----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:24:19]------------------------- Compiled with OpenMP support (max 32 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.378409385091980 -4.264106520000000 0.000000000000000 b 5.378409385091980 4.264106520000000 0.000000000000000 c -2.202101973084408 0.000000000000000 4.708472668817079 Atomic positions (fractional): *1 O 0.11856307956174 0.60194401979167 0.46832580584126 15.999 2 O 0.39805598020833 0.88143692043826 0.03167419415874 15.999 3 O 0.88143692043826 0.39805598020833 0.53167419415874 15.999 4 O 0.60194401979167 0.11856307956174 0.96832580584126 15.999 *5 O 0.73092076747238 0.54776082780701 0.02805675408111 15.999 6 O 0.45223917219299 0.26907923252762 0.47194324591889 15.999 *7 O 0.17536556714329 0.09514174604454 0.65728730974105 15.999 8 O 0.90485825395546 0.82463443285671 0.84271269025895 15.999 9 O 0.82463443285671 0.90485825395546 0.34271269025895 15.999 10 O 0.09514174604454 0.17536556714329 0.15728730974106 15.999 11 O 0.54776082780701 0.73092076747238 0.52805675408111 15.999 12 O 0.26907923252762 0.45223917219299 0.97194324591889 15.999 *13 Ti 0.81190738816643 0.64822317129110 0.43535388371824 47.867 14 Ti 0.35177682870890 0.18809261183357 0.06464611628176 47.867 15 Ti 0.18809261183356 0.35177682870891 0.56464611628176 47.867 16 Ti 0.64822317129109 0.81190738816644 0.93535388371824 47.867 *17 Th 0.18679162168531 0.81320837831469 0.25000000000000 232.038 18 Th 0.81320837831469 0.18679162168531 0.75000000000000 232.038 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.756818770183960 0.000000000000000 0.000000000000000 b 0.000000000000000 8.528213040000001 0.000000000000000 c -2.202101973084408 0.000000000000000 4.708472668817079 Atomic positions (fractional): *1 O 0.86025354967670 0.74169047011497 0.46832580584126 15.999 > 1 2 O 0.13974645032330 0.74169047011497 0.03167419415874 15.999 > 2 3 O 0.13974645032330 0.25830952988503 0.53167419415874 15.999 > 3 4 O 0.86025354967670 0.25830952988503 0.96832580584126 15.999 > 4 *5 O 0.13934079763969 0.40842003016732 0.02805675408111 15.999 > 5 6 O 0.86065920236031 0.40842003016732 0.47194324591889 15.999 > 6 *7 O 0.63525365659392 0.45988808945062 0.65728730974105 15.999 > 7 8 O 0.36474634340608 0.45988808945062 0.84271269025895 15.999 > 8 9 O 0.36474634340608 0.54011191054938 0.34271269025895 15.999 > 9 10 O 0.63525365659392 0.54011191054938 0.15728730974106 15.999 > 10 11 O 0.13934079763969 0.59157996983268 0.52805675408111 15.999 > 11 12 O 0.86065920236031 0.59157996983268 0.97194324591889 15.999 > 12 13 O 0.36025354967670 0.24169047011497 0.46832580584126 15.999 > 1 14 O 0.63974645032330 0.24169047011497 0.03167419415874 15.999 > 2 15 O 0.63974645032330 0.75830952988503 0.53167419415874 15.999 > 3 16 O 0.36025354967670 0.75830952988503 0.96832580584126 15.999 > 4 17 O 0.63934079763969 0.90842003016732 0.02805675408111 15.999 > 5 18 O 0.36065920236031 0.90842003016732 0.47194324591889 15.999 > 6 19 O 0.13525365659392 0.95988808945062 0.65728730974105 15.999 > 7 20 O 0.86474634340608 0.95988808945062 0.84271269025895 15.999 > 8 21 O 0.86474634340608 0.04011191054938 0.34271269025895 15.999 > 9 22 O 0.13525365659392 0.04011191054938 0.15728730974106 15.999 > 10 23 O 0.63934079763969 0.09157996983268 0.52805675408111 15.999 > 11 24 O 0.36065920236031 0.09157996983268 0.97194324591889 15.999 > 12 *25 Ti 0.23006527972877 0.41815789156233 0.43535388371824 47.867 > 13 26 Ti 0.76993472027123 0.41815789156233 0.06464611628176 47.867 > 14 27 Ti 0.76993472027123 0.58184210843767 0.56464611628176 47.867 > 15 28 Ti 0.23006527972877 0.58184210843767 0.93535388371824 47.867 > 16 29 Ti 0.73006527972877 0.91815789156233 0.43535388371824 47.867 > 13 30 Ti 0.26993472027123 0.91815789156233 0.06464611628176 47.867 > 14 31 Ti 0.26993472027123 0.08184210843767 0.56464611628176 47.867 > 15 32 Ti 0.73006527972877 0.08184210843767 0.93535388371824 47.867 > 16 *33 Th 0.00000000000000 0.81320837831469 0.25000000000000 232.038 > 17 34 Th 0.00000000000000 0.18679162168531 0.75000000000000 232.038 > 18 35 Th 0.50000000000000 0.31320837831469 0.25000000000000 232.038 > 17 36 Th 0.50000000000000 0.68679162168531 0.75000000000000 232.038 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.756818770183960 0.000000000000000 0.000000000000000 b 0.000000000000000 17.056426080000001 0.000000000000000 c -4.404203946168816 0.000000000000000 9.416945337634157 Atomic positions (fractional): *1 O 0.86025354967670 0.37084523505748 0.23416290292063 15.999 > 1 2 O 0.86025354967670 0.87084523505748 0.23416290292063 15.999 > 1 3 O 0.86025354967670 0.37084523505748 0.73416290292063 15.999 > 1 4 O 0.86025354967670 0.87084523505748 0.73416290292063 15.999 > 1 5 O 0.13974645032330 0.37084523505748 0.01583709707937 15.999 > 2 6 O 0.13974645032330 0.87084523505748 0.01583709707937 15.999 > 2 7 O 0.13974645032330 0.37084523505748 0.51583709707937 15.999 > 2 8 O 0.13974645032330 0.87084523505748 0.51583709707937 15.999 > 2 9 O 0.13974645032330 0.12915476494252 0.26583709707937 15.999 > 3 10 O 0.13974645032330 0.62915476494252 0.26583709707937 15.999 > 3 11 O 0.13974645032330 0.12915476494252 0.76583709707937 15.999 > 3 12 O 0.13974645032330 0.62915476494252 0.76583709707937 15.999 > 3 13 O 0.86025354967670 0.12915476494252 0.48416290292063 15.999 > 4 14 O 0.86025354967670 0.62915476494252 0.48416290292063 15.999 > 4 15 O 0.86025354967670 0.12915476494252 0.98416290292063 15.999 > 4 16 O 0.86025354967670 0.62915476494252 0.98416290292063 15.999 > 4 *17 O 0.13934079763969 0.20421001508366 0.01402837704055 15.999 > 5 18 O 0.13934079763969 0.70421001508366 0.01402837704055 15.999 > 5 19 O 0.13934079763969 0.20421001508366 0.51402837704055 15.999 > 5 20 O 0.13934079763969 0.70421001508366 0.51402837704055 15.999 > 5 21 O 0.86065920236031 0.20421001508366 0.23597162295945 15.999 > 6 22 O 0.86065920236031 0.70421001508366 0.23597162295945 15.999 > 6 23 O 0.86065920236031 0.20421001508366 0.73597162295945 15.999 > 6 24 O 0.86065920236031 0.70421001508366 0.73597162295945 15.999 > 6 *25 O 0.63525365659392 0.22994404472531 0.32864365487053 15.999 > 7 26 O 0.63525365659392 0.72994404472531 0.32864365487053 15.999 > 7 27 O 0.63525365659392 0.22994404472531 0.82864365487053 15.999 > 7 28 O 0.63525365659392 0.72994404472531 0.82864365487053 15.999 > 7 29 O 0.36474634340608 0.22994404472531 0.42135634512947 15.999 > 8 30 O 0.36474634340608 0.72994404472531 0.42135634512947 15.999 > 8 31 O 0.36474634340608 0.22994404472531 0.92135634512947 15.999 > 8 32 O 0.36474634340608 0.72994404472531 0.92135634512947 15.999 > 8 33 O 0.36474634340608 0.27005595527469 0.17135634512947 15.999 > 9 34 O 0.36474634340608 0.77005595527469 0.17135634512947 15.999 > 9 35 O 0.36474634340608 0.27005595527469 0.67135634512947 15.999 > 9 36 O 0.36474634340608 0.77005595527469 0.67135634512947 15.999 > 9 37 O 0.63525365659392 0.27005595527469 0.07864365487053 15.999 > 10 38 O 0.63525365659392 0.77005595527469 0.07864365487053 15.999 > 10 39 O 0.63525365659392 0.27005595527469 0.57864365487053 15.999 > 10 40 O 0.63525365659392 0.77005595527469 0.57864365487053 15.999 > 10 41 O 0.13934079763969 0.29578998491634 0.26402837704055 15.999 > 11 42 O 0.13934079763969 0.79578998491634 0.26402837704055 15.999 > 11 43 O 0.13934079763969 0.29578998491634 0.76402837704055 15.999 > 11 44 O 0.13934079763969 0.79578998491634 0.76402837704055 15.999 > 11 45 O 0.86065920236031 0.29578998491634 0.48597162295945 15.999 > 12 46 O 0.86065920236031 0.79578998491634 0.48597162295945 15.999 > 12 47 O 0.86065920236031 0.29578998491634 0.98597162295945 15.999 > 12 48 O 0.86065920236031 0.79578998491634 0.98597162295945 15.999 > 12 49 O 0.36025354967670 0.12084523505748 0.23416290292063 15.999 > 1 50 O 0.36025354967670 0.62084523505748 0.23416290292063 15.999 > 1 51 O 0.36025354967670 0.12084523505748 0.73416290292063 15.999 > 1 52 O 0.36025354967670 0.62084523505748 0.73416290292063 15.999 > 1 53 O 0.63974645032330 0.12084523505748 0.01583709707937 15.999 > 2 54 O 0.63974645032330 0.62084523505748 0.01583709707937 15.999 > 2 55 O 0.63974645032330 0.12084523505748 0.51583709707937 15.999 > 2 56 O 0.63974645032330 0.62084523505748 0.51583709707937 15.999 > 2 57 O 0.63974645032330 0.37915476494252 0.26583709707937 15.999 > 3 58 O 0.63974645032330 0.87915476494252 0.26583709707937 15.999 > 3 59 O 0.63974645032330 0.37915476494252 0.76583709707937 15.999 > 3 60 O 0.63974645032330 0.87915476494252 0.76583709707937 15.999 > 3 61 O 0.36025354967670 0.37915476494252 0.48416290292063 15.999 > 4 62 O 0.36025354967670 0.87915476494252 0.48416290292063 15.999 > 4 63 O 0.36025354967670 0.37915476494252 0.98416290292063 15.999 > 4 64 O 0.36025354967670 0.87915476494252 0.98416290292063 15.999 > 4 65 O 0.63934079763969 0.45421001508366 0.01402837704055 15.999 > 5 66 O 0.63934079763969 0.95421001508366 0.01402837704055 15.999 > 5 67 O 0.63934079763969 0.45421001508366 0.51402837704055 15.999 > 5 68 O 0.63934079763969 0.95421001508366 0.51402837704055 15.999 > 5 69 O 0.36065920236031 0.45421001508366 0.23597162295945 15.999 > 6 70 O 0.36065920236031 0.95421001508366 0.23597162295945 15.999 > 6 71 O 0.36065920236031 0.45421001508366 0.73597162295945 15.999 > 6 72 O 0.36065920236031 0.95421001508366 0.73597162295945 15.999 > 6 73 O 0.13525365659392 0.47994404472531 0.32864365487053 15.999 > 7 74 O 0.13525365659392 0.97994404472531 0.32864365487053 15.999 > 7 75 O 0.13525365659392 0.47994404472531 0.82864365487053 15.999 > 7 76 O 0.13525365659392 0.97994404472531 0.82864365487053 15.999 > 7 77 O 0.86474634340608 0.47994404472531 0.42135634512947 15.999 > 8 78 O 0.86474634340608 0.97994404472531 0.42135634512947 15.999 > 8 79 O 0.86474634340608 0.47994404472531 0.92135634512947 15.999 > 8 80 O 0.86474634340608 0.97994404472531 0.92135634512947 15.999 > 8 81 O 0.86474634340608 0.02005595527469 0.17135634512947 15.999 > 9 82 O 0.86474634340608 0.52005595527469 0.17135634512947 15.999 > 9 83 O 0.86474634340608 0.02005595527469 0.67135634512947 15.999 > 9 84 O 0.86474634340608 0.52005595527469 0.67135634512947 15.999 > 9 85 O 0.13525365659392 0.02005595527469 0.07864365487053 15.999 > 10 86 O 0.13525365659392 0.52005595527469 0.07864365487053 15.999 > 10 87 O 0.13525365659392 0.02005595527469 0.57864365487053 15.999 > 10 88 O 0.13525365659392 0.52005595527469 0.57864365487053 15.999 > 10 89 O 0.63934079763969 0.04578998491634 0.26402837704055 15.999 > 11 90 O 0.63934079763969 0.54578998491634 0.26402837704055 15.999 > 11 91 O 0.63934079763969 0.04578998491634 0.76402837704055 15.999 > 11 92 O 0.63934079763969 0.54578998491634 0.76402837704055 15.999 > 11 93 O 0.36065920236031 0.04578998491634 0.48597162295945 15.999 > 12 94 O 0.36065920236031 0.54578998491634 0.48597162295945 15.999 > 12 95 O 0.36065920236031 0.04578998491634 0.98597162295945 15.999 > 12 96 O 0.36065920236031 0.54578998491634 0.98597162295945 15.999 > 12 *97 Ti 0.23006527972877 0.20907894578117 0.21767694185912 47.867 > 13 98 Ti 0.23006527972877 0.70907894578117 0.21767694185912 47.867 > 13 99 Ti 0.23006527972877 0.20907894578117 0.71767694185912 47.867 > 13 100 Ti 0.23006527972877 0.70907894578117 0.71767694185912 47.867 > 13 101 Ti 0.76993472027123 0.20907894578117 0.03232305814088 47.867 > 14 102 Ti 0.76993472027123 0.70907894578117 0.03232305814088 47.867 > 14 103 Ti 0.76993472027123 0.20907894578117 0.53232305814088 47.867 > 14 104 Ti 0.76993472027123 0.70907894578117 0.53232305814088 47.867 > 14 105 Ti 0.76993472027123 0.29092105421884 0.28232305814088 47.867 > 15 106 Ti 0.76993472027123 0.79092105421883 0.28232305814088 47.867 > 15 107 Ti 0.76993472027123 0.29092105421884 0.78232305814088 47.867 > 15 108 Ti 0.76993472027123 0.79092105421883 0.78232305814088 47.867 > 15 109 Ti 0.23006527972877 0.29092105421884 0.46767694185912 47.867 > 16 110 Ti 0.23006527972877 0.79092105421883 0.46767694185912 47.867 > 16 111 Ti 0.23006527972877 0.29092105421884 0.96767694185912 47.867 > 16 112 Ti 0.23006527972877 0.79092105421883 0.96767694185912 47.867 > 16 113 Ti 0.73006527972877 0.45907894578116 0.21767694185912 47.867 > 13 114 Ti 0.73006527972877 0.95907894578117 0.21767694185912 47.867 > 13 115 Ti 0.73006527972877 0.45907894578116 0.71767694185912 47.867 > 13 116 Ti 0.73006527972877 0.95907894578117 0.71767694185912 47.867 > 13 117 Ti 0.26993472027123 0.45907894578116 0.03232305814088 47.867 > 14 118 Ti 0.26993472027123 0.95907894578117 0.03232305814088 47.867 > 14 119 Ti 0.26993472027123 0.45907894578116 0.53232305814088 47.867 > 14 120 Ti 0.26993472027123 0.95907894578117 0.53232305814088 47.867 > 14 121 Ti 0.26993472027123 0.04092105421883 0.28232305814088 47.867 > 15 122 Ti 0.26993472027123 0.54092105421883 0.28232305814088 47.867 > 15 123 Ti 0.26993472027123 0.04092105421883 0.78232305814088 47.867 > 15 124 Ti 0.26993472027123 0.54092105421883 0.78232305814088 47.867 > 15 125 Ti 0.73006527972877 0.04092105421883 0.46767694185912 47.867 > 16 126 Ti 0.73006527972877 0.54092105421883 0.46767694185912 47.867 > 16 127 Ti 0.73006527972877 0.04092105421883 0.96767694185912 47.867 > 16 128 Ti 0.73006527972877 0.54092105421883 0.96767694185912 47.867 > 16 *129 Th 0.00000000000000 0.40660418915734 0.12500000000000 232.038 > 17 130 Th 0.00000000000000 0.90660418915734 0.12500000000000 232.038 > 17 131 Th 0.00000000000000 0.40660418915734 0.62500000000000 232.038 > 17 132 Th 0.00000000000000 0.90660418915734 0.62500000000000 232.038 > 17 133 Th 0.00000000000000 0.09339581084265 0.37500000000000 232.038 > 18 134 Th 0.00000000000000 0.59339581084266 0.37500000000000 232.038 > 18 135 Th 0.00000000000000 0.09339581084265 0.87500000000000 232.038 > 18 136 Th 0.00000000000000 0.59339581084266 0.87500000000000 232.038 > 18 137 Th 0.50000000000000 0.15660418915735 0.12500000000000 232.038 > 17 138 Th 0.50000000000000 0.65660418915734 0.12500000000000 232.038 > 17 139 Th 0.50000000000000 0.15660418915735 0.62500000000000 232.038 > 17 140 Th 0.50000000000000 0.65660418915734 0.62500000000000 232.038 > 17 141 Th 0.50000000000000 0.34339581084266 0.37500000000000 232.038 > 18 142 Th 0.50000000000000 0.84339581084266 0.37500000000000 232.038 > 18 143 Th 0.50000000000000 0.34339581084266 0.87500000000000 232.038 > 18 144 Th 0.50000000000000 0.84339581084266 0.87500000000000 232.038 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4790074 0.0000000 -0.5718219 0.0000000 6.0959176 0.0000000 -0.5718195 0.0000000 5.9283549 -------------------------- Born effective charges -------------------------- 1 O -3.4744450 -0.7723688 0.9842178 -0.6264903 -3.5187678 0.7027381 0.9840701 0.3450929 -1.4515156 2 O -3.4744450 0.7723688 0.9842178 0.6264903 -3.5187678 -0.7027381 0.9840701 -0.3450929 -1.4515156 3 O -3.4744450 -0.7723688 0.9842178 -0.6264903 -3.5187678 0.7027381 0.9840701 0.3450929 -1.4515156 4 O -3.4744450 0.7723688 0.9842178 0.6264903 -3.5187678 -0.7027381 0.9840701 -0.3450929 -1.4515156 5 O -1.8275100 -1.1807312 0.2449293 -1.1685492 -2.9047612 0.1547330 0.1452515 -0.1239293 -3.6545378 6 O -1.8275100 1.1807312 0.2449293 1.1685492 -2.9047612 -0.1547330 0.1452515 0.1239293 -3.6545378 7 O -2.4510732 -0.4616942 -0.1245270 -0.4725845 -2.4863872 -0.1820533 -0.0643367 -0.1655867 -3.4512215 8 O -2.4510732 0.4616942 -0.1245270 0.4725845 -2.4863872 0.1820533 -0.0643367 0.1655867 -3.4512215 9 O -2.4510732 -0.4616942 -0.1245270 -0.4725845 -2.4863872 -0.1820533 -0.0643367 -0.1655867 -3.4512215 10 O -2.4510732 0.4616942 -0.1245270 0.4725845 -2.4863872 0.1820533 -0.0643367 0.1655867 -3.4512215 11 O -1.8275100 1.1807312 0.2449293 1.1685492 -2.9047612 -0.1547330 0.1452515 0.1239293 -3.6545378 12 O -1.8275100 -1.1807312 0.2449293 -1.1685492 -2.9047612 0.1547330 0.1452515 -0.1239293 -3.6545378 13 Ti 4.1900057 0.2692718 -1.0706653 0.1344677 5.8934444 -0.2530999 -0.9988949 0.4561835 5.5941331 14 Ti 4.1900057 -0.2692718 -1.0706653 -0.1344677 5.8934444 0.2530999 -0.9988949 -0.4561835 5.5941331 15 Ti 4.1900057 0.2692718 -1.0706653 0.1344677 5.8934444 -0.2530999 -0.9988949 0.4561835 5.5941331 16 Ti 4.1900057 -0.2692718 -1.0706653 -0.1344677 5.8934444 0.2530999 -0.9988949 -0.4561835 5.5941331 17 Th 7.1260450 0.0000000 -0.0679095 0.0000000 6.0329436 0.0000000 -0.1321800 0.0000000 5.9262834 18 Th 7.1260450 0.0000000 -0.0679095 0.0000000 6.0329436 0.0000000 -0.1321800 0.0000000 5.9262834 ---------------------------------------------------------------------------- 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: 14832/14832 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2986), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 560 - Time: 1.003 Solver_block: 200 / 560 - Time: 0.926 Solver_block: 300 / 560 - Time: 0.928 Solver_block: 400 / 560 - Time: 0.926 Solver_block: 500 / 560 - Time: 0.927 Solver_block: 560 / 560 - Time: 0.607 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.437 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 14832/14832 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3026 Number of blocks in projector: 3026 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 147 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 138 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3026, 2986), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 6), data: (644, 14) @ (14, 6) |-- (144, 138), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (652, 643), data: False |-- (652, 5), data: (652, 14) @ (14, 5) |-- (152, 147), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), 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 20:24:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:24:59]------------------------- Compiled with OpenMP support (max 32 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.378409385091980 -4.264106520000000 0.000000000000000 b 5.378409385091980 4.264106520000000 0.000000000000000 c -2.202101973084408 0.000000000000000 4.708472668817079 Atomic positions (fractional): 1 O 0.11856307956174 0.60194401979167 0.46832580584126 15.999 2 O 0.39805598020833 0.88143692043826 0.03167419415874 15.999 3 O 0.88143692043826 0.39805598020833 0.53167419415874 15.999 4 O 0.60194401979167 0.11856307956174 0.96832580584126 15.999 5 O 0.73092076747238 0.54776082780701 0.02805675408111 15.999 6 O 0.45223917219299 0.26907923252762 0.47194324591889 15.999 7 O 0.17536556714329 0.09514174604454 0.65728730974105 15.999 8 O 0.90485825395546 0.82463443285671 0.84271269025895 15.999 9 O 0.82463443285671 0.90485825395546 0.34271269025895 15.999 10 O 0.09514174604454 0.17536556714329 0.15728730974106 15.999 11 O 0.54776082780701 0.73092076747238 0.52805675408111 15.999 12 O 0.26907923252762 0.45223917219299 0.97194324591889 15.999 13 Ti 0.81190738816643 0.64822317129110 0.43535388371824 47.867 14 Ti 0.35177682870890 0.18809261183357 0.06464611628176 47.867 15 Ti 0.18809261183356 0.35177682870891 0.56464611628176 47.867 16 Ti 0.64822317129109 0.81190738816644 0.93535388371824 47.867 17 Th 0.18679162168531 0.81320837831469 0.25000000000000 232.038 18 Th 0.81320837831469 0.18679162168531 0.75000000000000 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.756818770183960 0.000000000000000 0.000000000000000 b 0.000000000000000 17.056426080000001 0.000000000000000 c -4.404203946168816 0.000000000000000 9.416945337634157 Atomic positions (fractional): 1 O 0.86025354967670 0.37084523505748 0.23416290292063 15.999 > 1 2 O 0.86025354967670 0.87084523505748 0.23416290292063 15.999 > 1 3 O 0.86025354967670 0.37084523505748 0.73416290292063 15.999 > 1 4 O 0.86025354967670 0.87084523505748 0.73416290292063 15.999 > 1 5 O 0.13974645032330 0.37084523505748 0.01583709707937 15.999 > 5 6 O 0.13974645032330 0.87084523505748 0.01583709707937 15.999 > 5 7 O 0.13974645032330 0.37084523505748 0.51583709707937 15.999 > 5 8 O 0.13974645032330 0.87084523505748 0.51583709707937 15.999 > 5 9 O 0.13974645032330 0.12915476494252 0.26583709707937 15.999 > 9 10 O 0.13974645032330 0.62915476494252 0.26583709707937 15.999 > 9 11 O 0.13974645032330 0.12915476494252 0.76583709707937 15.999 > 9 12 O 0.13974645032330 0.62915476494252 0.76583709707937 15.999 > 9 13 O 0.86025354967670 0.12915476494252 0.48416290292063 15.999 > 13 14 O 0.86025354967670 0.62915476494252 0.48416290292063 15.999 > 13 15 O 0.86025354967670 0.12915476494252 0.98416290292063 15.999 > 13 16 O 0.86025354967670 0.62915476494252 0.98416290292063 15.999 > 13 17 O 0.13934079763969 0.20421001508366 0.01402837704055 15.999 > 17 18 O 0.13934079763969 0.70421001508366 0.01402837704055 15.999 > 17 19 O 0.13934079763969 0.20421001508366 0.51402837704055 15.999 > 17 20 O 0.13934079763969 0.70421001508366 0.51402837704055 15.999 > 17 21 O 0.86065920236031 0.20421001508366 0.23597162295945 15.999 > 21 22 O 0.86065920236031 0.70421001508366 0.23597162295945 15.999 > 21 23 O 0.86065920236031 0.20421001508366 0.73597162295945 15.999 > 21 24 O 0.86065920236031 0.70421001508366 0.73597162295945 15.999 > 21 25 O 0.63525365659392 0.22994404472531 0.32864365487053 15.999 > 25 26 O 0.63525365659392 0.72994404472531 0.32864365487053 15.999 > 25 27 O 0.63525365659392 0.22994404472531 0.82864365487053 15.999 > 25 28 O 0.63525365659392 0.72994404472531 0.82864365487053 15.999 > 25 29 O 0.36474634340608 0.22994404472531 0.42135634512947 15.999 > 29 30 O 0.36474634340608 0.72994404472531 0.42135634512947 15.999 > 29 31 O 0.36474634340608 0.22994404472531 0.92135634512947 15.999 > 29 32 O 0.36474634340608 0.72994404472531 0.92135634512947 15.999 > 29 33 O 0.36474634340608 0.27005595527469 0.17135634512947 15.999 > 33 34 O 0.36474634340608 0.77005595527469 0.17135634512947 15.999 > 33 35 O 0.36474634340608 0.27005595527469 0.67135634512947 15.999 > 33 36 O 0.36474634340608 0.77005595527469 0.67135634512947 15.999 > 33 37 O 0.63525365659392 0.27005595527469 0.07864365487053 15.999 > 37 38 O 0.63525365659392 0.77005595527469 0.07864365487053 15.999 > 37 39 O 0.63525365659392 0.27005595527469 0.57864365487053 15.999 > 37 40 O 0.63525365659392 0.77005595527469 0.57864365487053 15.999 > 37 41 O 0.13934079763969 0.29578998491634 0.26402837704055 15.999 > 41 42 O 0.13934079763969 0.79578998491634 0.26402837704055 15.999 > 41 43 O 0.13934079763969 0.29578998491634 0.76402837704055 15.999 > 41 44 O 0.13934079763969 0.79578998491634 0.76402837704055 15.999 > 41 45 O 0.86065920236031 0.29578998491634 0.48597162295945 15.999 > 45 46 O 0.86065920236031 0.79578998491634 0.48597162295945 15.999 > 45 47 O 0.86065920236031 0.29578998491634 0.98597162295945 15.999 > 45 48 O 0.86065920236031 0.79578998491634 0.98597162295945 15.999 > 45 49 O 0.36025354967670 0.12084523505748 0.23416290292063 15.999 > 1 50 O 0.36025354967670 0.62084523505748 0.23416290292063 15.999 > 1 51 O 0.36025354967670 0.12084523505748 0.73416290292063 15.999 > 1 52 O 0.36025354967670 0.62084523505748 0.73416290292063 15.999 > 1 53 O 0.63974645032330 0.12084523505748 0.01583709707937 15.999 > 5 54 O 0.63974645032330 0.62084523505748 0.01583709707937 15.999 > 5 55 O 0.63974645032330 0.12084523505748 0.51583709707937 15.999 > 5 56 O 0.63974645032330 0.62084523505748 0.51583709707937 15.999 > 5 57 O 0.63974645032330 0.37915476494252 0.26583709707937 15.999 > 9 58 O 0.63974645032330 0.87915476494252 0.26583709707937 15.999 > 9 59 O 0.63974645032330 0.37915476494252 0.76583709707937 15.999 > 9 60 O 0.63974645032330 0.87915476494252 0.76583709707937 15.999 > 9 61 O 0.36025354967670 0.37915476494252 0.48416290292063 15.999 > 13 62 O 0.36025354967670 0.87915476494252 0.48416290292063 15.999 > 13 63 O 0.36025354967670 0.37915476494252 0.98416290292063 15.999 > 13 64 O 0.36025354967670 0.87915476494252 0.98416290292063 15.999 > 13 65 O 0.63934079763969 0.45421001508366 0.01402837704055 15.999 > 17 66 O 0.63934079763969 0.95421001508366 0.01402837704055 15.999 > 17 67 O 0.63934079763969 0.45421001508366 0.51402837704055 15.999 > 17 68 O 0.63934079763969 0.95421001508366 0.51402837704055 15.999 > 17 69 O 0.36065920236031 0.45421001508366 0.23597162295945 15.999 > 21 70 O 0.36065920236031 0.95421001508366 0.23597162295945 15.999 > 21 71 O 0.36065920236031 0.45421001508366 0.73597162295945 15.999 > 21 72 O 0.36065920236031 0.95421001508366 0.73597162295945 15.999 > 21 73 O 0.13525365659392 0.47994404472531 0.32864365487053 15.999 > 25 74 O 0.13525365659392 0.97994404472531 0.32864365487053 15.999 > 25 75 O 0.13525365659392 0.47994404472531 0.82864365487053 15.999 > 25 76 O 0.13525365659392 0.97994404472531 0.82864365487053 15.999 > 25 77 O 0.86474634340608 0.47994404472531 0.42135634512947 15.999 > 29 78 O 0.86474634340608 0.97994404472531 0.42135634512947 15.999 > 29 79 O 0.86474634340608 0.47994404472531 0.92135634512947 15.999 > 29 80 O 0.86474634340608 0.97994404472531 0.92135634512947 15.999 > 29 81 O 0.86474634340608 0.02005595527469 0.17135634512947 15.999 > 33 82 O 0.86474634340608 0.52005595527469 0.17135634512947 15.999 > 33 83 O 0.86474634340608 0.02005595527469 0.67135634512947 15.999 > 33 84 O 0.86474634340608 0.52005595527469 0.67135634512947 15.999 > 33 85 O 0.13525365659392 0.02005595527469 0.07864365487053 15.999 > 37 86 O 0.13525365659392 0.52005595527469 0.07864365487053 15.999 > 37 87 O 0.13525365659392 0.02005595527469 0.57864365487053 15.999 > 37 88 O 0.13525365659392 0.52005595527469 0.57864365487053 15.999 > 37 89 O 0.63934079763969 0.04578998491634 0.26402837704055 15.999 > 41 90 O 0.63934079763969 0.54578998491634 0.26402837704055 15.999 > 41 91 O 0.63934079763969 0.04578998491634 0.76402837704055 15.999 > 41 92 O 0.63934079763969 0.54578998491634 0.76402837704055 15.999 > 41 93 O 0.36065920236031 0.04578998491634 0.48597162295945 15.999 > 45 94 O 0.36065920236031 0.54578998491634 0.48597162295945 15.999 > 45 95 O 0.36065920236031 0.04578998491634 0.98597162295945 15.999 > 45 96 O 0.36065920236031 0.54578998491634 0.98597162295945 15.999 > 45 97 Ti 0.23006527972877 0.20907894578117 0.21767694185912 47.867 > 97 98 Ti 0.23006527972877 0.70907894578117 0.21767694185912 47.867 > 97 99 Ti 0.23006527972877 0.20907894578117 0.71767694185912 47.867 > 97 100 Ti 0.23006527972877 0.70907894578117 0.71767694185912 47.867 > 97 101 Ti 0.76993472027123 0.20907894578117 0.03232305814088 47.867 > 101 102 Ti 0.76993472027123 0.70907894578117 0.03232305814088 47.867 > 101 103 Ti 0.76993472027123 0.20907894578117 0.53232305814088 47.867 > 101 104 Ti 0.76993472027123 0.70907894578117 0.53232305814088 47.867 > 101 105 Ti 0.76993472027123 0.29092105421884 0.28232305814088 47.867 > 105 106 Ti 0.76993472027123 0.79092105421883 0.28232305814088 47.867 > 105 107 Ti 0.76993472027123 0.29092105421884 0.78232305814088 47.867 > 105 108 Ti 0.76993472027123 0.79092105421883 0.78232305814088 47.867 > 105 109 Ti 0.23006527972877 0.29092105421884 0.46767694185912 47.867 > 109 110 Ti 0.23006527972877 0.79092105421883 0.46767694185912 47.867 > 109 111 Ti 0.23006527972877 0.29092105421884 0.96767694185912 47.867 > 109 112 Ti 0.23006527972877 0.79092105421883 0.96767694185912 47.867 > 109 113 Ti 0.73006527972877 0.45907894578116 0.21767694185912 47.867 > 97 114 Ti 0.73006527972877 0.95907894578117 0.21767694185912 47.867 > 97 115 Ti 0.73006527972877 0.45907894578116 0.71767694185912 47.867 > 97 116 Ti 0.73006527972877 0.95907894578117 0.71767694185912 47.867 > 97 117 Ti 0.26993472027123 0.45907894578116 0.03232305814088 47.867 > 101 118 Ti 0.26993472027123 0.95907894578117 0.03232305814088 47.867 > 101 119 Ti 0.26993472027123 0.45907894578116 0.53232305814088 47.867 > 101 120 Ti 0.26993472027123 0.95907894578117 0.53232305814088 47.867 > 101 121 Ti 0.26993472027123 0.04092105421883 0.28232305814088 47.867 > 105 122 Ti 0.26993472027123 0.54092105421883 0.28232305814088 47.867 > 105 123 Ti 0.26993472027123 0.04092105421883 0.78232305814088 47.867 > 105 124 Ti 0.26993472027123 0.54092105421883 0.78232305814088 47.867 > 105 125 Ti 0.73006527972877 0.04092105421883 0.46767694185912 47.867 > 109 126 Ti 0.73006527972877 0.54092105421883 0.46767694185912 47.867 > 109 127 Ti 0.73006527972877 0.04092105421883 0.96767694185912 47.867 > 109 128 Ti 0.73006527972877 0.54092105421883 0.96767694185912 47.867 > 109 129 Th 0.00000000000000 0.40660418915734 0.12500000000000 232.038 > 129 130 Th 0.00000000000000 0.90660418915734 0.12500000000000 232.038 > 129 131 Th 0.00000000000000 0.40660418915734 0.62500000000000 232.038 > 129 132 Th 0.00000000000000 0.90660418915734 0.62500000000000 232.038 > 129 133 Th 0.00000000000000 0.09339581084265 0.37500000000000 232.038 > 133 134 Th 0.00000000000000 0.59339581084266 0.37500000000000 232.038 > 133 135 Th 0.00000000000000 0.09339581084265 0.87500000000000 232.038 > 133 136 Th 0.00000000000000 0.59339581084266 0.87500000000000 232.038 > 133 137 Th 0.50000000000000 0.15660418915735 0.12500000000000 232.038 > 129 138 Th 0.50000000000000 0.65660418915734 0.12500000000000 232.038 > 129 139 Th 0.50000000000000 0.15660418915735 0.62500000000000 232.038 > 129 140 Th 0.50000000000000 0.65660418915734 0.62500000000000 232.038 > 129 141 Th 0.50000000000000 0.34339581084266 0.37500000000000 232.038 > 133 142 Th 0.50000000000000 0.84339581084266 0.37500000000000 232.038 > 133 143 Th 0.50000000000000 0.34339581084266 0.87500000000000 232.038 > 133 144 Th 0.50000000000000 0.84339581084266 0.87500000000000 232.038 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4790074 0.0000000 -0.5718219 0.0000000 6.0959176 0.0000000 -0.5718195 0.0000000 5.9283549 -------------------------- Born effective charges -------------------------- 1 O -3.4744450 -0.7723688 0.9842178 -0.6264903 -3.5187678 0.7027381 0.9840701 0.3450929 -1.4515156 2 O -3.4744450 0.7723688 0.9842178 0.6264903 -3.5187678 -0.7027381 0.9840701 -0.3450929 -1.4515156 3 O -3.4744450 -0.7723688 0.9842178 -0.6264903 -3.5187678 0.7027381 0.9840701 0.3450929 -1.4515156 4 O -3.4744450 0.7723688 0.9842178 0.6264903 -3.5187678 -0.7027381 0.9840701 -0.3450929 -1.4515156 5 O -1.8275100 -1.1807312 0.2449293 -1.1685492 -2.9047612 0.1547330 0.1452515 -0.1239293 -3.6545378 6 O -1.8275100 1.1807312 0.2449293 1.1685492 -2.9047612 -0.1547330 0.1452515 0.1239293 -3.6545378 7 O -2.4510732 -0.4616942 -0.1245270 -0.4725845 -2.4863872 -0.1820533 -0.0643367 -0.1655867 -3.4512215 8 O -2.4510732 0.4616942 -0.1245270 0.4725845 -2.4863872 0.1820533 -0.0643367 0.1655867 -3.4512215 9 O -2.4510732 -0.4616942 -0.1245270 -0.4725845 -2.4863872 -0.1820533 -0.0643367 -0.1655867 -3.4512215 10 O -2.4510732 0.4616942 -0.1245270 0.4725845 -2.4863872 0.1820533 -0.0643367 0.1655867 -3.4512215 11 O -1.8275100 1.1807312 0.2449293 1.1685492 -2.9047612 -0.1547330 0.1452515 0.1239293 -3.6545378 12 O -1.8275100 -1.1807312 0.2449293 -1.1685492 -2.9047612 0.1547330 0.1452515 -0.1239293 -3.6545378 13 Ti 4.1900057 0.2692718 -1.0706653 0.1344677 5.8934444 -0.2530999 -0.9988949 0.4561835 5.5941331 14 Ti 4.1900057 -0.2692718 -1.0706653 -0.1344677 5.8934444 0.2530999 -0.9988949 -0.4561835 5.5941331 15 Ti 4.1900057 0.2692718 -1.0706653 0.1344677 5.8934444 -0.2530999 -0.9988949 0.4561835 5.5941331 16 Ti 4.1900057 -0.2692718 -1.0706653 -0.1344677 5.8934444 0.2530999 -0.9988949 -0.4561835 5.5941331 17 Th 7.1260450 0.0000000 -0.0679095 0.0000000 6.0329436 0.0000000 -0.1321800 0.0000000 5.9262834 18 Th 7.1260450 0.0000000 -0.0679095 0.0000000 6.0329436 0.0000000 -0.1321800 0.0000000 5.9262834 ---------------------------------------------------------------------------- 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (xyx) -0.00000002 (xyx) -0.00000002 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) 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 20:25:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:25:36]------------------------- Compiled with OpenMP support (max 32 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: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.378409385091980 -4.264106520000000 0.000000000000000 b 5.378409385091980 4.264106520000000 0.000000000000000 c -2.202101973084408 0.000000000000000 4.708472668817079 Atomic positions (fractional): 1 O 0.11856307956174 0.60194401979167 0.46832580584126 15.999 2 O 0.39805598020833 0.88143692043826 0.03167419415874 15.999 3 O 0.88143692043826 0.39805598020833 0.53167419415874 15.999 4 O 0.60194401979167 0.11856307956174 0.96832580584126 15.999 5 O 0.73092076747238 0.54776082780701 0.02805675408111 15.999 6 O 0.45223917219299 0.26907923252762 0.47194324591889 15.999 7 O 0.17536556714329 0.09514174604454 0.65728730974105 15.999 8 O 0.90485825395546 0.82463443285671 0.84271269025895 15.999 9 O 0.82463443285671 0.90485825395546 0.34271269025895 15.999 10 O 0.09514174604454 0.17536556714329 0.15728730974106 15.999 11 O 0.54776082780701 0.73092076747238 0.52805675408111 15.999 12 O 0.26907923252762 0.45223917219299 0.97194324591889 15.999 13 Ti 0.81190738816643 0.64822317129110 0.43535388371824 47.867 14 Ti 0.35177682870890 0.18809261183357 0.06464611628176 47.867 15 Ti 0.18809261183356 0.35177682870891 0.56464611628176 47.867 16 Ti 0.64822317129109 0.81190738816644 0.93535388371824 47.867 17 Th 0.18679162168531 0.81320837831469 0.25000000000000 232.038 18 Th 0.81320837831469 0.18679162168531 0.75000000000000 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.756818770183960 0.000000000000000 0.000000000000000 b 0.000000000000000 17.056426080000001 0.000000000000000 c -4.404203946168816 0.000000000000000 9.416945337634157 Atomic positions (fractional): 1 O 0.86025354967670 0.37084523505748 0.23416290292063 15.999 > 1 2 O 0.86025354967670 0.87084523505748 0.23416290292063 15.999 > 1 3 O 0.86025354967670 0.37084523505748 0.73416290292063 15.999 > 1 4 O 0.86025354967670 0.87084523505748 0.73416290292063 15.999 > 1 5 O 0.13974645032330 0.37084523505748 0.01583709707937 15.999 > 5 6 O 0.13974645032330 0.87084523505748 0.01583709707937 15.999 > 5 7 O 0.13974645032330 0.37084523505748 0.51583709707937 15.999 > 5 8 O 0.13974645032330 0.87084523505748 0.51583709707937 15.999 > 5 9 O 0.13974645032330 0.12915476494252 0.26583709707937 15.999 > 9 10 O 0.13974645032330 0.62915476494252 0.26583709707937 15.999 > 9 11 O 0.13974645032330 0.12915476494252 0.76583709707937 15.999 > 9 12 O 0.13974645032330 0.62915476494252 0.76583709707937 15.999 > 9 13 O 0.86025354967670 0.12915476494252 0.48416290292063 15.999 > 13 14 O 0.86025354967670 0.62915476494252 0.48416290292063 15.999 > 13 15 O 0.86025354967670 0.12915476494252 0.98416290292063 15.999 > 13 16 O 0.86025354967670 0.62915476494252 0.98416290292063 15.999 > 13 17 O 0.13934079763969 0.20421001508366 0.01402837704055 15.999 > 17 18 O 0.13934079763969 0.70421001508366 0.01402837704055 15.999 > 17 19 O 0.13934079763969 0.20421001508366 0.51402837704055 15.999 > 17 20 O 0.13934079763969 0.70421001508366 0.51402837704055 15.999 > 17 21 O 0.86065920236031 0.20421001508366 0.23597162295945 15.999 > 21 22 O 0.86065920236031 0.70421001508366 0.23597162295945 15.999 > 21 23 O 0.86065920236031 0.20421001508366 0.73597162295945 15.999 > 21 24 O 0.86065920236031 0.70421001508366 0.73597162295945 15.999 > 21 25 O 0.63525365659392 0.22994404472531 0.32864365487053 15.999 > 25 26 O 0.63525365659392 0.72994404472531 0.32864365487053 15.999 > 25 27 O 0.63525365659392 0.22994404472531 0.82864365487053 15.999 > 25 28 O 0.63525365659392 0.72994404472531 0.82864365487053 15.999 > 25 29 O 0.36474634340608 0.22994404472531 0.42135634512947 15.999 > 29 30 O 0.36474634340608 0.72994404472531 0.42135634512947 15.999 > 29 31 O 0.36474634340608 0.22994404472531 0.92135634512947 15.999 > 29 32 O 0.36474634340608 0.72994404472531 0.92135634512947 15.999 > 29 33 O 0.36474634340608 0.27005595527469 0.17135634512947 15.999 > 33 34 O 0.36474634340608 0.77005595527469 0.17135634512947 15.999 > 33 35 O 0.36474634340608 0.27005595527469 0.67135634512947 15.999 > 33 36 O 0.36474634340608 0.77005595527469 0.67135634512947 15.999 > 33 37 O 0.63525365659392 0.27005595527469 0.07864365487053 15.999 > 37 38 O 0.63525365659392 0.77005595527469 0.07864365487053 15.999 > 37 39 O 0.63525365659392 0.27005595527469 0.57864365487053 15.999 > 37 40 O 0.63525365659392 0.77005595527469 0.57864365487053 15.999 > 37 41 O 0.13934079763969 0.29578998491634 0.26402837704055 15.999 > 41 42 O 0.13934079763969 0.79578998491634 0.26402837704055 15.999 > 41 43 O 0.13934079763969 0.29578998491634 0.76402837704055 15.999 > 41 44 O 0.13934079763969 0.79578998491634 0.76402837704055 15.999 > 41 45 O 0.86065920236031 0.29578998491634 0.48597162295945 15.999 > 45 46 O 0.86065920236031 0.79578998491634 0.48597162295945 15.999 > 45 47 O 0.86065920236031 0.29578998491634 0.98597162295945 15.999 > 45 48 O 0.86065920236031 0.79578998491634 0.98597162295945 15.999 > 45 49 O 0.36025354967670 0.12084523505748 0.23416290292063 15.999 > 1 50 O 0.36025354967670 0.62084523505748 0.23416290292063 15.999 > 1 51 O 0.36025354967670 0.12084523505748 0.73416290292063 15.999 > 1 52 O 0.36025354967670 0.62084523505748 0.73416290292063 15.999 > 1 53 O 0.63974645032330 0.12084523505748 0.01583709707937 15.999 > 5 54 O 0.63974645032330 0.62084523505748 0.01583709707937 15.999 > 5 55 O 0.63974645032330 0.12084523505748 0.51583709707937 15.999 > 5 56 O 0.63974645032330 0.62084523505748 0.51583709707937 15.999 > 5 57 O 0.63974645032330 0.37915476494252 0.26583709707937 15.999 > 9 58 O 0.63974645032330 0.87915476494252 0.26583709707937 15.999 > 9 59 O 0.63974645032330 0.37915476494252 0.76583709707937 15.999 > 9 60 O 0.63974645032330 0.87915476494252 0.76583709707937 15.999 > 9 61 O 0.36025354967670 0.37915476494252 0.48416290292063 15.999 > 13 62 O 0.36025354967670 0.87915476494252 0.48416290292063 15.999 > 13 63 O 0.36025354967670 0.37915476494252 0.98416290292063 15.999 > 13 64 O 0.36025354967670 0.87915476494252 0.98416290292063 15.999 > 13 65 O 0.63934079763969 0.45421001508366 0.01402837704055 15.999 > 17 66 O 0.63934079763969 0.95421001508366 0.01402837704055 15.999 > 17 67 O 0.63934079763969 0.45421001508366 0.51402837704055 15.999 > 17 68 O 0.63934079763969 0.95421001508366 0.51402837704055 15.999 > 17 69 O 0.36065920236031 0.45421001508366 0.23597162295945 15.999 > 21 70 O 0.36065920236031 0.95421001508366 0.23597162295945 15.999 > 21 71 O 0.36065920236031 0.45421001508366 0.73597162295945 15.999 > 21 72 O 0.36065920236031 0.95421001508366 0.73597162295945 15.999 > 21 73 O 0.13525365659392 0.47994404472531 0.32864365487053 15.999 > 25 74 O 0.13525365659392 0.97994404472531 0.32864365487053 15.999 > 25 75 O 0.13525365659392 0.47994404472531 0.82864365487053 15.999 > 25 76 O 0.13525365659392 0.97994404472531 0.82864365487053 15.999 > 25 77 O 0.86474634340608 0.47994404472531 0.42135634512947 15.999 > 29 78 O 0.86474634340608 0.97994404472531 0.42135634512947 15.999 > 29 79 O 0.86474634340608 0.47994404472531 0.92135634512947 15.999 > 29 80 O 0.86474634340608 0.97994404472531 0.92135634512947 15.999 > 29 81 O 0.86474634340608 0.02005595527469 0.17135634512947 15.999 > 33 82 O 0.86474634340608 0.52005595527469 0.17135634512947 15.999 > 33 83 O 0.86474634340608 0.02005595527469 0.67135634512947 15.999 > 33 84 O 0.86474634340608 0.52005595527469 0.67135634512947 15.999 > 33 85 O 0.13525365659392 0.02005595527469 0.07864365487053 15.999 > 37 86 O 0.13525365659392 0.52005595527469 0.07864365487053 15.999 > 37 87 O 0.13525365659392 0.02005595527469 0.57864365487053 15.999 > 37 88 O 0.13525365659392 0.52005595527469 0.57864365487053 15.999 > 37 89 O 0.63934079763969 0.04578998491634 0.26402837704055 15.999 > 41 90 O 0.63934079763969 0.54578998491634 0.26402837704055 15.999 > 41 91 O 0.63934079763969 0.04578998491634 0.76402837704055 15.999 > 41 92 O 0.63934079763969 0.54578998491634 0.76402837704055 15.999 > 41 93 O 0.36065920236031 0.04578998491634 0.48597162295945 15.999 > 45 94 O 0.36065920236031 0.54578998491634 0.48597162295945 15.999 > 45 95 O 0.36065920236031 0.04578998491634 0.98597162295945 15.999 > 45 96 O 0.36065920236031 0.54578998491634 0.98597162295945 15.999 > 45 97 Ti 0.23006527972877 0.20907894578117 0.21767694185912 47.867 > 97 98 Ti 0.23006527972877 0.70907894578117 0.21767694185912 47.867 > 97 99 Ti 0.23006527972877 0.20907894578117 0.71767694185912 47.867 > 97 100 Ti 0.23006527972877 0.70907894578117 0.71767694185912 47.867 > 97 101 Ti 0.76993472027123 0.20907894578117 0.03232305814088 47.867 > 101 102 Ti 0.76993472027123 0.70907894578117 0.03232305814088 47.867 > 101 103 Ti 0.76993472027123 0.20907894578117 0.53232305814088 47.867 > 101 104 Ti 0.76993472027123 0.70907894578117 0.53232305814088 47.867 > 101 105 Ti 0.76993472027123 0.29092105421884 0.28232305814088 47.867 > 105 106 Ti 0.76993472027123 0.79092105421883 0.28232305814088 47.867 > 105 107 Ti 0.76993472027123 0.29092105421884 0.78232305814088 47.867 > 105 108 Ti 0.76993472027123 0.79092105421883 0.78232305814088 47.867 > 105 109 Ti 0.23006527972877 0.29092105421884 0.46767694185912 47.867 > 109 110 Ti 0.23006527972877 0.79092105421883 0.46767694185912 47.867 > 109 111 Ti 0.23006527972877 0.29092105421884 0.96767694185912 47.867 > 109 112 Ti 0.23006527972877 0.79092105421883 0.96767694185912 47.867 > 109 113 Ti 0.73006527972877 0.45907894578116 0.21767694185912 47.867 > 97 114 Ti 0.73006527972877 0.95907894578117 0.21767694185912 47.867 > 97 115 Ti 0.73006527972877 0.45907894578116 0.71767694185912 47.867 > 97 116 Ti 0.73006527972877 0.95907894578117 0.71767694185912 47.867 > 97 117 Ti 0.26993472027123 0.45907894578116 0.03232305814088 47.867 > 101 118 Ti 0.26993472027123 0.95907894578117 