 4.062 -0.734) 4.127 4.961 ( 0.000 2.832 -3.310) 4.356 5.199 ( 0.000 1.878 0.888) 2.077 5.318 ( 0.000 1.658 -5.072) 5.336 5.329 ( 0.000 -6.653 4.989) 8.316 5.457 ( 0.000 -0.967 2.024) 2.243 5.544 ( 0.000 14.010 -1.885) 14.136 5.679 ( 0.000 3.536 2.963) 4.613 5.735 ( 0.000 13.697 7.081) 15.419 5.863 ( 0.000 10.607 1.172) 10.672 6.059 ( 0.000 6.666 -1.117) 6.759 6.130 ( 0.000 4.591 0.615) 4.632 6.708 ( 0.000 -1.415 -15.146) 15.212 6.779 ( 0.000 -3.982 -6.272) 7.429 6.903 ( 0.000 -4.740 -7.236) 8.651 7.026 ( 0.000 -3.564 -4.039) 5.387 7.079 ( 0.000 -2.444 3.284) 4.094 7.139 ( 0.000 -4.710 -1.526) 4.951 7.179 ( 0.000 3.471 -2.611) 4.343 7.339 ( 0.000 0.714 -9.085) 9.113 7.727 ( 0.000 29.344 6.718) 30.103 7.794 ( 0.000 13.318 13.797) 19.176 8.059 ( 0.000 12.346 -5.029) 13.331 8.152 ( 0.000 6.411 0.921) 6.477 8.340 ( 0.000 2.738 1.276) 3.021 8.360 ( 0.000 9.616 5.340) 10.999 8.441 ( 0.000 8.760 -3.082) 9.286 8.592 ( 0.000 4.750 -1.682) 5.038 8.815 ( 0.000 -7.137 -3.169) 7.809 8.882 ( 0.000 -3.301 -5.267) 6.216 9.038 ( 0.000 2.509 5.411) 5.964 9.290 ( 0.000 1.648 14.794) 14.886 9.343 ( 0.000 -4.546 -9.876) 10.872 9.519 ( 0.000 -4.029 1.871) 4.442 9.791 ( 0.000 16.884 13.912) 21.877 10.011 ( 0.000 -2.125 -1.765) 2.763 10.081 ( 0.000 5.303 -1.295) 5.458 10.169 ( 0.000 21.506 -0.152) 21.506 10.320 ( 0.000 21.156 3.901) 21.512 10.520 ( 0.000 12.956 9.565) 16.105 10.722 ( 0.000 17.033 -2.213) 17.176 10.857 ( 0.000 10.740 -6.750) 12.685 10.899 ( 0.000 25.161 0.409) 25.165 11.415 ( 0.000 10.757 -6.248) 12.439 11.441 ( 0.000 9.602 -6.636) 11.671 11.642 ( 0.000 3.119 -0.195) 3.125 11.805 ( 0.000 8.537 -1.028) 8.599 11.808 ( 0.000 7.602 -8.279) 11.240 12.009 ( 0.000 0.486 1.578) 1.651 12.125 ( 0.000 -1.497 8.732) 8.859 12.230 ( 0.000 -13.155 1.260) 13.216 12.324 ( 0.000 3.817 -1.206) 4.003 12.611 ( 0.000 -11.063 -7.687) 13.471 12.645 ( 0.000 -4.178 -1.254) 4.362 12.725 ( 0.000 -11.768 -3.154) 12.184 12.808 ( 0.000 -11.021 -0.249) 11.024 13.602 ( 0.000 4.310 -6.831) 8.077 13.965 ( 0.000 14.503 9.300) 17.229 13.999 ( 0.000 5.185 -6.724) 8.491 14.207 ( 0.000 -12.882 -3.045) 13.237 14.559 ( 0.000 6.639 -3.096) 7.325 14.799 ( 0.000 7.109 11.058) 13.146 15.059 ( 0.000 6.760 -17.544) 18.801 15.610 ( 0.000 -21.144 -2.240) 21.262 16.042 ( 0.000 -2.261 -18.910) 19.044 16.089 ( 0.000 -10.627 -2.551) 10.929 16.297 ( 0.000 -9.127 -7.496) 11.811 16.373 ( 0.000 0.457 11.330) 11.339 16.534 ( 0.000 -4.699 -1.878) 5.060 16.891 ( 0.000 -0.268 12.494) 12.497 17.050 ( 0.000 -11.746 11.133) 16.184 17.143 ( 0.000 -6.249 6.833) 9.260 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 12.188 16.835 4.393) 21.242 1.647 ( 7.563 12.357 9.755) 17.466 1.784 ( -0.320 2.426 5.364) 5.896 1.926 ( -1.760 0.762 1.442) 2.399 1.973 ( -0.390 0.923 3.431) 3.574 2.094 ( -2.892 1.224 1.762) 3.601 2.123 ( -2.054 -0.725 -1.235) 2.504 2.258 ( 0.274 1.163 0.826) 1.453 2.285 ( -4.031 -4.751 -1.183) 6.342 2.350 ( -1.270 -3.728 3.534) 5.291 2.509 ( -2.745 -1.351 -0.765) 3.154 2.608 ( 0.536 -4.883 2.575) 5.547 2.673 ( -0.831 -3.100 3.553) 4.787 2.809 ( 1.923 -4.955 -1.486) 5.519 2.915 ( -5.165 -3.216 4.315) 7.459 2.992 ( -3.836 -2.950 -2.203) 5.317 3.117 ( 3.932 4.702 -2.314) 6.551 3.218 ( -0.450 8.753 1.371) 8.871 3.301 ( 5.162 0.388 -4.164) 6.643 3.360 ( 3.772 10.474 2.291) 11.366 3.410 ( -0.497 7.001 -1.946) 7.283 3.545 ( 1.874 14.992 2.403) 15.299 3.610 ( -1.644 -1.014 -0.519) 2.000 3.741 ( -0.154 -1.638 -0.658) 1.772 3.839 ( 5.215 0.075 -1.102) 5.331 3.905 ( 3.583 -4.319 -0.710) 5.656 3.917 ( -6.730 -0.433 1.535) 6.917 3.980 ( -7.318 11.782 4.906) 14.712 4.136 ( -8.370 4.645 0.482) 9.585 4.305 ( -8.276 -3.996 -1.971) 9.399 4.425 ( 5.345 8.582 -0.870) 10.147 4.535 ( 1.056 19.468 -1.031) 19.524 4.643 ( 5.120 13.199 0.324) 14.161 4.683 ( 1.840 9.188 -0.594) 9.389 4.725 ( -0.133 6.337 1.346) 6.479 4.760 ( 3.323 -1.754 0.505) 3.791 4.834 ( 1.674 1.046 1.624) 2.556 5.111 ( 7.662 -1.548 -3.451) 8.545 5.160 ( -4.361 0.077 1.439) 4.593 5.227 ( -0.154 5.265 -0.649) 5.307 5.369 ( -2.362 0.892 1.080) 2.746 5.488 ( -0.331 5.195 0.478) 5.227 5.537 ( 2.328 1.441 0.659) 2.816 5.683 ( 0.213 2.259 2.026) 3.042 5.766 ( 2.242 10.292 6.754) 12.513 5.828 ( -2.303 10.390 2.495) 10.931 6.037 ( -1.851 7.918 -0.220) 8.134 6.086 ( -3.751 5.814 0.526) 6.939 6.701 ( -0.246 -2.008 -11.905) 12.076 6.754 ( -1.978 -2.718 -7.378) 8.107 6.942 ( 3.186 -5.720 -5.453) 8.521 7.027 ( -0.391 -5.540 -3.635) 6.638 7.083 ( 0.455 -1.660 2.814) 3.299 7.150 ( -1.693 2.261 -1.806) 3.353 7.175 ( 2.351 -2.493 -1.828) 3.884 7.315 ( -2.551 -0.186 -7.765) 8.176 7.743 ( 0.746 18.468 6.649) 19.642 7.820 ( 5.892 23.740 3.807) 24.755 8.064 ( -4.727 12.132 -1.270) 13.082 8.105 ( 0.292 11.318 -3.642) 11.893 8.298 ( -8.182 5.571 -3.168) 10.393 8.315 ( -4.560 12.608 3.845) 13.947 8.569 ( 10.138 -2.273 2.669) 10.727 8.615 ( 9.437 5.645 3.545) 11.554 8.777 ( -5.838 -3.191 1.465) 6.812 8.891 ( 5.674 -2.204 -4.119) 7.349 9.037 ( -0.283 0.202 3.420) 3.438 9.292 ( -8.190 2.362 0.473) 8.537 9.510 ( 11.566 2.779 -1.188) 11.954 9.714 ( 13.492 5.723 4.911) 15.456 9.777 ( 4.736 6.474 11.987) 14.423 10.069 ( 8.685 -0.518 -5.294) 10.184 10.158 ( 7.206 4.847 0.354) 8.692 10.229 ( 6.112 20.877 -0.172) 21.754 10.303 ( -1.615 16.040 3.904) 16.587 10.464 ( -3.281 16.530 3.969) 17.313 10.754 ( -8.191 15.839 -3.081) 18.096 10.789 ( 2.195 8.895 -5.170) 10.520 10.936 ( 1.140 23.224 2.441) 23.380 11.106 ( -19.760 4.791 -5.662) 21.106 11.456 ( -4.408 8.971 2.896) 10.406 11.554 ( -13.888 3.417 -0.102) 14.303 11.732 ( 3.497 7.300 -4.660) 9.340 11.840 ( -0.963 9.251 -4.937) 10.530 12.039 ( 1.490 -0.281 0.261) 1.539 12.081 ( -2.185 -2.883 2.220) 4.244 12.221 ( -0.515 -7.495 0.695) 7.545 12.287 ( -3.078 2.334 -1.190) 4.042 12.616 ( 0.888 -10.539 -5.856) 12.089 12.659 ( -0.475 -10.153 -4.033) 10.935 12.770 ( 3.612 -8.999 -0.621) 9.717 12.812 ( 0.307 -11.780 -0.194) 11.785 13.583 ( -0.430 5.724 -5.175) 7.728 13.779 ( -9.408 12.013 0.119) 15.259 14.151 ( 6.508 7.138 1.084) 9.720 14.233 ( 1.626 -8.754 -2.964) 9.384 14.565 ( 0.830 6.840 -2.215) 7.238 14.705 ( -5.964 7.646 3.961) 10.475 15.245 ( 13.943 5.119 -11.262) 18.640 15.605 ( -1.243 -17.529 -3.642) 17.947 15.974 ( -4.387 -6.616 -12.406) 14.728 16.024 ( -5.591 -4.394 -5.937) 9.264 16.347 ( 3.815 -4.842 -2.211) 6.548 16.428 ( 3.127 -8.455 0.886) 9.058 16.574 ( 4.360 -2.538 1.787) 5.352 16.832 ( -5.304 -1.013 10.611) 11.907 17.050 ( 0.254 -10.780 12.057) 16.175 17.118 ( -2.291 -7.171 8.555) 11.395 ======================= Grid point 62 (27/60) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -7.344 10.778 5.811) 14.278 1.721 ( 7.344 10.778 5.811) 14.278 1.828 ( -8.875 4.276 2.492) 10.162 1.828 ( 8.875 4.276 2.492) 10.162 1.998 ( -3.933 2.068 3.832) 5.868 1.998 ( 3.933 2.068 3.832) 5.868 2.154 ( -5.573 -2.994 -3.328) 7.149 2.154 ( 5.573 -2.994 -3.328) 7.149 2.290 ( -2.448 -0.189 -0.478) 2.502 2.290 ( 2.448 -0.189 -0.478) 2.502 2.563 ( -4.302 -4.861 5.011) 8.200 2.563 ( 4.302 -4.861 5.011) 8.200 2.746 ( -6.917 -4.336 4.609) 9.375 2.746 ( 6.917 -4.336 4.609) 9.375 2.905 ( -3.849 -2.664 -1.747) 4.996 2.905 ( 3.849 -2.664 -1.747) 4.996 3.191 ( -2.387 4.513 -0.701) 5.154 3.191 ( 2.387 4.513 -0.701) 5.154 3.380 ( -2.599 5.434 -4.620) 7.591 3.380 ( 2.599 5.434 -4.620) 7.591 3.472 ( -6.660 -1.216 2.350) 7.167 3.472 ( 6.660 -1.216 2.350) 7.167 3.677 ( -7.883 17.389 5.193) 19.786 3.677 ( 7.883 17.389 5.193) 19.786 3.860 ( -6.653 5.278 -0.244) 8.496 3.860 ( 6.653 5.278 -0.244) 8.496 3.941 ( -1.020 -0.179 -0.593) 1.193 3.941 ( 1.020 -0.179 -0.593) 1.193 4.119 ( -8.770 -6.101 -1.345) 10.768 4.119 ( 8.770 -6.101 -1.345) 10.768 4.520 ( -3.209 16.140 -1.314) 16.509 4.520 ( 3.209 16.140 -1.314) 16.509 4.683 ( -1.173 11.706 0.847) 11.795 4.683 ( 1.173 11.706 0.847) 11.795 4.753 ( -2.336 2.661 -1.321) 3.780 4.753 ( 2.336 2.661 -1.321) 3.780 4.992 ( -9.440 -3.166 1.485) 10.067 4.992 ( 9.440 -3.166 1.485) 10.067 5.237 ( -3.932 3.980 -1.153) 5.712 5.237 ( 3.932 3.980 -1.153) 5.712 5.388 ( -6.734 3.499 -0.285) 7.594 5.388 ( 6.734 3.499 -0.285) 7.594 5.634 ( -4.860 1.506 2.605) 5.716 5.634 ( 4.860 1.506 2.605) 5.716 5.806 ( -1.129 5.598 4.821) 7.473 5.806 ( 1.129 5.598 4.821) 7.473 6.022 ( -1.436 9.418 0.589) 9.545 6.022 ( 1.436 9.418 0.589) 9.545 6.715 ( -1.613 -2.108 -8.731) 9.126 6.715 ( 1.613 -2.108 -8.731) 9.126 7.002 ( -2.232 -7.008 -3.643) 8.208 7.002 ( 2.232 -7.008 -3.643) 8.208 7.104 ( -1.954 0.937 1.753) 2.787 7.104 ( 1.954 0.937 1.753) 2.787 7.245 ( -3.951 -1.391 -5.100) 6.600 7.245 ( 3.951 -1.391 -5.100) 6.600 7.836 ( -6.739 17.524 -2.673) 18.964 7.836 ( 6.739 17.524 -2.673) 18.964 8.042 ( -6.056 19.045 3.401) 20.272 8.042 ( 6.056 19.045 3.401) 20.272 8.238 ( -2.696 6.896 -0.820) 7.449 8.238 ( 2.696 6.896 -0.820) 7.449 8.658 ( -4.739 -3.631 0.706) 6.012 8.658 ( 4.739 -3.631 0.706) 6.012 8.939 ( -8.499 3.826 -0.314) 9.326 8.939 ( 8.499 3.826 -0.314) 9.326 9.060 ( -9.033 0.413 5.046) 10.355 9.060 ( 9.033 0.413 5.046) 10.355 9.661 ( -4.690 9.827 5.961) 12.414 9.661 ( 4.690 9.827 5.961) 12.414 10.144 ( -10.046 14.101 -2.759) 17.533 10.144 ( 10.046 14.101 -2.759) 17.533 10.256 ( -3.295 10.977 0.977) 11.502 10.256 ( 3.295 10.977 0.977) 11.502 10.449 ( -9.400 2.081 -4.945) 10.823 10.449 ( 9.400 2.081 -4.945) 10.823 10.634 ( -20.415 11.432 -0.677) 23.407 10.634 ( 20.415 11.432 -0.677) 23.407 10.907 ( -7.862 9.403 2.210) 12.454 10.907 ( 7.862 9.403 2.210) 12.454 11.378 ( -1.336 7.656 3.962) 8.723 11.378 ( 1.336 7.656 3.962) 8.723 11.801 ( -2.788 8.225 -4.922) 9.983 11.801 ( 2.788 8.225 -4.922) 9.983 12.058 ( -0.772 -0.460 -1.130) 1.444 12.058 ( 0.772 -0.460 -1.130) 1.444 12.231 ( -1.832 -1.950 -0.375) 2.701 12.231 ( 1.832 -1.950 -0.375) 2.701 12.638 ( -1.250 -11.412 -5.373) 12.675 12.638 ( 1.250 -11.412 -5.373) 12.675 12.813 ( -0.607 -11.373 0.354) 11.394 12.813 ( 0.607 -11.373 0.354) 11.394 13.629 ( -5.166 10.609 -2.497) 12.061 13.629 ( 5.166 10.609 -2.497) 12.061 14.236 ( -1.881 0.087 -0.868) 2.073 14.236 ( 1.881 0.087 -0.868) 2.073 14.607 ( -3.568 7.455 0.269) 8.269 14.607 ( 3.568 7.455 0.269) 8.269 15.503 ( -9.886 -2.979 -8.333) 13.268 15.503 ( 9.886 -2.979 -8.333) 13.268 15.936 ( -1.625 -7.600 -7.071) 10.507 15.936 ( 1.625 -7.600 -7.071) 10.507 16.423 ( -3.085 -6.096 -1.967) 7.110 16.423 ( 3.085 -6.096 -1.967) 7.110 16.703 ( -7.229 -2.997 6.072) 9.905 16.703 ( 7.229 -2.997 6.072) 9.905 17.071 ( -1.929 -8.914 11.671) 14.812 17.071 ( 1.929 -8.914 11.671) 14.812 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.000 11.112 2.136) 11.315 1.759 ( 0.000 -0.567 1.845) 1.930 1.869 ( 0.000 9.211 4.480) 10.243 1.946 ( 0.000 -0.211 1.990) 2.001 2.044 ( 0.000 7.169 5.264) 8.894 2.134 ( 0.000 1.165 1.825) 2.165 2.143 ( 0.000 -0.437 1.168) 1.247 2.208 ( 0.000 -5.331 2.135) 5.743 2.267 ( 0.000 -0.754 3.535) 3.615 2.305 ( 0.000 2.639 0.953) 2.806 2.387 ( 0.000 -11.866 6.610) 13.582 2.469 ( 0.000 -8.299 2.545) 8.680 2.713 ( 0.000 -0.299 0.038) 0.301 2.714 ( 0.000 0.203 2.010) 2.020 2.873 ( 0.000 -3.500 0.133) 3.502 2.911 ( 0.000 -5.494 1.038) 5.591 3.226 ( 0.000 5.006 -4.770) 6.915 3.257 ( 0.000 1.867 -5.473) 5.783 3.408 ( 0.000 8.029 0.537) 8.047 3.485 ( 0.000 3.164 -3.542) 4.750 3.555 ( 0.000 6.301 -0.447) 6.317 3.572 ( 0.000 -2.017 -4.788) 5.195 3.594 ( 0.000 -2.588 -4.841) 5.489 3.680 ( 0.000 -5.465 1.438) 5.651 3.721 ( 0.000 -4.030 2.558) 4.773 3.730 ( 0.000 -3.442 1.632) 3.809 4.214 ( 0.000 18.402 3.186) 18.675 4.309 ( 0.000 0.289 5.913) 5.920 4.321 ( 0.000 1.358 1.995) 2.413 4.366 ( 0.000 1.763 -4.554) 4.883 4.493 ( 0.000 6.083 4.720) 7.700 4.585 ( 0.000 6.360 1.397) 6.511 4.651 ( 0.000 -7.130 6.813) 9.862 4.668 ( 0.000 -0.715 -2.066) 2.186 4.890 ( 0.000 12.320 -2.245) 12.523 4.923 ( 0.000 4.182 -0.665) 4.235 4.948 ( 0.000 -0.582 -3.770) 3.815 4.976 ( 0.000 8.857 -1.918) 9.063 5.172 ( 0.000 -6.679 1.369) 6.818 5.253 ( 0.000 -15.668 0.455) 15.674 5.275 ( 0.000 3.479 1.651) 3.850 5.344 ( 0.000 -2.366 0.367) 2.395 5.706 ( 0.000 3.600 -0.528) 3.638 5.724 ( 0.000 0.995 0.460) 1.096 6.006 ( 0.000 12.372 1.661) 12.483 6.112 ( 0.000 12.325 4.245) 13.036 6.142 ( 0.000 -0.490 1.007) 1.120 6.223 ( 0.000 1.747 2.558) 3.097 6.695 ( 0.000 0.226 -6.685) 6.689 6.762 ( 0.000 4.670 -8.245) 9.476 6.770 ( 0.000 -7.072 -5.424) 8.913 6.915 ( 0.000 -8.461 -5.152) 9.906 7.046 ( 0.000 -0.818 0.642) 1.040 7.056 ( 0.000 -2.346 -0.269) 2.361 7.247 ( 0.000 3.445 -3.996) 5.276 7.308 ( 0.000 -2.765 -6.309) 6.888 8.008 ( 0.000 7.821 4.723) 9.137 8.059 ( 0.000 3.966 -0.512) 3.999 8.213 ( 0.000 3.971 -1.930) 4.415 8.227 ( 0.000 1.526 -1.012) 1.831 8.429 ( 0.000 6.713 4.975) 8.355 8.495 ( 0.000 2.449 9.687) 9.992 8.637 ( 0.000 9.896 -4.250) 10.770 8.671 ( 0.000 1.985 6.109) 6.423 8.690 ( 0.000 -3.585 5.307) 6.404 8.801 ( 0.000 -6.261 -7.100) 9.466 9.137 ( 0.000 8.762 2.147) 9.021 9.284 ( 0.000 -2.531 -7.886) 8.282 9.320 ( 0.000 0.827 5.930) 5.987 9.378 ( 0.000 -8.467 4.891) 9.778 10.011 ( 0.000 4.132 -2.564) 4.863 10.098 ( 0.000 -3.183 -3.310) 4.592 10.142 ( 0.000 15.416 13.556) 20.529 10.330 ( 0.000 -2.449 11.290) 11.552 10.681 ( 0.000 13.637 0.183) 13.638 10.833 ( 0.000 -2.008 -2.815) 3.458 10.872 ( 0.000 18.482 2.555) 18.658 11.032 ( 0.000 3.136 -1.258) 3.379 11.312 ( 0.000 15.452 -3.109) 15.761 11.515 ( 0.000 -2.327 -10.372) 10.630 11.653 ( 0.000 6.338 -10.241) 12.044 11.655 ( 0.000 -1.072 -1.679) 1.991 11.861 ( 0.000 -1.105 2.728) 2.943 11.904 ( 0.000 -2.412 6.141) 6.597 12.077 ( 0.000 6.311 -6.251) 8.882 12.142 ( 0.000 5.994 7.941) 9.949 12.156 ( 0.000 11.693 -2.710) 12.003 12.364 ( 0.000 -4.590 -7.494) 8.788 12.442 ( 0.000 -6.084 -0.855) 6.143 12.489 ( 0.000 -4.610 -2.578) 5.282 12.527 ( 0.000 -10.287 1.706) 10.428 12.603 ( 0.000 -9.113 -2.224) 9.380 13.685 ( 0.000 5.905 -4.502) 7.426 13.875 ( 0.000 -13.617 -4.163) 14.239 14.148 ( 0.000 4.255 -6.654) 7.898 14.180 ( 0.000 3.749 -4.526) 5.877 14.722 ( 0.000 15.935 3.655) 16.348 15.095 ( 0.000 17.488 4.281) 18.004 15.114 ( 0.000 -16.246 -3.036) 16.528 15.252 ( 0.000 -2.817 -4.077) 4.956 15.824 ( 0.000 -12.403 -6.669) 14.082 15.829 ( 0.000 -12.066 -12.337) 17.256 16.300 ( 0.000 3.923 -14.097) 14.633 16.369 ( 0.000 -2.814 -9.815) 10.211 16.578 ( 0.000 9.339 14.592) 17.325 16.805 ( 0.000 -12.926 13.148) 18.437 16.923 ( 0.000 3.373 12.034) 12.498 17.020 ( 0.000 -6.194 9.293) 11.168 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.25 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 7.073 6.936 1.059) 9.963 1.790 ( 2.852 0.498 1.968) 3.500 1.870 ( -0.042 7.126 4.590) 8.477 1.931 ( -1.596 -0.565 2.105) 2.701 2.020 ( -0.727 4.149 4.520) 6.179 2.073 ( -1.177 -0.653 1.901) 2.329 2.187 ( -3.145 3.995 1.688) 5.357 2.228 ( -2.460 -2.105 0.096) 3.239 2.252 ( 3.574 0.372 1.794) 4.016 2.345 ( 1.864 4.711 6.410) 8.170 2.417 ( 3.670 -12.310 2.458) 13.078 2.470 ( 0.436 -5.753 4.252) 7.167 2.647 ( -3.505 2.802 0.485) 4.514 2.725 ( 0.363 -4.107 0.697) 4.181 2.817 ( -5.259 -3.200 2.854) 6.786 2.853 ( -4.308 -6.527 -0.207) 7.824 3.223 ( 2.094 4.425 -3.425) 5.975 3.283 ( 0.552 -1.691 -4.574) 4.908 3.403 ( -0.273 6.300 -1.385) 6.456 3.486 ( 0.170 5.927 -1.926) 6.234 3.506 ( -5.627 2.266 -0.573) 6.093 3.559 ( -3.716 1.159 1.165) 4.063 3.637 ( 3.183 -1.769 -1.615) 3.984 3.673 ( 1.555 -6.809 -3.315) 7.731 3.770 ( 5.827 -3.555 -0.239) 6.830 3.793 ( 6.466 -4.935 -0.295) 8.139 4.184 ( -10.047 1.957 -0.697) 10.259 4.213 ( -7.464 2.830 -1.631) 8.148 4.248 ( 1.104 17.187 5.289) 18.016 4.367 ( -2.431 16.505 5.349) 17.520 4.498 ( 5.958 -1.023 1.517) 6.233 4.657 ( 0.208 -7.595 5.896) 9.617 4.725 ( 7.111 0.983 -1.047) 7.254 4.748 ( 7.210 0.453 -0.357) 7.233 4.869 ( -1.901 7.107 -2.508) 7.773 4.894 ( -1.010 10.272 -1.243) 10.396 4.934 ( -2.366 9.079 -1.949) 9.582 5.034 ( 3.054 -4.256 -1.663) 5.496 5.117 ( -3.580 -5.030 2.205) 6.556 5.233 ( -1.832 -14.550 -0.135) 14.665 5.331 ( 5.278 4.685 1.254) 7.168 5.411 ( 5.849 -3.964 0.039) 7.066 5.638 ( -5.951 3.934 0.057) 7.134 5.682 ( -4.402 -1.305 0.471) 4.616 6.005 ( 0.142 11.990 2.876) 12.331 6.078 ( -2.835 11.945 5.067) 13.281 6.136 ( -0.316 -0.139 1.823) 1.855 6.190 ( -2.674 1.420 3.222) 4.421 6.697 ( 0.517 1.952 -6.707) 7.005 6.750 ( -1.107 4.013 -7.480) 8.560 6.801 ( 2.377 -7.278 -4.761) 9.016 6.894 ( -1.893 -8.132 -4.702) 9.583 7.066 ( 2.148 0.121 0.531) 2.216 7.097 ( 3.709 -3.163 -1.099) 4.997 7.213 ( -3.236 3.190 -2.689) 5.280 7.274 ( -3.296 -3.027 -5.138) 6.814 8.002 ( 1.555 9.734 0.961) 9.904 8.092 ( 3.488 1.940 -3.277) 5.165 8.216 ( -2.201 5.766 -2.770) 6.765 8.268 ( 2.989 2.033 -1.090) 3.776 8.419 ( -5.204 7.426 2.162) 9.322 8.508 ( 2.652 -2.728 3.718) 5.319 8.545 ( -5.051 8.600 0.139) 9.974 8.682 ( -4.506 -5.416 -3.732) 7.973 8.755 ( 11.766 6.609 9.672) 16.604 8.853 ( 8.155 -2.956 5.257) 10.143 9.092 ( -2.826 6.787 1.017) 7.422 9.247 ( -5.791 -6.739 -0.606) 8.906 9.576 ( 19.540 4.745 1.956) 20.203 9.679 ( 26.072 -4.815 4.370) 26.870 10.042 ( -5.326 12.246 8.164) 15.652 10.080 ( 6.800 6.374 -3.250) 9.871 10.162 ( 4.618 -3.064 -0.861) 5.608 10.302 ( -3.113 -6.995 8.420) 11.380 10.664 ( -2.421 14.286 -1.011) 14.525 10.786 ( -8.150 6.115 -6.171) 11.912 10.907 ( 4.456 8.437 2.507) 9.865 10.999 ( -3.040 4.571 0.735) 5.539 11.206 ( -13.314 10.618 -2.846) 17.266 11.346 ( -14.724 6.616 -5.058) 16.915 11.531 ( -4.273 6.469 -0.402) 7.763 11.663 ( -6.716 7.318 4.736) 11.004 11.773 ( -0.479 -8.496 -3.249) 9.109 11.866 ( -5.380 -10.487 2.508) 12.050 12.077 ( 2.422 10.307 -0.956) 10.631 12.120 ( 1.285 12.026 -4.215) 12.808 12.224 ( 2.645 5.751 -1.407) 6.484 12.351 ( -1.670 -2.088 -6.322) 6.864 12.427 ( -0.837 -9.044 -2.906) 9.537 12.444 ( -2.563 -3.582 -2.335) 4.985 12.547 ( 0.263 -14.016 0.461) 14.026 12.592 ( -1.076 -10.274 -1.235) 10.404 13.735 ( 5.408 10.777 -4.150) 12.752 13.960 ( 4.594 -6.406 -6.037) 9.929 14.056 ( -4.491 3.940 -3.984) 7.181 14.192 ( -1.494 -4.169 -6.104) 7.541 14.770 ( 4.387 17.259 3.761) 18.201 14.997 ( -5.845 17.829 1.907) 18.859 15.179 ( 3.766 -20.937 0.947) 21.294 15.290 ( 1.043 -8.412 -2.965) 8.980 15.815 ( 5.130 0.689 -10.080) 11.332 