0.03232305814088 47.867 > 101 119 Ti 0.26993472027123 0.45907894578116 0.53232305814088 47.867 > 101 120 Ti 0.26993472027123 0.95907894578117 0.53232305814088 47.867 > 101 121 Ti 0.26993472027123 0.04092105421883 0.28232305814088 47.867 > 105 122 Ti 0.26993472027123 0.54092105421883 0.28232305814088 47.867 > 105 123 Ti 0.26993472027123 0.04092105421883 0.78232305814088 47.867 > 105 124 Ti 0.26993472027123 0.54092105421883 0.78232305814088 47.867 > 105 125 Ti 0.73006527972877 0.04092105421883 0.46767694185912 47.867 > 109 126 Ti 0.73006527972877 0.54092105421883 0.46767694185912 47.867 > 109 127 Ti 0.73006527972877 0.04092105421883 0.96767694185912 47.867 > 109 128 Ti 0.73006527972877 0.54092105421883 0.96767694185912 47.867 > 109 129 Th 0.00000000000000 0.40660418915734 0.12500000000000 232.038 > 129 130 Th 0.00000000000000 0.90660418915734 0.12500000000000 232.038 > 129 131 Th 0.00000000000000 0.40660418915734 0.62500000000000 232.038 > 129 132 Th 0.00000000000000 0.90660418915734 0.62500000000000 232.038 > 129 133 Th 0.00000000000000 0.09339581084265 0.37500000000000 232.038 > 133 134 Th 0.00000000000000 0.59339581084266 0.37500000000000 232.038 > 133 135 Th 0.00000000000000 0.09339581084265 0.87500000000000 232.038 > 133 136 Th 0.00000000000000 0.59339581084266 0.87500000000000 232.038 > 133 137 Th 0.50000000000000 0.15660418915735 0.12500000000000 232.038 > 129 138 Th 0.50000000000000 0.65660418915734 0.12500000000000 232.038 > 129 139 Th 0.50000000000000 0.15660418915735 0.62500000000000 232.038 > 129 140 Th 0.50000000000000 0.65660418915734 0.62500000000000 232.038 > 129 141 Th 0.50000000000000 0.34339581084266 0.37500000000000 232.038 > 133 142 Th 0.50000000000000 0.84339581084266 0.37500000000000 232.038 > 133 143 Th 0.50000000000000 0.34339581084266 0.87500000000000 232.038 > 133 144 Th 0.50000000000000 0.84339581084266 0.87500000000000 232.038 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4790074 0.0000000 -0.5718219 0.0000000 6.0959176 0.0000000 -0.5718195 0.0000000 5.9283549 -------------------------- Born effective charges -------------------------- 1 O -3.4744450 -0.7723688 0.9842178 -0.6264903 -3.5187678 0.7027381 0.9840701 0.3450929 -1.4515156 2 O -3.4744450 0.7723688 0.9842178 0.6264903 -3.5187678 -0.7027381 0.9840701 -0.3450929 -1.4515156 3 O -3.4744450 -0.7723688 0.9842178 -0.6264903 -3.5187678 0.7027381 0.9840701 0.3450929 -1.4515156 4 O -3.4744450 0.7723688 0.9842178 0.6264903 -3.5187678 -0.7027381 0.9840701 -0.3450929 -1.4515156 5 O -1.8275100 -1.1807312 0.2449293 -1.1685492 -2.9047612 0.1547330 0.1452515 -0.1239293 -3.6545378 6 O -1.8275100 1.1807312 0.2449293 1.1685492 -2.9047612 -0.1547330 0.1452515 0.1239293 -3.6545378 7 O -2.4510732 -0.4616942 -0.1245270 -0.4725845 -2.4863872 -0.1820533 -0.0643367 -0.1655867 -3.4512215 8 O -2.4510732 0.4616942 -0.1245270 0.4725845 -2.4863872 0.1820533 -0.0643367 0.1655867 -3.4512215 9 O -2.4510732 -0.4616942 -0.1245270 -0.4725845 -2.4863872 -0.1820533 -0.0643367 -0.1655867 -3.4512215 10 O -2.4510732 0.4616942 -0.1245270 0.4725845 -2.4863872 0.1820533 -0.0643367 0.1655867 -3.4512215 11 O -1.8275100 1.1807312 0.2449293 1.1685492 -2.9047612 -0.1547330 0.1452515 0.1239293 -3.6545378 12 O -1.8275100 -1.1807312 0.2449293 -1.1685492 -2.9047612 0.1547330 0.1452515 -0.1239293 -3.6545378 13 Ti 4.1900057 0.2692718 -1.0706653 0.1344677 5.8934444 -0.2530999 -0.9988949 0.4561835 5.5941331 14 Ti 4.1900057 -0.2692718 -1.0706653 -0.1344677 5.8934444 0.2530999 -0.9988949 -0.4561835 5.5941331 15 Ti 4.1900057 0.2692718 -1.0706653 0.1344677 5.8934444 -0.2530999 -0.9988949 0.4561835 5.5941331 16 Ti 4.1900057 -0.2692718 -1.0706653 -0.1344677 5.8934444 0.2530999 -0.9988949 -0.4561835 5.5941331 17 Th 7.1260450 0.0000000 -0.0679095 0.0000000 6.0329436 0.0000000 -0.1321800 0.0000000 5.9262834 18 Th 7.1260450 0.0000000 -0.0679095 0.0000000 6.0329436 0.0000000 -0.1321800 0.0000000 5.9262834 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xyx) -0.00000002 (xyx) -0.00000002 (xxy) 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 ... [ 8 8 11 ] 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: 0.69, Number of G-points: 293, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/201) ======================= 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.992 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.401 ( 0.000 0.000 0.000) 0.000 5.518 ( 0.000 0.000 0.000) 0.000 6.703 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 6.918 ( 0.000 0.000 0.000) 0.000 7.231 ( 0.000 0.000 0.000) 0.000 7.843 ( 0.000 0.000 0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.355 ( 0.000 0.000 0.000) 0.000 8.578 ( 0.000 0.000 0.000) 0.000 9.308 ( 0.000 0.000 0.000) 0.000 9.492 ( 0.000 0.000 0.000) 0.000 9.584 ( 0.000 0.000 0.000) 0.000 10.157 ( 0.000 0.000 0.000) 0.000 10.772 ( 0.000 0.000 0.000) 0.000 10.784 ( 0.000 0.000 0.000) 0.000 11.397 ( 0.000 0.000 0.000) 0.000 11.994 ( 0.000 0.000 0.000) 0.000 12.023 ( 0.000 0.000 0.000) 0.000 12.129 ( 0.000 0.000 0.000) 0.000 12.379 ( 0.000 0.000 0.000) 0.000 13.264 ( 0.000 0.000 0.000) 0.000 13.460 ( 0.000 0.000 0.000) 0.000 13.538 ( 0.000 0.000 0.000) 0.000 13.572 ( 0.000 0.000 0.000) 0.000 13.591 ( 0.000 0.000 0.000) 0.000 13.760 ( 0.000 0.000 0.000) 0.000 14.675 ( 0.000 0.000 0.000) 0.000 14.801 ( 0.000 0.000 0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 15.442 ( 0.000 0.000 0.000) 0.000 16.059 ( 0.000 0.000 0.000) 0.000 16.398 ( 0.000 0.000 0.000) 0.000 16.707 ( 0.000 0.000 0.000) 0.000 17.520 ( 0.000 0.000 0.000) 0.000 17.993 ( 0.000 0.000 0.000) 0.000 19.292 ( 0.000 0.000 0.000) 0.000 20.168 ( 0.000 0.000 0.000) 0.000 21.168 ( 0.000 0.000 0.000) 0.000 21.437 ( 0.000 0.000 0.000) 0.000 21.669 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/201) ======================= q-point: ( 0.12 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( 14.512 -26.572 1.650) 30.322 0.690 ( 31.058 -23.546 -6.134) 39.455 1.168 ( 26.523 -48.271 17.410) 57.764 2.523 ( 3.387 1.188 2.045) 4.130 2.692 ( 2.940 0.083 1.165) 3.164 3.570 ( -7.693 3.746 -2.985) 9.062 3.704 ( -5.248 -1.019 -0.848) 5.413 4.030 ( 0.658 -15.146 -4.308) 15.761 4.387 ( 1.430 20.731 24.026) 31.766 4.722 ( 12.138 9.439 2.530) 15.582 5.136 ( 2.853 0.331 -7.278) 7.824 5.288 ( -7.064 6.011 3.086) 9.775 5.460 ( 5.505 3.101 -1.595) 6.517 5.699 ( 3.588 -9.553 -7.793) 12.840 6.768 ( -1.289 9.753 -5.463) 11.253 6.821 ( 2.352 16.133 1.599) 16.382 7.170 ( -6.935 -4.758 2.411) 8.749 7.253 ( 1.499 -7.634 -5.586) 9.577 7.787 ( -0.142 5.773 -3.668) 6.841 8.001 ( 1.044 7.466 0.313) 7.545 8.254 ( 2.233 -1.465 -1.868) 3.259 8.346 ( -2.216 -5.833 -9.101) 11.034 8.700 ( 5.935 -4.796 15.442) 17.224 9.297 ( -3.676 -1.127 -4.237) 5.721 9.562 ( 0.376 3.883 4.273) 5.786 10.072 ( -3.995 4.273 -4.277) 7.246 10.789 ( 4.554 -1.291 -0.170) 4.737 10.877 ( 3.029 -6.973 -1.222) 7.700 11.393 ( -3.309 -0.666 0.090) 3.377 11.628 ( -38.323 -24.861 -7.458) 46.286 12.048 ( -0.579 -3.549 -0.075) 3.597 12.141 ( -6.252 -6.631 2.619) 9.482 12.280 ( -7.865 -16.249 -18.311) 25.714 12.719 ( -36.652 -25.341 7.046) 45.113 13.235 ( -0.626 2.851 -4.832) 5.645 13.460 ( 0.178 1.339 4.773) 4.961 13.541 ( 3.463 0.482 -1.144) 3.679 13.625 ( 4.973 -0.972 -0.711) 5.116 13.777 ( -1.918 -4.353 -0.225) 4.762 13.939 ( -32.153 -37.042 -20.058) 52.993 14.627 ( -5.422 1.790 -2.650) 6.295 15.169 ( 0.079 4.871 1.657) 5.146 15.390 ( -5.930 -6.231 -6.252) 10.634 16.007 ( -11.373 -6.301 32.470) 34.976 16.424 ( 0.347 -4.002 0.215) 4.023 16.714 ( 1.726 -0.155 -1.559) 2.331 17.517 ( 0.303 -0.329 -2.659) 2.697 17.926 ( -8.794 2.933 5.014) 10.539 18.820 ( 45.595 36.471 12.993) 59.815 19.688 ( -0.218 5.919 13.188) 14.457 20.188 ( 3.704 0.090 -0.625) 3.758 21.320 ( -15.490 -3.636 6.378) 17.142 21.738 ( 6.321 -3.535 -0.918) 7.300 23.339 ( -0.289 -21.870 -63.458) 67.121 ======================= Grid point 2 (3/201) ======================= 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 12.559 -22.155 1.504) 25.511 1.328 ( 27.173 -21.467 -6.387) 35.213 2.140 ( 18.947 -33.403 10.961) 39.936 2.540 ( 4.655 4.347 3.163) 7.111 2.785 ( 7.232 -3.339 2.713) 8.414 3.374 ( -12.255 5.051 0.813) 13.280 3.702 ( -0.989 -3.631 0.461) 3.792 4.197 ( -11.625 -9.018 6.600) 16.125 4.299 ( 13.086 2.406 -3.643) 13.795 4.630 ( 4.972 16.705 0.529) 17.438 5.119 ( -6.098 2.842 -3.086) 7.402 5.198 ( -1.591 -6.213 1.667) 6.627 5.506 ( -4.345 -6.532 5.906) 9.820 5.797 ( 0.875 -5.845 -7.822) 9.804 6.511 ( 4.777 27.499 -1.066) 27.931 6.577 ( -0.930 13.448 -5.187) 14.443 7.181 ( -3.500 -3.066 5.014) 6.840 7.379 ( -0.452 -10.793 -4.214) 11.595 7.656 ( -0.979 7.020 -4.308) 8.294 7.862 ( 3.661 11.870 -2.977) 12.773 8.262 ( -2.292 2.011 6.705) 7.365 8.400 ( -0.225 -8.165 -7.429) 11.041 8.932 ( 2.020 -3.197 13.833) 14.340 9.245 ( 0.240 -1.491 -6.984) 7.146 9.575 ( -0.361 -3.485 8.948) 9.610 9.942 ( -3.128 3.698 -3.225) 5.819 10.852 ( 0.402 -1.134 1.843) 2.201 11.042 ( 7.396 -7.881 -1.099) 10.864 11.252 ( -19.211 4.979 5.046) 20.477 11.537 ( -11.290 -9.172 -7.243) 16.250 12.103 ( -1.853 -5.018 1.523) 5.562 12.220 ( -2.359 -8.465 2.173) 9.052 12.338 ( 2.680 -7.578 -13.204) 15.458 12.714 ( -12.832 -7.618 8.070) 16.965 13.115 ( -1.225 6.532 -7.621) 10.112 13.457 ( 1.511 5.131 6.307) 8.270 13.588 ( 4.420 -0.948 -0.262) 4.528 13.696 ( 4.778 -1.574 -0.567) 5.062 13.832 ( 1.590 -2.073 0.987) 2.793 14.018 ( -13.241 -18.964 -7.957) 24.459 14.513 ( -5.951 0.475 -4.392) 7.412 15.048 ( -5.909 4.357 -1.509) 7.495 15.485 ( 2.927 -9.151 0.478) 9.620 16.113 ( -3.709 -1.785 16.123) 16.640 16.479 ( -2.939 -3.064 0.707) 4.304 16.737 ( 2.601 -1.529 -3.092) 4.320 17.503 ( 0.102 0.024 -4.605) 4.606 17.801 ( -9.545 2.479 6.685) 11.914 18.889 ( 24.575 15.196 0.151) 28.894 19.670 ( -1.814 1.902 6.189) 6.724 20.237 ( 4.974 -0.285 -1.141) 5.111 21.209 ( -11.132 0.970 4.121) 11.910 21.876 ( 7.658 -3.980 -0.788) 8.666 23.301 ( -0.700 -7.825 -27.680) 28.773 ======================= Grid point 3 (4/201) ======================= q-point: ( 0.38 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 7.872 -13.899 0.507) 15.981 1.866 ( 20.519 -17.704 -4.396) 27.455 2.437 ( -2.758 3.193 2.689) 5.004 2.674 ( 9.404 -0.488 -1.738) 9.575 2.957 ( 6.713 -4.948 4.472) 9.462 3.211 ( -9.071 0.260 5.059) 10.390 3.803 ( 2.350 -8.186 2.463) 8.865 4.204 ( -3.279 -2.209 8.698) 9.554 4.362 ( -2.074 9.280 -8.340) 12.648 4.553 ( 6.431 -9.531 -1.197) 11.560 5.025 ( -5.318 -3.701 -1.845) 6.736 5.273 ( 3.280 0.533 -0.771) 3.411 5.593 ( -9.384 -7.724 8.399) 14.774 5.824 ( -0.870 -3.511 -1.721) 4.006 6.148 ( 5.837 24.067 -4.761) 25.219 6.328 ( -0.750 15.234 -5.299) 16.147 7.228 ( -2.153 -3.361 5.544) 6.831 7.461 ( -4.889 -3.183 -0.691) 5.874 7.575 ( 4.551 -0.539 -6.902) 8.285 7.748 ( 3.721 7.549 -1.182) 8.499 8.233 ( -1.298 2.811 5.228) 6.076 8.464 ( -1.046 -5.148 -4.480) 6.904 8.920 ( -5.788 2.191 2.617) 6.719 9.262 ( 4.665 3.640 -0.580) 5.946 9.800 ( 2.270 -12.496 2.283) 12.904 9.894 ( 2.063 -2.543 8.221) 8.849 10.853 ( -4.967 0.573 5.201) 7.215 10.894 ( -11.734 10.417 -12.443) 20.026 11.267 ( 5.544 -5.566 10.184) 12.862 11.511 ( -5.899 -4.735 -6.499) 9.973 12.158 ( -2.549 -4.094 2.729) 5.542 12.297 ( 3.053 -1.504 -5.579) 6.536 12.455 ( 1.498 -11.149 -2.017) 11.429 12.720 ( -6.142 -1.809 6.834) 9.365 12.953 ( -0.558 7.391 -8.000) 10.906 13.422 ( 0.230 4.375 4.565) 6.327 13.656 ( 3.361 -1.497 0.070) 3.680 13.782 ( 4.775 -2.955 0.400) 5.630 13.868 ( 2.291 0.689 0.071) 2.394 14.037 ( -6.824 -1.987 -1.748) 7.319 14.475 ( -3.018 -6.103 -5.248) 8.597 14.927 ( -4.712 2.572 -0.235) 5.373 15.686 ( 5.883 -8.289 3.717) 10.823 16.153 ( -2.973 -0.141 7.548) 8.114 16.427 ( -4.626 2.087 -2.712) 5.754 16.781 ( 1.781 -2.117 -1.711) 3.253 17.473 ( -0.447 0.490 -3.188) 3.256 17.726 ( -4.778 0.616 4.458) 6.563 18.937 ( 11.778 6.614 -1.608) 13.603 19.659 ( -1.196 0.634 2.781) 3.094 20.291 ( 3.757 -0.594 -1.114) 3.964 21.097 ( -6.959 1.726 2.508) 7.596 22.000 ( 5.077 -2.512 -0.372) 5.677 23.259 ( -0.691 -2.656 -12.135) 12.442 ======================= Grid point 4 (5/201) ======================= 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 178 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 0.000 -0.000 0.000) 0.000 2.224 ( 0.000 -0.000 0.000) 0.000 2.301 ( 0.000 -0.000 0.000) 0.000 2.658 ( 0.000 -0.000 0.000) 0.000 3.080 ( 0.000 -0.000 0.000) 0.000 3.163 ( -0.000 0.000 -0.000) 0.000 3.944 ( 0.000 -0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 -0.000 0.000) 0.000 4.691 ( 0.000 -0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 -0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 -0.000 0.000) 0.000 6.019 ( 0.000 0.000 0.000) 0.000 6.128 ( 0.000 -0.000 0.000) 0.000 7.263 ( 0.000 -0.000 -0.000) 0.000 7.429 ( 0.000 -0.000 0.000) 0.000 7.614 ( 0.000 -0.000 0.000) 0.000 7.712 ( 0.000 -0.000 -0.000) 0.000 8.219 ( 0.000 -0.000 0.000) 0.000 8.478 ( 0.000 -0.000 -0.000) 0.000 8.871 ( 0.000 -0.000 0.000) 0.000 9.252 ( 0.000 -0.000 0.000) 0.000 9.832 ( 0.000 -0.000 0.000) 0.000 10.124 ( 0.000 -0.000 0.000) 0.000 10.611 ( -0.000 -0.000 0.000) 0.000 10.848 ( 0.000 -0.000 -0.000) 0.000 11.408 ( 0.000 -0.000 0.000) 0.000 11.463 ( 0.000 -0.000 -0.000) 0.000 12.183 ( 0.000 -0.000 0.000) 0.000 12.303 ( 0.000 -0.000 0.000) 0.000 12.605 ( 0.000 -0.000 0.000) 0.000 12.672 ( 0.000 -0.000 -0.000) 0.000 12.859 ( 0.000 -0.000 -0.000) 0.000 13.401 ( 0.000 -0.000 0.000) 0.000 13.690 ( 0.000 -0.000 0.000) 0.000 13.872 ( -0.000 0.000 0.000) 0.000 13.873 ( 0.000 -0.000 -0.000) 0.000 13.960 ( 0.000 -0.000 0.000) 0.000 14.503 ( 0.000 -0.000 0.000) 0.000 14.876 ( 0.000 -0.000 0.000) 0.000 15.823 ( -0.000 0.000 0.000) 0.000 16.143 ( 0.000 -0.000 0.000) 0.000 16.359 ( 0.000 -0.000 0.000) 0.000 16.804 ( 0.000 -0.000 0.000) 0.000 17.456 ( 0.000 -0.000 0.000) 0.000 17.708 ( 0.000 -0.000 0.000) 0.000 18.952 ( 0.000 -0.000 0.000) 0.000 19.655 ( 0.000 -0.000 0.000) 0.000 20.317 ( 0.000 -0.000 0.000) 0.000 21.046 ( 0.000 -0.000 0.000) 0.000 22.049 ( 0.000 -0.000 0.000) 0.000 23.240 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/201) ======================= q-point: ( 0.12 0.12 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 26.195 0.000 13.562) 29.498 0.831 ( 36.381 0.000 -1.873) 36.429 1.434 ( 48.950 0.000 20.735) 53.161 2.621 ( 8.804 0.000 2.739) 9.220 2.737 ( 3.567 0.000 2.180) 4.181 3.488 ( -7.472 -0.000 -7.582) 10.645 3.724 ( -7.565 -0.000 3.710) 8.425 3.770 ( -1.299 -0.000 2.220) 2.572 4.709 ( 2.581 0.000 1.022) 2.776 4.722 ( -12.356 -0.000 19.852) 23.383 5.168 ( -13.450 -0.000 9.036) 16.204 5.391 ( -7.757 -0.000 -5.162) 9.318 5.521 ( 8.948 0.000 -12.628) 15.477 5.977 ( 8.346 0.000 -22.449) 23.950 6.704 ( 0.276 0.000 -0.559) 0.623 6.759 ( -5.675 -0.000 -9.424) 11.001 7.045 ( 7.197 0.000 -0.137) 7.199 7.277 ( 3.250 0.000 0.131) 3.253 7.840 ( 2.927 0.000 -6.453) 7.086 8.061 ( -1.163 -0.000 3.738) 3.915 8.184 ( -2.310 -0.000 -10.564) 10.814 8.281 ( 10.230 0.000 -18.253) 20.924 8.809 ( 5.096 0.000 16.875) 17.628 9.388 ( -10.436 -0.000 -4.696) 11.444 9.485 ( -0.159 -0.000 -2.812) 2.816 9.956 ( -4.161 -0.000 17.012) 17.513 10.022 ( -7.961 -0.000 -1.497) 8.100 10.872 ( 4.512 0.000 4.245) 6.195 10.924 ( -2.650 -0.000 27.638) 27.765 11.395 ( 1.757 0.000 -4.155) 4.511 11.973 ( -8.534 -0.000 15.186) 17.420 12.047 ( 8.964 0.000 -14.882) 17.373 12.132 ( 1.123 0.000 -1.641) 1.989 12.512 ( -1.932 -0.000 6.862) 7.129 13.232 ( 0.795 0.000 -6.905) 6.951 13.375 ( -4.822 -0.000 2.443) 5.405 13.576 ( 3.590 0.000 -1.005) 3.728 13.632 ( 1.852 0.000 -0.482) 1.914 13.738 ( 7.062 0.000 1.876) 7.307 13.759 ( -0.450 -0.000 1.340) 1.413 14.570 ( -6.895 -0.000 -0.748) 6.935 15.111 ( -14.176 -0.000 -14.263) 20.110 15.318 ( 7.682 0.000 7.453) 10.703 16.106 ( 0.883 0.000 27.219) 27.233 16.398 ( 0.686 0.000 -0.748) 1.015 16.718 ( 1.376 0.000 -4.174) 4.395 17.462 ( -4.343 -0.000 -0.624) 4.387 17.825 ( -16.335 -0.000 7.557) 17.998 19.369 ( 11.866 0.000 -10.980) 16.166 20.040 ( -13.785 -0.000 37.283) 39.750 20.234 ( 4.992 0.000 -0.881) 5.069 21.222 ( 2.962 0.000 3.300) 4.434 21.595 ( -5.455 -0.000 -0.495) 5.478 23.016 ( 40.711 0.000 -69.968) 80.950 ======================= Grid point 11 (7/201) ======================= q-point: ( 0.25 0.12 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 26.074 -5.090 5.049) 27.041 1.410 ( 30.431 -15.151 0.237) 33.995 2.174 ( 32.366 -13.213 19.074) 39.824 2.717 ( 11.150 4.642 3.028) 12.451 2.839 ( 8.531 -3.435 2.251) 9.469 3.302 ( -11.026 4.573 -3.153) 12.346 3.657 ( -3.723 -1.744 2.627) 4.879 3.881 ( -7.957 -13.984 0.021) 16.089 4.506 ( -0.438 11.742 1.622) 11.861 4.913 ( -1.676 1.679 7.304) 7.680 4.968 ( -6.740 -1.566 -3.823) 7.906 5.257 ( -3.770 6.139 0.210) 7.207 5.483 ( 0.248 10.026 -0.998) 10.078 5.708 ( 4.403 3.959 -10.863) 12.372 6.604 ( -4.821 3.760 -10.995) 12.580 6.898 ( -0.536 -0.651 2.381) 2.526 7.057 ( 1.989 2.666 -0.536) 3.370 7.311 ( 4.512 -0.960 0.223) 4.619 7.727 ( -0.366 8.720 -5.262) 10.192 8.012 ( 1.195 5.778 -4.652) 7.514 8.243 ( -2.272 -8.550 1.568) 8.985 8.288 ( 2.225 0.094 -2.986) 3.725 9.028 ( 2.095 -0.579 16.396) 16.539 9.144 ( -1.411 -4.040 -5.459) 6.936 9.546 ( -4.589 -2.502 -0.182) 5.230 9.881 ( -4.946 -0.124 -4.720) 6.837 10.496 ( -25.260 -46.346 0.716) 52.787 10.928 ( 5.959 2.980 1.702) 6.877 11.104 ( 2.766 -4.387 22.354) 22.948 11.402 ( 1.886 -1.272 -5.360) 5.822 11.996 ( -6.860 -5.363 10.731) 13.819 12.092 ( 6.074 -3.993 -8.599) 11.260 12.208 ( 4.628 -7.360 -7.940) 11.774 12.564 ( -2.763 -4.857 6.796) 8.798 13.151 ( -0.565 5.227 -6.861) 8.644 13.451 ( -3.836 -12.812 2.708) 13.645 13.606 ( -0.451 3.000 0.101) 3.035 13.630 ( 5.387 -1.979 -2.532) 6.272 13.768 ( 1.028 -1.005 2.436) 2.829 13.850 ( 3.590 -2.906 -0.443) 4.639 14.454 ( -7.452 3.356 -1.698) 8.347 14.889 ( -13.213 -3.447 -12.909) 18.791 15.498 ( 9.553 -3.390 10.390) 14.516 16.221 ( 2.215 3.786 16.117) 16.703 16.430 ( -0.514 -2.152 2.197) 3.118 16.703 ( 0.029 -1.744 -6.869) 7.087 17.412 ( -6.241 -1.616 -0.652) 6.480 17.679 ( -16.520 -2.069 7.460) 18.244 19.402 ( 18.272 10.107 -10.112) 23.201 19.902 ( 0.501 18.934 19.823) 27.417 20.287 ( 4.958 0.055 -1.958) 5.331 21.189 ( -1.570 6.135 2.030) 6.650 21.719 ( -5.757 -16.899 2.555) 18.034 23.152 ( 22.970 -3.743 -37.633) 44.247 ======================= Grid point 12 (8/201) ======================= q-point: ( 0.38 0.12 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 20.031 -6.426 2.431) 21.176 1.926 ( 25.389 -10.922 -1.461) 27.677 2.519 ( 3.675 4.274 7.554) 9.425 2.819 ( 4.448 5.853 4.829) 8.795 2.999 ( 5.781 -2.141 -0.758) 6.211 3.181 ( 4.267 -0.512 4.611) 6.303 3.718 ( 0.088 -8.002 2.250) 8.313 4.000 ( -8.966 -15.887 4.145) 18.707 4.382 ( 0.540 5.479 -7.749) 9.505 4.665 ( -0.741 10.321 -4.845) 11.425 5.060 ( 2.077 10.441 1.948) 10.822 5.199 ( -0.864 -11.763 4.184) 12.515 5.422 ( -7.521 -4.885 6.822) 11.268 5.712 ( -0.589 -5.359 -8.193) 9.808 6.427 ( -2.694 6.996 -9.897) 12.416 6.640 ( 4.034 31.717 0.939) 31.987 7.130 ( -3.562 -9.302 1.115) 10.022 7.374 ( 1.152 -0.256 0.158) 1.191 7.614 ( 2.560 2.631 -5.095) 6.280 7.901 ( 2.622 7.999 -3.190) 9.002 8.279 ( -2.930 1.436 8.451) 9.059 8.340 ( -0.825 -6.312 -3.759) 7.393 8.923 ( -3.826 4.341 0.022) 5.786 9.370 ( 3.476 0.997 5.974) 6.983 9.591 ( -1.055 -16.166 -1.475) 16.267 9.865 ( -0.925 -5.378 1.817) 5.751 10.618 ( -24.590 -13.819 1.943) 28.274 10.927 ( 4.827 5.567 -0.294) 7.375 11.345 ( 8.797 -4.555 14.916) 17.906 11.406 ( -0.483 -1.213 -3.471) 3.708 12.066 ( -4.179 -6.081 6.355) 9.738 12.231 ( 4.597 -9.034 -4.161) 10.957 12.322 ( 6.261 -6.938 -10.294) 13.903 12.642 ( -3.646 -5.244 6.813) 9.339 13.009 ( -1.022 7.336 -7.257) 10.369 13.512 ( -2.917 4.331 6.671) 8.472 13.625 ( -2.256 -7.018 -1.184) 7.466 13.746 ( 4.960 -7.072 -5.425) 10.200 13.843 ( -0.253 -8.027 0.312) 8.037 13.894 ( 0.912 -0.680 -1.967) 2.272 14.305 ( -8.163 0.222 -4.693) 9.419 14.780 ( -9.469 -7.028 -7.869) 14.176 15.734 ( 10.317 -3.817 11.115) 15.638 16.236 ( 2.367 5.564 6.355) 8.772 16.412 ( -3.010 2.256 0.760) 3.838 16.723 ( -0.737 -4.792 -2.743) 5.571 17.354 ( -9.665 -2.903 2.330) 10.357 17.604 ( -11.538 -5.712 3.463) 13.332 19.379 ( 20.589 18.077 -6.831) 28.237 19.783 ( 2.898 11.255 10.360) 15.569 20.323 ( 3.355 0.323 -2.019) 3.928 21.098 ( -0.611 4.207 0.332) 4.264 21.875 ( -7.279 -11.821 3.048) 14.213 23.241 ( 14.959 -0.086 -18.930) 24.128 ======================= Grid point 13 (9/201) ======================= q-point: ( 0.50 0.12 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 12.991 2.587 0.769) 13.268 2.264 ( 9.656 -1.701 0.594) 9.822 2.420 ( 1.151 11.291 2.186) 11.559 2.668 ( -6.451 5.205 4.620) 9.490 3.057 ( -2.664 -0.891 0.805) 2.922 3.260 ( 10.413 5.641 -3.355) 12.309 3.890 ( 1.879 -9.023 1.744) 9.381 4.136 ( -5.588 -6.783 -1.280) 8.881 4.223 ( -4.143 5.227 1.099) 6.760 4.686 ( 7.224 -11.471 -9.173) 16.368 4.977 ( -0.044 3.556 7.277) 8.100 5.356 ( 3.245 -1.150 0.792) 3.533 5.476 ( -6.034 -7.375 5.124) 10.819 5.782 ( -2.180 -11.282 0.857) 11.522 6.183 ( 2.839 23.381 -7.933) 24.853 6.242 ( -2.546 15.303 -1.541) 15.590 7.221 ( -3.120 -7.920 0.236) 8.515 7.362 ( 0.681 0.040 -3.779) 3.840 7.610 ( 2.397 1.790 -1.973) 3.584 7.830 ( 1.867 5.810 3.536) 7.053 8.239 ( -1.449 3.749 -0.407) 4.040 8.409 ( -1.962 -7.250 2.561) 7.936 8.890 ( 2.565 -0.316 0.768) 2.696 9.303 ( -3.319 6.750 5.644) 9.404 9.748 ( -0.019 -7.318 -7.770) 10.674 10.051 ( -1.167 -8.825 -1.499) 9.028 10.528 ( -7.589 -7.595 4.618) 11.688 10.913 ( 3.894 3.752 2.786) 6.083 11.370 ( -1.183 1.540 -5.313) 5.657 11.578 ( 8.867 -1.076 13.780) 16.421 12.143 ( -2.378 -4.983 6.056) 8.195 12.310 ( 2.032 -0.479 -4.220) 4.708 12.500 ( 5.700 -10.781 -6.087) 13.630 12.701 ( -1.397 -2.632 3.733) 4.777 12.860 ( -0.210 4.928 -5.396) 7.311 13.433 ( -3.702 4.690 4.968) 7.770 13.661 ( -1.985 -2.328 -1.617) 3.461 13.818 ( -0.273 -1.771 -7.483) 7.694 13.871 ( -3.305 0.639 0.066) 3.367 13.939 ( 0.808 -4.175 2.254) 4.813 14.295 ( -6.034 -14.698 -7.538) 17.586 14.776 ( -4.418 -7.729 -4.680) 10.058 15.882 ( 2.734 3.685 3.977) 6.072 16.218 ( 6.658 3.907 -0.748) 7.756 16.383 ( 1.136 0.227 5.135) 5.264 16.764 ( -2.448 -3.390 0.823) 4.262 17.312 ( -12.465 -6.054 6.580) 15.341 17.601 ( -7.052 -7.379 -1.440) 10.308 19.273 ( 16.515 22.120 -2.684) 27.735 19.739 ( 4.165 6.186 3.903) 8.417 20.323 ( -0.254 1.355 -0.841) 1.615 21.079 ( 5.350 1.082 -2.131) 5.859 21.923 ( -11.364 -7.146 3.291) 13.822 23.315 ( 11.720 1.398 -6.318) 13.387 ======================= Grid point 14 (10/201) ======================= q-point: (-0.38 0.12 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 1.814 17.663 -0.932) 17.781 2.024 ( -9.498 22.037 3.989) 24.326 2.423 ( 1.702 -1.124 -0.862) 2.214 2.669 ( -0.624 2.166 8.414) 8.711 2.950 ( -4.211 6.286 -6.076) 9.704 3.284 ( 7.271 0.858 -3.779) 8.239 3.884 ( -0.367 6.484 -3.961) 7.607 4.157 ( -6.064 0.315 0.129) 6.073 4.220 ( 2.082 -11.658 -0.784) 11.869 4.786 ( 5.196 13.780 0.514) 14.736 5.070 ( -3.245 -14.135 -0.064) 14.502 5.273 ( 1.935 12.204 5.431) 13.497 5.601 ( 3.432 -12.926 -2.154) 13.546 5.886 ( 2.214 5.580 -3.570) 6.985 5.995 ( -4.091 5.352 3.637) 7.656 6.100 ( -1.840 -13.622 0.535) 13.757 7.267 ( 0.484 0.729 -2.210) 2.377 7.397 ( 1.365 -9.288 -6.512) 11.425 7.587 ( -1.455 1.932 2.942) 3.809 7.776 ( -0.132 7.985 7.765) 11.139 8.177 ( -1.018 -0.970 -5.250) 5.435 8.516 ( 0.408 -3.807 4.998) 6.296 8.963 ( 6.646 -0.731 -2.019) 6.984 9.214 ( -4.397 2.774 7.209) 8.888 9.797 ( 0.359 -5.318 -7.379) 9.103 9.886 ( -8.800 9.957 -8.618) 15.839 10.821 ( 9.150 -18.665 2.718) 20.964 10.930 ( 1.902 2.404 6.894) 7.545 11.266 ( -2.117 5.818 -5.569) 8.327 11.721 ( 9.589 4.580 9.521) 14.268 12.211 ( 0.841 -0.401 3.661) 3.778 12.296 ( -3.018 0.139 4.649) 5.545 12.538 ( -1.100 3.167 -9.651) 10.216 12.765 ( 6.665 -2.875 -3.662) 8.130 12.896 ( 3.328 -6.274 5.453) 8.953 13.357 ( -4.354 0.988 0.782) 4.533 13.621 ( -4.530 0.955 -2.257) 5.151 13.750 ( -3.853 2.105 -3.596) 5.675 13.812 ( -4.374 -1.336 0.139) 4.575 14.069 ( 5.092 -6.168 0.801) 8.038 14.417 ( -4.733 -12.988 -3.509) 14.262 14.848 ( -0.202 -8.687 -3.735) 9.458 15.767 ( -2.141 9.413 -0.804) 9.687 16.224 ( 7.060 5.039 -6.064) 10.583 16.491 ( 6.177 -1.651 6.836) 9.360 16.767 ( -3.250 -0.673 1.316) 3.571 17.322 ( -13.513 -9.358 10.693) 19.609 17.640 ( -2.701 -8.389 -4.969) 10.117 19.087 ( 8.873 22.166 -0.660) 23.885 19.727 ( 4.858 4.591 0.591) 6.710 20.272 ( -3.386 2.102 0.254) 3.993 21.167 ( 11.991 -1.375 -4.349) 12.829 21.863 ( -15.571 -3.810 4.041) 16.532 23.410 ( 9.762 1.366 2.908) 10.277 ======================= Grid point 15 (11/201) ======================= q-point: (-0.25 0.12 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -6.299 25.743 -2.279) 26.601 1.569 ( -7.346 29.092 4.804) 30.387 2.417 ( -6.813 11.410 -0.343) 13.294 2.511 ( 3.247 14.897 1.243) 15.298 2.748 ( -6.358 5.703 -4.386) 9.601 3.391 ( 6.015 -6.175 -1.947) 8.838 3.814 ( 6.311 4.625 -0.222) 7.827 4.067 ( -8.909 -1.136 -3.412) 9.608 4.410 ( 0.249 -11.188 -0.949) 11.231 4.517 ( -0.102 20.052 2.584) 20.219 5.177 ( 6.469 -0.977 -3.877) 7.605 5.236 ( -3.479 -0.399 6.701) 7.561 5.686 ( 4.703 13.722 -5.880) 15.652 5.869 ( 1.913 -1.213 1.136) 2.534 6.039 ( -5.967 -25.468 2.814) 26.309 6.378 ( -0.235 -18.317 2.800) 18.532 7.221 ( 1.086 3.200 -2.905) 4.457 7.547 ( 2.965 2.706 -2.866) 4.933 7.580 ( 1.634 -10.778 -0.282) 10.905 7.696 ( -5.216 2.062 8.926) 10.542 8.194 ( 0.321 -4.635 -4.358) 6.370 8.549 ( 1.162 4.122 4.834) 6.458 8.938 ( -1.037 7.210 -6.694) 9.893 9.262 ( 2.210 -5.065 8.942) 10.512 9.590 ( -3.951 8.925 -11.069) 14.758 9.882 ( 0.303 -6.893 -0.011) 6.900 10.911 ( 1.181 5.178 0.731) 5.361 11.108 ( -2.873 7.604 2.106) 8.398 11.191 ( 6.241 -14.498 -3.048) 16.076 11.785 ( 7.908 5.465 4.985) 10.829 12.186 ( 0.937 4.916 -0.145) 5.006 12.296 ( -2.734 1.982 6.580) 7.396 12.429 ( -0.091 3.012 -3.890) 4.921 12.864 ( 7.872 -2.336 -2.974) 8.733 13.088 ( 6.015 -5.924 6.100) 10.416 13.321 ( -4.798 -4.483 -3.280) 7.341 13.538 ( -5.268 0.468 -0.677) 5.332 13.663 ( -3.060 1.960 -1.149) 3.812 13.803 ( -1.744 -1.719 -0.581) 2.517 14.236 ( 7.099 -6.275 1.335) 9.569 14.533 ( -1.214 -9.138 1.570) 9.351 14.971 ( 1.009 -8.934 -2.245) 9.267 15.613 ( -0.233 8.720 0.590) 8.743 16.178 ( 5.970 5.733 -8.067) 11.558 16.573 ( 3.774 2.764 2.029) 5.099 16.732 ( -2.549 0.923 0.820) 2.832 17.367 ( -11.582 -8.741 8.377) 16.755 17.741 ( 1.419 -9.623 -3.979) 10.509 18.815 ( -0.390 21.222 -0.891) 21.245 19.716 ( 3.592 3.802 -0.831) 5.296 20.203 ( -3.349 1.528 0.410) 3.704 21.329 ( 15.773 -1.402 -5.341) 16.712 21.734 ( -17.393 -2.147 4.865) 18.187 23.529 ( 7.254 0.360 8.128) 10.900 ======================= Grid point 16 (12/201) ======================= q-point: (-0.12 0.12 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -0.000 29.142 -0.000) 29.142 1.071 ( -0.000 34.173 -0.000) 34.173 1.794 ( -0.000 52.314 -0.000) 52.314 2.491 ( 0.000 -0.217 0.000) 0.217 2.664 ( -0.000 0.153 -0.000) 0.153 3.529 ( 0.000 -7.208 0.000) 7.208 3.887 ( -0.000 5.058 -0.000) 5.058 3.926 ( 0.000 -3.037 0.000) 3.037 4.328 ( -0.000 7.830 -0.000) 7.830 4.542 ( 0.000 -7.747 0.000) 7.747 5.211 ( -0.000 3.405 -0.000) 3.405 5.252 ( 0.000 -4.651 0.000) 4.651 5.500 ( -0.000 10.604 -0.000) 10.604 5.833 ( -0.000 6.505 -0.000) 6.505 6.446 ( 0.000 -28.686 0.000) 28.686 6.621 ( 0.000 -13.838 0.000) 13.838 7.187 ( -0.000 1.051 -0.000) 1.051 7.436 ( -0.000 11.107 -0.000) 11.107 7.703 ( 0.000 -6.038 0.000) 6.038 7.824 ( 0.000 -14.655 0.000) 14.655 8.246 ( 0.000 -2.784 0.000) 2.784 8.489 ( -0.000 6.832 -0.000) 6.832 8.737 ( -0.000 11.888 -0.000) 11.888 9.410 ( -0.000 6.460 -0.000) 6.460 9.436 ( 0.000 -8.556 0.000) 8.556 10.003 ( 0.000 -8.242 0.000) 8.242 10.821 ( -0.000 6.078 -0.000) 6.078 10.978 ( -0.000 8.191 -0.000) 8.191 11.370 ( 0.000 -5.720 0.000) 5.720 11.804 ( -0.000 0.352 -0.000) 0.352 12.115 ( -0.000 5.076 -0.000) 5.076 12.235 ( -0.000 5.382 -0.000) 5.382 12.400 ( -0.000 1.383 -0.000) 1.383 12.983 ( 0.000 -5.821 0.000) 5.821 13.216 ( 0.000 -3.234 0.000) 3.234 13.364 ( 0.000 -6.667 0.000) 6.667 13.500 ( 0.000 -0.510 0.000) 0.510 13.615 ( -0.000 1.623 -0.000) 1.623 13.804 ( -0.000 0.370 -0.000) 0.370 14.412 ( 0.000 -7.788 0.000) 7.788 14.680 ( 0.000 -8.298 0.000) 8.298 15.086 ( 0.000 -6.389 0.000) 6.389 15.517 ( -0.000 5.384 -0.000) 5.384 16.122 ( -0.000 4.150 -0.000) 4.150 16.518 ( -0.000 7.414 -0.000) 7.414 16.710 ( -0.000 0.343 -0.000) 0.343 17.413 ( 0.000 -6.091 0.000) 6.091 17.879 ( 0.000 -7.818 0.000) 7.818 18.476 ( -0.000 19.491 -0.000) 19.491 19.685 ( -0.000 2.846 -0.000) 2.846 20.168 ( -0.000 0.460 -0.000) 0.460 21.455 ( -0.000 0.426 -0.000) 0.426 21.637 ( 0.000 -2.113 0.000) 2.113 23.625 ( 0.000 -1.587 0.000) 1.587 ======================= Grid point 19 (13/201) ======================= q-point: ( 0.25 0.25 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 23.019 0.000 12.356) 26.125 1.631 ( 32.901 0.000 -0.459) 32.904 2.547 ( 21.190 0.000 16.315) 26.743 2.858 ( 3.784 0.000 2.709) 4.654 3.044 ( 29.953 0.000 4.605) 30.305 3.178 ( -11.850 -0.000 -6.706) 13.616 3.572 ( -8.503 -0.000 4.677) 9.704 3.713 ( -3.661 -0.000 -1.115) 3.827 4.589 ( -8.949 -0.000 1.349) 9.050 4.798 ( 3.729 0.000 0.984) 3.857 5.003 ( -7.846 -0.000 7.191) 10.643 5.098 ( -10.800 -0.000 -6.128) 12.417 5.534 ( 4.035 0.000 -12.038) 12.696 5.877 ( -5.735 -0.000 -2.451) 6.237 6.497 ( -4.443 -0.000 -13.543) 14.253 6.696 ( -0.527 -0.000 -0.551) 0.763 7.262 ( 9.178 0.000 2.785) 9.591 7.378 ( 4.270 0.000 2.215) 4.810 7.842 ( 2.948 0.000 -6.028) 6.710 7.958 ( -4.266 -0.000 -3.219) 5.344 8.139 ( -0.441 -0.000 -1.152) 1.234 8.315 ( 1.759 0.000 -1.271) 2.170 9.061 ( 2.762 0.000 9.152) 9.559 9.094 ( -7.986 -0.000 -7.885) 11.223 9.424 ( 0.609 0.000 -4.538) 4.578 9.856 ( -9.916 -0.000 8.906) 13.328 9.985 ( -6.736 -0.000 11.773) 13.564 11.053 ( 6.273 0.000 4.365) 7.642 11.251 ( 4.831 0.000 24.847) 25.313 11.392 ( 4.927 0.000 -9.416) 10.627 11.949 ( -4.604 -0.000 9.056) 10.159 12.130 ( 9.735 0.000 -8.540) 12.950 12.143 ( 3.472 0.000 -6.797) 7.632 12.546 ( -0.508 -0.000 4.506) 4.535 13.163 ( -0.375 -0.000 -6.490) 6.501 13.324 ( -2.999 -0.000 4.973) 5.807 13.632 ( -2.169 -0.000 0.854) 2.331 13.660 ( 5.154 0.000 -3.375) 6.160 13.779 ( -0.314 -0.000 3.088) 3.104 13.865 ( 2.561 0.000 -1.030) 2.761 14.401 ( -6.619 -0.000 0.130) 6.621 14.600 ( -13.991 -0.000 -16.893) 21.935 15.674 ( 11.633 0.000 15.442) 19.333 16.389 ( 3.034 0.000 15.475) 15.770 16.421 ( 0.663 0.000 1.442) 1.587 16.616 ( -2.990 -0.000 -11.074) 11.470 17.332 ( -5.550 -0.000 -0.747) 5.600 17.491 ( -17.227 -0.000 5.721) 18.153 19.590 ( 14.869 0.000 -7.588) 16.693 20.141 ( -3.064 -0.000 16.149) 16.437 20.329 ( 4.282 0.000 -2.729) 5.077 21.356 ( 4.909 0.000 3.130) 5.822 21.445 ( -6.420 -0.000 -0.122) 6.421 23.236 ( 23.635 0.000 -29.278) 37.627 ======================= Grid point 20 (14/201) ======================= q-point: ( 0.38 0.25 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 22.590 1.741 7.544) 23.880 2.075 ( 25.297 -8.465 1.021) 26.696 2.709 ( 5.593 6.982 7.159) 11.458 2.924 ( -4.139 3.994 5.298) 7.820 2.967 ( -5.803 -0.608 -3.234) 6.671 3.444 ( 29.096 4.058 3.706) 29.610 3.581 ( -3.460 -8.724 3.869) 10.151 3.729 ( -4.262 -9.593 -0.512) 10.509 4.420 ( -5.603 6.317 -2.838) 8.908 4.753 ( -5.614 12.268 -4.375) 14.183 4.974 ( 0.609 -13.667 2.760) 13.957 5.129 ( -5.782 -9.040 2.476) 11.013 5.474 ( 0.776 8.929 -4.595) 10.072 5.641 ( -3.524 7.475 -1.678) 8.433 6.365 ( -4.125 0.517 -10.824) 11.595 6.860 ( -2.029 -14.689 -0.831) 14.852 7.177 ( 4.711 23.552 1.317) 24.055 7.445 ( 5.554 1.870 1.563) 6.065 7.677 ( -0.543 8.740 -1.078) 8.823 7.979 ( 1.845 0.715 -6.375) 6.675 8.200 ( -3.005 -8.735 -1.307) 9.329 8.309 ( -1.738 1.341 6.924) 7.263 8.927 ( -3.147 3.626 -7.353) 8.782 9.274 ( 3.939 -18.826 -3.842) 19.614 9.464 ( -1.542 -0.596 6.195) 6.412 9.780 ( -4.890 -2.200 4.033) 6.710 10.121 ( -15.140 -18.134 9.561) 25.485 11.090 ( 4.894 6.259 3.065) 8.515 11.381 ( -1.045 -1.093 1.796) 2.348 11.497 ( 11.611 -2.162 13.681) 18.074 11.980 ( -2.282 -4.240 5.120) 7.029 12.167 ( 7.087 -4.182 -10.757) 13.544 12.262 ( 8.302 -5.515 -5.851) 11.557 12.586 ( -1.087 -2.493 5.348) 6.000 13.065 ( -1.881 6.175 -3.867) 7.524 13.407 ( -2.926 -9.580 4.034) 10.799 13.585 ( -2.055 2.624 1.471) 3.643 13.719 ( 5.265 -2.712 -6.120) 8.517 13.788 ( -1.348 -0.995 1.956) 2.576 13.880 ( -0.432 -0.883 -1.146) 1.510 14.229 ( -9.543 6.501 -5.894) 12.964 14.489 ( -8.149 -10.374 -8.529) 15.709 15.905 ( 11.017 -0.552 15.124) 18.719 16.394 ( 1.850 7.545 0.776) 7.807 16.419 ( -1.306 1.183 3.240) 3.688 16.613 ( -1.057 -6.493 -0.412) 6.592 17.249 ( -8.315 1.014 1.843) 8.577 17.380 ( -11.841 -6.103 -0.315) 13.325 19.690 ( 13.758 4.491 -5.311) 15.416 20.091 ( 1.166 12.710 10.925) 16.801 20.353 ( 2.748 0.515 -2.577) 3.803 21.220 ( 2.915 9.752 -0.835) 10.213 21.610 ( -5.504 -13.528 2.971) 14.903 23.343 ( 17.177 0.471 -17.900) 24.813 ======================= Grid point 21 (15/201) ======================= q-point: ( 0.50 0.25 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 18.669 4.143 4.242) 19.588 2.390 ( 12.282 0.193 0.831) 12.312 2.610 ( -1.634 12.079 1.721) 12.310 2.712 ( -5.103 6.350 3.110) 8.719 2.998 ( -4.664 -2.417 1.986) 5.616 3.535 ( 14.226 13.958 -5.211) 20.600 3.753 ( 0.528 -12.500 2.044) 12.677 3.914 ( -1.722 -14.680 3.505) 15.191 4.260 ( -4.952 6.010 -0.556) 7.807 4.561 ( -1.166 0.896 -7.989) 8.123 5.168 ( 3.910 2.331 3.045) 5.476 5.233 ( -0.146 -14.372 3.295) 14.746 5.355 ( -3.274 -0.912 3.624) 4.969 5.615 ( -1.887 -5.952 -2.724) 6.812 6.266 ( -2.255 2.284 -7.263) 7.941 6.717 ( 1.892 36.485 0.538) 36.538 7.035 ( -3.337 -8.695 -2.610) 9.672 7.414 ( 1.504 4.791 0.739) 5.075 7.651 ( 2.342 0.187 -0.640) 2.435 7.937 ( 3.371 4.213 -1.917) 5.726 8.224 ( -6.490 -1.631 -0.222) 6.695 8.334 ( 0.231 -2.060 5.466) 5.845 8.896 ( 2.629 -3.538 -2.357) 4.999 9.409 ( -4.713 6.623 10.199) 13.042 9.552 ( 5.589 -14.751 -15.743) 22.286 9.857 ( -6.625 -9.108 3.245) 11.721 10.263 ( -8.750 -18.477 8.086) 21.985 11.048 ( 3.547 6.523 1.611) 7.597 11.368 ( -0.016 1.387 -2.583) 2.932 11.749 ( 9.362 -2.543 17.826) 20.295 12.065 ( -1.390 -6.395 4.977) 8.222 12.256 ( 4.559 -5.667 -13.107) 14.990 12.416 ( 7.371 -5.929 -5.776) 11.083 12.639 ( -2.065 -3.271 5.247) 6.519 12.935 ( 0.330 6.106 -1.889) 6.400 13.460 ( -7.108 0.847 4.843) 8.642 13.573 ( -0.735 -3.095 1.216) 3.405 13.756 ( 1.135 -1.313 -9.437) 9.596 13.824 ( -0.485 -4.079 -1.681) 4.439 13.888 ( -0.190 -2.681 -0.503) 2.735 14.032 ( -8.969 -2.049 -4.015) 10.038 14.548 ( -3.869 -11.345 -4.787) 12.907 16.005 ( 0.812 6.025 4.084) 7.324 16.359 ( 8.889 3.529 -3.963) 10.352 16.444 ( 2.564 -0.314 10.050) 10.377 16.685 ( -2.367 -4.226 4.204) 6.414 17.152 ( -11.192 -1.731 4.532) 12.199 17.368 ( -6.992 -8.649 -5.027) 12.205 19.702 ( 11.692 11.988 -3.574) 17.123 19.963 ( 3.383 13.422 6.757) 15.403 20.341 ( -0.009 2.071 -1.381) 2.489 21.179 ( 8.366 3.181 -3.326) 9.548 21.687 ( -11.129 -7.707 4.023) 14.122 23.432 ( 11.598 0.379 -8.028) 14.110 ======================= Grid point 22 (16/201) ======================= q-point: (-0.38 0.25 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 6.464 19.762 0.914) 20.812 2.275 ( -1.715 18.057 2.026) 18.251 2.444 ( -1.446 3.678 -0.206) 3.958 2.748 ( 3.639 -0.785 5.761) 6.859 2.946 ( -3.582 1.696 -3.464) 5.264 3.412 ( 4.786 11.238 -3.064) 12.593 3.907 ( 0.684 -2.267 -2.218) 3.244 4.053 ( -0.043 -10.267 -0.509) 10.280 4.145 ( -4.753 3.811 3.264) 6.911 4.689 ( 1.682 -21.482 -5.344) 22.201 5.104 ( 2.153 13.077 4.586) 14.024 5.419 ( -0.112 -3.696 3.952) 5.412 5.440 ( 0.383 -9.265 -1.164) 9.346 5.749 ( -1.246 -16.998 0.777) 17.062 6.134 ( 0.090 10.847 -3.995) 11.560 6.197 ( -0.951 29.346 -0.126) 29.362 7.120 ( -2.345 -10.566 -1.910) 10.990 7.385 ( 1.872 2.833 -1.705) 3.799 7.642 ( 0.317 3.296 1.475) 3.625 7.921 ( 3.256 5.026 2.735) 6.583 8.125 ( -5.044 1.463 -2.814) 5.958 8.443 ( 0.518 -7.649 3.096) 8.268 8.999 ( 4.344 -3.029 -1.276) 5.447 9.311 ( -2.076 7.321 10.152) 12.688 9.682 ( 5.594 -6.332 -15.923) 18.026 9.811 ( -11.814 -0.304 1.954) 11.978 10.595 ( 2.114 -23.531 4.507) 24.052 11.019 ( 1.812 3.172 1.807) 4.075 11.310 ( -0.444 4.469 -2.040) 4.932 11.942 ( 8.594 2.474 9.816) 13.279 12.191 ( -1.749 -7.037 11.783) 13.835 12.283 ( 1.109 -1.327 -6.931) 7.143 12.455 ( -1.345 -0.842 -12.703) 12.801 12.701 ( -0.965 -5.776 1.377) 6.016 12.960 ( 9.344 -2.047 2.147) 9.803 13.341 ( -8.203 4.528 2.705) 9.752 13.574 ( -2.637 1.385 -0.999) 3.142 13.720 ( 0.129 -1.643 -6.969) 7.161 13.765 ( -4.119 3.945 1.594) 5.922 14.008 ( 2.532 -9.397 0.062) 9.732 14.092 ( -4.564 -15.525 -3.486) 16.553 14.666 ( -1.201 -11.348 -2.703) 11.727 15.881 ( -1.336 8.957 -0.305) 9.061 16.350 ( 4.622 5.367 -3.308) 7.818 16.575 ( 4.988 -1.438 5.148) 7.311 16.734 ( -0.309 -1.199 3.684) 3.886 17.117 ( -9.737 -6.942 7.178) 13.947 17.417 ( -3.422 -10.788 -5.531) 12.596 19.542 ( 6.770 22.667 -0.653) 23.665 19.876 ( 3.365 7.605 1.870) 8.523 20.281 ( -1.815 3.428 -0.278) 3.888 21.276 ( 13.524 -1.412 -4.902) 14.454 21.637 ( -15.246 -3.960 4.813) 16.471 23.515 ( 6.412 -0.702 -1.336) 6.587 ======================= Grid point 23 (17/201) ======================= q-point: (-0.25 0.25 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -0.000 27.446 -0.000) 27.446 1.944 ( -0.000 24.987 -0.000) 24.987 2.431 ( -0.000 0.216 -0.000) 0.216 2.750 ( -0.000 4.497 -0.000) 4.497 2.822 ( -0.000 12.617 -0.000) 12.617 3.353 ( 0.000 -0.894 0.000) 0.894 3.891 ( -0.000 1.131 -0.000) 1.131 4.044 ( -0.000 5.510 -0.000) 5.510 4.242 ( 0.000 -12.423 0.000) 12.423 4.858 ( -0.000 23.032 -0.000) 23.032 5.024 ( 0.000 -19.865 0.000) 19.865 5.340 ( -0.000 10.779 -0.000) 10.779 5.638 ( 0.000 -18.285 0.000) 18.285 5.911 ( -0.000 3.402 -0.000) 3.402 5.933 ( -0.000 15.129 -0.000) 15.129 6.082 ( 0.000 -20.616 0.000) 20.616 7.245 ( 0.000 -3.627 0.000) 3.627 7.385 ( 0.000 -7.319 0.000) 7.319 7.594 ( -0.000 3.340 -0.000) 3.340 7.834 ( -0.000 10.171 -0.000) 10.171 8.112 ( 0.000 -4.029 0.000) 4.029 8.559 ( 0.000 -4.981 0.000) 4.981 9.011 ( -0.000 3.979 -0.000) 3.979 9.272 ( -0.000 1.133 -0.000) 1.133 9.643 ( -0.000 6.388 -0.000) 6.388 9.790 ( 0.000 -4.932 0.000) 4.932 10.956 ( 0.000 -20.736 0.000) 20.736 10.992 ( -0.000 3.587 -0.000) 3.587 11.212 ( -0.000 7.234 -0.000) 7.234 11.946 ( -0.000 7.007 -0.000) 7.007 12.259 ( -0.000 3.303 -0.000) 3.303 12.307 ( 0.000 -1.653 0.000) 1.653 12.396 ( 0.000 -2.515 0.000) 2.515 12.804 ( 0.000 -7.731 0.000) 7.731 13.137 ( 0.000 -7.462 0.000) 7.462 13.202 ( -0.000 4.119 -0.000) 4.119 13.514 ( -0.000 1.938 -0.000) 1.938 13.683 ( -0.000 3.433 -0.000) 3.433 13.750 ( 0.000 -3.289 0.000) 3.289 14.159 ( 0.000 -8.454 0.000) 8.454 14.301 ( 0.000 -17.366 0.000) 17.366 14.819 ( 0.000 -11.024 0.000) 11.024 15.739 ( -0.000 9.004 -0.000) 9.004 16.282 ( -0.000 6.167 -0.000) 6.167 16.627 ( -0.000 0.010 -0.000) 0.010 16.734 ( -0.000 1.316 -0.000) 1.316 17.200 ( 0.000 -8.251 0.000) 8.251 17.558 ( 0.000 -12.746 0.000) 12.746 19.208 ( -0.000 27.229 -0.000) 27.229 19.809 ( -0.000 5.532 -0.000) 5.532 20.218 ( -0.000 3.004 -0.000) 3.004 21.422 ( 0.000 -2.787 0.000) 2.787 21.561 ( 0.000 -2.582 0.000) 2.582 23.573 ( 0.000 -1.706 0.000) 1.706 ======================= Grid point 28 (18/201) ======================= q-point: ( 0.38 0.38 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 17.457 0.000 9.449) 19.850 2.307 ( 24.241 0.000 0.128) 24.242 2.825 ( -11.674 -0.000 -5.165) 12.765 2.859 ( 1.017 0.000 6.370) 6.451 2.949 ( 0.786 0.000 2.428) 2.552 3.461 ( -3.430 -0.000 1.991) 3.967 3.606 ( -3.016 -0.000 -2.638) 4.007 3.903 ( 28.916 0.000 7.490) 29.870 4.373 ( -8.204 -0.000 -1.187) 8.289 4.813 ( -7.796 -0.000 -4.358) 8.931 4.886 ( 3.077 0.000 0.015) 3.077 4.952 ( -2.669 -0.000 4.494) 5.227 5.471 ( 0.481 0.000 -7.706) 7.721 5.675 ( -9.787 -0.000 1.550) 9.909 6.292 ( -1.864 -0.000 -10.875) 11.034 6.672 ( -0.964 -0.000 -0.148) 0.976 7.439 ( 2.732 0.000 2.687) 3.832 7.553 ( 9.398 0.000 -0.747) 9.428 7.831 ( -1.742 -0.000 0.758) 1.900 7.873 ( -0.077 -0.000 -2.598) 2.599 8.057 ( -5.433 -0.000 -0.113) 5.434 8.346 ( 0.332 0.000 3.360) 3.376 8.872 ( -3.028 -0.000 -8.933) 9.432 9.144 ( 5.993 0.000 -8.133) 10.102 9.463 ( -1.158 -0.000 8.296) 8.377 9.726 ( -8.843 -0.000 8.043) 11.954 9.925 ( -6.367 -0.000 7.145) 9.570 11.213 ( 3.124 0.000 3.619) 4.781 11.366 ( -0.469 -0.000 0.250) 0.532 11.685 ( 8.367 0.000 17.759) 19.631 11.948 ( -0.871 -0.000 1.939) 2.126 12.130 ( 7.250 0.000 -18.539) 19.906 12.318 ( 9.653 0.000 -1.251) 9.734 12.602 ( 1.260 0.000 5.303) 5.451 13.064 ( -4.934 -0.000 -1.201) 5.078 13.345 ( -0.601 -0.000 6.374) 6.402 13.583 ( -1.642 -0.000 0.837) 1.843 13.714 ( 4.922 0.000 -9.772) 10.942 13.768 ( -4.342 -0.000 2.246) 4.889 13.856 ( -2.125 -0.000 1.954) 2.887 14.163 ( -7.397 -0.000 -13.187) 15.120 14.275 ( -4.642 -0.000 0.601) 4.681 16.088 ( 5.361 0.000 10.432) 11.729 16.406 ( 2.481 0.000 -2.376) 3.435 16.501 ( 0.057 0.000 3.330) 3.330 16.573 ( 2.086 0.000 7.279) 7.572 17.154 ( -13.146 -0.000 -4.240) 13.813 17.214 ( -3.613 -0.000 -0.357) 3.631 19.834 ( 9.451 0.000 -2.291) 9.725 20.229 ( -0.404 -0.000 6.860) 6.872 20.372 ( 1.978 0.000 -2.281) 3.019 21.319 ( -4.021 -0.000 0.092) 4.022 21.489 ( 3.911 0.000 1.225) 4.098 23.437 ( 12.332 0.000 -12.317) 17.430 ======================= Grid point 29 (19/201) ======================= q-point: ( 0.50 0.38 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 15.256 1.843 5.983) 16.491 2.552 ( 13.455 0.770 0.136) 13.478 2.647 ( -10.965 3.268 -2.933) 11.812 2.823 ( 1.626 7.292 1.836) 7.693 2.922 ( -6.002 1.166 2.209) 6.500 3.555 ( 0.757 -12.805 0.458) 12.836 3.636 ( -1.369 -8.427 -1.193) 8.620 4.049 ( 13.958 17.822 