15.981 ( 8.385 -10.182 -12.326) 18.053 16.231 ( -5.808 2.102 -12.932) 14.332 16.333 ( -3.714 -5.888 -10.999) 13.017 16.633 ( 4.780 7.941 13.582) 16.443 16.821 ( 0.992 -9.000 13.487) 16.244 16.874 ( -3.825 1.680 12.885) 13.546 16.979 ( -3.736 -6.978 10.779) 13.373 ======================= Grid point 67 (30/60) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -1.490 2.997 3.059) 4.534 1.845 ( 1.490 2.997 3.059) 4.534 1.878 ( -3.569 0.005 1.736) 3.968 1.878 ( 3.569 0.005 1.736) 3.968 2.065 ( -4.646 4.454 3.320) 7.242 2.065 ( 4.646 4.454 3.320) 7.242 2.128 ( -4.695 -1.348 -0.115) 4.886 2.128 ( 4.695 -1.348 -0.115) 4.886 2.330 ( -2.867 5.808 2.901) 7.097 2.330 ( 2.867 5.808 2.901) 7.097 2.478 ( -0.278 -6.358 3.927) 7.478 2.478 ( 0.278 -6.358 3.927) 7.478 2.671 ( -6.205 0.242 2.793) 6.808 2.671 ( 6.205 0.242 2.793) 6.808 2.775 ( -3.254 -8.183 0.366) 8.814 2.775 ( 3.254 -8.183 0.366) 8.814 3.294 ( -1.899 5.226 -3.535) 6.589 3.294 ( 1.899 5.226 -3.535) 6.589 3.381 ( -2.111 -3.776 -0.707) 4.384 3.381 ( 2.111 -3.776 -0.707) 4.384 3.514 ( -2.104 6.883 0.020) 7.197 3.514 ( 2.104 6.883 0.020) 7.197 3.668 ( -1.096 -8.016 -0.600) 8.112 3.668 ( 1.096 -8.016 -0.600) 8.112 3.944 ( -8.557 2.554 -2.470) 9.265 3.944 ( 8.557 2.554 -2.470) 9.265 4.009 ( -8.484 -4.183 -2.171) 9.705 4.009 ( 8.484 -4.183 -2.171) 9.705 4.313 ( -3.303 23.958 5.837) 24.879 4.313 ( 3.303 23.958 5.837) 24.879 4.621 ( -4.617 -6.902 2.965) 8.817 4.621 ( 4.617 -6.902 2.965) 8.817 4.817 ( -3.232 6.059 -3.367) 7.648 4.817 ( 3.232 6.059 -3.367) 7.648 4.874 ( -1.894 3.907 -1.721) 4.670 4.874 ( 1.894 3.907 -1.721) 4.670 4.950 ( -6.944 3.301 1.886) 7.917 4.950 ( 6.944 3.301 1.886) 7.917 5.165 ( -4.628 -11.785 0.196) 12.663 5.165 ( 4.628 -11.785 0.196) 12.663 5.471 ( -6.703 5.492 -0.378) 8.674 5.471 ( 6.703 5.492 -0.378) 8.674 5.566 ( -5.603 -4.402 1.070) 7.205 5.566 ( 5.603 -4.402 1.070) 7.205 6.025 ( -1.997 11.662 4.995) 12.843 6.025 ( 1.997 11.662 4.995) 12.843 6.145 ( -1.438 0.738 3.294) 3.670 6.145 ( 1.438 0.738 3.294) 3.670 6.720 ( -1.606 3.731 -6.855) 7.969 6.720 ( 1.606 3.731 -6.855) 7.969 6.849 ( -2.387 -8.312 -4.165) 9.599 6.849 ( 2.387 -8.312 -4.165) 9.599 7.133 ( -4.194 2.146 -0.584) 4.747 7.133 ( 4.194 2.146 -0.584) 4.747 7.188 ( -4.903 -3.425 -3.032) 6.705 7.188 ( 4.903 -3.425 -3.032) 6.705 8.094 ( -6.569 10.048 -3.616) 12.538 8.094 ( 6.569 10.048 -3.616) 12.538 8.208 ( -5.973 -1.012 -4.351) 7.459 8.208 ( 5.973 -1.012 -4.351) 7.459 8.446 ( -5.237 10.620 3.839) 12.448 8.446 ( 5.237 10.620 3.839) 12.448 8.577 ( -4.888 -4.692 0.919) 6.838 8.577 ( 4.888 -4.692 0.919) 6.838 8.996 ( -6.170 3.492 1.648) 7.279 8.996 ( 6.170 3.492 1.648) 7.279 9.060 ( -11.453 -1.870 5.009) 12.639 9.060 ( 11.453 -1.870 5.009) 12.639 9.880 ( -9.870 13.521 8.594) 18.817 9.880 ( 9.870 13.521 8.594) 18.817 10.146 ( -12.359 -12.208 7.634) 18.975 10.146 ( 12.359 -12.208 7.634) 18.975 10.389 ( -7.361 7.078 -10.181) 14.420 10.389 ( 7.361 7.078 -10.181) 14.420 10.469 ( -3.989 -0.769 -9.148) 10.010 10.469 ( 3.989 -0.769 -9.148) 10.010 10.960 ( -2.606 14.942 3.937) 15.670 10.960 ( 2.606 14.942 3.937) 15.670 11.070 ( -8.889 3.991 5.363) 11.123 11.070 ( 8.889 3.991 5.363) 11.123 11.541 ( -4.195 10.711 2.565) 11.786 11.541 ( 4.195 10.711 2.565) 11.786 11.792 ( -1.964 -11.828 -2.716) 12.294 11.792 ( 1.964 -11.828 -2.716) 12.294 12.127 ( -1.187 11.213 -3.199) 11.721 12.127 ( 1.187 11.213 -3.199) 11.721 12.288 ( -3.952 4.744 -3.185) 6.948 12.288 ( 3.952 4.744 -3.185) 6.948 12.418 ( -0.124 -8.642 -4.248) 9.630 12.418 ( 0.124 -8.642 -4.248) 9.630 12.561 ( -1.495 -13.777 -0.252) 13.861 12.561 ( 1.495 -13.777 -0.252) 13.861 13.876 ( -7.676 13.935 -4.808) 16.620 13.876 ( 7.676 13.935 -4.808) 16.620 14.120 ( -5.258 -10.527 -5.528) 13.001 14.120 ( 5.258 -10.527 -5.528) 13.001 14.878 ( -5.966 18.584 3.264) 19.790 14.878 ( 5.966 18.584 3.264) 19.790 15.257 ( -3.573 -19.229 -0.074) 19.558 15.257 ( 3.573 -19.229 -0.074) 19.558 15.987 ( -9.110 10.105 -13.181) 18.943 15.987 ( 9.110 10.105 -13.181) 18.943 16.223 ( -6.373 -12.913 -12.251) 18.907 16.223 ( 6.373 -12.913 -12.251) 18.907 16.745 ( -6.022 6.032 13.642) 16.086 16.745 ( 6.022 6.032 13.642) 16.086 16.895 ( -3.891 -8.944 13.088) 16.323 16.895 ( 3.891 -8.944 13.088) 16.323 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.000 0.000 22.468) 22.468 1.194 ( 0.000 0.000 26.653) 26.653 1.676 ( 0.000 0.000 5.138) 5.138 1.776 ( 0.000 0.000 6.265) 6.265 1.943 ( 0.000 0.000 18.403) 18.403 1.976 ( 0.000 0.000 31.591) 31.591 2.021 ( 0.000 0.000 -9.236) 9.236 2.045 ( 0.000 0.000 3.764) 3.764 2.177 ( 0.000 0.000 6.186) 6.186 2.323 ( 0.000 0.000 -7.354) 7.354 2.468 ( 0.000 0.000 2.214) 2.214 2.478 ( 0.000 0.000 -0.712) 0.712 2.615 ( 0.000 0.000 0.873) 0.873 2.715 ( 0.000 0.000 -4.950) 4.950 2.718 ( 0.000 0.000 -5.886) 5.886 2.784 ( 0.000 0.000 -5.700) 5.700 2.852 ( 0.000 0.000 -3.822) 3.822 2.911 ( 0.000 0.000 -0.381) 0.381 2.975 ( 0.000 0.000 4.630) 4.630 2.982 ( 0.000 0.000 -2.549) 2.549 3.108 ( 0.000 0.000 2.489) 2.489 3.130 ( 0.000 0.000 -0.344) 0.344 3.342 ( 0.000 0.000 -5.137) 5.137 3.406 ( 0.000 0.000 4.569) 4.569 3.451 ( 0.000 0.000 -0.925) 0.925 3.704 ( 0.000 0.000 -3.767) 3.767 3.945 ( 0.000 0.000 -3.536) 3.536 4.059 ( 0.000 0.000 -3.380) 3.380 4.062 ( 0.000 0.000 -6.445) 6.445 4.122 ( 0.000 0.000 3.222) 3.222 4.211 ( 0.000 0.000 -0.417) 0.417 4.306 ( 0.000 0.000 -4.425) 4.425 4.364 ( 0.000 0.000 -7.052) 7.052 4.456 ( 0.000 0.000 -4.580) 4.580 4.585 ( 0.000 0.000 4.904) 4.904 4.620 ( 0.000 0.000 8.394) 8.394 4.763 ( 0.000 0.000 1.823) 1.823 4.774 ( 0.000 0.000 1.553) 1.553 4.956 ( 0.000 0.000 -2.416) 2.416 5.015 ( 0.000 0.000 -1.857) 1.857 5.125 ( 0.000 0.000 0.759) 0.759 5.297 ( 0.000 0.000 -4.749) 4.749 5.403 ( 0.000 0.000 2.466) 2.466 5.528 ( 0.000 0.000 -8.837) 8.837 5.563 ( 0.000 0.000 4.347) 4.347 5.599 ( 0.000 0.000 1.986) 1.986 5.746 ( 0.000 0.000 0.600) 0.600 5.802 ( 0.000 0.000 0.252) 0.252 6.111 ( 0.000 0.000 18.798) 18.798 6.484 ( 0.000 0.000 15.112) 15.112 6.703 ( 0.000 0.000 0.197) 0.197 6.825 ( 0.000 0.000 -2.361) 2.361 7.056 ( 0.000 0.000 -6.270) 6.270 7.069 ( 0.000 0.000 -1.760) 1.760 7.146 ( 0.000 0.000 -10.027) 10.027 7.180 ( 0.000 0.000 -4.175) 4.175 7.338 ( 0.000 0.000 -4.483) 4.483 7.610 ( 0.000 0.000 7.552) 7.552 7.692 ( 0.000 0.000 -8.467) 8.467 7.713 ( 0.000 0.000 -7.690) 7.690 7.818 ( 0.000 0.000 4.807) 4.807 7.928 ( 0.000 0.000 3.162) 3.162 8.488 ( 0.000 0.000 6.324) 6.324 8.505 ( 0.000 0.000 -6.466) 6.466 8.684 ( 0.000 0.000 9.643) 9.643 8.704 ( 0.000 0.000 1.612) 1.612 8.814 ( 0.000 0.000 -1.334) 1.334 8.938 ( 0.000 0.000 -1.550) 1.550 9.100 ( 0.000 0.000 -3.325) 3.325 9.179 ( 0.000 0.000 -10.890) 10.890 9.460 ( 0.000 0.000 1.483) 1.483 9.723 ( 0.000 0.000 -3.304) 3.304 9.771 ( 0.000 0.000 -4.011) 4.011 9.857 ( 0.000 0.000 -6.811) 6.811 10.014 ( 0.000 0.000 4.365) 4.365 10.169 ( 0.000 0.000 9.906) 9.906 10.240 ( 0.000 0.000 2.696) 2.696 10.326 ( 0.000 0.000 5.377) 5.377 10.732 ( 0.000 0.000 -16.581) 16.581 10.750 ( 0.000 0.000 -9.846) 9.846 10.969 ( 0.000 0.000 4.800) 4.800 11.087 ( 0.000 0.000 3.734) 3.734 11.404 ( 0.000 0.000 -6.064) 6.064 11.531 ( 0.000 0.000 -8.554) 8.554 12.158 ( 0.000 0.000 8.767) 8.767 12.254 ( 0.000 0.000 7.490) 7.490 12.310 ( 0.000 0.000 1.161) 1.161 12.557 ( 0.000 0.000 -5.599) 5.599 12.649 ( 0.000 0.000 17.834) 17.834 12.923 ( 0.000 0.000 0.681) 0.681 12.989 ( 0.000 0.000 2.963) 2.963 13.350 ( 0.000 0.000 3.653) 3.653 13.480 ( 0.000 0.000 6.429) 6.429 13.574 ( 0.000 0.000 -2.866) 2.866 13.625 ( 0.000 0.000 -0.248) 0.248 14.308 ( 0.000 0.000 -24.643) 24.643 14.397 ( 0.000 0.000 -4.294) 4.294 14.403 ( 0.000 0.000 -11.345) 11.345 15.141 ( 0.000 0.000 16.051) 16.051 15.727 ( 0.000 0.000 8.476) 8.476 16.070 ( 0.000 0.000 -10.295) 10.295 16.359 ( 0.000 0.000 -5.217) 5.217 16.634 ( 0.000 0.000 10.610) 10.610 16.802 ( 0.000 0.000 -2.123) 2.123 16.894 ( 0.000 0.000 -1.035) 1.035 17.173 ( 0.000 0.000 -3.487) 3.487 17.467 ( 0.000 0.000 7.227) 7.227 17.598 ( 0.000 0.000 4.359) 4.359 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 6.235 0.000 20.297) 21.233 1.222 ( 6.274 0.000 25.010) 25.785 1.467 ( -12.252 0.000 10.813) 16.341 1.821 ( -12.977 0.000 11.011) 17.019 1.936 ( 6.998 0.000 -1.288) 7.115 2.020 ( -0.080 0.000 -8.744) 8.745 2.033 ( 0.143 0.000 4.692) 4.694 2.075 ( -0.167 0.000 9.447) 9.449 2.268 ( 12.083 0.000 16.693) 20.607 2.355 ( 0.879 0.000 -3.602) 3.708 2.467 ( 1.312 0.000 3.149) 3.412 2.472 ( 2.268 0.000 -2.207) 3.165 2.616 ( -3.208 0.000 -3.298) 4.601 2.637 ( -2.098 0.000 1.413) 2.529 2.694 ( 1.584 0.000 -3.872) 4.183 2.757 ( -1.424 0.000 -0.035) 1.425 2.822 ( -2.464 0.000 -3.163) 4.009 2.892 ( -1.789 0.000 -0.214) 1.801 2.988 ( 2.357 0.000 2.411) 3.372 3.025 ( 4.392 0.000 4.997) 6.653 3.152 ( 2.845 0.000 3.817) 4.760 3.275 ( 6.871 0.000 1.203) 6.976 3.342 ( -3.930 0.000 1.982) 4.401 3.404 ( 6.585 0.000 -6.795) 9.462 3.431 ( -2.905 0.000 0.783) 3.008 3.691 ( -2.887 0.000 -2.234) 3.651 3.883 ( -4.916 0.000 -1.995) 5.306 3.954 ( -24.042 0.000 14.403) 28.027 4.080 ( 1.835 0.000 -5.516) 5.813 4.090 ( 1.930 0.000 -4.328) 4.739 4.144 ( 0.022 0.000 0.285) 0.286 4.217 ( -2.647 0.000 4.349) 5.092 4.374 ( 1.103 0.000 -7.464) 7.545 4.423 ( 1.705 0.000 -7.291) 7.487 4.450 ( -0.971 0.000 -6.016) 6.094 4.604 ( -5.576 0.000 -0.449) 5.594 4.837 ( 4.624 0.000 -1.471) 4.852 4.933 ( 0.677 0.000 -6.074) 6.111 5.038 ( 5.499 0.000 -2.715) 6.133 5.135 ( 1.239 0.000 0.963) 1.570 5.136 ( 12.964 0.000 4.064) 13.586 5.252 ( -3.678 0.000 -1.113) 3.843 5.352 ( -2.882 0.000 0.774) 2.984 5.492 ( -1.939 0.000 -2.821) 3.423 5.615 ( 4.977 0.000 2.247) 5.461 5.633 ( 2.109 0.000 -0.364) 2.140 5.750 ( -0.865 0.000 0.006) 0.865 5.810 ( -0.920 0.000 -0.218) 0.945 6.146 ( 3.887 0.000 16.236) 16.695 6.379 ( -6.700 0.000 11.203) 13.053 6.831 ( 1.125 0.000 -1.514) 1.886 6.865 ( 11.536 0.000 1.221) 11.600 6.984 ( -4.855 0.000 -0.881) 4.935 7.118 ( 2.733 0.000 -6.775) 7.305 7.127 ( -1.623 0.000 -8.727) 8.876 7.186 ( 0.052 0.000 -5.113) 5.113 7.405 ( 6.072 0.000 -2.539) 6.582 7.547 ( -5.055 0.000 5.426) 7.416 7.612 ( -7.048 0.000 -0.968) 7.114 7.665 ( -4.433 0.000 -1.231) 4.601 7.818 ( -0.103 0.000 -1.579) 1.582 7.879 ( -3.458 0.000 -1.554) 3.791 8.520 ( 3.657 0.000 -4.468) 5.774 8.567 ( 5.355 0.000 2.663) 5.980 8.768 ( 3.408 0.000 -0.223) 3.415 8.788 ( -1.980 0.000 -1.038) 2.236 8.800 ( 9.556 0.000 8.115) 12.537 8.933 ( 0.416 0.000 -0.113) 0.432 9.085 ( -2.046 0.000 -2.635) 3.336 9.126 ( -4.737 0.000 -4.060) 6.239 9.459 ( 1.188 0.000 3.054) 3.277 9.596 ( -7.574 0.000 -0.007) 7.574 9.729 ( -9.266 0.000 -2.676) 9.644 9.792 ( -5.592 0.000 -0.765) 5.644 9.997 ( -2.010 0.000 6.101) 6.424 10.176 ( 13.114 0.000 -1.976) 13.262 10.337 ( 8.452 0.000 0.040) 8.452 10.348 ( -4.194 0.000 0.208) 4.199 10.625 ( -7.515 0.000 -9.245) 11.914 10.749 ( -5.042 0.000 -13.302) 14.225 10.989 ( 1.878 0.000 5.128) 5.461 11.071 ( -1.466 0.000 3.964) 4.226 11.420 ( 1.671 0.000 -5.202) 5.464 11.505 ( -1.991 0.000 -6.719) 7.008 12.221 ( 3.138 0.000 7.615) 8.236 12.311 ( 3.233 0.000 6.464) 7.227 12.379 ( 5.843 0.000 0.502) 5.865 12.554 ( -0.962 0.000 -3.983) 4.098 12.666 ( 4.430 0.000 8.507) 9.591 12.921 ( -2.369 0.000 -1.635) 2.879 13.038 ( 5.689 0.000 6.690) 8.782 13.341 ( -8.429 0.000 6.908) 10.899 13.378 ( 2.788 0.000 2.146) 3.518 13.540 ( -3.283 0.000 -2.393) 4.062 13.804 ( 12.073 0.000 -3.796) 12.656 14.251 ( -7.044 0.000 -25.035) 26.007 14.351 ( -1.919 0.000 -6.243) 6.531 14.382 ( -1.901 0.000 -2.398) 3.060 15.222 ( 7.200 0.000 12.154) 14.126 15.591 ( -9.836 0.000 6.960) 12.050 16.199 ( 8.736 0.000 -8.036) 11.870 16.372 ( 0.629 0.000 -6.042) 6.075 16.634 ( 0.375 0.000 8.831) 8.839 16.763 ( -3.592 0.000 -1.421) 3.863 16.923 ( 2.449 0.000 -0.779) 2.570 17.090 ( -6.050 0.000 0.871) 6.112 17.502 ( 2.534 0.000 6.273) 6.765 17.583 ( -1.328 0.000 5.341) 5.504 ======================= Grid point 92 (33/60) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -10.346 0.000 15.696) 18.800 1.238 ( 10.346 0.000 15.696) 18.800 1.482 ( -17.880 0.000 16.076) 24.044 1.482 ( 17.880 0.000 16.076) 24.044 2.011 ( -1.279 0.000 -6.894) 7.011 2.011 ( 1.279 0.000 -6.894) 7.011 2.048 ( -1.498 0.000 3.905) 4.182 2.048 ( 1.498 0.000 3.905) 4.182 2.347 ( -0.986 0.000 -4.755) 4.856 2.347 ( 0.986 0.000 -4.755) 4.856 2.541 ( -5.392 0.000 2.612) 5.991 2.541 ( 5.392 0.000 2.612) 5.991 2.600 ( -4.011 0.000 1.157) 4.174 2.600 ( 4.011 0.000 1.157) 4.174 2.762 ( -3.499 0.000 -2.579) 4.347 2.762 ( 3.499 0.000 -2.579) 4.347 2.804 ( -6.141 0.000 0.732) 6.184 2.804 ( 6.141 0.000 0.732) 6.184 3.128 ( -4.991 0.000 6.138) 7.911 3.128 ( 4.991 0.000 6.138) 7.911 3.209 ( -16.774 0.000 17.416) 24.180 3.209 ( 16.774 0.000 17.416) 24.180 3.348 ( -4.245 0.000 0.353) 4.260 3.348 ( 4.245 0.000 0.353) 4.260 3.510 ( -4.603 0.000 -3.303) 5.665 3.510 ( 4.603 0.000 -3.303) 5.665 3.775 ( -4.295 0.000 0.325) 4.308 3.775 ( 4.295 0.000 0.325) 4.308 4.108 ( -0.444 0.000 -4.950) 4.969 4.108 ( 0.444 0.000 -4.950) 4.969 4.174 ( -2.420 0.000 2.046) 3.169 4.174 ( 2.420 0.000 2.046) 3.169 4.412 ( -2.458 0.000 -7.591) 7.979 4.412 ( 2.458 0.000 -7.591) 7.979 4.494 ( -4.859 0.000 -3.388) 5.923 4.494 ( 4.859 0.000 -3.388) 5.923 4.913 ( -2.510 0.000 -3.588) 4.379 4.913 ( 2.510 0.000 -3.588) 4.379 5.152 ( -6.047 0.000 -6.348) 8.767 5.152 ( 6.047 0.000 -6.348) 8.767 5.180 ( -3.132 0.000 1.142) 3.334 5.180 ( 3.132 0.000 1.142) 3.334 5.436 ( -5.232 0.000 2.158) 5.660 5.436 ( 5.232 0.000 2.158) 5.660 5.692 ( -4.018 0.000 0.367) 4.035 5.692 ( 4.018 0.000 0.367) 4.035 5.735 ( -5.947 0.000 0.848) 6.007 5.735 ( 5.947 0.000 0.848) 6.007 6.253 ( -6.036 0.000 11.410) 12.908 6.253 ( 6.036 0.000 11.410) 12.908 6.886 ( -4.288 0.000 -0.214) 4.293 6.886 ( 4.288 0.000 -0.214) 4.293 7.062 ( -6.422 0.000 -5.229) 8.281 7.062 ( 6.422 0.000 -5.229) 8.281 7.167 ( -1.900 0.000 -6.685) 6.950 7.167 ( 1.900 0.000 -6.685) 6.950 7.494 ( -2.004 0.000 5.958) 6.286 7.494 ( 2.004 0.000 5.958) 6.286 7.546 ( -7.154 0.000 1.214) 7.256 7.546 ( 7.154 0.000 1.214) 7.256 7.827 ( -1.426 0.000 -6.053) 6.219 7.827 ( 1.426 0.000 -6.053) 6.219 8.612 ( -3.262 0.000 -5.138) 6.086 8.612 ( 3.262 0.000 -5.138) 6.086 8.771 ( -2.298 0.000 3.102) 3.860 8.771 ( 2.298 0.000 3.102) 3.860 8.992 ( -8.633 0.000 5.066) 10.010 8.992 ( 8.633 0.000 5.066) 10.010 9.003 ( -5.518 0.000 -1.154) 5.637 9.003 ( 5.518 0.000 -1.154) 5.637 9.565 ( -10.021 0.000 5.586) 11.473 9.565 ( 10.021 0.000 5.586) 11.473 9.568 ( -4.939 0.000 -1.382) 5.129 9.568 ( 4.939 0.000 -1.382) 5.129 10.164 ( -11.899 0.000 -3.088) 12.293 10.164 ( 11.899 0.000 -3.088) 12.293 10.436 ( -11.115 0.000 -5.252) 12.294 10.436 ( 11.115 0.000 -5.252) 12.294 10.555 ( -12.219 0.000 -7.145) 14.155 10.555 ( 12.219 0.000 -7.145) 14.155 11.033 ( -2.242 0.000 4.735) 5.239 11.033 ( 2.242 0.000 4.735) 5.239 11.463 ( -2.260 0.000 -4.929) 5.423 11.463 ( 2.260 0.000 -4.929) 5.423 12.289 ( -3.568 0.000 8.450) 9.173 12.289 ( 3.568 0.000 8.450) 9.173 12.496 ( -4.898 0.000 -1.131) 5.027 12.496 ( 4.898 0.000 -1.131) 5.027 12.818 ( -7.750 0.000 -1.701) 7.935 12.818 ( 7.750 0.000 -1.701) 7.935 13.180 ( -7.748 0.000 7.552) 10.819 13.180 ( 7.748 0.000 7.552) 10.819 13.456 ( -4.622 0.000 -0.679) 4.672 13.456 ( 4.622 0.000 -0.679) 4.672 14.049 ( -11.904 0.000 -12.974) 17.607 14.049 ( 11.904 0.000 -12.974) 17.607 14.347 ( -1.130 0.000 -4.832) 4.962 14.347 ( 1.130 0.000 -4.832) 4.962 15.394 ( -9.525 0.000 8.015) 12.448 15.394 ( 9.525 0.000 8.015) 12.448 16.339 ( -4.563 0.000 -6.751) 8.149 16.339 ( 4.563 0.000 -6.751) 8.149 16.677 ( -4.052 0.000 3.332) 5.246 16.677 ( 4.052 0.000 3.332) 5.246 16.988 ( -4.060 0.000 1.204) 4.235 16.988 ( 4.060 0.000 1.204) 4.235 17.549 ( -2.042 0.000 6.208) 6.535 17.549 ( 2.042 0.000 6.208) 6.535 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 0.000 5.130 24.807) 25.332 1.292 ( 0.000 19.827 18.411) 27.057 1.921 ( 0.000 15.930 5.885) 16.982 1.937 ( 0.000 0.590 10.265) 10.282 1.996 ( 0.000 13.035 4.114) 13.669 2.018 ( 0.000 -0.718 1.401) 1.574 2.089 ( 0.000 1.292 -2.126) 2.487 2.106 ( 0.000 16.668 29.563) 33.938 2.208 ( 0.000 8.885 1.349) 8.987 2.301 ( 0.000 2.553 -5.094) 5.698 2.441 ( 0.000 -1.798 -0.397) 1.841 2.595 ( 0.000 1.226 -2.808) 3.064 2.624 ( 0.000 0.434 -0.251) 0.502 2.672 ( 0.000 -3.175 -1.678) 3.591 2.749 ( 0.000 -0.610 -7.103) 7.130 2.826 ( 0.000 6.715 -2.080) 7.030 2.861 ( 0.000 4.288 0.823) 4.366 3.019 ( 0.000 5.989 -2.829) 6.624 3.034 ( 0.000 9.927 -4.320) 10.827 3.099 ( 0.000 1.762 2.882) 3.377 3.181 ( 0.000 3.320 2.063) 3.908 3.258 ( 0.000 21.977 0.457) 21.982 3.452 ( 0.000 16.678 0.344) 16.681 3.552 ( 0.000 8.892 -0.349) 8.899 3.665 ( 0.000 16.985 -0.869) 17.007 3.686 ( 0.000 0.488 0.925) 1.046 3.936 ( 0.000 -3.206 3.514) 4.757 3.948 ( 0.000 1.677 -2.040) 2.641 4.036 ( 0.000 -1.604 -2.988) 3.392 4.118 ( 0.000 -7.835 -5.888) 9.800 4.158 ( 0.000 -5.303 0.013) 5.303 4.332 ( 0.000 6.218 -6.422) 8.939 4.390 ( 0.000 1.025 -6.777) 6.855 4.505 ( 0.000 3.019 5.418) 6.202 4.625 ( 0.000 1.025 4.294) 4.415 4.662 ( 0.000 6.264 -2.523) 6.753 4.718 ( 0.000 -2.551 3.628) 4.435 4.747 ( 0.000 -0.391 2.300) 2.333 4.992 ( 0.000 4.465 -3.383) 5.602 5.051 ( 0.000 3.630 -2.753) 4.556 5.201 ( 0.000 4.808 3.122) 5.733 5.311 ( 0.000 -0.347 -4.657) 4.670 5.459 ( 0.000 5.951 2.622) 6.503 5.565 ( 0.000 1.514 1.935) 2.457 5.585 ( 0.000 6.668 -7.449) 9.998 5.697 ( 0.000 0.040 0.745) 0.746 5.698 ( 0.000 5.925 4.749) 7.593 5.952 ( 0.000 9.316 0.351) 9.323 6.214 ( 0.000 13.740 14.198) 19.758 6.650 ( 0.000 -4.838 -2.482) 5.437 6.665 ( 0.000 15.882 5.593) 16.838 6.820 ( 0.000 -1.794 -3.254) 3.716 7.007 ( 0.000 -1.506 -3.942) 4.220 7.050 ( 0.000 -0.549 -5.139) 5.169 7.160 ( 0.000 -1.996 -4.503) 4.926 7.190 ( 0.000 1.150 -4.049) 4.210 7.341 ( 0.000 1.226 -1.749) 2.136 7.666 ( 0.000 5.125 7.307) 8.925 7.763 ( 0.000 4.699 -7.200) 8.598 7.813 ( 0.000 10.024 -6.474) 11.933 7.839 ( 0.000 4.513 2.410) 5.116 7.968 ( 0.000 4.873 2.406) 5.435 8.464 ( 0.000 -1.909 6.991) 7.247 8.563 ( 0.000 4.895 -7.429) 8.897 8.674 ( 0.000 -2.063 6.854) 7.158 8.837 ( 0.000 11.974 2.074) 12.153 8.914 ( 0.000 6.001 -3.438) 6.916 9.068 ( 0.000 12.319 -2.267) 12.526 9.190 ( 0.000 7.832 -0.563) 7.852 9.211 ( 0.000 7.427 -7.482) 10.542 9.567 ( 0.000 -8.205 -3.760) 9.025 9.589 ( 0.000 13.663 -1.394) 13.734 9.902 ( 0.000 6.102 -0.646) 6.136 9.904 ( 0.000 5.996 -3.183) 6.789 10.010 ( 0.000 1.184 5.798) 5.918 10.263 ( 0.000 -0.070 5.929) 5.930 10.277 ( 0.000 9.683 8.213) 12.697 10.355 ( 0.000 2.120 6.124) 6.481 10.573 ( 0.000 -6.096 -7.864) 9.950 10.809 ( 0.000 6.345 -10.479) 12.251 11.060 ( 0.000 6.308 -0.736) 6.350 11.234 ( 0.000 12.405 -0.019) 12.405 11.442 ( 0.000 3.662 -5.320) 6.458 11.526 ( 0.000 -0.301 -9.076) 9.081 12.139 ( 0.000 0.051 4.486) 4.486 12.222 ( 0.000 -3.313 6.973) 7.720 12.368 ( 0.000 2.555 7.652) 8.068 12.548 ( 0.000 -1.059 -3.912) 4.053 12.717 ( 0.000 4.266 6.826) 8.049 12.857 ( 0.000 -6.914 0.333) 6.922 12.968 ( 0.000 -2.041 1.943) 2.818 13.225 ( 0.000 -9.831 2.069) 10.046 13.378 ( 0.000 -4.869 -1.716) 5.162 13.698 ( 0.000 4.651 -2.361) 5.215 13.731 ( 0.000 11.018 5.050) 12.121 14.335 ( 0.000 1.085 -14.014) 14.056 14.389 ( 0.000 -0.609 -4.895) 4.932 14.404 ( 0.000 1.866 -18.567) 18.661 15.113 ( 0.000 -2.714 16.192) 16.418 15.722 ( 0.000 -0.142 5.270) 5.272 16.010 ( 0.000 -6.307 -9.852) 11.698 16.317 ( 0.000 -4.285 -5.886) 7.280 16.637 ( 0.000 0.476 11.405) 11.415 16.729 ( 0.000 -7.998 -2.408) 8.352 16.814 ( 0.000 -8.088 -1.432) 8.214 17.126 ( 0.000 -3.854 -1.041) 3.992 17.444 ( 0.000 -2.355 7.079) 7.461 17.547 ( 0.000 -4.799 5.572) 7.354 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.25 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 6.270 7.441 21.774) 23.849 1.396 ( 7.029 20.476 16.062) 26.957 1.736 ( -10.822 18.430 8.611) 23.042 1.852 ( -11.087 4.174 10.141) 15.594 2.008 ( -0.097 -0.339 2.832) 2.854 2.035 ( -1.072 -0.998 3.486) 3.781 2.099 ( 3.160 7.209 -2.448) 8.243 2.185 ( -0.882 12.519 -3.870) 13.133 2.282 ( 5.248 3.803 11.866) 13.520 2.313 ( 2.069 -0.828 -1.493) 2.682 2.462 ( 3.360 3.759 -0.263) 5.049 2.563 ( -0.066 2.337 0.326) 2.360 2.581 ( -2.215 -0.063 -1.906) 2.923 2.708 ( -0.649 1.142 -1.381) 1.906 2.730 ( 3.817 3.238 3.304) 5.997 2.802 ( 0.258 4.432 -0.695) 4.494 2.865 ( 0.525 1.032 1.445) 1.852 2.977 ( -2.574 9.478 -3.843) 10.546 3.035 ( 0.594 10.004 -1.449) 10.126 3.233 ( 5.707 3.381 4.723) 8.144 3.237 ( 5.900 14.407 4.324) 16.157 3.351 ( 7.940 5.518 -3.237) 10.197 3.444 ( -0.952 17.775 1.982) 17.911 3.538 ( -1.280 12.434 1.384) 12.576 3.553 ( -6.053 6.409 -0.286) 8.820 3.725 ( -3.013 7.855 1.764) 8.596 3.826 ( -3.238 -3.796 -1.131) 5.116 3.989 ( -7.499 4.079 4.193) 9.511 4.066 ( -2.727 -2.387 -1.021) 3.765 4.073 ( 0.025 -1.632 -0.622) 1.747 4.130 ( -9.482 1.446 5.115) 10.870 4.199 ( 0.977 -2.480 -1.228) 2.935 4.323 ( -1.144 -1.115 -5.597) 5.821 4.403 ( -0.190 1.343 -7.460) 7.582 4.535 ( -1.724 1.216 -1.714) 2.718 4.652 ( -3.133 6.097 -3.610) 7.748 4.835 ( 6.528 -0.025 -0.838) 6.582 4.937 ( 2.546 0.657 -6.651) 7.152 5.075 ( 4.761 4.160 -3.822) 7.388 5.113 ( 9.302 -0.610 2.265) 9.593 5.173 ( -1.226 2.147 0.894) 2.629 5.305 ( -0.795 2.612 0.919) 2.881 5.423 ( -2.116 7.282 1.295) 7.693 5.518 ( -2.456 3.554 -0.205) 4.325 5.628 ( 2.157 3.049 -0.413) 3.757 5.670 ( -0.381 3.381 0.455) 3.433 5.772 ( 3.928 2.941 1.859) 5.248 5.932 ( -2.426 7.682 1.963) 8.292 6.276 ( 5.648 14.827 9.542) 18.515 6.517 ( -6.086 10.531 1.127) 12.215 6.774 ( 3.563 -2.882 -1.882) 4.954 6.879 ( 3.627 0.741 1.051) 3.848 6.997 ( 0.893 2.121 -2.524) 3.416 7.071 ( 2.048 -2.391 -6.260) 7.008 7.141 ( -1.264 -1.219 -5.419) 5.696 7.185 ( -0.753 -0.177 -4.312) 4.381 7.405 ( 5.432 1.116 -0.115) 5.547 7.575 ( -6.353 2.522 3.094) 7.503 7.690 ( -6.509 7.395 1.918) 10.037 7.749 ( -4.870 7.880 1.596) 9.400 7.849 ( 0.438 4.134 -3.510) 5.441 7.928 ( -3.583 5.694 -2.677) 7.240 8.570 ( 5.875 3.339 -3.141) 7.452 8.598 ( 6.038 3.023 0.247) 6.757 8.760 ( 7.196 -3.197 6.053) 9.932 8.859 ( 1.258 7.426 -1.910) 7.770 8.939 ( 1.811 10.320 2.438) 10.757 9.056 ( -0.934 11.738 -0.633) 11.792 9.141 ( -5.271 6.627 -3.730) 9.253 9.186 ( -1.519 8.478 -1.275) 8.707 9.552 ( 3.091 5.056 1.233) 6.053 9.585 ( -3.663 6.825 0.176) 7.748 9.746 ( -10.117 3.732 -0.851) 10.817 9.931 ( -0.718 9.923 -1.343) 10.039 10.021 ( -2.003 3.098 9.327) 10.031 10.240 ( 7.580 6.097 -2.906) 10.153 10.307 ( 1.608 1.694 0.365) 2.364 10.470 ( 1.910 8.052 1.493) 8.409 10.560 ( 1.076 -7.013 -7.418) 10.265 10.753 ( -5.565 3.472 -9.656) 11.673 11.060 ( 0.370 6.634 0.957) 6.713 11.184 ( -4.295 9.874 0.995) 10.814 11.449 ( 0.803 2.928 -5.106) 5.941 11.506 ( -1.583 0.464 -7.038) 7.228 12.161 ( 2.235 -4.097 4.524) 6.500 12.283 ( 3.211 -2.210 4.032) 5.609 12.361 ( 0.353 -3.023 9.607) 10.077 12.553 ( -1.307 -0.665 1.169) 1.875 12.725 ( 3.483 2.885 -1.035) 4.640 12.898 ( 0.684 -2.090 -3.047) 3.758 12.975 ( 2.540 -5.794 5.196) 8.187 13.199 ( -3.873 -9.597 2.067) 10.554 13.364 ( 1.197 -2.621 0.194) 2.888 13.575 ( -6.423 2.577 -0.611) 6.947 13.911 ( 10.879 8.946 -0.834) 14.109 14.312 ( -6.605 5.985 -20.424) 22.285 14.337 ( -1.037 -1.521 -6.723) 6.970 14.373 ( -1.532 -0.470 -3.698) 4.030 15.202 ( 7.819 -1.896 11.730) 14.224 15.587 ( -9.813 -0.220 4.470) 10.786 16.132 ( 8.253 -6.867 -7.714) 13.220 16.320 ( -0.372 -5.396 -6.438) 8.408 16.617 ( -0.579 -2.348 7.576) 7.953 16.721 ( -2.238 -4.232 -1.706) 5.082 16.848 ( 3.683 -7.247 0.612) 8.152 17.054 ( -5.664 -3.016 2.058) 6.739 17.472 ( 2.071 -3.052 6.518) 7.489 17.537 ( -0.964 -4.471 6.093) 7.619 ======================= Grid point 97 (36/60) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -13.786 11.808 12.744) 22.179 1.496 ( 13.786 11.808 12.744) 22.179 1.575 ( -11.254 15.724 13.420) 23.537 1.575 ( 11.254 15.724 13.420) 23.537 2.018 ( -0.939 -1.065 2.327) 2.726 2.018 ( 0.939 -1.065 2.327) 2.726 2.145 ( -2.046 6.832 -5.103) 8.770 2.145 ( 2.046 6.832 -5.103) 8.770 2.310 ( -1.677 -2.246 -3.108) 4.185 2.310 ( 1.677 -2.246 -3.108) 4.185 2.552 ( -2.770 2.584 0.947) 3.905 2.552 ( 2.770 2.584 0.947) 3.905 2.644 ( -5.429 7.628 1.498) 9.482 2.644 ( 5.429 7.628 1.498) 9.482 2.778 ( -3.982 -0.905 0.542) 4.120 2.778 ( 3.982 -0.905 0.542) 4.120 2.940 ( -2.353 10.521 -3.650) 11.382 2.940 ( 2.353 10.521 -3.650) 11.382 3.179 ( -12.882 4.587 13.250) 19.040 3.179 ( 12.882 4.587 13.250) 19.040 3.359 ( -4.759 12.551 4.273) 14.087 3.359 ( 4.759 12.551 4.273) 14.087 3.486 ( -1.322 1.838 -3.527) 4.191 3.486 ( 1.322 1.838 -3.527) 4.191 3.571 ( -8.511 17.072 7.537) 20.511 3.571 ( 8.511 17.072 7.537) 20.511 3.784 ( -0.983 3.369 0.148) 3.513 3.784 ( 0.983 3.369 0.148) 3.513 4.073 ( -1.441 -2.273 -2.699) 3.811 4.073 ( 1.441 -2.273 -2.699) 3.811 4.157 ( -3.893 -1.096 -0.301) 4.055 4.157 ( 3.893 -1.096 -0.301) 4.055 4.360 ( -3.397 -3.709 -5.232) 7.257 4.360 ( 3.397 -3.709 -5.232) 7.257 4.571 ( -4.077 5.583 -4.156) 8.066 4.571 ( 4.077 5.583 -4.156) 8.066 4.929 ( -2.498 1.679 -3.832) 4.872 4.929 ( 2.498 1.679 -3.832) 4.872 5.136 ( -2.073 0.296 -4.186) 4.681 5.136 ( 2.073 0.296 -4.186) 4.681 5.257 ( -3.755 3.802 -0.696) 5.389 5.257 ( 3.755 3.802 -0.696) 5.389 5.458 ( -4.010 3.758 3.668) 6.607 5.458 ( 4.010 3.758 3.668) 6.607 5.659 ( -0.930 2.159 -0.099) 2.352 5.659 ( 0.930 2.159 -0.099) 2.352 5.856 ( -4.546 5.851 2.788) 7.917 5.856 ( 4.546 5.851 2.788) 7.917 6.401 ( -6.047 14.017 3.045) 15.566 6.401 ( 6.047 14.017 3.045) 15.566 6.847 ( -4.018 -2.226 -0.418) 4.613 6.847 ( 4.018 -2.226 -0.418) 4.613 7.081 ( -3.311 0.994 -4.703) 5.837 7.081 ( 3.311 0.994 -4.703) 5.837 7.148 ( -2.728 -1.832 -6.003) 6.843 7.148 ( 2.728 -1.832 -6.003) 6.843 7.490 ( -2.414 1.188 4.648) 5.371 7.490 ( 2.414 1.188 4.648) 5.371 7.639 ( -4.142 8.191 4.658) 10.293 7.639 ( 4.142 8.191 4.658) 10.293 7.867 ( -1.850 4.620 -6.167) 7.925 7.867 ( 1.850 4.620 -6.167) 7.925 8.658 ( -2.871 3.801 -5.867) 7.558 8.658 ( 2.871 3.801 -5.867) 7.558 8.899 ( -5.447 3.976 5.237) 8.539 8.899 ( 5.447 3.976 5.237) 8.539 8.961 ( -7.598 5.597 3.498) 10.065 8.961 ( 7.598 5.597 3.498) 10.065 9.129 ( -3.636 11.219 -1.405) 11.877 9.129 ( 3.636 11.219 -1.405) 11.877 9.564 ( -3.886 5.206 -0.296) 6.503 9.564 ( 3.886 5.206 -0.296) 6.503 9.727 ( -11.268 12.177 5.229) 17.395 9.727 ( 11.268 12.177 5.229) 17.395 10.177 ( -10.163 1.357 -2.568) 10.570 10.177 ( 10.163 1.357 -2.568) 10.570 10.465 ( -6.428 1.617 -6.207) 9.080 10.465 ( 6.428 1.617 -6.207) 9.080 10.600 ( -7.402 5.696 -5.449) 10.813 10.600 ( 7.402 5.696 -5.449) 10.813 11.100 ( -3.566 6.241 2.258) 7.534 11.100 ( 3.566 6.241 2.258) 7.534 11.474 ( -1.545 1.549 -5.114) 5.563 11.474 ( 1.545 1.549 -5.114) 5.563 12.233 ( -4.634 -5.066 5.094) 8.549 12.233 ( 4.634 -5.066 5.094) 8.549 12.466 ( -6.541 -3.510 5.528) 9.255 12.466 ( 6.541 -3.510 5.528) 9.255 12.836 ( -5.595 1.405 -4.444) 7.282 12.836 ( 5.595 1.405 -4.444) 7.282 13.083 ( -6.598 -8.380 3.933) 11.368 13.083 ( 6.598 -8.380 3.933) 11.368 13.447 ( -6.025 -1.008 -0.400) 6.122 13.447 ( 6.025 -1.008 -0.400) 6.122 14.129 ( -10.471 6.894 -7.817) 14.774 14.129 ( 10.471 6.894 -7.817) 14.774 14.344 ( -1.111 0.055 -6.643) 6.735 14.344 ( 1.111 0.055 -6.643) 6.735 15.386 ( -9.975 -0.711 6.684) 12.029 15.386 ( 9.975 -0.711 6.684) 12.029 16.270 ( -4.970 -7.110 -6.616) 10.910 16.270 ( 4.970 -7.110 -6.616) 10.910 16.650 ( -3.640 -3.143 1.873) 5.162 16.650 ( 3.640 -3.143 1.873) 5.162 16.942 ( -5.276 -4.018 2.636) 7.136 16.942 ( 5.276 -4.018 2.636) 7.136 17.510 ( -1.670 -3.842 6.575) 7.797 17.510 ( 1.670 -3.842 6.575) 7.797 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 9.148 19.768) 21.782 1.583 ( 0.000 11.896 16.588) 20.412 1.925 ( 0.000 -1.590 8.664) 8.808 1.991 ( 0.000 -0.943 2.672) 2.834 2.066 ( 0.000 -0.164 4.808) 4.810 2.098 ( 0.000 1.397 -0.331) 1.436 2.103 ( 0.000 3.599 -0.682) 3.663 2.328 ( 0.000 -1.206 0.580) 1.338 2.382 ( 0.000 0.567 -6.084) 6.110 2.457 ( 0.000 -0.790 5.028) 5.090 2.556 ( 0.000 8.890 7.678) 11.747 2.568 ( 0.000 6.408 0.139) 6.409 2.698 ( 0.000 11.395 0.718) 11.418 2.722 ( 0.000 4.043 -2.785) 4.909 2.787 ( 0.000 8.378 -6.674) 10.711 2.878 ( 0.000 2.290 1.328) 2.647 3.004 ( 0.000 11.655 5.706) 12.976 3.119 ( 0.000 2.854 2.066) 3.523 3.173 ( 0.000 5.109 0.426) 5.127 3.220 ( 0.000 10.849 -3.437) 11.381 3.268 ( 0.000 7.582 1.992) 7.839 3.412 ( 0.000 -13.066 -3.140) 13.438 3.653 ( 0.000 8.099 2.384) 8.443 3.735 ( 0.000 -0.144 -3.187) 3.190 3.851 ( 0.000 1.489 -3.427) 3.736 3.859 ( 0.000 4.451 -4.531) 6.352 4.007 ( 0.000 7.959 3.212) 8.583 4.014 ( 0.000 -6.808 -2.076) 7.118 4.066 ( 0.000 12.195 -0.519) 12.206 4.113 ( 0.000 13.915 5.753) 15.057 4.174 ( 0.000 17.468 4.494) 18.037 4.382 ( 0.000 -0.109 -3.139) 3.141 4.467 ( 0.000 8.466 -2.974) 8.973 4.571 ( 0.000 3.396 3.643) 4.981 4.642 ( 0.000 0.302 -0.946) 0.993 4.714 ( 0.000 1.486 -0.252) 1.507 4.760 ( 0.000 6.407 2.871) 7.021 4.827 ( 0.000 6.520 0.056) 6.520 5.136 ( 0.000 4.530 -3.701) 5.850 5.140 ( 0.000 7.300 -5.988) 9.442 5.312 ( 0.000 5.250 -2.255) 5.714 5.313 ( 0.000 8.820 5.461) 10.374 5.570 ( 0.000 -2.736 5.516) 6.158 5.631 ( 0.000 11.464 3.852) 12.094 5.708 ( 0.000 3.951 3.098) 5.020 5.760 ( 0.000 2.843 4.027) 4.930 5.799 ( 0.000 10.157 -6.347) 11.977 6.080 ( 0.000 3.245 -0.476) 3.280 6.542 ( 0.000 -5.482 -5.657) 7.878 6.621 ( 0.000 20.829 -1.401) 20.876 6.763 ( 0.000 -3.272 -2.327) 4.015 6.923 ( 0.000 5.834 -6.775) 8.941 7.031 ( 0.000 2.697 -4.755) 5.467 7.066 ( 0.000 3.883 -2.181) 4.454 7.114 ( 0.000 -2.180 -6.715) 7.060 7.177 ( 0.000 -2.202 -0.468) 2.251 7.453 ( 0.000 13.647 7.136) 15.400 7.774 ( 0.000 5.872 2.081) 6.229 7.857 ( 0.000 7.675 1.530) 7.826 8.010 ( 0.000 11.011 -7.693) 13.432 8.095 ( 0.000 18.367 4.022) 18.803 8.110 ( 0.000 9.000 -1.108) 9.068 8.438 ( 0.000 -0.300 7.086) 7.092 8.602 ( 0.000 -4.387 3.909) 5.876 8.657 ( 0.000 4.495 -6.263) 7.709 8.900 ( 0.000 -5.002 -7.410) 8.941 9.053 ( 0.000 7.748 2.587) 8.169 9.246 ( 0.000 -2.245 -8.673) 8.959 9.390 ( 0.000 14.339 5.679) 15.423 9.457 ( 0.000 14.291 0.407) 14.297 9.644 ( 0.000 20.445 0.119) 20.445 9.890 ( 0.000 13.581 1.013) 13.619 9.982 ( 0.000 5.128 2.359) 5.645 10.035 ( 0.000 -3.537 3.579) 5.031 10.119 ( 0.000 10.032 5.364) 11.376 10.259 ( 0.000 16.467 6.013) 17.531 10.494 ( 0.000 12.194 8.744) 15.005 10.516 ( 0.000 14.090 -1.117) 14.134 10.588 ( 0.000 4.271 -2.195) 4.802 10.995 ( 0.000 12.343 -11.416) 16.813 11.197 ( 0.000 7.340 -3.643) 8.195 11.499 ( 0.000 14.345 -3.349) 14.731 11.525 ( 0.000 3.902 -7.644) 8.582 11.531 ( 0.000 1.954 -6.701) 6.980 12.136 ( 0.000 -5.206 5.266) 7.405 12.164 ( 0.000 1.953 0.422) 1.998 12.383 ( 0.000 -0.819 7.113) 7.160 12.503 ( 0.000 -4.947 2.655) 5.615 12.685 ( 0.000 -8.797 -3.033) 9.305 12.704 ( 0.000 -5.694 2.603) 6.261 12.891 ( 0.000 -7.004 1.449) 7.152 13.026 ( 0.000 -10.787 0.836) 10.819 13.356 ( 0.000 2.651 -8.214) 8.631 13.762 ( 0.000 2.265 -8.899) 9.183 13.948 ( 0.000 10.475 8.853) 13.715 14.280 ( 0.000 -6.085 -6.953) 9.240 14.394 ( 0.000 2.190 -5.700) 6.106 14.532 ( 0.000 10.010 -17.416) 20.088 15.055 ( 0.000 -2.490 16.478) 16.665 15.735 ( 0.000 1.434 -2.344) 2.748 15.828 ( 0.000 -12.379 -7.829) 14.647 16.195 ( 0.000 -8.399 -7.125) 11.014 16.494 ( 0.000 -15.621 -2.718) 15.856 16.604 ( 0.000 -12.891 -3.810) 13.442 16.661 ( 0.000 2.142 13.676) 13.843 17.067 ( 0.000 -1.844 2.341) 2.980 17.379 ( 0.000 -4.257 6.789) 8.013 17.427 ( 0.000 -7.503 7.108) 10.335 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 6.726 10.579 16.720) 20.897 1.694 ( 8.257 10.231 12.639) 18.237 1.892 ( -4.429 2.886 9.219) 10.628 1.949 ( -5.374 0.634 3.136) 6.254 2.022 ( -1.202 0.013 1.861) 2.215 2.053 ( -2.897 5.438 2.384) 6.607 2.139 ( 1.377 -0.720 -1.190) 1.957 2.256 ( -2.319 -1.583 -0.431) 2.840 2.318 ( -9.641 -1.243 -3.760) 10.423 2.385 ( -7.404 1.765 -0.166) 7.613 2.566 ( 7.097 1.259 -0.463) 7.223 2.698 ( 5.568 3.524 5.082) 8.322 2.730 ( 5.239 2.467 -0.102) 5.791 2.747 ( 0.769 9.809 -1.330) 9.928 2.773 ( 2.212 8.048 -1.001) 8.406 2.860 ( -1.506 7.501 2.995) 8.216 3.014 ( -0.495 18.235 4.777) 18.856 3.123 ( -1.767 3.236 -1.027) 3.827 3.227 ( 2.883 4.641 1.768) 5.743 3.282 ( 7.875 4.924 0.190) 9.289 3.297 ( 1.965 -1.810 0.043) 2.672 3.457 ( 3.258 -2.958 0.147) 4.403 3.604 ( -1.376 4.886 2.058) 5.477 3.729 ( -4.698 7.411 -0.503) 8.789 3.796 ( -4.125 0.999 -0.311) 4.256 3.871 ( 1.172 2.433 -1.839) 3.268 3.951 ( -5.819 7.375 0.875) 9.434 4.015 ( -5.046 -1.263 2.314) 5.693 4.068 ( 3.449 -0.200 -2.549) 4.293 4.074 ( 0.715 16.108 0.986) 16.154 4.194 ( 1.520 14.648 4.040) 15.270 4.309 ( -5.657 0.868 -1.563) 5.932 4.438 ( -6.736 17.171 4.172) 18.911 4.471 ( -4.566 8.831 -4.097) 10.753 4.565 ( 3.557 3.486 -0.856) 5.053 4.762 ( -2.286 3.773 -1.080) 4.542 4.843 ( 7.119 1.669 0.421) 7.324 4.967 ( 6.770 2.721 -5.468) 9.118 5.123 ( 0.184 1.209 -2.908) 3.155 5.170 ( 0.369 1.495 -2.875) 3.261 5.254 ( 0.859 10.585 0.368) 10.627 5.359 ( 0.252 5.403 4.195) 6.845 5.577 ( -0.548 3.860 5.065) 6.392 5.624 ( -1.274 10.746 0.882) 10.857 5.720 ( 1.489 2.947 1.250) 3.530 5.782 ( 3.434 2.809 3.220) 5.481 5.805 ( 0.560 8.336 -1.837) 8.554 6.041 ( -4.051 3.060 1.584) 5.318 6.538 ( 1.374 -0.562 -7.191) 7.343 6.646 ( -1.671 7.362 -3.278) 8.230 6.785 ( 5.472 6.037 -2.523) 8.530 6.983 ( 1.800 4.966 -6.047) 8.029 7.026 ( -0.405 -0.959 -3.559) 3.708 7.062 ( 1.598 4.734 -3.501) 6.100 7.098 ( -1.160 -2.486 -6.271) 6.845 7.168 ( -1.111 -1.356 -1.440) 2.269 7.511 ( 4.655 12.500 6.156) 14.690 7.661 ( -6.899 7.393 3.336) 10.648 7.849 ( -4.154 8.447 -1.539) 9.538 7.907 ( -2.356 9.359 3.979) 10.439 8.048 ( -4.562 12.978 2.336) 13.954 8.096 ( -3.414 13.107 -4.003) 14.123 8.605 ( 11.319 1.783 0.763) 11.484 8.681 ( 7.241 0.670 -3.468) 8.056 8.693 ( 2.746 -0.380 1.811) 3.311 8.901 ( 2.574 -2.902 -0.901) 3.983 9.058 ( -2.178 5.071 2.038) 5.883 9.214 ( -3.419 3.254 -2.796) 5.486 9.412 ( 2.496 15.123 4.081) 15.862 9.498 ( 1.966 19.830 -0.278) 19.929 9.703 ( 6.621 16.449 1.106) 17.766 9.857 ( -5.555 9.643 -0.219) 11.131 9.898 ( -5.098 16.074 1.882) 16.968 10.067 ( 8.347 7.397 1.056) 11.203 10.204 ( -2.232 13.837 9.213) 16.773 10.303 ( 7.087 -0.557 1.827) 7.340 10.444 ( -2.716 7.137 -4.646) 8.938 10.477 ( -2.576 8.356 -5.735) 10.457 10.669 ( 4.635 11.565 4.158) 13.135 10.865 ( -7.668 7.640 -7.075) 12.932 11.237 ( 1.210 11.341 -2.983) 11.789 11.377 ( -8.503 8.293 -3.645) 12.425 11.527 ( 0.200 5.576 -5.011) 7.500 11.554 ( 0.122 5.252 -6.873) 8.651 12.090 ( -1.092 -3.503 2.496) 4.438 12.241 ( 1.116 -1.946 -0.557) 2.312 12.271 ( -3.959 -5.964 9.271) 11.713 12.484 ( -4.672 -7.275 7.110) 11.194 12.711 ( 4.796 -3.643 -3.794) 7.119 12.793 ( 5.619 -8.272 1.356) 10.091 12.870 ( -1.664 -6.333 -0.825) 6.600 13.017 ( -1.838 -9.556 -0.315) 9.736 13.356 ( 1.272 2.772 -5.883) 6.627 13.615 ( -9.801 2.093 -4.101) 10.829 14.081 ( 8.503 7.156 2.699) 11.437 14.272 ( -0.940 -5.155 -6.345) 8.229 14.390 ( -0.183 3.480 -5.863) 6.821 14.478 ( -4.319 10.622 -10.568) 15.594 15.165 ( 9.447 -1.265 9.943) 13.773 15.586 ( -9.769 -0.249 -1.780) 9.933 15.950 ( 7.062 -11.282 -6.089) 14.637 16.166 ( -3.020 -10.505 -6.377) 12.655 16.490 ( 0.697 -11.238 -1.389) 11.345 16.586 ( -1.969 -11.274 -4.547) 12.315 16.738 ( 6.451 -0.947 10.232) 12.133 17.007 ( -5.295 -1.341 4.255) 6.924 17.392 ( 0.960 -5.094 6.847) 8.588 17.423 ( -0.440 -7.204 7.275) 10.248 ======================= Grid point 102 (39/60) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -14.611 9.057 10.348) 20.065 1.661 ( 14.611 9.057 10.348) 20.065 1.851 ( -6.126 7.642 7.730) 12.477 1.851 ( 6.126 7.642 7.730) 12.477 2.017 ( -0.338 1.607 2.269) 2.801 2.017 ( 0.338 1.607 2.269) 2.801 2.166 ( -3.138 -2.787 -2.797) 5.044 2.166 ( 3.138 -2.787 -2.797) 5.044 2.278 ( -3.858 -0.730 -0.957) 4.041 2.278 ( 3.858 -0.730 -0.957) 4.041 2.693 ( -4.476 1.576 -1.103) 4.871 2.693 ( 4.476 1.576 -1.103) 4.871 2.753 ( -1.781 4.070 -1.849) 4.812 2.753 ( 1.781 4.070 -1.849) 4.812 2.862 ( -1.699 10.874 2.068) 11.198 2.862 ( 1.699 10.874 2.068) 11.198 3.063 ( -5.834 7.617 4.308) 10.517 3.063 ( 5.834 7.617 4.308) 10.517 3.278 ( -2.655 -3.606 0.731) 4.537 3.278 ( 2.655 -3.606 0.731) 4.537 3.454 ( -7.160 12.417 