0.076) 22.637 4.266 ( -5.476 2.899 1.910) 6.484 4.603 ( -2.961 10.296 -2.706) 11.050 5.016 ( 0.980 -12.095 1.193) 12.193 5.087 ( -0.407 -13.076 1.343) 13.151 5.421 ( -0.810 4.106 -3.099) 5.208 5.554 ( -3.051 1.381 1.482) 3.662 6.209 ( -1.441 0.110 -5.117) 5.317 6.808 ( -1.260 -14.432 -0.649) 14.501 7.259 ( 1.553 28.025 0.319) 28.070 7.560 ( 3.222 11.421 -0.704) 11.888 7.676 ( -0.558 2.263 1.913) 3.016 7.975 ( 2.117 -2.271 -2.483) 3.975 8.088 ( -4.499 -8.504 -0.201) 9.623 8.359 ( 0.007 0.883 4.621) 4.704 8.822 ( 0.022 -4.028 -5.212) 6.587 9.283 ( 4.426 -13.960 -8.383) 16.875 9.503 ( -3.625 1.231 7.925) 8.801 9.717 ( -3.189 -5.038 2.589) 6.500 9.969 ( -4.608 -11.886 4.441) 13.499 11.190 ( 1.429 7.099 1.472) 7.389 11.370 ( 0.020 -0.121 -0.744) 0.754 11.883 ( 3.205 -4.028 19.274) 19.949 11.985 ( -0.411 -4.864 0.933) 4.970 12.146 ( 7.008 -4.373 -19.934) 21.578 12.420 ( 4.576 -1.383 -0.633) 4.822 12.648 ( 1.818 0.548 3.918) 4.354 12.979 ( -3.507 1.779 0.569) 3.974 13.392 ( -2.025 -1.628 3.274) 4.180 13.588 ( 1.303 -0.163 3.131) 3.396 13.706 ( 1.415 -0.053 -8.714) 8.828 13.720 ( -5.381 -2.477 -0.847) 5.984 13.868 ( 0.552 -2.248 0.663) 2.408 13.976 ( -4.316 6.790 -3.461) 8.759 14.333 ( -2.146 -10.392 -1.648) 10.738 16.087 ( -2.217 4.118 0.664) 4.724 16.460 ( 6.040 1.705 -5.905) 8.617 16.553 ( 4.944 1.021 12.611) 13.584 16.657 ( 1.452 -3.352 8.532) 9.281 16.989 ( -11.817 -2.451 -7.087) 13.996 17.202 ( -2.276 -3.151 -1.582) 4.196 19.885 ( 5.181 3.521 -1.107) 6.362 20.190 ( 0.590 8.548 3.478) 9.247 20.366 ( 0.502 1.733 -1.153) 2.141 21.275 ( 2.241 0.912 -1.412) 2.801 21.543 ( -2.364 -1.822 1.820) 3.496 23.499 ( 6.282 -0.355 -5.373) 8.273 ======================= Grid point 30 (20/201) ======================= q-point: (-0.38 0.38 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -0.000 15.927 -0.000) 15.927 2.451 ( -0.000 1.419 -0.000) 1.419 2.521 ( -0.000 12.807 -0.000) 12.807 2.785 ( -0.000 1.288 -0.000) 1.288 2.890 ( 0.000 -2.891 0.000) 2.891 3.658 ( -0.000 13.321 -0.000) 13.321 3.778 ( 0.000 -14.218 0.000) 14.218 3.932 ( 0.000 -2.861 0.000) 2.861 4.189 ( -0.000 3.975 -0.000) 3.975 4.492 ( 0.000 -1.582 0.000) 1.582 5.250 ( 0.000 -16.302 0.000) 16.302 5.277 ( 0.000 -11.554 0.000) 11.554 5.306 ( -0.000 8.761 -0.000) 8.761 5.581 ( 0.000 -5.644 0.000) 5.644 6.196 ( -0.000 0.592 -0.000) 0.592 6.743 ( -0.000 40.027 -0.000) 40.027 6.970 ( 0.000 -8.692 0.000) 8.692 7.439 ( -0.000 4.894 -0.000) 4.894 7.678 ( -0.000 0.608 -0.000) 0.608 8.006 ( -0.000 0.334 -0.000) 0.334 8.094 ( -0.000 1.495 -0.000) 1.495 8.378 ( 0.000 -2.494 0.000) 2.494 8.933 ( 0.000 -8.905 0.000) 8.905 9.436 ( -0.000 6.535 -0.000) 6.535 9.513 ( 0.000 -15.418 0.000) 15.418 9.731 ( 0.000 -0.276 0.000) 0.276 10.251 ( 0.000 -24.821 0.000) 24.821 11.099 ( -0.000 6.061 -0.000) 6.061 11.353 ( -0.000 2.157 -0.000) 2.157 12.030 ( 0.000 -2.776 0.000) 2.776 12.100 ( 0.000 -9.669 0.000) 9.669 12.189 ( 0.000 -4.748 0.000) 4.748 12.431 ( -0.000 1.798 -0.000) 1.798 12.656 ( 0.000 -0.172 0.000) 0.172 12.984 ( 0.000 -2.734 0.000) 2.734 13.355 ( -0.000 3.844 -0.000) 3.844 13.610 ( -0.000 3.403 -0.000) 3.403 13.662 ( 0.000 -1.703 0.000) 1.703 13.797 ( 0.000 -9.566 0.000) 9.566 13.838 ( -0.000 3.765 -0.000) 3.765 13.946 ( 0.000 -5.820 0.000) 5.820 14.481 ( 0.000 -11.664 0.000) 11.664 15.990 ( -0.000 7.047 -0.000) 7.047 16.436 ( -0.000 3.715 -0.000) 3.715 16.600 ( 0.000 -0.201 0.000) 0.201 16.770 ( -0.000 0.558 -0.000) 0.558 16.945 ( 0.000 -8.636 0.000) 8.636 17.249 ( 0.000 -6.636 0.000) 6.636 19.822 ( -0.000 10.180 -0.000) 10.180 20.047 ( -0.000 11.933 -0.000) 11.933 20.324 ( -0.000 3.505 -0.000) 3.505 21.322 ( 0.000 -3.189 0.000) 3.189 21.522 ( -0.000 0.303 -0.000) 0.303 23.533 ( 0.000 -0.999 0.000) 0.999 ======================= Grid point 38 (21/201) ======================= q-point: (-0.50 -0.50 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 113 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -0.000 -0.000 -0.000) 0.000 2.524 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.829 ( -0.000 -0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 4.257 ( -0.000 -0.000 0.000) 0.000 4.323 ( 0.000 0.000 -0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.935 ( -0.000 -0.000 0.000) 0.000 4.940 ( 0.000 0.000 -0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.546 ( 0.000 0.000 -0.000) 0.000 6.198 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 7.483 ( 0.000 0.000 -0.000) 0.000 7.695 ( 0.000 0.000 -0.000) 0.000 7.786 ( 0.000 0.000 0.000) 0.000 7.880 ( 0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 8.385 ( 0.000 0.000 0.000) 0.000 8.778 ( 0.000 0.000 0.000) 0.000 9.182 ( -0.000 -0.000 0.000) 0.000 9.486 ( 0.000 0.000 -0.000) 0.000 9.664 ( 0.000 0.000 -0.000) 0.000 9.884 ( 0.000 0.000 0.000) 0.000 11.269 ( 0.000 0.000 0.000) 0.000 11.361 ( 0.000 0.000 0.000) 0.000 11.912 ( 0.000 0.000 -0.000) 0.000 11.948 ( 0.000 0.000 0.000) 0.000 12.103 ( 0.000 0.000 0.000) 0.000 12.444 ( 0.000 0.000 0.000) 0.000 12.689 ( 0.000 0.000 0.000) 0.000 12.950 ( 0.000 0.000 0.000) 0.000 13.393 ( 0.000 0.000 0.000) 0.000 13.604 ( 0.000 0.000 0.000) 0.000 13.657 ( 0.000 0.000 0.000) 0.000 13.695 ( 0.000 0.000 0.000) 0.000 13.849 ( 0.000 0.000 0.000) 0.000 14.022 ( 0.000 0.000 0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 16.100 ( 0.000 0.000 0.000) 0.000 16.489 ( 0.000 0.000 0.000) 0.000 16.638 ( 0.000 0.000 0.000) 0.000 16.766 ( -0.000 -0.000 -0.000) 0.000 16.769 ( 0.000 0.000 0.000) 0.000 17.169 ( -0.000 -0.000 0.000) 0.000 19.937 ( 0.000 0.000 0.000) 0.000 20.263 ( 0.000 0.000 0.000) 0.000 20.381 ( -0.000 -0.000 0.000) 0.000 21.271 ( 0.000 0.000 0.000) 0.000 21.544 ( 0.000 0.000 0.000) 0.000 23.517 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 67 (22/201) ======================= q-point: ( 0.00 0.00 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 2.525 0.000 33.951) 34.045 0.728 ( -5.320 -0.000 36.559) 36.944 1.171 ( -18.697 -0.000 59.102) 61.989 2.512 ( 2.896 0.000 1.079) 3.090 2.690 ( 1.469 0.000 1.196) 1.894 3.490 ( -0.405 -0.000 -12.430) 12.437 3.785 ( 1.483 0.000 1.087) 1.839 3.873 ( 0.620 0.000 6.573) 6.602 4.226 ( 34.196 0.000 1.801) 34.243 4.728 ( -1.465 -0.000 5.683) 5.869 5.219 ( 8.757 0.000 -6.408) 10.851 5.265 ( -8.995 -0.000 -5.836) 10.722 5.479 ( -4.907 -0.000 -1.255) 5.065 5.614 ( -15.422 -0.000 12.721) 19.991 6.683 ( 0.482 0.000 -2.087) 2.142 6.868 ( -3.409 -0.000 -0.847) 3.513 6.976 ( -1.961 -0.000 4.384) 4.803 7.297 ( -1.941 -0.000 5.338) 5.680 7.944 ( -7.785 -0.000 10.025) 12.692 7.972 ( 5.189 0.000 -5.704) 7.711 8.201 ( -3.344 -0.000 -9.949) 10.496 8.779 ( 8.665 0.000 13.798) 16.293 9.065 ( -18.743 -0.000 7.558) 20.209 9.360 ( 3.568 0.000 -12.570) 13.067 9.492 ( -2.246 -0.000 -7.429) 7.761 9.938 ( 8.308 0.000 3.584) 9.048 10.170 ( -2.440 -0.000 3.335) 4.132 10.880 ( -1.673 -0.000 5.944) 6.175 11.303 ( -1.617 -0.000 -9.347) 9.486 11.654 ( 12.803 0.000 -17.440) 21.635 12.000 ( 0.958 0.000 -5.154) 5.242 12.202 ( -3.843 -0.000 1.662) 4.187 12.540 ( -12.124 -0.000 16.739) 20.669 13.140 ( -4.632 -0.000 -6.823) 8.247 13.408 ( -0.956 -0.000 -6.724) 6.791 13.463 ( 7.142 0.000 -0.003) 7.142 13.463 ( -13.455 -0.000 4.971) 14.344 13.671 ( -0.406 -0.000 2.947) 2.975 13.706 ( -8.255 -0.000 -1.271) 8.353 14.168 ( -64.949 -0.000 10.288) 65.759 14.653 ( 0.171 0.000 -2.201) 2.207 15.223 ( 3.311 0.000 4.737) 5.780 15.302 ( -7.489 -0.000 -11.480) 13.707 15.936 ( 58.486 0.000 9.204) 59.205 16.394 ( -0.988 -0.000 -0.418) 1.073 16.690 ( -1.005 -0.000 -2.002) 2.240 17.513 ( -4.787 -0.000 -0.748) 4.845 17.964 ( 9.538 0.000 -2.976) 9.991 19.265 ( -12.028 -0.000 -2.681) 12.323 20.215 ( -2.092 -0.000 4.621) 5.073 20.525 ( 82.061 0.000 -8.504) 82.500 21.211 ( 1.313 0.000 4.358) 4.551 21.648 ( 2.037 0.000 -2.381) 3.134 22.565 (-138.562 -0.000 -3.109) 138.597 ======================= Grid point 68 (23/201) ======================= q-point: ( 0.12 0.00 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -1.972 -7.506 29.654) 30.652 0.990 ( 11.451 -10.085 25.030) 29.314 1.790 ( 13.142 -30.639 39.705) 51.846 2.575 ( 4.910 -0.326 3.536) 6.060 2.726 ( 4.065 -0.037 2.296) 4.669 3.410 ( -2.859 -0.349 -12.198) 12.534 3.755 ( -1.465 2.110 4.754) 5.403 3.978 ( -0.067 -7.735 0.126) 7.736 4.491 ( 23.275 17.210 -6.546) 29.678 4.730 ( 1.712 3.420 6.474) 7.520 5.099 ( -5.485 4.095 -8.151) 10.644 5.304 ( -0.513 -4.923 3.872) 6.284 5.421 ( 1.202 -3.110 -1.147) 3.526 5.616 ( -11.298 -10.689 3.273) 15.894 6.592 ( -1.481 7.437 -5.650) 9.456 6.859 ( 3.080 12.327 0.978) 12.744 7.021 ( -5.284 -15.018 -1.925) 16.036 7.283 ( 1.122 2.419 4.451) 5.189 7.775 ( -4.957 11.512 3.814) 13.102 8.045 ( -0.972 7.515 -2.965) 8.137 8.128 ( 1.163 -10.380 -5.863) 11.978 8.770 ( -13.405 12.084 23.441) 29.584 9.065 ( 6.277 -6.527 19.471) 21.474 9.169 ( -3.508 2.679 -10.719) 11.592 9.610 ( -2.959 -9.136 -2.880) 10.026 9.969 ( -3.497 3.484 -2.065) 5.351 10.384 ( 13.300 -17.117 -7.963) 23.093 10.910 ( -0.618 -2.663 1.104) 2.948 11.305 ( -1.663 -8.831 -11.252) 14.400 11.729 ( 9.458 -1.140 -10.223) 13.973 11.928 ( -5.671 4.307 -1.414) 7.260 12.144 ( -3.272 1.750 -0.752) 3.786 12.467 ( -23.697 -5.547 22.807) 33.354 12.922 ( -21.641 -2.082 2.634) 21.900 13.132 ( -9.158 4.082 -1.502) 10.138 13.448 ( 0.743 -7.570 -6.605) 10.074 13.541 ( 3.933 -1.193 2.116) 4.623 13.657 ( -0.864 1.582 6.748) 6.984 13.804 ( -1.111 -8.175 -0.989) 8.309 13.944 ( -19.131 -10.020 14.483) 26.003 14.579 ( -3.743 4.733 -2.352) 6.476 15.110 ( -12.410 -1.408 -9.064) 15.432 15.347 ( 7.601 -3.534 4.736) 9.628 16.274 ( 8.693 4.464 5.001) 10.978 16.462 ( 3.198 -6.331 2.165) 7.416 16.663 ( -0.380 0.513 -3.872) 3.924 17.443 ( -1.667 1.988 -4.520) 5.212 17.973 ( 2.180 5.590 1.130) 6.106 19.050 ( -2.888 10.936 0.109) 11.312 20.164 ( 7.677 29.668 14.106) 33.736 20.275 ( -2.513 16.876 16.014) 23.400 21.416 ( -9.150 -0.560 2.186) 9.424 21.682 ( 12.146 0.576 -4.225) 12.873 22.358 ( -17.242 -59.331 -28.662) 68.110 ======================= Grid point 69 (24/201) ======================= q-point: ( 0.25 0.00 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 7.046 -15.946 12.308) 21.340 1.434 ( 15.195 -13.740 14.303) 24.985 2.454 ( 12.618 -11.645 16.417) 23.755 2.615 ( 2.484 4.268 4.645) 6.779 2.886 ( 7.060 -9.273 9.027) 14.742 3.314 ( -4.054 -0.041 -7.328) 8.374 3.774 ( -1.180 -2.661 6.646) 7.255 4.085 ( 0.591 -9.453 -6.858) 11.694 4.386 ( 2.389 9.919 3.047) 10.647 4.687 ( -3.534 7.278 7.642) 11.129 4.966 ( 1.651 1.772 -9.960) 10.250 5.350 ( -5.655 -1.298 10.876) 12.327 5.580 ( 4.503 -12.502 -3.524) 13.747 5.657 ( -8.471 -9.374 -0.048) 12.635 6.415 ( -2.698 10.498 -3.184) 11.297 6.591 ( 1.921 27.181 4.745) 27.659 7.170 ( -4.029 -13.830 -5.534) 15.431 7.336 ( 4.375 -2.159 3.498) 6.003 7.561 ( -2.628 10.692 -4.378) 11.849 7.905 ( -1.173 6.798 2.653) 7.391 8.291 ( 2.967 -9.897 -3.486) 10.904 8.576 ( -10.073 11.598 16.675) 22.672 9.028 ( -5.460 2.113 -5.470) 8.013 9.302 ( 6.802 3.036 12.146) 14.248 9.702 ( -6.516 -11.762 0.453) 13.454 9.916 ( -1.213 -3.899 5.166) 6.585 10.643 ( 12.402 -1.848 -10.838) 16.574 10.969 ( -0.978 -6.720 -0.216) 6.794 11.350 ( -4.554 -8.692 -12.625) 15.991 11.626 ( -9.549 11.760 14.181) 20.750 11.917 ( 8.570 -6.367 -13.881) 17.512 12.087 ( 1.973 1.933 -7.911) 8.380 12.470 ( -15.896 -11.695 16.284) 25.586 12.836 ( -5.360 -3.109 -0.437) 6.212 12.966 ( -3.910 6.671 -4.292) 8.844 13.556 ( 4.940 -0.173 1.871) 5.285 13.617 ( 2.186 -2.391 1.233) 3.466 13.649 ( -1.494 -2.726 0.209) 3.115 13.870 ( 0.617 -1.614 1.341) 2.188 14.023 ( -12.411 -15.209 9.408) 21.769 14.434 ( -5.127 4.617 -3.103) 7.565 14.972 ( -11.461 -4.071 -5.863) 13.502 15.548 ( 10.571 -4.681 5.475) 12.792 16.272 ( -0.572 3.124 2.798) 4.232 16.501 ( -4.473 2.442 -1.031) 5.200 16.692 ( 4.237 -3.874 -0.091) 5.742 17.374 ( 3.401 3.931 -8.311) 9.803 17.899 ( -2.650 4.995 3.810) 6.818 18.946 ( 4.650 5.660 0.914) 7.381 19.912 ( -0.870 16.351 16.163) 23.007 20.274 ( 0.748 -0.508 4.875) 4.958 21.280 ( -13.669 0.618 3.286) 14.072 21.828 ( 14.533 -0.531 -4.247) 15.150 22.753 ( 1.854 -27.500 -25.655) 37.655 ======================= Grid point 70 (25/201) ======================= q-point: ( 0.38 0.00 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 5.379 -11.267 4.470) 13.261 1.892 ( 16.550 -15.245 7.040) 23.577 2.509 ( -3.769 7.920 4.003) 9.641 2.670 ( 8.077 5.136 0.994) 9.623 3.092 ( 0.872 -1.900 6.620) 6.942 3.262 ( -4.604 -2.518 1.654) 5.502 3.878 ( 1.226 -6.401 3.991) 7.642 4.158 ( -0.851 -4.009 -8.501) 9.437 4.290 ( 0.121 7.580 -2.937) 8.130 4.662 ( -6.193 -6.843 12.943) 15.897 4.994 ( 2.821 -7.190 0.816) 7.766 5.327 ( -1.449 4.951 4.911) 7.123 5.676 ( -6.288 -6.094 -1.512) 8.886 5.837 ( -0.053 -16.746 4.877) 17.442 6.097 ( -0.454 27.643 0.894) 27.661 6.310 ( -3.041 12.474 4.987) 13.774 7.243 ( -1.357 -2.373 -4.501) 5.266 7.384 ( -4.546 -1.334 -5.634) 7.361 7.482 ( 6.992 -3.910 -0.741) 8.046 7.855 ( 0.992 4.335 8.065) 9.210 8.367 ( -5.954 7.087 3.455) 9.880 8.450 ( 0.159 -5.212 4.136) 6.656 8.918 ( -3.890 2.377 -1.809) 4.905 9.287 ( 5.313 10.676 2.767) 12.241 9.739 ( -4.447 -6.688 -6.469) 10.313 10.137 ( -1.532 -13.560 13.091) 18.910 10.614 ( 3.183 8.950 -8.986) 13.076 10.991 ( -6.619 1.128 5.447) 8.646 11.304 ( -2.292 -4.710 -10.570) 11.797 11.564 ( 2.316 4.083 13.064) 13.882 12.022 ( 6.058 -1.663 -13.827) 15.187 12.070 ( 9.716 -2.010 -12.814) 16.206 12.581 ( -8.671 -11.172 10.136) 17.399 12.795 ( -0.172 5.465 -5.789) 7.963 12.853 ( -4.411 -2.490 3.496) 6.154 13.510 ( -0.562 8.246 4.610) 9.463 13.673 ( 1.006 -2.432 -1.622) 3.092 13.748 ( 2.557 -6.065 -1.260) 6.701 13.905 ( -0.159 -1.530 3.878) 4.172 14.108 ( -8.936 -2.351 9.105) 12.973 14.365 ( -3.815 -8.583 -4.705) 10.505 14.888 ( -8.315 -3.388 -3.727) 9.722 15.746 ( 8.971 -2.167 1.352) 9.327 16.194 ( -4.459 4.336 -2.643) 6.758 16.398 ( -0.841 3.235 0.202) 3.348 16.793 ( 1.991 -2.884 2.876) 4.533 17.324 ( 7.964 4.419 -10.858) 14.172 17.824 ( -3.367 3.499 4.730) 6.779 18.967 ( 3.227 0.030 2.304) 3.965 19.797 ( -2.664 7.507 10.730) 13.363 20.325 ( 0.816 -1.522 4.287) 4.622 21.136 ( -10.225 1.469 1.834) 10.491 21.960 ( 10.675 0.185 -3.771) 11.323 22.987 ( 4.415 -15.929 -14.831) 22.208 ======================= Grid point 71 (26/201) ======================= q-point: (-0.50 0.00 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -0.901 0.137 2.467) 2.630 2.275 ( 1.070 -1.651 4.785) 5.174 2.334 ( 0.676 2.307 2.816) 3.702 2.652 ( 4.673 2.550 -0.619) 5.359 3.056 ( -3.271 3.113 -2.061) 4.964 3.254 ( -8.829 0.832 7.786) 11.801 3.907 ( -2.619 4.269 -3.912) 6.355 4.162 ( 2.538 7.719 -7.759) 11.235 4.193 ( -0.562 -9.764 1.473) 9.890 4.744 ( -0.760 -1.097 5.328) 5.492 5.188 ( -2.846 6.733 5.282) 9.019 5.270 ( 1.071 -9.694 7.064) 12.042 5.581 ( -2.235 12.601 3.601) 13.295 5.829 ( -0.264 2.662 -1.905) 3.285 6.130 ( -1.646 -17.214 7.635) 18.903 6.174 ( -3.696 1.664 4.762) 6.254 7.178 ( 2.361 4.955 -6.213) 8.290 7.387 ( -3.098 -6.301 -4.796) 8.503 7.605 ( 1.675 -4.597 0.636) 4.934 7.868 ( 1.533 3.688 10.584) 11.312 8.240 ( -4.902 1.315 2.285) 5.566 8.555 ( 1.586 -2.525 6.696) 7.330 8.852 ( -0.665 2.090 -1.960) 2.942 9.218 ( 5.476 4.886 -4.113) 8.413 9.764 ( -2.732 -7.046 -6.183) 9.764 10.126 ( -13.214 11.801 1.782) 17.806 10.554 ( 9.542 -0.031 -4.509) 10.554 10.973 ( -0.096 -0.291 8.174) 8.180 11.304 ( -2.552 -2.646 -3.996) 5.430 11.597 ( 6.701 6.601 7.210) 11.852 12.023 ( 7.167 1.216 -9.565) 12.014 12.151 ( 9.169 -1.577 -15.674) 18.227 12.602 ( -2.655 2.421 -1.273) 3.813 12.762 ( -5.214 -3.171 8.620) 10.561 12.907 ( 0.513 -6.018 2.486) 6.532 13.411 ( -0.584 5.492 1.215) 5.655 13.681 ( -1.310 -0.665 -3.514) 3.809 13.814 ( -1.862 -2.229 0.055) 2.905 13.959 ( -2.691 -2.056 4.735) 5.821 14.044 ( -3.059 1.625 8.216) 8.916 14.480 ( -2.412 -9.870 -1.395) 10.256 14.844 ( -2.889 -3.087 -3.015) 5.193 15.765 ( 0.798 5.908 -5.731) 8.269 16.057 ( -1.109 4.441 -7.616) 8.886 16.422 ( 4.905 0.362 5.628) 7.474 16.843 ( -1.894 -1.417 3.291) 4.053 17.323 ( 12.771 3.511 -11.241) 17.373 17.765 ( -2.941 3.016 4.053) 5.846 19.025 ( -3.024 -4.291 5.816) 7.835 19.732 ( -3.111 3.980 7.686) 9.197 20.370 ( -2.078 -1.563 5.119) 5.741 21.039 ( -3.950 0.292 -0.359) 3.977 22.016 ( 5.419 2.541 -3.413) 6.890 23.189 ( 5.194 -11.930 -5.107) 13.978 ======================= Grid point 72 (27/201) ======================= q-point: (-0.38 0.00 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -9.991 13.208 3.791) 16.990 1.990 ( -17.033 15.191 6.102) 23.625 2.426 ( 1.321 1.058 1.611) 2.336 2.727 ( -2.691 2.907 2.278) 4.570 2.965 ( -14.643 4.102 5.418) 16.143 3.092 ( 5.221 3.087 -5.454) 8.157 3.786 ( -2.275 4.420 0.484) 4.995 4.026 ( 4.404 7.918 -9.085) 12.831 4.381 ( -1.052 -12.675 -3.003) 13.068 4.704 ( -5.190 7.601 9.780) 13.430 5.051 ( 2.027 4.786 2.636) 5.828 5.373 ( -3.078 1.328 7.344) 8.073 5.449 ( 6.768 11.998 -3.434) 14.197 5.875 ( -0.691 -6.174 4.218) 7.510 6.260 ( -6.298 -18.309 5.657) 20.171 6.394 ( -0.205 -14.477 1.498) 14.555 7.120 ( 3.515 3.256 -3.823) 6.129 7.405 ( 1.552 0.398 -4.070) 4.374 7.664 ( -2.847 -3.826 2.678) 5.469 7.885 ( -1.326 -1.266 4.195) 4.578 8.266 ( -2.255 -5.768 9.625) 11.446 8.604 ( -0.355 3.727 9.368) 10.089 8.817 ( 2.520 1.552 -6.364) 7.018 9.252 ( 4.520 -4.767 -5.405) 8.507 9.699 ( -12.041 10.756 -0.234) 16.147 9.878 ( 1.265 -0.625 2.096) 2.527 10.598 ( 11.846 5.505 -18.616) 22.741 11.012 ( 1.337 3.079 3.090) 4.562 11.333 ( -0.290 -4.969 8.247) 9.632 11.613 ( 7.985 6.612 2.503) 10.665 12.047 ( 7.235 2.734 -1.829) 7.947 12.135 ( 5.321 2.607 -17.094) 18.092 12.545 ( 1.107 2.846 1.426) 3.371 12.765 ( -3.742 2.251 9.743) 10.677 13.047 ( 2.814 -7.267 1.866) 8.014 13.363 ( -1.223 -0.461 -1.501) 1.990 13.631 ( -2.247 1.163 -4.466) 5.133 13.787 ( -4.742 0.930 3.054) 5.716 13.922 ( -6.413 0.087 5.532) 8.470 14.122 ( 3.180 -2.199 5.956) 7.101 14.532 ( 2.093 0.711 0.441) 2.254 14.909 ( 1.677 -7.545 -1.352) 7.847 15.612 ( -1.022 8.351 -4.290) 9.444 15.928 ( 1.032 6.678 -13.454) 15.055 16.499 ( 5.186 2.391 4.367) 7.189 16.828 ( -5.034 -0.520 1.707) 5.341 17.401 ( 16.000 1.654 -8.577) 18.229 17.709 ( -2.411 2.482 2.027) 4.010 19.076 ( -11.831 -8.007 11.135) 18.113 19.684 ( -2.881 2.649 5.009) 6.357 20.364 ( -6.687 -0.486 6.073) 9.046 21.045 ( 3.879 -1.888 -2.399) 4.936 21.975 ( 0.926 5.432 -2.907) 6.230 23.407 ( 4.446 -11.215 2.289) 12.279 ======================= Grid point 73 (28/201) ======================= q-point: (-0.25 0.00 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -16.359 19.644 7.105) 26.533 1.517 ( -23.341 22.477 8.427) 33.482 2.218 ( -20.927 35.005 20.032) 45.438 2.494 ( -6.819 -2.618 -1.203) 7.403 2.750 ( -6.544 2.983 -1.166) 7.285 3.312 ( 12.812 -9.905 -5.449) 17.086 3.736 ( 1.991 4.012 4.050) 6.038 3.958 ( 5.998 2.402 -13.032) 14.546 4.338 ( -11.929 4.402 -2.432) 12.945 4.688 ( -2.651 -4.965 7.008) 8.989 5.110 ( 4.006 -3.923 -0.984) 5.693 5.290 ( 2.101 10.259 6.439) 12.293 5.393 ( 4.803 2.271 -3.437) 6.328 5.930 ( -4.425 0.690 6.907) 8.232 6.550 ( -2.980 -21.110 0.390) 21.323 6.560 ( -1.053 -12.817 -2.259) 13.057 7.135 ( 3.066 -0.539 1.745) 3.568 7.328 ( 1.721 10.162 -3.751) 10.969 7.717 ( -2.328 -6.658 2.521) 7.491 7.952 ( -0.625 -8.251 -2.241) 8.572 8.383 ( 1.245 0.500 3.890) 4.115 8.610 ( -8.017 -7.241 18.375) 21.315 8.742 ( 0.018 7.764 -0.614) 7.788 9.372 ( 3.115 -7.368 -9.078) 12.100 9.468 ( -2.591 8.373 12.159) 14.989 9.989 ( 2.205 -7.417 1.698) 7.922 10.455 ( 12.065 14.102 -28.619) 34.110 10.967 ( 0.067 5.715 4.120) 7.046 11.476 ( 1.133 -5.010 1.844) 5.458 11.607 ( 9.538 6.959 -3.972) 12.457 12.047 ( 3.492 2.060 -14.708) 15.256 12.114 ( 4.233 0.531 9.326) 10.256 12.569 ( 4.595 2.153 7.178) 8.790 12.753 ( 4.778 4.872 12.538) 14.275 13.176 ( 1.951 -5.395 -1.137) 5.848 13.369 ( -0.336 -2.985 -2.751) 4.074 13.564 ( -0.453 2.685 -2.942) 4.009 13.723 ( -6.841 0.714 2.747) 7.406 13.881 ( -5.245 0.444 4.998) 7.259 14.232 ( 13.084 4.133 12.423) 18.509 14.580 ( 9.344 1.982 2.140) 9.789 15.039 ( 0.614 -7.972 -1.784) 8.192 15.489 ( 1.665 6.763 -0.401) 6.976 15.710 ( 0.259 12.571 -19.983) 23.610 16.503 ( 2.750 5.510 2.168) 6.528 16.773 ( -5.440 -0.228 -0.023) 5.445 17.527 ( 12.509 1.546 -2.815) 12.914 17.675 ( 1.264 -0.978 -3.534) 3.879 19.109 ( -22.493 -12.828 20.044) 32.745 19.641 ( -1.193 2.071 1.405) 2.773 20.310 ( -8.109 0.013 5.990) 10.082 21.134 ( 8.154 -1.723 -3.110) 8.895 21.860 ( -0.952 7.702 -2.461) 8.142 23.640 ( 0.304 -13.678 4.186) 14.307 ======================= Grid point 74 (29/201) ======================= q-point: (-0.12 0.00 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -16.272 19.274 16.386) 30.079 0.936 ( -22.231 24.889 18.893) 38.349 1.526 ( -32.378 32.481 42.934) 62.823 2.490 ( -0.383 -1.069 -1.007) 1.518 2.682 ( -1.574 -0.053 0.163) 1.583 3.508 ( 6.333 -5.079 -9.220) 12.285 3.758 ( 6.628 3.400 2.549) 7.873 3.895 ( 1.556 3.813 -10.589) 11.362 4.124 ( -6.249 6.665 3.914) 9.939 4.728 ( -3.554 -0.948 4.307) 5.664 5.163 ( 8.100 2.574 -4.175) 9.469 5.304 ( -2.649 -6.530 -2.422) 7.451 5.427 ( 0.270 -4.125 2.497) 4.830 5.818 ( -10.001 7.747 7.075) 14.494 6.656 ( 2.091 -5.851 -7.844) 10.007 6.826 ( -2.003 -13.947 2.410) 14.295 7.097 ( 0.971 15.373 0.030) 15.403 7.242 ( -1.904 -5.100 3.537) 6.492 7.828 ( -1.552 -9.333 2.053) 9.681 8.031 ( 0.839 -0.618 -0.741) 1.278 8.289 ( -2.377 2.319 -11.626) 12.091 8.677 ( 5.062 7.029 11.382) 14.303 8.877 ( -11.885 -25.255 24.517) 37.151 9.331 ( -1.561 1.779 -6.513) 6.930 9.551 ( 2.753 -2.708 6.937) 7.940 10.103 ( -0.200 -0.637 -6.621) 6.655 10.197 ( 15.266 18.786 -21.574) 32.426 10.903 ( -1.928 4.556 6.159) 7.900 11.431 ( -1.553 6.564 -4.995) 8.393 11.622 ( 12.430 1.882 -17.371) 21.443 12.007 ( 2.505 -0.596 -9.251) 9.603 12.200 ( -2.578 -3.020 6.207) 7.368 12.581 ( -6.596 2.194 13.684) 15.348 13.038 ( 18.051 -10.904 14.083) 25.359 13.227 ( 0.967 -3.035 -1.635) 3.581 13.411 ( 3.182 -1.083 -1.350) 3.622 13.515 ( 2.821 4.147 -1.978) 5.391 13.653 ( -6.831 -1.333 2.939) 7.555 13.831 ( -1.650 4.145 2.204) 4.976 14.527 ( 14.654 -6.352 12.738) 20.429 14.728 ( 15.835 0.166 5.712) 16.835 15.084 ( 1.618 0.476 -5.636) 5.883 15.364 ( 10.741 23.988 -8.396) 27.592 15.448 ( 3.671 3.778 0.747) 5.321 16.445 ( 0.177 5.096 0.677) 5.144 16.721 ( -3.314 -0.203 -1.137) 3.509 17.555 ( -0.602 1.976 1.985) 2.865 17.788 ( 11.892 -6.220 -6.662) 14.983 19.209 ( -24.968 -23.020 28.279) 44.193 19.664 ( 7.353 -5.144 5.899) 10.739 20.254 ( -5.721 0.656 5.705) 8.106 21.223 ( 9.259 2.273 -2.740) 9.920 21.722 ( 0.426 8.084 -2.399) 8.444 23.741 ( -27.900 -14.314 -19.905) 37.142 ======================= Grid point 76 (30/201) ======================= q-point: ( 0.12 0.12 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 12.601 0.000 26.090) 28.974 1.217 ( 12.766 0.000 27.765) 30.559 2.051 ( 30.722 0.000 37.621) 48.571 2.669 ( 8.881 0.000 2.278) 9.169 2.788 ( 4.382 0.000 3.011) 5.317 3.289 ( -4.862 -0.000 -11.840) 12.799 3.786 ( -1.927 -0.000 -0.687) 2.046 3.876 ( -8.060 -0.000 11.446) 13.998 4.785 ( 0.268 0.000 6.665) 6.671 4.890 ( 0.353 0.000 -10.408) 10.414 5.068 ( 8.946 0.000 -16.544) 18.808 5.232 ( -2.611 -0.000 -7.661) 8.094 5.406 ( 9.428 0.000 -5.269) 10.801 5.447 ( -6.840 -0.000 10.092) 12.191 6.652 ( -12.371 -0.000 -2.392) 12.600 6.680 ( 1.042 0.000 -1.919) 2.183 7.043 ( 4.284 0.000 2.668) 5.047 7.345 ( 2.644 0.000 3.429) 4.330 7.890 ( -7.331 -0.000 16.005) 17.604 7.988 ( -1.142 -0.000 -9.493) 9.562 8.083 ( 2.306 0.000 -1.532) 2.768 8.826 ( -17.309 -0.000 25.579) 30.885 9.107 ( 2.867 0.000 12.194) 12.527 9.238 ( -10.130 -0.000 -8.720) 13.366 9.254 ( 3.994 0.000 -16.414) 16.893 10.145 ( 3.214 0.000 6.229) 7.009 10.169 ( -5.669 -0.000 14.606) 15.668 10.922 ( 4.380 0.000 -1.937) 4.789 11.167 ( 0.685 0.000 -9.880) 9.904 11.780 ( 10.784 0.000 -10.507) 15.057 11.889 ( -17.633 -0.000 19.403) 26.219 12.121 ( -3.140 -0.000 -0.852) 3.253 12.176 ( -25.751 -0.000 24.963) 35.865 12.702 ( -9.182 -0.000 8.286) 12.368 13.100 ( -1.250 -0.000 -4.470) 4.642 13.339 ( 0.737 0.000 -4.802) 4.858 13.574 ( 2.066 0.000 1.627) 2.629 13.728 ( -1.479 -0.000 8.709) 8.834 13.774 ( 5.113 0.000 0.639) 5.153 13.870 ( -5.114 -0.000 10.638) 11.804 14.550 ( -5.773 -0.000 -1.069) 5.871 14.834 ( -16.601 -0.000 -12.998) 21.085 15.490 ( 11.896 0.000 9.238) 15.062 16.384 ( 1.231 0.000 -0.191) 1.246 16.477 ( 2.388 0.000 13.006) 13.224 16.621 ( -2.813 -0.000 -6.091) 6.709 17.405 ( -1.871 -0.000 -5.113) 5.445 17.950 ( -13.030 -0.000 5.123) 14.000 19.129 ( 11.192 0.000 -13.453) 17.499 20.265 ( 1.376 0.000 3.706) 3.953 20.780 ( -41.638 -0.000 30.319) 51.507 21.323 ( 2.505 0.000 7.106) 7.535 21.488 ( 4.317 0.000 -13.290) 13.973 22.026 ( 49.209 0.000 -29.292) 57.268 ======================= Grid point 77 (31/201) ======================= q-point: ( 0.25 0.12 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 17.471 1.745 19.411) 26.174 1.589 ( 19.006 -6.537 16.009) 25.696 2.617 ( 14.629 -3.617 20.758) 25.651 2.792 ( 17.267 3.249 5.584) 18.436 2.896 ( 6.057 -5.275 4.894) 9.406 3.190 ( -5.276 -3.030 -8.113) 10.140 3.764 ( -3.113 -1.825 4.753) 5.968 3.878 ( -9.430 -6.954 4.390) 12.512 4.591 ( -4.425 14.131 4.297) 15.419 4.810 ( -5.224 14.124 -8.871) 17.478 4.980 ( 4.353 -5.916 -2.730) 7.836 5.304 ( -5.860 -8.528 -1.510) 10.457 5.403 ( 0.861 -0.813 -0.494) 1.284 5.532 ( 4.534 -2.102 0.480) 5.021 6.434 ( -8.102 4.135 -3.040) 9.590 6.863 ( -0.740 -16.875 -6.253) 18.011 7.003 ( 5.044 16.389 2.305) 17.302 7.400 ( 4.161 0.255 5.280) 6.727 7.714 ( -3.252 15.266 2.303) 15.777 7.952 ( -3.253 2.028 1.814) 4.241 8.180 ( 3.052 -8.266 -1.159) 8.888 8.713 ( -12.899 9.320 22.077) 27.215 8.949 ( -4.256 2.358 -11.537) 12.521 9.338 ( -10.223 -19.024 -1.881) 21.679 9.403 ( 6.998 -8.347 3.430) 11.420 9.955 ( -3.753 9.481 9.884) 14.201 10.522 ( -4.567 -23.053 6.127) 24.286 10.942 ( 5.927 3.874 -3.535) 7.914 11.166 ( 3.347 -3.124 -11.695) 12.559 11.754 ( -9.661 7.330 20.874) 24.141 11.877 ( 8.850 -3.657 -8.736) 12.962 12.078 ( 0.217 -0.745 -4.927) 4.987 12.182 ( -12.182 -11.193 12.831) 20.936 12.716 ( -4.393 -5.029 5.835) 8.868 13.023 ( 0.055 6.106 -4.654) 7.677 13.410 ( 1.624 -10.365 -4.454) 11.398 13.610 ( 0.576 -1.781 0.827) 2.047 13.706 ( -1.675 4.262 7.278) 8.599 13.858 ( 1.452 -2.583 1.616) 3.375 13.887 ( -3.729 -1.941 9.846) 10.706 14.418 ( -8.333 5.221 -1.635) 9.968 14.662 ( -13.748 -9.050 -9.376) 18.943 15.697 ( 13.536 -0.908 7.841) 15.669 16.360 ( 1.542 5.862 1.802) 6.324 16.487 ( -3.867 2.771 -2.015) 5.167 16.638 ( -0.279 -6.664 3.567) 7.564 17.358 ( -1.713 -0.308 -4.775) 5.083 17.803 ( -17.730 -2.310 5.214) 18.624 19.192 ( 19.416 6.684 -11.381) 23.477 20.297 ( 0.912 3.753 4.143) 5.664 20.332 ( -9.305 21.649 19.262) 30.435 21.215 ( -3.756 6.430 0.187) 7.449 21.747 ( -3.981 -18.831 0.486) 19.253 22.493 ( 35.368 -12.374 -28.372) 47.000 ======================= Grid point 78 (32/201) ======================= q-point: ( 0.38 0.12 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 16.657 0.073 10.836) 19.871 1.989 ( 20.194 -7.761 7.707) 22.966 2.643 ( -0.440 9.543 5.115) 10.836 2.869 ( 3.583 8.540 -0.993) 9.314 3.101 ( 0.374 -3.528 9.921) 10.536 3.210 ( 4.890 -0.514 -1.474) 5.133 3.819 ( -2.050 -5.648 6.675) 8.981 3.947 ( -4.255 -12.736 -5.335) 14.449 4.409 ( -0.715 10.039 -1.790) 10.223 4.581 ( -7.747 1.321 7.891) 11.136 5.062 ( 7.554 1.633 -1.694) 7.912 5.335 ( -5.167 -3.739 7.492) 9.839 5.467 ( -3.340 -9.496 -3.290) 10.590 5.643 ( -0.764 -9.726 4.647) 10.806 6.290 ( -5.315 4.549 -1.321) 7.119 6.688 ( 2.087 32.113 3.615) 32.383 7.043 ( -1.752 -13.290 -5.528) 14.500 7.436 ( -1.039 8.602 2.681) 9.070 7.542 ( 6.158 1.730 -1.855) 6.660 7.914 ( -1.250 1.063 4.574) 4.859 8.324 ( -0.087 -7.728 0.508) 7.745 8.507 ( -7.264 11.171 8.084) 15.585 8.880 ( -2.591 -1.478 -2.166) 3.686 9.446 ( -5.446 -14.178 -9.417) 17.871 9.513 ( -0.021 7.176 6.718) 9.830 9.990 ( -1.652 -10.932 9.201) 14.384 10.670 ( -11.762 -4.940 6.828) 14.469 10.928 ( 3.206 1.224 -3.548) 4.936 11.199 ( 5.940 -2.970 -12.507) 14.161 11.732 ( 3.048 3.567 14.743) 15.472 11.989 ( 7.321 -3.873 -9.276) 12.435 12.088 ( 6.659 -1.400 -10.160) 12.229 12.324 ( -8.187 -14.754 10.354) 19.797 12.775 ( -2.611 -4.412 4.561) 6.861 12.888 ( 0.488 8.709 -3.735) 9.489 13.558 ( -0.126 -8.509 -6.147) 10.498 13.627 ( -3.335 2.210 2.276) 4.603 13.683 ( 2.105 -1.642 3.017) 4.029 13.891 ( -2.712 -2.070 4.441) 5.600 13.957 ( -4.563 -6.943 8.135) 11.627 14.243 ( -9.622 1.936 -0.503) 9.827 14.636 ( -8.853 -10.280 -6.710) 15.135 15.875 ( 10.904 1.415 0.867) 11.029 16.235 ( -1.992 7.528 -5.359) 9.453 16.447 ( 2.010 1.471 4.393) 5.050 16.739 ( -1.373 -5.373 2.695) 6.166 17.331 ( -0.426 -1.469 -4.103) 4.379 17.686 ( -17.671 -6.131 4.741) 19.295 19.247 ( 20.930 11.590 -6.712) 24.848 20.040 ( -2.033 18.142 14.049) 23.035 20.337 ( 0.492 -0.639 3.091) 3.195 21.093 ( -3.334 3.953 -0.805) 5.234 21.914 ( -4.201 -10.369 1.159) 11.248 22.863 ( 23.856 -9.492 -19.187) 32.052 ======================= Grid point 79 (33/201) ======================= q-point: (-0.50 0.12 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 11.780 6.290 6.010) 14.644 2.321 ( 8.507 -2.911 4.794) 10.189 2.470 ( -0.212 11.788 3.038) 12.175 2.742 ( -2.045 5.141 1.851) 5.834 3.049 ( -5.311 6.029 -1.496) 8.173 3.257 ( 1.510 1.501 2.544) 3.317 3.887 ( -1.427 -0.591 -5.185) 5.410 4.041 ( -0.736 -9.568 1.469) 9.708 4.257 ( 0.535 6.490 -7.366) 9.832 4.672 ( -4.149 -10.856 11.683) 16.479 5.146 ( 2.764 -1.935 9.451) 10.035 5.347 ( 1.185 1.850 -1.365) 2.586 5.556 ( -4.324 -8.652 3.032) 10.136 5.860 ( -3.626 -18.254 7.032) 19.895 6.080 ( -0.388 22.179 -0.514) 22.188 6.286 ( -3.979 18.168 5.976) 19.535 7.160 ( -2.422 -10.198 -4.175) 11.283 7.307 ( 2.923 6.908 -2.799) 8.006 7.614 ( 3.599 0.047 0.329) 3.615 7.944 ( -0.884 -1.367 7.906) 8.072 8.255 ( -6.006 6.952 0.939) 9.235 8.506 ( -0.091 -7.387 5.665) 9.309 8.874 ( 2.155 0.747 -3.013) 3.779 9.373 ( 0.518 10.640 -0.946) 10.694 9.538 ( -2.788 -11.045 -8.145) 14.004 10.103 ( -8.734 -1.011 6.049) 10.672 10.629 ( -0.159 -0.392 5.374) 5.391 10.964 ( 1.197 -4.232 0.058) 4.399 11.236 ( 3.127 -2.047 -7.876) 8.718 11.812 ( 7.434 4.696 7.476) 11.542 12.045 ( 6.395 -2.212 -10.041) 12.108 12.164 ( 9.265 -1.263 -10.769) 14.262 12.478 ( -6.607 -10.094 3.995) 12.708 12.775 ( -0.494 3.253 1.766) 3.734 12.854 ( 1.645 -3.978 5.421) 6.922 13.510 ( -2.223 8.032 1.879) 8.543 13.590 ( -2.623 -3.622 -7.038) 8.338 13.754 ( -3.192 -2.843 2.860) 5.143 13.906 ( -4.129 -2.583 3.249) 5.855 14.040 ( -5.080 -3.314 8.005) 10.043 14.209 ( -6.225 -12.879 0.114) 14.304 14.676 ( -3.711 -9.690 -5.066) 11.547 15.859 ( 1.938 7.919 -6.220) 10.255 16.119 ( 4.654 5.579 -7.752) 10.624 16.516 ( 4.930 -0.260 6.481) 8.147 16.783 ( -2.807 -2.616 0.431) 3.861 17.362 ( 2.590 -3.930 -2.697) 5.424 17.612 ( -17.505 -7.860 4.160) 19.635 19.255 ( 16.657 14.799 0.167) 22.282 19.874 ( -0.704 11.569 9.335) 14.882 20.355 ( -2.296 -0.192 3.696) 4.355 21.032 ( 2.108 1.432 -2.388) 3.492 21.971 ( -7.334 -5.485 1.819) 9.337 23.140 ( 17.842 -7.121 -11.422) 22.349 ======================= Grid point 80 (34/201) ======================= q-point: (-0.38 0.12 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.678 18.981 6.274) 20.003 2.114 ( -9.942 18.361 4.256) 21.309 2.445 ( -2.085 1.552 3.305) 4.204 2.804 ( 4.563 3.204 1.763) 5.848 2.887 ( -7.197 -0.252 1.172) 7.296 3.203 ( 3.626 6.852 -3.158) 8.371 3.816 ( 0.300 2.494 -2.706) 3.692 4.110 ( -1.067 6.459 -4.781) 8.107 4.230 ( 1.239 -9.653 1.485) 9.845 4.803 ( 1.444 0.398 2.627) 3.024 5.162 ( -4.382 7.072 6.242) 10.401 5.344 ( -1.036 -2.531 4.246) 5.050 5.637 ( 1.071 0.418 7.216) 7.307 5.823 ( 1.431 4.618 -1.366) 5.024 6.093 ( -5.220 0.406 1.622) 5.481 6.147 ( -4.259 -15.548 7.853) 17.932 7.208 ( 3.022 3.020 -2.895) 5.161 7.325 ( 2.329 -7.933 -1.711) 8.443 7.614 ( -0.808 0.550 -1.228) 1.569 7.935 ( -4.051 6.166 4.690) 8.742 8.196 ( -3.338 -5.291 9.148) 11.083 8.626 ( -2.858 -4.397 5.669) 7.722 8.865 ( 6.149 2.639 -7.882) 10.340 9.254 ( 1.625 3.570 -6.502) 7.593 9.613 ( -1.373 -5.488 -1.150) 5.773 9.957 ( -7.125 7.881 9.158) 14.027 10.684 ( 8.473 1.485 -11.855) 14.647 11.057 ( 1.359 -3.025 1.981) 3.863 11.274 ( -0.978 -5.088 4.359) 6.771 11.831 ( 9.142 7.661 -1.280) 11.996 12.106 ( 4.144 -1.924 -5.852) 7.425 12.149 ( 4.750 3.872 -16.204) 17.324 12.537 ( -2.377 -4.603 5.329) 7.432 12.786 ( 1.014 -1.416 2.175) 2.787 13.014 ( 4.596 -6.328 7.973) 11.169 13.372 ( -3.998 5.650 -0.013) 6.921 13.567 ( -2.181 -1.803 -5.073) 5.809 13.728 ( -7.826 -1.153 4.323) 9.014 13.882 ( -5.790 0.482 4.928) 7.618 14.111 ( 2.203 -6.019 3.528) 7.316 14.379 ( -4.207 -15.226 0.863) 15.820 14.783 ( 0.972 -9.682 -2.379) 10.017 15.711 ( 0.799 8.440 -5.102) 9.894 16.040 ( 7.722 8.687 -11.239) 16.168 16.599 ( 3.198 -0.010 2.651) 4.154 16.762 ( -3.155 -0.185 -1.332) 3.430 17.473 ( 6.584 -5.820 -4.776) 10.001 17.546 ( -17.459 -7.653 5.182) 19.754 19.197 ( 6.550 15.369 9.960) 19.451 19.772 ( 0.250 7.334 4.130) 8.421 20.323 ( -5.699 0.971 4.543) 7.352 21.085 ( 9.568 -1.293 -3.858) 10.397 21.930 ( -11.138 -2.121 2.821) 11.684 23.364 ( 12.240 -6.304 -7.670) 15.760 ======================= Grid point 81 (35/201) ======================= q-point: (-0.25 0.12 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -6.361 25.333 10.269) 28.066 1.685 ( -13.979 24.873 6.619) 29.290 2.422 ( -3.874 2.338 0.908) 4.615 2.628 ( -5.108 16.140 7.005) 18.321 2.758 ( -4.871 11.906 7.772) 15.030 3.282 ( 10.908 -7.007 -8.462) 15.482 3.830 ( 5.588 -0.416 0.627) 5.638 3.972 ( -1.672 6.240 -4.479) 7.860 4.327 ( 0.778 0.460 -3.242) 3.366 4.697 ( -5.896 7.652 11.211) 14.799 5.102 ( 2.465 0.155 -4.445) 5.085 5.372 ( -4.988 -1.237 8.171) 9.653 5.595 ( 7.733 12.859 -1.850) 15.119 5.898 ( -0.841 -3.079 3.202) 4.521 6.141 ( -8.005 -21.471 5.278) 23.514 6.373 ( -1.861 -13.868 -0.154) 13.993 7.185 ( 3.946 2.826 -0.969) 4.949 7.448 ( 3.934 0.237 -2.647) 4.748 7.608 ( -1.903 -3.678 -0.859) 4.229 7.816 ( -6.046 -1.682 0.410) 6.289 8.350 ( -3.082 -8.172 14.466) 16.898 8.583 ( -5.056 3.962 0.394) 6.436 8.875 ( 5.473 2.824 1.779) 6.410 9.238 ( 0.078 -5.124 -10.020) 11.254 9.637 ( 0.390 5.636 13.568) 14.697 9.912 ( -0.935 -3.203 3.814) 5.068 10.616 ( 10.290 8.864 -22.347) 26.150 11.067 ( 0.570 3.918 2.002) 4.437 11.410 ( -1.790 -8.010 8.373) 11.724 11.783 ( 6.323 8.657 -5.939) 12.256 12.016 ( 2.645 1.737 -20.660) 20.900 12.153 ( 0.896 -0.971 -1.354) 1.892 12.610 ( -1.984 -1.514 9.354) 9.682 12.859 ( 4.519 -3.763 -0.272) 5.887 13.162 ( 2.800 -0.062 4.097) 4.962 13.306 ( -1.146 -4.119 0.458) 4.300 13.538 ( -3.586 -0.954 -0.350) 3.727 13.674 ( -4.919 0.730 3.243) 5.937 13.850 ( -3.497 -0.562 4.404) 5.652 14.290 ( 4.613 -9.150 3.898) 10.963 14.542 ( -2.901 -11.318 0.414) 11.691 14.940 ( 3.795 -8.408 -0.389) 9.233 15.588 ( 0.798 7.095 -3.154) 7.805 15.936 ( 14.598 12.147 -13.121) 23.082 16.603 ( -0.130 2.540 -0.628) 2.620 16.717 ( -1.986 0.611 -1.936) 2.840 17.472 ( -15.955 -8.262 0.099) 17.968 17.630 ( 8.822 -4.550 -3.259) 10.447 19.070 ( -7.822 12.033 21.910) 26.192 19.707 ( 2.329 4.674 -0.421) 5.239 20.265 ( -5.744 0.872 5.446) 7.963 21.227 ( 14.403 -1.382 -4.736) 15.224 21.817 ( -13.657 -0.409 3.564) 14.121 23.495 ( 2.494 -4.652 -11.098) 12.290 ======================= Grid point 82 (36/201) ======================= q-point: (-0.12 0.12 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -1.642 24.122 16.439) 29.237 1.172 ( -13.535 27.039 13.523) 33.124 2.092 ( -5.592 34.806 24.328) 42.832 2.527 ( 2.338 2.544 5.165) 6.214 2.684 ( 2.009 1.803 2.307) 3.551 3.429 ( 4.060 -6.112 -9.929) 12.346 3.812 ( -5.548 4.537 -2.901) 7.732 3.963 ( 11.984 0.306 1.098) 12.038 4.257 ( 4.848 4.801 -2.082) 7.134 4.673 ( -5.813 -2.829 10.349) 12.202 5.108 ( -0.011 -3.812 -9.564) 10.296 5.364 ( -4.487 2.067 10.114) 11.256 5.479 ( 5.938 10.712 -2.107) 12.427 5.841 ( -7.118 5.515 1.789) 9.180 6.488 ( -1.793 -19.654 -1.099) 19.767 6.530 ( -0.213 -17.192 0.915) 17.217 7.214 ( 2.346 -0.749 2.141) 3.263 7.313 ( -0.681 14.340 -4.821) 15.144 7.665 ( -3.131 -8.650 -0.753) 9.230 7.911 ( -0.712 -12.060 -0.751) 12.104 8.321 ( -0.437 9.780 -8.158) 12.744 8.612 ( -10.704 -11.116 21.519) 26.481 8.943 ( 6.555 3.745 16.579) 18.217 9.245 ( -3.074 -3.736 -9.803) 10.932 9.640 ( 1.558 5.117 13.592) 14.607 9.989 ( -2.477 -5.772 -1.817) 6.538 10.480 ( 15.236 11.343 -22.413) 29.379 10.992 ( -1.642 6.436 2.529) 7.107 11.467 ( -1.670 3.000 -0.612) 3.488 11.709 ( 5.317 2.260 -8.919) 10.626 11.949 ( 2.718 -1.053 -15.423) 15.696 12.156 ( -2.311 -1.639 -0.791) 2.942 12.600 ( -8.669 2.995 13.902) 16.655 12.970 ( -0.014 -7.303 -4.626) 8.645 13.169 ( -4.973 -3.633 0.411) 6.172 13.421 ( 4.626 -3.899 1.304) 6.189 13.519 ( -0.615 0.285 1.988) 2.100 13.640 ( -0.751 1.527 3.395) 3.798 13.853 ( -1.288 0.070 3.098) 3.356 14.429 ( -15.090 -2.588 2.582) 15.527 14.554 ( -5.283 -2.230 -8.834) 10.532 15.105 ( 3.293 -6.500 2.636) 7.748 15.448 ( -1.731 8.118 -6.229) 10.378 16.005 ( 29.294 4.482 -3.331) 29.822 16.532 ( -0.177 5.311 -1.197) 5.447 16.681 ( -1.332 -0.220 -2.910) 3.208 17.435 ( -9.539 -7.511 0.490) 12.151 17.786 ( 9.656 -6.037 -4.034) 12.081 18.959 ( -15.871 -0.319 28.407) 32.541 19.724 ( 5.813 -2.478 4.509) 7.763 20.235 ( -3.555 0.088 6.440) 7.357 21.384 ( 15.099 0.787 -5.051) 15.941 21.685 ( -12.088 -0.735 3.069) 12.493 23.308 ( -18.250 11.049 -25.687) 33.391 ======================= Grid point 85 (37/201) ======================= q-point: ( 0.25 0.25 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 22.739 0.000 13.340) 26.363 1.809 ( 15.189 0.000 18.615) 24.025 2.813 ( 7.435 0.000 8.433) 11.243 2.922 ( 2.433 0.000 3.571) 4.321 3.029 ( -7.232 -0.000 -7.646) 10.524 3.206 ( 32.655 0.000 11.685) 34.682 3.687 ( -4.867 -0.000 -1.523) 5.100 3.763 ( -13.163 -0.000 14.237) 19.390 4.662 ( -10.924 -0.000 4.797) 11.931 4.864 ( 0.574 0.000 4.598) 4.633 4.882 ( -4.084 -0.000 -16.172) 16.680 5.064 ( -4.707 -0.000 -1.642) 4.985 5.447 ( -1.686 -0.000 5.008) 5.284 5.648 ( 10.956 0.000 -10.611) 15.252 6.327 ( -12.178 -0.000 -1.020) 12.220 6.680 ( 0.166 0.000 -1.003) 1.017 7.210 ( 9.509 0.000 -3.142) 10.015 7.484 ( 4.330 0.000 5.045) 6.649 7.846 ( -1.423 -0.000 -7.410) 7.546 7.954 ( -5.375 -0.000 21.153) 21.826 8.117 ( 0.271 0.000 -1.948) 1.967 8.753 ( -13.297 -0.000 24.935) 28.259 8.907 ( -8.361 -0.000 -10.037) 13.063 8.979 ( -1.087 -0.000 -14.330) 14.371 9.421 ( 5.996 0.000 4.791) 7.675 10.144 ( -12.545 -0.000 16.520) 20.743 10.177 ( -7.294 -0.000 8.623) 11.294 11.063 ( 9.203 0.000 -3.708) 9.922 11.155 ( 8.113 0.000 -13.276) 15.558 11.834 ( -4.258 -0.000 18.516) 18.999 11.908 ( 6.421 0.000 -5.831) 8.674 12.017 ( -6.857 -0.000 6.619) 9.530 12.090 ( 4.402 0.000 -2.699) 5.163 12.675 ( -2.583 -0.000 7.261) 7.707 13.065 ( 1.223 0.000 -2.857) 3.108 13.346 ( 3.029 0.000 -1.937) 3.596 13.596 ( -0.125 -0.000 -2.017) 2.021 13.735 ( -5.990 -0.000 9.218) 10.993 13.867 ( 2.666 0.000 0.680) 2.751 13.898 ( -2.761 -0.000 9.164) 9.571 14.319 ( -15.637 -0.000 -10.812) 19.010 14.411 ( -6.034 -0.000 1.062) 6.127 15.886 ( 13.650 0.000 3.391) 14.065 16.404 ( -5.484 -0.000 -11.055) 12.341 16.487 ( 3.940 0.000 6.708) 7.780 16.598 ( -0.312 -0.000 6.104) 6.112 17.308 ( -3.042 -0.000 -1.459) 3.374 17.570 ( -20.686 -0.000 3.153) 20.925 19.417 ( 20.901 0.000 -9.947) 23.148 20.328 ( 1.072 0.000 2.178) 2.428 20.460 ( -13.172 -0.000 14.969) 19.939 21.366 ( -2.141 -0.000 -8.547) 8.811 21.464 ( 2.157 0.000 8.138) 8.419 22.711 ( 35.274 0.000 -23.672) 42.481 ======================= Grid point 86 (38/201) ======================= q-point: ( 0.38 0.25 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 18.049 5.745 11.966) 22.404 2.168 ( 18.324 -5.572 8.162) 20.819 2.820 ( 1.894 9.035 4.830) 10.419 2.865 ( -8.669 1.090 -5.333) 10.236 3.067 ( -0.554 -5.821 6.249) 8.558 3.489 ( 18.595 12.119 0.036) 22.196 3.705 ( -0.884 -8.460 -2.142) 8.771 3.731 ( -8.423 -6.140 11.181) 15.286 4.533 ( -5.162 8.135 8.050) 12.555 4.610 ( -3.815 9.541 -3.878) 10.983 5.022 ( 1.273 -11.343 -0.499) 11.425 5.138 ( -3.948 -12.460 -1.501) 13.156 5.440 ( -1.229 2.471 5.318) 5.991 5.623 ( 0.721 3.513 0.333) 3.602 6.219 ( -6.497 -1.779 -0.966) 6.805 6.799 ( -0.428 -13.616 -4.058) 14.214 7.152 ( 6.204 20.497 -0.725) 21.427 7.553 ( 2.423 1.242 6.713) 7.244 7.680 ( 0.808 13.063 -2.157) 13.264 7.944 ( -2.358 2.522 5.901) 6.837 8.199 ( -2.806 -8.652 3.717) 9.826 8.614 ( -8.529 10.755 5.341) 14.729 8.805 ( -1.818 -3.515 1.597) 4.268 9.089 ( -1.838 -16.860 -9.409) 19.395 9.584 ( 1.816 -6.225 5.029) 8.206 9.936 ( -7.066 4.597 9.260) 12.522 10.320 ( -17.240 -16.687 10.347) 26.129 11.072 ( 7.040 7.455 -5.164) 11.481 11.194 ( 8.471 -1.041 -13.043) 15.587 11.861 ( 3.832 0.584 -0.570) 3.918 11.958 ( 2.329 -3.113 -5.780) 6.966 12.070 ( -0.847 -4.772 15.687) 16.419 12.190 ( 7.259 -4.267 -1.434) 8.542 12.715 ( -2.420 -3.346 6.585) 7.773 13.009 ( 1.282 6.915 -1.214) 7.137 13.423 ( 1.468 -5.614 -2.030) 6.148 13.590 ( -0.082 -1.365 -2.278) 2.657 13.723 ( -4.365 -0.781 8.845) 9.894 13.867 ( -1.523 2.027 4.642) 5.289 13.900 ( -6.154 -0.129 3.032) 6.862 14.124 ( -9.966 -1.153 -1.698) 10.175 14.397 ( -5.227 -6.613 -1.932) 8.648 16.013 ( 9.044 2.138 -4.990) 10.548 16.254 ( -1.682 3.311 -10.147) 10.805 16.551 ( 3.996 2.962 7.017) 8.601 16.673 ( 0.954 -4.505 3.615) 5.854 17.278 ( -2.983 -1.183 0.590) 3.263 17.386 ( -20.227 -5.358 2.950) 21.132 19.568 ( 18.971 4.918 -7.107) 20.847 20.310 ( -5.829 12.185 10.399) 17.046 20.350 ( 0.343 -0.068 2.001) 2.032 21.180 ( 1.610 9.631 -4.029) 10.564 21.676 ( -4.174 -13.433 4.631) 14.809 22.990 ( 27.597 -2.843 -17.841) 32.985 ======================= Grid point 87 (39/201) ======================= q-point: (-0.50 0.25 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 15.197 7.141 7.074) 18.221 2.429 ( 9.760 -0.297 2.984) 10.210 2.662 ( -5.913 12.273 3.410) 14.043 2.735 ( -2.577 1.777 -0.616) 3.190 3.057 ( -9.213 3.127 3.560) 10.360 3.440 ( 12.991 13.539 -4.959) 19.407 3.793 ( -0.758 -6.832 -4.109) 8.008 3.870 ( -1.781 -13.269 3.621) 13.869 4.326 ( -0.688 10.080 -7.259) 12.441 4.583 ( -6.868 -2.744 19.588) 20.938 5.204 ( 5.421 -6.324 -0.291) 8.334 5.270 ( -2.186 -10.371 -1.146) 10.660 5.427 ( -3.781 -1.653 6.656) 7.831 5.650 ( -4.055 -7.777 6.803) 11.099 6.193 ( -1.917 0.497 1.112) 2.272 6.754 ( 0.382 35.312 2.624) 35.412 6.961 ( -0.965 -10.120 -2.400) 10.445 7.460 ( 1.324 9.631 2.183) 9.964 7.658 ( 2.817 0.110 0.222) 2.828 7.941 ( 0.174 -1.224 2.623) 2.900 8.242 ( -7.325 0.316 2.252) 7.670 8.464 ( -2.268 0.526 3.175) 3.937 8.877 ( 3.421 -3.121 -0.657) 4.677 9.260 ( -0.230 -12.359 -10.013) 15.908 9.554 ( -0.690 7.351 4.082) 8.437 9.982 ( -7.338 -6.935 8.373) 13.117 10.438 ( -13.247 -19.501 9.701) 25.493 11.001 ( 5.740 6.371 -6.834) 10.965 11.227 ( 6.397 -0.539 -10.887) 12.639 11.924 ( 4.173 -4.343 -5.577) 8.209 11.985 ( 2.443 -2.419 -9.109) 9.736 12.231 ( 8.245 -0.000 3.333) 8.893 12.333 ( 1.197 -6.548 7.128) 9.753 12.756 ( -4.041 -2.240 4.466) 6.425 12.942 ( 3.818 4.120 3.552) 6.646 13.446 ( -4.363 -2.599 -6.402) 8.172 13.599 ( 0.502 1.729 -0.302) 1.826 13.720 ( -5.824 2.017 8.596) 10.577 13.835 ( -1.771 -2.215 -1.562) 3.238 13.896 ( -5.126 -8.536 7.078) 12.216 14.075 ( -6.473 -1.458 6.813) 9.510 14.474 ( -1.023 -10.465 -2.679) 10.851 15.947 ( 1.139 6.740 -9.123) 11.400 16.209 ( 7.561 2.671 -9.504) 12.435 16.576 ( 1.727 0.370 -0.501) 1.836 16.755 ( 1.579 -0.984 3.283) 3.774 17.269 ( -12.353 -7.113 -2.590) 14.488 17.310 ( -8.379 -5.905 9.798) 14.180 19.631 ( 15.063 9.641 -3.671) 18.257 20.111 ( -2.660 14.486 7.740) 16.638 20.354 ( -1.361 0.848 2.331) 2.829 21.105 ( 6.482 3.628 -4.352) 8.609 21.776 ( -9.769 -7.703 5.546) 13.621 23.230 ( 20.118 -3.094 -12.482) 23.877 ======================= Grid point 88 (40/201) ======================= q-point: (-0.38 0.25 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 3.791 19.378 6.563) 20.807 2.317 ( -3.944 17.363 1.640) 17.881 2.467 ( -4.789 3.476 2.529) 6.435 2.806 ( -1.606 -2.749 -0.343) 3.202 2.902 ( 0.327 3.417 -0.190) 3.438 3.358 ( 7.077 10.284 -2.904) 12.817 3.831 ( 2.704 -1.341 -4.563) 5.471 4.082 ( -1.016 -13.296 3.555) 13.800 4.163 ( -1.555 6.764 -3.238) 7.658 4.730 ( -1.029 -11.517 10.124) 15.369 5.234 ( -4.522 5.539 8.288) 10.946 5.347 ( 1.268 -1.791 -4.314) 4.840 5.515 ( -3.023 -11.272 2.997) 12.049 5.831 ( -5.528 -17.405 8.374) 20.090 6.103 ( 1.959 15.824 1.864) 16.053 6.270 ( -3.164 25.030 7.100) 26.209 7.099 ( 0.228 -11.288 -0.508) 11.302 7.400 ( 3.882 5.178 2.398) 6.902 7.630 ( -0.384 3.920 -3.647) 5.369 7.972 ( -2.266 2.148 -0.031) 3.122 8.151 ( -3.634 -1.221 7.136) 8.101 8.515 ( -4.255 -6.544 3.232) 8.448 8.936 ( 7.393 1.387 -6.983) 10.263 9.237 ( -3.911 1.431 -10.324) 11.133 9.592 ( 6.714 -2.624 3.105) 7.849 9.987 ( -8.062 -0.614 13.352) 15.609 10.647 ( -3.442 -12.997 2.371) 13.653 10.978 ( 2.506 -2.686 -6.725) 7.663 11.250 ( 3.818 -0.956 -4.525) 5.998 11.987 ( 6.525 1.845 -5.787) 8.914 11.995 ( -2.474 -6.802 -12.554) 14.491 12.195 ( 3.182 7.404 -12.559) 14.922 12.510 ( 2.953 -4.316 13.697) 14.662 12.764 ( -1.799 -2.688 2.036) 3.822 13.038 ( 4.371 -4.879 7.107) 9.665 13.347 ( -8.205 1.751 -3.472) 9.080 13.549 ( -0.932 2.425 -0.827) 2.726 13.669 ( -1.730 1.597 3.912) 4.566 13.862 ( -2.480 -0.131 5.541) 6.072 14.048 ( 0.718 -8.140 4.766) 9.460 14.130 ( -4.883 -12.685 7.151) 15.359 14.637 ( 2.188 -11.417 0.133) 11.626 15.814 ( 2.230 7.440 -6.818) 10.336 16.192 ( 9.145 5.624 -10.557) 15.057 16.578 ( -0.024 -1.732 -5.685) 5.943 16.757 ( -1.842 0.988 -1.409) 2.521 17.215 ( -14.506 -8.104 1.056) 16.650 17.421 ( -0.149 -8.181 7.135) 10.856 19.579 ( 7.332 16.178 3.385) 18.082 19.921 ( -2.072 10.872 3.082) 11.489 20.317 ( -3.123 2.406 3.456) 5.243 21.177 ( 12.760 -1.174 -5.098) 13.791 21.747 ( -14.619 -3.751 6.566) 16.459 23.400 ( 12.346 -2.137 -10.238) 16.181 ======================= Grid point 89 (41/201) ======================= q-point: (-0.25 0.25 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -3.850 24.976 9.539) 27.012 1.966 ( -4.997 23.973 1.915) 24.563 2.441 ( 0.643 0.664 1.293) 1.590 2.661 ( -6.049 5.014 -3.099) 8.446 2.962 ( 1.269 3.731 7.458) 8.435 3.309 ( 6.179 2.966 -3.807) 7.840 3.880 ( 5.482 -0.196 -1.977) 5.831 4.038 ( -0.854 4.430 -0.577) 4.548 4.267 ( -0.183 -8.528 2.734) 8.957 4.847 ( -0.064 7.092 0.796) 7.137 5.137 ( -3.651 2.389 7.129) 8.358 5.296 ( -4.958 0.767 0.899) 5.097 5.706 ( -2.657 -17.164 5.504) 18.220 5.860 ( 2.392 9.155 -1.185) 9.536 6.026 ( -2.533 11.346 4.938) 12.630 6.123 ( -3.710 -15.248 6.850) 17.123 7.251 ( 2.180 -3.893 0.589) 4.501 7.421 ( 4.264 -0.355 -1.096) 4.417 7.566 ( -0.829 -2.167 0.109) 2.323 7.801 ( -6.242 9.356 -3.609) 11.812 8.279 ( -1.840 -7.525 14.734) 16.646 8.540 ( -4.909 -2.507 -1.944) 5.845 8.954 ( 8.459 0.965 -7.358) 11.253 9.129 ( -4.679 -0.767 -6.459) 8.013 9.727 ( 5.220 -3.471 2.682) 6.819 9.987 ( -1.819 5.474 18.696) 19.565 10.690 ( 5.012 1.783 -15.754) 16.628 11.054 ( -2.800 -7.358 -0.120) 7.874 11.318 ( -0.275 -5.187 6.302) 8.166 11.863 ( -9.650 4.845 -11.492) 15.769 11.989 ( 9.143 2.822 -12.713) 15.911 12.115 ( 3.392 -0.599 -12.888) 13.340 12.629 ( 0.187 -0.986 8.932) 8.988 12.819 ( 1.565 -3.602 -1.458) 4.189 13.171 ( -13.113 -2.859 2.687) 13.687 13.238 ( 4.973 -2.140 5.633) 7.813 13.534 ( 2.487 0.716 1.339) 2.914 13.674 ( 2.081 0.958 1.648) 2.822 13.850 ( -2.249 1.241 6.611) 7.092 14.188 ( -1.849 -9.051 2.986) 9.708 14.357 ( 0.976 -12.664 5.472) 13.830 14.847 ( 3.192 -10.908 3.249) 11.820 15.703 ( 2.531 8.282 -3.659) 9.401 16.167 ( 12.321 5.814 -9.271) 16.479 16.567 ( -0.467 -1.453 -6.047) 6.237 16.688 ( -4.782 -0.748 -6.066) 7.760 17.189 ( -9.366 -7.015 1.194) 11.763 17.593 ( 3.263 -8.421 2.181) 9.291 19.349 ( -6.321 20.785 12.242) 24.937 19.796 ( 0.047 5.360 -1.094) 5.471 20.269 ( -2.195 2.356 4.869) 5.838 21.351 ( 14.850 -2.809 -5.133) 15.961 21.640 ( -15.158 -1.900 6.195) 16.485 23.440 ( 2.729 1.508 -12.858) 13.231 ======================= Grid point 90 (42/201) ======================= q-point: (-0.12 0.25 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -1.089 22.784 9.143) 24.575 1.558 ( 1.025 26.717 6.556) 27.528 2.448 ( 5.893 6.140 2.787) 8.955 2.555 ( -4.541 -0.358 4.240) 6.223 2.914 ( 4.054 11.369 12.042) 17.049 3.343 ( 1.614 -2.818 -6.340) 7.123 3.841 ( -1.987 6.091 1.570) 6.596 4.083 ( 9.360 -1.598 -1.433) 9.602 4.333 ( 0.716 0.871 -1.794) 2.119 4.673 ( -7.044 6.733 12.852) 16.128 5.042 ( -0.424 4.628 -9.597) 10.663 5.330 ( -5.730 -5.351 9.245) 12.122 5.738 ( 5.782 13.080 -2.336) 14.491 5.853 ( -6.419 7.057 2.622) 9.893 6.078 ( -1.716 -29.319 4.997) 29.791 6.329 ( -2.160 -12.875 1.726) 13.169 7.281 ( 2.382 2.253 2.879) 4.363 7.410 ( 0.381 2.424 -8.510) 8.856 7.563 ( -3.625 6.143 -5.768) 9.173 7.740 ( 0.030 -11.705 7.281) 13.785 8.407 ( -0.592 1.177 4.563) 4.749 8.469 ( -6.929 -2.843 5.384) 9.224 9.074 ( -4.223 -1.720 0.649) 4.606 9.084 ( 6.971 -7.915 -1.815) 10.702 9.816 ( 0.506 0.966 4.753) 4.876 9.964 ( -0.034 8.146 13.995) 16.193 10.623 ( 9.562 3.238 -19.490) 21.949 11.063 ( -2.530 2.635 1.907) 4.120 11.448 ( -2.854 -6.942 10.654) 13.032 11.617 ( -9.979 1.928 -12.583) 16.175 11.975 ( 10.825 4.615 -16.567) 20.321 12.090 ( 0.377 -1.591 -9.287) 9.430 12.638 ( -5.546 4.121 11.074) 13.053 12.863 ( 0.817 -3.752 -6.849) 7.852 13.026 ( -12.530 -0.336 1.870) 12.673 13.412 ( 3.206 -6.758 6.840) 10.136 13.584 ( 5.169 1.098 2.456) 5.827 13.683 ( 2.113 2.440 1.017) 3.385 13.860 ( 0.033 -0.040 3.809) 3.810 14.263 ( -10.072 -4.247 5.295) 12.146 14.468 ( -0.560 -0.033 -4.619) 4.653 15.025 ( -1.308 -7.179 3.106) 7.931 15.578 ( 3.373 10.141 -2.247) 10.920 16.223 ( 7.614 0.999 -0.591) 7.702 16.536 ( -4.499 -1.664 -3.010) 5.662 16.657 ( 5.207 -0.974 -7.000) 8.779 17.248 ( 1.317 -9.077 -3.054) 9.667 17.756 ( 4.640 -7.351 -0.689) 8.720 19.031 ( -12.235 13.939 14.364) 23.459 19.759 ( -0.257 -0.381 4.186) 4.211 20.255 ( -0.376 1.407 5.487) 5.677 21.416 ( -11.897 -1.158 3.215) 12.378 21.645 ( 13.806 -1.986 -3.772) 14.449 23.236 ( -6.383 12.399 -19.684) 24.123 ======================= Grid point 94 (43/201) ======================= q-point: ( 0.38 0.38 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 11.882 0.000 9.832) 15.422 2.355 ( 18.553 0.000 5.076) 19.235 2.721 ( -10.261 -0.000 -5.282) 11.540 2.960 ( -0.621 -0.000 3.635) 3.687 3.027 ( -1.102 -0.000 5.651) 5.757 3.575 ( -2.605 -0.000 -0.431) 2.640 3.616 ( -10.957 -0.000 13.411) 17.317 3.850 ( 18.097 0.000 -11.210) 21.287 4.613 ( -4.241 -0.000 21.556) 21.969 4.657 ( -0.805 -0.000 -11.416) 11.445 4.885 ( 1.004 0.000 -3.140) 3.297 5.015 ( -2.467 -0.000 5.516) 6.043 5.473 ( -1.477 -0.000 7.370) 7.516 5.633 ( -4.707 -0.000 -3.436) 5.828 6.141 ( -1.916 -0.000 -0.770) 2.065 6.663 ( -0.634 -0.000 -0.886) 1.089 7.378 ( 7.919 0.000 -4.648) 9.182 7.614 ( 1.728 0.000 5.077) 5.363 7.792 ( 3.119 0.000 -5.551) 6.367 8.036 ( -8.852 -0.000 20.521) 22.349 8.037 ( -4.565 -0.000 -1.660) 4.857 8.641 ( -8.792 -0.000 2.364) 9.104 8.796 ( -2.102 -0.000 14.312) 14.465 8.908 ( 8.533 0.000 -14.308) 16.659 9.540 ( 1.042 0.000 1.392) 1.739 9.952 ( -15.639 -0.000 11.105) 19.181 10.030 ( -10.619 -0.000 4.903) 11.697 11.183 ( 4.847 0.000 -6.276) 7.929 11.197 ( 7.767 0.000 -14.416) 16.375 11.821 ( 0.259 0.000 -11.309) 11.312 11.933 ( 1.037 0.000 -2.253) 2.480 12.181 ( 3.188 0.000 27.474) 27.658 12.264 ( 11.192 0.000 -6.068) 12.731 12.701 ( -1.452 -0.000 4.676) 4.896 13.055 ( -2.732 -0.000 0.673) 2.813 13.401 ( 0.529 0.000 -0.599) 0.799 13.588 ( 4.077 0.000 -1.671) 4.406 13.692 ( -5.477 -0.000 9.344) 10.831 13.784 ( -11.870 -0.000 -1.702) 11.991 13.924 ( -0.285 -0.000 4.218) 4.227 14.047 ( -1.359 -0.000 3.857) 4.089 14.282 ( -5.719 -0.000 0.324) 5.728 16.055 ( 1.865 0.000 -11.134) 11.289 16.234 ( 6.246 0.000 -10.434) 12.161 16.610 ( 0.169 0.000 -3.047) 3.052 16.722 ( 5.343 0.000 7.481) 9.193 17.135 ( -18.579 -0.000 5.993) 19.522 17.241 ( -3.494 -0.000 2.936) 4.563 19.760 ( 13.933 0.000 -4.982) 14.797 20.364 ( -6.346 -0.000 6.259) 8.913 20.366 ( 0.749 0.000 1.321) 1.518 21.244 ( -0.274 -0.000 -7.722) 7.727 21.584 ( -0.052 -0.000 8.528) 8.528 23.183 ( 22.860 0.000 -13.477) 26.537 ======================= Grid point 95 (44/201) ======================= q-point: ( 0.50 0.38 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 11.206 4.279 5.090) 13.030 2.556 ( 9.288 0.263 0.174) 9.293 2.577 ( -10.760 0.130 -3.686) 11.375 2.885 ( -0.840 7.850 4.430) 9.053 2.990 ( -9.500 2.632 3.930) 10.613 3.619 ( 1.059 -6.729 0.069) 6.813 3.666 ( -5.677 -10.661 10.255) 15.844 3.827 ( 11.478 12.613 -15.343) 22.939 4.477 ( 1.259 14.080 -4.180) 14.741 4.624 ( -7.291 4.042 20.068) 21.730 5.046 ( 1.520 -14.155 -3.990) 14.785 5.097 ( -2.073 -10.648 6.414) 12.602 5.466 ( -2.971 4.399 6.330) 8.261 5.571 ( -3.792 -2.535 2.963) 5.439 6.166 ( 1.689 -2.564 1.567) 3.447 6.756 ( 0.809 -11.491 -3.751) 12.115 7.255 ( 2.457 23.198 0.604) 23.335 7.646 ( -0.109 7.221 6.707) 9.855 7.687 ( -0.224 6.768 -1.540) 6.945 7.935 ( 0.127 -0.714 -1.033) 1.262 8.143 ( -6.541 -7.465 8.156) 12.846 8.488 ( -4.080 7.359 -0.713) 8.444 8.887 ( 2.521 -2.176 9.802) 10.353 9.067 ( 6.622 -11.682 -6.744) 15.027 9.595 ( -2.744 -2.956 0.559) 4.072 9.850 ( -8.371 -4.374 8.701) 12.842 10.029 ( -12.857 -14.327 2.936) 19.472 11.121 ( 3.600 6.322 -8.257) 11.004 11.228 ( 6.247 -1.293 -12.958) 14.443 11.795 ( -0.156 -3.922 -10.226) 10.953 11.952 ( 1.013 -2.409 -3.187) 4.122 12.338 ( 7.556 1.065 -7.941) 11.013 12.394 ( 4.480 -2.625 24.861) 25.397 12.706 ( -3.186 -0.868 1.939) 3.830 12.997 ( -4.716 0.433 1.687) 5.028 13.371 ( -2.357 0.903 -3.376) 4.215 13.596 ( -1.691 2.633 -3.165) 4.450 13.717 ( -1.259 -2.527 7.455) 7.971 13.746 ( -0.669 -6.975 5.665) 9.010 13.904 ( -0.214 4.218 4.925) 6.488 14.041 ( -4.922 2.083 7.812) 9.466 14.315 ( -0.345 -9.560 0.108) 9.567 15.979 ( 2.170 3.193 -12.142) 12.741 16.266 ( 8.385 0.410 -11.226) 14.018 16.577 ( 0.299 0.977 -5.980) 6.067 16.748 ( -4.452 -1.043 -5.352) 7.039 17.056 ( -8.871 -2.570 14.552) 17.235 17.243 ( -2.751 -3.107 5.231) 6.677 19.842 ( 8.484 3.540 -2.918) 9.645 20.262 ( -5.125 7.838 3.439) 9.976 20.375 ( 0.380 1.089 1.790) 2.129 21.193 ( 4.543 1.776 -6.692) 8.281 21.640 ( -5.395 -2.713 7.988) 10.014 23.359 ( 16.337 -0.737 -8.867) 18.603 ======================= Grid point 96 (45/201) ======================= q-point: (-0.38 0.38 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -12.774 7.659 -0.468) 14.902 2.451 ( 4.507 7.825 0.979) 9.083 2.520 ( 0.748 9.007 -0.490) 9.051 2.797 ( -5.550 6.058 1.270) 8.314 2.904 ( 1.001 -2.583 1.597) 3.197 3.634 ( 6.773 14.543 -4.898) 16.774 3.764 ( 3.407 -6.994 -7.289) 10.661 3.856 ( -4.193 -14.325 5.345) 15.854 4.287 ( 0.808 11.456 2.161) 11.686 4.647 ( -4.708 -5.072 17.691) 18.996 5.203 ( -1.448 -12.029 -2.531) 12.377 5.284 ( 1.343 -1.663 -3.084) 3.753 5.364 ( -9.283 -3.201 8.172) 12.775 5.641 ( -1.688 -6.722 7.483) 10.199 6.238 ( 2.974 0.607 3.891) 4.935 6.760 ( -0.945 29.595 0.969) 29.626 6.973 ( 1.667 -3.784 1.870) 4.538 7.498 ( -2.482 6.090 4.023) 7.709 7.679 ( 0.426 2.324 0.206) 2.372 7.960 ( 1.204 -0.470 -4.690) 4.865 8.166 ( -1.277 1.736 7.608) 7.907 8.398 ( -4.424 -2.668 -0.647) 5.207 8.989 ( 3.456 -1.294 2.729) 4.590 9.163 ( 1.039 0.909 -10.404) 10.495 9.656 ( 7.021 -2.803 0.058) 7.560 9.895 ( -8.631 -9.556 15.068) 19.821 10.244 ( -9.229 -26.574 0.931) 28.146 11.022 ( 2.578 5.978 -6.986) 9.549 11.248 ( 5.620 -1.756 -11.314) 12.755 11.796 ( -3.483 -4.917 -9.471) 11.225 11.977 ( 1.508 -2.776 -7.371) 8.020 12.286 ( 2.894 7.087 -9.803) 12.438 12.594 ( 1.442 -1.838 14.184) 14.376 12.701 ( -2.985 -4.312 6.917) 8.681 12.981 ( -5.195 -3.851 1.057) 6.553 13.317 ( 0.797 2.203 -2.548) 3.461 13.529 ( -0.558 0.507 -3.003) 3.096 13.795 ( 3.995 3.551 7.981) 9.605 13.887 ( -0.227 0.105 5.493) 5.498 13.931 ( 2.082 -11.665 9.992) 15.500 13.998 ( -6.607 -1.666 6.394) 9.344 14.504 ( 2.969 -11.865 2.832) 12.554 15.897 ( 4.115 4.531 -10.674) 12.304 16.283 ( 7.053 1.537 -10.424) 12.679 16.540 ( 2.143 -0.119 -8.675) 8.937 16.633 ( -11.322 -1.643 -7.560) 13.713 17.081 ( -3.235 -0.477 9.352) 9.907 17.342 ( -0.063 -7.530 6.947) 10.246 19.822 ( 2.792 7.601 0.219) 8.100 20.057 ( -6.262 12.358 0.951) 13.887 20.358 ( -0.148 3.010 3.082) 4.311 21.252 ( 8.771 -3.211 -5.944) 11.072 21.607 ( -9.696 0.108 7.684) 12.372 23.470 ( 8.957 0.749 -6.333) 10.995 ======================= Grid point 97 (46/201) ======================= q-point: (-0.25 0.38 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -11.523 14.699 2.931) 18.906 2.258 ( 0.669 18.232 0.515) 18.252 2.472 ( 1.597 2.695 2.456) 3.981 2.629 ( -6.847 3.477 -5.439) 9.410 3.000 ( 2.742 -3.115 1.917) 4.571 3.467 ( 1.178 11.643 1.456) 11.793 3.892 ( 4.955 -6.329 -4.110) 9.028 3.993 ( -2.937 -9.047 -3.097) 10.003 4.220 ( 1.630 2.848 7.724) 8.392 4.838 ( 1.488 -10.238 7.908) 13.022 5.084 ( -12.947 5.897 3.276) 14.599 5.337 ( 1.060 -4.447 -1.499) 4.811 5.462 ( -3.463 -8.387 1.412) 9.183 5.805 ( -3.414 -12.551 6.676) 14.620 6.199 ( 2.929 13.648 4.154) 14.564 6.298 ( -1.851 25.125 8.116) 26.468 7.143 ( 2.471 -10.574 -0.829) 10.891 7.463 ( -3.127 -2.605 5.354) 6.725 7.604 ( 2.891 8.933 -2.011) 9.603 7.859 ( -2.385 7.929 -4.742) 9.542 8.259 ( 2.139 -4.903 10.769) 12.025 8.400 ( -4.936 -5.269 -1.940) 7.476 9.020 ( -6.053 -1.555 1.467) 6.420 9.061 ( 8.553 6.008 -13.054) 16.723 9.740 ( 3.800 -2.099 -1.009) 4.457 10.112 ( 3.147 -5.903 18.014) 19.216 10.487 ( -9.354 -19.974 -4.210) 22.454 10.942 ( 0.517 1.673 -5.168) 5.457 11.305 ( 4.441 -3.740 -3.856) 6.970 11.705 ( -9.675 0.488 -9.058) 13.262 11.995 ( 2.524 -3.162 -10.433) 11.190 12.162 ( 6.758 6.817 -13.440) 16.516 12.629 ( -2.435 -2.877 0.453) 3.796 12.829 ( 2.752 -1.124 9.284) 9.749 12.966 ( -12.340 -5.357 6.018) 14.738 13.303 ( 3.885 1.940 -0.072) 4.343 13.560 ( 4.625 -2.769 -1.951) 5.733 13.802 ( 4.786 6.342 5.955) 9.929 13.904 ( -0.568 2.512 8.261) 8.653 14.031 ( -5.487 -8.000 3.106) 10.186 14.237 ( 4.390 -14.969 10.255) 18.669 14.737 ( 3.017 -11.397 4.690) 12.688 15.824 ( 3.349 5.339 -6.312) 8.920 16.283 ( 5.902 1.672 -7.277) 9.518 16.469 ( -13.369 -2.380 -8.503) 16.021 16.561 ( 8.425 -2.095 -9.770) 13.070 17.103 ( -0.641 -0.936 4.399) 4.542 17.511 ( 2.712 -9.020 3.144) 9.930 19.613 ( -9.036 20.158 5.928) 22.872 19.844 ( -4.156 5.409 -1.203) 6.927 20.330 ( 0.451 3.410 4.379) 5.569 21.343 ( -6.071 -3.617 0.946) 7.130 21.581 ( 6.271 -1.585 0.118) 6.469 23.456 ( 1.186 4.826 -7.014) 8.597 ======================= Grid point 98 (47/201) ======================= q-point: (-0.12 0.38 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -6.211 15.418 3.216) 16.930 2.002 ( 7.716 22.123 2.867) 23.604 2.470 ( -5.771 -2.917 3.373) 7.293 2.553 ( 3.771 -0.887 -2.863) 4.817 3.061 ( 1.127 -0.534 3.841) 4.038 3.347 ( -3.084 5.289 3.482) 7.043 3.932 ( 1.177 3.355 -0.265) 3.565 4.108 ( 6.385 -6.157 -4.000) 9.730 4.263 ( -3.519 -3.411 2.662) 5.577 4.781 ( -5.425 8.003 1.294) 9.755 5.162 ( -1.169 -10.553 7.424) 12.955 5.215 ( -2.007 14.383 2.358) 14.713 5.646 ( -5.123 -20.720 2.695) 21.513 5.864 ( -0.532 2.260 -1.901) 3.000 6.068 ( -0.622 15.881 7.577) 17.607 6.154 ( -0.886 -6.722 7.028) 9.766 7.242 ( -1.118 -4.867 -5.422) 7.371 7.480 ( 1.785 5.540 -0.651) 5.857 7.571 ( -1.803 0.689 -0.911) 2.134 7.712 ( 2.388 2.080 4.200) 5.260 8.342 ( -6.879 -2.917 8.074) 11.001 8.455 ( 1.891 -2.901 0.777) 3.549 8.946 ( -4.705 -1.556 -3.407) 6.013 9.099 ( 7.869 -3.001 -3.742) 9.215 9.805 ( 1.490 -1.489 -0.895) 2.289 10.228 ( 1.065 7.720 18.012) 19.626 10.551 ( -1.901 -8.336 -15.915) 18.066 10.960 ( -5.008 -6.848 3.906) 9.340 11.408 ( 1.689 -2.592 7.708) 8.306 11.503 ( -7.000 2.885 -11.760) 13.987 12.014 ( 3.787 -2.528 -11.071) 11.971 12.098 ( 9.737 5.010 -16.147) 19.510 12.657 ( -1.406 -2.929 0.187) 3.254 12.829 ( -2.126 4.170 1.119) 4.813 12.921 ( -9.165 -0.386 7.550) 11.881 13.373 ( 1.732 -5.331 3.861) 6.806 13.650 ( 5.327 -1.260 -1.451) 5.663 13.789 ( 3.223 5.338 3.202) 7.009 13.905 ( 0.247 2.306 5.995) 6.428 14.103 ( -6.897 -7.657 5.133) 11.513 14.470 ( 2.879 -2.153 1.798) 4.019 14.915 ( -1.601 -7.170 2.838) 7.876 15.747 ( 3.875 6.588 -2.759) 8.125 16.254 ( -4.902 1.432 -2.324) 5.610 16.369 ( -4.588 -5.714 -5.402) 9.104 16.702 ( 12.679 -3.578 -4.735) 13.999 17.171 ( 6.533 -5.424 -4.704) 9.707 17.689 ( 3.911 -8.240 1.140) 9.192 19.191 ( -13.735 19.616 7.207) 25.007 19.758 ( -4.168 0.934 4.215) 6.001 20.319 ( 0.912 2.630 4.869) 5.608 21.247 ( -14.419 -1.338 4.113) 15.053 21.774 ( 17.119 -3.966 -5.274) 18.347 23.274 ( -3.387 11.335 -10.240) 15.647 ======================= Grid point 103 (48/201) ======================= q-point: (-0.50 -0.50 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -13.188 -0.000 -4.649) 13.983 2.599 ( 9.617 0.000 3.268) 10.157 2.631 ( 0.499 0.000 -3.742) 3.775 2.863 ( -6.553 -0.000 2.117) 6.887 3.010 ( -4.193 -0.000 4.105) 5.868 3.552 ( -6.824 -0.000 9.444) 11.651 3.584 ( 1.469 0.000 3.330) 3.640 3.944 ( 7.527 0.000 -16.629) 18.253 4.633 ( 5.956 0.000 -3.539) 6.928 4.717 ( -14.370 -0.000 24.580) 28.473 4.869 ( 1.427 0.000 -5.212) 5.403 5.004 ( -4.611 -0.000 6.496) 7.966 5.496 ( 0.099 0.000 -3.398) 3.400 5.560 ( -0.043 -0.000 12.072) 12.072 6.205 ( 5.965 0.000 0.859) 6.027 6.647 ( 0.611 0.000 -1.222) 1.366 7.458 ( 2.212 0.000 -2.384) 3.252 7.657 ( -1.471 -0.000 0.084) 1.473 7.858 ( 4.785 0.000 -2.302) 5.310 7.936 ( -0.311 -0.000 -2.445) 2.465 7.970 ( -12.296 -0.000 15.883) 20.087 8.541 ( -2.766 -0.000 5.846) 6.467 8.989 ( -1.104 -0.000 24.378) 24.403 9.030 ( 13.511 0.000 -12.549) 18.440 9.454 ( -8.130 -0.000 -4.488) 9.287 9.757 ( -7.638 -0.000 7.594) 10.771 9.836 ( -5.637 -0.000 -3.846) 6.825 11.160 ( 1.630 0.000 -10.482) 10.608 11.188 ( 5.839 0.000 -16.930) 17.909 11.730 ( -1.083 -0.000 -3.100) 3.284 11.921 ( -0.231 -0.000 -3.059) 3.068 12.376 ( 4.317 0.000 -7.242) 8.431 12.532 ( -3.411 -0.000 27.072) 27.286 12.654 ( -5.716 -0.000 -3.050) 6.479 12.937 ( -0.835 -0.000 -1.356) 1.592 13.323 ( -3.862 -0.000 -3.754) 5.386 13.604 ( -0.908 -0.000 -0.977) 1.334 13.725 ( -1.427 -0.000 9.691) 9.796 13.748 ( 6.457 0.000 1.811) 6.707 13.926 ( -4.966 -0.000 7.664) 9.132 14.154 ( 2.922 0.000 12.105) 12.453 14.199 ( 0.383 0.000 -1.454) 1.504 15.961 ( 3.813 0.000 -16.887) 17.312 16.296 ( 6.522 0.000 -10.877) 12.682 16.540 ( -0.998 -0.000 -8.713) 8.770 16.616 ( -8.171 -0.000 -3.181) 8.768 17.099 ( -0.405 -0.000 15.551) 15.557 17.211 ( -1.893 -0.000 3.598) 4.065 19.916 ( 2.372 0.000 -1.541) 2.829 20.269 ( -5.258 -0.000 0.289) 5.266 20.404 ( 1.048 0.000 2.200) 2.437 21.200 ( 3.464 0.000 -6.826) 7.654 21.623 ( -4.670 -0.000 7.758) 9.056 23.482 ( 10.981 0.000 -3.667) 11.577 ======================= Grid point 104 (49/201) ======================= q-point: (-0.38 -0.50 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -16.988 -0.821 -3.644) 17.394 2.517 ( -11.392 0.548 -4.464) 12.248 2.682 ( 9.938 7.025 0.446) 12.179 2.800 ( -6.302 3.907 -0.793) 7.457 2.939 ( 0.096 2.491 3.863) 4.597 3.602 ( -4.938 -9.429 1.319) 10.725 3.657 ( 2.151 -4.684 0.520) 5.180 3.862 ( -2.249 6.429 -6.250) 9.244 4.517 ( -2.634 14.044 11.294) 18.214 4.652 ( -1.465 0.703 10.163) 10.292 5.009 ( 0.224 -10.993 -2.793) 11.345 5.089 ( -5.831 -14.313 6.732) 16.857 5.416 ( 1.102 11.319 -5.399) 12.589 5.644 ( 0.840 -1.462 11.905) 12.024 6.293 ( 5.980 -1.421 3.275) 6.964 6.763 ( 3.258 -11.337 -4.255) 12.540 7.273 ( -2.445 23.327 2.458) 23.583 7.585 ( -6.371 6.694 -1.539) 9.369 7.710 ( -1.026 5.521 7.202) 9.133 7.960 ( 3.957 -0.154 -3.839) 5.515 8.117 ( -1.561 -12.262 4.123) 13.031 8.455 ( 0.018 12.318 6.961) 14.149 9.045 ( -3.682 3.669 15.285) 16.144 9.174 ( 10.638 -1.716 -12.650) 16.617 9.526 ( -7.187 -24.591 7.186) 26.608 9.727 ( -3.794 -0.243 0.277) 3.811 9.875 ( 0.197 -13.780 -1.836) 13.903 11.076 ( 1.220 3.868 -9.468) 10.300 11.188 ( 4.346 -3.537 -17.636) 18.505 11.701 ( -3.995 0.402 1.605) 4.324 11.901 ( -0.894 -1.908 -7.269) 7.568 12.343 ( 0.644 3.669 -6.634) 7.608 12.518 ( -11.678 -3.691 0.906) 12.281 12.666 ( -5.794 -4.595 17.999) 19.459 12.966 ( 6.302 2.168 -0.776) 6.710 13.297 ( -0.043 -4.319 -4.236) 6.050 13.568 ( 1.406 4.362 0.804) 4.653 13.800 ( -1.880 -5.375 7.292) 9.252 13.842 ( 1.282 -4.969 0.591) 5.166 13.930 ( -3.328 -0.889 11.149) 11.669 14.107 ( 4.937 8.607 6.509) 11.866 14.404 ( 5.031 -10.595 7.300) 13.815 15.881 ( 0.469 -0.172 -20.351) 20.357 16.309 ( 4.760 0.495 -6.435) 8.020 16.451 ( -4.679 1.395 -10.601) 11.672 16.563 ( 1.020 -0.010 0.402) 1.097 17.136 ( 0.152 2.654 7.068) 7.551 17.278 ( 0.890 -6.150 4.770) 7.834 19.892 ( -2.390 2.434 0.256) 3.420 20.137 ( -6.326 8.470 -2.105) 10.779 20.417 ( 0.423 1.725 3.697) 4.101 21.236 ( 4.107 -2.617 -5.080) 7.037 21.583 ( -5.684 1.107 5.804) 8.199 23.557 ( 5.009 1.918 0.413) 5.379 ======================= Grid point 105 (50/201) ======================= q-point: (-0.25 -0.50 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -18.930 0.563 -0.141) 18.939 2.376 ( -10.966 -1.960 -1.739) 11.274 2.593 ( -6.506 9.435 -0.685) 11.481 2.639 ( 7.933 11.116 -3.296) 14.048 2.989 ( 1.585 -2.542 1.231) 3.238 3.567 ( -9.771 4.358 -4.956) 11.791 3.776 ( -3.151 -9.171 1.944) 9.890 3.795 ( 0.748 -8.608 0.278) 8.645 4.417 ( 4.469 10.231 8.641) 14.118 4.749 ( -2.406 -7.745 13.642) 15.871 5.105 ( -6.424 10.908 -4.284) 13.364 5.186 ( 0.516 -7.521 -3.934) 8.503 5.289 ( -3.046 -12.832 2.692) 13.461 5.746 ( 1.685 -2.062 10.115) 10.460 6.381 ( 5.007 3.460 3.812) 7.182 6.738 ( -2.444 26.952 1.341) 27.096 7.031 ( 1.703 -5.277 -0.093) 5.546 7.433 ( -4.108 2.757 0.920) 5.032 7.708 ( -1.000 1.262 4.763) 5.028 7.937 ( 1.703 6.131 -3.297) 7.166 8.264 ( -1.606 -6.492 3.097) 7.370 8.346 ( 3.483 5.996 5.108) 8.613 8.965 ( -7.063 3.778 4.331) 9.106 9.198 ( 10.211 4.970 -10.233) 15.286 9.729 ( -0.926 -4.613 0.364) 4.719 9.911 ( -9.526 -25.897 8.580) 28.897 10.154 ( 9.986 -16.073 -2.653) 19.107 10.983 ( -0.052 4.346 -4.070) 5.954 11.222 ( 3.698 -7.335 -13.955) 16.193 11.613 ( -8.312 3.687 3.507) 9.746 11.903 ( 2.252 -4.730 -10.803) 12.006 12.239 ( 2.135 4.495 -11.097) 12.162 12.499 ( -5.921 -7.039 -0.165) 9.200 12.761 ( -9.155 -7.173 14.948) 18.939 12.984 ( 4.838 4.801 2.698) 7.330 13.365 ( 4.411 -0.658 -3.984) 5.980 13.563 ( 3.441 -1.435 0.628) 3.781 13.861 ( -3.570 -5.601 -1.193) 6.748 13.936 ( -1.870 -2.094 8.651) 9.095 13.978 ( -2.523 -0.687 11.087) 11.392 14.167 ( 7.290 -4.942 7.936) 11.855 14.663 ( 6.289 -9.191 7.136) 13.227 15.787 ( -3.068 -3.303 -15.547) 16.188 16.283 ( -6.283 2.489 -10.296) 12.316 16.324 ( 3.043 1.525 -3.846) 5.136 16.629 ( 9.390 -0.619 -0.538) 9.425 17.136 ( 1.656 1.567 1.706) 2.847 17.432 ( 3.802 -8.513 1.651) 9.468 19.779 ( -8.885 11.376 4.606) 15.152 19.862 ( -7.738 9.824 -3.670) 13.033 20.408 ( -0.155 2.760 5.114) 5.813 21.232 ( -7.953 0.648 1.951) 8.215 21.622 ( 7.961 -5.416 -2.292) 9.898 23.529 ( -0.723 6.464 1.780) 6.743 ======================= Grid point 106 (51/201) ======================= q-point: (-0.12 -0.50 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -13.266 1.345 1.957) 13.477 2.292 ( -8.647 -1.883 2.743) 9.265 2.390 ( -1.788 8.841 -0.656) 9.044 2.596 ( 8.178 4.720 -2.476) 9.761 3.035 ( -0.305 -2.908 -0.731) 3.014 3.365 ( -14.261 2.345 5.977) 15.640 3.867 ( -3.507 -7.753 -0.605) 8.531 3.990 ( 6.148 -12.396 -8.327) 16.149 4.353 ( 2.187 11.645 5.924) 13.247 4.804 ( -8.967 5.172 -0.121) 10.352 4.963 ( 0.024 -12.313 9.071) 15.294 5.364 ( 2.531 -9.322 -0.975) 9.709 5.396 ( -3.528 -4.513 2.530) 6.263 5.830 ( -0.454 -1.249 5.683) 5.837 6.289 ( -0.591 18.131 4.594) 18.714 6.349 ( -0.376 16.950 6.470) 18.146 7.130 ( 0.892 -5.174 -6.508) 8.362 7.439 ( -2.071 -4.641 1.285) 5.242 7.668 ( 0.601 5.377 2.538) 5.976 7.824 ( 0.943 7.607 2.406) 8.034 8.277 ( -3.959 -0.412 2.021) 4.464 8.452 ( 4.363 -4.550 7.458) 9.765 8.871 ( -4.427 0.404 -0.295) 4.456 9.177 ( 8.278 4.633 -7.905) 12.348 9.810 ( 2.963 -1.898 0.568) 3.564 10.087 ( -17.813 -18.530 0.014) 25.704 10.436 ( 12.957 -4.575 -6.013) 14.999 10.935 ( 0.329 1.446 4.264) 4.514 11.335 ( 0.390 -9.041 -5.072) 10.374 11.484 ( -2.738 4.240 3.364) 6.066 11.962 ( 5.249 -4.103 -9.862) 11.902 12.168 ( 6.728 2.219 -15.373) 16.927 12.555 ( -2.076 -6.296 -0.617) 6.658 12.806 ( -9.086 -3.223 10.886) 14.541 12.966 ( 2.485 5.956 3.445) 7.315 13.368 ( 1.851 0.801 -0.976) 2.241 13.660 ( 3.862 -3.207 -1.822) 5.340 13.862 ( -2.972 -0.492 -1.323) 3.290 13.973 ( -3.772 -1.230 7.844) 8.790 14.002 ( 0.848 1.634 8.321) 8.522 14.438 ( 3.669 -11.377 6.378) 13.549 14.846 ( 2.916 -3.371 2.342) 5.035 15.745 ( -2.967 -4.415 -8.473) 10.004 16.119 ( -6.663 0.059 -9.715) 11.781 16.345 ( 4.395 0.283 0.721) 4.463 16.779 ( 8.692 -2.542 2.467) 9.386 17.172 ( 8.897 -2.180 -7.737) 11.990 17.623 ( 5.063 -8.728 1.189) 10.160 19.351 ( -16.004 21.309 4.122) 26.966 19.739 ( -5.876 1.383 4.163) 7.333 20.391 ( -1.089 2.621 5.732) 6.396 21.116 ( -9.400 0.759 2.197) 9.683 21.840 ( 13.189 -7.535 -5.335) 16.099 23.376 ( -2.736 11.263 0.033) 11.591 ======================= Grid point 112 (52/201) ======================= q-point: (-0.38 -0.38 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -20.606 -0.000 -3.335) 20.874 2.283 ( -21.280 -0.000 -4.551) 21.761 2.745 ( -6.902 -0.000 -4.470) 8.223 2.876 ( 10.699 0.000 -1.428) 10.793 2.954 ( -1.360 -0.000 3.750) 3.989 3.485 ( -3.622 -0.000 -0.260) 3.631 3.672 ( 1.946 0.000 3.839) 4.304 3.740 ( -19.007 -0.000 -1.861) 19.097 4.612 ( -8.797 -0.000 20.410) 22.225 4.840 ( 1.669 0.000 -5.985) 6.213 4.845 ( 11.902 0.000 0.352) 11.907 4.941 ( -6.262 -0.000 6.052) 8.709 5.565 ( 9.480 0.000 -10.563) 14.193 5.709 ( -0.830 -0.000 15.243) 15.265 6.380 ( 8.154 0.000 0.828) 8.196 6.667 ( 1.804 0.000 -0.768) 1.961 7.424 ( -5.141 -0.000 -1.017) 5.241 7.520 ( -6.765 -0.000 -1.452) 6.920 7.886 ( 2.000 0.000 -1.476) 2.486 7.900 ( -6.177 -0.000 11.429) 12.992 8.038 ( 7.681 0.000 -1.995) 7.936 8.677 ( 2.690 0.000 19.548) 19.732 9.130 ( -10.047 -0.000 -12.083) 15.715 9.190 ( -8.477 -0.000 30.399) 31.559 9.218 ( 12.807 0.000 -10.964) 16.859 9.730 ( 5.127 0.000 -13.238) 14.196 9.754 ( -0.439 -0.000 8.042) 8.054 11.059 ( 0.478 0.000 -11.659) 11.668 11.089 ( 2.501 0.000 -18.387) 18.557 11.688 ( -6.288 -0.000 10.434) 12.183 11.822 ( -2.204 -0.000 -10.032) 10.271 12.325 ( -11.274 -0.000 -4.037) 11.975 12.344 ( -2.196 -0.000 -0.485) 2.249 12.644 ( -6.552 -0.000 14.015) 15.471 13.095 ( 8.427 0.000 2.178) 8.704 13.205 ( -0.434 -0.000 -6.184) 6.200 13.642 ( 0.757 0.000 5.515) 5.567 13.777 ( -2.675 -0.000 -3.258) 4.215 13.782 ( -1.494 -0.000 5.485) 5.685 13.951 ( -2.077 -0.000 9.477) 9.702 14.258 ( 5.093 0.000 -1.093) 5.209 14.471 ( 9.860 0.000 17.797) 20.346 15.719 ( -4.948 -0.000 -22.491) 23.029 16.347 ( 4.684 0.000 -3.599) 5.907 16.358 ( -4.476 -0.000 -13.569) 14.288 16.618 ( 5.399 0.000 7.075) 8.900 17.219 ( 2.475 0.000 1.823) 3.074 17.243 ( 1.983 0.000 2.246) 2.996 19.862 ( -5.937 -0.000 1.431) 6.107 20.116 ( -5.846 -0.000 -4.884) 7.618 20.450 ( -1.231 -0.000 5.405) 5.543 21.258 ( 7.173 0.000 -5.322) 8.931 21.527 ( -9.172 -0.000 4.672) 10.293 23.632 ( 1.057 0.000 7.129) 7.207 ======================= Grid point 113 (53/201) ======================= q-point: (-0.25 -0.38 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -23.483 -3.033 0.409) 23.681 2.058 ( -22.668 -9.218 -3.544) 24.726 2.575 ( -11.472 3.740 -4.587) 12.908 2.849 ( 0.151 4.611 -2.258) 5.137 3.033 ( 9.388 3.868 2.422) 10.438 3.340 ( -23.550 -1.333 -5.389) 24.196 3.627 ( -4.860 -6.305 7.409) 10.875 3.744 ( 2.309 -4.101 1.614) 4.975 4.620 ( -3.449 2.862 15.280) 15.924 4.753 ( 4.347 5.153 -2.448) 7.172 4.992 ( -3.525 -10.612 3.664) 11.767 5.096 ( 5.906 -9.072 1.038) 10.874 5.384 ( 4.085 22.569 -12.933) 26.331 5.805 ( 0.120 -1.980 13.519) 13.664 6.491 ( 7.907 0.130 2.601) 8.325 6.794 ( 3.446 -10.007 -4.826) 11.632 7.186 ( -7.593 18.406 3.161) 20.160 7.416 ( -5.173 2.662 -2.230) 6.231 7.764 ( -0.735 6.294 6.812) 9.304 8.006 ( 1.823 -0.639 -1.027) 2.188 8.158 ( 3.413 -6.996 0.249) 7.788 8.635 ( 1.282 18.842 19.020) 26.803 8.961 ( -5.689 1.681 -7.438) 9.514 9.298 ( 3.268 -2.347 1.462) 4.281 9.399 ( -5.950 -14.400 6.420) 16.852 9.793 ( 7.054 -3.642 -0.338) 7.946 9.984 ( 9.975 -22.383 -1.713) 24.565 10.991 ( -0.647 1.222 -7.606) 7.730 11.072 ( 1.896 -6.499 -10.592) 12.571 11.622 ( -7.857 4.616 8.525) 12.478 11.795 ( 0.514 -5.717 -7.831) 9.709 12.197 ( -4.299 -0.389 -8.879) 9.873 12.353 ( -3.051 -4.842 2.381) 6.198 12.665 ( -6.972 -3.491 12.349) 14.605 13.121 ( 4.378 4.188 1.443) 6.229 13.302 ( 4.377 -9.406 -4.855) 11.454 13.631 ( 0.481 4.648 4.116) 6.227 13.750 ( -3.182 -3.286 -1.752) 4.899 13.832 ( -4.184 -6.387 7.264) 10.539 13.980 ( -3.971 -1.968 7.372) 8.602 14.295 ( 6.876 2.829 1.251) 7.540 14.726 ( 10.942 -3.595 14.547) 18.554 15.573 ( -5.869 -4.134 -16.314) 17.824 16.191 ( -6.263 2.806 -15.300) 16.769 16.371 ( 3.520 0.542 -2.741) 4.494 16.740 ( 6.193 -0.314 8.876) 10.827 17.205 ( 5.268 3.477 -3.458) 7.197 17.371 ( 5.555 -7.504 -0.536) 9.352 19.781 ( -8.373 1.727 4.458) 9.642 19.921 ( -8.267 11.889 -6.331) 15.804 20.449 ( -3.419 0.991 6.930) 7.791 21.229 ( -3.044 7.309 0.130) 7.919 21.555 ( 2.985 -10.842 -2.379) 11.494 23.638 ( -2.311 5.535 11.448) 12.924 ======================= Grid point 114 (54/201) ======================= q-point: (-0.12 -0.38 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -20.145 -8.152 3.728) 22.049 1.986 ( -20.832 -13.917 2.167) 25.147 2.410 ( -6.589 -1.233 -1.832) 6.949 2.765 ( -2.344 3.192 -0.997) 4.084 3.057 ( 6.037 6.024 1.301) 8.627 3.092 ( -22.979 -6.633 -0.082) 23.917 3.723 ( -2.387 -6.766 2.704) 7.667 3.880 ( 7.372 -7.359 -6.026) 12.034 4.609 ( 3.325 9.612 6.700) 12.179 4.677 ( -12.472 0.227 1.446) 12.558 5.018 ( 2.778 9.528 -0.427) 9.934 5.200 ( 1.167 -13.703 1.563) 13.842 5.303 ( 4.258 -5.498 -1.596) 7.135 5.889 ( -0.121 0.345 10.245) 10.252 6.519 ( 4.479 7.963 -0.463) 9.148 6.663 ( -5.281 24.028 1.656) 24.657 7.059 ( 2.070 -3.610 -0.489) 4.191 7.359 ( -1.338 -3.593 -2.485) 4.569 7.726 ( -2.091 3.164 5.056) 6.321 7.960 ( 1.279 7.319 -0.621) 7.456 8.275 ( 0.738 -1.849 4.915) 5.303 8.524 ( 0.439 5.753 13.177) 14.384 8.850 ( -2.805 1.534 -4.933) 5.878 9.311 ( 5.474 5.987 -3.741) 8.933 9.571 ( -10.426 -19.368 2.416) 22.129 9.889 ( 3.283 1.200 2.105) 4.080 10.412 ( 16.099 -14.327 -17.876) 28.000 10.955 ( -0.302 -1.737 -1.457) 2.287 11.239 ( 6.536 -7.587 6.893) 12.157 11.525 ( -3.321 2.559 4.725) 6.316 11.902 ( 5.691 -7.425 -4.104) 10.216 12.141 ( 1.753 -1.781 -13.030) 13.267 12.442 ( -0.165 -7.514 1.917) 7.757 12.711 ( -6.938 -4.833 11.808) 14.523 13.106 ( 3.229 5.895 1.828) 6.966 13.400 ( 2.195 0.448 -4.394) 4.932 13.627 ( 0.388 -2.819 -2.487) 3.779 13.777 ( -1.782 -3.480 1.180) 4.084 13.942 ( -4.780 -4.465 8.343) 10.601 14.013 ( -3.607 -7.438 9.299) 12.442 14.380 ( 6.815 -3.817 2.389) 8.169 14.921 ( 7.468 1.362 5.929) 9.632 15.545 ( -4.125 -8.356 -6.985) 11.646 15.999 ( -5.518 0.776 -15.860) 16.810 16.404 ( 4.131 -0.796 0.107) 4.208 16.837 ( -0.186 -0.789 7.637) 7.680 17.241 ( 13.688 0.399 -9.085) 16.433 17.567 ( 6.850 -8.535 0.024) 10.944 19.485 ( -17.731 21.071 2.878) 27.688 19.707 ( -6.270 1.101 3.392) 7.213 20.416 ( -5.775 1.297 7.284) 9.386 21.089 ( -2.903 4.449 -0.149) 5.314 21.795 ( 8.880 -12.061 -5.192) 15.852 23.540 ( -2.576 11.351 10.569) 15.722 ======================= Grid point 121 (55/201) ======================= q-point: (-0.25 -0.25 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -26.805 -0.000 2.854) 26.956 1.634 ( -29.820 -0.000 -4.305) 30.129 2.372 ( -25.399 -0.000 1.142) 25.425 2.817 ( -4.697 -0.000 -1.631) 4.972 2.991 ( -27.894 -0.000 -0.941) 27.910 3.249 ( 14.579 0.000 -0.116) 14.580 3.597 ( 1.096 0.000 6.903) 6.989 3.736 ( 0.879 0.000 1.424) 1.673 4.636 ( -5.649 -0.000 4.816) 7.423 4.805 ( -2.261 -0.000 -1.450) 2.686 4.906 ( 1.846 0.000 1.421) 2.329 5.159 ( 12.710 0.000 1.719) 12.825 5.625 ( 11.560 0.000 -23.752) 26.415 5.812 ( -5.272 -0.000 15.526) 16.397 6.615 ( 9.316 0.000 4.102) 10.179 6.697 ( 1.061 0.000 -0.619) 1.228 7.197 ( -9.189 -0.000 -2.348) 9.484 7.408 ( -5.068 -0.000 1.889) 5.409 7.908 ( -4.341 -0.000 12.166) 12.918 7.934 ( 4.382 0.000 -5.373) 6.933 8.186 ( 5.067 0.000 2.673) 5.729 8.776 ( -6.152 -0.000 -16.778) 17.870 9.061 ( 5.686 0.000 30.361) 30.889 9.274 ( -5.720 -0.000 18.726) 19.580 9.352 ( 8.112 0.000 -10.011) 12.885 9.751 ( 4.664 0.000 -7.584) 8.903 9.909 ( 5.072 0.000 9.467) 10.740 10.942 ( -1.909 -0.000 -6.009) 6.304 11.004 ( 2.350 0.000 2.731) 3.603 11.656 ( 2.747 0.000 -18.041) 18.249 11.664 ( -10.538 -0.000 22.500) 24.846 12.104 ( -1.305 -0.000 -9.793) 9.880 12.297 ( -3.839 -0.000 4.767) 6.121 12.626 ( -6.618 -0.000 11.931) 13.643 13.190 ( 5.174 0.000 -6.861) 8.593 13.256 ( 2.774 0.000 2.196) 3.538 13.649 ( -3.779 -0.000 -4.929) 6.211 13.718 ( -0.732 -0.000 6.859) 6.898 13.792 ( -2.518 -0.000 7.447) 7.861 13.919 ( -7.047 -0.000 3.691) 7.955 14.397 ( 7.432 0.000 -0.563) 7.453 14.936 ( 12.293 0.000 16.959) 20.945 15.395 ( -5.221 -0.000 -11.887) 12.983 16.032 ( -8.160 -0.000 -19.871) 21.481 16.389 ( 1.892 0.000 -2.120) 2.842 16.828 ( -0.979 -0.000 10.479) 10.525 17.338 ( 14.819 0.000 -10.075) 17.920 17.347 ( 4.938 0.000 1.481) 5.155 19.716 ( -9.413 -0.000 5.843) 11.079 19.895 ( -6.376 -0.000 -8.816) 10.880 20.436 ( -6.901 -0.000 8.023) 10.583 21.331 ( -8.662 -0.000 0.134) 8.663 21.405 ( 9.048 0.000 -3.356) 9.650 23.744 ( -2.265 -0.000 20.118) 20.245 ======================= Grid point 122 (56/201) ======================= q-point: (-0.12 -0.25 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -26.366 -8.822 7.231) 28.727 1.443 ( -26.809 -21.665 -0.602) 34.474 2.103 ( -34.581 -11.300 14.037) 38.995 2.673 ( -13.665 3.700 -1.093) 14.199 2.798 ( -9.321 -3.696 -1.813) 10.189 3.325 ( 12.628 8.928 -1.456) 15.533 3.660 ( 0.397 -2.043 3.169) 3.792 3.837 ( 6.474 -7.854 -3.580) 10.789 4.514 ( -13.933 1.540 -1.215) 14.070 4.773 ( 0.188 3.104 -3.890) 4.980 5.010 ( 3.633 -8.044 2.221) 9.102 5.300 ( 6.722 4.397 4.219) 9.073 5.353 ( 5.085 17.011 -12.099) 21.485 5.894 ( -4.627 -4.525 10.907) 12.682 6.653 ( 5.139 4.910 -4.649) 8.493 6.834 ( 2.154 0.184 -0.433) 2.205 7.060 ( -4.029 1.026 4.041) 5.798 7.302 ( -3.709 3.606 -0.635) 5.211 7.813 ( -0.241 7.270 3.735) 8.177 8.024 ( 0.500 -0.974 -0.211) 1.115 8.282 ( 4.991 -2.872 3.490) 6.734 8.697 ( -5.737 -7.410 -10.461) 14.044 8.835 ( -4.691 27.541 20.870) 34.872 9.336 ( -3.805 -4.909 13.044) 14.447 9.449 ( 6.325 3.434 -6.484) 9.687 9.990 ( 7.767 0.351 2.337) 8.119 10.172 ( 13.082 -27.050 -20.733) 36.506 10.901 ( -1.834 -1.807 -0.073) 2.576 11.297 ( 15.402 -13.840 16.490) 26.471 11.542 ( -0.555 4.464 -2.967) 5.389 11.842 ( 3.743 -12.507 20.920) 24.660 12.060 ( 1.526 -1.345 -10.720) 10.912 12.346 ( -0.004 -8.506 5.230) 9.985 12.640 ( -6.501 -3.190 12.909) 14.802 13.218 ( 3.448 2.981 0.265) 4.566 13.344 ( 3.838 -7.880 -5.484) 10.339 13.575 ( -2.893 0.510 -5.730) 6.440 13.748 ( -0.874 -1.061 3.373) 3.643 13.847 ( -1.396 -8.431 16.618) 18.687 13.894 ( -7.000 -3.968 4.260) 9.105 14.471 ( 7.846 1.321 -0.175) 7.958 15.098 ( 7.109 5.615 6.784) 11.317 15.368 ( -1.320 -7.883 -1.658) 8.163 15.810 ( -9.122 -1.108 -22.703) 24.492 16.413 ( 1.870 -2.048 -0.455) 2.810 16.829 ( -5.599 -0.078 5.156) 7.612 17.389 ( 12.268 1.869 -3.377) 12.861 17.549 ( 12.118 -6.152 -3.935) 14.148 19.575 ( -17.804 14.579 6.528) 23.920 19.676 ( -4.936 4.475 -2.295) 7.047 20.379 ( -9.134 0.326 7.351) 11.729 21.156 ( -0.863 6.755 -0.961) 6.877 21.653 ( 7.072 -15.160 -4.182) 17.243 23.769 ( -0.309 10.941 20.580) 23.310 ======================= Grid point 130 (57/201) ======================= q-point: (-0.12 -0.12 0.09) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -27.925 -0.000 19.013) 33.783 0.844 ( -33.615 -0.000 1.007) 33.630 1.616 ( -50.075 -0.000 34.604) 60.868 2.561 ( -7.720 -0.000 -3.130) 8.331 2.706 ( -2.824 -0.000 -0.943) 2.977 3.509 ( 9.204 0.000 -6.587) 11.318 3.732 ( 4.106 0.000 4.178) 5.858 3.746 ( -0.160 -0.000 0.688) 0.706 4.318 ( -17.418 -0.000 -13.134) 21.815 4.738 ( -3.553 -0.000 3.371) 4.897 5.044 ( 9.330 0.000 -2.740) 9.724 5.380 ( 7.236 0.000 -7.909) 10.720 5.592 ( 4.047 0.000 -16.482) 16.972 5.785 ( -11.050 -0.000 14.078) 17.897 6.698 ( 0.069 0.000 -1.334) 1.336 6.840 ( 4.611 0.000 3.908) 6.044 7.017 ( -5.000 -0.000 0.929) 5.086 7.318 ( -4.612 -0.000 3.833) 5.997 7.947 ( 3.492 0.000 -7.638) 8.399 7.955 ( -4.192 -0.000 13.076) 13.731 8.334 ( 2.930 0.000 -1.645) 3.361 8.542 ( 0.525 0.000 -3.937) 3.972 9.323 ( -1.417 -0.000 -0.989) 1.728 9.384 ( 4.606 0.000 -10.144) 11.141 9.460 ( 8.874 0.000 0.313) 8.880 9.766 ( -0.328 -0.000 7.142) 7.149 10.121 ( 4.388 0.000 4.415) 6.224 10.869 ( -3.529 -0.000 5.387) 6.440 11.355 ( 6.107 0.000 2.440) 6.576 11.593 ( 10.687 0.000 -22.523) 24.930 12.021 ( 3.406 0.000 -6.795) 7.601 12.187 ( 30.684 0.000 93.767) 98.660 12.259 ( -3.977 -0.000 4.464) 5.979 12.625 ( -4.003 -0.000 20.138) 20.532 13.268 ( -1.172 -0.000 -2.326) 2.604 13.290 ( 8.434 0.000 -4.232) 9.436 13.516 ( -2.027 -0.000 -6.725) 7.023 13.755 ( 0.167 0.000 2.084) 2.091 13.755 ( -8.114 -0.000 2.325) 8.441 13.940 ( 5.738 0.000 32.473) 32.976 14.568 ( 7.358 0.000 -1.218) 7.458 15.225 ( -3.369 -0.000 -1.899) 3.867 15.316 ( 5.022 0.000 3.877) 6.344 15.511 ( -15.039 -0.000 -25.937) 29.982 16.404 ( 0.463 0.000 -0.156) 0.489 16.776 ( -5.746 -0.000 1.293) 5.889 17.485 ( 4.079 0.000 3.392) 5.305 17.671 ( 19.205 0.000 -7.891) 20.763 19.546 ( -12.454 -0.000 7.250) 14.411 19.685 ( -2.536 -0.000 -1.270) 2.836 20.302 ( -9.647 -0.000 5.930) 11.324 21.194 ( -2.536 -0.000 0.184) 2.543 21.572 ( 7.027 0.000 -2.316) 7.399 24.036 ( 6.820 0.000 14.651) 16.161 ======================= Grid point 131 (58/201) ======================= q-point: ( 0.00 0.00 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 0.759 0.000 31.318) 31.327 1.390 ( -4.293 -0.000 31.495) 31.786 2.220 ( -13.836 -0.000 45.904) 47.944 2.548 ( 3.906 0.000 4.186) 5.726 2.721 ( 2.548 0.000 1.826) 3.135 3.225 ( 0.834 0.000 -14.110) 14.135 3.771 ( 1.758 0.000 -2.116) 2.751 3.979 ( 6.166 0.000 2.503) 6.655 4.321 ( 9.459 0.000 8.660) 12.825 4.861 ( -0.252 -0.000 6.259) 6.264 5.106 ( -2.490 -0.000 -7.482) 7.886 5.164 ( 0.061 0.000 2.242) 2.243 5.527 ( -6.767 -0.000 5.829) 8.932 5.866 ( -15.228 -0.000 12.962) 19.997 6.627 ( 1.122 0.000 -3.324) 3.508 6.863 ( -7.727 -0.000 0.325) 7.734 7.086 ( 0.394 0.000 6.848) 6.859 7.405 ( -5.167 -0.000 5.599) 7.619 7.841 ( 6.293 0.000 -7.519) 9.805 8.012 ( 0.905 0.000 -9.873) 9.914 8.200 ( -5.418 -0.000 15.559) 16.475 8.928 ( 11.944 0.000 -5.704) 13.236 9.050 ( -0.242 -0.000 -12.997) 12.999 9.176 ( 0.130 0.000 2.131) 2.135 9.516 ( -11.089 -0.000 13.344) 17.351 10.016 ( 8.163 0.000 4.202) 9.181 10.291 ( 4.608 0.000 7.621) 8.906 10.849 ( -3.149 -0.000 -9.676) 10.176 11.078 ( -0.899 -0.000 -12.524) 12.557 11.464 ( 11.665 0.000 -1.264) 11.734 11.945 ( 0.663 0.000 -1.867) 1.981 12.054 ( 2.692 0.000 -15.576) 15.807 12.823 ( -6.035 -0.000 10.610) 12.206 13.074 ( -7.061 -0.000 1.703) 7.264 13.284 ( 0.386 0.000 -6.311) 6.323 13.445 ( -17.813 -0.000 -4.656) 18.412 13.508 ( 6.578 0.000 4.430) 7.930 13.686 ( 0.495 0.000 -1.058) 1.169 13.835 ( 0.360 0.000 13.206) 13.210 14.383 ( -24.970 -0.000 10.894) 27.243 14.593 ( 1.737 0.000 -3.919) 4.287 15.080 ( -9.400 -0.000 -9.902) 13.653 15.358 ( 4.198 0.000 8.884) 9.825 16.120 ( 36.444 0.000 9.420) 37.642 16.385 ( -0.972 -0.000 -0.355) 1.035 16.611 ( -0.621 -0.000 -6.797) 6.826 17.490 ( -9.600 -0.000 -1.696) 9.749 17.876 ( 16.134 0.000 -6.167) 17.272 19.202 ( -21.201 -0.000 -3.281) 21.454 20.303 ( 43.390 0.000 -13.841) 45.544 20.330 ( -3.674 -0.000 6.819) 7.746 21.327 ( 2.960 