5.606) 15.391 3.454 ( 7.160 12.417 5.606) 15.391 3.605 ( -2.024 -0.739 1.446) 2.595 3.605 ( 2.024 -0.739 1.446) 2.595 3.801 ( -6.289 7.080 4.203) 10.361 3.801 ( 6.289 7.080 4.203) 10.361 3.920 ( -3.674 1.143 -4.063) 5.595 3.920 ( 3.674 1.143 -4.063) 5.595 4.136 ( -1.607 10.621 -3.570) 11.320 4.136 ( 1.607 10.621 -3.570) 11.320 4.200 ( -3.556 2.020 2.625) 4.859 4.200 ( 3.556 2.020 2.625) 4.859 4.397 ( -2.355 15.841 -0.033) 16.015 4.397 ( 2.355 15.841 -0.033) 16.015 4.670 ( -5.662 4.572 -1.698) 7.473 4.670 ( 5.662 4.572 -1.698) 7.473 4.974 ( -4.333 2.790 -3.503) 6.231 4.974 ( 4.333 2.790 -3.503) 6.231 5.150 ( -1.610 0.650 -2.556) 3.090 5.150 ( 1.610 0.650 -2.556) 3.090 5.326 ( -3.743 5.194 1.494) 6.574 5.326 ( 3.743 5.194 1.494) 6.574 5.580 ( -1.753 7.905 3.877) 8.977 5.580 ( 1.753 7.905 3.877) 8.977 5.766 ( -2.477 6.882 -1.866) 7.548 5.766 ( 2.477 6.882 -1.866) 7.548 5.923 ( -7.277 2.229 4.246) 8.715 5.923 ( 7.277 2.229 4.246) 8.715 6.590 ( -3.117 1.528 -6.251) 7.150 6.590 ( 3.117 1.528 -6.251) 7.150 6.914 ( -5.870 8.263 -3.077) 10.592 6.914 ( 5.870 8.263 -3.077) 10.592 7.064 ( -2.299 -3.066 -6.201) 7.290 7.064 ( 2.299 -3.066 -6.201) 7.290 7.126 ( -3.155 0.522 -3.894) 5.039 7.126 ( 3.155 0.522 -3.894) 5.039 7.576 ( -1.943 9.067 5.265) 10.663 7.576 ( 1.943 9.067 5.265) 10.663 7.840 ( -4.607 11.918 4.961) 13.707 7.840 ( 4.607 11.918 4.961) 13.707 8.019 ( -2.928 11.305 -2.570) 11.957 8.019 ( 2.928 11.305 -2.570) 11.957 8.718 ( -0.854 1.148 -4.416) 4.642 8.718 ( 0.854 1.148 -4.416) 4.642 8.870 ( -10.321 -1.018 2.202) 10.603 8.870 ( 10.321 -1.018 2.202) 10.603 9.101 ( -8.248 4.756 3.374) 10.101 9.101 ( 8.248 4.756 3.374) 10.101 9.472 ( -3.480 20.777 3.858) 21.416 9.472 ( 3.480 20.777 3.858) 21.416 9.771 ( -2.339 14.799 -2.688) 15.221 9.771 ( 2.339 14.799 -2.688) 15.221 10.024 ( -13.346 17.318 5.371) 22.514 10.024 ( 13.346 17.318 5.371) 22.514 10.237 ( -8.016 6.260 -2.100) 10.385 10.237 ( 8.016 6.260 -2.100) 10.385 10.489 ( -5.881 1.429 -6.821) 9.119 10.489 ( 5.881 1.429 -6.821) 9.119 10.748 ( -7.875 8.215 -2.081) 11.568 10.748 ( 7.875 8.215 -2.081) 11.568 11.252 ( -2.655 9.628 -0.095) 9.988 11.252 ( 2.655 9.628 -0.095) 9.988 11.540 ( -1.042 5.578 -5.774) 8.095 11.540 ( 1.042 5.578 -5.774) 8.095 12.123 ( -4.576 -5.859 2.536) 7.855 12.123 ( 4.576 -5.859 2.536) 7.855 12.367 ( -6.157 -6.325 6.412) 10.910 12.367 ( 6.157 -6.325 6.412) 10.910 12.801 ( -3.666 -7.475 -0.359) 8.333 12.801 ( 3.666 -7.475 -0.359) 8.333 12.934 ( -6.015 -5.708 -2.666) 8.710 12.934 ( 6.015 -5.708 -2.666) 8.710 13.440 ( -6.990 1.473 -3.265) 7.855 13.440 ( 6.990 1.473 -3.265) 7.855 14.222 ( -4.814 0.141 -2.773) 5.558 14.222 ( 4.814 0.141 -2.773) 5.558 14.404 ( -2.162 8.295 -5.786) 10.342 14.404 ( 2.162 8.295 -5.786) 10.342 15.377 ( -10.938 0.047 2.682) 11.262 15.377 ( 10.938 0.047 2.682) 11.262 16.078 ( -5.581 -12.329 -5.485) 14.603 16.078 ( 5.581 -12.329 -5.485) 14.603 16.532 ( -3.008 -9.547 -3.298) 10.538 16.532 ( 3.008 -9.547 -3.298) 10.538 16.879 ( -7.104 -1.452 6.899) 10.009 16.879 ( 7.104 -1.452 6.899) 10.009 17.410 ( -0.815 -6.350 7.285) 9.698 17.410 ( 0.815 -6.350 7.285) 9.698 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 0.000 10.173 12.517) 16.130 1.795 ( 0.000 9.813 11.040) 14.771 1.884 ( 0.000 -1.988 5.008) 5.388 1.983 ( 0.000 0.032 2.096) 2.096 2.078 ( 0.000 2.421 5.627) 6.126 2.138 ( 0.000 2.722 0.918) 2.872 2.155 ( 0.000 1.650 0.937) 1.898 2.306 ( 0.000 -3.648 -2.036) 4.178 2.311 ( 0.000 0.293 1.921) 1.943 2.387 ( 0.000 -4.453 4.675) 6.456 2.600 ( 0.000 -0.540 1.230) 1.344 2.654 ( 0.000 -0.675 3.639) 3.701 2.726 ( 0.000 -3.203 -3.625) 4.838 2.784 ( 0.000 0.044 3.696) 3.696 2.907 ( 0.000 5.969 -5.931) 8.414 2.988 ( 0.000 0.469 -1.619) 1.685 3.091 ( 0.000 -0.886 1.020) 1.351 3.148 ( 0.000 -7.206 -2.592) 7.658 3.261 ( 0.000 9.069 3.254) 9.635 3.352 ( 0.000 4.318 2.231) 4.860 3.408 ( 0.000 7.273 -1.637) 7.455 3.559 ( 0.000 5.616 1.093) 5.722 3.606 ( 0.000 -6.569 -1.804) 6.812 3.640 ( 0.000 5.904 -4.264) 7.283 3.815 ( 0.000 -2.721 -0.580) 2.782 3.877 ( 0.000 -3.403 3.564) 4.928 3.941 ( 0.000 7.015 -1.087) 7.099 4.167 ( 0.000 6.441 -4.694) 7.971 4.293 ( 0.000 3.712 0.593) 3.759 4.347 ( 0.000 12.226 2.710) 12.523 4.389 ( 0.000 8.437 0.900) 8.485 4.559 ( 0.000 0.995 3.662) 3.795 4.591 ( 0.000 10.634 3.137) 11.087 4.667 ( 0.000 6.155 1.271) 6.284 4.680 ( 0.000 7.089 0.883) 7.143 4.776 ( 0.000 4.180 -3.935) 5.741 4.873 ( 0.000 4.407 0.334) 4.419 4.940 ( 0.000 3.455 1.988) 3.986 5.208 ( 0.000 4.764 -5.152) 7.017 5.217 ( 0.000 4.000 -0.021) 4.000 5.414 ( 0.000 -8.752 3.359) 9.375 5.495 ( 0.000 2.821 2.061) 3.494 5.556 ( 0.000 10.183 3.231) 10.683 5.731 ( 0.000 -1.277 1.202) 1.753 5.866 ( 0.000 8.644 4.596) 9.790 5.914 ( 0.000 17.006 4.674) 17.636 6.011 ( 0.000 12.202 -3.631) 12.731 6.145 ( 0.000 6.639 -0.596) 6.666 6.473 ( 0.000 -1.342 -5.215) 5.385 6.705 ( 0.000 -2.749 -0.634) 2.821 6.776 ( 0.000 -2.347 -4.444) 5.026 6.930 ( 0.000 -2.764 -5.238) 5.923 7.071 ( 0.000 0.413 -6.904) 6.917 7.071 ( 0.000 -2.283 -7.048) 7.408 7.126 ( 0.000 -2.084 0.345) 2.112 7.128 ( 0.000 0.617 -8.579) 8.601 7.858 ( 0.000 19.904 6.143) 20.831 7.898 ( 0.000 6.816 -1.679) 7.019 8.069 ( 0.000 14.141 5.381) 15.130 8.228 ( 0.000 11.732 -12.953) 17.476 8.236 ( 0.000 3.901 2.866) 4.841 8.438 ( 0.000 -0.462 4.810) 4.832 8.462 ( 0.000 15.984 2.308) 16.150 8.577 ( 0.000 3.624 1.742) 4.021 8.726 ( 0.000 2.084 -1.127) 2.369 8.790 ( 0.000 -5.390 -6.386) 8.356 9.146 ( 0.000 3.533 4.533) 5.747 9.167 ( 0.000 -1.985 -5.597) 5.939 9.588 ( 0.000 -0.624 6.027) 6.059 9.655 ( 0.000 7.254 17.374) 18.827 9.907 ( 0.000 -1.791 1.438) 2.297 10.026 ( 0.000 8.275 -3.593) 9.021 10.151 ( 0.000 14.181 10.316) 17.536 10.185 ( 0.000 21.556 2.164) 21.665 10.415 ( 0.000 17.695 4.527) 18.265 10.625 ( 0.000 10.017 -6.750) 12.079 10.723 ( 0.000 13.244 -4.519) 13.994 10.730 ( 0.000 12.186 9.995) 15.761 10.908 ( 0.000 24.977 0.263) 24.978 11.217 ( 0.000 8.001 -12.923) 15.199 11.324 ( 0.000 6.040 -4.445) 7.500 11.558 ( 0.000 0.971 -8.727) 8.780 11.667 ( 0.000 12.056 -4.573) 12.894 11.763 ( 0.000 12.638 -3.500) 13.114 12.051 ( 0.000 -2.406 2.594) 3.538 12.190 ( 0.000 0.156 -3.049) 3.053 12.305 ( 0.000 -13.737 6.206) 15.074 12.333 ( 0.000 -4.505 1.674) 4.806 12.552 ( 0.000 -8.102 3.108) 8.677 12.598 ( 0.000 -1.656 -3.140) 3.550 12.702 ( 0.000 -12.058 2.124) 12.243 12.807 ( 0.000 -12.113 0.133) 12.114 13.443 ( 0.000 5.783 -8.588) 10.353 13.799 ( 0.000 1.644 -13.221) 13.322 14.073 ( 0.000 1.427 0.368) 1.474 14.111 ( 0.000 -11.026 -6.016) 12.560 14.525 ( 0.000 11.963 0.645) 11.980 14.758 ( 0.000 13.070 -10.821) 16.969 15.060 ( 0.000 3.906 13.720) 14.265 15.546 ( 0.000 -16.495 -3.914) 16.953 15.749 ( 0.000 -1.736 -8.915) 9.083 15.993 ( 0.000 -12.681 -6.704) 14.344 16.189 ( 0.000 -13.500 -3.158) 13.864 16.354 ( 0.000 -11.950 -6.246) 13.484 16.731 ( 0.000 5.273 13.770) 14.746 17.055 ( 0.000 0.600 4.339) 4.380 17.261 ( 0.000 -9.654 8.742) 13.024 17.285 ( 0.000 -5.421 6.525) 8.483 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 6.869 10.486 9.479) 15.716 1.843 ( 3.372 5.262 8.381) 10.455 1.888 ( 1.000 -0.484 4.155) 4.301 1.975 ( -1.479 0.503 2.955) 3.342 2.067 ( -1.034 4.397 4.867) 6.641 2.115 ( -3.187 0.625 0.801) 3.345 2.136 ( -0.490 2.264 1.954) 3.031 2.228 ( -4.672 -0.933 -1.862) 5.116 2.292 ( -1.916 -0.103 1.203) 2.265 2.424 ( -8.726 3.248 4.287) 10.251 2.542 ( 6.165 -1.902 2.807) 7.036 2.671 ( 0.626 -3.795 3.117) 4.951 2.707 ( 1.658 -4.343 -1.598) 4.916 2.801 ( 1.904 0.390 2.167) 2.911 2.894 ( -2.374 2.436 -4.843) 5.918 3.024 ( -0.734 -6.874 2.909) 7.500 3.084 ( 1.128 1.426 0.233) 1.833 3.203 ( 3.001 -2.030 -4.253) 5.587 3.243 ( -0.778 6.946 0.832) 7.039 3.366 ( -2.470 7.916 -2.049) 8.541 3.429 ( 5.078 1.161 2.655) 5.847 3.564 ( -0.761 -1.501 -2.300) 2.850 3.617 ( 4.994 8.157 3.065) 10.043 3.704 ( 2.016 -6.954 -3.478) 8.032 3.823 ( 3.692 6.345 0.808) 7.386 3.916 ( 2.699 -0.294 1.911) 3.320 3.920 ( -2.535 1.058 -1.369) 3.069 4.064 ( -7.744 8.834 -0.361) 11.753 4.160 ( -10.210 9.604 4.390) 14.689 4.268 ( -6.701 -0.695 -0.861) 6.791 4.419 ( 2.598 11.697 -0.115) 11.983 4.535 ( -1.236 14.695 1.034) 14.783 4.655 ( 4.525 6.626 0.994) 8.085 4.685 ( 0.722 10.024 0.026) 10.050 4.713 ( 0.534 7.811 -0.943) 7.886 4.785 ( 1.442 0.518 1.248) 1.976 4.899 ( 2.752 2.228 3.717) 5.133 5.038 ( 8.194 1.640 -3.267) 8.972 5.143 ( -5.103 2.929 -2.131) 6.258 5.219 ( -0.125 5.170 -0.827) 5.237 5.404 ( -0.770 -1.449 2.184) 2.731 5.513 ( -4.029 7.536 2.656) 8.948 5.568 ( 5.702 -4.663 1.810) 7.585 5.708 ( -1.643 -0.281 -0.191) 1.677 5.880 ( 0.473 10.852 2.679) 11.188 5.918 ( 0.648 13.689 6.955) 15.368 6.010 ( 0.368 12.850 -1.886) 12.993 6.120 ( -2.629 7.612 1.828) 8.258 6.495 ( 2.616 -1.204 -5.885) 6.551 6.662 ( -3.653 -1.325 -1.349) 4.113 6.836 ( 4.771 -3.897 -4.094) 7.396 6.940 ( 0.546 -5.012 -4.594) 6.821 7.058 ( -1.310 0.670 -6.193) 6.365 7.071 ( -1.276 -0.164 -9.156) 9.246 7.101 ( 0.779 -2.140 -4.318) 4.882 7.147 ( -0.049 -0.896 -4.498) 4.587 7.830 ( -2.073 11.079 -1.510) 11.372 7.880 ( -1.803 16.289 5.728) 17.361 8.014 ( -6.173 8.416 -3.830) 11.117 8.144 ( 5.771 15.365 7.053) 17.865 8.218 ( -7.632 6.781 -3.785) 10.888 8.408 ( -3.547 13.224 3.846) 14.221 8.614 ( 7.573 -2.142 3.145) 8.475 8.660 ( 7.333 3.559 -1.784) 8.344 8.735 ( 1.529 0.733 -6.402) 6.623 8.875 ( 9.046 2.138 5.206) 10.653 9.111 ( -1.331 1.186 3.736) 4.139 9.258 ( -0.859 0.894 -5.052) 5.202 9.590 ( 10.495 5.128 9.384) 14.983 9.827 ( 6.934 13.162 4.425) 15.521 9.957 ( 1.109 1.638 2.848) 3.467 10.019 ( 2.185 4.209 4.212) 6.343 10.137 ( 4.697 11.227 -2.618) 12.448 10.276 ( 6.103 17.571 2.567) 18.777 10.378 ( -2.078 10.766 2.749) 11.304 10.526 ( -12.212 12.532 3.465) 17.838 10.664 ( -3.506 14.889 -0.134) 15.297 10.727 ( 3.823 17.171 -4.457) 18.147 10.916 ( -13.794 12.239 -6.617) 19.592 11.042 ( 0.091 10.976 0.645) 10.996 11.425 ( 1.313 5.807 -5.471) 8.086 11.542 ( -3.004 11.053 -1.984) 11.624 11.623 ( -0.222 5.231 -5.113) 7.318 11.740 ( -2.364 12.365 -4.685) 13.433 12.033 ( -1.330 -1.497 -0.588) 2.087 12.138 ( -9.025 -7.574 4.175) 12.500 12.209 ( 0.835 -2.139 -2.349) 3.285 12.309 ( -3.218 -8.749 3.537) 9.971 12.558 ( 1.276 -10.132 0.941) 10.255 12.643 ( -1.686 -10.121 2.505) 10.562 12.724 ( 4.307 -7.516 -3.239) 9.249 12.808 ( -0.141 -12.407 -0.438) 12.415 13.454 ( 1.838 6.946 -7.259) 10.213 13.686 ( -8.287 5.725 -8.991) 13.501 14.126 ( 2.794 -3.204 -4.252) 6.012 14.129 ( 1.413 -9.104 -6.729) 11.408 14.557 ( 3.148 13.480 1.856) 13.966 14.717 ( -3.404 14.133 -3.230) 14.892 15.179 ( 9.968 3.013 5.289) 11.680 15.512 ( -3.834 -10.220 -4.585) 11.839 15.766 ( 2.010 -5.955 -6.119) 8.772 15.939 ( -4.733 -11.503 -4.446) 13.210 16.227 ( 3.255 -14.724 -5.623) 16.094 16.341 ( -1.394 -12.815 -6.879) 14.612 16.781 ( 4.608 4.549 12.365) 13.958 17.007 ( -4.489 1.325 5.966) 7.583 17.264 ( 0.314 -9.135 8.638) 12.576 17.282 ( -0.335 -6.199 7.020) 9.371 ======================= Grid point 107 (42/60) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -8.508 6.285 4.214) 11.386 1.824 ( 8.508 6.285 4.214) 11.386 1.920 ( -2.045 1.410 5.166) 5.732 1.920 ( 2.045 1.410 5.166) 5.732 2.073 ( -1.461 3.759 2.386) 4.686 2.073 ( 1.461 3.759 2.386) 4.686 2.121 ( -1.601 -0.247 1.314) 2.086 2.121 ( 1.601 -0.247 1.314) 2.086 2.301 ( -2.880 3.238 2.134) 4.831 2.301 ( 2.880 3.238 2.134) 4.831 2.647 ( -2.905 -3.405 2.904) 5.336 2.647 ( 2.905 -3.405 2.904) 5.336 2.789 ( -4.690 -2.023 -3.120) 5.986 2.789 ( 4.690 -2.023 -3.120) 5.986 2.926 ( -6.847 -3.603 5.975) 9.776 2.926 ( 6.847 -3.603 5.975) 9.776 3.152 ( -3.891 -0.957 -2.884) 4.937 3.152 ( 3.891 -0.957 -2.884) 4.937 3.307 ( -3.262 8.641 -2.615) 9.599 3.307 ( 3.262 8.641 -2.615) 9.599 3.518 ( -3.590 -4.520 1.739) 6.028 3.518 ( 3.590 -4.520 1.739) 6.028 3.735 ( -2.995 0.239 -0.641) 3.072 3.735 ( 2.995 0.239 -0.641) 3.072 3.882 ( -4.133 2.095 1.510) 4.873 3.882 ( 4.133 2.095 1.510) 4.873 3.930 ( -5.666 14.678 1.202) 15.780 3.930 ( 5.666 14.678 1.202) 15.780 4.112 ( -6.362 -1.440 1.470) 6.687 4.112 ( 6.362 -1.440 1.470) 6.687 4.489 ( -3.386 15.948 -1.727) 16.395 4.489 ( 3.386 15.948 -1.727) 16.395 4.699 ( -0.780 9.184 -0.257) 9.221 4.699 ( 0.780 9.184 -0.257) 9.221 4.750 ( -3.991 4.328 1.665) 6.118 4.750 ( 3.991 4.328 1.665) 6.118 5.016 ( -7.165 0.048 1.299) 7.282 5.016 ( 7.165 0.048 1.299) 7.282 5.183 ( -4.672 4.108 -3.669) 7.223 5.183 ( 4.672 4.108 -3.669) 7.223 5.424 ( -3.551 2.146 3.197) 5.238 5.424 ( 3.551 2.146 3.197) 5.238 5.665 ( -3.298 -3.015 -0.255) 4.475 5.665 ( 3.298 -3.015 -0.255) 4.475 5.902 ( -1.903 12.000 3.579) 12.666 5.902 ( 1.903 12.000 3.579) 12.666 6.052 ( -3.494 11.015 2.982) 11.935 6.052 ( 3.494 11.015 2.982) 11.935 6.574 ( -4.763 -0.953 -3.951) 6.261 6.574 ( 4.763 -0.953 -3.951) 6.261 6.923 ( -2.989 -6.077 -3.450) 7.600 6.923 ( 2.989 -6.077 -3.450) 7.600 7.044 ( -0.780 0.640 -8.070) 8.133 7.044 ( 0.780 0.640 -8.070) 8.133 7.129 ( -1.468 -1.440 -5.731) 6.089 7.129 ( 1.468 -1.440 -5.731) 6.089 7.821 ( -2.043 13.560 1.550) 13.800 7.821 ( 2.043 13.560 1.550) 13.800 8.043 ( -7.071 7.881 -2.697) 10.926 8.043 ( 7.071 7.881 -2.697) 10.926 8.299 ( -7.520 16.419 6.451) 19.177 8.299 ( 7.520 16.419 6.451) 19.177 8.687 ( -1.591 -3.214 1.111) 3.754 8.687 ( 1.591 -3.214 1.111) 3.754 8.902 ( -9.547 3.790 -2.365) 10.541 8.902 ( 9.547 3.790 -2.365) 10.541 9.167 ( -7.416 1.785 4.217) 8.716 9.167 ( 7.416 1.785 4.217) 8.716 9.810 ( -8.183 14.197 7.735) 18.120 9.810 ( 8.183 14.197 7.735) 18.120 10.032 ( -9.459 10.621 -6.171) 15.503 10.032 ( 9.459 10.621 -6.171) 15.503 10.274 ( -5.048 6.326 -2.569) 8.491 10.274 ( 5.048 6.326 -2.569) 8.491 10.416 ( -1.570 4.706 4.579) 6.751 10.416 ( 1.570 4.706 4.579) 6.751 10.600 ( -8.297 16.284 -2.493) 18.445 10.600 ( 8.297 16.284 -2.493) 18.445 10.928 ( -11.694 11.812 -1.043) 16.655 10.928 ( 11.694 11.812 -1.043) 16.655 11.459 ( -4.278 10.623 2.887) 11.810 11.459 ( 4.278 10.623 2.887) 11.810 11.675 ( -3.585 7.182 -6.653) 10.426 11.675 ( 3.585 7.182 -6.653) 10.426 12.028 ( -1.769 -3.177 -0.804) 3.724 12.028 ( 1.769 -3.177 -0.804) 3.724 12.245 ( -2.613 -5.399 1.622) 6.213 12.245 ( 2.613 -5.399 1.622) 6.213 12.594 ( -2.292 -12.373 1.140) 12.635 12.594 ( 2.292 -12.373 1.140) 12.635 12.790 ( -1.923 -10.639 -2.396) 11.074 12.790 ( 1.923 -10.639 -2.396) 11.074 13.535 ( -6.144 8.392 -6.608) 12.323 13.535 ( 6.144 8.392 -6.608) 12.323 14.150 ( -0.311 -6.807 -6.861) 9.670 14.150 ( 0.311 -6.807 -6.861) 9.670 14.637 ( -4.355 14.808 1.879) 15.549 14.637 ( 4.355 14.808 1.879) 15.549 15.382 ( -8.987 -0.733 -2.280) 9.301 15.382 ( 8.987 -0.733 -2.280) 9.301 15.836 ( -4.809 -10.729 -3.407) 12.241 15.836 ( 4.809 -10.729 -3.407) 12.241 16.295 ( -3.110 -14.339 -7.361) 16.415 16.295 ( 3.110 -14.339 -7.361) 16.415 16.895 ( -6.209 2.883 9.246) 11.505 16.895 ( 6.209 2.883 9.246) 11.505 17.273 ( -0.481 -7.776 8.066) 11.214 17.273 ( 0.481 -7.776 8.066) 11.214 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.000 6.392 5.868) 8.677 1.826 ( 0.000 -2.862 4.513) 5.344 1.953 ( 0.000 4.305 2.974) 5.232 1.986 ( 0.000 -0.045 1.412) 1.412 2.160 ( 0.000 4.781 4.991) 6.912 2.181 ( 0.000 1.213 1.903) 2.257 2.182 ( 0.000 1.920 2.726) 3.335 2.254 ( 0.000 -3.767 1.460) 4.041 2.340 ( 0.000 2.866 4.501) 5.336 2.360 ( 0.000 3.428 5.770) 6.712 2.521 ( 0.000 -7.973 5.986) 9.970 2.546 ( 0.000 -5.534 4.456) 7.105 2.729 ( 0.000 1.414 1.775) 2.270 2.768 ( 0.000 -2.654 2.971) 3.984 2.892 ( 0.000 -1.720 1.684) 2.407 2.927 ( 0.000 -2.957 -0.101) 2.959 3.129 ( 0.000 3.820 -3.638) 5.275 3.149 ( 0.000 2.123 -4.468) 4.947 3.353 ( 0.000 -0.130 -6.053) 6.054 3.391 ( 0.000 -2.674 -5.635) 6.237 3.460 ( 0.000 -0.181 -5.487) 5.490 3.500 ( 0.000 -0.063 -3.652) 3.653 3.557 ( 0.000 4.137 -0.195) 4.142 3.663 ( 0.000 -5.036 -2.484) 5.615 3.779 ( 0.000 0.121 3.948) 3.950 3.819 ( 0.000 -3.131 6.038) 6.802 4.223 ( 0.000 7.365 -4.685) 8.729 4.253 ( 0.000 2.051 -6.507) 6.823 4.401 ( 0.000 7.776 8.259) 11.344 4.459 ( 0.000 0.402 7.679) 7.690 4.599 ( 0.000 14.307 2.791) 14.577 4.615 ( 0.000 3.833 1.495) 4.114 4.639 ( 0.000 0.998 1.063) 1.458 4.756 ( 0.000 -0.306 2.050) 2.073 4.836 ( 0.000 6.686 -2.966) 7.314 4.881 ( 0.000 6.287 -2.949) 6.945 4.938 ( 0.000 2.377 2.447) 3.412 4.949 ( 0.000 -1.031 0.606) 1.196 5.196 ( 0.000 -9.015 0.963) 9.066 5.246 ( 0.000 -10.636 -1.129) 10.696 5.309 ( 0.000 3.001 1.422) 3.321 5.349 ( 0.000 -3.795 0.215) 3.801 5.693 ( 0.000 3.622 -0.531) 3.660 5.725 ( 0.000 -0.331 -0.479) 0.582 6.067 ( 0.000 10.366 4.377) 11.252 6.183 ( 0.000 0.811 2.638) 2.759 6.219 ( 0.000 12.082 5.370) 13.222 6.291 ( 0.000 4.826 3.210) 5.796 6.530 ( 0.000 7.998 -6.477) 10.292 6.670 ( 0.000 -6.907 -3.493) 7.741 6.675 ( 0.000 1.602 0.067) 1.603 6.819 ( 0.000 -9.031 -2.949) 9.501 7.017 ( 0.000 -1.619 -4.423) 4.710 7.033 ( 0.000 -2.630 -3.637) 4.488 7.123 ( 0.000 0.612 -7.199) 7.225 7.131 ( 0.000 -0.147 -10.585) 10.586 8.014 ( 0.000 4.491 -1.966) 4.902 8.039 ( 0.000 2.468 0.288) 2.485 8.250 ( 0.000 1.654 3.882) 4.220 8.261 ( 0.000 -0.426 2.257) 2.297 8.452 ( 0.000 9.291 -12.821) 15.834 8.547 ( 0.000 11.761 4.629) 12.639 8.606 ( 0.000 -3.588 -9.400) 10.061 8.658 ( 0.000 -2.842 2.966) 4.108 8.685 ( 0.000 5.899 -1.104) 6.001 8.775 ( 0.000 -1.446 -0.110) 1.451 9.201 ( 0.000 3.603 1.553) 3.923 9.209 ( 0.000 2.543 4.367) 5.054 9.546 ( 0.000 -1.059 12.744) 12.787 9.609 ( 0.000 -6.316 19.064) 20.084 9.988 ( 0.000 5.552 1.295) 5.701 10.060 ( 0.000 -1.688 0.131) 1.693 10.446 ( 0.000 14.119 14.810) 20.461 10.554 ( 0.000 9.114 6.761) 11.348 10.634 ( 0.000 4.909 -0.679) 4.956 10.704 ( 0.000 0.111 -8.045) 8.046 10.978 ( 0.000 13.271 6.232) 14.661 11.004 ( 0.000 12.595 -5.020) 13.558 11.192 ( 0.000 1.057 -6.200) 6.289 11.244 ( 0.000 -4.729 -15.296) 16.011 11.488 ( 0.000 9.768 -6.394) 11.675 11.559 ( 0.000 -0.192 -8.401) 8.403 11.922 ( 0.000 2.281 2.976) 3.749 11.968 ( 0.000 12.922 -2.796) 13.221 12.044 ( 0.000 -6.821 5.423) 8.714 12.120 ( 0.000 8.488 0.518) 8.504 12.186 ( 0.000 -6.408 -6.334) 9.011 12.268 ( 0.000 8.381 0.491) 8.396 12.414 ( 0.000 -13.735 -0.715) 13.753 