0.000 7.303) 7.880 21.565 ( 4.093 0.000 -6.455) 7.643 22.478 ( -67.040 -0.000 -5.813) 67.292 ======================= Grid point 132 (59/201) ======================= q-point: ( 0.12 0.00 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -0.382 6.254 28.194) 28.882 1.506 ( 0.235 -5.435 27.691) 28.220 2.482 ( 7.125 -4.636 22.391) 23.950 2.692 ( 0.893 -6.544 11.754) 13.483 2.790 ( 6.109 -5.620 6.582) 10.594 3.157 ( 0.083 -0.789 -12.798) 12.822 3.776 ( 1.729 -0.278 -2.958) 3.438 4.064 ( 2.345 -1.472 5.401) 6.069 4.428 ( 9.413 6.283 2.526) 11.595 4.863 ( -0.497 3.358 -1.030) 3.547 4.976 ( -7.333 2.603 5.581) 9.576 5.277 ( 0.164 -11.555 -3.111) 11.968 5.519 ( -3.943 -3.987 9.996) 11.461 5.779 ( -13.707 -1.604 10.534) 17.361 6.544 ( -1.009 6.657 -0.305) 6.740 6.847 ( -4.079 -3.020 -0.908) 5.156 7.095 ( -2.707 2.094 7.536) 8.276 7.359 ( -0.268 2.840 3.552) 4.556 7.797 ( -4.254 11.559 -3.619) 12.837 7.985 ( 6.636 -2.079 -5.027) 8.581 8.121 ( -0.802 8.042 7.475) 11.009 8.877 ( -1.047 5.814 -16.880) 17.884 9.086 ( -3.444 8.931 9.563) 13.531 9.215 ( 4.877 -17.698 -6.622) 19.516 9.631 ( -8.504 -15.886 11.945) 21.619 10.059 ( 2.679 6.817 7.237) 10.296 10.438 ( 10.810 -2.151 8.621) 13.993 10.808 ( -0.270 -5.244 -10.829) 12.035 11.038 ( -0.195 -5.096 -14.120) 15.013 11.606 ( 8.434 -3.107 -1.488) 9.111 11.904 ( -0.183 3.609 -2.231) 4.247 11.990 ( 1.282 1.911 -13.616) 13.809 12.816 ( -4.038 -0.155 6.908) 8.003 12.904 ( -13.529 7.221 5.695) 16.358 13.145 ( -15.990 5.074 -0.150) 16.777 13.326 ( 2.118 -7.419 -4.957) 9.170 13.609 ( 2.773 -2.975 4.475) 6.047 13.736 ( -0.094 -2.357 -1.506) 2.799 13.894 ( -0.304 0.692 12.590) 12.612 14.240 ( -16.110 -3.738 13.018) 21.047 14.552 ( -3.717 2.939 0.679) 4.787 14.937 ( -13.137 -5.535 -6.223) 15.555 15.480 ( 8.809 -0.550 6.948) 11.232 16.341 ( 4.657 4.473 2.585) 6.956 16.505 ( 9.126 -0.057 0.122) 9.127 16.562 ( 4.793 -1.111 -4.363) 6.576 17.345 ( -7.523 2.763 -5.671) 9.818 17.962 ( 10.781 5.946 -2.679) 12.600 18.980 ( -14.342 -2.452 -4.561) 15.248 20.280 ( 8.380 12.925 2.807) 15.658 20.457 ( 11.902 15.596 -0.930) 19.640 21.435 ( 5.961 -1.483 1.969) 6.451 21.610 ( -0.100 -0.665 -3.306) 3.373 22.071 ( -29.718 -32.315 -6.672) 44.407 ======================= Grid point 133 (60/201) ======================= q-point: ( 0.25 0.00 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 2.022 0.089 19.814) 19.917 1.777 ( 5.797 -8.220 19.792) 22.201 2.655 ( 9.621 3.954 5.486) 11.760 2.711 ( -0.787 4.636 4.575) 6.561 3.110 ( 3.787 -7.726 8.963) 12.424 3.138 ( 3.165 -6.291 -7.874) 10.563 3.790 ( 3.200 -1.104 -6.415) 7.254 4.119 ( -1.591 -1.327 6.224) 6.560 4.375 ( -3.234 7.878 0.196) 8.518 4.840 ( 4.000 -5.226 -0.193) 6.584 4.961 ( -8.465 -1.940 18.635) 20.560 5.440 ( -0.355 -13.964 -5.091) 14.868 5.576 ( -7.193 2.977 11.318) 13.737 5.769 ( -4.465 -10.523 7.981) 13.942 6.449 ( -4.530 5.756 5.746) 9.310 6.710 ( -0.066 20.192 7.118) 21.410 7.104 ( -6.372 -8.983 -0.671) 11.033 7.382 ( 5.498 1.963 0.936) 5.912 7.498 ( -4.670 14.556 -1.876) 15.402 7.995 ( 0.323 4.623 6.510) 7.991 8.198 ( 8.003 -8.817 -7.156) 13.893 8.649 ( -3.895 10.114 -9.669) 14.524 8.976 ( -4.947 3.589 1.108) 6.212 9.405 ( 3.497 -4.395 -3.225) 6.477 9.704 ( -7.708 3.572 4.430) 9.581 10.134 ( -3.097 -13.703 12.911) 19.080 10.581 ( 12.817 7.930 -0.027) 15.072 10.909 ( 1.037 -12.972 -4.919) 13.913 11.047 ( -1.375 -7.422 -15.329) 17.086 11.709 ( 8.210 0.646 -3.047) 8.781 11.846 ( -3.292 3.882 3.325) 6.079 11.889 ( 3.483 2.152 -10.425) 11.201 12.698 ( -7.440 2.759 -1.714) 8.119 12.830 ( -5.928 -1.826 11.505) 13.071 12.946 ( -6.840 3.885 -1.103) 7.944 13.459 ( 3.453 -8.366 -6.093) 10.910 13.688 ( -1.615 2.647 -0.014) 3.101 13.714 ( -1.095 -2.801 5.894) 6.617 13.963 ( 0.806 -0.870 9.695) 9.767 14.241 ( -9.398 -8.440 8.401) 15.170 14.445 ( -7.408 4.881 7.096) 11.361 14.861 ( -12.859 -7.655 -3.856) 15.454 15.630 ( 9.442 -0.936 1.144) 9.557 16.281 ( -3.683 5.924 -3.165) 7.660 16.436 ( -0.087 2.458 -2.386) 3.427 16.742 ( 10.432 -1.585 4.178) 11.349 17.193 ( -0.064 5.619 -10.134) 11.588 17.945 ( 3.879 6.302 0.641) 7.428 18.916 ( -4.315 -5.769 -2.507) 7.628 20.140 ( 5.354 17.857 5.785) 19.519 20.398 ( -1.585 0.933 6.328) 6.590 21.355 ( -17.045 -0.074 5.136) 17.802 21.712 ( 18.493 0.808 -7.710) 20.052 22.368 ( 0.533 -29.852 -13.977) 32.966 ======================= Grid point 134 (61/201) ======================= q-point: ( 0.38 0.00 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 3.494 -2.769 11.228) 12.081 2.091 ( 9.833 -10.387 12.217) 18.810 2.563 ( -3.337 10.581 1.135) 11.152 2.707 ( 3.760 5.475 2.948) 7.267 3.108 ( -1.081 2.534 -2.972) 4.052 3.326 ( 1.933 -7.582 2.216) 8.133 3.810 ( 3.234 -1.959 -9.978) 10.671 4.105 ( 2.500 7.193 -10.888) 13.287 4.219 ( -10.711 -2.404 10.169) 14.964 4.927 ( -1.183 3.086 9.020) 9.606 5.167 ( -2.103 -19.135 19.205) 27.192 5.437 ( -5.887 8.449 5.230) 11.550 5.635 ( -2.009 -16.052 1.357) 16.234 5.980 ( -1.773 -9.866 9.408) 13.747 6.205 ( -5.560 21.376 9.761) 24.148 6.502 ( -6.512 10.705 14.261) 18.983 7.135 ( -0.399 1.447 -4.928) 5.152 7.256 ( -2.065 0.354 -6.772) 7.088 7.489 ( 5.745 -2.175 -0.686) 6.181 7.999 ( 2.394 2.065 5.332) 6.199 8.337 ( 2.376 1.446 -4.653) 5.421 8.484 ( -0.513 -4.922 -3.647) 6.147 8.873 ( -2.725 3.094 -3.101) 5.159 9.354 ( 1.977 17.526 3.933) 18.070 9.599 ( -6.039 -7.554 -6.580) 11.697 10.322 ( -7.513 -6.936 4.755) 11.276 10.535 ( 9.008 12.540 -3.658) 15.868 11.016 ( -0.732 -5.443 -3.753) 6.652 11.121 ( -1.612 -12.538 -3.931) 13.238 11.698 ( 3.305 8.264 -10.737) 13.946 11.798 ( 11.204 3.753 -0.246) 11.818 11.947 ( 1.590 -4.522 4.521) 6.589 12.602 ( -1.854 1.925 -4.161) 4.945 12.851 ( -5.952 -3.985 2.558) 7.605 12.892 ( -0.187 -1.872 5.925) 6.217 13.513 ( -0.843 0.245 -6.217) 6.279 13.591 ( -0.685 4.029 -2.759) 4.931 13.808 ( -1.033 -5.667 5.030) 7.648 14.032 ( -0.189 -0.720 9.686) 9.714 14.323 ( -3.972 3.438 5.762) 7.797 14.356 ( -10.092 -11.103 9.625) 17.826 14.807 ( -10.346 -6.077 -2.855) 12.333 15.696 ( 5.218 2.498 -6.676) 8.833 16.084 ( -5.794 6.544 -7.709) 11.655 16.450 ( 4.698 1.001 4.157) 6.352 16.874 ( 0.698 -3.354 4.864) 5.949 17.085 ( 11.160 8.044 -13.111) 19.004 17.893 ( 0.191 4.863 2.095) 5.299 18.991 ( 0.222 -7.367 0.556) 7.392 19.999 ( -0.562 10.175 8.211) 13.087 20.431 ( -0.674 -2.037 5.920) 6.297 21.187 ( -14.843 0.524 3.983) 15.377 21.852 ( 15.776 2.352 -7.433) 17.597 22.728 ( 6.415 -22.699 -11.143) 26.088 ======================= Grid point 135 (62/201) ======================= q-point: (-0.50 0.00 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -0.071 3.217 7.912) 8.541 2.342 ( -7.701 10.173 1.185) 12.815 2.425 ( 10.478 -8.592 6.634) 15.087 2.651 ( 1.412 5.582 1.220) 5.885 3.015 ( -4.767 2.298 -2.049) 5.674 3.371 ( -7.821 0.902 2.366) 8.221 3.789 ( 0.069 -0.220 -8.412) 8.415 3.974 ( 5.293 5.735 -10.710) 13.252 4.263 ( -3.744 -6.227 5.736) 9.257 4.894 ( -3.829 3.751 9.900) 11.258 5.279 ( -3.483 8.547 4.373) 10.213 5.497 ( -2.275 -13.585 14.545) 20.032 5.743 ( -3.974 26.287 11.648) 29.025 5.870 ( -4.649 -15.481 8.941) 18.472 6.231 ( -4.873 -3.835 5.545) 8.319 6.364 ( -6.457 -1.890 12.779) 14.441 7.075 ( 4.600 3.871 -3.842) 7.135 7.276 ( -0.262 -5.859 -5.981) 8.376 7.585 ( 1.786 -6.376 -3.517) 7.497 7.983 ( 1.836 7.296 -0.243) 7.527 8.297 ( 2.059 0.064 1.343) 2.459 8.650 ( 1.953 -11.105 1.032) 11.323 8.810 ( -2.428 -1.051 -1.978) 3.303 9.112 ( 2.737 15.069 -4.050) 15.842 9.666 ( -2.417 -10.129 -3.197) 10.893 10.188 ( -7.911 11.267 2.541) 13.999 10.418 ( 7.795 12.109 -8.558) 16.752 11.085 ( -1.926 -4.062 2.473) 5.130 11.248 ( 1.471 -6.259 -3.942) 7.542 11.599 ( 5.800 4.178 -5.040) 8.746 11.824 ( 11.104 6.435 -12.335) 17.801 12.076 ( 1.330 -4.148 10.292) 11.175 12.545 ( 0.516 2.162 -2.130) 3.079 12.871 ( -4.420 -5.147 0.989) 6.856 12.996 ( 2.831 -4.193 6.805) 8.480 13.421 ( -0.943 6.548 0.349) 6.625 13.520 ( -1.170 -1.111 -11.700) 11.810 13.888 ( -0.814 -2.226 4.277) 4.890 14.077 ( -4.187 -1.301 9.212) 10.202 14.242 ( -6.838 2.464 11.498) 13.603 14.465 ( -4.819 -8.597 -1.620) 9.988 14.804 ( -3.399 -6.723 1.301) 7.645 15.621 ( 1.100 5.200 -8.453) 9.985 15.900 ( -2.340 7.038 -7.800) 10.764 16.529 ( 5.338 0.649 4.144) 6.789 16.866 ( -7.531 -2.254 -4.289) 8.955 17.124 ( 19.371 5.179 -5.655) 20.833 17.829 ( -1.705 4.293 2.251) 5.138 19.119 ( 0.425 -7.680 3.510) 8.455 19.908 ( -3.884 5.545 8.883) 11.168 20.490 ( -2.673 -3.175 6.666) 7.852 21.055 ( -9.342 -0.041 2.455) 9.660 21.917 ( 11.150 5.073 -6.779) 14.000 23.060 ( 6.409 -19.275 -7.636) 21.700 ======================= Grid point 136 (63/201) ======================= q-point: (-0.38 0.00 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -7.279 13.487 9.086) 17.817 2.078 ( -12.657 12.596 3.909) 18.280 2.493 ( -1.639 4.286 4.984) 6.774 2.737 ( 4.545 -2.024 -0.339) 4.987 2.976 ( 1.966 -6.296 -3.870) 7.648 3.150 ( -16.057 12.106 7.611) 21.502 3.763 ( 0.863 -0.673 -5.698) 5.803 3.905 ( 3.034 6.211 -2.231) 7.264 4.334 ( -2.048 -4.195 -0.924) 4.759 4.847 ( -2.447 3.775 6.899) 8.236 5.159 ( -4.360 5.038 6.944) 9.623 5.458 ( 0.228 15.907 8.361) 17.972 5.598 ( -4.806 5.237 13.026) 14.839 6.007 ( -4.170 -6.394 9.253) 11.996 6.309 ( -3.890 -17.735 1.721) 18.238 6.491 ( -5.041 -8.263 8.070) 12.603 7.086 ( 3.321 -1.373 -0.338) 3.610 7.336 ( 3.668 -1.518 -2.529) 4.707 7.683 ( -3.790 -10.118 -0.671) 10.826 7.857 ( 0.094 6.864 -4.471) 8.192 8.328 ( 5.372 2.925 -9.149) 11.005 8.782 ( -0.199 1.231 6.930) 7.041 8.844 ( -3.226 -8.163 10.741) 13.871 9.037 ( 7.467 -4.515 -13.998) 16.495 9.777 ( -3.371 -7.196 4.199) 8.988 9.966 ( -0.072 11.836 6.717) 13.610 10.248 ( 7.052 14.758 -14.418) 21.804 11.095 ( -2.885 -0.436 1.422) 3.246 11.279 ( 10.522 5.548 -8.907) 14.861 11.633 ( 3.892 3.036 1.089) 5.054 11.767 ( 5.716 0.505 -16.287) 17.269 12.177 ( -0.473 -2.564 3.377) 4.267 12.554 ( 5.490 0.767 5.307) 7.674 12.905 ( -5.155 -6.294 1.992) 8.376 13.131 ( 5.886 -1.361 8.086) 10.094 13.316 ( -2.376 3.438 -3.061) 5.180 13.499 ( 2.441 -1.824 -7.585) 8.175 13.877 ( -3.714 3.194 4.053) 6.358 14.055 ( -9.556 -0.440 6.978) 11.841 14.253 ( -0.938 -3.647 8.211) 9.033 14.502 ( 4.697 -0.718 -2.904) 5.569 14.925 ( -1.139 -9.126 4.404) 10.197 15.526 ( 0.864 4.033 -3.865) 5.653 15.708 ( -1.850 10.369 -8.707) 13.666 16.569 ( 3.954 4.089 2.191) 6.096 16.779 ( -6.146 -2.171 -8.016) 10.332 17.268 ( 16.545 0.849 -3.428) 16.918 17.752 ( -3.099 3.867 1.823) 5.280 19.261 ( -0.049 -7.861 6.351) 10.106 19.824 ( -7.538 3.814 8.060) 11.676 20.505 ( -8.881 -2.108 7.959) 12.110 21.024 ( -0.019 -2.337 0.577) 2.407 21.889 ( 6.951 8.226 -5.958) 12.307 23.347 ( 2.320 -17.811 -7.692) 19.539 ======================= Grid point 137 (64/201) ======================= q-point: (-0.25 0.00 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( -11.379 17.351 14.688) 25.422 1.715 ( -17.543 17.183 13.484) 28.014 2.472 ( 0.198 0.281 1.541) 1.579 2.701 ( -8.692 6.376 11.772) 15.961 2.781 ( -16.318 14.965 14.219) 26.314 3.157 ( 8.983 -8.851 -10.250) 16.251 3.757 ( 2.646 -0.174 -8.001) 8.429 3.860 ( 1.382 4.142 7.566) 8.736 4.292 ( -5.197 2.420 -0.774) 5.784 4.818 ( -0.747 1.529 5.473) 5.731 5.119 ( -4.010 -1.346 3.226) 5.320 5.330 ( 3.904 11.439 3.769) 12.661 5.517 ( -2.484 4.630 11.306) 12.467 6.086 ( -8.556 -4.192 8.839) 12.996 6.474 ( 0.230 -5.007 -1.488) 5.229 6.657 ( -5.057 -20.423 6.270) 21.954 7.197 ( 0.394 -8.310 2.571) 8.708 7.304 ( 0.947 10.112 1.990) 10.349 7.760 ( -0.571 -3.917 2.195) 4.526 7.850 ( -1.134 -10.983 -6.096) 12.612 8.217 ( 1.649 6.462 -13.974) 15.484 8.807 ( 3.914 0.950 4.145) 5.780 8.999 ( 1.131 -4.936 6.594) 8.314 9.157 ( 3.132 -6.932 -4.927) 9.063 9.773 ( -1.172 7.658 17.437) 19.080 9.966 ( 1.830 3.173 -12.144) 12.684 10.054 ( 8.170 4.926 -3.022) 10.007 11.054 ( -3.309 1.718 -0.530) 3.765 11.255 ( 12.475 8.291 -11.459) 18.860 11.523 ( 2.830 10.495 -9.015) 14.121 11.822 ( 2.389 -5.995 -4.435) 7.830 12.168 ( -0.196 0.014 -8.793) 8.795 12.715 ( 5.635 -4.960 10.114) 12.595 12.974 ( -4.228 -9.220 3.432) 10.708 13.216 ( 1.651 2.623 8.169) 8.738 13.296 ( 4.165 -2.895 -2.858) 5.822 13.517 ( 3.139 0.845 -1.878) 3.754 13.788 ( -5.596 2.815 3.920) 7.389 13.959 ( -6.982 3.097 2.210) 7.951 14.405 ( 5.683 -6.568 3.683) 9.434 14.602 ( 13.673 0.194 0.910) 13.704 15.050 ( -4.078 -7.614 5.975) 10.503 15.438 ( -3.374 8.727 -8.814) 12.854 15.513 ( 5.324 7.652 3.328) 9.898 16.527 ( 1.910 6.633 -0.097) 6.903 16.705 ( -4.712 -2.092 -7.516) 9.115 17.446 ( 14.969 -3.093 -4.000) 15.800 17.668 ( -4.476 2.476 1.176) 5.249 19.436 ( 1.112 -9.993 9.864) 14.085 19.694 ( -11.177 3.486 4.024) 12.380 20.448 ( -10.489 -0.554 7.759) 13.058 21.106 ( 5.178 -3.345 0.317) 6.173 21.784 ( 4.464 10.419 -5.194) 12.468 23.503 ( -9.828 -14.790 -14.795) 23.113 ======================= Grid point 138 (65/201) ======================= q-point: (-0.12 0.00 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -6.130 7.243 27.678) 29.259 1.410 ( -14.144 11.230 26.607) 32.157 2.357 ( -24.406 12.699 33.049) 43.002 2.512 ( 2.783 4.899 8.763) 10.418 2.698 ( -0.453 0.256 1.482) 1.571 3.259 ( 4.783 -2.897 -14.485) 15.527 3.753 ( 2.051 -0.511 -3.016) 3.683 3.900 ( 4.679 0.978 5.368) 7.188 4.222 ( -0.952 1.488 6.796) 7.022 4.834 ( -0.134 0.170 4.984) 4.989 5.105 ( -3.585 -2.384 -0.881) 4.395 5.240 ( 3.277 8.525 0.857) 9.173 5.534 ( -3.280 -2.334 7.128) 8.187 6.001 ( -13.838 3.027 10.871) 17.855 6.562 ( 0.682 -7.512 -3.105) 8.156 6.901 ( -2.671 -10.311 5.053) 11.789 7.108 ( -2.119 10.140 0.626) 10.378 7.360 ( -3.118 -8.098 7.224) 11.291 7.827 ( 5.021 0.604 -2.798) 5.780 7.977 ( -1.665 -11.051 -6.145) 12.753 8.123 ( -1.746 -3.046 -2.133) 4.108 8.884 ( 8.936 5.153 7.666) 12.852 9.046 ( 1.765 -4.519 -14.272) 15.074 9.197 ( 0.052 3.169 2.067) 3.784 9.683 ( -3.186 13.210 7.449) 15.497 9.897 ( 5.294 -0.650 1.638) 5.580 10.182 ( 5.718 -3.743 2.638) 7.326 10.960 ( -4.935 2.124 -4.936) 7.296 11.184 ( 3.574 4.979 -14.651) 15.882 11.400 ( 9.657 8.336 -3.524) 13.235 11.907 ( 1.918 -4.084 -2.205) 5.022 12.110 ( 1.690 0.219 -13.763) 13.868 12.826 ( -3.896 -1.127 10.315) 11.083 13.073 ( -5.641 -8.822 -1.558) 10.587 13.311 ( 6.642 -2.331 -4.387) 8.294 13.353 ( 0.580 -2.899 7.616) 8.170 13.525 ( -0.397 -0.483 -0.240) 0.670 13.756 ( -1.331 0.480 9.460) 9.565 13.827 ( -2.841 7.376 -2.180) 8.200 14.531 ( 1.962 -4.418 -5.574) 7.378 14.668 ( -11.696 1.811 0.254) 11.838 15.172 ( 5.210 -1.900 1.134) 5.660 15.276 ( 0.744 1.558 -0.202) 1.739 15.633 ( 26.139 3.170 14.604) 30.110 16.439 ( -0.351 5.121 -1.048) 5.238 16.651 ( -2.010 -1.051 -6.563) 6.944 17.587 ( -6.412 0.729 0.850) 6.509 17.668 ( 15.946 -5.643 -5.879) 17.908 19.461 ( -21.111 0.273 3.332) 21.374 19.785 ( 20.206 -13.110 2.397) 24.205 20.379 ( -6.556 1.504 6.767) 9.541 21.225 ( 5.352 -3.061 2.365) 6.604 21.648 ( 3.739 10.166 -5.102) 11.973 23.263 ( -40.284 -2.224 -23.134) 46.507 ======================= Grid point 140 (66/201) ======================= q-point: ( 0.12 0.12 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 3.416 0.000 27.219) 27.432 1.743 ( 6.180 0.000 25.197) 25.944 2.705 ( 10.890 0.000 2.338) 11.138 2.754 ( 12.129 0.000 30.721) 33.029 2.847 ( 5.715 0.000 2.849) 6.386 3.064 ( -2.685 -0.000 -10.667) 10.999 3.756 ( -1.481 -0.000 -2.029) 2.512 4.093 ( -1.251 -0.000 7.196) 7.304 4.596 ( 7.856 0.000 -7.598) 10.929 4.903 ( -0.707 -0.000 1.083) 1.293 4.922 ( -6.413 -0.000 -5.241) 8.282 5.144 ( -3.522 -0.000 4.643) 5.828 5.506 ( -0.969 -0.000 11.744) 11.784 5.690 ( -11.091 -0.000 12.895) 17.008 6.634 ( -11.448 -0.000 0.748) 11.472 6.640 ( 2.101 0.000 -1.589) 2.635 7.168 ( -2.157 -0.000 10.367) 10.589 7.405 ( 3.119 0.000 2.664) 4.102 7.813 ( -1.168 -0.000 -8.896) 8.973 8.002 ( 5.799 0.000 -6.861) 8.984 8.299 ( -4.620 -0.000 23.391) 23.843 8.855 ( -2.783 -0.000 -15.320) 15.571 8.906 ( -1.099 -0.000 -14.752) 14.793 9.334 ( 5.315 0.000 8.117) 9.702 9.343 ( -16.008 -0.000 14.674) 21.716 10.246 ( 6.283 0.000 4.171) 7.541 10.487 ( -4.008 -0.000 15.788) 16.289 10.760 ( 9.590 0.000 -12.722) 15.931 10.945 ( 0.842 0.000 -11.516) 11.547 11.667 ( 8.371 0.000 -2.777) 8.820 11.897 ( -1.803 -0.000 -4.568) 4.911 11.959 ( 3.363 0.000 -13.822) 14.225 12.743 ( -28.623 -0.000 16.845) 33.212 12.813 ( -3.796 -0.000 9.588) 10.313 13.073 ( -4.508 -0.000 0.629) 4.551 13.248 ( 1.941 0.000 -4.300) 4.717 13.618 ( 0.058 0.000 2.544) 2.545 13.757 ( 5.368 0.000 -2.171) 5.791 13.946 ( -3.843 -0.000 12.266) 12.854 14.132 ( -10.795 -0.000 13.485) 17.274 14.537 ( -3.456 -0.000 -0.128) 3.458 14.692 ( -17.781 -0.000 2.243) 17.922 15.613 ( 10.248 0.000 2.068) 10.455 16.406 ( 0.642 0.000 -0.347) 0.730 16.479 ( -2.027 -0.000 -5.788) 6.132 16.668 ( 3.947 0.000 7.659) 8.616 17.280 ( -0.588 -0.000 -7.670) 7.692 18.017 ( -8.025 -0.000 1.723) 8.208 18.880 ( 8.041 0.000 -11.195) 13.784 20.358 ( -0.716 -0.000 5.367) 5.415 20.888 ( 10.245 0.000 -21.284) 23.621 21.360 ( -24.481 -0.000 8.558) 25.934 21.492 ( 2.783 0.000 10.267) 10.638 21.728 ( 23.388 0.000 -9.171) 25.122 ======================= Grid point 141 (67/201) ======================= q-point: ( 0.25 0.12 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 7.001 6.101 22.998) 24.802 1.930 ( 11.036 0.214 17.742) 20.895 2.798 ( 3.985 2.204 3.182) 5.556 2.880 ( 5.783 7.070 0.902) 9.178 3.025 ( 2.800 -7.667 -4.407) 9.276 3.132 ( 10.813 -4.288 10.567) 15.716 3.737 ( -1.982 -2.495 -3.856) 5.002 4.104 ( -6.698 -0.482 10.927) 12.826 4.489 ( -1.824 12.048 -7.529) 14.324 4.802 ( -0.521 -2.072 3.046) 3.720 4.963 ( -1.964 -3.657 3.250) 5.272 5.209 ( -3.220 -9.370 1.822) 10.074 5.602 ( -3.269 -0.340 14.318) 14.691 5.657 ( -4.161 -3.880 9.589) 11.150 6.460 ( -8.588 3.177 4.709) 10.297 6.767 ( -0.201 -10.232 -2.880) 10.632 7.127 ( -1.979 10.547 10.070) 14.716 7.472 ( 6.066 0.357 2.236) 6.474 7.654 ( -2.635 12.424 -5.950) 14.025 8.054 ( 1.830 -1.149 -1.847) 2.843 8.236 ( 1.878 8.550 10.346) 13.553 8.652 ( -2.657 5.270 -14.950) 16.073 8.969 ( -9.348 -0.922 1.824) 9.569 9.197 ( -3.418 -9.860 -0.871) 10.472 9.623 ( -2.424 -14.908 9.225) 17.698 10.147 ( -3.037 11.436 8.566) 14.607 10.660 ( -4.426 -15.805 -1.437) 16.476 10.820 ( 12.155 4.076 -0.722) 12.840 10.908 ( 2.363 -1.592 -12.809) 13.122 11.766 ( 7.806 -2.200 -3.773) 8.945 11.845 ( -1.666 -0.491 -3.076) 3.532 11.914 ( 4.777 2.623 -11.656) 12.867 12.557 ( -18.178 -1.415 14.768) 23.463 12.835 ( -2.488 -0.729 10.428) 10.745 12.984 ( -1.438 6.873 -0.187) 7.025 13.331 ( 2.573 -7.989 -3.576) 9.123 13.640 ( -2.536 -2.954 2.190) 4.467 13.766 ( 2.631 4.198 -1.148) 5.086 13.985 ( -2.952 -4.462 8.035) 9.654 14.114 ( -7.232 -1.462 12.136) 14.203 14.450 ( -9.681 3.254 7.356) 12.586 14.578 ( -14.255 -6.689 3.257) 16.079 15.727 ( 9.714 0.013 -4.928) 10.893 16.274 ( -6.098 4.826 -11.276) 13.698 16.504 ( 4.481 2.529 5.580) 7.591 16.732 ( -3.244 -4.874 3.835) 6.999 17.246 ( 4.428 2.657 -6.113) 8.003 17.886 ( -17.009 -2.881 3.561) 17.615 18.985 ( 20.241 2.831 -9.209) 22.417 20.373 ( -0.060 1.303 4.194) 4.392 20.563 ( -3.759 21.639 0.839) 21.979 21.207 ( -10.040 1.218 0.856) 10.150 21.769 ( 0.139 -14.343 2.511) 14.562 22.080 ( 31.520 -12.299 -14.875) 36.959 ======================= Grid point 142 (68/201) ======================= q-point: ( 0.38 0.12 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 10.550 6.746 14.867) 19.439 2.185 ( 12.608 -4.405 11.431) 17.579 2.718 ( -0.844 11.941 2.124) 12.157 2.824 ( 0.040 3.588 -2.103) 4.159 3.152 ( 6.694 4.394 -3.585) 8.773 3.249 ( -0.853 -4.770 3.288) 5.856 3.733 ( -0.334 -3.353 -8.956) 9.569 4.096 ( -6.592 -3.094 8.475) 11.173 4.227 ( -3.004 11.477 -5.696) 13.161 4.974 ( -8.131 -1.974 18.117) 19.956 5.030 ( 7.609 -11.875 4.834) 14.909 5.333 ( -3.988 -11.913 -0.932) 12.598 5.562 ( -3.674 3.715 10.000) 11.283 5.830 ( -2.340 -11.755 13.199) 17.829 6.366 ( -8.240 3.332 7.793) 11.821 6.789 ( -0.170 17.348 6.234) 18.434 7.000 ( -3.259 -3.052 2.328) 5.036 7.395 ( 1.144 14.725 -3.821) 15.256 7.549 ( 5.712 0.907 -0.460) 5.801 8.032 ( -2.804 0.127 4.515) 5.316 8.329 ( 7.542 -5.420 -1.866) 9.473 8.447 ( -4.100 6.457 -8.817) 11.672 8.855 ( -4.456 2.115 -2.789) 5.666 9.342 ( -5.139 -12.930 -0.574) 13.926 9.624 ( -3.630 13.589 4.302) 14.708 10.162 ( -3.840 -9.519 7.397) 12.652 10.716 ( 4.466 -3.505 -18.539) 19.389 10.865 ( -5.126 0.032 9.625) 10.905 10.966 ( 5.267 -6.346 -6.781) 10.677 11.799 ( 5.099 3.801 -7.426) 9.777 11.875 ( 0.121 -5.507 -5.321) 7.659 11.942 ( 10.204 -1.240 -1.725) 10.422 12.514 ( -7.084 -3.488 7.172) 10.667 12.867 ( -1.038 6.226 0.371) 6.323 12.897 ( 0.697 -1.738 10.087) 10.260 13.419 ( 0.047 -4.442 -7.646) 8.843 13.635 ( -2.664 3.040 0.972) 4.157 13.757 ( 1.329 -2.788 1.845) 3.597 14.079 ( -1.555 -1.902 12.862) 13.095 14.119 ( -9.955 -6.973 6.433) 13.752 14.338 ( -11.150 2.068 11.544) 16.182 14.560 ( -9.664 -8.508 1.551) 12.968 15.757 ( 5.989 3.081 -11.629) 13.438 16.081 ( -2.681 4.909 -9.587) 11.099 16.532 ( 2.548 1.650 1.277) 3.293 16.780 ( -3.053 -4.152 1.384) 5.336 17.243 ( 6.570 2.519 -3.840) 8.015 17.780 ( -16.735 -6.236 4.736) 18.476 19.131 ( 21.262 5.509 -4.794) 22.481 20.237 ( -0.894 16.358 4.698) 17.042 20.423 ( -1.892 -0.891 5.091) 5.504 21.083 ( -7.536 1.880 0.473) 7.782 21.931 ( 2.122 -5.766 0.655) 6.179 22.533 ( 23.971 -14.582 -14.219) 31.456 ======================= Grid point 143 (69/201) ======================= q-point: (-0.50 0.12 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 9.167 8.588 10.663) 16.477 2.408 ( 0.715 2.537 3.221) 4.162 2.547 ( 6.849 7.096 4.819) 10.976 2.735 ( -2.908 3.580 -1.252) 4.780 3.014 ( -4.162 9.205 -1.961) 10.291 3.298 ( -4.503 -1.447 0.115) 4.731 3.736 ( 2.090 -2.369 -8.958) 9.498 4.037 ( 3.751 4.857 -12.700) 14.105 4.180 ( -3.799 -5.839 10.769) 12.826 4.949 ( -5.327 2.960 11.175) 12.729 5.320 ( -0.615 -7.506 5.169) 9.134 5.397 ( -2.897 -2.987 11.919) 12.624 5.625 ( -3.035 -13.031 6.234) 14.761 6.057 ( -2.713 -11.147 13.158) 17.457 6.169 ( -5.737 18.565 8.774) 21.320 6.485 ( -7.911 18.969 14.780) 25.315 7.097 ( -0.747 -9.244 -2.053) 9.499 7.248 ( 6.716 7.994 -3.006) 10.865 7.557 ( 2.963 2.064 -6.713) 7.623 8.033 ( -1.973 0.286 -2.242) 3.000 8.317 ( -3.233 -0.072 6.935) 7.652 8.516 ( 6.642 -9.308 -7.002) 13.409 8.768 ( -1.948 1.555 -6.371) 6.841 9.301 ( -6.461 10.541 -1.328) 12.435 9.523 ( 2.330 -4.476 1.933) 5.403 10.205 ( -4.761 0.171 2.119) 5.214 10.670 ( 7.806 11.846 -6.575) 15.636 10.922 ( -6.245 -11.436 1.689) 13.139 11.101 ( 3.325 -11.660 -4.933) 13.090 11.741 ( 8.104 7.129 -8.318) 13.627 11.935 ( 3.275 -2.180 -8.568) 9.428 12.047 ( 1.727 -2.210 0.181) 2.810 12.546 ( 0.192 -1.944 4.584) 4.983 12.804 ( -1.754 0.707 0.903) 2.096 13.017 ( 3.969 -3.778 9.300) 10.794 13.399 ( -2.073 -2.590 -10.935) 11.427 13.533 ( -0.387 7.724 2.361) 8.086 13.855 ( 1.394 -4.762 2.505) 5.559 14.031 ( -14.314 0.019 11.157) 18.149 14.222 ( -7.127 -3.049 9.587) 12.329 14.281 ( -3.138 -6.285 5.895) 9.171 14.639 ( -3.655 -10.589 3.919) 11.867 15.666 ( 2.678 4.994 -12.720) 13.925 15.968 ( 2.894 6.207 -7.430) 10.105 16.538 ( -0.430 -2.460 -5.150) 5.724 16.783 ( -1.885 0.226 -0.360) 1.932 17.286 ( 6.366 -0.416 -3.283) 7.174 17.718 ( -14.453 -5.849 5.363) 16.488 19.259 ( 17.804 6.274 0.228) 18.879 20.045 ( -2.598 11.757 6.796) 13.826 20.445 ( -3.919 -1.785 5.130) 6.698 21.002 ( -1.828 0.795 -0.325) 2.020 21.998 ( -0.378 -1.347 0.944) 1.687 22.898 ( 17.439 -12.175 -12.771) 24.808 ======================= Grid point 144 (70/201) ======================= q-point: (-0.38 0.12 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 1.594 17.786 11.580) 21.283 2.172 ( -8.348 14.799 2.270) 17.143 2.543 ( -6.169 4.436 6.169) 9.787 2.800 ( 3.083 4.261 -0.315) 5.269 2.865 ( 2.113 -7.506 -3.842) 8.693 3.201 ( -4.508 6.707 1.234) 8.175 3.747 ( 3.041 -0.396 -5.761) 6.527 3.981 ( 4.128 1.896 -8.385) 9.537 4.289 ( 0.227 -4.171 4.992) 6.509 4.903 ( -3.273 3.290 7.539) 8.853 5.253 ( -3.012 8.722 5.579) 10.783 5.545 ( -7.498 -7.929 13.628) 17.459 5.815 ( 1.094 20.006 5.418) 20.756 5.882 ( -5.492 -15.502 13.406) 21.218 6.160 ( -5.505 7.868 7.543) 12.211 6.346 ( -6.759 -8.771 11.887) 16.245 7.163 ( 4.888 3.308 -1.829) 6.179 7.301 ( 4.350 -7.082 -0.918) 8.362 7.529 ( 0.287 -2.660 -6.860) 7.363 7.915 ( -4.612 6.195 -5.055) 9.231 8.379 ( 2.660 0.335 0.092) 2.683 8.689 ( -0.650 -9.755 -3.030) 10.235 8.724 ( -1.043 -6.571 1.035) 6.733 9.104 ( 1.444 7.742 -5.110) 9.388 9.667 ( 2.462 -8.352 3.502) 9.385 10.138 ( -0.392 5.717 3.435) 6.681 10.501 ( 4.375 16.933 -1.788) 17.580 11.003 ( 0.280 -7.003 -8.242) 10.819 11.309 ( 3.480 -10.660 -0.876) 11.247 11.714 ( 7.494 3.861 -4.205) 9.420 11.849 ( 2.431 10.536 -12.346) 16.412 12.075 ( -5.454 -6.729 -4.092) 9.580 12.635 ( 4.704 -1.956 6.373) 8.159 12.788 ( -2.910 -2.175 -1.892) 4.096 13.184 ( 5.794 -4.519 5.072) 8.929 13.332 ( -4.353 0.826 -2.543) 5.109 13.486 ( 4.409 2.355 0.606) 5.035 13.881 ( -10.071 1.798 8.021) 13.000 13.946 ( -5.688 -2.743 1.204) 6.429 14.220 ( -2.586 -3.597 8.574) 9.650 14.449 ( 1.259 -9.611 5.184) 10.993 14.802 ( 0.236 -9.974 5.779) 11.529 15.577 ( 3.224 3.961 -8.118) 9.590 15.851 ( 5.272 10.508 -7.636) 14.019 16.537 ( -2.513 -4.561 -8.502) 9.970 16.735 ( -1.460 2.535 -2.107) 3.605 17.351 ( 3.003 -3.672 -4.805) 6.752 17.668 ( -9.961 -2.978 4.722) 11.419 19.367 ( 12.181 4.909 6.244) 14.542 19.878 ( -6.605 9.379 5.935) 12.916 20.426 ( -7.019 -0.663 5.623) 9.018 21.033 ( 6.355 -1.771 -1.264) 6.717 21.972 ( -4.161 2.017 1.500) 4.861 23.142 ( 9.048 -9.176 -14.079) 19.086 ======================= Grid point 145 (71/201) ======================= q-point: (-0.25 0.12 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -5.071 22.438 13.790) 26.821 1.843 ( -12.885 16.977 10.859) 23.920 2.466 ( -3.633 1.925 3.726) 5.549 2.703 ( -5.056 1.236 3.121) 6.069 3.002 ( -2.926 9.202 10.930) 14.584 3.099 ( 9.633 -2.466 -8.739) 13.238 3.752 ( 4.214 0.544 -7.675) 8.773 3.979 ( 3.627 2.062 2.103) 4.673 4.323 ( 0.307 3.054 3.069) 4.340 4.858 ( -2.432 2.490 4.748) 5.887 5.115 ( -6.514 6.781 9.208) 13.161 5.549 ( -2.861 7.253 9.768) 12.498 5.636 ( -0.447 7.630 5.806) 9.598 5.996 ( -4.583 2.907 6.176) 8.222 6.233 ( -5.532 -24.511 6.785) 26.028 6.460 ( -4.542 -5.816 7.946) 10.845 7.172 ( 4.791 0.259 -0.259) 4.805 7.420 ( -0.002 -1.283 -0.605) 1.419 7.568 ( -2.076 -5.278 -2.786) 6.319 7.781 ( -1.516 -1.519 -2.467) 3.270 8.293 ( 4.124 9.179 -13.217) 16.612 8.737 ( -5.675 -7.035 2.633) 9.414 8.987 ( 1.430 -17.162 4.827) 17.885 9.057 ( 5.070 0.953 -2.317) 5.656 9.840 ( 0.936 -7.576 3.626) 8.451 10.069 ( 3.918 9.999 6.854) 12.740 10.287 ( 4.897 15.658 -2.947) 16.668 11.035 ( 2.725 -0.372 -9.051) 9.460 11.431 ( 5.481 2.201 -2.196) 6.301 11.615 ( -0.674 8.483 -15.143) 17.371 11.757 ( 2.583 -2.164 1.447) 3.667 12.065 ( -3.920 -4.514 -9.631) 11.336 12.757 ( 2.553 -2.967 6.853) 7.892 12.794 ( -2.482 -6.055 -5.359) 8.459 13.237 ( -1.743 -0.392 -2.787) 3.310 13.356 ( 2.471 -1.327 8.169) 8.637 13.533 ( 4.560 0.406 1.800) 4.919 13.774 ( -8.601 0.623 6.289) 10.673 13.919 ( -3.244 0.585 1.806) 3.759 14.347 ( 2.029 -7.658 0.998) 7.985 14.603 ( -3.782 -6.196 6.567) 9.789 14.996 ( 5.172 -7.951 7.117) 11.858 15.493 ( 0.838 7.918 -6.543) 10.306 15.776 ( 15.758 7.167 -2.865) 17.547 16.518 ( -2.839 -3.001 -7.640) 8.686 16.658 ( -1.932 2.434 -4.418) 5.402 17.407 ( -4.370 -8.165 -4.236) 10.184 17.637 ( -0.481 -0.022 1.396) 1.477 19.452 ( -2.489 2.682 14.920) 15.362 19.694 ( -2.140 6.025 -0.802) 6.444 20.386 ( -5.787 -0.270 6.436) 8.660 21.161 ( 11.062 -2.115 -2.053) 11.448 21.868 ( -7.260 3.868 1.675) 8.395 23.180 ( -4.417 -2.516 -19.025) 19.692 ======================= Grid point 146 (72/201) ======================= q-point: (-0.12 0.12 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -5.212 13.038 19.676) 24.172 1.566 ( -9.963 13.314 23.446) 28.744 2.432 ( -1.185 3.192 8.952) 9.578 2.688 ( -2.067 -0.963 5.157) 5.639 2.852 ( 2.367 17.769 18.472) 25.741 3.190 ( 4.909 -3.026 -13.204) 14.408 3.757 ( 3.805 -0.197 -5.035) 6.314 4.021 ( 4.539 2.156 5.270) 7.282 4.298 ( 2.507 2.523 5.945) 6.928 4.840 ( -1.572 -0.692 2.340) 2.903 5.018 ( -8.497 0.808 7.507) 11.367 5.439 ( 3.150 11.286 -1.003) 11.760 5.569 ( -3.211 5.007 10.740) 12.277 5.915 ( -11.601 0.878 5.224) 12.753 6.464 ( -1.020 -5.775 1.688) 6.103 6.652 ( -2.199 -22.244 7.979) 23.734 7.233 ( 0.447 6.321 -0.971) 6.411 7.294 ( -2.835 1.909 2.844) 4.446 7.658 ( -7.006 -15.237 -0.509) 16.779 7.891 ( 4.643 -5.910 1.333) 7.634 8.136 ( 4.628 8.322 -11.030) 14.572 8.810 ( -2.928 -10.502 -3.742) 11.527 9.051 ( 0.990 -0.463 -5.328) 5.439 9.269 ( 3.735 -4.120 9.547) 11.048 9.835 ( -3.523 5.446 -2.535) 6.964 10.008 ( 0.855 10.743 15.234) 18.661 10.262 ( 12.345 -1.022 -0.656) 12.405 10.960 ( 0.544 6.464 -8.204) 10.459 11.257 ( -0.778 11.747 -14.835) 18.939 11.567 ( 7.532 2.099 -3.859) 8.720 11.836 ( 0.460 -5.037 0.725) 5.109 12.025 ( -1.617 -3.037 -12.113) 12.592 12.820 ( -1.639 -1.515 2.270) 3.183 12.856 ( -4.728 -8.854 0.937) 10.081 13.217 ( -9.762 -5.693 0.543) 11.314 13.390 ( 4.316 3.910 -2.118) 6.197 13.585 ( 4.782 3.143 5.331) 7.821 13.762 ( -4.959 -3.190 8.108) 10.025 13.874 ( -0.356 3.416 0.804) 3.528 14.418 ( -4.612 -0.852 -4.815) 6.722 14.565 ( -12.959 -0.856 10.359) 16.612 15.140 ( -4.234 -0.607 -2.414) 4.912 15.374 ( 6.848 5.038 2.223) 8.787 16.029 ( 28.087 -3.136 4.070) 28.553 16.475 ( -0.240 1.315 -4.125) 4.337 16.590 ( -1.481 -0.443 -6.604) 6.782 17.413 ( -10.896 -6.706 -2.595) 13.055 17.730 ( 11.508 -5.263 -2.675) 12.934 19.264 ( -21.444 5.626 5.796) 22.915 19.834 ( 14.873 -10.458 4.591) 18.753 20.374 ( -3.113 -0.273 6.698) 7.391 21.312 ( 13.102 -0.580 -2.265) 13.309 21.724 ( -8.584 3.634 1.033) 9.379 22.838 ( -22.774 14.063 -21.107) 34.087 ======================= Grid point 149 (73/201) ======================= q-point: ( 0.25 0.25 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 11.624 0.000 17.587) 21.081 2.146 ( 8.486 0.000 14.871) 17.122 2.869 ( -6.260 -0.000 -6.270) 8.860 2.902 ( 6.412 0.000 2.166) 6.768 3.027 ( 5.487 0.000 4.813) 7.299 3.351 ( 17.645 0.000 0.356) 17.649 3.663 ( -4.497 -0.000 -0.677) 4.547 4.064 ( -11.114 -0.000 13.666) 17.615 4.529 ( -0.361 -0.000 -13.449) 13.454 4.815 ( -1.517 -0.000 9.507) 9.628 4.840 ( -0.783 -0.000 -6.073) 6.124 5.163 ( -3.765 -0.000 13.008) 13.542 5.633 ( -5.485 -0.000 11.595) 12.827 5.663 ( 0.998 0.000 10.571) 10.618 6.386 ( -12.561 -0.000 6.127) 13.976 6.665 ( 0.246 0.000 -0.105) 0.268 7.255 ( 1.580 0.000 7.930) 8.086 7.558 ( 5.626 0.000 2.484) 6.150 7.686 ( 0.143 0.000 -9.039) 9.041 8.051 ( 3.014 0.000 -5.200) 6.010 8.465 ( -6.307 -0.000 28.139) 28.837 8.630 ( -1.745 -0.000 -14.360) 14.466 8.702 ( -1.750 -0.000 -11.983) 12.110 9.138 ( -12.269 -0.000 10.865) 16.389 9.497 ( 3.523 0.000 1.760) 3.938 10.331 ( -5.379 -0.000 7.042) 8.862 10.368 ( -12.078 -0.000 4.074) 12.746 10.876 ( 5.745 0.000 -14.622) 15.710 10.959 ( 9.471 0.000 -4.808) 10.621 11.780 ( -2.418 -0.000 -6.036) 6.502 11.818 ( 7.209 0.000 -4.135) 8.311 11.944 ( 7.984 0.000 -10.841) 13.463 12.466 ( -10.926 -0.000 18.439) 21.433 12.845 ( -4.599 -0.000 11.909) 12.766 13.058 ( 1.097 0.000 2.142) 2.407 13.291 ( 5.278 0.000 -3.350) 6.252 13.596 ( -2.743 -0.000 2.197) 3.515 13.863 ( -7.176 -0.000 -1.423) 7.316 13.868 ( 5.605 0.000 -0.930) 5.682 14.127 ( -4.687 -0.000 14.817) 15.540 14.344 ( -21.480 -0.000 18.505) 28.352 14.446 ( -5.894 -0.000 2.518) 6.409 15.795 ( 8.801 0.000 -11.113) 14.176 16.161 ( -5.750 -0.000 -14.263) 15.378 16.634 ( -4.956 -0.000 -1.753) 5.257 16.643 ( 6.263 0.000 6.575) 9.080 17.287 ( 2.248 0.000 -0.610) 2.329 17.646 ( -20.608 -0.000 5.312) 21.281 19.234 ( 24.466 0.000 -8.143) 25.786 20.391 ( -0.854 -0.000 3.859) 3.952 20.630 ( -10.843 -0.000 -0.703) 10.866 21.164 ( -1.276 -0.000 -8.466) 8.561 21.667 ( 1.222 0.000 12.707) 12.766 22.336 ( 35.134 0.000 -15.785) 38.517 ======================= Grid point 150 (74/201) ======================= q-point: ( 0.38 0.25 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 10.268 6.972 11.949) 17.228 2.338 ( 10.716 -1.828 8.439) 13.762 2.759 ( -7.224 -0.241 -4.795) 8.673 2.910 ( 2.316 8.079 3.855) 9.246 3.158 ( 1.037 -5.497 3.303) 6.496 3.403 ( 10.982 11.642 -9.039) 18.381 3.635 ( -1.905 -2.694 -3.470) 4.788 4.011 ( -11.759 -2.221 14.066) 18.468 4.348 ( 0.582 11.741 -9.512) 15.122 4.903 ( -2.115 -8.013 -1.302) 8.389 4.961 ( 4.097 -9.792 13.947) 17.527 5.204 ( -3.782 -2.503 9.754) 10.757 5.627 ( -3.327 2.474 11.601) 12.320 5.748 ( -3.703 -5.180 13.230) 14.682 6.302 ( -9.613 -2.062 7.992) 12.670 6.734 ( -1.050 -8.848 -2.096) 9.153 7.226 ( 1.297 13.649 8.056) 15.902 7.581 ( 3.384 9.094 -6.377) 11.611 7.626 ( 4.048 1.221 1.069) 4.361 8.022 ( -3.454 2.503 -0.504) 4.296 8.382 ( 2.924 4.761 0.258) 5.593 8.479 ( -4.039 8.434 1.495) 9.470 8.770 ( -4.114 -5.088 -6.035) 8.902 9.135 ( -2.779 -8.839 6.851) 11.524 9.649 ( -1.438 -8.529 1.225) 8.736 10.097 ( -8.052 5.329 7.164) 12.023 10.433 ( -12.079 -11.910 -1.697) 17.048 10.881 ( 6.987 -1.229 -14.164) 15.841 11.006 ( 4.124 1.297 -2.397) 4.944 11.735 ( -0.908 -2.374 -6.634) 7.104 11.871 ( 3.733 0.255 -4.166) 5.599 12.009 ( 11.402 -1.468 -10.136) 15.327 12.493 ( -1.419 -0.888 13.842) 13.943 12.858 ( -5.695 -1.084 8.535) 10.318 13.039 ( 3.351 5.749 5.244) 8.473 13.351 ( 2.177 -1.240 -4.657) 5.288 13.616 ( -1.103 -2.880 4.715) 5.634 13.757 ( -2.418 0.121 -4.682) 5.271 13.954 ( -0.973 -3.637 1.201) 3.952 14.128 ( -10.448 1.671 20.689) 23.237 14.252 ( -12.524 -2.651 15.885) 20.401 14.402 ( -6.331 -3.127 2.729) 7.570 15.780 ( 3.933 2.178 -17.780) 18.339 16.051 ( 1.424 0.498 -10.585) 10.692 16.548 ( -2.325 2.052 -4.935) 5.828 16.741 ( 1.668 -2.159 0.655) 2.806 17.290 ( -0.353 1.234 1.332) 1.850 17.512 ( -16.388 -5.957 8.785) 19.525 19.441 ( 21.948 3.858 -5.321) 22.911 20.398 ( -0.873 1.705 2.419) 3.086 20.442 ( -6.124 8.077 1.539) 10.252 21.072 ( -0.674 3.665 -5.384) 6.547 21.818 ( -2.331 -8.299 10.217) 13.368 22.671 ( 31.240 -3.369 -15.183) 34.897 ======================= Grid point 151 (75/201) ======================= q-point: (-0.50 0.25 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 9.522 7.506 7.262) 14.133 2.481 ( 4.149 1.481 1.877) 4.789 2.657 ( -8.779 -0.954 -3.043) 9.340 2.794 ( 3.642 11.956 6.424) 14.052 3.094 ( -10.733 7.134 -0.217) 12.889 3.323 ( 10.091 7.546 -7.258) 14.541 3.668 ( 2.489 -4.574 -6.018) 7.958 4.017 ( -4.685 -3.310 1.718) 5.988 4.193 ( 1.925 5.747 2.330) 6.493 4.960 ( -4.498 -2.051 8.450) 9.790 5.231 ( 2.430 -7.873 4.284) 9.287 5.273 ( -4.980 -11.225 10.255) 15.999 5.605 ( -2.996 4.077 11.163) 12.256 5.884 ( -7.967 -11.748 16.588) 21.832 6.287 ( -4.561 0.727 7.621) 8.911 6.798 ( -2.385 6.065 1.593) 6.709 7.008 ( -1.019 11.580 7.817) 14.008 7.459 ( 6.045 9.616 -1.686) 11.483 7.623 ( 3.021 5.704 -4.111) 7.652 7.960 ( -4.015 -1.612 -2.621) 5.059 8.301 ( -2.776 3.096 -1.822) 4.540 8.460 ( 0.518 -4.835 3.657) 6.084 8.743 ( 3.558 0.956 -11.746) 12.311 9.261 ( -3.869 -3.641 5.135) 7.389 9.590 ( -1.145 5.599 0.229) 5.719 10.120 ( -5.217 -5.991 4.954) 9.362 10.524 ( -5.344 -21.191 -8.373) 23.403 10.905 ( 1.323 2.620 2.555) 3.891 11.003 ( 3.634 -1.387 -7.859) 8.769 11.761 ( -1.205 -7.764 -9.060) 11.992 11.863 ( 5.167 3.259 -5.613) 8.296 12.078 ( 5.779 0.973 -9.768) 11.391 12.589 ( 4.236 -0.844 8.920) 9.910 12.808 ( -4.639 2.191 1.669) 5.396 13.086 ( 3.372 -0.686 9.744) 10.334 13.315 ( -1.291 1.111 -5.752) 5.999 13.616 ( -3.454 1.634 2.437) 4.532 13.803 ( 1.797 -6.186 -0.452) 6.458 13.925 ( -7.897 2.797 8.135) 11.678 14.157 ( -7.284 -5.598 20.144) 22.140 14.224 ( -7.152 -0.447 7.465) 10.348 14.486 ( -0.659 -10.169 5.684) 11.668 15.674 ( 3.252 2.432 -18.186) 18.634 16.041 ( 6.142 2.019 -7.728) 10.076 16.466 ( -1.747 0.871 -8.272) 8.499 16.745 ( -3.630 -1.464 -4.537) 5.992 17.272 ( -3.356 -0.667 2.312) 4.129 17.510 ( -9.763 -6.638 9.273) 15.012 19.573 ( 17.414 6.456 -1.957) 18.675 20.219 ( -4.238 12.074 2.340) 13.009 20.413 ( -2.600 -0.263 3.497) 4.366 21.021 ( 3.465 1.208 -3.689) 5.203 21.915 ( -7.183 -4.926 8.926) 12.472 22.967 ( 24.244 -3.143 -14.331) 28.337 ======================= Grid point 152 (76/201) ======================= q-point: (-0.38 0.25 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 2.733 13.249 6.846) 15.162 2.332 ( -5.380 15.666 0.281) 16.566 2.529 ( -8.407 1.261 3.374) 9.147 2.802 ( -5.332 4.122 1.555) 6.916 2.900 ( 5.064 0.848 -0.489) 5.158 3.288 ( 6.766 6.352 -4.545) 10.334 3.738 ( 4.276 -3.490 -5.490) 7.785 3.979 ( 2.082 0.612 -10.577) 10.797 4.258 ( 0.143 -4.289 10.538) 11.378 4.956 ( -3.394 2.667 8.990) 9.973 5.311 ( -1.582 -4.504 0.738) 4.831 5.436 ( -7.729 -3.641 13.191) 15.717 5.613 ( -5.314 -9.375 9.608) 14.438 6.059 ( -9.326 -9.235 14.181) 19.322 6.210 ( 0.165 9.591 9.106) 13.226 6.471 ( -6.422 24.930 13.719) 29.171 7.095 ( 1.249 -10.932 -0.147) 11.004 7.426 ( 8.707 9.551 -0.876) 12.954 7.512 ( 1.648 2.988 -6.689) 7.509 7.879 ( -4.957 2.721 -8.286) 10.032 8.342 ( -1.932 -8.436 6.002) 10.532 8.547 ( -3.583 -6.228 2.682) 7.669 8.700 ( 8.627 3.297 -14.839) 17.479 9.169 ( -4.895 6.049 0.729) 7.815 9.629 ( 4.353 -4.701 0.594) 6.435 10.157 ( -0.587 -3.037 0.457) 3.126 10.756 ( 4.877 -15.434 -15.149) 22.170 10.795 ( -6.993 10.357 13.082) 18.092 11.144 ( 4.609 -13.567 -3.873) 14.842 11.794 ( -0.686 -3.505 -8.640) 9.349 11.858 ( 2.522 -1.061 -7.643) 8.118 11.970 ( -1.293 9.134 -8.574) 12.594 12.672 ( -0.295 -0.840 2.079) 2.261 12.763 ( 2.302 0.639 0.004) 2.389 13.195 ( 0.654 -3.283 1.581) 3.702 13.280 ( 0.913 -0.859 2.799) 3.067 13.574 ( -3.991 -0.243 4.083) 5.715 13.806 ( -5.017 4.186 7.295) 9.793 13.927 ( 2.299 -1.731 2.188) 3.616 14.177 ( -5.258 -2.201 7.180) 9.168 14.346 ( -2.473 -10.370 14.410) 17.925 14.701 ( 3.062 -11.706 7.175) 14.067 15.618 ( 6.267 1.218 -12.716) 14.229 16.017 ( 7.396 6.674 -6.918) 12.129 16.407 ( -0.816 -2.293 -10.319) 10.602 16.662 ( -8.197 -1.621 -7.371) 11.142 17.257 ( -5.159 -1.933 2.918) 6.234 17.556 ( -4.552 -5.214 5.162) 8.634 19.641 ( 11.501 7.464 2.834) 14.001 19.986 ( -7.939 12.506 2.855) 15.086 20.393 ( -3.049 0.816 4.018) 5.110 21.090 ( 10.015 -2.329 -3.640) 10.908 21.893 ( -12.382 -1.394 8.489) 15.077 23.146 ( 15.445 0.140 -15.256) 21.710 ======================= Grid point 153 (77/201) ======================= q-point: (-0.25 0.25 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -8.207 21.009 4.685) 23.036 2.054 ( -5.166 17.429 10.258) 20.874 2.487 ( -0.586 1.020 3.384) 3.583 2.661 ( -7.426 0.792 2.766) 7.964 3.026 ( 5.325 -3.944 -0.998) 6.701 3.251 ( 7.391 7.404 -1.844) 10.623 3.786 ( 6.000 1.056 -7.722) 9.836 3.992 ( 3.460 -4.661 -5.781) 8.192 4.358 ( -0.779 -1.794 7.335) 7.591 4.899 ( -3.364 4.365 5.015) 7.452 5.279 ( -1.742 11.982 9.567) 15.431 5.444 ( -11.273 -8.919 10.461) 17.778 5.843 ( -6.817 -21.741 8.663) 24.376 5.893 ( -1.727 17.857 6.731) 19.162 6.174 ( -2.826 16.693 10.795) 20.079 6.331 ( -5.970 -11.172 14.124) 18.972 7.238 ( -2.565 -9.498 -5.266) 11.159 7.312 ( 7.144 9.890 -3.769) 12.770 7.621 ( 8.054 -2.995 2.152) 8.859 7.692 ( -7.643 2.787 -6.746) 10.568 8.394 ( 1.691 3.235 -7.422) 8.271 8.593 ( -4.784 -3.738 4.197) 7.381 8.791 ( 5.195 -12.480 -2.785) 13.802 9.080 ( -0.753 -0.011 -0.673) 1.010 9.762 ( 2.057 -6.156 0.569) 6.515 10.200 ( 5.859 -0.764 -5.116) 7.816 10.588 ( -3.185 16.856 12.143) 21.017 10.946 ( 4.851 -11.488 -12.758) 17.840 11.388 ( 3.758 -11.865 1.565) 12.544 11.645 ( -9.087 12.021 -6.740) 16.508 11.801 ( 2.178 -0.791 -9.991) 10.256 11.896 ( 0.641 -1.750 -6.301) 6.571 12.657 ( -2.294 -3.098 -5.218) 6.488 12.812 ( 3.262 0.452 2.896) 4.386 13.169 ( -5.212 0.409 -2.762) 5.913 13.399 ( 4.970 -3.265 5.949) 8.411 13.583 ( -4.955 -4.306 5.858) 8.798 13.753 ( 1.794 5.301 6.200) 8.352 13.945 ( 0.329 2.399 3.257) 4.059 14.247 ( -1.236 -7.810 1.921) 8.137 14.513 ( -3.839 -5.403 10.826) 12.693 14.950 ( 2.701 -10.553 6.856) 12.872 15.609 ( 5.959 5.524 -5.520) 9.823 16.015 ( 16.076 2.847 -5.438) 17.208 16.404 ( 1.473 -4.037 -9.412) 10.346 16.540 ( -10.720 -3.337 -8.337) 13.984 17.237 ( -6.449 -2.545 2.372) 7.327 17.616 ( 0.976 -4.486 0.042) 4.592 19.578 ( -9.851 14.070 9.544) 19.650 19.780 ( 2.654 4.251 -0.089) 5.012 20.377 ( -1.972 0.792 5.529) 5.923 21.258 ( 14.170 -3.334 -4.366) 15.197 21.773 ( -16.064 0.466 7.432) 17.706 23.129 ( 5.259 7.109 -17.861) 19.930 ======================= Grid point 154 (78/201) ======================= q-point: (-0.12 0.25 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -6.255 16.543 9.732) 20.187 1.832 ( -2.153 15.385 17.365) 23.300 2.518 ( 4.243 -0.251 4.057) 5.876 2.645 ( -3.694 -3.740 4.878) 7.172 3.104 ( 2.233 -0.234 2.196) 3.141 3.213 ( 6.627 7.694 -2.942) 10.572 3.786 ( 5.662 1.369 -7.693) 9.650 4.086 ( 3.746 -2.611 -0.521) 4.596 4.361 ( -3.910 0.805 5.011) 6.406 4.846 ( -0.658 1.918 3.658) 4.182 5.089 ( -7.616 13.781 17.390) 23.459 5.514 ( -7.925 -6.626 10.107) 14.452 5.674 ( 0.714 12.817 -2.503) 13.079 5.951 ( -3.915 12.039 6.803) 14.371 6.214 ( -4.678 -25.497 9.983) 27.779 6.472 ( -3.644 -6.681 11.399) 13.706 7.263 ( -2.680 -6.056 -5.418) 8.556 7.319 ( 2.682 3.007 0.214) 4.034 7.450 ( -4.166 4.226 -5.546) 8.123 7.855 ( 4.598 -7.343 4.738) 9.875 8.293 ( 6.244 8.829 -9.014) 14.078 8.602 ( -5.474 -6.505 -2.124) 8.763 8.961 ( -1.526 -6.246 -3.390) 7.269 9.221 ( 3.862 -13.447 6.817) 15.563 9.788 ( -3.360 0.497 -5.745) 6.675 10.306 ( 5.632 2.241 10.250) 11.908 10.377 ( 2.092 10.089 1.828) 10.465 11.033 ( 5.233 1.288 -9.615) 11.023 11.307 ( -7.100 11.861 -10.497) 17.357 11.585 ( 6.640 -5.876 -1.521) 8.996 11.807 ( -2.714 -4.533 -1.264) 5.433 11.887 ( 1.653 -0.672 -7.251) 7.467 12.678 ( -0.645 -5.912 -6.538) 8.839 12.842 ( -0.764 0.553 5.905) 5.980 13.053 ( -10.514 1.106 -0.197) 10.574 13.499 ( 7.366 2.085 -2.381) 8.017 13.638 ( -6.504 -7.388 5.593) 11.321 13.741 ( 2.881 5.590 6.419) 8.987 13.935 ( 0.856 2.224 4.885) 5.435 14.346 ( 0.175 -4.996 -3.343) 6.014 