12.501 ( 0.000 -0.499 4.457) 4.485 12.544 ( 0.000 -9.841 -3.474) 10.436 12.565 ( 0.000 -8.140 2.310) 8.461 13.577 ( 0.000 8.516 -5.659) 10.224 13.764 ( 0.000 -8.522 -6.706) 10.844 13.958 ( 0.000 -0.234 -11.307) 11.309 14.028 ( 0.000 -4.667 -9.795) 10.850 14.814 ( 0.000 16.654 4.536) 17.260 14.996 ( 0.000 7.793 -6.077) 9.882 15.180 ( 0.000 4.980 3.455) 6.061 15.231 ( 0.000 -13.009 0.515) 13.019 15.628 ( 0.000 -6.201 -6.181) 8.756 15.727 ( 0.000 -13.400 -3.729) 13.909 16.080 ( 0.000 1.480 -7.522) 7.666 16.170 ( 0.000 -7.140 -8.815) 11.344 16.867 ( 0.000 8.739 12.792) 15.492 17.049 ( 0.000 -8.151 9.952) 12.864 17.106 ( 0.000 0.803 6.425) 6.474 17.180 ( 0.000 -5.113 6.216) 8.049 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.25 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 4.486 4.599 3.837) 7.483 1.843 ( 2.011 -1.769 3.269) 4.226 1.949 ( -0.772 2.557 2.292) 3.520 1.971 ( -1.703 -0.527 1.424) 2.281 2.132 ( -1.412 2.258 5.431) 6.049 2.142 ( -0.915 1.893 3.965) 4.488 2.207 ( -1.193 3.300 0.825) 3.605 2.232 ( -3.445 0.294 0.383) 3.479 2.317 ( 2.521 4.761 5.133) 7.441 2.485 ( 7.675 -3.528 6.066) 10.399 2.500 ( -1.802 -1.208 6.213) 6.581 2.572 ( 0.338 -2.243 5.333) 5.796 2.665 ( -2.814 1.753 1.161) 3.513 2.757 ( -0.473 -5.652 2.257) 6.105 2.846 ( -4.133 -2.888 -0.474) 5.065 2.870 ( -4.380 -4.940 1.737) 6.827 3.151 ( 3.670 3.067 -2.929) 5.608 3.190 ( 1.442 -0.312 -3.710) 3.993 3.341 ( -0.301 2.858 -4.360) 5.222 3.407 ( -0.272 -1.229 -5.649) 5.788 3.498 ( 0.841 3.356 -1.434) 3.745 3.534 ( 0.626 1.802 -3.666) 4.132 3.588 ( 3.721 -4.687 -3.620) 6.994 3.618 ( -0.825 -3.071 -0.340) 3.198 3.793 ( 2.870 -0.641 3.048) 4.235 3.837 ( 1.927 -4.162 4.231) 6.240 4.128 ( -9.147 1.958 -4.236) 10.269 4.153 ( -8.207 0.784 -4.210) 9.257 4.393 ( 0.325 14.849 8.324) 17.025 4.497 ( 1.783 13.537 6.663) 15.193 4.557 ( 2.305 8.678 2.929) 9.445 4.701 ( 3.230 2.110 0.167) 3.862 4.727 ( 5.267 -0.121 -0.740) 5.320 4.762 ( 0.410 -0.765 1.356) 1.610 4.818 ( -1.896 3.335 -3.070) 4.913 4.878 ( -2.627 4.527 -1.243) 5.380 4.910 ( 2.295 3.134 2.345) 4.538 5.021 ( 3.831 -0.380 0.594) 3.895 5.156 ( -2.908 -4.578 1.682) 5.678 5.229 ( -1.835 -13.083 -0.390) 13.217 5.348 ( 3.976 4.368 0.342) 5.917 5.404 ( 5.028 -4.401 -0.814) 6.732 5.631 ( -5.587 3.389 -0.707) 6.572 5.680 ( -4.423 -2.228 -1.009) 5.054 6.093 ( 2.458 10.197 5.563) 11.873 6.196 ( 1.294 1.922 3.722) 4.384 6.201 ( -1.763 11.288 6.158) 12.979 6.271 ( -1.721 4.598 4.125) 6.412 6.546 ( 1.798 7.758 -5.762) 9.830 6.658 ( -1.804 2.893 -0.888) 3.523 6.710 ( 3.166 -8.101 -3.265) 9.291 6.806 ( -1.207 -9.140 -2.832) 9.644 7.032 ( 0.991 -1.251 -5.384) 5.616 7.044 ( 1.169 -2.468 -4.337) 5.125 7.094 ( -2.000 1.365 -9.283) 9.594 7.121 ( -1.390 -1.506 -8.712) 8.950 7.987 ( -0.092 5.779 -1.707) 6.027 8.040 ( -0.038 1.181 -0.721) 1.384 8.167 ( -6.210 7.196 -3.021) 9.974 8.265 ( -5.735 -1.739 -2.145) 6.365 8.424 ( 3.631 8.876 1.725) 9.744 8.506 ( 1.681 0.013 -1.786) 2.453 8.636 ( 2.458 2.292 4.655) 5.741 8.667 ( -0.420 -1.169 3.350) 3.573 8.846 ( 9.798 8.616 -4.199) 13.706 8.940 ( 10.447 0.940 4.041) 11.241 9.138 ( -3.043 2.917 3.755) 5.645 9.224 ( -2.509 -4.250 -0.685) 4.983 9.686 ( 16.962 5.889 8.668) 19.938 9.823 ( 18.098 -7.877 7.326) 21.054 10.022 ( 3.592 6.634 1.563) 7.705 10.106 ( 4.217 -0.848 1.623) 4.598 10.330 ( -8.420 11.740 10.175) 17.671 10.483 ( -7.901 -1.758 5.616) 9.852 10.588 ( -4.254 8.913 -1.731) 10.027 10.641 ( -11.525 1.804 -4.919) 12.660 10.975 ( 3.558 13.396 2.272) 14.045 11.040 ( 0.361 12.305 -0.759) 12.333 11.073 ( -8.392 5.437 -7.560) 12.536 11.225 ( -1.941 1.645 -6.833) 7.291 11.494 ( 2.434 4.634 -3.145) 6.107 11.618 ( 3.849 -3.056 -7.670) 9.110 11.801 ( -9.341 8.361 4.409) 13.289 11.946 ( -11.826 -2.876 4.836) 13.096 12.020 ( 2.509 5.564 -2.584) 6.628 12.075 ( -1.517 7.508 -0.892) 7.711 12.191 ( 0.719 -6.158 -4.550) 7.690 12.222 ( -0.972 8.739 -2.531) 9.150 12.388 ( -2.038 -13.734 0.371) 13.889 12.448 ( -3.524 0.050 2.038) 4.071 12.533 ( -0.912 -14.659 -2.003) 14.823 12.571 ( -0.471 -9.208 -0.533) 9.236 13.629 ( 4.881 11.253 -5.875) 13.600 13.805 ( 0.980 1.862 -9.187) 9.424 13.926 ( -0.618 -6.285 -7.905) 10.118 14.022 ( -1.251 -7.503 -9.895) 12.481 14.860 ( 4.024 16.949 4.426) 17.973 15.000 ( -0.881 13.437 -1.751) 13.580 15.201 ( 2.451 -8.807 1.416) 9.250 15.252 ( 1.266 -9.667 -0.579) 9.767 15.665 ( 4.219 -1.113 -4.646) 6.374 15.788 ( 4.820 -8.247 -6.614) 11.618 16.024 ( -4.734 -1.954 -7.195) 8.832 16.123 ( -4.534 -9.346 -9.058) 13.782 16.903 ( 3.296 7.927 11.787) 14.582 17.050 ( -1.314 0.066 8.102) 8.208 17.090 ( -0.151 -5.690 9.048) 10.689 17.162 ( -1.719 -5.923 7.081) 9.390 ======================= Grid point 112 (45/60) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -2.567 1.671 1.550) 3.433 1.888 ( 2.567 1.671 1.550) 3.433 1.917 ( -1.765 -1.349 1.397) 2.624 1.917 ( 1.765 -1.349 1.397) 2.624 2.148 ( -2.281 2.619 4.060) 5.343 2.148 ( 2.281 2.619 4.060) 5.343 2.159 ( -1.569 2.298 2.868) 3.996 2.159 ( 1.569 2.298 2.868) 3.996 2.409 ( -5.691 8.273 5.211) 11.313 2.409 ( 5.691 8.273 5.211) 11.313 2.575 ( -1.770 -6.087 5.115) 8.145 2.575 ( 1.770 -6.087 5.115) 8.145 2.719 ( -7.157 -1.602 0.823) 7.380 2.719 ( 7.157 -1.602 0.823) 7.380 2.790 ( -3.548 -7.287 1.576) 8.257 2.790 ( 3.548 -7.287 1.576) 8.257 3.221 ( -0.972 6.242 -3.087) 7.031 3.221 ( 0.972 6.242 -3.087) 7.031 3.341 ( -3.375 -5.090 -3.070) 6.835 3.341 ( 3.375 -5.090 -3.070) 6.835 3.515 ( -1.064 5.142 -0.216) 5.255 3.515 ( 1.064 5.142 -0.216) 5.255 3.635 ( -0.699 -6.683 -2.886) 7.313 3.635 ( 0.699 -6.683 -2.886) 7.313 3.909 ( -5.978 2.475 -0.371) 6.481 3.909 ( 5.978 2.475 -0.371) 6.481 3.973 ( -5.676 -3.976 -0.989) 7.000 3.973 ( 5.676 -3.976 -0.989) 7.000 4.449 ( -3.832 22.177 6.848) 23.524 4.449 ( 3.832 22.177 6.848) 23.524 4.682 ( -6.141 1.112 1.656) 6.457 4.682 ( 6.141 1.112 1.656) 6.457 4.763 ( -1.786 2.020 -1.100) 2.912 4.763 ( 1.786 2.020 -1.100) 2.912 4.824 ( -2.596 -0.463 -2.629) 3.723 4.824 ( 2.596 -0.463 -2.629) 3.723 4.998 ( -5.236 2.991 3.023) 6.746 4.998 ( 5.236 2.991 3.023) 6.746 5.171 ( -3.557 -9.519 0.426) 10.171 5.171 ( 3.557 -9.519 0.426) 10.171 5.456 ( -4.846 5.356 -1.152) 7.314 5.456 ( 4.846 5.356 -1.152) 7.314 5.570 ( -4.588 -5.346 -1.054) 7.123 5.570 ( 4.588 -5.346 -1.054) 7.123 6.151 ( -2.990 10.489 6.851) 12.880 6.151 ( 2.990 10.489 6.851) 12.880 6.231 ( -2.095 3.808 4.741) 6.431 6.231 ( 2.095 3.808 4.741) 6.431 6.602 ( -3.403 5.587 -3.366) 7.357 6.602 ( 3.403 5.587 -3.366) 7.357 6.770 ( -2.478 -9.441 -2.761) 10.143 6.770 ( 2.478 -9.441 -2.761) 10.143 7.053 ( -1.392 0.677 -7.758) 7.911 7.053 ( 1.392 0.677 -7.758) 7.911 7.083 ( -2.016 -2.463 -7.137) 7.815 7.083 ( 2.016 -2.463 -7.137) 7.815 8.031 ( -4.063 7.949 -2.188) 9.191 8.031 ( 4.063 7.949 -2.188) 9.191 8.116 ( -5.800 -0.478 -4.136) 7.139 8.116 ( 5.800 -0.478 -4.136) 7.139 8.547 ( -4.266 7.831 5.948) 10.720 8.547 ( 4.266 7.831 5.948) 10.720 8.630 ( -2.091 -2.589 4.017) 5.217 8.630 ( 2.091 -2.589 4.017) 5.217 9.013 ( -6.324 7.538 -0.196) 9.841 9.013 ( 6.324 7.538 -0.196) 9.841 9.143 ( -5.624 -4.599 2.621) 7.723 9.143 ( 5.624 -4.599 2.621) 7.723 10.048 ( -9.524 10.801 2.763) 14.663 10.048 ( 9.524 10.801 2.764) 14.663 10.171 ( -10.899 1.569 -8.518) 13.921 10.171 ( 10.899 1.569 -8.518) 13.921 10.298 ( -17.033 0.550 1.058) 17.075 10.298 ( 17.033 0.550 1.058) 17.075 10.384 ( -1.152 -5.157 9.873) 11.198 10.384 ( 1.152 -5.157 9.873) 11.198 10.991 ( -1.247 17.947 -1.700) 18.070 10.991 ( 1.247 17.947 -1.700) 18.070 11.133 ( -6.774 4.769 -0.289) 8.289 11.133 ( 6.774 4.769 -0.289) 8.289 11.609 ( -8.584 5.348 3.165) 10.598 11.609 ( 8.584 5.348 3.165) 10.598 11.720 ( -7.777 -4.126 -2.910) 9.272 11.720 ( 7.777 -4.126 -2.910) 9.272 12.059 ( -1.165 7.563 -2.847) 8.165 12.059 ( 1.165 7.563 -2.847) 8.165 12.209 ( -0.943 -1.249 -3.650) 3.972 12.209 ( 0.943 -1.249 -3.650) 3.972 12.384 ( -2.308 -4.407 0.947) 5.064 12.384 ( 2.308 -4.407 0.947) 5.065 12.542 ( -1.684 -13.769 -1.579) 13.961 12.542 ( 1.684 -13.769 -1.579) 13.961 13.741 ( -5.540 12.256 -8.025) 15.661 13.741 ( 5.540 12.256 -8.025) 15.661 13.974 ( -3.343 -11.163 -8.233) 14.268 13.974 ( 3.343 -11.163 -8.233) 14.268 14.947 ( -4.042 16.788 3.017) 17.529 14.947 ( 4.042 16.788 3.017) 17.529 15.251 ( -1.653 -13.387 -0.435) 13.496 15.251 ( 1.653 -13.387 -0.435) 13.496 15.790 ( -6.345 6.684 -6.117) 11.061 15.790 ( 6.345 6.684 -6.117) 11.061 16.010 ( -5.203 -14.397 -8.579) 17.548 16.010 ( 5.203 -14.397 -8.579) 17.548 16.983 ( -4.280 6.094 9.470) 12.047 16.983 ( 4.280 6.094 9.470) 12.047 17.120 ( -2.245 -7.843 8.876) 12.056 17.120 ( 2.245 -7.843 8.876) 12.056 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 0.000 0.000 17.627) 17.627 1.666 ( 0.000 0.000 20.222) 20.222 1.681 ( 0.000 0.000 -8.120) 8.120 1.871 ( 0.000 0.000 2.602) 2.602 1.890 ( 0.000 0.000 -1.565) 1.565 1.972 ( 0.000 0.000 -8.959) 8.959 2.129 ( 0.000 0.000 4.079) 4.079 2.187 ( 0.000 0.000 -2.119) 2.119 2.328 ( 0.000 0.000 8.891) 8.891 2.490 ( 0.000 0.000 -2.210) 2.210 2.498 ( 0.000 0.000 2.902) 2.902 2.508 ( 0.000 0.000 2.218) 2.218 2.570 ( 0.000 0.000 -3.860) 3.860 2.591 ( 0.000 0.000 -6.143) 6.143 2.695 ( 0.000 0.000 2.223) 2.223 2.728 ( 0.000 0.000 9.289) 9.289 2.766 ( 0.000 0.000 -4.416) 4.416 2.892 ( 0.000 0.000 -6.075) 6.075 3.059 ( 0.000 0.000 10.790) 10.790 3.080 ( 0.000 0.000 5.066) 5.066 3.138 ( 0.000 0.000 -0.315) 0.315 3.140 ( 0.000 0.000 -0.317) 0.317 3.325 ( 0.000 0.000 8.661) 8.661 3.429 ( 0.000 0.000 -0.339) 0.339 3.443 ( 0.000 0.000 -0.584) 0.584 3.596 ( 0.000 0.000 -8.419) 8.419 3.884 ( 0.000 0.000 -1.230) 1.230 3.982 ( 0.000 0.000 -1.150) 1.150 4.001 ( 0.000 0.000 -2.319) 2.319 4.027 ( 0.000 0.000 -16.474) 16.474 4.192 ( 0.000 0.000 1.446) 1.446 4.206 ( 0.000 0.000 -0.142) 0.142 4.300 ( 0.000 0.000 0.493) 0.493 4.360 ( 0.000 0.000 -4.642) 4.642 4.637 ( 0.000 0.000 1.012) 1.012 4.664 ( 0.000 0.000 -1.411) 1.411 4.796 ( 0.000 0.000 3.585) 3.585 4.859 ( 0.000 0.000 0.598) 0.598 5.014 ( 0.000 0.000 5.203) 5.203 5.069 ( 0.000 0.000 5.978) 5.978 5.158 ( 0.000 0.000 2.361) 2.361 5.216 ( 0.000 0.000 -3.460) 3.460 5.356 ( 0.000 0.000 -5.713) 5.713 5.387 ( 0.000 0.000 -4.114) 4.114 5.664 ( 0.000 0.000 5.453) 5.453 5.669 ( 0.000 0.000 4.457) 4.457 5.739 ( 0.000 0.000 -1.887) 1.887 5.763 ( 0.000 0.000 -3.916) 3.916 6.451 ( 0.000 0.000 14.952) 14.952 6.669 ( 0.000 0.000 -5.596) 5.596 6.767 ( 0.000 0.000 11.575) 11.575 6.819 ( 0.000 0.000 2.498) 2.498 6.923 ( 0.000 0.000 -6.983) 6.983 6.947 ( 0.000 0.000 -8.781) 8.781 7.049 ( 0.000 0.000 -0.069) 0.069 7.081 ( 0.000 0.000 -3.813) 3.813 7.359 ( 0.000 0.000 5.927) 5.927 7.528 ( 0.000 0.000 -9.938) 9.938 7.592 ( 0.000 0.000 -0.543) 0.543 7.651 ( 0.000 0.000 -3.452) 3.452 7.914 ( 0.000 0.000 4.243) 4.243 7.963 ( 0.000 0.000 -0.247) 0.247 8.460 ( 0.000 0.000 3.015) 3.015 8.544 ( 0.000 0.000 -2.163) 2.163 8.725 ( 0.000 0.000 1.830) 1.830 8.773 ( 0.000 0.000 -2.379) 2.379 8.854 ( 0.000 0.000 7.250) 7.250 8.963 ( 0.000 0.000 2.624) 2.624 8.992 ( 0.000 0.000 -7.549) 7.549 9.025 ( 0.000 0.000 -3.635) 3.635 9.532 ( 0.000 0.000 5.461) 5.461 9.658 ( 0.000 0.000 -6.643) 6.643 9.690 ( 0.000 0.000 0.076) 0.076 9.736 ( 0.000 0.000 -4.605) 4.605 10.136 ( 0.000 0.000 7.693) 7.693 10.270 ( 0.000 0.000 -2.443) 2.443 10.336 ( 0.000 0.000 6.065) 6.065 10.393 ( 0.000 0.000 0.504) 0.504 10.493 ( 0.000 0.000 -4.404) 4.404 10.564 ( 0.000 0.000 -8.075) 8.075 11.106 ( 0.000 0.000 8.770) 8.770 11.182 ( 0.000 0.000 5.769) 5.769 11.274 ( 0.000 0.000 -7.050) 7.050 11.337 ( 0.000 0.000 -10.004) 10.004 12.304 ( 0.000 0.000 5.226) 5.226 12.346 ( 0.000 0.000 1.297) 1.297 12.353 ( 0.000 0.000 3.337) 3.337 12.443 ( 0.000 0.000 -5.462) 5.462 12.868 ( 0.000 0.000 4.508) 4.508 12.919 ( 0.000 0.000 -1.237) 1.237 13.217 ( 0.000 0.000 18.862) 18.862 13.429 ( 0.000 0.000 4.080) 4.080 13.508 ( 0.000 0.000 -3.744) 3.744 13.558 ( 0.000 0.000 -9.643) 9.643 13.613 ( 0.000 0.000 6.828) 6.828 13.819 ( 0.000 0.000 -18.515) 18.515 14.283 ( 0.000 0.000 -2.664) 2.664 14.299 ( 0.000 0.000 -3.871) 3.871 15.493 ( 0.000 0.000 17.792) 17.792 15.820 ( 0.000 0.000 -14.655) 14.655 15.931 ( 0.000 0.000 11.651) 11.651 16.170 ( 0.000 0.000 -11.658) 11.658 16.772 ( 0.000 0.000 1.157) 1.157 16.776 ( 0.000 0.000 -0.448) 0.448 16.946 ( 0.000 0.000 7.109) 7.109 17.084 ( 0.000 0.000 -5.741) 5.741 17.592 ( 0.000 0.000 4.747) 4.747 17.642 ( 0.000 0.000 -0.092) 0.092 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 3.160 0.000 16.193) 16.499 1.635 ( -4.583 0.000 1.638) 4.867 1.682 ( 2.831 0.000 20.157) 20.355 1.834 ( -0.656 0.000 -4.175) 4.226 1.896 ( -1.336 0.000 -5.083) 5.255 1.956 ( -2.569 0.000 -2.845) 3.833 2.102 ( -2.435 0.000 2.684) 3.624 2.153 ( -2.779 0.000 0.199) 2.786 2.264 ( -6.412 0.000 0.115) 6.413 2.328 ( -8.956 0.000 -3.013) 9.449 2.533 ( 2.790 0.000 0.419) 2.822 2.535 ( 2.783 0.000 3.771) 4.686 2.579 ( 2.449 0.000 -2.506) 3.504 2.614 ( 2.738 0.000 -4.005) 4.851 2.676 ( -1.275 0.000 2.643) 2.935 2.746 ( -1.768 0.000 -4.077) 4.444 2.794 ( 0.747 0.000 3.489) 3.568 2.861 ( -3.042 0.000 -3.001) 4.274 3.131 ( 4.647 0.000 5.122) 6.917 3.199 ( 5.211 0.000 -0.533) 5.238 3.202 ( 12.223 0.000 7.951) 14.582 3.270 ( 8.041 0.000 -3.149) 8.635 3.363 ( -5.032 0.000 1.908) 5.382 3.387 ( 7.969 0.000 15.839) 17.730 3.420 ( -3.195 0.000 -2.400) 3.996 3.651 ( 4.854 0.000 -2.812) 5.610 3.838 ( -4.012 0.000 -0.949) 4.123 3.991 ( -2.593 0.000 -13.671) 13.915 4.009 ( 2.263 0.000 -0.884) 2.430 4.028 ( 1.992 0.000 -2.161) 2.939 4.190 ( -1.408 0.000 3.306) 3.593 4.245 ( 2.152 0.000 -4.781) 5.243 4.291 ( -0.458 0.000 -0.521) 0.693 4.340 ( -1.819 0.000 -4.638) 4.982 4.394 ( -15.574 0.000 11.040) 19.090 4.558 ( -9.193 0.000 -4.971) 10.451 4.843 ( 2.903 0.000 3.112) 4.256 4.906 ( 1.115 0.000 2.537) 2.772 4.953 ( 0.229 0.000 -3.595) 3.602 5.079 ( -4.483 0.000 -9.191) 10.226 5.172 ( 1.362 0.000 2.404) 2.763 5.220 ( -0.025 0.000 -2.180) 2.180 5.388 ( 6.027 0.000 4.176) 7.332 5.459 ( 2.313 0.000 -2.125) 3.141 5.677 ( 1.595 0.000 3.940) 4.250 5.685 ( 1.723 0.000 4.199) 4.538 5.746 ( 0.320 0.000 -1.310) 1.348 5.761 ( -0.641 0.000 -3.983) 4.034 6.451 ( 0.328 0.000 13.345) 13.349 6.574 ( -5.837 0.000 4.906) 7.625 6.835 ( 3.775 0.000 -1.756) 4.164 6.844 ( 2.613 0.000 3.354) 4.251 6.942 ( -0.982 0.000 -9.291) 9.343 6.953 ( 2.167 0.000 -5.612) 6.016 7.011 ( -2.767 0.000 -0.034) 2.767 7.073 ( -1.287 0.000 -5.030) 5.192 7.426 ( 6.499 0.000 4.600) 7.962 7.558 ( 3.009 0.000 -7.553) 8.130 7.588 ( 1.480 0.000 5.175) 5.382 7.681 ( 0.942 0.000 -0.795) 1.232 7.836 ( -7.184 0.000 1.873) 7.424 7.862 ( -8.326 0.000 -0.744) 8.359 8.441 ( -0.787 0.000 0.877) 1.179 8.542 ( -1.928 0.000 -6.341) 6.627 8.766 ( 3.779 0.000 2.516) 4.540 8.804 ( 4.150 0.000 -0.632) 4.198 8.945 ( 7.567 0.000 6.023) 9.671 8.958 ( -0.683 0.000 2.658) 2.744 9.023 ( -1.050 0.000 -3.402) 3.560 9.042 ( 4.081 0.000 -4.166) 5.832 9.565 ( 3.901 0.000 7.063) 8.069 9.608 ( -6.341 0.000 1.403) 6.494 9.659 ( -6.791 0.000 -3.616) 7.694 9.709 ( 4.029 0.000 -6.598) 7.731 10.160 ( -11.913 0.000 8.708) 14.756 10.207 ( 6.736 0.000 4.838) 8.293 10.302 ( -9.963 0.000 -4.974) 11.136 10.322 ( 4.483 0.000 -3.889) 5.935 10.470 ( -2.599 0.000 -2.564) 3.651 10.541 ( -2.735 0.000 -7.487) 7.971 11.121 ( 1.121 0.000 7.439) 7.523 11.163 ( -1.111 0.000 4.477) 4.613 11.312 ( 2.588 0.000 -4.970) 5.604 11.349 ( 0.760 0.000 -7.952) 7.989 12.341 ( 2.941 0.000 4.309) 5.217 12.380 ( 2.736 0.000 0.668) 2.816 12.407 ( 4.383 0.000 2.368) 4.982 12.472 ( 1.980 0.000 -3.970) 4.437 12.821 ( -2.842 0.000 5.405) 6.107 12.891 ( -3.034 0.000 -2.063) 3.669 13.273 ( 4.815 0.000 16.241) 16.940 13.428 ( 0.154 0.000 2.829) 2.833 13.486 ( -1.935 0.000 -2.912) 3.497 13.489 ( -4.903 0.000 5.430) 7.316 13.660 ( 2.989 0.000 -9.291) 9.760 13.788 ( -2.828 0.000 -18.084) 18.304 14.284 ( 1.012 0.000 -0.298) 1.055 14.320 ( 0.758 0.000 -3.283) 3.369 15.505 ( 1.480 0.000 14.069) 14.147 15.685 ( -7.530 0.000 -1.089) 7.608 16.080 ( 8.602 0.000 -0.698) 8.630 16.199 ( 2.137 0.000 -9.550) 9.786 16.720 ( -3.455 0.000 0.868) 3.562 16.737 ( -3.499 0.000 -1.083) 3.663 16.983 ( 2.805 0.000 5.533) 6.203 17.073 ( -1.182 0.000 -2.804) 3.043 17.608 ( 1.316 0.000 3.846) 4.065 17.642 ( -0.091 0.000 0.584) 0.591 ======================= Grid point 137 (48/60) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -5.438 0.000 11.691) 12.894 1.526 ( 5.438 0.000 11.691) 12.894 1.812 ( -9.534 0.000 14.949) 17.730 1.812 ( 9.534 0.000 14.949) 17.730 1.854 ( -2.149 0.000 -8.046) 8.328 1.854 ( 2.149 0.000 -8.046) 8.328 2.095 ( -2.389 0.000 -2.934) 3.783 2.095 ( 2.389 0.000 -2.934) 3.783 2.217 ( -1.921 0.000 -4.298) 4.707 2.217 ( 1.921 0.000 -4.298) 4.707 2.598 ( -2.096 0.000 -0.789) 2.240 2.598 ( 2.096 0.000 -0.789) 2.240 2.600 ( -3.101 0.000 2.956) 4.284 2.600 ( 3.101 0.000 2.956) 4.284 2.701 ( -2.633 0.000 -3.093) 4.062 2.701 ( 2.633 0.000 -3.093) 4.062 2.801 ( -1.867 0.000 -0.345) 1.899 2.801 ( 1.867 0.000 -0.345) 1.899 3.242 ( -5.661 0.000 5.154) 7.656 3.242 ( 5.661 0.000 5.154) 7.656 3.325 ( -5.574 0.000 -2.889) 6.278 3.325 ( 5.574 0.000 -2.889) 6.278 3.337 ( -1.553 0.000 -2.586) 3.016 3.337 ( 1.553 0.000 -2.586) 3.016 3.691 ( -12.530 0.000 15.358) 19.821 3.691 ( 12.530 0.000 15.358) 19.821 3.798 ( -10.810 0.000 2.872) 11.185 3.798 ( 10.810 0.000 2.872) 11.185 4.046 ( -0.709 0.000 -1.186) 1.382 4.046 ( 0.709 0.000 -1.186) 1.382 4.190 ( -4.600 0.000 -2.600) 5.284 4.190 ( 4.600 0.000 -2.600) 5.284 4.301 ( -1.566 0.000 -3.213) 3.575 4.301 ( 1.566 0.000 -3.213) 3.575 4.366 ( -7.347 0.000 -6.998) 10.147 4.366 ( 7.347 0.000 -6.998) 10.147 4.889 ( -1.779 0.000 2.333) 2.933 4.889 ( 1.779 0.000 2.333) 2.933 4.999 ( -2.976 0.000 -7.560) 8.125 4.999 ( 2.976 0.000 -7.560) 8.125 5.204 ( -1.510 0.000 0.855) 1.735 5.204 ( 1.510 0.000 0.855) 1.735 5.467 ( -1.428 0.000 0.891) 1.683 5.467 ( 1.428 0.000 0.891) 1.683 5.726 ( -2.695 0.000 -0.772) 2.804 5.726 ( 2.695 0.000 -0.772) 2.804 5.731 ( -2.057 0.000 1.928) 2.819 5.731 ( 2.057 0.000 1.928) 2.819 6.481 ( -3.064 0.000 9.436) 9.921 6.481 ( 3.064 0.000 9.436) 9.921 6.901 ( -2.850 0.000 -8.062) 8.551 6.901 ( 2.850 0.000 -8.062) 8.551 6.917 ( -4.201 0.000 3.523) 5.483 6.917 ( 4.201 0.000 3.523) 5.483 7.028 ( -2.863 0.000 -6.665) 7.254 7.028 ( 2.863 0.000 -6.665) 7.254 7.583 ( -6.011 0.000 1.978) 6.328 7.583 ( 6.011 0.000 1.978) 6.328 7.652 ( -3.573 0.000 6.458) 7.380 7.652 ( 3.573 0.000 6.458) 7.380 7.722 ( -2.606 0.000 -3.778) 4.590 7.722 ( 2.606 0.000 -3.778) 4.590 8.469 ( -3.641 0.000 -5.808) 6.854 8.469 ( 3.641 0.000 -5.808) 6.854 8.852 ( -2.609 0.000 3.264) 4.178 8.852 ( 2.609 0.000 3.264) 4.178 8.967 ( -3.395 0.000 -1.928) 3.904 8.967 ( 3.395 0.000 -1.928) 3.904 9.074 ( -3.031 0.000 2.522) 3.943 9.074 ( 3.031 0.000 2.522) 3.943 9.543 ( -2.150 0.000 -0.840) 2.309 9.543 ( 2.150 0.000 -0.840) 2.309 9.692 ( -7.148 0.000 5.264) 8.877 9.692 ( 7.148 0.000 5.264) 8.877 10.089 ( -7.497 0.000 -3.414) 8.237 10.089 ( 7.497 0.000 -3.414) 8.237 10.353 ( -5.691 0.000 -2.440) 6.192 10.353 ( 5.691 0.000 -2.440) 6.192 10.454 ( -4.676 0.000 -2.730) 5.415 10.454 ( 4.676 0.000 -2.730) 5.415 11.143 ( -1.011 0.000 5.338) 5.433 11.143 ( 1.011 0.000 5.338) 5.433 11.350 ( -0.919 0.000 -5.429) 5.507 11.350 ( 0.919 0.000 -5.429) 5.507 12.397 ( -1.732 0.000 2.576) 3.104 12.397 ( 1.732 0.000 2.576) 3.104 12.479 ( -1.864 0.000 -0.466) 1.921 12.479 ( 1.864 0.000 -0.466) 1.921 12.819 ( -2.898 0.000 0.604) 2.960 12.819 ( 2.898 0.000 0.604) 2.960 13.382 ( -5.667 0.000 12.102) 13.364 13.382 ( 5.667 0.000 12.102) 13.364 13.446 ( -1.691 0.000 -0.300) 1.718 13.446 ( 1.691 0.000 -0.300) 1.718 13.723 ( -3.327 0.000 -16.029) 16.371 13.723 ( 3.327 0.000 -16.029) 16.371 14.313 ( -1.335 0.000 -0.511) 1.429 14.313 ( 1.335 0.000 -0.511) 1.429 15.563 ( -4.490 0.000 6.510) 7.908 15.563 ( 4.490 0.000 6.510) 7.908 16.204 ( -2.887 0.000 -5.255) 5.996 16.204 ( 2.887 0.000 -5.255) 5.996 16.684 ( -0.675 0.000 -0.666) 0.948 16.684 ( 0.675 0.000 -0.666) 0.948 17.037 ( -2.355 0.000 1.984) 3.080 17.037 ( 2.355 0.000 1.984) 3.080 17.633 ( -0.926 0.000 2.145) 2.336 17.633 ( 0.926 0.000 2.145) 2.336 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.000 15.317 14.733) 21.253 1.682 ( 0.000 1.987 17.659) 17.771 1.906 ( 0.000 12.224 -9.311) 15.366 1.985 ( 0.000 2.750 -7.214) 7.720 2.024 ( 0.000 12.597 3.714) 13.133 2.053 ( 0.000 10.546 1.188) 10.613 2.112 ( 0.000 -0.797 3.027) 3.130 2.161 ( 0.000 0.385 -2.709) 2.737 2.320 ( 0.000 2.060 8.043) 8.302 2.470 ( 0.000 -0.506 3.737) 3.771 2.477 ( 0.000 1.815 -4.483) 4.836 2.547 ( 0.000 1.897 0.142) 1.902 2.589 ( 0.000 1.240 -2.605) 2.885 2.590 ( 0.000 0.271 -6.975) 6.980 2.735 ( 0.000 0.622 9.653) 9.673 2.812 ( 0.000 6.940 0.412) 6.952 2.902 ( 0.000 11.939 -0.889) 11.972 2.933 ( 0.000 7.815 -4.685) 9.112 3.031 ( 0.000 3.766 6.662) 7.653 3.127 ( 0.000 1.523 -1.889) 2.426 3.270 ( 0.000 0.312 8.790) 8.796 3.341 ( 0.000 18.886 6.882) 20.101 3.467 ( 0.000 0.998 -6.493) 6.569 3.470 ( 0.000 21.803 -1.759) 21.874 3.649 ( 0.000 14.456 3.090) 14.782 3.742 ( 0.000 14.392 0.782) 14.413 3.900 ( 0.000 5.613 -2.396) 6.103 3.936 ( 0.000 -2.002 -4.580) 4.998 3.977 ( 0.000 -3.722 -5.356) 6.522 3.980 ( 0.000 -1.034 -2.371) 2.587 4.172 ( 0.000 -2.996 1.451) 3.329 4.218 ( 0.000 2.542 -3.777) 4.552 4.328 ( 0.000 1.973 1.478) 2.465 4.440 ( 0.000 7.326 -8.607) 11.303 4.621 ( 0.000 -0.914 0.059) 0.916 4.636 ( 0.000 -1.646 -1.060) 1.958 4.797 ( 0.000 0.375 3.631) 3.650 4.835 ( 0.000 -1.759 3.140) 3.599 5.006 ( 0.000 0.859 0.799) 1.173 5.058 ( 0.000 -0.465 1.672) 1.735 5.252 ( 0.000 2.439 1.281) 2.755 5.266 ( 0.000 7.458 2.721) 7.939 5.445 ( 0.000 6.652 -3.489) 7.511 5.447 ( 0.000 9.515 -5.189) 10.838 5.630 ( 0.000 1.494 4.087) 4.351 5.693 ( 0.000 0.718 -1.660) 1.808 5.811 ( 0.000 7.598 6.084) 9.734 5.916 ( 0.000 8.833 -3.898) 9.655 6.464 ( 0.000 2.700 10.202) 10.553 6.599 ( 0.000 -5.960 -3.553) 6.938 6.782 ( 0.000 2.060 3.033) 3.667 6.793 ( 0.000 -0.945 0.026) 0.946 6.937 ( 0.000 -0.593 -1.716) 1.815 6.965 ( 0.000 2.477 -3.527) 4.310 7.071 ( 0.000 -0.365 -1.106) 1.165 7.112 ( 0.000 3.758 -3.463) 5.110 7.414 ( 0.000 6.491 8.067) 10.354 7.610 ( 0.000 7.927 -10.088) 12.830 7.646 ( 0.000 4.860 -1.476) 5.079 7.703 ( 0.000 5.127 -4.958) 7.132 7.941 ( 0.000 3.740 5.199) 6.404 8.006 ( 0.000 5.676 -0.407) 5.690 8.518 ( 0.000 5.282 3.010) 6.079 8.568 ( 0.000 1.594 1.314) 2.066 8.762 ( 0.000 -2.295 2.740) 3.574 8.837 ( 0.000 -0.080 -4.271) 4.272 8.882 ( 0.000 8.932 3.446) 9.574 8.972 ( 0.000 7.431 -5.537) 9.267 9.154 ( 0.000 13.799 0.110) 13.800 9.170 ( 0.000 11.867 -1.208) 11.928 9.529 ( 0.000 -2.479 -0.155) 2.484 9.552 ( 0.000 6.043 -2.021) 6.372 9.868 ( 0.000 11.891 -0.264) 11.894 9.881 ( 0.000 10.550 -1.187) 10.616 10.139 ( 0.000 0.829 7.618) 7.663 10.297 ( 0.000 2.701 -5.660) 6.272 10.399 ( 0.000 -3.820 2.645) 4.647 10.422 ( 0.000 8.074 4.646) 9.315 10.513 ( 0.000 7.352 1.677) 7.541 10.601 ( 0.000 4.653 -9.269) 10.371 11.124 ( 0.000 1.545 6.951) 7.121 11.268 ( 0.000 8.095 3.111) 8.673 11.305 ( 0.000 0.877 -9.672) 9.712 11.355 ( 0.000 3.708 -5.951) 7.012 12.240 ( 0.000 -3.374 4.834) 5.895 12.298 ( 0.000 -4.235 0.059) 4.235 12.437 ( 0.000 4.458 1.683) 4.765 12.474 ( 0.000 2.562 -2.738) 3.750 12.838 ( 0.000 -3.077 2.538) 3.989 12.859 ( 0.000 -6.372 -0.213) 6.375 13.158 ( 0.000 -5.827 15.481) 16.541 13.267 ( 0.000 -11.781 1.753) 11.911 13.345 ( 0.000 -8.090 -0.620) 8.114 13.542 ( 0.000 -2.283 -14.423) 14.603 13.844 ( 0.000 15.122 6.135) 16.319 13.997 ( 0.000 14.478 -11.173) 18.288 14.258 ( 0.000 -2.663 -2.700) 3.792 14.280 ( 0.000 -1.791 -4.387) 4.739 15.462 ( 0.000 -3.087 17.308) 17.581 15.774 ( 0.000 -4.660 -13.789) 14.556 15.892 ( 0.000 -3.748 10.913) 11.538 16.125 ( 0.000 -4.562 -11.633) 12.496 16.704 ( 0.000 -7.874 -0.025) 7.874 16.723 ( 0.000 -6.169 -1.503) 6.349 16.913 ( 0.000 -2.040 9.300) 9.521 17.062 ( 0.000 -1.596 -5.330) 5.564 17.565 ( 0.000 -2.779 4.464) 5.259 17.607 ( 0.000 -3.499 0.417) 3.523 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.25 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 2.783 11.204 15.678) 19.469 1.724 ( 3.915 7.068 15.747) 17.699 1.887 ( -4.307 15.990 -0.609) 16.571 1.935 ( -1.896 6.941 -1.071) 7.275 1.964 ( -2.362 4.007 -2.609) 5.333 2.051 ( -3.953 7.381 -1.699) 8.543 2.100 ( -0.818 1.492 0.072) 1.703 2.137 ( -2.069 1.007 -1.684) 2.851 2.268 ( -5.387 1.458 0.650) 5.618 2.306 ( -8.507 -0.948 -1.342) 8.664 2.514 ( 1.836 1.855 0.705) 2.704 2.550 ( 1.135 1.370 -2.045) 2.711 2.588 ( 4.113 3.368 2.333) 5.806 2.654 ( 4.071 -0.095 -3.989) 5.701 2.780 ( -2.504 4.140 2.271) 5.345 2.815 ( 0.031 5.158 0.741) 5.211 2.885 ( -0.622 10.155 -1.323) 10.260 2.891 ( -2.781 9.779 -3.541) 10.766 3.159 ( 11.297 2.809 7.984) 14.116 3.249 ( 8.088 -0.121 -3.478) 8.805 3.333 ( 4.846 2.566 8.156) 9.828 3.387 ( 2.635 18.011 6.236) 19.241 3.467 ( 2.387 8.375 -1.272) 8.801 3.508 ( 1.161 14.220 -4.525) 14.968 3.622 ( 0.736 15.818 9.766) 18.604 3.752 ( -2.340 11.503 -0.263) 11.741 3.797 ( -3.733 -2.226 -0.613) 4.389 3.913 ( 1.050 -4.335 -8.659) 9.741 4.020 ( 1.949 0.211 -0.689) 2.077 4.055 ( 2.882 3.404 -3.446) 5.637 4.193 ( 0.059 0.220 0.299) 0.376 4.210 ( -0.920 -1.021 -2.635) 2.972 4.301 ( -4.291 -0.164 1.952) 4.717 4.376 ( -9.035 3.249 2.593) 9.946 4.446 ( -5.172 5.397 -1.026) 7.545 4.564 ( -6.080 2.347 -5.228) 8.355 4.850 ( 3.579 0.852 2.885) 4.675 4.889 ( 2.289 -1.111 1.958) 3.211 4.977 ( -0.193 2.633 -3.806) 4.632 5.057 ( -2.751 -0.633 -7.354) 7.877 5.225 ( 1.582 3.289 3.755) 5.237 5.295 ( -1.771 5.321 -2.898) 6.313 5.451 ( 4.508 6.842 3.561) 8.934 5.520 ( 1.966 7.042 -1.989) 7.577 5.633 ( 0.655 0.794 2.628) 2.823 5.684 ( -0.874 0.546 -1.204) 1.585 5.839 ( 2.629 7.663 4.648) 9.340 5.920 ( -0.048 8.825 -2.782) 9.253 6.466 ( 0.511 2.291 8.501) 8.819 6.560 ( -3.368 -1.379 0.235) 3.647 6.780 ( 2.795 -1.803 3.264) 4.660 6.872 ( 3.328 1.343 -3.697) 5.153 6.942 ( 0.408 -0.216 -1.787) 1.846 6.971 ( 0.475 1.316 -3.151) 3.448 7.032 ( -2.976 -0.177 -2.549) 3.922 7.086 ( -2.824 2.112 -5.180) 6.266 7.470 ( 5.340 5.204 6.295) 9.758 7.606 ( 0.060 4.745 -1.796) 5.073 7.647 ( 2.444 5.319 -0.448) 5.870 7.751 ( 2.226 6.929 -4.182) 8.394 7.871 ( -6.145 4.643 3.348) 8.398 7.912 ( -7.856 6.212 -0.037) 10.015 8.482 ( -1.054 3.486 0.704) 3.709 8.576 ( -1.673 2.839 -5.729) 6.609 8.867 ( 8.015 -2.069 5.212) 9.782 8.900 ( 5.587 6.376 4.261) 9.488 8.952 ( 5.951 5.117 -1.630) 8.016 8.994 ( 2.996 10.214 -4.147) 11.424 9.127 ( -2.744 12.016 1.132) 12.377 9.156 ( -1.734 10.625 -1.672) 10.894 9.560 ( 2.062 1.073 0.030) 2.324 9.574 ( 0.228 5.248 -1.108) 5.368 9.785 ( -4.501 10.609 4.462) 12.358 9.875 ( 0.578 11.347 -3.813) 11.985 10.211 ( 6.060 1.444 4.124) 7.472 10.248 ( -11.079 7.743 6.841) 15.149 10.287 ( -3.583 1.391 -1.815) 4.251 10.412 ( -0.751 -1.129 -6.089) 6.238 10.484 ( -1.648 8.838 0.589) 9.009 10.575 ( -2.735 4.382 -7.667) 9.245 11.130 ( 0.707 1.374 5.621) 5.829 11.210 ( -3.404 3.854 0.155) 5.144 11.344 ( 1.994 2.800 -4.274) 5.485 11.369 ( 0.917 3.019 -5.372) 6.231 12.248 ( 1.266 -5.385 4.056) 6.860 12.308 ( 0.258 -5.179 -1.464) 5.388 12.490 ( 4.785 2.945 4.445) 7.165 12.552 ( 5.540 5.971 -1.737) 8.328 12.774 ( -4.082 -5.122 3.655) 7.500 12.838 ( -2.954 -4.635 -2.941) 6.234 13.156 ( 0.009 -10.325 10.654) 14.836 13.241 ( -2.896 -12.950 1.284) 13.332 13.367 ( 2.699 -4.938 1.585) 5.847 13.509 ( -2.940 -2.459 -8.149) 9.006 13.863 ( 1.742 14.577 -0.693) 14.697 13.967 ( -2.642 14.010 -11.177) 18.116 14.267 ( 1.688 -1.590 -0.045) 2.319 14.308 ( 1.215 -0.917 -3.435) 3.757 15.479 ( 1.863 -2.620 13.786) 14.156 15.657 ( -6.863 -2.834 -1.397) 7.555 16.022 ( 7.788 -5.786 -0.273) 9.706 16.146 ( 1.401 -5.407 -9.621) 11.125 16.662 ( -2.903 -6.609 0.289) 7.224 16.685 ( -3.196 -5.845 -1.952) 6.942 16.953 ( 3.056 -2.243 6.869) 7.846 17.051 ( -1.233 -1.702 -2.580) 3.328 17.578 ( 1.105 -3.038 3.711) 4.922 17.607 ( -0.083 -3.517 0.962) 3.647 ======================= Grid point 142 (51/60) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -6.542 12.792 11.555) 18.437 1.748 ( 6.542 12.792 11.555) 18.437 1.850 ( -7.347 5.858 12.243) 15.433 1.850 ( 7.347 5.858 12.243) 15.433 1.964 ( -2.646 7.750 -7.468) 11.083 1.964 ( 2.646 7.750 -7.468) 11.083 2.093 ( -1.042 0.533 -3.102) 3.315 2.093 ( 1.042 0.533 -3.102) 3.315 2.218 ( -1.284 1.337 -2.946) 3.480 2.218 ( 1.284 1.337 -2.946) 3.480 2.557 ( -1.438 0.583 -0.334) 1.587 2.557 ( 1.438 0.583 -0.334) 1.587 2.684 ( -4.352 4.385 2.376) 6.619 2.684 ( 4.352 4.385 2.376) 6.619 2.754 ( -3.894 0.266 -2.653) 4.720 2.754 ( 3.894 0.266 -2.653) 4.720 2.872 ( -0.473 13.240 -1.860) 13.378 2.872 ( 0.473 13.240 -1.860) 13.378 3.327 ( -2.505 0.519 -2.074) 3.293 3.327 ( 2.505 0.519 -2.074) 3.293 3.408 ( -3.833 9.994 6.420) 12.482 3.408 ( 3.833 9.994 6.420) 12.482 3.483 ( -2.343 14.379 -0.115) 14.569 3.483 ( 2.343 14.379 -0.115) 14.569 3.726 ( -3.109 0.520 2.544) 4.051 3.726 ( 3.109 0.520 2.544) 4.051 3.842 ( -15.047 7.267 8.186) 18.607 3.842 ( 15.047 7.267 8.186) 18.607 4.040 ( -2.204 1.191 1.379) 2.859 4.040 ( 2.204 1.191 1.379) 2.859 4.149 ( -2.555 -0.494 -3.715) 4.536 4.149 ( 2.555 -0.494 -3.715) 4.536 4.288 ( -2.656 -2.117 0.192) 3.402 4.288 ( 2.656 -2.117 0.192) 3.402 4.450 ( -3.736 7.939 -7.626) 11.625 4.450 ( 3.736 7.939 -7.626) 11.625 4.899 ( -1.254 1.215 2.004) 2.658 4.899 ( 1.254 1.215 2.004) 2.658 5.002 ( -2.226 1.067 -7.295) 7.702 5.002 ( 2.226 1.067 -7.295) 7.702 5.261 ( -1.573 3.953 0.412) 4.274 5.261 ( 1.573 3.953 0.412) 4.274 5.519 ( -1.751 5.800 2.084) 6.407 5.519 ( 1.751 5.800 2.084) 6.407 5.659 ( -1.560 0.198 -0.215) 1.587 5.659 ( 1.560 0.198 -0.215) 1.587 5.897 ( -2.428 8.439 1.156) 8.857 5.897 ( 2.428 8.439 1.156) 8.857 6.496 ( -2.572 1.557 4.659) 5.545 6.496 ( 2.572 1.557 4.659) 5.545 6.859 ( -3.988 -0.945 0.696) 4.157 6.859 ( 3.988 -0.945 0.696) 4.157 6.967 ( -2.477 1.846 -3.316) 4.532 6.967 ( 2.477 1.846 -3.316) 4.532 7.019 ( -3.133 -0.602 -6.100) 6.884 7.019 ( 3.133 -0.602 -6.100) 6.884 7.590 ( -4.266 2.566 4.243) 6.541 7.590 ( 4.266 2.566 4.243) 6.541 7.733 ( -5.317 3.566 -1.365) 6.546 7.733 ( 5.317 3.566 -1.365) 6.546 7.785 ( -2.577 10.311 2.349) 10.885 7.785 ( 2.577 10.311 2.349) 10.885 8.509 ( -3.544 3.577 -6.051) 7.872 8.509 ( 3.544 3.577 -6.051) 7.872 8.981 ( -1.657 3.050 3.620) 5.016 8.981 ( 1.657 3.050 3.620) 5.016 9.034 ( -2.678 3.798 0.587) 4.684 9.034 ( 2.678 3.798 0.587) 4.684 9.109 ( -2.715 15.369 0.086) 15.607 9.109 ( 2.715 15.369 0.086) 15.607 9.547 ( -1.102 3.556 -0.826) 3.813 9.547 ( 1.102 3.556 -0.826) 3.813 9.842 ( -7.089 12.257 4.219) 14.775 9.842 ( 7.089 12.257 4.219) 14.775 10.147 ( -4.929 4.661 -0.163) 6.786 10.147 ( 4.929 4.661 -0.163) 6.786 10.359 ( -5.458 0.960 -3.499) 6.554 10.359 ( 5.458 0.960 -3.499) 6.554 10.503 ( -3.347 5.762 -3.473) 7.514 10.503 ( 3.347 5.762 -3.473) 7.514 11.156 ( -1.958 1.600 2.676) 3.681 11.156 ( 1.958 1.600 2.676) 3.681 11.373 ( -0.727 2.547 -4.036) 4.827 11.373 ( 0.727 2.547 -4.036) 4.827 12.288 ( -2.139 -6.685 1.183) 7.118 12.288 ( 2.139 -6.685 1.183) 7.118 12.585 ( -3.346 4.787 4.673) 7.480 12.585 ( 3.346 4.787 4.673) 7.480 12.762 ( -3.506 -4.536 -2.968) 6.456 12.762 ( 3.506 -4.536 -2.968) 6.456 13.177 ( -2.511 -13.786 4.181) 14.624 13.177 ( 2.511 -13.786 4.181) 14.624 13.438 ( -3.872 -2.918 -0.405) 4.866 13.438 ( 3.872 -2.918 -0.405) 4.866 13.909 ( -2.812 13.920 -8.337) 16.468 13.909 ( 2.812 13.920 -8.337) 16.468 14.306 ( -1.452 -0.411 -0.371) 1.554 14.306 ( 1.452 -0.411 -0.371) 1.554 15.542 ( -4.493 -2.160 6.352) 8.075 15.542 ( 4.493 -2.160 6.352) 8.075 16.138 ( -3.076 -6.565 -5.150) 8.893 16.138 ( 3.076 -6.565 -5.150) 8.893 16.635 ( -0.857 -5.497 -1.199) 5.691 16.635 ( 0.857 -5.497 -1.199) 5.691 17.012 ( -2.590 -1.967 2.450) 4.072 17.012 ( 2.590 -1.967 2.450) 4.072 17.599 ( -0.795 -3.404 2.262) 4.164 17.599 ( 0.795 -3.404 2.262) 4.164 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 0.000 3.349 13.694) 14.098 1.819 ( 0.000 5.838 6.004) 8.375 2.025 ( 0.000 0.626 0.497) 0.799 2.042 ( 0.000 -3.899 1.641) 4.230 2.072 ( 0.000 5.222 -1.784) 5.519 2.084 ( 0.000 2.859 -0.973) 3.020 2.164 ( 0.000 0.986 4.302) 4.414 2.249 ( 0.000 1.365 -5.514) 5.681 2.369 ( 0.000 -0.068 4.485) 4.486 2.475 ( 0.000 -0.376 -2.989) 3.013 2.581 ( 0.000 3.719 0.677) 3.781 2.613 ( 0.000 1.929 -4.632) 5.017 2.704 ( 0.000 14.018 0.383) 14.024 2.710 ( 0.000 6.627 1.403) 6.774 2.751 ( 0.000 3.303 5.459) 6.380 2.855 ( 0.000 0.543 -3.407) 3.450 3.099 ( 0.000 5.619 2.027) 5.973 3.147 ( 0.000 7.603 -3.226) 8.259 3.198 ( 0.000 7.162 3.678) 8.052 3.217 ( 0.000 16.461 2.514) 16.652 3.327 ( 0.000 6.302 4.490) 7.738 3.377 ( 0.000 -3.510 -0.543) 3.552 3.685 ( 0.000 -5.926 -1.394) 6.088 3.703 ( 0.000 9.919 0.906) 9.960 3.757 ( 0.000 -9.205 -3.972) 10.026 3.771 ( 0.000 5.582 -2.889) 6.285 3.990 ( 0.000 -2.125 -0.143) 2.130 4.013 ( 0.000 5.445 -2.005) 5.803 4.094 ( 0.000 12.101 3.615) 12.629 4.174 ( 0.000 13.073 -2.744) 13.358 4.265 ( 0.000 13.919 5.338) 14.907 4.373 ( 0.000 15.565 -5.390) 16.472 4.395 ( 0.000 10.716 7.427) 13.038 4.597 ( 0.000 6.643 -7.621) 10.110 4.626 ( 0.000 2.049 -1.880) 2.781 4.631 ( 0.000 1.099 -0.342) 1.151 4.826 ( 0.000 1.549 2.605) 3.030 4.832 ( 0.000 4.376 0.998) 4.489 5.061 ( 0.000 5.013 -2.567) 5.632 5.067 ( 0.000 1.808 -2.402) 3.007 5.356 ( 0.000 9.946 5.732) 11.479 5.404 ( 0.000 7.747 2.442) 8.123 5.631 ( 0.000 10.828 -1.236) 10.898 5.665 ( 0.000 11.892 -5.082) 12.933 5.687 ( 0.000 2.750 4.687) 5.434 5.747 ( 0.000 3.057 -0.816) 3.164 5.883 ( 0.000 1.545 7.202) 7.366 6.016 ( 0.000 1.279 -5.570) 5.715 6.517 ( 0.000 -1.418 2.593) 2.956 6.589 ( 0.000 8.758 -2.865) 9.215 6.782 ( 0.000 -0.803 3.240) 3.338 6.826 ( 0.000 1.250 -2.366) 2.676 6.931 ( 0.000 -0.119 -3.892) 3.894 6.958 ( 0.000 -2.841 -6.166) 6.789 7.093 ( 0.000 1.565 2.805) 3.212 7.148 ( 0.000 -0.166 -2.254) 2.260 7.643 ( 0.000 17.389 10.047) 20.082 7.733 ( 0.000 5.027 -3.370) 6.052 7.765 ( 0.000 8.172 -2.965) 8.694 7.916 ( 0.000 16.095 -11.749) 19.927 8.073 ( 0.000 9.201 7.634) 11.956 8.188 ( 0.000 11.947 -2.036) 12.119 8.589 ( 0.000 1.009 6.658) 6.734 8.637 ( 0.000 6.582 1.705) 6.799 8.670 ( 0.000 -6.468 3.044) 7.148 8.755 ( 0.000 -6.145 -6.090) 8.652 9.065 ( 0.000 7.741 -0.794) 7.782 9.093 ( 0.000 1.317 -5.113) 5.280 9.454 ( 0.000 19.075 1.485) 19.133 9.471 ( 0.000 20.021 -0.077) 20.021 9.696 ( 0.000 15.773 5.155) 16.593 9.818 ( 0.000 17.766 -5.992) 18.750 10.047 ( 0.000 7.485 4.142) 8.554 10.106 ( 0.000 7.698 0.376) 7.707 10.219 ( 0.000 8.805 4.743) 10.002 10.288 ( 0.000 2.411 -1.245) 2.714 10.483 ( 0.000 12.740 2.305) 12.947 10.607 ( 0.000 10.717 -1.714) 10.853 10.694 ( 0.000 10.308 6.398) 12.133 10.770 ( 0.000 12.612 -7.023) 14.435 11.175 ( 0.000 4.009 2.584) 4.769 11.313 ( 0.000 1.266 -10.134) 10.212 11.449 ( 0.000 10.211 -1.237) 10.286 11.460 ( 0.000 6.121 -2.372) 6.565 12.185 ( 0.000 -2.595 1.477) 2.986 12.199 ( 0.000 -5.806 0.811) 5.863 12.466 ( 0.000 -2.130 2.994) 3.674 12.525 ( 0.000 2.056 -2.046) 2.901 12.679 ( 0.000 -11.643 3.660) 12.205 12.751 ( 0.000 -6.181 -1.347) 6.326 13.008 ( 0.000 -9.478 7.157) 11.877 13.043 ( 0.000 -11.546 0.740) 11.570 13.257 ( 0.000 -0.310 2.297) 2.318 13.496 ( 0.000 -1.643 -16.269) 16.351 14.092 ( 0.000 5.221 5.647) 7.691 14.174 ( 0.000 -5.975 -3.419) 6.884 14.284 ( 0.000 7.374 -3.701) 8.251 14.302 ( 0.000 16.525 -6.152) 17.634 15.384 ( 0.000 -4.595 15.292) 15.967 15.645 ( 0.000 -8.646 -10.892) 13.906 15.804 ( 0.000 -5.067 7.985) 9.456 16.004 ( 0.000 -7.746 -10.914) 13.383 16.475 ( 0.000 -15.198 0.736) 15.216 16.520 ( 0.000 -14.021 -3.628) 14.483 16.907 ( 0.000 1.333 9.872) 9.962 17.047 ( 0.000 0.221 -4.113) 4.119 17.490 ( 0.000 -4.923 3.741) 6.183 17.514 ( 0.000 -6.043 1.512) 6.229 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 2.539 4.230 13.375) 14.256 1.872 ( 4.033 3.982 3.139) 6.479 2.002 ( -4.276 0.890 1.259) 4.546 2.022 ( -1.718 1.383 1.434) 2.631 2.033 ( -0.710 2.069 2.533) 3.347 2.093 ( -1.147 0.974 -0.965) 1.788 2.118 ( -2.176 2.771 1.480) 3.821 2.203 ( -4.694 -0.422 -5.042) 6.902 2.312 ( -3.637 2.327 3.061) 5.293 2.372 ( -8.487 6.133 -1.197) 10.540 2.557 ( 3.938 1.046 1.035) 4.203 