14.485 ( -12.057 3.919 12.616) 17.886 15.056 ( -6.314 -1.502 -0.922) 6.556 15.559 ( 7.509 5.849 0.582) 9.536 16.220 ( 9.895 -2.813 0.211) 10.289 16.441 ( -3.471 -3.198 -6.419) 7.967 16.510 ( 11.926 -7.416 -6.837) 15.620 17.206 ( -6.901 -3.977 -2.271) 8.283 17.741 ( 7.793 -6.920 -1.162) 10.487 19.215 ( -17.511 14.061 4.800) 22.965 19.868 ( 5.882 -5.293 5.820) 9.823 20.381 ( -1.438 0.500 6.464) 6.641 21.433 ( 8.131 -1.991 -2.007) 8.608 21.621 ( -8.901 0.488 2.111) 9.160 22.852 ( -2.661 18.792 -18.647) 26.607 ======================= Grid point 158 (79/201) ======================= q-point: ( 0.38 0.38 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 6.810 0.000 4.678) 8.261 2.471 ( 9.399 0.000 5.702) 10.993 2.632 ( -9.344 -0.000 -3.646) 10.030 2.993 ( -1.147 -0.000 -0.253) 1.175 3.155 ( -1.446 -0.000 6.975) 7.124 3.548 ( 10.543 0.000 -18.152) 20.992 3.592 ( -0.823 -0.000 1.956) 2.122 3.926 ( -12.793 -0.000 16.218) 20.656 4.434 ( 4.458 0.000 -8.940) 9.990 4.787 ( 1.564 0.000 -5.339) 5.563 5.029 ( 3.537 0.000 17.465) 17.819 5.207 ( -5.470 -0.000 13.680) 14.733 5.686 ( -1.578 -0.000 13.375) 13.468 5.706 ( -9.814 -0.000 13.286) 16.518 6.220 ( -6.634 -0.000 7.559) 10.057 6.640 ( -1.320 -0.000 -1.276) 1.835 7.385 ( 2.699 0.000 5.093) 5.764 7.666 ( 5.939 0.000 -7.180) 9.319 7.667 ( 1.864 0.000 0.758) 2.012 7.998 ( -3.707 -0.000 -2.531) 4.489 8.451 ( -8.042 -0.000 1.984) 8.283 8.566 ( -5.825 -0.000 14.566) 15.687 8.641 ( 8.263 0.000 -12.425) 14.922 9.109 ( 2.241 0.000 8.229) 8.529 9.520 ( -1.092 -0.000 -4.266) 4.404 10.090 ( -13.704 -0.000 3.184) 14.069 10.162 ( -15.114 -0.000 8.797) 17.487 10.871 ( 7.727 0.000 -17.213) 18.868 11.006 ( 2.807 0.000 -11.426) 11.766 11.708 ( 0.449 0.000 -1.114) 1.201 11.884 ( 2.039 0.000 -2.211) 3.008 12.068 ( 11.628 0.000 -13.803) 18.048 12.579 ( 5.154 0.000 9.882) 11.145 12.821 ( -7.300 -0.000 8.677) 11.340 13.119 ( -2.910 -0.000 7.254) 7.816 13.367 ( 1.859 0.000 -2.380) 3.020 13.628 ( 3.202 0.000 4.752) 5.730 13.645 ( -5.906 -0.000 -5.850) 8.313 13.982 ( 3.774 0.000 1.324) 4.000 14.091 ( -17.642 -0.000 27.395) 32.585 14.239 ( -1.658 -0.000 13.664) 13.764 14.302 ( -8.216 -0.000 1.875) 8.428 15.711 ( 1.958 0.000 -23.244) 23.326 16.049 ( 6.745 0.000 -8.687) 10.998 16.505 ( -2.171 -0.000 -6.344) 6.705 16.709 ( -3.003 -0.000 -5.202) 6.007 17.305 ( -2.001 -0.000 3.210) 3.783 17.363 ( -10.547 -0.000 13.074) 16.798 19.672 ( 16.944 0.000 -3.360) 17.274 20.408 ( -0.418 -0.000 2.883) 2.914 20.426 ( -6.722 -0.000 -1.300) 6.846 21.065 ( 1.206 0.000 -8.633) 8.717 21.804 ( -2.477 -0.000 13.790) 14.011 22.926 ( 28.623 0.000 -13.042) 31.454 ======================= Grid point 159 (80/201) ======================= q-point: (-0.50 -0.62 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 0.056 1.492 0.297) 1.523 2.510 ( -2.644 1.907 -1.399) 3.547 2.558 ( 1.111 1.079 -1.139) 1.922 2.942 ( -3.229 1.149 -0.041) 3.428 3.081 ( -7.391 8.560 6.226) 12.910 3.507 ( 8.520 6.016 -16.103) 19.185 3.633 ( 3.109 -1.901 1.074) 3.799 3.916 ( -7.658 -3.980 12.028) 14.804 4.369 ( 6.786 10.045 -2.489) 12.375 4.866 ( 0.623 -8.476 -2.229) 8.787 5.168 ( -5.862 -3.824 19.846) 21.044 5.219 ( -0.469 -0.883 4.913) 5.013 5.657 ( -14.748 -1.916 17.162) 22.710 5.751 ( -2.077 -1.887 13.673) 13.958 6.255 ( -0.824 -4.197 7.254) 8.421 6.687 ( 0.153 -8.077 -2.978) 8.610 7.327 ( 0.058 15.263 6.708) 16.673 7.625 ( 3.013 6.967 -4.349) 8.749 7.709 ( 3.912 1.438 0.364) 4.184 7.904 ( -4.380 2.659 -2.313) 5.622 8.338 ( -1.396 1.491 -6.804) 7.104 8.450 ( -7.564 10.189 14.858) 19.540 8.753 ( 11.246 -3.261 -12.034) 16.790 9.233 ( 2.853 -2.562 6.292) 7.369 9.553 ( -4.362 -6.847 -4.755) 9.408 9.985 ( -6.490 -5.856 5.959) 10.579 10.117 ( -15.342 -12.356 4.581) 20.224 10.885 ( 6.467 -3.240 -14.441) 16.151 10.978 ( 0.230 -1.508 -10.394) 10.506 11.703 ( 2.308 1.975 -0.817) 3.146 11.890 ( -0.164 -0.349 -2.341) 2.373 12.111 ( 9.147 1.173 -14.679) 17.336 12.674 ( 1.105 0.245 2.253) 2.521 12.786 ( -1.428 0.363 4.688) 4.914 13.105 ( -7.792 -1.783 10.939) 13.548 13.339 ( -0.700 2.225 0.268) 2.348 13.553 ( -3.408 1.750 -1.242) 4.027 13.758 ( 3.976 -5.746 1.988) 7.264 14.009 ( 2.503 3.404 4.651) 6.284 14.089 ( -11.595 -4.880 24.497) 27.538 14.187 ( -6.725 2.225 5.417) 8.918 14.390 ( 1.424 -7.993 9.364) 12.393 15.615 ( 4.144 -0.605 -23.608) 23.977 16.096 ( 7.901 0.159 -6.997) 10.555 16.428 ( -2.140 1.878 -7.750) 8.257 16.627 ( -5.970 -0.523 -6.356) 8.736 17.267 ( -3.598 2.089 6.185) 7.454 17.390 ( -5.560 -5.042 8.801) 11.567 19.800 ( 10.922 2.897 -0.900) 11.336 20.294 ( -6.566 6.331 -1.060) 9.182 20.420 ( 0.282 0.637 2.701) 2.789 21.047 ( 4.459 -0.533 -7.124) 8.421 21.842 ( -7.061 -1.233 12.585) 14.483 23.164 ( 23.244 0.628 -11.085) 25.760 ======================= Grid point 160 (81/201) ======================= q-point: (-0.38 0.38 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -13.155 1.992 -1.793) 13.425 2.468 ( 2.287 9.719 0.025) 9.984 2.499 ( -0.798 1.431 -1.296) 2.089 2.822 ( -11.424 8.075 0.739) 14.009 2.967 ( 3.275 1.687 5.122) 6.310 3.445 ( 8.106 4.568 -11.471) 14.771 3.702 ( 3.329 -2.731 -1.227) 4.477 3.940 ( -2.349 -1.079 -0.144) 2.588 4.337 ( 5.120 4.713 6.765) 9.706 4.972 ( -1.509 -3.827 6.789) 7.938 5.205 ( -3.742 -1.717 -0.346) 4.132 5.277 ( -8.834 -8.560 11.720) 16.990 5.609 ( -11.605 -0.412 17.773) 21.230 5.861 ( -5.375 -8.558 14.859) 17.970 6.336 ( 1.309 0.874 6.061) 6.262 6.767 ( -0.760 3.877 0.341) 3.966 7.075 ( -1.574 13.915 8.244) 16.250 7.521 ( -0.957 3.950 -1.172) 4.230 7.697 ( 5.194 9.242 1.252) 10.675 7.828 ( -0.216 1.607 -8.601) 8.753 8.261 ( 1.745 1.182 -6.516) 6.848 8.421 ( -6.480 -6.148 10.602) 13.863 8.819 ( 12.792 4.197 -13.168) 18.832 9.200 ( -6.816 5.751 4.358) 9.926 9.606 ( 4.307 -4.871 -4.587) 7.957 10.065 ( -1.655 -7.585 1.688) 7.944 10.308 ( -9.969 -26.901 0.436) 28.692 10.921 ( -1.634 2.417 -3.151) 4.294 10.994 ( 5.909 -10.647 -8.668) 14.947 11.703 ( 3.241 0.692 -4.145) 5.306 11.851 ( -4.025 1.117 -2.813) 5.036 12.058 ( 4.824 6.887 -11.865) 14.543 12.610 ( -7.059 -1.204 -2.970) 7.752 12.845 ( 7.120 1.329 0.178) 7.246 13.125 ( -6.850 -4.101 8.884) 11.944 13.326 ( -1.108 -0.214 5.694) 5.805 13.500 ( -0.954 0.686 -0.489) 1.273 13.873 ( 1.420 -4.097 0.875) 4.423 14.005 ( 3.940 5.929 7.446) 10.301 14.129 ( -5.065 0.063 6.028) 7.874 14.241 ( -5.010 -11.129 19.574) 23.067 14.607 ( 3.544 -10.576 7.594) 13.494 15.594 ( 6.457 -4.091 -17.945) 19.505 16.134 ( 7.388 2.572 -5.587) 9.613 16.328 ( -2.713 0.421 -10.094) 10.461 16.520 ( -4.612 1.803 -5.445) 7.360 17.236 ( -3.725 1.421 6.228) 7.395 17.451 ( -3.432 -5.952 3.757) 7.831 19.842 ( 5.431 4.284 2.005) 7.202 20.069 ( -9.548 11.499 -0.225) 14.948 20.422 ( 0.869 1.990 3.326) 3.972 21.131 ( 9.329 -4.597 -5.846) 11.931 21.792 ( -12.656 1.186 10.983) 16.800 23.302 ( 16.106 4.608 -10.609) 19.829 ======================= Grid point 161 (82/201) ======================= q-point: (-0.25 0.38 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -12.809 10.181 0.285) 16.365 2.303 ( 0.525 14.874 4.063) 15.428 2.492 ( -1.165 -1.725 -1.055) 2.334 2.610 ( -8.528 3.917 4.446) 10.384 3.030 ( 2.299 -1.908 1.468) 3.329 3.429 ( 7.529 4.898 -5.340) 10.449 3.797 ( 5.280 -5.251 -4.909) 8.919 3.907 ( 0.251 -1.381 -7.437) 7.569 4.387 ( 0.367 1.364 9.617) 9.721 4.950 ( -5.020 5.695 4.054) 8.606 5.206 ( -8.067 -9.852 5.227) 13.765 5.405 ( -5.017 -9.204 9.969) 14.466 5.598 ( -7.132 -1.507 14.356) 16.101 6.002 ( -7.936 -6.942 13.982) 17.512 6.303 ( 0.417 7.543 5.893) 9.582 6.488 ( -4.512 22.679 11.979) 26.042 7.081 ( -0.398 -4.675 -4.771) 6.691 7.528 ( -3.331 -6.385 0.115) 7.203 7.572 ( 6.871 14.124 -1.845) 15.814 7.746 ( 4.227 5.266 -5.459) 8.683 8.291 ( -0.761 -6.374 -7.160) 9.616 8.542 ( -3.553 -8.048 14.452) 16.920 8.803 ( 12.046 5.711 -14.099) 19.404 9.064 ( -5.547 3.337 2.286) 6.865 9.716 ( 4.167 -4.897 -1.823) 6.683 10.167 ( 4.555 -5.682 -8.761) 11.393 10.521 ( -13.605 -17.516 -1.727) 22.246 10.879 ( 4.275 0.745 0.223) 4.345 11.236 ( 3.956 -15.530 1.402) 16.087 11.671 ( -8.034 7.719 3.880) 11.798 11.722 ( 3.892 1.284 -18.096) 18.554 11.964 ( 3.747 4.902 -3.599) 7.143 12.564 ( -2.592 -3.043 -4.841) 6.278 12.886 ( 4.279 2.206 0.259) 4.821 13.115 ( -6.065 0.426 2.868) 6.723 13.382 ( -3.580 -5.614 7.691) 10.173 13.519 ( 4.400 -1.163 -2.327) 5.112 13.903 ( 0.124 2.579 3.827) 4.617 14.020 ( 2.765 3.429 4.918) 6.602 14.140 ( -2.754 -4.134 7.107) 8.671 14.461 ( -0.603 -8.597 12.589) 15.256 14.831 ( 0.880 -10.683 3.919) 11.413 15.667 ( 4.757 -3.560 -8.370) 10.265 16.162 ( 9.989 -0.750 -5.286) 11.326 16.244 ( -7.543 -3.179 -10.132) 13.025 16.453 ( 6.491 2.944 -3.871) 8.111 17.191 ( -5.292 1.644 3.428) 6.516 17.541 ( 1.302 -7.129 0.337) 7.255 19.712 ( -13.070 17.203 2.678) 21.770 19.857 ( 0.497 2.263 3.265) 4.004 20.425 ( 1.223 2.355 4.892) 5.566 21.304 ( 8.573 -6.407 -4.015) 11.431 21.657 ( -11.983 2.260 6.973) 14.048 23.271 ( 8.371 11.102 -11.344) 17.945 ======================= Grid point 162 (83/201) ======================= q-point: (-0.12 0.38 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -7.377 12.382 3.741) 14.890 2.138 ( 4.116 14.945 9.804) 18.342 2.490 ( -4.545 -5.061 -0.427) 6.816 2.596 ( -0.306 -3.087 5.704) 6.494 3.083 ( 0.276 -2.923 -0.671) 3.012 3.395 ( 4.178 7.023 -0.248) 8.175 3.835 ( 5.267 1.835 -8.793) 10.413 3.993 ( 3.135 -10.623 -9.250) 14.431 4.348 ( -7.741 4.553 7.474) 11.684 4.872 ( -3.693 -0.092 7.961) 8.776 5.322 ( -5.543 -10.724 6.297) 13.615 5.378 ( -1.918 15.711 14.135) 21.221 5.766 ( -8.291 -23.296 11.400) 27.229 5.894 ( -4.008 15.327 6.294) 17.047 6.227 ( -2.064 13.496 8.562) 16.115 6.364 ( -5.763 -7.560 14.643) 17.458 7.092 ( -0.620 -4.704 -8.369) 9.620 7.409 ( -1.997 6.014 -7.704) 9.975 7.517 ( 3.734 8.330 -1.511) 9.253 7.845 ( 6.320 -6.743 5.243) 10.625 8.313 ( -0.557 -3.522 -6.306) 7.244 8.596 ( -0.183 6.963 4.775) 8.445 8.852 ( 2.476 -4.408 -4.573) 6.817 9.075 ( 0.624 -11.389 1.273) 11.477 9.756 ( -0.244 2.471 -4.945) 5.533 10.287 ( 7.431 -9.882 -8.170) 14.820 10.478 ( -12.156 -0.308 1.831) 12.297 10.997 ( 5.360 -4.475 -0.482) 6.999 11.379 ( -8.576 10.524 0.192) 13.577 11.535 ( 3.195 -11.137 3.761) 12.181 11.695 ( 8.707 0.240 -18.565) 20.507 11.950 ( 2.380 2.826 3.295) 4.950 12.577 ( 0.324 -3.836 -5.064) 6.361 12.892 ( 1.678 2.319 2.400) 3.735 13.006 ( -7.309 5.014 1.705) 9.026 13.470 ( -4.638 -8.177 3.551) 10.050 13.574 ( 5.520 -0.040 -5.521) 7.807 13.869 ( -1.106 4.444 5.484) 7.145 14.014 ( 1.161 3.157 5.351) 6.320 14.241 ( -2.782 -6.741 7.528) 10.481 14.533 ( -2.811 4.752 6.483) 8.516 14.935 ( -5.474 -4.364 -1.154) 7.095 15.668 ( 2.505 1.135 -5.175) 5.860 16.137 ( -9.727 -4.434 -8.377) 13.581 16.340 ( 6.167 -4.862 2.225) 8.163 16.618 ( 23.955 -5.827 -4.127) 24.997 17.100 ( -6.439 0.933 -3.093) 7.204 17.707 ( 6.734 -8.643 0.629) 10.974 19.290 ( -14.748 17.737 2.792) 23.236 19.880 ( -0.721 -1.993 7.149) 7.456 20.432 ( 0.564 2.352 5.981) 6.452 21.339 ( -15.089 -1.460 5.415) 16.097 21.660 ( 13.850 -2.539 -6.349) 15.446 23.054 ( 3.242 18.387 -11.654) 22.010 ======================= Grid point 167 (84/201) ======================= q-point: (-0.50 -0.50 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -13.259 -0.000 -1.495) 13.343 2.522 ( -5.639 -0.000 -7.660) 9.511 2.619 ( 8.165 0.000 -1.155) 8.246 2.873 ( -5.928 -0.000 -1.260) 6.060 3.115 ( -6.738 -0.000 6.069) 9.068 3.531 ( 2.301 0.000 -13.132) 13.332 3.659 ( 2.392 0.000 3.660) 4.373 3.887 ( -3.537 -0.000 10.955) 11.512 4.557 ( 10.251 0.000 -1.605) 10.376 4.771 ( 1.204 0.000 -4.561) 4.717 5.194 ( -8.208 -0.000 13.118) 15.474 5.209 ( -5.430 -0.000 15.264) 16.201 5.503 ( -16.692 -0.000 12.637) 20.936 5.842 ( 0.473 0.000 16.427) 16.434 6.270 ( 2.982 0.000 6.950) 7.562 6.613 ( 1.157 0.000 -2.208) 2.492 7.472 ( 0.195 0.000 4.273) 4.277 7.644 ( -4.240 -0.000 -1.273) 4.427 7.789 ( 9.671 0.000 -4.890) 10.837 7.877 ( -2.919 -0.000 -3.381) 4.467 8.268 ( -10.429 -0.000 7.521) 12.858 8.642 ( 1.943 0.000 11.335) 11.500 8.775 ( 13.689 0.000 -12.742) 18.701 9.304 ( -10.010 -0.000 -10.994) 14.868 9.339 ( 10.429 0.000 0.471) 10.440 9.892 ( -16.941 -0.000 13.893) 21.909 9.899 ( -6.133 -0.000 6.769) 9.134 10.843 ( 5.477 0.000 -15.470) 16.411 10.894 ( 1.738 0.000 -16.655) 16.746 11.778 ( 2.769 0.000 5.765) 6.395 11.844 ( -3.395 -0.000 -3.857) 5.139 12.155 ( 10.102 0.000 -15.484) 18.488 12.587 ( -12.667 -0.000 -1.743) 12.787 12.866 ( 8.173 0.000 -2.491) 8.545 13.046 ( -10.425 -0.000 20.448) 22.952 13.299 ( -6.063 -0.000 0.238) 6.068 13.609 ( 3.595 0.000 1.716) 3.984 13.745 ( 2.071 0.000 -1.337) 2.465 14.035 ( -11.236 -0.000 21.752) 24.482 14.069 ( 0.391 0.000 5.290) 5.304 14.179 ( -1.274 -0.000 0.067) 1.276 14.443 ( 4.971 0.000 17.286) 17.987 15.515 ( 3.761 0.000 -25.523) 25.798 16.157 ( 8.088 0.000 -5.740) 9.918 16.364 ( -4.071 -0.000 -8.162) 9.121 16.560 ( -0.748 -0.000 -2.849) 2.946 17.283 ( -2.452 -0.000 3.564) 4.326 17.330 ( -5.443 -0.000 8.166) 9.814 19.905 ( 3.994 0.000 0.871) 4.088 20.251 ( -6.984 -0.000 -2.735) 7.500 20.459 ( 2.248 0.000 3.335) 4.022 21.049 ( 5.213 0.000 -7.446) 9.089 21.820 ( -8.807 -0.000 11.966) 14.857 23.375 ( 19.568 0.000 -7.309) 20.889 ======================= Grid point 168 (85/201) ======================= q-point: (-0.38 -0.50 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -15.793 -1.714 0.670) 15.900 2.381 ( -10.867 -2.651 -8.491) 14.043 2.656 ( 7.507 7.068 -2.845) 10.696 2.783 ( -7.281 2.486 -1.233) 7.792 3.039 ( -3.564 2.682 5.548) 7.119 3.461 ( 0.101 1.110 -10.078) 10.140 3.708 ( 1.093 -1.151 2.675) 3.111 3.918 ( -3.002 -1.052 5.948) 6.746 4.553 ( 7.730 9.972 1.303) 12.684 4.880 ( 2.053 -9.731 -0.515) 9.959 5.138 ( -12.197 -1.882 19.415) 23.006 5.226 ( -1.417 3.858 -5.300) 6.707 5.412 ( -19.625 -7.143 20.294) 29.121 5.920 ( 1.022 2.005 15.961) 16.119 6.377 ( 3.969 -1.965 5.979) 7.441 6.695 ( 2.753 -8.154 -1.792) 8.791 7.365 ( -3.582 16.085 6.974) 17.894 7.536 ( -6.465 3.775 -2.606) 7.927 7.804 ( -1.000 3.533 -1.327) 3.904 7.864 ( 8.567 2.281 -3.485) 9.526 8.214 ( -4.492 -3.127 1.202) 5.604 8.549 ( 5.667 16.600 4.917) 18.217 8.935 ( 12.627 -1.737 -9.028) 15.620 9.168 ( -9.207 -2.131 -3.196) 9.976 9.518 ( 7.563 -9.274 -11.383) 16.516 9.879 ( -12.987 -12.914 15.383) 23.918 9.954 ( -1.448 -7.380 5.837) 9.520 10.843 ( 2.384 -2.686 -16.441) 16.829 10.884 ( 4.943 -6.803 -8.478) 11.941 11.756 ( -3.929 0.747 -6.104) 7.297 11.821 ( 0.805 3.399 6.821) 7.663 12.145 ( 6.051 5.003 -12.086) 14.412 12.446 ( -11.125 -4.093 -2.493) 12.113 12.904 ( 0.971 -0.855 -1.459) 1.950 13.091 ( -2.700 0.322 16.336) 16.560 13.264 ( -4.173 -4.378 0.214) 6.052 13.601 ( 3.880 6.402 1.663) 7.669 13.785 ( -1.549 -5.193 -2.288) 5.883 14.079 ( -7.365 -5.869 16.322) 18.844 14.123 ( -2.893 -3.202 8.826) 9.825 14.175 ( 3.403 0.975 1.737) 3.943 14.628 ( 7.495 -2.088 14.260) 16.244 15.461 ( 2.655 -5.537 -20.009) 20.930 16.212 ( 6.888 0.741 -5.134) 8.622 16.239 ( -6.345 1.863 -9.511) 11.584 16.565 ( 6.675 2.995 -0.396) 7.327 17.250 ( -4.056 2.162 4.680) 6.560 17.349 ( -2.793 -5.124 2.356) 6.293 19.918 ( -0.930 1.378 2.590) 3.078 20.094 ( -8.793 7.208 -2.817) 11.713 20.496 ( 2.713 1.859 4.427) 5.515 21.120 ( 7.557 -4.556 -5.944) 10.639 21.739 ( -12.263 2.319 9.609) 15.750 23.512 ( 14.483 4.672 -4.995) 16.017 ======================= Grid point 169 (86/201) ======================= q-point: (-0.25 -0.50 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -16.580 0.368 1.130) 16.623 2.319 ( -9.741 -9.131 -2.535) 13.590 2.535 ( -1.929 9.666 -2.931) 10.284 2.653 ( 0.311 8.245 2.679) 8.675 3.033 ( -0.992 -0.496 2.453) 2.692 3.426 ( -1.430 -3.880 -7.404) 8.480 3.759 ( 1.871 -3.121 -0.321) 3.653 3.886 ( -3.775 1.574 1.276) 4.284 4.520 ( 4.246 7.110 3.810) 9.116 4.991 ( -10.133 7.155 -5.084) 13.405 5.036 ( 0.365 -5.780 6.382) 8.618 5.206 ( -7.501 -10.319 13.255) 18.396 5.498 ( -13.106 -12.139 18.374) 25.626 5.985 ( 0.514 2.079 14.158) 14.319 6.430 ( 2.576 3.328 1.606) 4.505 6.755 ( -1.866 8.863 2.128) 9.304 7.103 ( -2.600 11.669 6.619) 13.665 7.422 ( -5.150 -0.881 -1.844) 5.541 7.749 ( 1.693 3.165 -3.297) 4.873 7.869 ( 5.150 6.656 -0.996) 8.475 8.230 ( 3.405 -0.623 -7.262) 8.045 8.494 ( 2.740 -0.458 8.009) 8.477 8.964 ( 6.580 6.089 -7.311) 11.568 9.080 ( -2.844 3.825 0.595) 4.804 9.671 ( 5.667 -8.437 -4.546) 11.134 10.049 ( -11.841 -13.128 3.977) 18.121 10.086 ( 2.799 -12.702 -6.880) 14.715 10.863 ( 4.179 -5.487 -8.334) 10.818 11.077 ( 6.130 -12.631 -1.450) 14.114 11.648 ( -6.598 1.038 -6.336) 9.206 11.797 ( 4.202 6.466 1.050) 7.783 12.054 ( 1.013 5.241 -1.023) 5.435 12.438 ( -2.766 -6.589 -3.746) 8.068 12.934 ( 0.567 -2.350 0.810) 2.550 13.092 ( -4.455 3.327 8.852) 10.453 13.316 ( 0.861 -3.966 -1.522) 4.334 13.570 ( 2.903 2.462 -1.642) 4.145 13.837 ( -2.702 -5.792 0.698) 6.429 14.126 ( -1.198 2.002 4.815) 5.351 14.160 ( -1.244 -0.146 11.632) 11.700 14.328 ( -2.070 -13.973 8.960) 16.727 14.799 ( 6.936 -1.348 5.738) 9.102 15.527 ( 0.677 -10.204 -9.327) 13.841 16.063 ( -8.596 1.588 -10.035) 13.308 16.262 ( 7.327 -0.118 -3.361) 8.062 16.632 ( 14.815 4.048 0.017) 15.358 17.167 ( -6.880 2.626 0.806) 7.408 17.454 ( 2.797 -8.121 1.309) 8.688 19.794 ( -12.175 13.738 -2.376) 18.510 19.895 ( -3.434 2.002 5.643) 6.902 20.516 ( 2.121 2.971 5.771) 6.829 21.246 ( 0.525 -4.769 -0.651) 4.842 21.619 ( -5.242 0.529 2.324) 5.759 23.501 ( 8.642 11.920 -4.477) 15.389 ======================= Grid point 170 (87/201) ======================= q-point: (-0.12 -0.50 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -11.556 1.497 2.603) 11.940 2.322 ( -9.791 -6.411 -0.345) 11.708 2.425 ( 3.662 6.260 5.069) 8.849 2.590 ( 2.465 2.959 1.954) 4.319 3.035 ( -2.355 -1.437 0.158) 2.763 3.421 ( -6.684 -3.677 -0.866) 7.678 3.829 ( -0.643 -1.098 -5.788) 5.926 3.861 ( 4.301 -5.619 -4.552) 8.413 4.413 ( -3.688 9.644 1.571) 10.443 4.847 ( -5.203 -1.195 6.606) 8.493 5.164 ( -3.077 -8.013 7.186) 11.194 5.403 ( -3.683 -17.167 9.204) 19.823 5.585 ( -7.567 -1.430 15.429) 17.244 6.001 ( -5.032 2.668 11.913) 13.205 6.345 ( -0.499 11.105 1.553) 11.224 6.504 ( -4.532 15.180 10.029) 18.750 7.037 ( 1.249 1.024 -2.447) 2.932 7.379 ( -2.585 0.605 -6.437) 6.963 7.703 ( 2.156 8.849 1.327) 9.204 7.845 ( 4.361 -2.921 -1.943) 5.597 8.257 ( 4.437 -1.238 -4.877) 6.709 8.652 ( 0.433 -6.409 11.229) 12.936 8.882 ( 0.503 5.462 -2.566) 6.055 8.999 ( 3.699 3.504 -6.522) 8.276 9.797 ( 4.068 2.079 -1.979) 4.978 10.068 ( -11.797 -14.073 -0.475) 18.370 10.254 ( 3.586 -11.523 -12.815) 17.603 11.008 ( 5.437 -6.428 2.862) 8.892 11.282 ( -0.160 -8.090 -4.970) 9.496 11.544 ( 0.150 2.190 0.738) 2.316 11.754 ( 8.820 3.800 -12.946) 16.120 12.042 ( 1.468 2.292 9.366) 9.754 12.497 ( 0.539 -5.102 -3.462) 6.189 12.974 ( 3.857 2.699 0.479) 4.732 13.005 ( -7.344 3.004 6.304) 10.135 13.360 ( -0.368 -3.267 -0.897) 3.408 13.569 ( 1.776 -0.948 -8.018) 8.267 13.884 ( -2.204 -2.263 3.853) 4.982 14.099 ( -0.909 3.054 4.901) 5.846 14.206 ( -3.065 -0.729 12.744) 13.127 14.524 ( -2.479 -8.082 2.087) 8.708 14.870 ( 2.117 1.788 1.019) 2.952 15.597 ( -1.717 -5.131 -6.384) 8.368 15.923 ( -7.616 -3.597 -8.936) 12.280 16.386 ( 8.007 -4.020 2.794) 9.385 16.820 ( 22.098 -1.549 -1.366) 22.194 17.028 ( -7.775 2.900 -4.640) 9.507 17.656 ( 6.458 -9.665 1.954) 11.787 19.399 ( -12.848 17.184 0.947) 21.477 19.872 ( -4.574 -0.464 8.000) 9.227 20.518 ( 0.150 3.479 6.835) 7.671 21.184 ( -14.076 0.643 5.170) 15.009 21.716 ( 12.699 -6.518 -7.500) 16.124 23.323 ( 4.366 18.144 -5.247) 19.385 ======================= Grid point 176 (88/201) ======================= q-point: (-0.38 -0.38 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -19.035 -0.000 4.541) 19.569 2.125 ( -18.077 -0.000 -9.821) 20.573 2.689 ( -8.662 -0.000 -1.943) 8.878 2.815 ( 9.120 0.000 -4.170) 10.028 3.027 ( -2.879 -0.000 2.907) 4.092 3.388 ( -5.933 -0.000 -6.222) 8.597 3.735 ( 1.101 0.000 2.122) 2.390 3.876 ( -8.967 -0.000 10.066) 13.481 4.744 ( 0.834 0.000 -3.678) 3.771 4.796 ( 7.227 0.000 0.241) 7.231 5.117 ( -11.523 -0.000 13.155) 17.488 5.123 ( -9.424 -0.000 12.679) 15.798 5.333 ( -4.016 -0.000 1.744) 4.379 6.021 ( -1.375 -0.000 16.500) 16.557 6.478 ( 6.838 0.000 9.932) 12.058 6.643 ( 2.642 0.000 -1.551) 3.064 7.412 ( -10.105 -0.000 0.079) 10.105 7.517 ( -2.852 -0.000 2.140) 3.566 7.807 ( 1.494 0.000 -6.829) 6.991 7.983 ( 10.444 0.000 -3.663) 11.067 8.183 ( -6.488 -0.000 12.075) 13.708 8.825 ( -5.510 -0.000 -15.386) 16.343 8.910 ( 10.085 0.000 9.969) 14.180 9.035 ( 7.231 0.000 -9.783) 12.165 9.428 ( 3.334 0.000 -16.552) 16.885 9.807 ( -6.661 -0.000 21.502) 22.510 9.926 ( 0.403 0.000 8.472) 8.482 10.774 ( 5.291 0.000 -17.664) 18.439 10.851 ( 7.046 0.000 -4.481) 8.350 11.642 ( -8.222 -0.000 -6.849) 10.701 11.919 ( 2.861 0.000 4.715) 5.515 12.207 ( 8.061 0.000 -14.189) 16.319 12.250 ( -14.476 -0.000 7.951) 16.516 12.884 ( -4.111 -0.000 6.414) 7.618 13.156 ( -4.838 -0.000 0.166) 4.841 13.189 ( 2.979 0.000 9.155) 9.627 13.673 ( -3.041 -0.000 -6.794) 7.443 13.735 ( 2.826 0.000 4.358) 5.194 14.019 ( -7.876 -0.000 17.142) 18.864 14.090 ( -3.976 -0.000 4.504) 6.007 14.234 ( 5.363 0.000 -1.583) 5.592 14.823 ( 9.927 0.000 17.991) 20.548 15.332 ( 1.085 0.000 -16.144) 16.180 16.109 ( -9.236 -0.000 -10.795) 14.207 16.264 ( 6.077 0.000 -5.160) 7.973 16.716 ( 13.092 0.000 2.618) 13.351 17.226 ( -7.191 -0.000 -0.485) 7.207 17.297 ( 0.841 0.000 3.395) 3.498 19.910 ( -4.337 -0.000 3.467) 5.553 20.029 ( -8.720 -0.000 -4.483) 9.805 20.569 ( 1.591 0.000 6.813) 6.996 21.149 ( 9.144 0.000 -5.361) 10.600 21.646 ( -14.749 -0.000 7.034) 16.341 23.692 ( 12.151 0.000 -1.079) 12.199 ======================= Grid point 177 (89/201) ======================= q-point: (-0.25 -0.38 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -21.014 -1.729 4.235) 21.506 1.958 ( -18.526 -13.726 -2.137) 23.156 2.544 ( -8.669 3.996 0.257) 9.549 2.813 ( 1.696 4.620 -1.854) 5.259 3.046 ( 4.670 1.857 -1.035) 5.131 3.270 ( -12.548 -2.653 -2.053) 12.989 3.745 ( -0.049 -0.262 1.742) 1.762 3.838 ( -8.267 -1.369 8.139) 11.682 4.676 ( 2.461 6.412 -3.037) 7.509 4.844 ( -9.613 -3.547 -1.915) 10.424 5.070 ( 1.144 -1.183 1.060) 1.957 5.148 ( -2.724 0.563 3.967) 4.845 5.313 ( -6.555 -3.796 20.249) 21.620 6.093 ( -2.045 -0.301 15.659) 15.794 6.525 ( 4.320 5.666 1.004) 7.196 6.776 ( 3.448 -6.246 3.708) 8.040 7.263 ( -9.419 5.012 3.458) 11.216 7.397 ( -3.618 9.926 1.643) 10.692 7.771 ( 1.937 2.456 -6.384) 7.109 8.028 ( 5.223 6.959 0.487) 8.714 8.180 ( 0.591 -3.675 0.876) 3.824 8.676 ( 2.181 6.716 -8.596) 11.125 8.955 ( -2.758 -0.366 7.715) 8.202 9.146 ( 10.961 1.334 -11.932) 16.257 9.514 ( 1.845 -14.081 -4.078) 14.775 9.849 ( -2.287 -3.139 7.184) 8.167 10.015 ( 1.841 -2.787 1.380) 3.614 10.792 ( 7.650 -4.322 -11.335) 14.342 11.025 ( 11.713 -7.807 0.717) 14.095 11.516 ( -7.680 -1.956 -7.395) 10.839 11.911 ( 2.711 3.736 -7.304) 8.641 12.145 ( -1.663 4.475 12.682) 13.551 12.299 ( -0.121 -6.949 1.019) 7.024 12.887 ( -3.645 -2.293 7.979) 9.067 13.158 ( -1.082 0.035 3.578) 3.738 13.254 ( 2.442 -3.117 -0.579) 4.003 13.588 ( -2.851 1.480 -7.003) 7.704 13.779 ( 0.555 -1.323 4.201) 4.440 14.073 ( -7.091 -7.619 13.486) 17.035 14.102 ( -5.481 -3.941 6.666) 9.487 14.292 ( 6.506 0.002 -1.455) 6.667 14.979 ( 8.998 5.364 9.806) 14.349 15.353 ( 1.113 -8.806 -4.804) 10.093 15.914 ( -11.450 1.181 -11.523) 16.287 16.309 ( 5.711 -0.937 -3.773) 6.908 16.879 ( 15.892 2.989 3.493) 16.544 17.109 ( -7.235 2.160 -4.504) 8.792 17.393 ( 4.056 -6.723 2.956) 8.390 19.813 ( -9.222 8.329 -3.292) 12.855 19.888 ( -6.576 0.855 4.132) 7.813 20.602 ( -0.998 1.731 8.578) 8.808 21.224 ( 1.974 1.437 -0.744) 2.552 21.532 ( -6.691 -4.429 0.115) 8.024 23.750 ( 8.769 9.102 -0.161) 12.640 ======================= Grid point 178 (90/201) ======================= q-point: (-0.12 -0.38 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -17.486 -6.749 4.560) 19.289 2.018 ( -15.659 -16.774 3.686) 23.241 2.441 ( -3.192 -0.191 3.746) 4.925 2.753 ( 1.792 4.473 -0.498) 4.844 3.031 ( 2.105 3.621 -1.576) 4.476 3.177 ( -17.608 -7.520 4.458) 19.658 3.780 ( 2.005 -2.826 -4.694) 5.834 3.815 ( -3.615 -1.498 5.213) 6.519 4.505 ( -5.420 8.804 -7.670) 12.873 4.793 ( -3.459 -2.710 4.192) 6.073 5.115 ( 0.089 -0.298 5.310) 5.319 5.224 ( -1.305 -10.047 8.794) 13.416 5.457 ( -5.533 -9.942 14.567) 18.484 6.109 ( -3.269 5.810 12.213) 13.914 6.475 ( 1.597 4.813 -2.060) 5.474 6.719 ( -4.555 16.067 4.781) 17.371 7.135 ( -0.213 8.678 6.542) 10.870 7.306 ( -1.716 -3.973 -2.703) 5.102 7.751 ( 1.355 -1.102 -2.862) 3.353 7.923 ( -0.094 10.374 -1.440) 10.473 8.267 ( 5.350 -3.865 -8.242) 10.558 8.649 ( 5.231 -1.714 2.076) 5.883 8.939 ( -4.940 4.557 10.534) 12.495 9.132 ( 8.177 6.549 -12.161) 16.051 9.716 ( -5.432 -13.899 9.425) 17.650 9.914 ( 2.435 2.573 0.219) 3.550 10.064 ( 4.632 -9.790 -15.917) 19.252 10.966 ( 7.264 -9.532 1.246) 12.049 11.201 ( 5.844 -2.104 -9.185) 11.088 11.508 ( 2.219 -7.184 -5.088) 9.078 11.836 ( 3.808 4.759 -10.321) 11.986 12.162 ( 1.583 2.919 10.685) 11.189 12.429 ( 3.549 -4.639 5.558) 8.063 12.961 ( -4.081 -4.052 12.968) 14.186 13.096 ( 2.415 7.229 -1.642) 7.796 13.330 ( 1.662 -1.711 -4.242) 4.867 13.515 ( -0.656 -1.364 -7.259) 7.415 13.837 ( -1.442 -3.379 4.019) 5.445 14.104 ( -6.954 -1.623 6.391) 9.583 14.215 ( -2.335 -5.815 11.407) 13.015 14.388 ( 5.671 -5.487 -1.416) 8.017 15.004 ( 4.735 6.662 3.760) 8.997 15.474 ( -0.327 -6.154 -0.904) 6.229 15.727 ( -9.968 -3.176 -10.509) 14.829 16.412 ( 6.469 -5.088 0.293) 8.236 16.946 ( -9.293 2.531 -3.371) 10.204 17.060 ( 20.078 1.780 -2.460) 20.306 17.600 ( 6.109 -9.440 2.734) 11.572 19.500 ( -9.982 14.655 -0.503) 17.739 19.842 ( -7.309 -0.403 7.754) 10.664 20.583 ( -5.564 2.609 9.347) 11.186 21.112 ( -7.808 4.463 2.724) 9.397 21.676 ( 9.337 -10.795 -7.168) 15.971 23.617 ( 3.937 17.623 -2.562) 18.238 ======================= Grid point 185 (91/201) ======================= q-point: (-0.25 -0.25 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -25.377 -0.000 -1.872) 25.446 1.584 ( -22.474 -0.000 15.442) 27.267 2.476 ( -9.860 -0.000 5.392) 11.238 2.794 ( -4.823 -0.000 -0.753) 4.881 3.032 ( -24.618 -0.000 5.323) 25.186 3.170 ( 12.607 0.000 -7.606) 14.724 3.754 ( -0.132 -0.000 -0.272) 0.303 3.792 ( -5.574 -0.000 11.267) 12.571 4.626 ( -14.596 -0.000 -8.285) 16.783 4.753 ( 2.463 0.000 -1.662) 2.971 5.063 ( -6.732 -0.000 12.405) 14.114 5.140 ( 6.490 0.000 -5.687) 8.629 5.416 ( 3.148 0.000 11.411) 11.837 6.109 ( -6.051 -0.000 14.760) 15.952 6.673 ( 0.989 0.000 -1.609) 1.889 6.762 ( 6.707 0.000 10.038) 12.072 7.175 ( -8.432 -0.000 0.037) 8.432 7.476 ( -4.641 -0.000 5.918) 7.521 7.781 ( 3.925 0.000 -9.980) 10.724 8.158 ( 7.963 0.000 -7.460) 10.912 8.191 ( -4.890 -0.000 12.189) 13.133 8.532 ( -3.571 -0.000 -6.443) 7.367 9.147 ( 8.212 0.000 -9.958) 12.907 9.192 ( 8.387 0.000 -11.395) 14.149 9.358 ( 2.144 0.000 6.584) 6.924 9.851 ( -2.933 -0.000 4.695) 5.536 10.052 ( 3.641 0.000 3.413) 4.991 10.823 ( 11.309 0.000 -6.957) 13.278 11.126 ( 13.445 0.000 1.674) 13.549 11.360 ( -7.384 -0.000 -9.759) 12.238 11.898 ( 1.422 0.000 -9.098) 9.208 12.212 ( 5.353 0.000 -13.966) 14.957 12.376 ( 3.578 0.000 43.305) 43.453 12.882 ( -4.213 -0.000 12.269) 12.972 13.122 ( 2.634 0.000 -0.822) 2.760 13.282 ( -0.764 -0.000 2.244) 2.370 13.511 ( -3.197 -0.000 -7.770) 8.402 13.793 ( -1.182 -0.000 3.255) 3.463 13.970 ( -8.426 -0.000 1.250) 8.518 14.093 ( -0.779 -0.000 17.955) 17.972 14.365 ( 7.851 0.000 -3.173) 8.468 15.218 ( 8.540 0.000 11.490) 14.316 15.249 ( 0.332 0.000 -2.702) 2.722 15.701 ( -14.976 -0.000 -12.281) 19.368 16.337 ( 4.361 0.000 -3.394) 5.526 16.981 ( -9.956 -0.000 1.486) 10.066 17.140 ( 19.510 0.000 -6.421) 20.540 17.408 ( 4.800 0.000 4.886) 6.849 19.774 ( -7.505 -0.000 -4.924) 8.977 19.822 ( -6.951 -0.000 4.966) 8.543 20.622 ( -7.091 -0.000 10.897) 13.001 21.335 ( 10.418 0.000 -3.846) 11.105 21.345 ( -12.207 -0.000 0.975) 12.246 23.928 ( 8.338 0.000 -1.282) 8.436 ======================= Grid point 186 (92/201) ======================= q-point: (-0.12 -0.25 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -21.837 -7.824 8.932) 24.857 1.577 ( -19.865 -18.023 16.226) 31.348 2.422 ( -5.584 -1.378 9.864) 11.418 2.726 ( -10.076 -0.301 4.764) 11.150 2.814 ( -23.277 -6.065 8.720) 25.586 3.214 ( 10.266 5.741 -9.507) 15.124 3.750 ( 0.395 -0.840 -0.864) 1.269 3.807 ( -1.323 0.237 5.839) 5.991 4.405 ( -13.165 0.223 -6.765) 14.803 4.778 ( 1.345 -0.419 2.058) 2.494 5.125 ( -2.818 -7.283 10.217) 12.860 5.166 ( 3.966 1.395 -4.623) 6.249 5.460 ( 0.737 3.433 12.032) 12.534 6.133 ( -8.224 -2.664 13.113) 15.706 6.574 ( 1.492 8.609 -3.004) 9.239 6.891 ( 0.037 5.739 5.256) 7.783 7.137 ( -3.148 -8.172 2.661) 9.153 7.355 ( -3.679 11.951 6.204) 13.959 7.765 ( 4.183 1.404 -6.852) 8.149 8.063 ( -1.678 10.129 -0.305) 10.271 8.204 ( 1.615 -1.780 -7.788) 8.150 8.641 ( 3.485 -9.064 3.432) 10.299 9.062 ( 2.246 8.622 3.909) 9.729 9.187 ( 6.172 0.025 -14.734) 15.974 9.592 ( 1.400 -10.999 9.013) 14.288 9.853 ( 1.283 -4.479 -4.240) 6.299 10.072 ( 3.563 4.756 -0.707) 5.985 10.959 ( 8.391 -3.932 3.275) 9.828 11.203 ( 2.805 1.698 -14.841) 15.199 11.357 ( 3.738 -11.863 -7.402) 14.474 11.877 ( 3.376 2.155 -5.893) 7.125 12.195 ( 3.005 -0.544 -11.044) 11.458 12.638 ( 9.986 7.479 26.166) 28.988 12.968 ( 0.980 -1.900 20.722) 20.832 13.209 ( 1.632 4.675 -0.571) 4.985 13.280 ( 4.142 -6.393 -2.520) 8.024 13.445 ( -1.083 -1.815 -5.153) 5.569 13.797 ( -2.734 -1.097 2.319) 3.749 13.940 ( -7.601 -7.853 1.515) 11.033 14.256 ( 8.785 -3.022 18.486) 20.689 14.440 ( 8.289 -0.070 -3.101) 8.850 15.171 ( 1.101 7.386 3.966) 8.456 15.408 ( 1.919 -5.090 3.409) 6.420 15.471 ( -15.248 -3.862 -10.221) 18.759 16.399 ( 4.135 -4.217 -1.332) 6.055 16.846 ( -8.654 1.266 -4.764) 9.960 17.308 ( 18.209 3.363 -2.582) 18.696 17.561 ( 5.581 -6.966 3.629) 9.636 19.598 ( -3.829 10.583 -1.218) 11.320 19.769 ( -10.035 -0.927 6.061) 11.760 20.554 ( -12.763 0.959 10.210) 16.373 21.158 ( -2.183 7.212 1.008) 7.602 21.559 ( 7.911 -12.621 -5.562) 15.900 23.863 ( 0.738 13.719 -8.509) 16.161 ======================= Grid point 194 (93/201) ======================= q-point: (-0.12 -0.12 0.18) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -16.313 -0.000 23.094) 28.275 1.327 ( -18.139 -0.000 27.597) 33.024 2.360 ( -23.167 -0.000 34.080) 41.209 2.528 ( -13.845 -0.000 2.806) 14.126 2.702 ( -2.099 -0.000 0.505) 2.159 3.295 ( 7.248 0.000 -13.787) 15.576 3.749 ( 1.048 0.000 -1.280) 1.654 3.842 ( 0.820 0.000 5.634) 5.693 4.239 ( -9.738 -0.000 1.904) 9.922 4.803 ( 0.917 0.000 2.930) 3.070 5.098 ( -0.522 -0.000 8.413) 8.429 5.182 ( 2.794 0.000 -7.125) 7.653 5.565 ( -0.465 -0.000 6.140) 6.158 6.052 ( -11.954 -0.000 13.298) 17.881 6.654 ( -0.104 -0.000 -2.951) 2.953 6.934 ( -0.246 -0.000 5.336) 5.342 7.057 ( -2.916 -0.000 2.742) 4.002 7.444 ( -4.806 -0.000 8.276) 9.570 7.783 ( 5.645 0.000 -9.230) 10.819 8.117 ( 1.246 0.000 -13.327) 13.386 8.196 ( -5.346 -0.000 10.414) 11.706 8.636 ( 10.007 0.000 4.498) 10.972 9.151 ( 3.964 0.000 -14.745) 15.268 9.183 ( 3.713 0.000 -7.945) 8.770 9.529 ( -1.360 -0.000 12.288) 12.363 9.850 ( 1.454 0.000 3.023) 3.354 10.155 ( 4.551 0.000 -0.536) 4.582 11.031 ( -5.666 -0.000 7.077) 9.065 11.184 ( 14.187 0.000 -15.637) 21.114 11.226 ( 1.252 0.000 -11.814) 11.881 11.916 ( 3.407 0.000 -2.260) 4.089 12.154 ( 3.336 0.000 -14.911) 15.279 12.827 ( -4.406 -0.000 13.501) 14.202 13.207 ( -5.055 -0.000 1.833) 5.377 13.257 ( 8.948 0.000 -1.331) 9.046 13.349 ( 20.363 0.000 22.992) 30.713 13.383 ( -1.510 -0.000 -4.338) 4.593 13.778 ( -1.897 -0.000 0.719) 2.029 13.779 ( -7.210 -0.000 -0.101) 7.211 14.516 ( 7.954 0.000 -4.294) 9.040 14.549 ( 26.059 0.000 14.895) 30.015 15.184 ( -16.742 -0.000 -2.460) 16.922 15.257 ( -1.164 -0.000 5.628) 5.747 15.414 ( 1.965 0.000 5.253) 5.609 16.391 ( 2.069 0.000 -1.315) 2.451 16.740 ( -6.062 -0.000 -5.608) 8.258 17.538 ( 18.540 0.000 -5.726) 19.404 17.574 ( 2.140 0.000 4.785) 5.242 19.648 ( -14.161 -0.000 3.323) 14.546 19.706 ( 9.251 0.000 -0.840) 9.289 20.447 ( -13.752 -0.000 8.545) 16.191 21.224 ( -0.086 -0.000 2.851) 2.852 21.505 ( 7.448 0.000 -4.973) 8.956 23.814 ( -17.204 -0.000 -23.614) 29.216 ======================= Grid point 195 (94/201) ======================= q-point: ( 0.00 0.00 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -1.090 -0.000 26.360) 26.382 1.925 ( -3.238 -0.000 23.476) 23.698 2.531 ( 5.279 0.000 1.679) 5.540 2.757 ( 2.576 0.000 1.720) 3.097 2.986 ( 1.816 0.000 -9.569) 9.739 2.986 ( -6.228 -0.000 23.721) 24.525 3.715 ( 2.651 0.000 -3.511) 4.400 3.960 ( 6.077 0.000 -4.072) 7.315 4.492 ( 5.437 0.000 6.981) 8.849 4.917 ( -0.734 -0.000 0.463) 0.868 5.114 ( -9.995 -0.000 10.182) 14.268 5.337 ( -5.050 -0.000 13.766) 14.663 5.702 ( -6.113 -0.000 12.860) 14.239 6.091 ( -13.845 -0.000 9.385) 16.726 6.592 ( 0.863 0.000 1.386) 1.633 6.887 ( -9.559 -0.000 2.596) 9.905 7.209 ( 4.553 0.000 4.798) 6.614 7.526 ( -7.490 -0.000 7.334) 10.483 7.679 ( 7.822 0.000 -9.392) 12.223 7.822 ( 1.165 0.000 -9.462) 9.533 8.481 ( 1.550 0.000 7.978) 8.127 8.731 ( 7.262 0.000 -9.659) 12.085 8.738 ( 1.612 0.000 -12.194) 12.300 9.289 ( 4.314 0.000 3.668) 5.662 9.825 ( -14.086 -0.000 14.976) 20.560 10.091 ( 7.110 0.000 3.769) 8.047 10.342 ( 14.211 0.000 -4.902) 15.033 10.718 ( -6.311 -0.000 0.883) 6.372 10.873 ( -0.759 -0.000 -7.244) 7.283 11.464 ( 8.755 0.000 -3.743) 9.522 11.708 ( 6.052 0.000 -15.696) 16.822 11.888 ( -0.574 -0.000 -4.467) 4.504 12.954 ( -5.282 -0.000 5.473) 7.607 13.162 ( 3.226 0.000 -5.980) 6.794 13.188 ( -5.953 -0.000 6.251) 8.632 13.367 ( -14.895 -0.000 -1.685) 14.990 13.599 ( 4.026 0.000 3.519) 5.347 13.647 ( 0.750 0.000 -2.152) 2.279 14.155 ( -2.346 -0.000 18.876) 19.022 14.508 ( 5.277 0.000 -4.634) 7.023 14.522 ( -14.480 -0.000 1.994) 14.617 15.007 ( -2.124 -0.000 4.498) 4.975 15.533 ( -1.218 -0.000 7.930) 8.023 16.292 ( 26.829 0.000 8.365) 28.103 16.382 ( 1.823 0.000 -4.052) 4.443 16.425 ( 1.112 0.000 -8.005) 8.082 17.446 ( -14.397 -0.000 -2.832) 14.673 17.728 ( 18.722 0.000 -8.981) 20.765 19.159 ( -25.267 -0.000 -0.749) 25.278 20.016 ( 29.672 0.000 -15.323) 33.395 20.463 ( -4.824 -0.000 6.700) 8.256 21.397 ( 6.002 0.000 -10.768) 12.328 21.482 ( 5.310 0.000 8.562) 10.075 22.345 ( -42.129 -0.000 -7.868) 42.857 ======================= Grid point 196 (95/201) ======================= q-point: ( 0.12 0.00 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 0.534 7.815 20.962) 22.378 2.010 ( -3.004 -1.597 23.166) 23.414 2.640 ( 8.201 -1.360 2.954) 8.822 2.803 ( 3.744 1.034 2.148) 4.439 2.941 ( 0.237 0.224 -6.933) 6.941 3.104 ( 0.581 -4.653 11.284) 12.219 3.689 ( 2.754 3.414 -5.130) 6.750 4.043 ( 5.705 -2.500 -7.284) 9.584 4.557 ( 3.213 2.026 7.879) 8.747 4.904 ( -7.265 -0.813 6.993) 10.116 5.089 ( -6.201 -6.387 4.036) 9.775 5.400 ( -5.310 -5.521 15.765) 17.528 5.763 ( -2.223 -5.356 15.642) 16.682 5.961 ( -12.220 3.524 7.730) 14.882 6.590 ( 0.136 1.936 6.149) 6.448 6.859 ( -8.105 -6.388 2.793) 10.691 7.242 ( 3.431 8.526 6.096) 11.029 7.417 ( -1.629 4.653 1.511) 5.156 7.738 ( -7.162 2.270 -0.650) 7.541 7.817 ( 9.873 -6.685 -10.620) 15.967 8.312 ( 0.303 22.448 9.187) 24.257 8.524 ( 1.409 3.504 -18.831) 19.206 9.083 ( 6.167 -18.437 -4.439) 19.942 9.181 ( -0.847 14.389 0.316) 14.418 9.859 ( -9.787 -9.179 7.883) 15.562 10.172 ( 3.826 0.393 3.035) 4.899 10.445 ( 9.482 1.118 -9.544) 13.500 10.748 ( 2.556 -5.644 7.030) 9.370 10.844 ( -3.447 -4.467 -3.949) 6.887 11.551 ( 8.514 -1.331 -8.805) 12.320 11.706 ( 4.173 -1.070 -8.552) 9.576 11.856 ( -1.584 -1.781 -4.862) 5.415 12.854 ( -5.600 7.740 3.152) 10.060 13.048 ( -2.222 7.264 0.223) 7.600 13.153 ( -12.734 4.666 4.993) 14.452 13.275 ( 1.034 -7.351 -0.324) 7.430 13.686 ( 0.853 -2.556 -2.455) 3.646 13.689 ( 0.561 -5.304 2.947) 6.094 14.171 ( -6.694 0.653 11.998) 13.755 14.363 ( -3.769 3.717 3.871) 6.558 14.598 ( -4.948 -6.856 1.665) 8.617 15.000 ( -7.304 0.452 14.055) 15.846 15.555 ( 1.257 -0.417 -0.175) 1.336 16.293 ( -2.199 3.181 -13.214) 13.768 16.437 ( 4.731 2.717 3.475) 6.468 16.609 ( 21.101 1.269 3.972) 21.509 17.227 ( -13.866 2.845 -6.325) 15.504 17.866 ( 17.254 4.532 -6.936) 19.140 18.932 ( -20.075 -6.549 0.274) 21.118 20.167 ( 22.347 10.512 -13.296) 28.048 20.472 ( -1.472 -1.184 4.350) 4.743 21.402 ( 12.788 2.380 -7.863) 15.200 21.631 ( -5.628 -3.196 6.837) 9.415 21.984 ( -23.536 -15.634 -3.466) 28.467 ======================= Grid point 197 (96/201) ======================= q-point: ( 0.25 0.00 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 0.318 6.577 18.565) 19.698 2.151 ( 0.736 -3.477 18.075) 18.421 2.717 ( 4.185 7.019 1.360) 8.285 2.781 ( -0.051 3.204 2.852) 4.290 2.990 ( 5.580 -5.692 -5.342) 9.595 3.200 ( 2.803 -2.210 -1.419) 3.841 3.643 ( 2.686 2.144 -7.248) 8.022 4.012 ( 2.781 5.540 -12.610) 14.051 4.560 ( -8.031 3.661 13.354) 16.007 4.941 ( -1.199 -6.960 8.708) 11.211 5.204 ( -1.732 -12.696 1.074) 12.859 5.533 ( -6.197 -8.246 15.233) 18.397 5.809 ( -9.489 4.104 14.291) 17.639 5.968 ( -0.708 -11.683 13.835) 18.122 6.615 ( -4.611 0.186 11.499) 12.391 6.840 ( -1.783 6.792 6.544) 9.599 7.117 ( -2.207 4.800 -0.120) 5.285 7.413 ( 2.775 1.633 0.748) 3.305 7.507 ( -8.946 16.001 5.265) 19.073 8.005 ( 10.588 -8.988 -11.648) 18.127 8.095 ( 0.803 10.589 1.017) 10.668 8.415 ( 0.350 1.782 -9.996) 10.160 8.945 ( -1.994 10.968 -4.994) 12.215 9.323 ( 4.340 -9.093 -3.890) 10.800 9.777 ( -5.134 12.832 1.393) 13.891 10.257 ( 2.848 -7.897 -6.584) 10.668 10.414 ( 0.157 2.500 -10.911) 11.195 10.905 ( 1.599 -6.498 4.437) 8.030 10.963 ( 0.135 -11.266 6.722) 13.120 11.561 ( 7.846 5.633 -11.561) 15.065 11.753 ( 3.488 -2.252 -1.234) 4.331 11.893 ( -0.433 -8.556 -2.596) 8.952 12.694 ( -4.627 6.669 3.745) 8.939 12.902 ( -3.706 5.536 -2.595) 7.150 13.040 ( -3.958 3.333 8.101) 9.612 13.375 ( 0.261 -4.685 -2.891) 5.511 13.674 ( -1.738 2.270 -0.732) 2.951 13.781 ( -1.533 -5.975 1.905) 6.456 14.167 ( -3.677 -3.023 5.402) 7.200 14.360 ( 0.202 -0.251 10.646) 10.651 14.598 ( -9.957 -2.994 3.434) 10.950 14.971 ( -10.779 0.962 17.478) 20.558 15.562 ( 2.136 -0.153 -7.774) 8.064 16.111 ( -6.524 4.033 -12.556) 14.713 16.462 ( 4.855 3.489 2.352) 6.424 16.815 ( 19.296 4.331 2.019) 19.879 17.007 ( -9.619 2.590 -7.699) 12.590 17.916 ( 10.205 6.179 -3.614) 12.465 18.900 ( -9.180 -10.803 1.647) 14.271 20.139 ( 9.915 10.001 -5.249) 15.029 20.494 ( -0.934 -0.893 4.380) 4.566 21.473 ( -16.945 0.437 5.694) 17.881 21.536 ( 15.731 0.232 -9.809) 18.540 22.205 ( 2.894 -23.185 -3.265) 23.591 ======================= Grid point 198 (97/201) ======================= q-point: ( 0.38 0.00 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 1.517 3.460 15.334) 15.792 2.324 ( 4.658 -5.206 11.265) 13.255 2.564 ( -3.230 10.733 -0.313) 11.213 2.774 ( 0.491 3.470 3.481) 4.939 3.044 ( -0.800 0.534 -3.322) 3.459 3.282 ( 6.151 -5.369 -6.598) 10.497 3.612 ( 1.353 -0.230 -9.393) 9.493 3.859 ( 2.152 7.313 -12.781) 14.882 4.471 ( -10.776 2.010 13.656) 17.511 5.064 ( -0.719 -3.422 6.245) 7.157 5.396 ( -1.350 -11.321 -0.264) 11.405 5.548 ( -1.098 3.814 7.370) 8.371 5.895 ( -10.257 -14.408 24.165) 29.946 6.212 ( -1.869 -10.233 14.875) 18.151 6.449 ( -9.025 17.118 14.833) 24.383 6.814 ( -3.260 2.799 15.247) 15.841 7.094 ( -2.412 3.495 -0.030) 4.247 7.165 ( -3.164 11.583 0.972) 12.046 7.423 ( 2.650 -0.022 -5.996) 6.555 7.987 ( 2.954 5.501 -6.839) 9.261 8.173 ( 10.130 -3.461 -13.181) 16.981 8.413 ( 0.067 -6.530 -1.283) 6.655 8.790 ( -1.889 2.243 -4.866) 5.681 9.428 ( 2.064 13.411 3.475) 14.006 9.489 ( -3.652 -0.064 -5.784) 6.841 10.264 ( 3.193 6.889 -18.065) 19.596 10.347 ( 1.446 -2.575 -6.130) 6.804 11.033 ( 3.016 -1.683 6.044) 6.961 11.136 ( -6.030 -11.060 4.571) 13.401 11.489 ( 6.270 4.135 -8.748) 11.530 11.789 ( 3.952 4.749 0.871) 6.240 12.039 ( 1.307 -9.708 -3.105) 10.276 12.615 ( -2.864 2.000 7.153) 7.961 12.831 ( -0.236 -1.560 -1.532) 2.200 13.021 ( 1.024 1.932 4.715) 5.197 13.361 ( -3.006 -0.404 -7.635) 8.216 13.586 ( -2.564 5.980 1.681) 6.720 13.854 ( -0.228 -4.445 0.659) 4.499 14.231 ( 1.624 -2.778 5.102) 6.032 14.453 ( -8.651 -5.820 11.382) 15.435 14.508 ( -6.256 1.625 4.668) 7.973 14.919 ( -10.688 0.289 15.423) 18.766 15.518 ( 0.690 0.898 -10.741) 10.801 15.924 ( -4.768 4.201 -8.578) 10.676 16.484 ( 3.083 -0.485 -2.341) 3.902 16.831 ( 2.394 7.897 -10.012) 12.974 16.981 ( 10.303 -0.120 3.570) 10.905 17.899 ( 4.021 5.186 -1.481) 6.727 19.014 ( -1.385 -10.337 2.415) 10.705 20.080 ( 2.760 5.879 0.377) 6.506 20.537 ( -0.341 -2.632 5.063) 5.716 21.288 ( -18.691 -0.736 5.910) 19.617 21.677 ( 19.721 3.487 -10.492) 22.609 22.578 ( 6.196 -21.902 -4.151) 23.137 ======================= Grid point 199 (98/201) ======================= q-point: (-0.50 0.00 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 0.629 7.586 12.218) 14.395 2.363 ( -6.188 9.001 2.081) 11.119 2.537 ( 7.677 -7.540 4.222) 11.559 2.711 ( -2.880 6.156 4.680) 8.252 2.974 ( -4.693 1.099 -2.153) 5.280 3.333 ( -2.220 -0.380 -5.597) 6.033 3.590 ( 3.686 -2.324 -11.592) 12.384 3.776 ( 4.913 0.998 -9.446) 10.693 4.408 ( -6.680 1.301 9.262) 11.493 5.089 ( -4.556 1.118 9.034) 10.179 5.362 ( -2.039 7.247 4.114) 8.579 5.669 ( 2.229 -6.916 2.084) 7.559 6.047 ( -11.054 5.291 21.366) 24.632 6.210 ( -8.304 -7.643 20.403) 23.316 6.402 ( -7.170 6.305 13.543) 16.570 6.636 ( -10.328 6.238 15.283) 19.472 7.042 ( 3.907 1.513 0.589) 4.231 7.186 ( 4.364 -4.603 -2.342) 6.761 7.470 ( 0.156 -10.506 -7.587) 12.960 7.896 ( 1.381 5.645 -7.642) 9.601 8.172 ( 6.995 6.441 -13.676) 16.657 8.550 ( 5.446 -9.745 -11.507) 16.032 8.830 ( -0.979 -10.277 5.295) 11.602 9.116 ( -3.998 17.454 2.164) 18.037 9.611 ( 4.115 -8.915 -3.805) 10.531 10.085 ( 0.758 8.240 -12.511) 14.999 10.336 ( 7.267 8.228 -1.340) 11.059 11.059 ( -5.750 -0.445 -0.878) 5.833 11.166 ( 6.716 2.237 -3.859) 8.062 11.576 ( 2.384 -8.816 1.620) 9.275 11.698 ( 3.693 13.634 -0.265) 