2.626 ( 1.556 0.941 -4.967) 5.289 2.721 ( -0.245 4.793 0.461) 4.821 2.744 ( 0.264 7.802 -1.367) 7.926 2.852 ( 5.249 7.085 3.593) 9.522 2.892 ( 0.769 8.104 -0.290) 8.146 3.069 ( -0.652 8.613 0.986) 8.693 3.095 ( 1.312 4.213 -1.676) 4.720 3.257 ( 1.487 2.266 1.019) 2.895 3.267 ( 0.085 3.830 -0.352) 3.847 3.413 ( 9.791 9.002 7.502) 15.270 3.471 ( 8.070 -0.295 0.859) 8.121 3.664 ( -1.541 -2.714 2.288) 3.870 3.700 ( -0.780 6.982 -1.393) 7.162 3.756 ( 1.556 -0.509 -0.870) 1.854 3.816 ( 2.678 -2.720 -4.444) 5.858 3.941 ( -5.114 10.063 0.503) 11.299 3.981 ( -1.882 4.738 -3.077) 5.955 4.079 ( 0.032 8.303 3.666) 9.077 4.169 ( -1.958 5.318 -2.167) 6.067 4.210 ( -4.877 5.965 4.293) 8.820 4.334 ( -6.545 5.795 -4.599) 9.877 4.393 ( 1.738 18.888 6.666) 20.105 4.524 ( -3.493 10.335 -1.768) 11.051 4.566 ( -0.679 8.738 3.215) 9.336 4.682 ( -0.717 8.430 -7.175) 11.094 4.872 ( 4.723 1.494 2.575) 5.583 4.897 ( 3.850 2.787 -0.364) 4.766 5.057 ( -0.462 4.395 -2.939) 5.307 5.076 ( 0.312 3.456 -4.578) 5.745 5.318 ( -0.573 8.378 5.137) 9.844 5.403 ( -2.165 7.290 -1.578) 7.767 5.633 ( 1.168 11.144 1.799) 11.348 5.674 ( -1.041 3.046 4.243) 5.326 5.704 ( 1.780 9.345 -4.348) 10.459 5.729 ( -1.129 1.728 -1.066) 2.323 5.923 ( 3.652 2.880 6.534) 8.020 6.027 ( 0.381 2.268 -3.381) 4.089 6.502 ( -0.136 0.356 3.167) 3.190 6.593 ( -1.664 5.416 -3.761) 6.800 6.783 ( 2.817 1.047 3.082) 4.305 6.876 ( 2.356 -1.079 -4.381) 5.089 6.945 ( 1.362 -0.509 -4.247) 4.489 6.962 ( 0.142 -2.393 -4.934) 5.486 7.042 ( -3.869 1.763 1.893) 4.654 7.112 ( -3.652 -0.038 -4.127) 5.511 7.632 ( 0.809 10.298 5.724) 11.810 7.742 ( -0.261 9.732 0.624) 9.756 7.771 ( 1.570 8.808 1.546) 9.079 7.948 ( -1.009 11.918 -9.207) 15.094 8.033 ( -2.185 11.863 6.696) 13.796 8.121 ( -3.165 15.272 -0.436) 15.602 8.544 ( -0.060 2.396 0.812) 2.531 8.626 ( -0.714 1.544 -4.633) 4.935 8.796 ( 6.645 -3.480 5.790) 9.475 8.892 ( 8.892 -1.436 -2.339) 9.306 9.080 ( 1.784 5.636 1.950) 6.225 9.144 ( 3.264 1.977 -3.444) 5.140 9.479 ( 2.451 21.841 1.840) 22.055 9.496 ( 3.514 22.267 -0.254) 22.544 9.734 ( 1.861 15.099 2.845) 15.477 9.815 ( -2.714 17.128 -4.296) 17.866 9.986 ( -2.424 9.405 5.799) 11.312 10.055 ( 0.495 5.582 -1.329) 5.760 10.336 ( 2.334 6.101 -0.882) 6.592 10.337 ( 7.420 9.780 0.048) 12.276 10.381 ( -6.492 6.089 2.941) 9.374 10.454 ( -11.495 11.152 2.118) 16.155 10.673 ( -4.374 7.327 -0.986) 8.589 10.755 ( -1.783 13.834 -4.886) 14.779 11.205 ( 2.210 6.998 1.322) 7.456 11.284 ( -2.405 5.053 -5.346) 7.739 11.443 ( -0.207 7.705 -2.097) 7.988 11.455 ( -0.355 5.058 -2.918) 5.850 12.149 ( -1.007 -5.177 3.241) 6.190 12.207 ( -1.124 -5.012 -2.379) 5.661 12.456 ( 0.846 -6.589 8.601) 10.868 12.596 ( -2.032 -10.546 -3.215) 11.210 12.653 ( 4.125 1.309 4.188) 6.022 12.764 ( 1.365 -3.994 -4.231) 5.976 12.949 ( -4.015 -10.518 5.654) 12.598 13.007 ( -3.980 -11.257 -0.835) 11.969 13.296 ( 3.323 -1.415 2.039) 4.147 13.453 ( -3.700 -2.168 -10.887) 11.701 14.086 ( 0.064 4.188 0.106) 4.190 14.146 ( -2.474 -1.571 -5.702) 6.411 14.311 ( 3.490 11.138 0.338) 11.676 14.358 ( 2.490 10.517 -3.716) 11.429 15.411 ( 2.611 -4.172 12.201) 13.157 15.577 ( -4.853 -5.562 -2.895) 7.929 15.879 ( 5.366 -8.378 1.207) 10.021 16.005 ( -0.305 -8.802 -8.955) 12.560 16.461 ( -0.882 -13.839 -0.035) 13.867 16.498 ( -1.938 -13.162 -3.583) 13.778 16.935 ( 2.498 0.743 7.844) 8.265 17.033 ( -1.430 0.151 -1.840) 2.335 17.497 ( 0.595 -5.273 3.333) 6.266 17.514 ( -0.075 -6.038 1.787) 6.298 ======================= Grid point 147 (54/60) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -7.350 3.024 7.688) 11.058 1.856 ( 7.350 3.024 7.688) 11.058 1.971 ( -3.611 3.261 2.049) 5.279 1.971 ( 3.611 3.261 2.049) 5.279 2.038 ( -1.490 1.197 1.219) 2.267 2.038 ( 1.490 1.197 1.219) 2.267 2.125 ( -1.752 1.553 -2.241) 3.242 2.125 ( 1.752 1.553 -2.241) 3.242 2.281 ( -1.268 4.614 1.564) 5.035 2.281 ( 1.268 4.614 1.564) 5.035 2.636 ( -2.199 3.402 -3.171) 5.145 2.636 ( 2.199 3.402 -3.171) 5.145 2.722 ( -1.330 -1.763 -1.097) 2.466 2.722 ( 1.330 -1.763 -1.097) 2.466 2.884 ( -0.979 15.870 0.365) 15.904 2.884 ( 0.979 15.870 0.365) 15.904 3.114 ( -1.748 8.975 1.133) 9.213 3.114 ( 1.748 8.975 1.133) 9.213 3.260 ( -0.158 -7.129 -1.125) 7.219 3.260 ( 0.158 -7.129 -1.125) 7.219 3.589 ( -1.157 9.377 5.457) 10.911 3.589 ( 1.157 9.377 5.457) 10.911 3.637 ( -4.120 -1.715 0.654) 4.511 3.637 ( 4.120 -1.715 0.654) 4.511 3.850 ( -1.515 0.422 0.841) 1.783 3.850 ( 1.515 0.422 0.841) 1.783 3.881 ( -6.080 7.586 -1.128) 9.787 3.881 ( 6.080 7.586 -1.128) 9.787 4.106 ( -1.634 6.135 2.680) 6.892 4.106 ( 1.634 6.135 2.680) 6.892 4.195 ( -4.574 2.172 -3.725) 6.286 4.195 ( 4.574 2.172 -3.725) 6.286 4.447 ( -3.323 18.604 4.581) 19.446 4.447 ( 3.323 18.604 4.581) 19.446 4.623 ( -4.087 9.676 -3.526) 11.080 4.623 ( 4.087 9.676 -3.526) 11.080 4.939 ( -0.701 3.192 0.749) 3.353 4.939 ( 0.701 3.192 0.749) 3.353 5.062 ( -1.266 4.533 -4.951) 6.831 5.062 ( 1.266 4.533 -4.951) 6.831 5.347 ( -2.740 6.752 0.472) 7.302 5.347 ( 2.740 6.752 0.472) 7.302 5.653 ( -0.894 5.766 3.602) 6.857 5.653 ( 0.894 5.766 3.602) 6.857 5.720 ( -0.190 5.591 -2.755) 6.236 5.720 ( 0.190 5.591 -2.755) 6.236 6.001 ( -3.166 3.298 2.482) 5.202 6.001 ( 3.166 3.298 2.482) 5.202 6.534 ( -3.090 2.170 -0.074) 3.777 6.534 ( 3.090 2.170 -0.074) 3.777 6.866 ( -3.712 0.377 -2.344) 4.407 6.866 ( 3.712 0.377 -2.344) 4.407 6.960 ( -1.023 -2.405 -1.751) 3.146 6.960 ( 1.023 -2.405 -1.751) 3.146 7.029 ( -3.642 1.337 -4.596) 6.014 7.029 ( 3.642 1.337 -4.596) 6.014 7.697 ( -4.274 8.351 5.752) 11.004 7.697 ( 4.274 8.351 5.752) 11.004 7.836 ( -6.066 7.445 -3.710) 10.295 7.836 ( 6.066 7.445 -3.710) 10.295 8.069 ( -3.652 18.302 4.716) 19.249 8.069 ( 3.652 18.302 4.716) 19.249 8.584 ( -2.988 3.886 -5.968) 7.723 8.584 ( 2.988 3.886 -5.968) 7.723 8.924 ( -4.953 -3.734 2.001) 6.517 8.924 ( 4.953 -3.734 2.001) 6.517 9.149 ( -3.085 5.395 1.138) 6.318 9.149 ( 3.085 5.395 1.138) 6.318 9.558 ( -2.327 25.111 3.275) 25.430 9.558 ( 2.327 25.111 3.275) 25.430 9.717 ( -2.577 12.749 -2.099) 13.175 9.717 ( 2.577 12.749 -2.099) 13.175 10.071 ( -5.320 9.845 -0.060) 11.191 10.071 ( 5.320 9.845 -0.060) 11.191 10.259 ( -2.282 7.949 1.188) 8.355 10.259 ( 2.282 7.949 1.188) 8.355 10.423 ( -1.978 7.600 2.403) 8.213 10.423 ( 1.978 7.600 2.403) 8.213 10.657 ( -5.421 8.511 -6.111) 11.797 10.657 ( 5.421 8.511 -6.111) 11.797 11.243 ( -1.651 9.026 -0.341) 9.182 11.243 ( 1.651 9.026 -0.341) 9.182 11.447 ( -0.439 4.909 -2.839) 5.687 11.447 ( 0.439 4.909 -2.839) 5.687 12.164 ( -2.273 -6.290 1.340) 6.821 12.164 ( 2.273 -6.290 1.340) 6.821 12.504 ( -4.132 -11.016 5.772) 13.105 12.504 ( 4.132 -11.016 5.772) 13.105 12.763 ( -3.582 1.706 -3.417) 5.236 12.763 ( 3.582 1.706 -3.417) 5.236 12.921 ( -2.872 -12.494 1.186) 12.874 12.921 ( 2.872 -12.494 1.186) 12.874 13.372 ( -4.108 -2.485 -2.689) 5.503 13.372 ( 4.108 -2.485 -2.689) 5.503 14.103 ( -1.608 2.306 -4.640) 5.426 14.103 ( 1.608 2.306 -4.640) 5.426 14.369 ( -1.494 10.355 -0.232) 10.464 14.369 ( 1.494 10.355 -0.232) 10.464 15.483 ( -4.341 -3.923 5.102) 7.763 15.483 ( 4.341 -3.923 5.102) 7.763 15.971 ( -3.315 -10.033 -4.166) 11.358 15.971 ( 3.315 -10.033 -4.166) 11.358 16.461 ( -1.185 -12.398 -2.312) 12.667 16.461 ( 1.185 -12.398 -2.312) 12.667 16.990 ( -2.678 0.197 3.124) 4.120 16.990 ( 2.678 0.197 3.124) 4.120 17.509 ( -0.476 -5.824 2.501) 6.356 17.509 ( 0.476 -5.824 2.501) 6.356 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 0.000 3.618 9.162) 9.851 1.906 ( 0.000 3.505 -0.323) 3.520 1.974 ( 0.000 -3.067 3.103) 4.363 2.004 ( 0.000 -1.279 -0.190) 1.293 2.159 ( 0.000 3.642 0.913) 3.755 2.160 ( 0.000 3.516 1.259) 3.735 2.190 ( 0.000 2.156 3.017) 3.708 2.250 ( 0.000 0.201 -3.087) 3.093 2.387 ( 0.000 2.670 6.176) 6.729 2.475 ( 0.000 0.185 1.163) 1.178 2.619 ( 0.000 0.896 0.447) 1.001 2.642 ( 0.000 -0.034 -3.471) 3.471 2.747 ( 0.000 1.251 5.548) 5.688 2.825 ( 0.000 0.486 -0.323) 0.583 2.837 ( 0.000 4.098 -0.050) 4.098 2.909 ( 0.000 2.761 -5.976) 6.583 3.111 ( 0.000 -1.671 0.664) 1.798 3.119 ( 0.000 -5.619 -0.608) 5.652 3.346 ( 0.000 2.437 4.802) 5.385 3.375 ( 0.000 0.864 0.401) 0.953 3.394 ( 0.000 2.656 0.657) 2.736 3.483 ( 0.000 -8.330 -6.209) 10.390 3.593 ( 0.000 -5.313 0.360) 5.325 3.610 ( 0.000 5.414 -0.883) 5.485 3.818 ( 0.000 4.292 1.663) 4.603 3.883 ( 0.000 11.527 -4.067) 12.224 3.960 ( 0.000 0.188 4.680) 4.684 4.063 ( 0.000 2.581 -5.482) 6.059 4.338 ( 0.000 9.351 2.540) 9.690 4.364 ( 0.000 14.440 -0.333) 14.444 4.450 ( 0.000 7.431 6.372) 9.788 4.596 ( 0.000 5.317 -3.584) 6.412 4.638 ( 0.000 3.687 1.263) 3.897 4.660 ( 0.000 2.333 -3.659) 4.339 4.699 ( 0.000 7.368 1.257) 7.474 4.703 ( 0.000 4.447 0.713) 4.504 4.903 ( 0.000 6.064 2.616) 6.604 4.955 ( 0.000 5.407 -1.541) 5.622 5.156 ( 0.000 7.652 0.311) 7.659 5.190 ( 0.000 7.328 -2.182) 7.645 5.486 ( 0.000 -6.400 3.934) 7.512 5.531 ( 0.000 -0.560 0.450) 0.718 5.638 ( 0.000 1.155 4.195) 4.351 5.710 ( 0.000 -3.785 -2.869) 4.749 5.902 ( 0.000 14.868 -0.012) 14.868 5.924 ( 0.000 16.929 -3.574) 17.303 6.027 ( 0.000 13.176 5.209) 14.168 6.103 ( 0.000 9.255 -2.703) 9.641 6.527 ( 0.000 1.621 8.507) 8.660 6.717 ( 0.000 3.183 -5.878) 6.685 6.756 ( 0.000 -1.653 4.844) 5.119 6.813 ( 0.000 -1.542 -3.432) 3.763 6.890 ( 0.000 -3.607 -6.030) 7.026 6.918 ( 0.000 -1.546 -7.345) 7.506 7.073 ( 0.000 -4.052 0.408) 4.073 7.107 ( 0.000 -4.065 -2.020) 4.540 7.858 ( 0.000 7.947 -0.128) 7.948 7.949 ( 0.000 12.009 -9.258) 15.163 8.002 ( 0.000 13.133 8.130) 15.446 8.176 ( 0.000 8.185 -7.738) 11.263 8.272 ( 0.000 12.180 10.077) 15.808 8.425 ( 0.000 11.981 -4.139) 12.675 8.511 ( 0.000 -7.249 2.525) 7.676 8.610 ( 0.000 -8.178 -8.747) 11.975 8.658 ( 0.000 4.374 5.698) 7.183 8.747 ( 0.000 3.843 -1.720) 4.210 9.150 ( 0.000 5.903 2.526) 6.421 9.190 ( 0.000 5.524 -0.312) 5.533 9.769 ( 0.000 6.657 10.656) 12.565 9.839 ( 0.000 17.376 3.187) 17.666 9.958 ( 0.000 11.869 -2.536) 12.137 10.002 ( 0.000 -2.252 -0.796) 2.389 10.239 ( 0.000 15.977 5.746) 16.979 10.264 ( 0.000 15.937 5.249) 16.779 10.452 ( 0.000 13.335 -2.039) 13.490 10.480 ( 0.000 11.545 -7.665) 13.858 10.742 ( 0.000 10.103 4.105) 10.905 10.823 ( 0.000 10.954 -3.145) 11.396 10.942 ( 0.000 15.201 4.197) 15.770 11.014 ( 0.000 9.906 -3.706) 10.577 11.275 ( 0.000 6.191 -0.107) 6.192 11.363 ( 0.000 2.563 -8.939) 9.299 11.621 ( 0.000 13.409 0.239) 13.411 11.675 ( 0.000 14.455 -4.498) 15.139 12.095 ( 0.000 -4.095 1.700) 4.434 12.129 ( 0.000 -3.381 -2.150) 4.007 12.363 ( 0.000 -7.840 2.319) 8.176 12.404 ( 0.000 -13.594 0.575) 13.607 12.568 ( 0.000 -0.906 1.877) 2.085 12.604 ( 0.000 -8.362 0.245) 8.366 12.804 ( 0.000 -11.411 4.564) 12.290 12.817 ( 0.000 -11.839 1.036) 11.884 13.329 ( 0.000 7.034 0.263) 7.039 13.504 ( 0.000 2.876 -14.604) 14.885 14.017 ( 0.000 -10.404 -2.363) 10.669 14.027 ( 0.000 -7.766 -2.804) 8.257 14.566 ( 0.000 17.222 2.552) 17.410 14.623 ( 0.000 16.518 -3.830) 16.956 15.302 ( 0.000 -3.726 9.858) 10.539 15.452 ( 0.000 -11.045 -5.733) 12.444 15.701 ( 0.000 -5.827 3.523) 6.810 15.836 ( 0.000 -9.520 -8.431) 12.717 16.172 ( 0.000 -14.296 1.411) 14.365 16.238 ( 0.000 -13.866 -4.895) 14.704 16.959 ( 0.000 4.128 8.699) 9.629 17.072 ( 0.000 2.439 -2.521) 3.508 17.379 ( 0.000 -7.891 2.950) 8.424 17.380 ( 0.000 -6.335 2.644) 6.865 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 2.434 3.526 7.781) 8.882 1.921 ( 0.911 1.813 -1.289) 2.404 1.957 ( -1.066 -2.627 3.254) 4.316 2.001 ( -0.756 -1.909 -0.781) 2.197 2.127 ( -1.630 4.746 2.499) 5.606 2.153 ( -1.499 3.481 0.539) 3.828 2.167 ( -1.611 3.124 1.750) 3.926 2.204 ( -3.642 1.439 -1.430) 4.169 2.362 ( -0.526 3.386 6.593) 7.430 2.491 ( -5.916 5.884 -2.296) 8.654 2.575 ( 3.968 1.247 2.648) 4.930 2.642 ( 1.155 0.468 -2.865) 3.124 2.723 ( -2.699 -1.869 2.137) 3.917 2.789 ( -3.982 0.748 -4.083) 5.752 2.906 ( 7.845 -1.185 6.457) 10.230 3.015 ( 4.958 -6.939 -2.990) 9.037 3.118 ( 0.901 5.405 0.491) 5.502 3.135 ( 1.158 -0.252 -2.186) 2.487 3.270 ( -4.790 -1.533 2.565) 5.645 3.325 ( -3.657 2.193 -2.144) 4.773 3.469 ( 5.013 -1.213 1.740) 5.443 3.513 ( 2.332 -3.114 -2.641) 4.702 3.649 ( 3.540 -5.053 -0.184) 6.172 3.657 ( 3.739 -2.710 -0.403) 4.635 3.844 ( 2.327 5.794 1.124) 6.344 3.880 ( -0.100 11.955 -2.153) 12.148 3.962 ( 0.660 -0.101 2.396) 2.488 4.015 ( -3.803 1.549 -2.931) 5.045 4.264 ( -7.431 11.726 4.087) 14.471 4.285 ( -5.620 7.881 1.558) 9.804 4.426 ( -0.215 12.420 2.066) 12.593 4.516 ( -4.483 11.533 -4.529) 13.177 4.662 ( 2.343 5.899 1.561) 6.536 4.693 ( 0.116 6.959 -0.670) 6.992 4.732 ( 2.728 5.783 2.718) 6.948 4.786 ( 3.400 1.713 -1.705) 4.172 4.949 ( 4.293 5.627 1.937) 7.338 4.992 ( 4.724 5.082 -1.904) 7.195 5.133 ( -2.331 5.608 1.388) 6.230 5.179 ( -1.463 6.408 -2.652) 7.088 5.468 ( -0.530 -0.809 4.359) 4.465 5.547 ( -0.433 2.548 -1.758) 3.126 5.605 ( -1.728 -7.014 3.055) 7.843 5.672 ( -2.943 -3.872 -3.042) 5.737 5.909 ( 1.089 16.984 0.912) 17.043 5.943 ( 0.873 16.526 -2.233) 16.699 6.064 ( 3.107 11.375 4.827) 12.741 6.124 ( 1.318 9.294 -1.353) 9.484 6.524 ( 0.510 1.770 7.651) 7.870 6.678 ( -4.342 2.794 -1.286) 5.321 6.784 ( 3.452 -0.977 -1.916) 4.067 6.838 ( 1.817 -2.786 -2.741) 4.310 6.886 ( -0.458 -3.762 -5.535) 6.708 6.929 ( 0.197 -1.933 -6.151) 6.451 7.031 ( -2.875 -3.683 -0.824) 4.744 7.075 ( -3.028 -3.957 -3.919) 6.339 7.827 ( 0.057 9.835 2.404) 10.125 7.916 ( -2.101 9.072 -5.504) 10.817 7.996 ( -2.812 9.229 6.165) 11.450 8.123 ( -6.199 5.813 -6.019) 10.414 8.314 ( 5.123 16.280 8.682) 19.148 8.450 ( 2.676 15.906 -2.469) 16.318 8.560 ( 5.844 -0.736 -1.439) 6.063 8.616 ( 3.882 -1.546 -3.510) 5.457 8.762 ( 4.187 0.676 7.128) 8.295 8.905 ( 8.875 1.996 -4.673) 10.227 9.170 ( 0.820 2.443 1.647) 3.058 9.181 ( 1.487 4.085 -0.724) 4.408 9.778 ( 3.515 7.247 7.600) 11.074 9.868 ( 1.287 13.303 -0.042) 13.365 9.984 ( -0.909 7.360 0.886) 7.469 10.055 ( 3.838 1.527 -3.108) 5.169 10.174 ( -4.046 16.922 4.639) 18.006 10.249 ( 0.720 19.098 -1.642) 19.182 10.417 ( 1.011 6.369 5.286) 8.338 10.606 ( 5.166 13.155 -7.425) 15.965 10.680 ( -4.963 15.892 1.416) 16.709 10.695 ( -7.001 13.590 1.073) 15.325 10.802 ( -10.998 9.090 4.529) 14.970 10.990 ( -3.855 9.427 -7.498) 12.647 11.366 ( 6.703 8.044 1.069) 10.525 11.442 ( 6.036 7.127 -5.770) 10.978 11.586 ( -3.393 12.341 0.993) 12.837 11.646 ( -2.891 14.378 -4.542) 15.353 12.051 ( -2.331 -4.316 2.587) 5.546 12.118 ( -2.844 -4.250 -3.703) 6.314 12.283 ( -3.715 -10.032 6.211) 12.370 12.355 ( -4.121 -12.362 -0.228) 13.033 12.607 ( 2.162 -7.667 2.922) 8.484 12.656 ( 4.011 -6.091 -2.268) 7.638 12.736 ( -4.687 -12.231 4.135) 13.735 12.790 ( -2.885 -12.121 -1.467) 12.546 13.353 ( 2.217 7.243 -0.542) 7.594 13.470 ( -2.879 4.661 -10.681) 12.004 14.021 ( 0.456 -8.696 -2.834) 9.157 14.032 ( 0.240 -7.921 -3.609) 8.708 14.605 ( 3.185 17.219 2.269) 17.657 14.650 ( 1.736 16.835 -2.672) 17.134 15.331 ( 2.695 -4.072 7.416) 8.880 15.439 ( -1.431 -8.903 -3.607) 9.712 15.729 ( 2.568 -6.746 2.307) 7.578 15.829 ( -0.936 -8.684 -6.334) 10.789 16.167 ( -0.175 -15.353 -0.058) 15.354 16.219 ( -1.741 -14.655 -4.833) 15.529 16.980 ( 1.864 3.840 7.165) 8.340 17.059 ( -1.265 2.639 -0.739) 3.018 17.380 ( 0.104 -7.686 2.875) 8.207 17.381 ( 0.054 -6.649 2.682) 7.170 ======================= Grid point 152 (57/60) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -3.555 1.212 2.497) 4.510 1.895 ( 3.555 1.212 2.497) 4.510 1.967 ( -2.006 -1.930 0.090) 2.785 1.967 ( 2.006 -1.930 0.090) 2.785 2.118 ( -0.868 5.984 2.222) 6.442 2.118 ( 0.868 5.984 2.222) 6.442 2.155 ( -1.149 2.143 0.517) 2.486 2.155 ( 1.149 2.143 0.517) 2.486 2.387 ( -3.262 6.332 5.214) 8.828 2.387 ( 3.262 6.332 5.214) 8.828 2.670 ( -2.544 -0.024 -1.881) 3.164 2.670 ( 2.544 -0.024 -1.881) 3.164 2.690 ( -4.563 -0.643 -3.180) 5.599 2.690 ( 4.563 -0.643 -3.180) 5.599 3.044 ( -3.307 -9.622 2.990) 10.605 3.044 ( 3.307 -9.622 2.990) 10.605 3.125 ( -1.967 4.205 1.797) 4.978 3.125 ( 1.967 4.205 1.797) 4.978 3.253 ( -3.134 4.337 -3.033) 6.150 3.253 ( 3.134 4.337 -3.033) 6.150 3.539 ( -1.225 -4.158 0.483) 4.361 3.539 ( 1.225 -4.158 0.483) 4.361 3.694 ( -0.481 -5.636 -1.969) 5.990 3.694 ( 0.481 -5.636 -1.969) 5.990 3.884 ( -1.228 5.039 0.017) 5.187 3.884 ( 1.228 5.039 0.017) 5.187 3.971 ( -1.687 2.963 0.925) 3.533 3.971 ( 1.687 2.963 0.925) 3.533 4.183 ( -1.996 11.525 4.087) 12.390 4.183 ( 1.996 11.525 4.087) 12.390 4.447 ( -2.299 15.067 -2.114) 15.387 4.447 ( 2.299 15.067 -2.114) 15.387 4.690 ( -0.567 6.429 -0.214) 6.458 4.690 ( 0.567 6.429 -0.214) 6.458 4.785 ( -2.293 5.058 1.018) 5.646 4.785 ( 2.293 5.058 1.018) 5.646 5.052 ( -4.745 6.686 2.071) 8.456 5.052 ( 4.745 6.686 2.071) 8.456 5.115 ( -4.842 2.793 -2.726) 6.219 5.115 ( 4.842 2.793 -2.726) 6.219 5.492 ( -2.950 3.128 3.115) 5.310 5.492 ( 2.950 3.128 3.115) 5.310 5.619 ( -2.107 -7.625 -3.340) 8.587 5.619 ( 2.107 -7.625 -3.340) 8.587 5.939 ( -1.284 17.362 0.701) 17.423 5.939 ( 1.284 17.362 0.701) 17.423 6.121 ( -1.892 9.732 2.500) 10.224 6.121 ( 1.892 9.732 2.500) 10.224 6.578 ( -4.750 2.281 3.243) 6.187 6.578 ( 4.750 2.281 3.243) 6.187 6.854 ( -2.167 -1.270 -8.359) 8.728 6.854 ( 2.167 -1.270 -8.359) 8.728 6.892 ( -2.907 -4.334 0.231) 5.224 6.892 ( 2.907 -4.334 0.231) 5.224 7.018 ( -1.798 -3.265 -4.561) 5.891 7.018 ( 1.798 -3.265 -4.561) 5.891 7.874 ( -3.223 8.799 2.669) 9.743 7.874 ( 3.223 8.799 2.669) 9.743 7.987 ( -4.752 6.779 -2.266) 8.583 7.987 ( 4.752 6.779 -2.266) 8.583 8.438 ( -4.713 17.817 6.059) 19.400 8.438 ( 4.713 17.817 6.059) 19.400 8.654 ( -0.724 3.364 -3.834) 5.152 8.654 ( 0.724 3.364 -3.834) 5.152 8.886 ( -8.272 0.720 0.616) 8.326 8.886 ( 8.272 0.720 0.616) 8.326 9.215 ( -1.643 0.934 0.882) 2.085 9.215 ( 1.643 0.934 0.882) 2.085 9.893 ( -6.037 7.475 0.867) 9.648 9.893 ( 6.037 7.475 0.867) 9.648 9.949 ( -7.788 9.791 -2.572) 12.773 9.949 ( 7.788 9.791 -2.572) 12.773 10.261 ( -4.903 10.663 2.444) 11.988 10.261 ( 4.903 10.663 2.444) 11.988 10.475 ( -8.051 14.895 -2.058) 17.056 10.475 ( 8.051 14.895 -2.058) 17.056 10.636 ( -4.215 10.486 8.683) 14.252 10.636 ( 4.215 10.486 8.683) 14.252 10.834 ( -10.430 12.519 -8.244) 18.261 10.834 ( 10.430 12.519 -8.244) 18.261 11.492 ( -5.155 12.624 1.795) 13.754 11.492 ( 5.155 12.624 1.795) 13.754 11.562 ( -5.009 8.905 -4.598) 11.204 11.562 ( 5.009 8.905 -4.598) 11.204 12.046 ( -2.331 -5.486 1.606) 6.173 12.046 ( 2.331 -5.486 1.606) 6.173 12.279 ( -2.615 -10.711 1.319) 11.104 12.279 ( 2.615 -10.711 1.319) 11.104 12.654 ( -2.941 -11.744 3.847) 12.703 12.654 ( 2.941 -11.744 3.847) 12.703 12.729 ( -3.091 -9.632 -3.385) 10.667 12.729 ( 3.091 -9.632 -3.385) 10.667 13.408 ( -3.091 6.842 -4.503) 8.755 13.408 ( 3.091 6.842 -4.503) 8.755 14.031 ( -0.371 -7.674 -3.662) 8.511 14.031 ( 0.371 -7.674 -3.662) 8.511 14.657 ( -1.370 17.193 0.292) 17.250 14.657 ( 1.370 17.193 0.292) 17.250 15.393 ( -3.039 -5.566 1.618) 6.545 15.393 ( 3.039 -5.566 1.618) 6.545 15.789 ( -2.974 -7.679 -1.287) 8.334 15.789 ( 2.974 -7.679 -1.287) 8.334 16.181 ( -1.608 -15.965 -3.383) 16.399 16.181 ( 1.608 -15.965 -3.383) 16.399 17.023 ( -2.211 3.200 3.338) 5.125 17.023 ( 2.211 3.200 3.338) 5.125 17.381 ( -0.012 -7.223 2.759) 7.732 17.381 ( 0.012 -7.223 2.759) 7.732 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 0.000 2.913 5.987) 6.658 1.917 ( 0.000 -2.342 4.047) 4.675 1.960 ( 0.000 1.630 -2.223) 2.757 1.984 ( 0.000 -0.961 -1.772) 2.016 2.208 ( 0.000 1.436 0.761) 1.625 2.209 ( 0.000 1.421 0.813) 1.637 2.234 ( 0.000 2.093 1.909) 2.833 2.259 ( 0.000 -0.183 -0.627) 0.653 2.465 ( 0.000 4.532 6.590) 7.998 2.497 ( 0.000 1.947 5.019) 5.383 2.600 ( 0.000 -2.781 1.752) 3.287 2.610 ( 0.000 -1.918 1.287) 2.310 2.780 ( 0.000 1.344 2.758) 3.068 2.809 ( 0.000 -2.254 0.431) 2.294 2.901 ( 0.000 1.888 -1.111) 2.191 2.911 ( 0.000 -0.163 -0.522) 0.547 3.097 ( 0.000 2.873 -0.923) 3.017 3.098 ( 0.000 1.487 -0.393) 1.538 3.248 ( 0.000 -6.524 -2.261) 6.904 3.279 ( 0.000 -8.800 -4.620) 9.939 3.393 ( 0.000 0.910 -0.668) 1.129 3.427 ( 0.000 -1.129 -3.418) 3.600 3.554 ( 0.000 0.629 0.525) 0.819 3.597 ( 0.000 -2.975 -3.470) 4.571 3.892 ( 0.000 3.053 6.714) 7.375 3.936 ( 0.000 -1.615 4.672) 4.943 4.098 ( 0.000 5.218 -5.927) 7.897 4.120 ( 0.000 1.960 -6.225) 6.526 4.556 ( 0.000 3.426 3.798) 5.115 4.563 ( 0.000 3.788 1.941) 4.256 4.615 ( 0.000 9.895 3.065) 10.359 4.645 ( 0.000 0.920 1.366) 1.647 4.701 ( 0.000 9.421 3.153) 9.934 4.756 ( 0.000 1.624 -0.237) 1.641 4.780 ( 0.000 3.241 -2.413) 4.040 4.796 ( 0.000 11.569 -5.576) 12.843 4.999 ( 0.000 -0.409 2.487) 2.520 4.999 ( 0.000 2.601 2.545) 3.639 5.212 ( 0.000 -12.126 0.691) 12.146 5.227 ( 0.000 -9.935 -0.747) 9.964 5.326 ( 0.000 1.273 0.506) 1.370 5.340 ( 0.000 -3.231 -0.958) 3.370 5.692 ( 0.000 2.098 0.528) 2.163 5.710 ( 0.000 0.241 -0.958) 0.988 6.157 ( 0.000 9.604 4.031) 10.416 6.211 ( 0.000 6.209 -0.667) 6.245 6.283 ( 0.000 9.980 0.622) 9.999 6.287 ( 0.000 8.922 -1.514) 9.050 6.575 ( 0.000 4.010 9.589) 10.393 6.677 ( 0.000 -5.405 4.330) 6.926 6.742 ( 0.000 1.223 5.289) 5.429 6.806 ( 0.000 -2.360 -0.835) 2.503 6.843 ( 0.000 0.039 -10.653) 10.653 6.876 ( 0.000 -2.526 -9.960) 10.276 6.975 ( 0.000 -3.434 -3.446) 4.865 7.008 ( 0.000 -5.171 -4.794) 7.051 8.016 ( 0.000 7.640 3.527) 8.415 8.104 ( 0.000 -0.385 6.147) 6.159 8.178 ( 0.000 10.962 -12.007) 16.258 8.251 ( 0.000 1.510 -5.153) 5.370 8.330 ( 0.000 -4.799 3.481) 5.929 8.406 ( 0.000 -10.020 -6.551) 11.971 8.590 ( 0.000 11.937 1.034) 11.982 8.644 ( 0.000 6.753 -4.039) 7.869 8.723 ( 0.000 1.124 3.438) 3.617 8.762 ( 0.000 -2.846 -0.237) 2.856 9.260 ( 0.000 3.659 2.247) 4.293 9.270 ( 0.000 2.312 1.330) 2.667 9.836 ( 0.000 2.966 13.026) 13.359 9.910 ( 0.000 -4.492 7.544) 8.780 10.066 ( 0.000 5.538 4.342) 7.037 10.093 ( 0.000 2.538 1.385) 2.892 10.528 ( 0.000 7.413 0.369) 7.422 10.538 ( 0.000 8.437 0.451) 8.449 10.671 ( 0.000 9.388 -4.728) 10.511 10.699 ( 0.000 9.979 -4.634) 11.002 10.899 ( 0.000 6.972 4.250) 8.165 10.964 ( 0.000 1.855 -2.839) 3.391 11.113 ( 0.000 1.893 0.465) 1.950 11.119 ( 0.000 2.640 -2.884) 3.909 11.372 ( 0.000 -0.242 -6.905) 6.910 11.374 ( 0.000 2.004 -4.660) 5.073 11.955 ( 0.000 13.301 0.882) 13.331 11.965 ( 0.000 8.353 0.793) 8.391 12.081 ( 0.000 2.209 0.196) 2.218 12.095 ( 0.000 1.842 -2.152) 2.833 12.189 ( 0.000 -2.047 3.473) 4.032 12.238 ( 0.000 1.476 -2.203) 2.652 12.427 ( 0.000 -12.676 1.568) 12.773 12.474 ( 0.000 -11.274 -3.200) 11.720 12.611 ( 0.000 -5.750 4.137) 7.083 12.620 ( 0.000 -6.196 2.476) 6.673 13.505 ( 0.000 10.763 -0.065) 10.763 13.604 ( 0.000 5.848 -8.746) 10.521 13.795 ( 0.000 -10.476 -2.757) 10.833 13.846 ( 0.000 -10.128 -7.014) 12.319 14.879 ( 0.000 14.016 2.026) 14.161 14.915 ( 0.000 12.152 -2.333) 12.374 15.222 ( 0.000 -5.626 1.156) 5.743 15.236 ( 0.000 -10.292 -0.210) 10.294 15.595 ( 0.000 -2.900 1.823) 3.425 15.656 ( 0.000 -8.078 -3.565) 8.829 15.999 ( 0.000 -3.075 -0.897) 3.203 16.036 ( 0.000 -6.473 -4.447) 7.854 17.065 ( 0.000 6.799 6.928) 9.707 17.140 ( 0.000 4.259 -0.399) 4.278 17.221 ( 0.000 -7.877 4.528) 9.085 17.255 ( 0.000 -6.336 1.120) 6.434 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.25 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 1.121 2.043 4.449) 5.022 1.913 ( 0.007 -1.844 3.375) 3.846 1.949 ( -1.238 1.052 -2.002) 2.579 1.970 ( -1.428 -1.295 -1.649) 2.536 2.197 ( -0.529 2.289 1.569) 2.825 2.202 ( -0.507 1.566 1.201) 2.038 2.228 ( -0.723 2.287 1.232) 2.697 2.241 ( -1.685 1.063 0.109) 1.995 2.452 ( 1.376 6.088 7.385) 9.669 2.549 ( 2.228 -1.466 -0.622) 2.739 2.617 ( 2.635 1.886 3.560) 4.814 2.641 ( 2.156 -0.321 0.670) 2.281 2.715 ( -6.227 3.026 4.891) 8.477 2.805 ( -6.784 -1.251 -2.256) 7.258 2.814 ( -0.097 -4.469 1.926) 4.867 2.871 ( -1.752 -5.737 -1.859) 6.280 3.134 ( 3.628 1.666 1.828) 4.391 3.183 ( 2.363 -1.048 2.852) 3.849 3.234 ( 2.113 0.431 -5.855) 6.240 3.288 ( 0.182 -3.871 -5.662) 6.862 3.459 ( 4.215 -0.749 -1.237) 4.456 3.467 ( 2.886 -0.347 -2.159) 3.621 3.556 ( 0.370 -2.020 0.230) 2.066 3.588 ( -0.607 -3.789 -2.380) 4.516 3.889 ( 0.185 2.100 5.765) 6.138 3.931 ( -0.120 -2.233 4.022) 4.602 4.035 ( -5.361 2.948 -4.361) 7.513 4.060 ( -5.108 0.464 -4.715) 6.966 4.529 ( -0.246 12.261 4.154) 12.947 4.574 ( 0.062 13.498 -0.723) 13.518 4.615 ( 2.057 8.159 5.362) 9.977 4.698 ( 1.609 2.215 -1.910) 3.338 4.737 ( -0.267 6.164 0.955) 6.244 4.755 ( 0.954 1.366 -1.339) 2.137 4.771 ( 1.276 -0.647 0.638) 1.567 4.827 ( 1.091 4.570 -3.136) 5.649 5.003 ( 1.692 0.544 4.556) 4.890 5.043 ( 3.220 1.861 0.587) 3.765 5.188 ( -1.870 -6.587 1.543) 7.019 5.215 ( -1.341 -10.825 -1.054) 10.958 5.352 ( 2.834 0.782 0.368) 2.963 5.375 ( 3.552 -3.903 -1.826) 5.584 5.622 ( -6.245 1.342 0.219) 6.391 5.647 ( -5.682 -1.167 -1.970) 6.126 6.195 ( 3.228 9.875 3.892) 11.094 6.238 ( 2.209 7.759 -0.156) 8.068 6.288 ( 0.275 9.220 2.053) 9.450 6.303 ( 1.002 7.680 -0.348) 7.753 6.580 ( 0.980 5.169 8.824) 10.273 6.703 ( 0.434 -2.848 3.531) 4.557 6.722 ( -0.360 -1.279 5.305) 5.469 6.796 ( -0.605 -3.362 -0.150) 3.419 6.844 ( 0.098 0.485 -10.540) 10.552 6.887 ( 0.649 -2.581 -9.556) 9.920 6.933 ( -3.409 -3.485 -4.977) 6.967 6.974 ( -2.926 -5.478 -6.347) 8.880 7.988 ( -0.674 6.381 2.343) 6.831 8.054 ( -4.107 1.078 -0.513) 4.277 8.093 ( -3.981 5.455 -1.232) 6.864 8.173 ( -6.919 -0.917 -5.708) 9.016 8.495 ( 11.779 -0.472 3.386) 12.265 8.504 ( 9.507 -0.901 1.352) 9.645 8.661 ( 4.057 7.545 -0.266) 8.571 8.702 ( 3.964 5.721 -3.549) 7.813 8.813 ( 8.126 4.539 4.302) 10.254 8.909 ( 10.762 -2.838 -4.676) 12.072 9.217 ( -4.078 2.439 3.044) 5.643 9.238 ( -3.242 0.941 0.766) 3.461 9.861 ( 3.558 3.352 8.003) 9.378 9.927 ( 2.156 -3.145 3.727) 5.332 10.074 ( -1.720 4.142 -1.464) 4.718 10.105 ( 0.718 1.117 -3.018) 3.297 10.462 ( -4.597 9.262 5.557) 11.739 10.499 ( -1.698 4.377 7.802) 9.105 10.618 ( -3.360 10.654 -3.217) 11.625 10.702 ( -3.753 -0.206 -0.361) 3.776 10.903 ( -1.109 9.820 -0.770) 9.913 10.942 ( 1.269 8.280 -1.239) 8.468 11.037 ( -4.348 9.459 -1.621) 10.536 11.105 ( -1.979 1.697 -6.871) 7.349 11.443 ( 8.119 0.685 -0.832) 8.190 11.480 ( 7.405 -1.644 -4.638) 8.891 11.885 ( -7.909 11.310 3.940) 14.353 11.955 ( -6.850 10.826 -2.787) 13.111 12.024 ( -1.918 -0.253 1.616) 2.521 12.067 ( -2.030 0.713 -1.978) 2.923 12.152 ( -2.181 1.412 2.612) 3.684 12.198 ( -1.670 2.118 -1.345) 3.014 12.424 ( -0.506 -13.857 2.456) 14.082 12.474 ( 0.006 -13.868 -2.217) 14.044 12.520 ( -5.799 -5.619 2.932) 8.590 12.561 ( -4.147 -8.510 -0.882) 9.508 13.546 ( 3.182 11.952 -1.046) 12.413 13.620 ( 0.439 9.539 -8.004) 12.460 13.810 ( 1.433 -11.911 -2.429) 12.241 13.849 ( 0.075 -10.702 -6.173) 12.355 14.926 ( 3.801 15.101 2.214) 15.728 14.961 ( 3.179 14.056 -1.723) 14.513 15.228 ( 0.708 -8.378 1.149) 8.486 15.245 ( 0.553 -9.933 -0.530) 9.963 15.636 ( 4.070 -1.519 1.399) 4.564 15.692 ( 3.455 -5.785 -3.695) 7.685 15.946 ( -4.730 -5.311 -0.798) 7.157 15.985 ( -4.683 -8.310 -4.588) 10.584 17.080 ( 1.352 6.502 5.861) 8.858 17.133 ( -0.702 4.870 0.613) 4.958 17.226 ( 0.516 -7.864 4.188) 8.925 17.251 ( -0.428 -6.600 1.699) 6.829 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -2.036 0.794 0.715) 2.299 1.912 ( 2.036 0.794 0.715) 2.299 1.933 ( -1.799 -1.443 0.380) 2.337 1.933 ( 1.799 -1.443 0.380) 2.337 2.200 ( -0.413 2.460 1.395) 2.858 2.200 ( 0.413 2.460 1.395) 2.858 2.211 ( -0.376 2.069 1.457) 2.558 2.211 ( 0.376 2.069 1.457) 2.558 2.526 ( -5.015 8.048 5.412) 10.918 2.526 ( 5.015 8.048 5.412) 10.918 2.648 ( -2.149 -3.048 1.229) 3.927 2.648 ( 2.149 -3.048 1.229) 3.927 2.698 ( -3.274 2.301 -1.769) 4.375 2.698 ( 3.274 2.301 -1.769) 4.375 2.823 ( -2.054 -10.593 0.972) 10.834 2.823 ( 2.054 -10.593 0.972) 10.834 3.202 ( -1.970 3.751 1.448) 4.477 3.202 ( 1.970 3.751 1.448) 4.477 3.270 ( -2.091 -2.438 -3.750) 4.937 3.270 ( 2.091 -2.438 -3.750) 4.937 3.505 ( -0.268 1.170 -0.398) 1.265 3.505 ( 0.268 1.170 -0.398) 1.265 3.573 ( -1.025 -5.478 -2.379) 6.060 3.573 ( 1.025 -5.478 -2.379) 6.060 3.928 ( -3.950 1.615 1.514) 4.529 3.928 ( 3.950 1.615 1.514) 4.529 3.963 ( -3.460 -1.961 -0.452) 4.003 3.963 ( 3.460 -1.961 -0.452) 4.003 4.555 ( -1.870 19.411 3.300) 19.779 4.555 ( 1.870 19.411 3.300) 19.779 4.667 ( -2.434 6.914 -1.634) 7.510 4.667 ( 2.434 6.914 -1.634) 7.510 4.757 ( -0.777 1.199 -0.503) 1.515 4.757 ( 0.777 1.199 -0.503) 1.515 4.809 ( -2.155 -2.379 0.724) 3.290 4.809 ( 2.155 -2.379 0.724) 3.290 5.062 ( -2.551 0.499 2.570) 3.655 5.062 ( 2.551 0.499 2.570) 3.655 5.179 ( -1.670 -6.487 0.208) 6.701 5.179 ( 1.670 -6.487 0.208) 6.701 5.433 ( -2.696 1.937 -0.695) 3.391 5.433 ( 2.696 1.937 -0.695) 3.391 5.530 ( -2.688 -4.316 -2.090) 5.497 5.530 ( 2.688 -4.316 -2.090) 5.497 6.255 ( -1.826 11.245 2.601) 11.685 6.255 ( 1.826 11.245 2.601) 11.685 6.299 ( -1.293 6.057 1.780) 6.445 6.299 ( 1.293 6.057 1.780) 6.445 6.634 ( -4.200 4.967 6.250) 9.021 6.634 ( 4.200 4.967 6.250) 9.021 6.774 ( -2.393 -7.251 3.338) 8.333 6.774 ( 2.393 -7.251 3.338) 8.333 6.857 ( -1.884 1.091 -10.121) 10.352 6.857 ( 1.884 1.091 -10.121) 10.352 6.921 ( -1.867 -5.414 -8.272) 10.061 6.921 ( 1.867 -5.414 -8.272) 10.061 8.009 ( -1.452 5.011 -0.253) 5.223 8.009 ( 1.452 5.011 -0.253) 5.223 8.057 ( -2.767 0.357 -1.649) 3.241 8.057 ( 2.767 0.357 -1.649) 3.241 8.662 ( -0.786 5.227 4.753) 7.108 8.662 ( 0.786 5.227 4.753) 7.108 8.699 ( -3.173 0.610 1.533) 3.576 8.699 ( 3.173 0.610 1.533) 3.576 8.995 ( -6.860 9.890 -1.017) 12.079 8.995 ( 6.860 9.890 -1.017) 12.079 9.165 ( -2.873 -6.218 0.101) 6.851 9.165 ( 2.873 -6.218 0.101) 6.851 9.982 ( -6.899 3.253 -3.055) 8.217 9.982 ( 6.899 3.253 -3.055) 8.217 10.023 ( -7.198 -0.440 -5.292) 8.945 10.023 ( 7.198 -0.440 -5.292) 8.945 10.467 ( -3.550 9.488 9.735) 14.050 10.467 ( 3.550 9.488 9.735) 14.050 10.589 ( -4.351 -2.495 6.769) 8.425 10.589 ( 4.351 -2.495 6.769) 8.425 10.915 ( -3.160 15.658 -3.486) 16.349 10.915 ( 3.160 15.658 -3.486) 16.349 11.050 ( -3.604 4.201 -6.215) 8.322 11.050 ( 3.604 4.201 -6.215) 8.322 11.628 ( -4.099 5.569 0.060) 6.915 11.628 ( 4.099 5.569 0.060) 6.915 11.719 ( -5.676 -0.510 0.806) 5.756 11.719 ( 5.676 -0.510 0.806) 5.756 12.044 ( -1.445 7.527 1.096) 7.743 12.044 ( 1.445 7.527 1.096) 7.743 12.155 ( -2.125 -2.168 -1.947) 3.606 12.155 ( 2.125 -2.168 -1.947) 3.606 12.434 ( -2.344 -8.389 3.354) 9.334 12.434 ( 2.344 -8.389 3.354) 9.334 12.499 ( -2.169 -12.080 -2.765) 12.581 12.499 ( 2.169 -12.080 -2.765) 12.581 13.602 ( -2.098 12.175 -4.485) 13.143 13.602 ( 2.098 12.175 -4.485) 13.143 13.839 ( -1.154 -11.760 -4.064) 12.496 13.839 ( 1.154 -11.760 -4.064) 12.496 14.986 ( -1.242 16.105 0.894) 16.178 14.986 ( 1.242 16.105 0.894) 16.178 15.246 ( -0.647 -10.475 -0.075) 10.495 15.246 ( 0.647 -10.475 -0.075) 10.495 15.730 ( -2.935 2.535 -0.741) 3.949 15.730 ( 2.935 2.535 -0.741) 3.949 15.889 ( -2.486 -13.081 -3.418) 13.747 15.889 ( 2.486 -13.081 -3.418) 13.747 17.111 ( -1.475 5.796 3.251) 6.807 17.111 ( 1.475 5.796 3.251) 6.807 17.239 ( -0.685 -7.312 3.023) 7.942 17.239 ( 0.685 -7.312 3.023) 7.942 =================== 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 3/27216 10.0 595.249 906.301 733.343 0.000 0.000 0.000 3/27216 20.0 136.074 169.857 153.984 0.000 0.000 0.000 3/27216 30.0 53.517 73.057 62.719 0.000 0.000 -0.000 3/27216 40.0 29.407 41.615 35.019 0.000 0.000 -0.000 3/27216 50.0 19.389 27.977 23.180 0.000 0.000 -0.000 3/27216 60.0 14.193 20.749 16.964 0.000 0.000 -0.000 3/27216 70.0 11.085 16.375 13.229 0.000 0.000 -0.000 3/27216 80.0 9.040 13.476 10.769 0.000 0.000 -0.000 3/27216 90.0 7.603 11.429 9.042 0.000 0.000 -0.000 3/27216 100.0 6.544 9.913 7.769 0.000 0.000 0.000 3/27216 110.0 5.735 8.749 6.797 0.000 0.000 0.000 3/27216 120.0 5.099 7.829 6.034 0.000 0.000 0.000 3/27216 130.0 4.588 7.085 5.421 0.000 0.000 0.000 3/27216 140.0 4.169 6.472 4.919 0.000 0.000 0.000 3/27216 150.0 3.820 5.959 4.502 0.000 0.000 0.000 3/27216 160.0 3.524 5.522 4.149 0.000 0.000 0.000 3/27216 170.0 3.272 5.147 3.848 0.000 0.000 0.000 3/27216 180.0 3.053 4.820 3.588 0.000 0.000 0.000 3/27216 190.0 2.863 4.534 3.362 0.000 0.000 0.000 3/27216 200.0 2.695 4.281 3.162 0.000 0.000 0.000 3/27216 210.0 2.546 4.056 2.986 0.000 0.000 0.000 3/27216 220.0 2.413 3.853 2.829 0.000 0.000 0.000 3/27216 230.0 2.294 3.671 2.688 0.000 0.000 0.000 3/27216 240.0 2.186 3.505 2.560 0.000 0.000 0.000 3/27216 250.0 2.088 3.355 2.445 0.000 0.000 0.000 3/27216 260.0 1.999 3.217 2.339 0.000 0.000 0.000 3/27216 270.0 1.917 3.090 2.243 0.000 0.000 0.000 3/27216 280.0 1.842 2.973 2.155 0.000 0.000 0.000 3/27216 290.0 1.773 2.865 2.073 0.000 0.000 0.000 3/27216 300.0 1.708 2.765 1.998 0.000 0.000 0.000 3/27216 310.0 1.649 2.671 1.928 0.000 0.000 0.000 3/27216 320.0 1.593 2.584 1.862 0.000 0.000 0.000 3/27216 330.0 1.542 2.502 1.802 0.000 0.000 0.000 3/27216 340.0 1.493 2.426 1.745 0.000 0.000 0.000 3/27216 350.0 1.448 2.354 1.692 0.000 0.000 0.000 3/27216 360.0 1.405 2.286 1.642 0.000 0.000 0.000 3/27216 370.0 1.365 2.223 1.594 0.000 0.000 0.000 3/27216 380.0 1.327 2.162 1.550 0.000 0.000 0.000 3/27216 390.0 1.291 2.105 1.508 0.000 0.000 0.000 3/27216 400.0 1.257 2.051 1.468 0.000 0.000 0.000 3/27216 410.0 1.225 2.000 1.431 0.000 0.000 0.000 3/27216 420.0 1.195 1.951 1.395 0.000 0.000 0.000 3/27216 430.0 1.166 1.905 1.361 0.000 0.000 0.000 3/27216 440.0 1.138 1.861 1.329 0.000 0.000 0.000 3/27216 450.0 1.112 1.818 1.298 0.000 0.000 0.000 3/27216 460.0 1.087 1.778 1.269 0.000 0.000 0.000 3/27216 470.0 1.063 1.740 1.241 0.000 0.000 0.000 3/27216 480.0 1.040 1.703 1.214 0.000 0.000 0.000 3/27216 490.0 1.018 1.667 1.188 0.000 0.000 0.000 3/27216 500.0 0.997 1.633 1.164 0.000 0.000 0.000 3/27216 510.0 0.977 1.601 1.140 0.000 0.000 0.000 3/27216 520.0 0.957 1.570 1.118 0.000 0.000 0.000 3/27216 530.0 0.939 1.540 1.096 0.000 0.000 0.000 3/27216 540.0 0.921 1.511 1.075 0.000 0.000 0.000 3/27216 550.0 0.904 1.483 1.055 0.000 0.000 0.000 3/27216 560.0 0.887 1.456 1.036 0.000 0.000 0.000 3/27216 570.0 0.871 1.430 1.017 0.000 0.000 0.000 3/27216 580.0 0.856 1.405 0.999 0.000 0.000 0.000 3/27216 590.0 0.841 1.381 0.982 0.000 0.000 0.000 3/27216 600.0 0.827 1.358 0.965 0.000 0.000 0.000 3/27216 610.0 0.813 1.336 0.949 0.000 0.000 0.000 3/27216 620.0 0.800 1.314 0.933 0.000 0.000 0.000 3/27216 630.0 0.787 1.293 0.918 0.000 0.000 0.000 3/27216 640.0 0.774 1.272 0.903 0.000 0.000 0.000 3/27216 650.0 0.762 1.253 0.889 0.000 0.000 0.000 3/27216 660.0 0.750 1.233 0.876 0.000 0.000 0.000 3/27216 670.0 0.739 1.215 0.862 0.000 0.000 0.000 3/27216 680.0 0.728 1.197 0.849 0.000 0.000 0.000 3/27216 690.0 0.717 1.179 0.837 0.000 0.000 0.000 3/27216 700.0 0.707 1.162 0.825 0.000 0.000 0.000 3/27216 710.0 0.697 1.146 0.813 0.000 0.000 0.000 3/27216 720.0 0.687 1.130 0.801 0.000 0.000 0.000 3/27216 730.0 0.677 1.114 0.790 0.000 0.000 0.000 3/27216 740.0 0.668 1.099 0.779 0.000 0.000 0.000 3/27216 750.0 0.659 1.084 0.769 0.000 0.000 0.000 3/27216 760.0 0.650 1.070 0.759 0.000 0.000 0.000 3/27216 770.0 0.642 1.056 0.749 0.000 0.000 0.000 3/27216 780.0 0.633 1.043 0.739 0.000 0.000 0.000 3/27216 790.0 0.625 1.029 0.730 0.000 0.000 0.000 3/27216 800.0 0.617 1.016 0.720 0.000 0.000 0.000 3/27216 810.0 0.610 1.004 0.711 0.000 0.000 0.000 3/27216 820.0 0.602 0.991 0.703 0.000 0.000 0.000 3/27216 830.0 0.595 0.979 0.694 0.000 0.000 0.000 3/27216 840.0 0.588 0.968 0.686 0.000 0.000 0.000 3/27216 850.0 0.581 0.956 0.677 0.000 0.000 0.000 3/27216 860.0 0.574 0.945 0.669 0.000 0.000 0.000 3/27216 870.0 0.567 0.934 0.662 0.000 0.000 0.000 3/27216 880.0 0.561 0.924 0.654 0.000 0.000 0.000 3/27216 890.0 0.554 0.913 0.647 0.000 0.000 0.000 3/27216 900.0 0.548 0.903 0.639 0.000 0.000 0.000 3/27216 910.0 0.542 0.893 0.632 0.000 0.000 0.000 3/27216 920.0 0.536 0.883 0.625 0.000 0.000 0.000 3/27216 930.0 0.530 0.874 0.619 0.000 0.000 0.000 3/27216 940.0 0.525 0.864 0.612 0.000 0.000 0.000 3/27216 950.0 0.519 0.855 0.605 0.000 0.000 0.000 3/27216 960.0 0.513 0.846 0.599 0.000 0.000 0.000 3/27216 970.0 0.508 0.838 0.593 0.000 0.000 0.000 3/27216 980.0 0.503 0.829 0.587 0.000 0.000 0.000 3/27216 990.0 0.498 0.821 0.581 0.000 0.000 0.000 3/27216 1000.0 0.493 0.812 0.575 0.000 0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m497.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:58:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|