14.128 12.101 ( -0.364 -2.570 -10.611) 10.924 12.644 ( -0.777 -2.350 9.677) 9.989 12.878 ( -2.991 -4.158 1.122) 5.244 13.074 ( 5.756 -2.010 1.385) 6.253 13.302 ( -0.398 -2.893 -8.571) 9.055 13.477 ( -0.995 7.756 4.988) 9.275 13.906 ( 0.787 -1.900 -0.678) 2.165 14.300 ( -10.579 3.699 7.885) 13.703 14.341 ( 0.895 -3.990 -4.146) 5.824 14.538 ( -8.779 0.374 17.290) 19.395 14.936 ( -2.652 -4.953 10.447) 11.862 15.471 ( 0.359 -0.935 -6.300) 6.379 15.769 ( -2.909 6.455 -5.636) 9.050 16.517 ( -0.698 -5.207 -7.743) 9.357 16.699 ( 3.499 8.147 -7.613) 11.687 17.116 ( 10.736 0.331 1.301) 10.819 17.847 ( 0.171 4.405 -0.446) 4.430 19.170 ( 2.400 -7.977 2.281) 8.637 20.028 ( -1.825 3.827 3.231) 5.331 20.611 ( -1.824 -4.555 5.661) 7.491 21.134 ( -14.617 -0.936 5.223) 15.551 21.759 ( 16.449 6.896 -9.325) 20.126 22.920 ( 4.061 -19.733 -6.285) 21.104 ======================= Grid point 200 (99/201) ======================= q-point: (-0.38 0.00 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -3.067 13.663 12.556) 18.808 2.185 ( -9.735 6.810 7.794) 14.208 2.597 ( -4.106 6.253 5.015) 9.006 2.736 ( 6.818 -4.439 0.128) 8.136 2.906 ( -4.101 -1.869 -2.457) 5.133 3.228 ( -6.339 3.636 -0.011) 7.308 3.600 ( 2.791 -0.892 -9.806) 10.235 3.835 ( 6.444 -4.857 -6.459) 10.336 4.371 ( -2.615 2.272 5.098) 6.164 5.036 ( -5.702 4.802 11.709) 13.881 5.274 ( -0.915 5.423 5.108) 7.506 5.651 ( -1.623 11.943 8.004) 14.468 5.954 ( -14.042 6.897 24.420) 29.001 6.179 ( -5.826 3.131 7.824) 10.245 6.444 ( -5.719 -16.148 13.325) 21.703 6.645 ( -6.350 -2.519 7.030) 9.802 7.089 ( 2.770 -4.896 0.889) 5.696 7.339 ( 5.657 -4.673 3.315) 8.052 7.631 ( -1.963 -14.378 -4.884) 15.311 7.778 ( -1.215 2.981 -2.823) 4.281 8.040 ( 4.843 7.928 -17.510) 19.822 8.676 ( 8.047 -7.770 -17.707) 20.945 8.885 ( 0.217 11.336 0.177) 11.340 9.067 ( 1.015 -13.117 7.657) 15.222 9.763 ( 5.701 -5.939 -8.125) 11.567 9.938 ( 2.621 5.080 -3.956) 6.952 10.266 ( 5.544 14.473 10.223) 18.567 10.970 ( -3.632 0.791 -5.347) 6.512 11.229 ( 9.308 -0.057 -4.269) 10.241 11.489 ( 2.959 17.558 -3.909) 18.230 11.730 ( 1.500 -5.770 3.086) 6.713 12.014 ( -0.227 2.608 -15.704) 15.920 12.756 ( 0.946 -5.244 8.528) 10.055 12.893 ( -5.986 -6.737 -0.843) 9.051 13.159 ( 2.456 -1.932 -3.145) 4.433 13.375 ( 4.241 -6.308 -3.728) 8.466 13.427 ( 4.325 5.913 10.857) 13.098 13.911 ( -0.226 1.962 0.710) 2.099 14.114 ( -11.721 1.671 -1.777) 11.972 14.464 ( 10.969 -0.097 1.365) 11.054 14.480 ( -9.260 1.549 13.743) 16.644 15.088 ( 0.092 -8.211 11.488) 14.121 15.462 ( -2.665 1.067 -3.883) 4.829 15.613 ( -0.743 6.082 0.118) 6.128 16.522 ( -3.598 -6.417 -12.887) 14.838 16.592 ( 4.890 8.844 -4.188) 10.940 17.238 ( 9.181 -1.448 -1.406) 9.400 17.773 ( -2.470 3.575 0.376) 4.361 19.325 ( 5.508 -5.805 1.124) 8.081 19.942 ( -7.112 4.134 3.501) 8.940 20.653 ( -9.496 -4.240 6.955) 12.511 21.062 ( -4.366 -2.321 2.769) 5.667 21.754 ( 12.212 10.095 -7.638) 17.589 23.155 ( -2.664 -16.529 -10.999) 20.032 ======================= Grid point 201 (100/201) ======================= q-point: (-0.25 0.00 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -5.877 10.502 20.117) 23.442 2.011 ( -12.018 7.746 15.981) 21.444 2.516 ( -2.072 2.738 3.032) 4.581 2.765 ( -2.630 1.790 2.637) 4.132 2.952 ( 5.316 -4.934 -9.658) 12.078 3.105 ( -7.098 5.889 9.924) 13.548 3.607 ( 3.232 -2.636 -7.776) 8.824 3.939 ( 4.719 -1.923 -1.780) 5.398 4.335 ( -0.626 2.823 5.345) 6.077 4.970 ( -3.514 4.968 11.291) 12.827 5.226 ( -3.183 2.817 6.397) 7.680 5.490 ( -4.154 10.979 11.606) 16.508 5.789 ( -8.884 8.053 17.822) 21.480 6.230 ( -10.068 -9.389 5.487) 14.820 6.511 ( -2.194 2.982 5.320) 6.482 6.799 ( -3.861 -18.832 8.821) 21.151 7.210 ( 0.596 -2.448 0.149) 2.523 7.381 ( -0.919 1.862 2.871) 3.543 7.702 ( 6.644 -0.883 -4.840) 8.267 7.876 ( -3.266 -3.944 -0.342) 5.132 7.946 ( -0.157 -11.877 -5.616) 13.138 8.728 ( 1.446 -1.896 -15.931) 16.109 8.828 ( 11.572 0.497 -7.813) 13.971 9.207 ( 5.182 3.580 -2.590) 6.811 9.814 ( 2.146 -4.980 -1.050) 5.523 10.026 ( 8.188 -4.625 -0.564) 9.421 10.161 ( 1.022 15.103 17.852) 23.406 10.889 ( -2.981 0.950 -7.455) 8.085 11.214 ( -0.536 16.151 -1.592) 16.239 11.333 ( 9.910 0.371 -6.907) 12.085 11.784 ( 1.974 1.134 -5.959) 6.379 11.915 ( 2.487 0.867 -9.868) 10.213 12.887 ( -0.055 -5.164 6.240) 8.100 12.953 ( -5.664 -12.245 -2.945) 13.810 13.182 ( 2.244 -1.233 -2.209) 3.382 13.456 ( 4.778 -1.524 -3.441) 6.082 13.510 ( 0.152 0.530 11.835) 11.848 13.879 ( 0.964 2.733 5.412) 6.139 13.976 ( -6.568 2.673 0.359) 7.100 14.420 ( -2.324 0.191 0.295) 2.350 14.651 ( 13.614 -0.457 4.994) 14.508 15.251 ( -5.690 10.210 -10.102) 15.449 15.287 ( -1.871 -8.816 16.597) 18.886 15.661 ( 5.938 -1.358 10.162) 11.848 16.489 ( 3.606 1.909 -12.652) 13.294 16.499 ( -2.797 1.529 -4.261) 5.321 17.367 ( 9.456 -4.108 -4.739) 11.347 17.693 ( -4.878 2.026 1.077) 5.390 19.493 ( 10.810 -4.987 -1.649) 12.019 19.764 ( -14.954 4.785 2.075) 15.837 20.596 ( -12.902 -1.655 7.343) 14.937 21.124 ( 3.644 -4.432 0.426) 5.754 21.673 ( 8.479 11.944 -5.660) 15.704 23.180 ( -15.596 -10.120 -17.071) 25.240 ======================= Grid point 202 (101/201) ======================= q-point: (-0.12 0.00 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -3.311 -0.054 27.080) 27.282 1.895 ( -9.101 4.533 22.807) 24.970 2.495 ( 0.960 1.024 1.800) 2.283 2.737 ( -0.263 0.905 2.410) 2.588 2.994 ( -1.326 0.669 0.322) 1.520 3.009 ( -2.896 3.654 8.047) 9.300 3.664 ( 3.707 -3.918 -5.551) 7.740 3.961 ( 3.935 4.089 -0.847) 5.738 4.374 ( 3.192 -1.560 7.697) 8.478 4.932 ( -1.221 3.158 6.620) 7.435 5.175 ( -6.864 1.654 8.492) 11.044 5.374 ( -4.810 6.249 11.752) 14.152 5.721 ( -7.069 1.309 13.098) 14.941 6.194 ( -14.010 -1.607 8.096) 16.261 6.538 ( 0.017 -4.248 1.889) 4.649 7.009 ( -6.095 -2.890 5.675) 8.815 7.120 ( 1.124 1.937 1.038) 2.469 7.469 ( -3.287 -9.700 2.610) 10.569 7.693 ( 10.036 6.572 -10.289) 15.804 7.879 ( -3.326 -0.754 -1.853) 3.882 8.199 ( -0.389 -19.287 8.330) 21.013 8.689 ( 3.605 -2.651 -20.535) 21.017 8.914 ( 11.484 8.331 -4.476) 14.876 9.161 ( 4.279 -0.395 -2.835) 5.147 9.925 ( -5.003 -1.997 12.491) 13.603 10.036 ( 1.947 9.997 8.702) 13.396 10.195 ( 11.705 -1.131 -0.014) 11.760 10.798 ( -3.927 -0.018 -6.596) 7.677 10.981 ( -3.209 7.884 -5.899) 10.356 11.401 ( 10.066 3.650 -1.523) 10.815 11.734 ( 5.160 0.684 -16.835) 17.621 11.907 ( 1.079 0.186 -2.990) 3.184 12.950 ( -5.392 -4.667 4.028) 8.190 13.073 ( -0.605 -9.324 -1.939) 9.543 13.228 ( 1.290 -0.754 0.446) 1.559 13.458 ( -8.720 -4.984 -4.314) 10.931 13.543 ( 4.813 3.536 7.872) 9.882 13.778 ( -4.771 8.599 -2.364) 10.114 14.022 ( 2.653 -2.750 16.777) 17.206 14.430 ( 2.015 -3.359 -4.379) 5.875 14.732 ( -3.943 6.166 4.785) 8.744 15.026 ( 0.186 3.567 -8.478) 9.200 15.467 ( -0.548 -3.757 13.607) 14.127 15.905 ( 19.252 -4.086 13.049) 23.614 16.408 ( 1.861 4.769 -2.572) 5.729 16.461 ( 0.413 -2.069 -12.317) 12.496 17.522 ( 7.316 -5.765 -7.084) 11.702 17.613 ( -2.842 1.390 -0.549) 3.211 19.478 ( -22.042 3.943 -0.282) 22.394 19.729 ( 19.920 -5.285 -6.946) 21.748 20.512 ( -8.822 0.522 6.870) 11.194 21.259 ( 5.480 -6.804 -1.055) 8.800 21.552 ( 5.862 12.155 -3.050) 13.835 22.879 ( -33.178 -1.052 -17.233) 37.401 ======================= Grid point 204 (102/201) ======================= q-point: ( 0.12 0.12 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 1.268 0.000 21.132) 21.170 2.150 ( 2.626 0.000 16.389) 16.598 2.726 ( 8.834 0.000 0.556) 8.852 2.867 ( 4.311 0.000 -3.096) 5.307 2.932 ( 1.210 0.000 -0.203) 1.227 3.150 ( 3.175 0.000 8.406) 8.986 3.716 ( -0.255 -0.000 -2.001) 2.017 4.045 ( 6.882 0.000 -9.607) 11.817 4.635 ( -1.188 -0.000 7.576) 7.669 4.839 ( -3.213 -0.000 -4.341) 5.401 4.978 ( -9.840 -0.000 11.806) 15.369 5.396 ( -4.524 -0.000 16.942) 17.535 5.790 ( -1.119 -0.000 16.854) 16.891 5.905 ( -9.784 -0.000 8.851) 13.193 6.661 ( 1.171 0.000 5.133) 5.265 6.702 ( -10.014 -0.000 7.250) 12.363 7.398 ( 4.356 0.000 8.122) 9.216 7.454 ( -3.686 -0.000 5.775) 6.851 7.638 ( -2.111 -0.000 -9.124) 9.365 7.823 ( 8.466 0.000 -11.158) 14.006 8.472 ( 1.601 0.000 -16.860) 16.936 8.707 ( -1.586 -0.000 -6.150) 6.351 8.763 ( -0.890 -0.000 17.051) 17.074 9.405 ( 4.467 0.000 -1.987) 4.889 9.574 ( -17.608 -0.000 8.790) 19.680 10.290 ( 7.300 0.000 0.343) 7.308 10.459 ( 2.498 0.000 -11.899) 12.158 10.767 ( 5.337 0.000 6.820) 8.660 10.786 ( -2.371 -0.000 -3.497) 4.225 11.583 ( 8.768 0.000 -7.255) 11.381 11.708 ( 4.859 0.000 -9.045) 10.267 11.787 ( -2.247 -0.000 -6.538) 6.913 12.840 ( -10.681 -0.000 2.382) 10.944 13.090 ( -5.026 -0.000 6.446) 8.174 13.141 ( -7.635 -0.000 11.762) 14.022 13.174 ( 2.521 0.000 -3.229) 4.097 13.657 ( 0.806 0.000 0.640) 1.029 13.706 ( 4.660 0.000 -2.317) 5.204 14.059 ( -11.857 -0.000 -1.634) 11.969 14.394 ( -6.374 -0.000 17.400) 18.531 14.546 ( -0.380 -0.000 1.022) 1.090 14.996 ( -12.862 -0.000 24.711) 27.858 15.552 ( 3.243 0.000 -7.968) 8.602 16.181 ( -5.888 -0.000 -16.839) 17.839 16.552 ( 5.876 0.000 5.787) 8.248 16.789 ( 0.308 0.000 5.053) 5.063 17.113 ( 1.869 0.000 -9.613) 9.793 18.005 ( 2.352 0.000 -3.333) 4.080 18.748 ( 0.333 0.000 -1.337) 1.378 20.420 ( 18.657 0.000 -23.630) 30.107 20.461 ( -1.892 -0.000 5.325) 5.651 21.498 ( -22.968 -0.000 2.739) 23.131 21.550 ( 15.910 0.000 -8.525) 18.050 21.713 ( 4.506 0.000 12.476) 13.265 ======================= Grid point 205 (103/201) ======================= q-point: ( 0.25 0.12 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 3.441 8.737 14.507) 17.281 2.251 ( 4.274 -0.526 15.846) 16.421 2.813 ( 2.357 0.996 -1.690) 3.067 2.866 ( 0.140 2.480 0.000) 2.484 2.987 ( 9.758 -0.957 -0.330) 9.810 3.209 ( 3.299 0.343 -2.880) 4.393 3.663 ( -1.108 3.329 -3.221) 4.763 4.043 ( 3.859 3.224 -12.335) 13.321 4.593 ( -10.757 4.480 13.334) 17.708 4.839 ( -0.741 -7.941 -1.333) 8.087 5.037 ( -1.118 -8.721 8.073) 11.937 5.466 ( -5.630 -4.191 18.800) 20.067 5.831 ( -6.568 2.825 9.593) 11.965 5.921 ( -0.763 -5.875 16.759) 17.775 6.612 ( -7.572 0.844 11.681) 13.946 6.776 ( -2.550 -7.887 4.662) 9.510 7.319 ( -1.324 14.023 4.866) 14.902 7.482 ( 4.859 2.052 -1.301) 5.433 7.580 ( -4.566 2.170 1.306) 5.221 7.915 ( 8.254 -7.005 -10.273) 14.924 8.292 ( -1.240 15.091 -9.612) 17.935 8.456 ( 2.061 8.245 -1.519) 8.633 9.039 ( -9.318 1.606 6.428) 11.434 9.189 ( 1.259 -1.983 -2.243) 3.248 9.708 ( -4.992 -14.585 -0.970) 15.447 10.246 ( 0.068 8.547 0.882) 8.593 10.419 ( 2.007 2.797 -14.011) 14.428 10.731 ( -2.570 -5.097 -2.489) 6.227 10.973 ( 4.904 -10.108 6.220) 12.841 11.654 ( 6.345 1.358 -7.160) 9.663 11.707 ( 2.521 -0.712 -9.188) 9.554 11.776 ( 2.693 -5.527 -3.235) 6.947 12.703 ( -9.003 2.707 3.742) 10.119 12.998 ( 0.582 9.564 2.030) 9.794 13.097 ( -4.397 2.560 13.233) 14.178 13.278 ( 0.003 -6.187 -1.537) 6.375 13.697 ( -1.578 -4.073 3.700) 5.724 13.721 ( 3.259 3.276 -2.880) 5.445 13.991 ( -6.534 -9.147 -4.665) 12.171 14.413 ( -5.925 0.816 18.682) 19.616 14.535 ( -3.441 0.222 2.546) 4.286 14.953 ( -17.867 1.585 28.794) 33.924 15.538 ( 3.903 0.214 -13.847) 14.388 16.002 ( -5.724 1.283 -16.075) 17.112 16.575 ( 0.685 5.565 0.322) 5.616 16.769 ( -7.112 -5.819 -0.195) 9.191 17.145 ( 12.476 4.633 -4.086) 13.922 17.934 ( -11.054 -1.654 0.872) 11.211 18.875 ( 17.433 -0.342 -1.273) 17.482 20.351 ( 7.027 10.047 -13.612) 18.320 20.488 ( -0.929 -1.092 2.572) 2.945 21.275 ( -17.215 -0.193 4.559) 17.809 21.748 ( 22.819 1.769 -8.744) 24.501 21.974 ( 7.927 -16.145 6.582) 19.152 ======================= Grid point 206 (104/201) ======================= q-point: ( 0.38 0.12 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 5.431 7.502 12.886) 15.869 2.393 ( 5.218 -1.735 9.475) 10.955 2.711 ( -1.358 9.733 -1.149) 9.894 2.835 ( -0.081 3.748 2.183) 4.338 3.066 ( 4.664 3.662 -5.295) 7.950 3.231 ( 2.329 -3.734 -4.669) 6.416 3.581 ( -0.866 2.122 -6.104) 6.520 3.920 ( 2.683 7.284 -12.864) 15.025 4.473 ( -11.341 3.497 17.181) 20.881 4.974 ( -0.003 -9.788 -2.621) 10.133 5.227 ( 1.174 -10.132 3.177) 10.683 5.581 ( -4.424 -4.752 17.007) 18.204 5.799 ( -6.587 -0.696 17.554) 18.762 6.120 ( -0.982 -9.997 16.034) 18.921 6.567 ( -10.084 3.133 13.226) 16.924 6.888 ( -1.912 -6.187 5.298) 8.367 7.108 ( 0.275 13.192 3.716) 13.708 7.400 ( -4.077 12.769 6.148) 14.747 7.485 ( 4.187 8.330 -4.846) 10.507 8.018 ( -2.437 1.890 -5.234) 6.075 8.122 ( 9.150 -4.427 -14.297) 17.542 8.396 ( 2.534 3.129 -1.040) 4.158 8.795 ( -6.387 7.564 -2.720) 10.267 9.347 ( -0.572 -9.424 -0.652) 9.464 9.668 ( -4.310 12.225 0.077) 12.963 10.227 ( -1.050 -5.345 -1.360) 5.614 10.285 ( 5.179 2.235 -23.091) 23.770 10.862 ( -2.942 -15.177 2.872) 15.724 11.145 ( -0.003 -0.161 11.751) 11.752 11.618 ( 7.587 6.682 -9.119) 13.615 11.718 ( -2.508 -9.805 -11.138) 15.050 11.925 ( 4.920 -6.195 -1.041) 7.979 12.630 ( -3.148 0.585 5.051) 5.980 12.891 ( 0.844 7.339 2.578) 7.824 13.098 ( 0.406 2.365 9.016) 9.330 13.285 ( -2.367 -0.083 -5.786) 6.252 13.659 ( 0.185 4.400 -0.011) 4.404 13.794 ( -0.071 -5.431 4.078) 6.792 14.078 ( -2.982 -11.355 -5.231) 12.852 14.403 ( -7.608 2.622 13.040) 15.324 14.531 ( -3.087 -1.122 11.504) 11.964 14.860 ( -18.801 0.642 25.439) 31.639 15.472 ( 1.329 0.754 -16.819) 16.888 15.882 ( 0.276 0.590 -10.988) 11.008 16.471 ( -3.136 2.765 -5.866) 7.203 16.774 ( -2.883 -2.478 -2.956) 4.816 17.197 ( 10.224 4.204 -1.330) 11.134 17.851 ( -11.397 -3.727 1.954) 12.149 19.084 ( 19.506 1.596 0.472) 19.577 20.213 ( 3.114 8.504 -6.132) 10.937 20.514 ( -1.911 -2.068 4.536) 5.339 21.126 ( -12.535 0.224 3.621) 13.049 21.907 ( 16.932 3.160 -4.750) 17.867 22.362 ( 11.811 -17.199 -1.825) 20.943 ======================= Grid point 207 (105/201) ======================= q-point: (-0.50 0.12 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 5.037 7.397 11.221) 14.353 2.447 ( -3.989 7.389 1.369) 8.508 2.605 ( 8.577 1.848 0.747) 8.806 2.768 ( -4.506 3.882 5.081) 7.823 2.973 ( -1.515 6.992 -2.221) 7.491 3.245 ( -3.913 -1.901 -5.254) 6.821 3.554 ( 5.167 -1.575 -9.442) 10.878 3.802 ( 3.595 4.099 -11.218) 12.473 4.426 ( -5.707 1.450 14.451) 15.605 5.061 ( -2.226 -3.627 1.945) 4.679 5.361 ( -1.778 -6.863 1.214) 7.192 5.641 ( 0.033 0.778 7.468) 7.508 5.921 ( -9.967 -11.605 23.949) 28.418 6.344 ( -1.554 -5.015 15.419) 16.288 6.387 ( -8.790 9.544 13.293) 18.575 6.840 ( -10.874 16.843 20.632) 28.768 7.094 ( -0.192 -6.454 2.218) 6.827 7.213 ( 6.585 9.211 0.112) 11.323 7.374 ( 2.308 4.269 -10.925) 11.954 7.898 ( -2.176 2.850 -9.974) 10.599 8.258 ( 11.233 -1.750 -17.053) 20.495 8.399 ( -1.077 -4.247 -1.984) 4.809 8.713 ( -2.436 -5.210 1.584) 5.965 9.300 ( -6.324 12.576 -0.655) 14.092 9.547 ( 3.643 -3.514 0.105) 5.062 10.123 ( 0.566 4.738 -11.832) 12.757 10.393 ( 9.641 -8.065 -14.323) 19.057 11.057 ( -5.365 -5.392 4.792) 8.990 11.127 ( -1.460 0.281 10.362) 10.468 11.592 ( 8.942 2.136 -7.275) 11.724 11.780 ( -1.712 -7.104 -8.690) 11.354 11.985 ( -0.804 0.299 -4.483) 4.565 12.656 ( 1.294 -1.247 4.289) 4.651 12.828 ( -3.830 1.605 2.639) 4.920 13.135 ( 3.611 0.914 2.218) 4.335 13.232 ( 1.109 -1.080 -5.084) 5.314 13.608 ( 1.954 5.035 3.632) 6.508 13.880 ( 0.395 -3.310 2.786) 4.345 14.107 ( -9.818 -3.814 -3.551) 11.115 14.391 ( 0.044 -2.336 6.625) 7.025 14.546 ( -10.392 2.742 22.251) 24.711 14.850 ( -7.758 -7.153 15.019) 18.356 15.413 ( 1.494 -2.204 -12.145) 12.434 15.831 ( 3.873 4.559 -6.985) 9.197 16.378 ( -3.305 -1.206 -9.236) 9.884 16.733 ( -2.805 0.242 -5.465) 6.148 17.243 ( 6.661 1.926 -1.718) 7.143 17.788 ( -9.627 -2.784 1.552) 10.142 19.276 ( 17.507 2.445 1.880) 17.777 20.104 ( -0.555 6.812 -0.538) 6.856 20.543 ( -4.691 -2.857 4.930) 7.380 21.026 ( -6.459 -0.218 2.543) 6.945 21.990 ( 11.343 5.490 -2.544) 12.856 22.693 ( 8.758 -14.065 -7.031) 17.998 ======================= Grid point 208 (106/201) ======================= q-point: (-0.38 0.12 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 0.373 15.558 10.581) 18.819 2.239 ( -6.819 8.728 5.708) 12.461 2.640 ( -5.621 3.097 2.120) 6.759 2.782 ( 9.519 -2.269 0.590) 9.803 2.844 ( -5.543 3.340 1.742) 6.702 3.187 ( -2.677 0.075 -3.171) 4.151 3.588 ( 5.245 0.225 -9.813) 11.128 3.791 ( 5.933 -4.402 -10.739) 13.034 4.437 ( -0.577 2.195 10.583) 10.824 5.057 ( -5.067 0.935 6.830) 8.556 5.384 ( -1.147 4.119 6.799) 8.032 5.691 ( -2.389 -6.008 0.616) 6.495 6.051 ( -8.065 7.719 20.055) 22.953 6.198 ( -9.612 -7.324 15.751) 19.853 6.427 ( -7.199 21.072 20.531) 30.288 6.593 ( -6.315 -2.858 13.192) 14.903 7.140 ( 5.350 4.591 -0.256) 7.054 7.289 ( -2.914 -12.910 -0.504) 13.244 7.408 ( 7.604 -6.390 -3.773) 10.626 7.762 ( -4.016 2.899 -10.860) 11.936 8.175 ( 7.613 11.513 -15.209) 20.538 8.506 ( 2.645 -11.398 -13.045) 17.524 8.883 ( -2.018 -13.534 8.491) 16.104 9.058 ( -0.525 10.158 -1.052) 10.226 9.689 ( 4.528 -7.768 -2.905) 9.449 10.015 ( 3.488 4.082 -10.623) 11.903 10.523 ( 11.284 0.681 -5.732) 12.675 10.933 ( -8.233 6.867 8.230) 13.516 11.251 ( 4.938 -5.352 -5.559) 9.161 11.698 ( 6.013 -5.801 0.419) 8.365 11.726 ( -1.114 11.274 0.113) 11.330 11.891 ( -4.707 -1.883 -13.464) 14.387 12.709 ( -1.054 -2.995 -1.668) 3.586 12.793 ( -3.051 -1.658 4.971) 6.064 13.150 ( 1.327 -0.696 -3.472) 3.781 13.312 ( 4.425 -4.637 -1.919) 6.691 13.620 ( 6.030 3.909 9.088) 11.586 13.930 ( -1.019 -2.323 0.407) 2.569 13.983 ( -9.183 2.108 1.837) 9.599 14.410 ( -11.063 -1.342 7.273) 13.308 14.593 ( 5.882 -2.494 11.920) 13.524 15.011 ( -1.998 -9.826 14.855) 17.923 15.424 ( 1.989 -1.579 -7.559) 7.974 15.751 ( 5.361 8.399 -2.776) 10.343 16.336 ( -1.987 -4.674 -10.924) 12.047 16.650 ( -3.828 1.099 -6.713) 7.806 17.278 ( 3.588 -0.722 -3.515) 5.075 17.719 ( -7.967 -0.904 0.649) 8.044 19.444 ( 15.341 2.011 2.385) 15.655 19.960 ( -7.702 8.076 2.035) 11.344 20.530 ( -8.020 -2.218 5.204) 9.814 21.031 ( 2.388 -2.310 0.526) 3.364 21.980 ( 5.771 8.056 -0.960) 9.956 22.876 ( 1.161 -9.187 -12.096) 15.234 ======================= Grid point 209 (107/201) ======================= q-point: (-0.25 0.12 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -8.265 13.967 13.648) 21.205 2.104 ( -6.064 9.373 14.685) 18.446 2.548 ( -3.148 2.737 4.115) 5.860 2.772 ( -3.939 1.144 3.864) 5.635 2.915 ( 8.006 -2.742 -6.683) 10.783 3.155 ( -0.461 1.775 2.030) 2.736 3.584 ( 4.739 -0.385 -8.954) 10.138 3.914 ( 7.037 -7.109 -9.023) 13.471 4.447 ( 1.476 4.537 9.654) 10.769 5.009 ( -7.023 1.880 10.503) 12.774 5.319 ( -1.231 7.690 8.193) 11.304 5.690 ( -1.186 7.889 2.420) 8.337 5.888 ( -13.413 5.184 22.505) 26.707 6.124 ( -5.935 11.359 8.194) 15.211 6.463 ( -6.691 -18.457 16.324) 25.532 6.615 ( -2.142 1.334 7.128) 7.562 7.200 ( 4.033 -3.036 3.632) 6.219 7.432 ( -3.883 -0.532 0.857) 4.012 7.497 ( -5.183 -11.318 -3.344) 12.890 7.742 ( 4.360 -10.287 -2.424) 11.432 8.010 ( 8.131 11.547 -13.660) 19.648 8.596 ( 0.338 -6.508 -13.026) 14.565 8.896 ( 3.538 2.088 -6.800) 7.945 9.189 ( 3.110 -11.155 4.213) 12.323 9.763 ( 1.345 -2.252 -8.109) 8.523 10.050 ( 8.934 -5.034 -3.584) 10.863 10.524 ( 5.835 16.004 12.483) 21.119 10.818 ( -4.005 -0.422 -5.654) 6.941 11.341 ( 5.216 -2.067 -10.365) 11.786 11.459 ( -2.837 16.290 1.311) 16.587 11.802 ( 0.745 1.324 -8.413) 8.549 11.855 ( 1.514 -5.664 -0.601) 5.894 12.719 ( -5.859 -7.085 -1.284) 9.283 12.858 ( 1.365 -3.815 2.905) 4.986 13.162 ( -0.284 -2.606 -3.136) 4.087 13.383 ( 1.036 -1.952 -3.804) 4.399 13.703 ( 6.776 5.898 12.141) 15.103 13.879 ( -8.169 -3.862 0.583) 9.054 13.958 ( 1.038 1.710 6.468) 6.771 14.347 ( -6.358 -2.114 0.522) 6.720 14.766 ( 3.082 -3.398 9.624) 10.661 15.185 ( -6.926 -3.787 7.512) 10.897 15.377 ( 7.974 4.863 -1.392) 9.443 15.793 ( 13.302 -1.382 3.091) 13.726 16.342 ( 0.159 -4.938 -9.765) 10.943 16.544 ( -4.308 1.430 -7.118) 8.442 17.322 ( 0.806 -5.027 -4.791) 6.991 17.645 ( -4.456 0.313 -0.881) 4.553 19.613 ( 13.873 -0.497 1.894) 14.010 19.694 ( -15.784 10.135 1.383) 18.809 20.500 ( -6.074 -1.243 5.465) 8.265 21.130 ( 7.438 -3.129 -2.054) 8.326 21.886 ( 1.021 9.442 0.461) 9.508 22.831 ( -10.148 -1.444 -16.061) 19.054 ======================= Grid point 210 (108/201) ======================= q-point: (-0.12 0.12 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( -6.556 1.828 20.579) 21.675 2.003 ( -6.153 6.730 21.000) 22.894 2.552 ( 3.313 0.252 4.592) 5.668 2.760 ( -0.407 -0.288 3.202) 3.240 2.964 ( 4.194 -0.197 -8.981) 9.914 3.129 ( -0.031 4.956 7.082) 8.644 3.626 ( 4.982 -3.166 -7.432) 9.491 4.021 ( 5.600 -2.709 -7.139) 9.469 4.467 ( 2.823 2.552 10.479) 11.148 4.958 ( -8.406 1.440 12.268) 14.941 5.223 ( -2.599 7.775 5.520) 9.883 5.517 ( -4.594 12.204 11.473) 17.369 5.813 ( -5.138 6.739 16.531) 18.576 6.011 ( -11.489 -3.232 4.702) 12.828 6.551 ( -0.301 1.937 7.265) 7.525 6.827 ( -3.777 -18.691 10.421) 21.730 7.195 ( -1.671 7.658 -2.931) 8.368 7.359 ( -0.700 -3.279 1.960) 3.883 7.675 ( -8.068 -15.618 3.140) 17.857 7.892 ( 9.063 8.232 -11.263) 16.636 7.991 ( 3.180 -13.280 6.546) 15.143 8.566 ( 0.158 -2.278 -16.374) 16.532 8.963 ( 6.487 -7.275 -7.498) 12.298 9.271 ( 4.691 5.983 -5.997) 9.684 9.839 ( -2.071 -10.169 3.417) 10.926 10.201 ( 8.934 0.824 -7.957) 11.992 10.395 ( 0.856 12.202 17.899) 21.680 10.766 ( 1.914 1.561 -7.098) 7.515 11.083 ( -6.606 15.915 -1.729) 17.318 11.484 ( 8.695 -3.226 -9.062) 12.966 11.741 ( 2.437 2.485 -8.188) 8.897 11.904 ( 0.273 0.745 -0.159) 0.809 12.776 ( -5.457 -9.360 0.493) 10.846 12.952 ( -0.105 -6.232 1.835) 6.497 13.179 ( -5.768 -5.532 -1.445) 8.121 13.354 ( 0.264 3.602 -2.694) 4.505 13.706 ( 2.319 5.521 5.819) 8.349 13.812 ( -4.907 4.512 -0.282) 6.672 14.062 ( 1.020 -4.476 15.591) 16.253 14.338 ( -2.094 -3.868 -2.830) 5.230 14.792 ( -9.887 5.178 10.665) 15.438 15.036 ( -3.099 4.173 -4.092) 6.615 15.505 ( 3.794 -1.569 7.845) 8.854 16.111 ( 22.283 -7.772 2.810) 23.767 16.371 ( 2.132 -3.217 -7.169) 8.141 16.457 ( 0.078 0.475 -4.913) 4.936 17.345 ( -10.024 -5.949 -4.068) 12.346 17.660 ( 10.083 -2.617 -4.855) 11.493 19.314 ( -22.724 10.010 1.350) 24.868 19.844 ( 18.243 -5.845 -3.472) 19.469 20.483 ( -3.382 0.128 5.138) 6.153 21.260 ( 10.073 -3.111 -4.483) 11.456 21.749 ( -2.339 8.683 2.400) 9.307 22.503 ( -21.535 9.035 -14.066) 27.263 ======================= Grid point 213 (109/201) ======================= q-point: ( 0.25 0.25 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 3.654 0.000 6.504) 7.460 2.378 ( 4.823 0.000 12.988) 13.855 2.781 ( -5.420 -0.000 -2.429) 5.939 2.917 ( 6.797 0.000 -0.506) 6.816 3.111 ( 7.814 0.000 3.180) 8.437 3.227 ( 4.498 0.000 -11.039) 11.921 3.664 ( -3.012 -0.000 0.643) 3.080 4.061 ( 4.768 0.000 -11.468) 12.419 4.566 ( -12.803 -0.000 14.786) 19.559 4.731 ( -0.993 -0.000 -4.630) 4.735 5.041 ( 2.865 0.000 11.798) 12.141 5.472 ( -5.218 -0.000 17.126) 17.904 5.853 ( -3.885 -0.000 11.196) 11.851 5.948 ( -1.233 -0.000 16.026) 16.074 6.578 ( -11.942 -0.000 15.081) 19.236 6.705 ( -3.155 -0.000 5.133) 6.025 7.452 ( -2.116 -0.000 8.134) 8.404 7.506 ( 1.254 0.000 -9.244) 9.329 7.584 ( 5.119 0.000 2.040) 5.510 7.905 ( 7.696 0.000 -9.625) 12.324 8.341 ( 2.930 0.000 -14.263) 14.561 8.559 ( -5.607 -0.000 -3.136) 6.424 8.946 ( -0.916 -0.000 17.417) 17.441 9.251 ( -14.966 -0.000 4.268) 15.563 9.439 ( 3.329 0.000 -9.055) 9.648 10.322 ( -5.693 -0.000 -4.980) 7.564 10.397 ( 1.370 0.000 -1.733) 2.209 10.678 ( -2.972 -0.000 -3.138) 4.322 10.870 ( 2.224 0.000 -7.041) 7.384 11.696 ( -0.098 -0.000 -2.662) 2.664 11.713 ( 7.649 0.000 -12.476) 14.634 11.764 ( 7.415 0.000 -0.964) 7.478 12.643 ( -6.082 -0.000 2.939) 6.755 13.094 ( -7.429 -0.000 10.189) 12.610 13.177 ( 1.309 0.000 11.781) 11.854 13.223 ( 4.911 0.000 -3.502) 6.032 13.667 ( -0.554 -0.000 4.351) 4.386 13.761 ( -9.030 -0.000 -6.537) 11.148 13.835 ( 7.617 0.000 -2.164) 7.918 14.449 ( -5.834 -0.000 18.279) 19.187 14.499 ( -5.740 -0.000 2.691) 6.340 14.899 ( -23.019 -0.000 33.519) 40.662 15.488 ( 1.761 0.000 -20.400) 20.475 15.874 ( -0.847 -0.000 -14.600) 14.625 16.565 ( -7.898 -0.000 -4.487) 9.084 16.688 ( 1.868 0.000 -1.748) 2.558 17.276 ( 7.038 0.000 -0.948) 7.102 17.759 ( -15.339 -0.000 5.015) 16.138 19.135 ( 24.584 0.000 -1.487) 24.629 20.404 ( 3.561 0.000 -18.256) 18.600 20.471 ( -1.961 -0.000 4.594) 4.995 21.133 ( -10.942 -0.000 2.792) 11.293 21.945 ( 1.640 0.000 15.891) 15.975 22.066 ( 32.537 0.000 -12.898) 35.000 ======================= Grid point 214 (110/201) ======================= q-point: ( 0.38 0.25 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 4.276 4.192 4.591) 7.545 2.481 ( 3.663 0.546 6.117) 7.150 2.698 ( -6.919 -0.261 -1.272) 7.040 2.951 ( 2.001 3.758 0.002) 4.257 3.166 ( 8.361 3.842 -9.785) 13.431 3.208 ( 1.289 1.381 -1.913) 2.688 3.601 ( -1.065 4.023 -0.172) 4.165 3.999 ( 3.738 6.438 -10.578) 12.935 4.481 ( -11.268 2.645 18.363) 21.706 4.796 ( 1.082 -10.271 -4.983) 11.467 5.175 ( 3.081 -4.064 5.704) 7.651 5.537 ( -6.396 -4.952 19.269) 20.898 5.861 ( -1.741 3.019 13.220) 13.672 6.071 ( -2.335 -6.453 17.419) 18.722 6.525 ( -12.264 -0.787 15.952) 20.137 6.739 ( -5.183 -7.622 3.473) 9.850 7.361 ( 3.229 12.266 0.380) 12.690 7.491 ( 0.948 3.440 -1.413) 3.838 7.637 ( 3.445 2.881 2.717) 5.249 7.955 ( 1.875 -2.678 -6.182) 6.994 8.182 ( 1.620 11.083 -10.213) 15.158 8.479 ( 3.783 2.376 -6.588) 7.959 8.855 ( -11.835 14.819 7.805) 20.509 9.190 ( 0.586 -10.156 -0.005) 10.173 9.600 ( -2.133 -13.364 -6.771) 15.133 10.184 ( -5.565 3.472 1.189) 6.666 10.275 ( -2.271 7.631 -10.915) 13.510 10.681 ( 1.400 -7.211 -3.866) 8.301 11.010 ( -4.321 -17.406 -1.311) 17.982 11.625 ( 2.976 5.080 -6.582) 8.830 11.736 ( 6.946 3.301 -8.305) 11.319 11.882 ( 4.307 -5.818 -1.365) 7.366 12.624 ( -0.163 -0.945 2.060) 2.272 13.002 ( -7.145 6.003 6.779) 11.534 13.217 ( 2.697 4.249 11.109) 12.196 13.258 ( 2.061 1.221 -5.063) 5.601 13.649 ( -4.529 -1.607 -5.185) 7.070 13.749 ( 0.716 -5.741 7.441) 9.425 13.938 ( 4.530 -3.627 -1.578) 6.014 14.406 ( -7.705 2.217 5.592) 9.776 14.523 ( -3.994 -3.606 15.108) 16.037 14.787 ( -23.600 1.720 31.880) 39.702 15.366 ( -0.522 -0.895 -23.773) 23.796 15.852 ( 6.183 -0.952 -10.068) 11.853 16.446 ( -3.960 3.106 -4.525) 6.768 16.681 ( -3.021 -2.069 -5.953) 6.989 17.314 ( 3.221 2.099 0.587) 3.889 17.663 ( -11.608 -3.881 5.590) 13.456 19.385 ( 22.415 2.985 -0.174) 22.614 20.301 ( 2.075 5.268 -11.720) 13.016 20.485 ( -2.390 -1.364 4.151) 4.980 21.036 ( -7.042 0.502 1.344) 7.187 22.050 ( 1.045 -0.933 12.547) 12.625 22.407 ( 28.985 -4.366 -11.441) 31.466 ======================= Grid point 215 (111/201) ======================= q-point: (-0.50 0.25 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 3.736 4.665 3.873) 7.121 2.489 ( -1.887 2.706 -1.140) 3.490 2.624 ( -6.051 -0.845 0.185) 6.112 2.894 ( 3.179 5.950 2.316) 7.132 3.074 ( -3.322 10.025 -0.852) 10.596 3.182 ( 3.039 1.018 -6.325) 7.091 3.570 ( 4.898 1.219 -4.132) 6.523 3.874 ( 3.488 7.952 -9.973) 13.223 4.459 ( -6.072 0.274 18.338) 19.319 4.948 ( 1.653 -10.054 -3.702) 10.840 5.252 ( -1.280 -3.805 0.360) 4.030 5.654 ( -6.724 -5.791 16.381) 18.630 5.874 ( -3.632 2.087 18.521) 18.989 6.252 ( -5.658 -10.215 19.876) 23.052 6.472 ( -8.614 2.825 11.636) 14.750 6.837 ( -5.047 -9.924 3.716) 11.737 7.196 ( 0.226 15.927 7.962) 17.808 7.421 ( 3.757 6.331 -2.359) 7.730 7.556 ( 5.009 16.359 0.492) 17.115 7.857 ( -5.436 5.194 -7.030) 10.293 8.153 ( 4.314 -7.946 -9.960) 13.452 8.448 ( 6.476 5.167 -12.267) 14.803 8.647 ( -5.163 1.479 5.134) 7.429 9.304 ( -1.895 -3.036 -1.252) 3.791 9.571 ( -3.221 3.080 -2.326) 5.027 10.106 ( -1.452 2.965 -12.172) 12.612 10.242 ( 4.697 -12.446 -9.472) 16.331 10.843 ( -0.105 -13.813 -0.965) 13.847 11.157 ( -9.388 -9.426 8.944) 16.031 11.559 ( 2.589 1.275 -11.607) 11.960 11.731 ( 8.954 2.919 -6.668) 11.539 11.967 ( -0.342 -2.334 -1.497) 2.794 12.680 ( 3.262 -1.714 1.927) 4.159 12.840 ( -8.380 6.019 2.341) 10.580 13.187 ( 0.094 3.513 -1.784) 3.941 13.277 ( 6.108 2.083 3.223) 7.213 13.627 ( -2.716 -3.395 -2.742) 5.141 13.879 ( 0.995 -3.322 8.783) 9.443 14.003 ( 0.424 -0.318 1.905) 1.977 14.333 ( -7.774 -1.551 3.719) 8.756 14.602 ( -7.155 1.375 21.099) 22.322 14.726 ( -10.597 -7.510 18.429) 22.546 15.304 ( 3.099 -4.931 -17.634) 18.571 15.899 ( 8.177 0.616 -7.295) 10.975 16.328 ( -3.034 3.764 -4.980) 6.941 16.613 ( -6.513 -1.734 -8.353) 10.733 17.312 ( 1.095 2.018 1.191) 2.587 17.634 ( -8.799 -4.184 3.217) 10.260 19.566 ( 18.371 4.835 1.218) 19.036 20.184 ( -0.544 6.297 -5.225) 8.200 20.488 ( -4.033 -0.695 4.371) 5.988 20.986 ( -1.389 -0.746 -0.009) 1.576 22.108 ( -2.778 0.784 10.236) 10.636 22.700 ( 22.677 -2.523 -12.378) 25.958 ======================= Grid point 216 (112/201) ======================= q-point: (-0.38 0.25 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -6.367 9.809 0.477) 11.704 2.364 ( -0.907 6.551 3.384) 7.429 2.590 ( -5.402 -1.452 3.056) 6.374 2.859 ( -8.306 6.230 2.563) 10.694 2.918 ( 7.799 3.803 3.674) 9.423 3.178 ( 5.426 1.423 -6.802) 8.817 3.613 ( 6.764 -0.604 -7.156) 9.865 3.763 ( 3.380 3.132 -10.930) 11.862 4.510 ( -1.935 -0.150 15.317) 15.440 5.039 ( -0.868 -1.608 1.086) 2.126 5.320 ( -2.805 -10.074 -0.664) 10.479 5.670 ( -5.068 3.245 8.984) 10.813 5.949 ( -9.370 -7.443 23.270) 26.167 6.332 ( -6.737 10.660 12.823) 17.985 6.464 ( -5.727 -11.253 17.666) 21.714 6.788 ( -10.868 17.484 18.028) 27.365 7.077 ( -2.441 -2.933 -1.405) 4.066 7.364 ( 8.164 15.999 -2.030) 18.075 7.449 ( 9.397 -2.528 -1.491) 9.844 7.685 ( -5.282 3.437 -11.418) 13.042 8.273 ( -3.188 -7.775 -8.842) 12.198 8.362 ( 13.286 4.903 -17.470) 22.489 8.727 ( -1.966 -10.029 9.324) 13.834 9.175 ( -3.887 9.742 -0.583) 10.505 9.609 ( 3.133 -7.219 -2.987) 8.418 10.010 ( 1.893 0.646 -14.185) 14.325 10.455 ( 7.293 -13.793 -12.964) 20.285 10.966 ( -6.495 -3.594 2.835) 7.947 11.220 ( 0.747 -2.910 7.234) 7.833 11.540 ( -1.813 -8.238 -13.568) 15.976 11.794 ( 8.230 -0.345 -2.136) 8.510 11.898 ( -5.012 7.567 1.176) 9.152 12.660 ( -6.415 2.419 0.868) 6.911 12.787 ( 3.106 -1.935 0.808) 3.747 13.136 ( -0.033 1.659 -3.696) 4.051 13.345 ( 6.340 0.268 0.331) 6.354 13.653 ( -4.085 -6.341 0.285) 7.548 13.945 ( 1.339 4.391 10.734) 11.674 13.996 ( 0.118 1.351 4.448) 4.650 14.283 ( -9.464 -2.309 3.104) 10.225 14.641 ( -1.932 -3.248 14.217) 14.711 14.902 ( -3.364 -12.153 12.362) 17.659 15.387 ( 8.953 -5.992 -9.004) 14.041 15.915 ( 7.300 5.638 -4.217) 10.142 16.238 ( -0.888 -0.289 -6.240) 6.310 16.500 ( -8.855 -1.752 -8.999) 12.746 17.295 ( -0.256 1.753 0.614) 1.875 17.605 ( -6.647 -3.030 0.019) 7.305 19.692 ( 14.062 4.690 2.515) 15.035 20.008 ( -8.185 9.841 -0.648) 12.816 20.470 ( -3.367 -0.303 4.265) 5.442 21.038 ( 5.883 -3.215 -2.079) 7.019 22.066 ( -8.676 2.975 9.075) 12.902 22.848 ( 14.911 2.768 -14.625) 21.068 ======================= Grid point 217 (113/201) ======================= q-point: (-0.25 0.25 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -9.996 12.724 6.223) 17.337 2.262 ( -3.759 8.620 9.662) 13.482 2.558 ( -3.270 0.269 3.637) 4.898 2.748 ( -5.736 0.800 5.670) 8.105 2.990 ( 7.503 1.057 -1.214) 7.674 3.191 ( 6.294 1.797 -5.501) 8.550 3.615 ( 5.901 2.856 -8.885) 11.041 3.808 ( 5.564 -8.690 -11.833) 15.700 4.558 ( -2.045 1.702 12.777) 13.051 5.016 ( -3.812 1.942 5.865) 7.259 5.435 ( -1.007 -4.142 4.350) 6.091 5.592 ( -5.893 0.839 3.800) 7.062 6.102 ( -6.555 5.739 19.497) 21.355 6.139 ( -9.623 -2.208 16.046) 18.840 6.450 ( -9.186 19.467 18.738) 28.538 6.648 ( -4.003 -4.944 17.023) 18.172 7.102 ( -6.108 -11.054 -4.239) 13.322 7.302 ( 5.474 3.925 -0.228) 6.740 7.495 ( -3.640 6.403 -10.122) 12.519 7.664 ( 9.800 -9.328 -0.803) 13.554 8.177 ( 4.961 6.778 -13.468) 15.873 8.449 ( 5.804 -5.283 -11.783) 14.157 8.888 ( -3.293 -3.198 4.184) 6.211 9.084 ( 1.803 -6.357 1.897) 6.875 9.695 ( 1.068 -1.891 -8.520) 8.793 10.023 ( 7.386 -6.644 -10.225) 14.257 10.638 ( 3.124 -10.995 -14.122) 18.169 10.866 ( -3.539 10.726 10.552) 15.457 11.303 ( 6.834 -2.573 -10.763) 13.007 11.614 ( -4.925 -12.506 -4.309) 14.115 11.654 ( -7.015 15.427 3.425) 17.290 11.903 ( 6.894 -0.557 3.566) 7.781 12.598 ( -4.611 -1.901 1.720) 5.276 12.851 ( 2.656 -1.378 0.344) 3.012 13.088 ( -2.407 0.019 -4.731) 5.308 13.406 ( 5.428 0.346 -2.879) 6.154 13.696 ( -8.807 -7.630 2.104) 11.841 13.933 ( 2.905 7.085 10.365) 12.886 14.028 ( 1.338 0.733 8.298) 8.437 14.246 ( -2.442 -2.587 -1.006) 3.697 14.756 ( -3.773 -4.525 13.403) 14.640 15.055 ( -6.256 -7.885 2.234) 10.311 15.528 ( 9.324 1.001 -1.646) 9.520 15.950 ( 15.964 -0.997 -2.279) 16.157 16.258 ( 1.749 -4.888 -5.108) 7.283 16.375 ( -8.605 -2.367 -8.217) 12.131 17.256 ( -3.990 0.758 -0.255) 4.070 17.591 ( -0.188 -2.855 -2.756) 3.973 19.684 ( -15.421 13.671 2.078) 20.713 19.804 ( 10.406 2.412 1.982) 10.864 20.474 ( -1.306 -0.253 4.816) 4.997 21.172 ( 11.067 -3.659 -4.952) 12.665 21.924 ( -14.636 3.855 8.081) 17.158 22.796 ( 6.981 10.445 -15.811) 20.194 ======================= Grid point 218 (114/201) ======================= q-point: (-0.12 0.25 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -7.076 5.753 14.719) 17.315 2.158 ( -3.382 7.829 15.689) 17.857 2.586 ( 1.159 -3.829 2.717) 4.836 2.739 ( -2.543 -1.789 4.626) 5.574 3.022 ( 6.025 3.398 -4.732) 8.381 3.204 ( 4.363 1.888 -3.211) 5.736 3.616 ( 5.587 -0.286 -8.476) 10.156 3.937 ( 4.447 -8.544 -12.505) 15.785 4.553 ( -5.627 1.199 12.484) 13.746 4.984 ( -2.591 3.271 9.560) 10.431 5.382 ( -0.984 11.578 7.068) 13.600 5.606 ( -5.259 -5.905 -0.901) 7.958 5.867 ( -10.414 14.191 24.372) 30.064 6.122 ( -3.377 14.332 11.880) 18.919 6.475 ( -7.985 -19.410 16.773) 26.867 6.696 ( 0.473 2.125 10.004) 10.238 7.238 ( -5.541 3.910 -6.019) 9.068 7.273 ( -7.153 -18.144 5.733) 20.329 7.388 ( 1.583 -0.755 -1.237) 2.146 7.891 ( 8.210 -7.826 -2.659) 11.650 8.093 ( 8.813 6.915 -10.576) 15.406 8.465 ( -0.546 -0.334 -8.227) 8.252 8.874 ( 0.727 -3.491 -6.875) 7.745 9.304 ( 4.672 -7.991 1.166) 9.329 9.656 ( -3.379 -5.847 -6.352) 9.271 10.208 ( 11.471 -7.801 -12.488) 18.665 10.574 ( -11.269 5.866 0.371) 12.710 10.835 ( 10.271 3.592 0.426) 10.890 11.244 ( -6.196 13.766 1.311) 15.153 11.467 ( 5.666 -0.986 -9.344) 10.972 11.710 ( -0.061 -5.598 -0.773) 5.651 11.970 ( 3.065 3.703 4.209) 6.389 12.622 ( -2.922 -5.413 2.506) 6.642 12.891 ( 0.209 -2.041 -1.490) 2.536 13.034 ( -5.774 -1.996 -0.425) 6.124 13.422 ( 3.787 2.262 -4.223) 6.106 13.688 ( -7.445 -3.701 1.352) 8.423 13.881 ( -1.649 6.051 2.954) 6.932 14.115 ( 0.401 -1.586 14.762) 14.852 14.293 ( 4.785 -1.345 -0.381) 4.985 14.767 ( -13.178 1.811 12.938) 18.556 15.009 ( -5.844 0.379 -0.799) 5.910 15.565 ( 2.839 0.700 -1.277) 3.191 16.169 ( 0.368 -3.853 -7.584) 8.515 16.353 ( 5.202 -1.896 -0.660) 5.576 16.412 ( 18.056 -12.500 -3.587) 22.251 17.159 ( -10.650 0.113 -2.025) 10.842 17.695 ( 10.736 -5.772 -3.783) 12.763 19.270 ( -18.692 15.142 2.125) 24.149 19.935 ( 9.932 -3.138 0.643) 10.435 20.488 ( -0.820 0.444 4.958) 5.045 21.338 ( 14.943 -2.808 -7.489) 16.949 21.716 ( -18.884 2.938 6.676) 20.243 22.547 ( 2.020 18.985 -12.593) 22.871 ======================= Grid point 222 (115/201) ======================= q-point: ( 0.38 0.38 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 3.295 0.000 -0.993) 3.441 2.534 ( 0.151 0.000 0.087) 0.174 2.593 ( -8.809 -0.000 -0.075) 8.810 2.952 ( -2.248 -0.000 -3.615) 4.257 3.227 ( 9.217 0.000 -13.316) 16.195 3.263 ( 0.626 0.000 3.298) 3.357 3.636 ( 0.225 0.000 2.308) 2.318 4.037 ( 1.510 0.000 -6.321) 6.499 4.505 ( -5.786 -0.000 17.304) 18.246 4.697 ( 1.640 0.000 -4.101) 4.416 5.216 ( 2.832 0.000 2.764) 3.958 5.515 ( -7.290 -0.000 16.977) 18.476 5.964 ( 0.693 0.000 15.269) 15.285 6.075 ( -5.452 -0.000 19.570) 20.316 6.458 ( -13.213 -0.000 19.173) 23.285 6.632 ( -4.739 -0.000 1.339) 4.925 7.506 ( 0.940 0.000 3.851) 3.964 7.530 ( 7.679 0.000 -6.604) 10.128 7.686 ( 1.054 0.000 3.219) 3.387 7.923 ( -0.156 -0.000 -5.736) 5.738 8.271 ( 2.100 0.000 -11.846) 12.031 8.462 ( 3.031 0.000 -5.470) 6.253 8.972 ( -12.545 -0.000 16.579) 20.790 9.122 ( 4.368 0.000 -4.035) 5.947 9.338 ( -1.580 -0.000 -14.875) 14.959 10.120 ( -8.561 -0.000 1.288) 8.657 10.288 ( -8.907 -0.000 1.259) 8.996 10.640 ( 2.599 0.000 -3.267) 4.175 10.747 ( -1.190 -0.000 -15.386) 15.432 11.740 ( 3.087 0.000 2.985) 4.294 11.749 ( 10.271 0.000 -18.694) 21.330 11.874 ( 0.755 0.000 1.385) 1.577 12.640 ( 4.178 0.000 -0.758) 4.246 12.953 ( -13.269 -0.000 5.597) 14.401 13.295 ( 4.127 0.000 -5.655) 7.000 13.337 ( -1.202 -0.000 13.328) 13.382 13.560 ( -1.028 -0.000 -2.615) 2.810 13.739 ( 0.759 0.000 5.785) 5.835 13.992 ( 6.422 0.000 0.681) 6.458 14.338 ( -9.188 -0.000 1.295) 9.279 14.536 ( -3.567 -0.000 16.642) 17.020 14.710 ( -22.059 -0.000 33.547) 40.149 15.210 ( 1.356 0.000 -27.296) 27.330 15.891 ( 9.441 0.000 -7.838) 12.270 16.407 ( -3.576 -0.000 -3.302) 4.867 16.589 ( -4.128 -0.000 -6.656) 7.833 17.351 ( -0.046 -0.000 1.348) 1.349 17.552 ( -8.384 -0.000 5.919) 10.263 19.648 ( 18.185 0.000 0.923) 18.209 20.288 ( 0.649 0.000 -11.532) 11.550 20.476 ( -1.405 -0.000 4.181) 4.410 20.978 ( -3.895 -0.000 -0.583) 3.938 22.100 ( -4.363 -0.000 16.447) 17.016 22.679 ( 31.016 0.000 -12.581) 33.470 ======================= Grid point 223 (116/201) ======================= q-point: (-0.50 -0.62 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -6.672 0.744 -2.937) 7.328 2.489 ( 0.956 1.074 -2.635) 3.002 2.525 ( -4.883 -0.776 -0.524) 4.972 2.901 ( -3.631 -0.441 -3.077) 4.780 3.196 ( -3.225 7.986 3.625) 9.345 3.249 ( 7.709 2.709 -9.337) 12.407 3.646 ( 3.820 2.299 0.013) 4.458 3.975 ( 1.295 5.967 -5.197) 8.019 4.518 ( -2.150 2.790 15.984) 16.367 4.799 ( 2.762 -10.543 -2.615) 11.209 5.220 ( -1.094 1.033 -3.116) 3.460 5.555 ( -9.759 -5.207 17.495) 20.698 6.023 ( 1.268 4.844 16.574) 17.314 6.137 ( -14.249 -6.094 25.421) 29.772 6.448 ( -6.075 -1.287 13.076) 14.476 6.665 ( -1.962 -8.804 2.232) 9.292 7.455 ( 1.729 11.020 3.604) 11.722 7.541 ( 5.315 5.624 -3.554) 8.515 7.725 ( 0.191 -0.263 2.509) 2.530 7.856 ( -4.286 3.317 -1.990) 5.773 8.131 ( 3.349 7.888 -11.786) 14.572 8.493 ( 6.100 2.271 -11.664) 13.358 8.752 ( -3.190 13.130 8.185) 15.797 9.207 ( 3.060 -7.278 -5.460) 9.599 9.411 ( -6.191 -13.759 -9.618) 17.893 10.073 ( -5.017 -1.123 1.840) 5.460 10.111 ( -3.054 2.949 -4.886) 6.473 10.682 ( 1.371 -6.846 -7.414) 10.184 10.826 ( -4.953 -17.023 -3.794) 18.130 11.666 ( 6.029 8.175 -9.526) 13.926 11.829 ( 7.235 1.064 -6.069) 9.503 11.900 ( -1.486 -4.194 0.172) 4.453 12.707 ( 4.407 -1.099 0.137) 4.544 12.795 ( -11.746 2.339 2.059) 12.152 13.243 ( -0.132 4.709 -1.354) 4.901 13.396 ( 0.528 -0.608 6.645) 6.694 13.542 ( 0.032 2.301 -0.067) 2.302 13.831 ( -1.500 -6.989 5.689) 9.136 14.079 ( 5.049 -0.666 3.858) 6.389 14.243 ( -6.707 -0.023 0.856) 6.761 14.586 ( -13.909 -5.695 20.055) 25.062 14.668 ( -4.193 3.139 19.798) 20.479 15.164 ( 5.819 -6.854 -19.576) 21.542 15.967 ( 9.526 -0.159 -6.676) 11.634 16.320 ( -4.639 2.900 -3.025) 6.252 16.507 ( -2.973 1.227 -5.952) 6.766 17.344 ( -1.120 0.925 2.320) 2.738 17.509 ( -7.333 -2.371 3.020) 8.277 19.814 ( 12.472 2.636 2.187) 12.934 20.206 ( -2.058 3.336 -7.245) 8.237 20.484 ( -0.536 0.726 4.071) 4.170 20.958 ( 0.717 -1.751 -2.136) 2.854 22.108 ( -9.040 0.549 14.537) 17.127 22.940 ( 26.809 2.280 -11.838) 29.395 ======================= Grid point 224 (117/201) ======================= q-point: (-0.38 -0.62 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -10.081 2.491 -3.574) 10.982 2.467 ( 2.157 5.840 -0.688) 6.263 2.494 ( -6.581 -4.947 2.229) 8.530 2.824 ( -7.333 1.571 0.017) 7.500 3.072 ( -0.182 6.376 4.361) 7.726 3.251 ( 7.565 1.760 -8.163) 11.267 3.660 ( 5.348 1.607 -3.438) 6.557 3.849 ( 2.460 8.983 -7.292) 11.829 4.560 ( -2.031 -0.020 14.130) 14.276 4.985 ( 3.543 -8.997 -0.343) 9.676 5.152 ( -5.990 -2.001 -3.867) 7.405 5.603 ( -11.210 -5.803 15.170) 19.735 6.027 ( -3.667 7.140 22.459) 23.850 6.224 ( -15.425 -12.174 23.095) 30.323 6.456 ( -2.398 1.598 6.516) 7.125 6.807 ( -0.880 -5.864 4.529) 7.462 7.249 ( -3.299 19.255 8.555) 21.327 7.503 ( 1.555 1.915 -0.306) 2.486 7.645 ( -1.699 5.320 -9.966) 11.425 7.724 ( 6.610 16.021 2.169) 17.466 8.079 ( -0.022 -5.438 -10.155) 11.519 8.445 ( 7.627 0.371 -13.976) 15.926 8.706 ( 3.455 1.823 4.164) 5.710 9.234 ( -4.020 3.610 0.581) 5.434 9.494 ( 2.545 -10.941 -6.753) 13.107 9.957 ( 0.911 1.666 -13.196) 13.332 10.229 ( -0.479 -13.842 -3.843) 14.374 10.768 ( -2.962 -11.234 -7.418) 13.785 11.034 ( -2.964 -17.600 3.160) 18.125 11.538 ( 3.998 8.917 -12.467) 15.841 11.857 ( 1.231 -0.287 0.145) 1.272 11.933 ( 2.643 0.306 -1.003) 2.843 12.628 ( -10.011 2.883 8.072) 13.179 12.805 ( 5.799 -1.893 -3.380) 6.974 13.171 ( 0.432 4.418 -1.857) 4.812 13.433 ( 1.218 -0.588 0.853) 1.599 13.503 ( -3.614 -0.350 0.622) 3.683 13.940 ( -4.123 -7.098 7.551) 11.154 14.109 ( 0.514 3.590 1.556) 3.946 14.237 ( 1.554 -0.044 6.966) 7.137 14.625 ( -9.481 -5.408 18.329) 21.333 14.734 ( -0.356 -6.444 2.615) 6.963 15.328 ( 9.282 -11.544 -6.195) 16.056 16.027 ( 7.915 1.622 -6.304) 10.248 16.195 ( -6.202 2.255 -3.545) 7.491 16.424 ( 1.245 4.108 -4.087) 5.927 17.319 ( -2.640 2.226 2.434) 4.225 17.483 ( -5.165 -3.934 -0.275) 6.498 19.896 ( 7.284 3.290 3.265) 8.634 20.035 ( -8.658 8.478 -3.070) 12.500 20.492 ( 1.489 1.604 4.244) 4.775 21.038 ( 7.136 -4.991 -3.958) 9.565 22.017 ( -14.971 2.778 12.037) 19.410 23.080 ( 20.452 7.977 -11.893) 24.967 ======================= Grid point 225 (118/201) ======================= q-point: (-0.25 -0.62 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -11.117 5.938 0.582) 12.617 2.385 ( 0.138 6.730 3.614) 7.640 2.505 ( -5.445 -2.793 3.317) 6.961 2.727 ( -6.968 1.144 6.557) 9.636 3.050 ( 1.595 0.732 0.013) 1.755 3.294 ( 9.403 1.037 -7.744) 12.226 3.694 ( 5.927 -0.187 -5.944) 8.397 3.719 ( 2.979 4.171 -10.753) 11.912 4.587 ( -5.842 0.610 10.533) 12.060 5.033 ( -2.955 0.841 5.531) 6.327 5.228 ( -2.052 -13.898 -1.411) 14.120 5.634 ( -6.134 -2.333 9.794) 11.790 6.001 ( -9.259 1.813 24.729) 26.468 6.343 ( -9.016 1.024 19.571) 21.573 6.427 ( -8.071 -6.373 9.116) 13.742 6.755 ( -7.683 12.346 14.556) 20.575 7.018 ( -1.065 8.183 0.215) 8.255 7.396 ( -4.401 6.068 -10.645) 13.019 7.586 ( 7.279 12.929 0.192) 14.839 7.664 ( 8.704 -5.866 -2.921) 10.895 8.114 ( 0.731 -5.604 -10.832) 12.218 8.499 ( 13.604 0.763 -16.657) 21.520 8.794 ( -1.924 -7.162 10.278) 12.674 9.097 ( -3.462 6.570 1.215) 7.525 9.654 ( 4.996 -3.893 -4.854) 7.979 9.930 ( 5.932 -6.079 -15.295) 17.495 10.367 ( -6.047 -13.265 -8.378) 16.814 10.874 ( 1.244 -8.790 -2.786) 9.305 11.292 ( 2.309 -15.681 0.577) 15.861 11.377 ( 0.122 5.038 -14.112) 14.984 11.787 ( -6.726 7.957 6.495) 12.278 12.002 ( 8.023 -0.497 1.266) 8.138 12.561 ( -4.965 0.768 8.992) 10.300 12.871 ( 3.988 -1.189 -1.732) 4.507 13.090 ( 0.150 5.215 -4.080) 6.623 13.453 ( 3.498 0.989 -4.538) 5.814 13.492 ( -8.654 -7.069 2.780) 11.515 13.995 ( -5.869 -1.793 3.344) 6.989 14.084 ( 2.594 0.932 3.756) 4.658 14.308 ( 5.265 2.521 11.181) 12.613 14.710 ( -6.482 -5.286 12.540) 15.073 14.846 ( -2.432 -9.817 -2.776) 10.488 15.552 ( 3.928 -6.527 -3.065) 8.211 16.074 ( -2.065 -3.681 -2.850) 5.093 16.100 ( 7.142 -1.093 -6.661) 9.827 16.404 ( 9.093 4.459 -1.112) 10.189 17.224 ( -7.649 3.323 0.457) 8.352 17.533 ( 3.012 -5.589 -1.176) 6.457 19.722 ( -14.272 13.994 -0.646) 19.999 19.940 ( 4.013 1.963 4.038) 6.022 20.518 ( 2.390 1.769 5.060) 5.869 21.207 ( 11.695 -6.100 -6.107) 14.535 21.819 ( -19.363 4.213 9.163) 21.832 23.045 ( 13.482 14.805 -11.470) 23.076 ======================= Grid point 226 (119/201) ======================= q-point: (-0.12 0.38 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -6.732 4.068 9.138) 12.057 2.327 ( 1.558 7.130 8.855) 11.475 2.498 ( -4.903 -4.322 1.737) 6.763 2.714 ( -2.950 -2.266 6.004) 7.063 3.059 ( -0.082 -0.674 -1.750) 1.877 3.314 ( 8.646 5.021 -7.660) 12.595 3.647 ( 4.314 2.304 -9.991) 11.123 3.781 ( 3.598 -7.530 -11.096) 13.884 4.525 ( -10.593 0.716 10.014) 14.595 5.050 ( -1.301 0.148 9.699) 9.787 5.394 ( -3.242 -12.171 1.232) 12.656 5.590 ( 0.307 9.940 5.177) 11.212 6.088 ( -11.472 -9.324 20.400) 25.193 6.166 ( -7.295 13.982 20.407) 25.790 6.431 ( -7.696 8.555 14.124) 18.218 6.704 ( -10.054 -10.234 19.938) 24.563 6.973 ( 0.508 -3.213 -2.984) 4.414 7.229 ( -1.704 3.510 -9.616) 10.378 7.479 ( 4.124 8.588 -3.305) 10.083 7.861 ( 7.130 -7.633 -3.378) 10.978 8.146 ( 5.507 -2.356 -11.429) 12.903 8.507 ( 8.005 5.828 -10.391) 14.353 8.841 ( -2.852 3.293 1.648) 4.658 9.143 ( -1.072 -15.924 5.075) 16.747 9.612 ( 1.830 6.114 -9.523) 11.464 10.119 ( 10.633 -11.891 -13.059) 20.615 10.387 ( -9.977 -8.269 -5.439) 14.053 10.994 ( 7.316 0.471 -0.473) 7.346 11.247 ( -1.093 -0.836 -12.142) 12.220 11.539 ( 0.053 -1.112 0.736) 1.334 11.615 ( -1.071 -0.180 6.427) 6.518 12.089 ( 5.034 2.024 1.949) 5.765 12.574 ( -2.407 -1.214 8.561) 8.975 12.900 ( 1.409 2.503 -1.361) 3.178 12.994 ( -0.266 2.492 -2.304) 3.404 13.429 ( -0.101 0.395 -7.408) 7.419 13.530 ( -6.377 -7.397 2.620) 10.112 13.928 ( -2.063 3.339 -1.494) 4.200 14.161 ( 1.086 -1.747 9.873) 10.085 14.404 ( 5.019 1.413 11.127) 12.289 14.686 ( -13.320 0.804 4.632) 14.125 14.917 ( -3.420 -4.287 3.199) 6.349 15.559 ( -1.132 0.091 -5.796) 5.907 15.985 ( -9.354 -4.060 -6.854) 12.286 16.401 ( 11.111 -6.910 2.731) 13.366 16.508 ( 21.889 -4.268 -7.893) 23.657 17.069 ( -9.348 3.726 0.271) 10.067 17.702 ( 9.715 -7.617 -1.387) 12.422 19.322 ( -14.492 16.147 1.271) 21.734 19.989 ( 2.538 -1.085 3.569) 4.512 20.540 ( 1.369 2.382 5.372) 6.034 21.393 ( 6.595 -5.145 -3.608) 9.110 21.584 ( -11.637 3.331 1.792) 12.237 22.851 ( 7.987 20.236 -8.897) 23.504 ======================= Grid point 231 (120/201) ======================= q-point: (-0.50 -0.50 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -11.108 -0.000 2.470) 11.379 2.356 ( -9.650 -0.000 -8.321) 12.742 2.569 ( 6.520 0.000 -3.482) 7.391 2.829 ( -5.150 -0.000 -2.572) 5.757 3.214 ( -6.895 -0.000 3.476) 7.722 3.304 ( 6.310 0.000 -9.565) 11.459 3.702 ( 2.652 0.000 0.500) 2.699 4.005 ( -0.332 -0.000 -1.080) 1.130 4.665 ( 3.542 0.000 12.911) 13.388 4.696 ( 1.464 0.000 -3.190) 3.510 5.179 ( -3.249 -0.000 -7.771) 8.422 5.491 ( -10.377 -0.000 16.408) 19.414 6.036 ( -20.938 -0.000 30.545) 37.032 6.173 ( 0.602 0.000 17.438) 17.449 6.490 ( -0.232 -0.000 16.030) 16.031 6.579 ( 0.456 0.000 -0.366) 0.585 7.566 ( 0.499 0.000 1.789) 1.857 7.659 ( -8.065 -0.000 5.604) 9.821 7.669 ( 8.648 0.000 -7.557) 11.485 7.810 ( -2.146 -0.000 -3.473) 4.082 8.210 ( 4.548 0.000 -9.305) 10.357 8.570 ( 10.517 0.000 -7.919) 13.165 8.948 ( -4.037 -0.000 12.703) 13.329 9.039 ( -8.151 -0.000 -15.883) 17.852 9.157 ( 6.651 0.000 -11.451) 13.243 10.020 ( -2.984 -0.000 5.946) 6.653 10.101 ( -8.145 -0.000 2.854) 8.631 10.527 ( 0.457 0.000 -20.939) 20.944 10.705 ( 3.498 0.000 2.650) 4.389 11.747 ( 3.502 0.000 -15.044) 15.446 11.841 ( 2.970 0.000 -1.425) 3.295 11.857 ( 1.578 0.000 -5.558) 5.778 12.675 ( -13.889 -0.000 11.900) 18.289 12.776 ( 8.444 0.000 -5.288) 9.963 13.246 ( -1.893 -0.000 -7.733) 7.961 13.387 ( -5.631 -0.000 14.781) 15.817 13.666 ( 5.821 0.000 4.038) 7.085 13.736 ( -5.248 -0.000 1.220) 5.388 14.111 ( 2.520 0.000 -0.439) 2.558 14.196 ( -2.131 -0.000 0.507) 2.190 14.476 ( -16.358 -0.000 20.983) 26.606 14.816 ( 2.603 0.000 20.835) 20.997 15.066 ( 8.094 0.000 -19.133) 20.775 16.036 ( 8.678 0.000 -7.065) 11.190 16.255 ( -7.601 -0.000 -2.936) 8.148 16.507 ( 4.033 0.000 -2.659) 4.831 17.344 ( -1.577 -0.000 2.617) 3.056 17.421 ( -7.614 -0.000 1.818) 7.828 19.949 ( 5.034 0.000 3.257) 5.996 20.158 ( -4.283 -0.000 -6.253) 7.579 20.533 ( 3.194 0.000 4.367) 5.410 20.945 ( 3.300 0.000 -3.324) 4.684 22.066 ( -12.874 -0.000 13.174) 18.420 23.207 ( 24.589 0.000 -9.851) 26.489 ======================= Grid point 232 (121/201) ======================= q-point: (-0.38 -0.50 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -12.805 0.726 -4.036) 13.445 2.296 ( -10.898 -7.704 3.086) 13.698 2.593 ( 5.854 5.405 -3.184) 8.580 2.756 ( -5.332 -0.244 -1.096) 5.449 3.122 ( -5.931 2.539 2.540) 6.933 3.296 ( 3.203 1.290 -7.143) 7.934 3.718 ( 2.628 1.215 -1.880) 3.452 3.955 ( 0.464 5.752 -2.378) 6.242 4.634 ( 0.384 4.026 4.842) 6.309 4.869 ( 2.062 -9.959 0.297) 10.174 5.075 ( -4.525 1.628 -4.104) 6.322 5.482 ( -11.316 -3.791 15.904) 19.883 5.983 ( -23.321 -4.839 31.519) 39.506 6.246 ( 0.785 3.283 17.497) 17.820 6.490 ( -0.031 3.901 5.252) 6.542 6.743 ( 3.123 -9.202 7.616) 12.346 7.480 ( -3.305 8.261 -0.312) 8.903 7.527 ( -7.392 7.791 4.318) 11.575 7.673 ( 0.912 3.285 -7.321) 8.076 7.853 ( 4.368 -3.134 -0.333) 5.386 8.125 ( 5.710 10.191 -7.451) 13.856 8.521 ( 5.192 9.858 -8.794) 14.194 8.820 ( 6.432 3.854 -7.628) 10.696 9.123 ( -7.712 -11.705 -1.883) 14.143 9.309 ( 8.716 -12.867 -4.560) 16.196 9.966 ( -2.138 6.236 -4.794) 8.151 10.067 ( -2.972 -4.795 4.948) 7.504 10.527 ( 2.043 -10.457 -15.295) 18.641 10.850 ( 3.979 -9.643 3.955) 11.156 11.618 ( -0.684 7.020 -11.985) 13.906 11.823 ( -2.285 -0.556 -1.848) 2.990 11.927 ( 6.806 -5.420 -11.560) 14.468 12.619 ( -8.907 1.167 20.015) 21.939 12.838 ( 6.392 0.243 -4.439) 7.786 13.197 ( -0.047 -1.691 -6.732) 6.941 13.368 ( -6.585 2.789 9.504) 11.894 13.600 ( -0.734 6.834 -0.557) 6.896 13.811 ( -1.829 -6.752 4.990) 8.593 14.148 ( 2.919 0.663 -3.382) 4.516 14.232 ( -0.676 -7.553 4.455) 8.795 14.444 ( -14.065 -6.060 16.152) 22.259 14.859 ( 7.078 8.823 6.489) 13.040 15.219 ( 7.287 -12.363 -1.594) 14.438 16.090 ( 7.950 0.047 -7.746) 11.100 16.116 ( -10.264 2.123 -2.962) 10.892 16.551 ( 9.952 3.863 -1.126) 10.734 17.310 ( -7.120 2.094 1.344) 7.543 17.382 ( -1.563 -3.854 1.749) 4.511 19.980 ( -1.726 1.646 2.910) 3.763 20.025 ( -6.686 4.607 -3.612) 8.886 20.589 ( 4.859 2.461 5.252) 7.566 21.024 ( 7.683 -4.867 -4.141) 9.993 21.935 ( -17.422 2.726 10.396) 20.470 23.373 ( 19.890 6.406 -9.060) 22.775 ======================= Grid point 233 (122/201) ======================= q-point: (-0.25 -0.50 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -13.130 -0.273 -0.687) 13.151 2.333 ( -9.174 -8.180 3.607) 12.810 2.533 ( 1.169 4.603 2.898) 5.564 2.701 ( -3.169 2.177 2.332) 4.497 3.056 ( -2.730 0.680 -0.235) 2.823 3.303 ( 2.535 -2.931 -5.574) 6.789 3.709 ( 2.599 1.483 -5.984) 6.691 3.837 ( 2.269 8.542 -4.422) 9.882 4.581 ( -5.313 3.342 1.931) 6.567 4.952 ( -6.356 -7.623 0.445) 9.936 5.099 ( 2.819 -4.481 5.795) 7.849 5.517 ( -9.351 -6.647 14.063) 18.149 5.987 ( -21.627 -8.711 29.438) 37.553 6.262 ( -0.615 6.793 13.252) 14.905 6.480 ( -1.348 0.542 5.977) 6.151 6.850 ( -2.196 3.895 7.194) 8.470 7.241 ( -3.702 18.604 6.054) 19.911 7.361 ( -5.665 3.028 -3.785) 7.456 7.636 ( 3.689 -3.192 -6.761) 8.337 7.884 ( 4.159 11.025 2.356) 12.017 8.035 ( 6.379 1.135 -11.800) 13.461 8.503 ( 8.090 -4.353 -9.316) 13.084 8.815 ( 5.481 2.545 -5.148) 7.939 9.134 ( -4.612 0.425 1.930) 5.018 9.613 ( 10.385 -12.379 0.164) 16.159 9.861 ( 3.380 1.171 -14.128) 14.574 10.094 ( -8.898 -6.298 0.841) 10.934 10.707 ( 7.047 -14.147 -7.368) 17.438 11.084 ( 3.650 -13.394 2.368) 14.083 11.427 ( -0.318 7.682 -14.376) 16.303 11.798 ( -4.264 0.019 2.679) 5.036 12.027 ( 6.861 -5.627 -10.839) 14.008 12.623 ( -5.309 3.996 23.477) 24.399 12.894 ( 6.291 -1.376 -3.684) 7.420 13.176 ( 2.131 5.765 -3.036) 6.855 13.313 ( -6.968 -4.758 2.601) 8.829 13.490 ( -1.390 4.280 -4.402) 6.295 13.902 ( -2.338 -4.812 3.759) 6.538 14.150 ( 3.632 1.414 -0.242) 3.905 14.387 ( -0.972 -7.121 10.271) 12.536 14.481 ( -12.256 -10.379 6.180) 17.208 14.872 ( 8.361 4.719 3.277) 10.145 15.455 ( 2.575 -8.891 0.872) 9.297 15.938 ( -11.856 1.442 -2.702) 12.245 16.175 ( 11.640 -3.391 -6.132) 13.586 16.612 ( 13.527 5.362 -2.340) 14.738 17.175 ( -9.175 3.094 0.705) 9.709 17.487 ( 4.394 -6.592 1.785) 8.120 19.745 ( -12.373 11.353 -2.679) 17.005 19.994 ( -1.465 0.372 4.165) 4.431 20.630 ( 4.346 3.578 6.059) 8.271 21.199 ( 9.355 -7.281 -4.322) 12.617 21.708 ( -18.771 4.467 6.416) 20.334 23.368 ( 13.566 14.139 -8.826) 21.490 ======================= Grid point 234 (123/201) ======================= q-point: (-0.12 -0.50 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( -8.099 -2.894 5.767) 10.355 2.332 ( -7.212 -4.448 2.552) 8.849 2.547 ( 3.999 4.405 6.016) 8.461 2.656 ( -4.509 -1.627 4.746) 6.746 3.021 ( -2.869 -0.371 -1.591) 3.301 3.351 ( 0.651 -3.533 -5.687) 6.727 3.656 ( 2.380 2.876 -11.007) 11.623 3.765 ( 5.395 3.102 -5.695) 8.436 4.463 ( -8.901 1.563 4.197) 9.965 5.032 ( -4.772 -6.115 10.806) 13.302 5.234 ( 0.740 -7.617 2.547) 8.066 5.619 ( -3.791 -8.437 9.075) 12.958 6.011 ( -14.290 -0.010 26.961) 30.514 6.252 ( -10.274 -9.084 11.890) 18.150 6.427 ( -3.418 12.126 10.100) 16.147 6.716 ( -7.855 7.821 11.308) 15.835 7.039 ( 1.112 7.961 1.841) 8.247 7.247 ( 1.044 5.368 -5.066) 7.454 7.681 ( 3.431 13.135 -6.697) 15.138 7.782 ( 2.921 -6.806 -0.829) 7.453 8.086 ( 5.799 -4.954 -12.430) 14.583 8.617 ( 12.567 0.903 -17.623) 21.663 8.853 ( -1.444 -5.500 8.000) 9.815 9.037 ( -3.339 6.396 3.381) 7.968 9.719 ( 5.464 7.392 -7.213) 11.684 9.973 ( 7.637 -12.676 -12.142) 19.143 10.123 ( -6.502 -11.984 4.158) 14.254 10.969 ( 9.360 -12.002 -6.518) 16.557 11.204 ( -4.346 5.190 -4.344) 8.043 11.398 ( 7.840 -14.785 -5.407) 17.587 11.721 ( -3.916 6.990 4.498) 9.188 12.116 ( 4.307 -3.920 -9.374) 11.036 12.632 ( -2.906 3.496 17.932) 18.499 12.948 ( 3.647 2.302 -1.821) 4.681 13.077 ( 1.826 6.437 -0.135) 6.693 13.366 ( -3.957 -7.907 2.951) 9.321 13.396 ( -0.820 2.448 -7.973) 8.381 13.925 ( -0.765 -0.342 -1.152) 1.425 14.209 ( 2.965 -1.406 6.893) 7.634 14.461 ( -9.232 -2.375 6.037) 11.283 14.520 ( -6.523 -6.072 5.346) 10.393 14.930 ( 4.985 2.478 5.352) 7.722 15.510 ( -1.489 -0.436 -2.518) 2.958 15.799 ( -9.709 -2.814 -3.736) 10.777 16.415 ( 12.226 -10.190 -1.250) 15.965 16.655 ( 10.765 4.168 -11.859) 16.550 17.058 ( -2.690 2.942 4.512) 6.021 17.683 ( 7.757 -8.350 0.673) 11.417 19.401 ( -10.842 13.955 -0.369) 17.675 19.999 ( -2.233 -0.932 4.504) 5.113 20.644 ( 2.051 4.405 6.174) 7.857 21.299 ( -12.135 -1.115 5.332) 13.302 21.562 ( 6.352 -2.923 -7.420) 10.196 23.191 ( 7.244 19.406 -7.905) 22.171 ======================= Grid point 240 (124/201) ======================= q-point: (-0.38 -0.38 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -15.710 -0.000 -3.416) 16.077 2.117 ( -13.938 -0.000 10.102) 17.214 2.668 ( -6.829 -0.000 0.194) 6.832 2.722 ( 9.771 0.000 -5.385) 11.157 3.060 ( -7.340 -0.000 0.779) 7.381 3.280 ( -1.167 -0.000 -5.520) 5.642 3.736 ( 0.972 0.000 -2.178) 2.385 3.986 ( -1.604 -0.000 0.171) 1.613 4.703 ( 1.327 0.000 -0.546) 1.435 4.751 ( -4.729 -0.000 -8.488) 9.716 5.060 ( 0.450 0.000 5.826) 5.843 5.406 ( -11.114 -0.000 15.325) 18.931 5.870 ( -21.181 -0.000 32.777) 39.026 6.323 ( -2.613 -0.000 14.034) 14.276 6.633 ( 2.199 0.000 1.743) 2.806 6.724 ( 4.763 0.000 14.390) 15.157 7.406 ( -10.891 -0.000 -0.863) 10.925 7.618 ( -3.011 -0.000 7.225) 7.828 7.629 ( 0.975 0.000 -11.066) 11.109 7.896 ( 8.636 0.000 -5.357) 10.163 8.274 ( 4.079 0.000 -1.044) 4.211 8.570 ( -4.186 -0.000 -11.403) 12.147 8.864 ( 8.022 0.000 -6.948) 10.612 8.925 ( 2.942 0.000 -15.034) 15.320 9.318 ( 7.773 0.000 10.290) 12.896 9.974 ( -4.943 -0.000 1.552) 5.181 10.040 ( -1.390 -0.000 0.647) 1.533 10.430 ( 11.285 0.000 -14.121) 18.077 10.878 ( 7.773 0.000 3.954) 8.721 11.566 ( -9.253 -0.000 -3.245) 9.806 11.804 ( 0.134 0.000 -8.109) 8.110 11.854 ( 8.843 0.000 -19.125) 21.070 12.683 ( -3.135 -0.000 26.878) 27.060 12.907 ( 5.602 0.000 -1.639) 5.837 13.100 ( -1.470 -0.000 -8.379) 8.507 13.418 ( -5.103 -0.000 12.716) 13.702 13.572 ( -6.766 -0.000 -2.458) 7.198 13.825 ( 2.528 0.000 5.072) 5.667 14.122 ( -2.066 -0.000 -2.156) 2.986 14.181 ( 2.971 0.000 -3.368) 4.491 14.341 ( -10.566 -0.000 14.086) 17.608 15.137 ( 6.987 0.000 13.861) 15.523 15.138 ( 7.571 0.000 -3.225) 8.230 15.977 ( -13.396 -0.000 -2.561) 13.639 16.139 ( 7.983 0.000 -8.138) 11.400 16.712 ( 13.413 0.000 -2.851) 13.713 17.225 ( -9.658 -0.000 0.620) 9.678 17.372 ( 1.509 0.000 4.227) 4.488 19.937 ( -9.184 -0.000 -4.842) 10.383 19.981 ( -3.768 -0.000 3.396) 5.072 20.706 ( 4.999 0.000 7.092) 8.677 21.059 ( 9.408 0.000 -4.183) 10.296 21.786 ( -20.283 -0.000 7.364) 21.579 23.595 ( 16.971 0.000 -8.638) 19.043 ======================= Grid point 241 (125/201) ======================= q-point: (-0.25 -0.38 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -15.997 -2.328 2.642) 16.380 2.096 ( -13.577 -9.717 12.477) 20.843 2.571 ( -5.452 2.790 2.800) 6.734 2.768 ( 4.871 2.994 -3.114) 6.511 3.005 ( -2.582 -1.141 -2.377) 3.691 3.236 ( -3.924 -1.959 -2.341) 4.971 3.716 ( 0.311 1.447 -4.543) 4.778 3.930 ( -1.439 4.286 0.307) 4.531 4.562 ( -7.014 4.250 -7.795) 11.315 4.788 ( -1.053 -7.123 1.072) 7.280 5.129 ( 1.028 -1.100 9.488) 9.607 5.402 ( -9.301 -4.703 14.230) 17.639 5.819 ( -17.969 -1.543 28.563) 33.780 6.387 ( -3.816 -2.458 13.986) 14.704 6.546 ( 0.204 10.193 2.852) 10.586 6.916 ( 2.679 -2.368 9.466) 10.119 7.278 ( -7.848 -0.671 -1.341) 7.990 7.473 ( -2.001 13.242 1.652) 13.494 7.621 ( 0.913 1.314 -5.411) 5.643 7.957 ( 5.734 -0.672 -6.704) 8.848 8.172 ( 1.142 10.007 -0.444) 10.081 8.539 ( 5.008 0.395 -6.160) 7.949 8.857 ( 7.945 0.762 -17.134) 18.902 9.001 ( 1.219 -9.219 -4.321) 10.255 9.577 ( 8.407 -11.309 11.605) 18.255 9.884 ( -0.967 5.446 -2.778) 6.190 10.006 ( -2.031 1.189 -2.514) 3.444 10.608 ( 13.379 -8.996 -4.863) 16.840 11.028 ( 8.221 -5.530 -1.027) 9.961 11.407 ( -7.977 3.354 -5.839) 10.439 11.766 ( 1.205 -0.056 -3.697) 3.889 11.917 ( 6.767 -7.171 -17.925) 20.458 12.793 ( -1.717 6.006 25.922) 26.664 12.948 ( 8.208 -1.457 1.594) 8.487 13.141 ( 2.579 -7.521 -7.170) 10.706 13.332 ( -5.296 9.262 8.142) 13.421 13.480 ( -5.049 1.837 -2.807) 6.062 13.864 ( -0.674 -1.405 4.146) 4.429 14.152 ( -8.328 -9.842 1.211) 12.950 14.213 ( 6.108 -0.833 -4.407) 7.578 14.361 ( -3.994 -4.951 10.134) 11.965 15.103 ( 7.321 8.762 5.755) 12.786 15.384 ( 3.455 -8.118 5.100) 10.191 15.791 ( -14.875 0.971 -0.661) 14.921 16.209 ( 9.116 -2.970 -7.256) 12.024 16.800 ( 10.126 3.668 -8.906) 13.975 17.127 ( -5.355 1.437 4.301) 7.017 17.469 ( 4.813 -4.998 4.321) 8.174 19.737 ( -9.999 7.721 -4.246) 13.328 19.965 ( -4.621 -1.770 3.054) 5.815 20.768 ( 2.706 3.297 8.254) 9.291 21.188 ( 8.241 -4.350 -3.289) 9.882 21.562 ( -18.619 1.369 2.941) 18.900 23.644 ( 11.276 9.394 -10.133) 17.835 ======================= Grid point 242 (126/201) ======================= q-point: (-0.12 -0.38 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -10.947 -7.297 8.689) 15.767 2.159 ( -11.918 -8.707 9.927) 17.787 2.536 ( -3.985 -2.894 6.025) 7.781 2.744 ( 3.819 4.504 -0.787) 5.957 2.977 ( -1.491 0.661 -3.389) 3.761 3.229 ( -6.117 -5.256 0.290) 8.070 3.654 ( 0.545 2.166 -8.215) 8.513 3.866 ( 2.750 4.647 -1.122) 5.515 4.406 ( -6.615 1.378 -1.613) 6.947 4.917 ( -2.168 -8.730 8.264) 12.215 5.201 ( -0.415 -2.203 6.758) 7.120 5.479 ( -6.674 -8.642 13.091) 17.047 5.839 ( -15.305 -8.968 23.941) 29.796 6.321 ( -4.683 12.424 8.592) 15.815 6.510 ( -2.693 -2.646 7.097) 8.039 6.833 ( -5.324 14.066 6.535) 16.398 7.211 ( -0.593 11.034 -1.466) 11.147 7.316 ( 0.437 1.333 5.902) 6.066 7.639 ( 4.125 -5.203 -7.403) 9.945 7.942 ( -1.616 9.761 2.058) 10.106 8.027 ( 3.343 3.721 -12.720) 13.668 8.634 ( 11.266 -4.889 -7.721) 14.506 8.828 ( 3.280 1.404 -11.515) 12.055 9.116 ( 1.942 -2.020 1.082) 3.003 9.803 ( 3.630 2.065 -9.756) 10.613 9.892 ( 7.608 -5.090 4.075) 10.019 9.963 ( -3.227 -5.728 8.981) 11.130 10.886 ( 11.189 -10.180 -5.475) 16.087 11.176 ( -2.374 -4.272 5.124) 7.081 11.290 ( 5.635 -3.452 -15.026) 16.415 11.766 ( 0.166 1.298 0.875) 1.574 11.998 ( 4.141 -7.194 -16.356) 18.342 12.774 ( -1.366 6.183 14.934) 16.221 13.069 ( 3.809 8.413 0.374) 9.242 13.181 ( 2.090 3.806 -1.390) 4.559 13.246 ( -0.770 -6.069 8.230) 10.255 13.410 ( 1.642 1.967 -3.203) 4.101 13.891 ( -1.847 -2.226 0.901) 3.029 14.179 ( -9.443 -6.537 0.906) 11.520 14.318 ( 7.596 -4.271 -1.902) 8.920 14.451 ( -3.923 -4.140 10.499) 11.948 15.107 ( 5.818 6.467 6.900) 11.103 15.483 ( -1.576 -2.298 0.487) 2.829 15.628 ( -11.766 -1.113 1.551) 11.920 16.381 ( 9.790 -9.186 -4.818) 14.264 16.717 ( -1.038 5.519 -13.168) 14.315 17.145 ( 6.982 1.643 4.664) 8.555 17.653 ( 5.772 -7.349 2.435) 9.657 19.473 ( -6.580 10.725 -2.222) 12.777 19.953 ( -5.561 -2.167 3.468) 6.903 20.757 ( -2.757 4.744 8.214) 9.878 21.185 ( -12.205 2.460 4.340) 13.186 21.525 ( 8.408 -8.237 -8.082) 14.278 23.472 ( 3.061 16.557 -11.281) 20.268 ======================= Grid point 249 (127/201) ======================= q-point: (-0.25 -0.25 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -15.680 -0.000 12.103) 19.808 1.930 ( -15.506 -0.000 19.067) 24.576 2.543 ( -4.970 -0.000 2.590) 5.604 2.789 ( -2.798 -0.000 -0.088) 2.799 2.991 ( 6.598 0.000 -9.533) 11.594 3.140 ( -9.691 -0.000 3.802) 10.410 3.712 ( 0.423 0.000 -4.075) 4.097 3.934 ( -3.073 -0.000 1.533) 3.434 4.445 ( -9.112 -0.000 -6.416) 11.144 4.763 ( 2.745 0.000 2.825) 3.939 5.177 ( -1.257 -0.000 10.010) 10.088 5.335 ( -8.549 -0.000 14.355) 16.708 5.794 ( -12.403 -0.000 23.498) 26.570 6.364 ( -5.771 -0.000 11.319) 12.705 6.661 ( -1.603 -0.000 1.178) 1.990 6.963 ( 2.952 0.000 10.223) 10.641 7.182 ( -6.939 -0.000 0.117) 6.940 7.564 ( 4.572 0.000 -11.850) 12.701 7.622 ( -3.902 -0.000 8.185) 9.068 7.958 ( 3.585 0.000 -10.580) 11.171 8.333 ( -0.554 -0.000 4.372) 4.407 8.454 ( 4.272 0.000 -4.731) 6.374 8.837 ( 7.395 0.000 -21.035) 22.297 9.011 ( 7.724 0.000 -3.385) 8.433 9.631 ( 5.301 0.000 14.987) 15.897 9.914 ( -3.357 -0.000 5.724) 6.635 9.998 ( 4.165 0.000 -8.640) 9.592 10.721 ( 17.207 0.000 -1.304) 17.256 11.045 ( 5.766 0.000 -7.923) 9.799 11.294 ( -11.629 -0.000 0.173) 11.630 11.798 ( 4.481 0.000 -1.258) 4.654 11.832 ( 8.592 0.000 -22.517) 24.100 12.983 ( -0.266 -0.000 8.867) 8.871 13.051 ( 5.433 0.000 -8.267) 9.893 13.112 ( 14.038 0.000 21.194) 25.421 13.405 ( -6.475 -0.000 10.763) 12.560 13.419 ( -3.812 -0.000 -1.080) 3.962 13.852 ( -3.682 -0.000 2.557) 4.483 13.963 ( -8.100 -0.000 -2.077) 8.362 14.270 ( 8.359 0.000 -6.534) 10.609 14.362 ( 2.749 0.000 9.252) 9.651 15.304 ( 3.376 0.000 8.401) 9.054 15.338 ( -0.106 -0.000 -0.346) 0.362 15.639 ( -13.610 -0.000 7.352) 15.469 16.239 ( 7.887 0.000 -7.475) 10.866 16.806 ( -2.495 -0.000 -12.524) 12.770 17.181 ( 7.499 0.000 4.126) 8.559 17.518 ( 5.599 0.000 5.809) 8.068 19.675 ( -6.704 -0.000 -5.599) 8.735 19.895 ( -6.299 -0.000 2.300) 6.705 20.840 ( -5.207 -0.000 11.250) 12.396 21.246 ( 10.224 0.000 -5.720) 11.715 21.364 ( -15.530 -0.000 1.041) 15.565 23.750 ( 5.069 0.000 -15.075) 15.904 ======================= Grid point 250 (128/201) ======================= q-point: (-0.12 -0.25 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -10.755 -3.973 19.417) 22.549 1.943 ( -14.113 -8.868 19.447) 25.612 2.504 ( -2.744 0.037 2.496) 3.710 2.762 ( -3.010 -1.177 1.470) 3.550 2.999 ( 6.194 2.370 -10.510) 12.427 3.080 ( -11.590 -4.128 10.027) 15.872 3.666 ( 1.214 3.375 -5.838) 6.852 3.917 ( -0.361 -0.184 1.568) 1.620 4.337 ( -5.078 0.326 0.266) 5.096 4.851 ( 1.460 -4.774 5.808) 7.658 5.205 ( -3.342 -0.666 8.943) 9.570 5.366 ( -6.591 -5.678 13.177) 15.790 5.757 ( -10.317 1.014 18.509) 21.214 6.373 ( -9.354 -2.358 11.040) 14.660 6.545 ( -1.313 9.176 0.705) 9.296 7.011 ( -2.097 8.709 6.526) 11.083 7.161 ( -2.490 -8.423 0.370) 8.791 7.475 ( -0.264 13.130 2.762) 13.420 7.613 ( 4.643 -3.251 -7.204) 9.166 7.947 ( 1.020 0.532 -7.132) 7.224 8.172 ( -1.972 12.670 3.477) 13.286 8.678 ( 10.059 -7.840 -2.010) 12.911 8.805 ( 5.824 1.040 -19.975) 20.833 9.064 ( 6.709 -3.449 -4.658) 8.866 9.858 ( 3.411 -9.407 11.680) 15.380 9.879 ( -1.843 3.430 9.437) 10.209 10.008 ( 6.156 2.230 -4.469) 7.927 10.882 ( 9.346 -1.906 -6.165) 11.357 11.097 ( -1.583 -4.542 -3.825) 6.145 11.219 ( 1.197 -4.780 -2.654) 5.597 11.790 ( 4.964 0.894 -11.113) 12.204 11.886 ( 5.190 -3.850 -10.103) 11.993 12.933 ( 1.120 6.980 6.120) 9.351 13.134 ( 2.378 -2.954 -7.316) 8.240 13.235 ( -3.332 9.301 4.045) 10.676 13.363 ( 2.739 3.188 9.381) 10.280 13.467 ( 7.936 0.136 10.223) 12.943 13.830 ( -2.950 -1.981 1.245) 3.766 13.951 ( -7.330 -9.549 -0.076) 12.038 14.358 ( 8.553 -3.052 -5.165) 10.447 14.486 ( 8.529 -0.018 7.520) 11.371 15.253 ( -2.316 0.129 -4.520) 5.080 15.365 ( -6.933 1.051 8.916) 11.343 15.595 ( -3.283 0.752 13.545) 13.958 16.337 ( 7.672 -6.061 -6.095) 11.522 16.666 ( -5.326 2.674 -11.768) 13.191 17.294 ( 11.346 1.754 -0.298) 11.485 17.640 ( 3.491 -3.872 3.900) 6.511 19.543 ( -0.040 6.732 -4.517) 8.107 19.843 ( -9.311 -2.843 1.579) 9.863 20.754 ( -15.627 2.053 10.150) 18.747 21.179 ( -1.107 6.091 0.515) 6.212 21.440 ( 7.959 -10.332 -6.383) 14.520 23.575 ( -6.691 9.509 -18.642) 21.971 ======================= Grid point 258 (129/201) ======================= q-point: (-0.12 -0.12 0.27) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -5.530 -0.000 27.738) 28.284 1.838 ( -11.958 -0.000 24.397) 27.170 2.487 ( -1.336 -0.000 0.311) 1.372 2.728 ( -1.947 -0.000 2.142) 2.895 2.976 ( -13.758 -0.000 20.297) 24.521 3.026 ( 5.731 0.000 -12.890) 14.106 3.694 ( 2.209 0.000 -4.190) 4.736 3.900 ( 0.302 0.000 -0.231) 0.380 4.329 ( -0.120 -0.000 5.984) 5.985 4.867 ( 2.192 0.000 4.063) 4.617 5.195 ( -6.095 -0.000 9.647) 11.411 5.320 ( -5.808 -0.000 12.953) 14.195 5.753 ( -8.758 -0.000 13.065) 15.728 6.288 ( -11.403 -0.000 10.894) 15.770 6.606 ( -1.950 -0.000 -1.103) 2.240 7.028 ( -4.343 -0.000 3.909) 5.844 7.114 ( -0.382 -0.000 3.019) 3.043 7.589 ( 8.057 0.000 -10.779) 13.457 7.603 ( -5.548 -0.000 7.597) 9.407 7.894 ( 1.381 0.000 -9.322) 9.424 8.374 ( -1.031 -0.000 8.488) 8.551 8.597 ( 11.108 0.000 -7.220) 13.248 8.805 ( 7.709 0.000 -19.309) 20.791 9.147 ( 4.829 0.000 2.265) 5.334 9.850 ( -0.759 -0.000 14.564) 14.584 9.937 ( -1.877 -0.000 9.545) 9.728 10.093 ( 10.576 0.000 -5.579) 11.957 10.907 ( -4.238 -0.000 -5.639) 7.054 10.987 ( 0.182 0.000 -11.218) 11.220 11.228 ( 8.509 0.000 4.904) 9.821 11.768 ( 7.039 0.000 -21.967) 23.067 11.893 ( 2.944 0.000 -1.142) 3.158 13.008 ( -3.870 -0.000 5.898) 7.054 13.129 ( 7.426 0.000 -9.311) 11.910 13.275 ( -7.081 -0.000 5.862) 9.192 13.424 ( 3.214 0.000 5.207) 6.120 13.632 ( -3.379 -0.000 3.421) 4.808 13.754 ( -6.736 -0.000 -2.338) 7.131 13.872 ( 8.114 0.000 13.927) 16.118 14.403 ( 9.041 0.000 -7.265) 11.599 14.653 ( 10.083 0.000 3.909) 10.814 15.077 ( -8.370 -0.000 -9.186) 12.427 15.446 ( -1.616 -0.000 13.675) 13.770 15.692 ( 5.131 0.000 18.764) 19.453 16.337 ( 5.977 0.000 -5.257) 7.960 16.565 ( -3.917 -0.000 -11.392) 12.047 17.440 ( 13.517 0.000 -4.978) 14.404 17.650 ( -1.626 -0.000 2.980) 3.394 19.623 ( 10.836 0.000 -7.095) 12.952 19.678 ( -15.809 -0.000 0.048) 15.809 20.616 ( -16.513 -0.000 8.608) 18.622 21.297 ( 3.681 0.000 4.435) 5.764 21.370 ( 7.011 0.000 -9.006) 11.413 23.356 ( -23.092 -0.000 -22.539) 32.268 ======================= Grid point 259 (130/201) ======================= q-point: ( 0.00 0.00 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -2.835 -0.000 13.540) 13.833 2.303 ( -2.448 -0.000 19.181) 19.337 2.549 ( 5.995 0.000 0.355) 6.005 2.772 ( 1.322 0.000 -0.409) 1.384 2.895 ( 2.310 0.000 0.588) 2.383 3.205 ( -1.161 -0.000 1.021) 1.546 3.646 ( 3.594 0.000 -3.148) 4.778 3.835 ( 3.746 0.000 -8.152) 8.971 4.624 ( 5.278 0.000 7.739) 9.368 4.914 ( -4.783 -0.000 -0.708) 4.835 5.379 ( -11.627 -0.000 13.247) 17.626 5.596 ( -1.087 -0.000 10.664) 10.720 6.023 ( -7.113 -0.000 17.825) 19.191 6.202 ( -10.635 -0.000 2.922) 11.029 6.740 ( -1.662 -0.000 13.886) 13.986 7.002 ( -9.235 -0.000 10.744) 14.167 7.259 ( 6.123 0.000 1.019) 6.207 7.501 ( 8.140 0.000 -7.854) 11.311 7.663 ( -5.734 -0.000 5.562) 7.988 7.664 ( -3.110 -0.000 -6.370) 7.089 8.233 ( 5.548 0.000 -20.985) 21.706 8.545 ( 10.058 0.000 -12.030) 15.681 8.868 ( 2.356 0.000 13.061) 13.272 9.264 ( 4.185 0.000 -4.931) 6.468 10.002 ( -11.518 -0.000 3.918) 12.166 10.207 ( 0.081 0.000 8.158) 8.159 10.234 ( 8.997 0.000 -3.486) 9.649 10.745 ( -0.949 -0.000 -3.990) 4.101 10.841 ( -2.142 -0.000 4.161) 4.680 11.257 ( 11.923 0.000 -9.701) 15.371 11.576 ( 3.435 0.000 -2.604) 4.310 11.776 ( -1.918 -0.000 -6.859) 7.122 13.049 ( -6.391 -0.000 2.724) 6.947 13.067 ( 5.519 0.000 -3.607) 6.593 13.242 ( -6.046 -0.000 2.624) 6.591 13.436 ( -8.517 -0.000 6.801) 10.899 13.564 ( 1.313 0.000 -4.273) 4.470 13.667 ( 1.747 0.000 1.135) 2.083 14.400 ( -17.159 -0.000 0.193) 17.160 14.424 ( 10.200 0.000 -3.800) 10.885 14.648 ( -0.132 -0.000 19.324) 19.324 15.204 ( 9.219 0.000 13.003) 15.939 15.615 ( -12.425 -0.000 -0.308) 12.428 16.075 ( 3.003 0.000 -19.792) 20.019 16.442 ( 18.415 0.000 7.157) 19.757 16.475 ( 5.195 0.000 5.550) 7.602 17.383 ( -19.038 -0.000 -3.407) 19.340 17.542 ( 19.620 0.000 -9.817) 21.939 19.187 ( -24.423 -0.000 3.860) 24.726 19.732 ( 22.342 0.000 -13.757) 26.238 20.588 ( -5.853 -0.000 6.528) 8.767 21.164 ( 7.348 0.000 -12.891) 14.838 21.651 ( 8.717 0.000 8.879) 12.443 22.180 ( -28.779 -0.000 -9.050) 30.168 ======================= Grid point 260 (131/201) ======================= q-point: ( 0.12 0.00 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -1.743 5.641 12.884) 14.173 2.387 ( -2.210 -1.035 15.779) 15.967 2.667 ( 7.969 -3.227 -0.053) 8.598 2.804 ( 3.350 -1.887 -1.782) 4.238 2.897 ( 0.211 3.972 2.530) 4.714 3.163 ( -0.852 2.529 -3.686) 4.551 3.605 ( 2.901 6.086 -2.985) 7.373 3.845 ( 3.801 0.589 -11.565) 12.188 4.726 ( 3.046 -1.358 9.402) 9.976 4.936 ( -4.602 -10.769 -2.284) 11.931 5.282 ( -10.402 3.755 12.914) 17.002 5.672 ( -1.156 -3.193 8.137) 8.817 6.050 ( -5.167 -0.875 10.441) 11.682 6.150 ( -7.505 -5.327 14.057) 16.802 6.806 ( -1.189 -0.557 15.650) 15.705 6.994 ( -8.203 -3.467 12.257) 15.151 7.315 ( 4.117 8.289 1.950) 9.458 7.402 ( -1.694 6.275 -1.065) 6.586 7.584 ( 7.036 -0.961 -10.999) 13.092 7.784 ( -5.449 -9.550 0.689) 11.017 8.145 ( 3.509 5.040 -18.775) 19.753 8.462 ( 1.090 11.517 3.335) 12.040 8.981 ( 11.064 4.890 -6.864) 13.908 9.152 ( 0.263 7.345 -2.153) 7.658 9.890 ( -9.737 -0.239 -2.323) 10.013 10.180 ( 3.773 11.027 -0.518) 11.667 10.332 ( -2.293 -5.969 -1.389) 6.544 10.819 ( 6.593 -9.198 -4.012) 12.007 10.893 ( -5.264 -9.881 8.499) 14.056 11.387 ( 11.075 -1.669 -2.584) 11.494 11.610 ( 2.126 -3.481 -4.774) 6.279 11.730 ( -1.696 -2.726 -7.851) 8.482 12.929 ( -7.623 5.251 3.079) 9.755 13.018 ( -0.844 7.867 -0.432) 7.924 13.223 ( -1.766 2.667 1.635) 3.592 13.328 ( 0.130 3.170 4.179) 5.247 13.648 ( -1.137 -6.320 -0.445) 6.437 13.734 ( 0.215 -5.939 1.475) 6.124 14.216 ( -14.489 -2.822 -2.512) 14.973 14.486 ( 7.779 3.393 2.572) 8.868 14.760 ( -6.189 -2.797 18.599) 19.801 15.344 ( 2.895 2.744 18.438) 18.865 15.469 ( -8.300 -0.648 -8.233) 11.708 15.967 ( -1.833 0.415 -19.180) 19.272 16.520 ( 3.991 4.809 3.201) 7.021 16.663 ( 20.444 5.061 0.977) 21.084 17.119 ( -19.521 0.222 -4.254) 19.980 17.716 ( 20.427 2.983 -7.817) 22.074 18.999 ( -20.122 -6.705 6.458) 22.171 19.895 ( 18.975 1.167 -13.379) 23.246 20.574 ( -3.190 -0.375 6.017) 6.820 21.200 ( 12.780 0.800 -11.841) 17.441 21.775 ( -12.403 0.409 5.118) 13.424 21.942 ( -4.139 -11.349 0.990) 12.121 ======================= Grid point 261 (132/201) ======================= q-point: ( 0.25 0.00 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -1.145 4.277 13.821) 14.513 2.455 ( -1.408 -0.447 13.175) 13.257 2.727 ( 1.745 7.019 -0.124) 7.233 2.823 ( -0.198 2.769 1.756) 3.285 2.915 ( 6.424 -6.032 -3.145) 9.356 3.095 ( 1.218 2.165 -7.969) 8.347 3.538 ( 1.833 4.533 -3.558) 6.047 3.756 ( 2.339 6.143 -12.864) 14.446 4.799 ( -3.925 0.579 11.148) 11.832 5.046 ( -6.561 -12.590 -0.633) 14.211 5.244 ( -1.038 -2.658 7.037) 7.593 5.687 ( 0.068 3.839 1.332) 4.064 6.126 ( -4.736 -8.931 15.291) 18.331 6.307 ( -4.592 -12.051 16.834) 21.206 6.900 ( -1.853 -2.589 16.799) 17.098 7.008 ( -8.084 4.490 12.383) 15.454 7.105 ( -0.804 10.023 1.370) 10.148 7.369 ( -0.476 3.434 -3.750) 5.107 7.597 ( 1.392 3.616 -2.977) 4.887 7.813 ( 1.997 -0.698 -6.233) 6.582 7.973 ( 1.510 9.162 -10.974) 14.375 8.401 ( -2.174 0.028 8.038) 8.327 8.784 ( 4.468 15.100 -11.909) 19.743 9.229 ( 7.854 -5.893 -7.055) 12.091 9.738 ( -3.752 8.069 -5.428) 10.424 9.978 ( 3.939 14.200 -11.672) 18.798 10.338 ( -8.156 -4.386 -0.450) 9.271 11.031 ( 9.644 -6.267 -2.996) 11.885 11.089 ( -7.941 -16.984 11.686) 22.092 11.442 ( 5.734 7.727 2.011) 9.830 11.686 ( -1.366 -9.605 -9.649) 13.683 11.781 ( 5.107 -7.609 -5.107) 10.491 12.806 ( -7.255 1.945 5.147) 9.106 12.879 ( -0.226 8.746 1.584) 8.892 13.135 ( 1.146 7.312 2.197) 7.720 13.338 ( -0.786 0.606 -1.479) 1.781 13.670 ( -3.202 0.077 0.879) 3.321 13.831 ( 0.052 -4.597 3.507) 5.782 14.147 ( -8.383 -8.507 -4.342) 12.708 14.560 ( 5.389 0.208 4.404) 6.962 14.770 ( -9.863 0.748 18.560) 21.031 15.345 ( -5.243 2.326 -3.658) 6.804 15.387 ( -3.180 2.828 11.769) 12.515 15.840 ( -4.537 -1.648 -14.685) 15.458 16.457 ( 1.358 6.784 -3.432) 7.723 16.749 ( 15.264 11.045 -7.451) 20.261 16.965 ( -7.914 -4.718 1.677) 9.365 17.822 ( 13.872 4.933 -5.379) 15.675 18.988 ( -10.584 -10.242 7.142) 16.369 19.991 ( 10.685 0.673 -8.453) 13.641 20.589 ( -1.611 -1.155 5.632) 5.971 21.314 ( 19.539 1.284 -11.630) 22.774 21.572 ( -20.968 -2.154 2.993) 21.290 22.229 ( 7.886 -14.991 5.224) 17.726 ======================= Grid point 262 (133/201) ======================= q-point: (-0.62 0.00 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -0.317 4.615 13.566) 14.333 2.516 ( 0.047 -1.198 8.474) 8.558 2.570 ( -3.219 9.320 1.110) 9.922 2.824 ( 0.778 1.226 1.393) 2.012 2.985 ( -1.812 -0.052 -2.514) 3.099 3.111 ( 8.592 -4.426 -9.897) 13.834 3.449 ( -0.873 4.571 -7.853) 9.128 3.643 ( 2.911 3.465 -8.841) 9.932 4.737 ( -9.194 5.100 13.939) 17.460 5.141 ( -4.680 -9.364 0.310) 10.473 5.376 ( 1.720 -8.646 0.306) 8.821 5.625 ( 3.236 6.396 1.229) 7.273 6.314 ( -5.138 -11.425 16.114) 20.411 6.541 ( -4.825 -13.247 16.978) 22.069 6.735 ( -10.476 16.556 12.275) 23.120 7.033 ( 0.834 -5.343 12.449) 13.573 7.107 ( 0.650 4.794 3.706) 6.094 7.257 ( -1.284 0.902 -5.693) 5.905 7.406 ( -10.330 16.787 12.568) 23.377 7.792 ( 4.451 4.529 -12.842) 14.326 7.874 ( 7.084 -0.302 -15.713) 17.239 8.382 ( 0.114 5.616 -2.683) 6.225 8.720 ( 2.018 -8.282 -1.847) 8.722 9.331 ( 3.207 -1.346 -10.133) 10.713 9.505 ( -0.857 14.008 4.122) 14.627 9.833 ( 8.664 3.396 -21.589) 23.509 10.299 ( -5.544 -2.577 0.651) 6.148 11.106 ( 6.918 5.714 -1.761) 9.144 11.277 ( -5.430 -1.977 9.533) 11.148 11.413 ( 1.366 -5.867 1.596) 6.232 11.756 ( -1.898 -9.430 -10.447) 14.201 11.891 ( 4.892 1.347 -3.824) 6.354 12.719 ( -4.661 1.537 -0.722) 4.961 12.872 ( 2.490 -2.613 7.097) 7.962 13.080 ( 3.176 5.339 2.241) 6.604 13.251 ( -5.148 2.482 -4.230) 7.110 13.616 ( -2.049 2.764 0.978) 3.577 13.900 ( 1.274 -0.677 4.742) 4.956 14.182 ( -4.484 -8.498 -6.581) 11.646 14.559 ( -6.839 2.753 4.666) 8.725 14.831 ( 0.730 -2.894 21.156) 21.366 15.200 ( -8.034 6.058 1.530) 10.177 15.371 ( -3.037 -0.863 5.255) 6.130 15.756 ( -4.072 -1.840 -8.614) 9.704 16.357 ( -0.089 2.593 -9.228) 9.585 16.669 ( 6.346 8.490 -7.878) 13.206 17.029 ( 5.187 -1.849 1.299) 5.658 17.845 ( 6.521 4.352 -3.605) 8.630 19.094 ( -2.711 -8.832 5.660) 10.834 20.041 ( 4.144 -0.130 -3.453) 5.396 20.633 ( -0.591 -2.753 5.061) 5.792 21.391 ( -17.720 -1.648 4.045) 18.250 21.465 ( 19.917 2.833 -10.552) 22.717 22.563 ( 6.277 -15.604 2.247) 16.968 ======================= Grid point 263 (134/201) ======================= q-point: (-0.50 0.00 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 0.329 9.999 11.193) 15.012 2.440 ( -5.300 3.939 5.513) 8.603 2.591 ( 2.137 -3.434 1.977) 4.502 2.797 ( -1.431 3.848 3.396) 5.328 2.948 ( -3.015 -0.420 -0.140) 3.047 3.186 ( 1.850 -1.902 -8.842) 9.232 3.369 ( 3.748 -1.411 -10.628) 11.358 3.618 ( 2.687 -0.928 -6.589) 7.176 4.624 ( -7.205 6.594 13.063) 16.311 5.207 ( -4.152 -5.476 2.463) 7.300 5.433 ( 1.029 5.381 3.051) 6.271 5.648 ( 3.553 -4.543 -3.116) 6.555 6.456 ( -10.243 6.424 18.488) 22.090 6.511 ( -5.847 -5.572 12.277) 14.695 6.728 ( -7.267 -3.006 16.127) 17.942 6.919 ( -5.486 14.658 9.784) 18.457 7.124 ( -5.725 8.844 9.421) 14.133 7.229 ( 4.128 -8.304 7.592) 11.985 7.352 ( 0.521 -12.321 -2.475) 12.578 7.695 ( 0.526 2.182 -13.662) 13.845 7.864 ( 7.248 3.038 -15.727) 17.581 8.291 ( 4.839 2.275 -13.684) 14.692 8.939 ( 1.036 -14.165 4.904) 15.026 9.134 ( -4.643 14.214 -0.570) 14.964 9.491 ( 6.634 -0.612 -8.370) 10.697 9.811 ( 7.167 -0.898 -14.367) 16.080 10.325 ( 2.248 -2.757 2.089) 4.126 11.076 ( 6.774 5.168 -4.716) 9.739 11.170 ( -3.161 11.358 10.308) 15.661 11.606 ( -0.022 -12.939 -0.118) 12.939 11.765 ( -1.160 7.813 4.535) 9.108 11.798 ( 1.260 3.611 -16.083) 16.532 12.691 ( -1.371 -4.278 -3.662) 5.795 12.947 ( -1.517 0.851 3.773) 4.154 13.105 ( 2.982 -1.445 2.676) 4.259 13.192 ( -0.031 -4.515 -4.108) 6.105 13.571 ( 0.996 3.269 3.402) 4.822 13.940 ( 2.001 1.190 5.359) 5.843 14.165 ( -7.448 -2.880 -8.147) 11.407 14.480 ( -1.227 3.265 7.286) 8.077 14.939 ( -11.495 6.106 19.969) 23.837 15.094 ( 3.755 -3.020 3.824) 6.151 15.427 ( -0.904 -5.987 3.937) 7.222 15.687 ( -4.022 0.698 -2.816) 4.959 16.276 ( -0.501 -0.643 -14.396) 14.419 16.587 ( 4.768 6.462 -5.999) 10.024 17.118 ( 5.330 -1.517 -1.105) 5.651 17.818 ( 1.578 3.280 -2.189) 4.247 19.221 ( 1.996 -5.407 2.925) 6.463 20.045 ( -0.568 1.311 -0.817) 1.646 20.705 ( -1.357 -4.732 3.939) 6.305 21.234 ( -17.280 -1.807 4.800) 18.025 21.574 ( 19.601 6.909 -9.227) 22.739 22.829 ( 1.526 -13.956 -3.120) 14.382 ======================= Grid point 264 (135/201) ======================= q-point: (-0.38 0.00 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -0.271 9.489 13.485) 16.491 2.366 ( -7.586 2.543 10.120) 12.901 2.651 ( -1.749 -0.211 0.187) 1.772 2.748 ( 2.256 2.177 2.179) 3.818 2.908 ( -4.902 0.967 1.825) 5.320 3.160 ( -0.033 -1.438 -6.361) 6.522 3.416 ( 3.992 -3.282 -8.435) 9.892 3.680 ( 4.888 -7.302 -8.522) 12.241 4.532 ( -2.542 7.047 11.187) 13.464 5.234 ( -4.273 -0.896 7.727) 8.876 5.350 ( 1.277 7.645 2.381) 8.108 5.712 ( 0.474 -1.076 -1.659) 2.033 6.348 ( -8.922 2.295 11.830) 14.994 6.462 ( -12.908 13.579 21.988) 28.887 6.738 ( -5.722 2.688 12.718) 14.202 6.781 ( -7.290 -7.597 10.827) 15.102 7.162 ( 2.538 -4.627 7.831) 9.443 7.418 ( 1.885 -1.353 0.561) 2.387 7.530 ( 4.539 -8.744 -2.601) 10.190 7.627 ( 1.277 -4.553 -15.329) 16.041 7.838 ( -0.573 -6.760 0.455) 6.799 8.310 ( 10.741 -4.842 -19.374) 22.675 8.855 ( -4.329 14.733 -1.675) 15.447 9.129 ( 2.778 -2.278 -1.806) 4.021 9.560 ( 8.493 -7.493 -9.407) 14.723 9.868 ( 4.048 -4.714 -5.612) 8.372 10.430 ( 6.078 -0.148 7.122) 9.364 11.003 ( -5.177 9.646 4.947) 12.014 11.091 ( 8.805 2.318 -6.053) 10.933 11.525 ( -1.257 19.172 2.088) 19.326 11.704 ( 0.545 2.025 -7.588) 7.872 11.777 ( 2.000 -5.900 -2.334) 6.653 12.761 ( -0.302 -8.798 -4.050) 9.690 12.939 ( -2.025 -1.720 3.521) 4.411 13.141 ( -0.293 -1.731 0.305) 1.781 13.287 ( 2.666 -5.448 -4.780) 7.723 13.613 ( 6.366 0.162 5.945) 8.712 13.972 ( 1.619 1.912 6.014) 6.515 14.035 ( -7.844 1.529 -4.697) 9.270 14.504 ( 4.519 2.719 3.958) 6.594 14.781 ( -7.978 6.483 14.582) 17.842 15.212 ( 4.258 1.737 -3.138) 5.567 15.513 ( -8.507 -6.076 14.435) 17.823 15.679 ( 2.054 -4.048 4.469) 6.370 16.215 ( 2.060 -1.732 -16.943) 17.156 16.514 ( 1.849 5.082 -4.863) 7.272 17.186 ( 3.867 -2.556 -3.900) 6.058 17.768 ( -2.071 1.915 -0.715) 2.910 19.327 ( 5.823 -2.228 -0.684) 6.272 19.967 ( -5.917 4.244 -0.258) 7.286 20.761 ( -7.140 -5.689 3.926) 9.938 21.110 ( -9.754 -1.111 2.002) 10.019 21.614 ( 15.771 9.829 -6.297) 19.621 22.951 ( -6.049 -10.383 -9.795) 15.503 ======================= Grid point 265 (136/201) ======================= q-point: (-0.25 0.00 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -2.413 3.533 19.534) 19.997 2.298 ( -7.531 2.800 13.162) 15.421 2.579 ( -3.968 3.526 3.179) 6.187 2.791 ( 3.791 0.529 -1.832) 4.243 2.844 ( -2.653 0.562 0.654) 2.789 3.168 ( 0.649 -1.539 -2.174) 2.741 3.471 ( 3.062 -4.653 -5.478) 7.813 3.809 ( 5.463 -6.738 -9.782) 13.074 4.489 ( 1.584 5.479 10.170) 11.660 5.173 ( -0.330 11.000 7.404) 13.264 5.332 ( -5.022 -5.328 4.666) 8.683 5.677 ( -1.722 5.132 5.001) 7.369 6.187 ( -11.514 10.619 18.541) 24.272 6.355 ( -12.741 -3.700 10.158) 16.710 6.665 ( -4.295 2.387 11.448) 12.458 6.993 ( -1.260 -12.935 10.000) 16.398 7.245 ( -3.719 3.420 3.493) 6.143 7.363 ( 0.009 -2.485 -2.143) 3.282 7.526 ( 7.646 6.670 -12.837) 16.363 7.797 ( 3.557 -12.031 1.488) 12.633 8.088 ( -2.541 -20.778 4.466) 21.403 8.435 ( 3.371 -2.942 -8.803) 9.875 8.612 ( 7.950 6.326 -13.713) 17.067 9.089 ( 5.346 6.072 -7.539) 11.058 9.802 ( 9.165 -12.104 -3.370) 15.552 9.967 ( 1.269 -7.671 -2.173) 8.073 10.501 ( 4.321 9.192 15.024) 18.136 10.805 ( -6.014 7.469 -2.838) 10.000 11.143 ( 11.198 0.679 -13.516) 17.566 11.244 ( -5.126 15.906 6.310) 17.863 11.619 ( 2.701 5.765 -4.743) 7.939 11.853 ( 2.248 -1.274 -2.376) 3.511 12.877 ( 0.990 -8.663 -3.926) 9.562 12.988 ( -3.605 -5.447 5.218) 8.360 13.183 ( 0.906 -4.180 0.556) 4.313 13.345 ( -0.503 -5.160 -6.686) 8.461 13.706 ( 3.953 4.493 8.360) 10.282 13.912 ( -4.464 3.170 -2.062) 5.851 14.021 ( 5.165 -2.801 2.117) 6.245 14.494 ( -1.252 4.250 8.625) 9.696 14.808 ( 8.325 1.141 11.017) 13.856 15.049 ( -5.013 10.810 -9.935) 15.514 15.645 ( -5.368 -7.983 18.760) 21.083 15.845 ( 4.530 -7.578 6.476) 10.950 16.191 ( 5.395 -0.849 -14.806) 15.782 16.430 ( 0.373 4.152 -3.604) 5.511 17.255 ( 5.332 -4.077 -6.756) 9.523 17.703 ( -6.229 0.473 -0.005) 6.247 19.424 ( 10.688 -0.505 -4.991) 11.807 19.776 ( -13.460 6.093 -0.162) 14.775 20.728 ( -13.599 -3.076 6.311) 15.304 21.085 ( 1.636 -2.564 -4.734) 5.627 21.595 ( 11.668 10.831 -1.982) 16.043 22.870 ( -15.972 -4.924 -14.880) 22.378 ======================= Grid point 266 (137/201) ======================= q-point: (-0.12 0.00 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -4.136 -2.829 20.595) 21.196 2.273 ( -4.150 2.087 16.161) 16.815 2.527 ( 1.231 2.768 1.350) 3.316 2.776 ( -0.267 1.531 0.864) 1.778 2.860 ( 2.679 -1.034 -2.042) 3.523 3.189 ( -0.361 -1.526 1.318) 2.048 3.565 ( 3.525 -5.839 -4.068) 7.942 3.860 ( 4.041 0.681 -8.451) 9.392 4.526 ( 4.312 1.340 8.715) 9.815 5.029 ( -2.286 9.129 2.382) 9.707 5.385 ( -8.609 -5.732 10.661) 14.854 5.606 ( -2.123 5.643 9.168) 10.972 6.053 ( -10.370 4.086 18.809) 21.864 6.298 ( -11.713 -2.453 4.034) 12.629 6.687 ( -2.859 -0.593 13.497) 13.809 7.101 ( -7.558 5.442 4.648) 10.409 7.175 ( 3.196 -3.798 4.333) 6.589 7.435 ( 2.113 -5.106 -6.227) 8.325 7.526 ( 4.350 -4.389 -2.664) 6.729 7.888 ( -2.666 5.484 0.553) 6.123 8.274 ( 4.366 -0.551 -21.437) 21.884 8.376 ( 1.454 -10.485 5.902) 12.120 8.774 ( 12.397 -3.251 -7.299) 14.749 9.119 ( 4.391 -8.140 -1.364) 9.349 9.993 ( 8.042 -3.753 -5.912) 10.663 10.113 ( -3.201 -9.992 7.157) 12.701 10.349 ( -0.609 19.685 7.530) 21.085 10.725 ( -0.758 -2.974 -0.373) 3.091 10.977 ( -5.091 12.311 1.385) 13.394 11.207 ( 11.321 2.092 -11.142) 16.021 11.568 ( 4.080 3.528 -2.647) 6.009 11.837 ( -0.578 1.320 -4.920) 5.126 12.982 ( 2.805 -5.544 -3.497) 7.130 13.052 ( -3.488 -4.475 4.543) 7.268 13.275 ( -1.226 -3.938 1.573) 4.414 13.365 ( -5.631 -9.339 -3.823) 11.556 13.677 ( 1.859 6.488 5.389) 8.636 13.744 ( -5.571 9.979 -1.009) 11.473 14.232 ( 11.077 -8.894 -0.814) 14.229 14.490 ( -4.122 1.485 14.587) 15.231 14.744 ( -7.986 10.738 -3.462) 13.823 15.007 ( 13.078 -0.570 7.729) 15.202 15.718 ( -10.707 -2.469 10.326) 15.078 16.058 ( 9.072 -7.194 -8.324) 14.260 16.218 ( 9.136 0.216 0.359) 9.146 16.402 ( 3.752 1.180 1.343) 4.156 17.366 ( 10.129 -4.691 -8.767) 14.193 17.594 ( -11.101 0.730 -1.455) 11.220 19.479 ( -18.410 4.055 0.697) 18.864 19.562 ( 14.700 0.500 -9.329) 17.417 20.643 ( -10.336 -0.461 6.820) 12.392 21.134 ( 5.386 -3.002 -10.556) 12.225 21.574 ( 9.019 7.969 4.153) 12.732 22.576 ( -25.331 0.066 -14.514) 29.194 ======================= Grid point 268 (138/201) ======================= q-point: ( 0.12 0.12 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.370 ( -0.090 -0.000 6.807) 6.807 2.443 ( 0.023 0.000 12.867) 12.867 2.726 ( 7.960 0.000 -0.366) 7.968 2.810 ( 2.116 0.000 -1.832) 2.799 2.976 ( 3.333 0.000 3.267) 4.668 3.141 ( -1.674 -0.000 -6.457) 6.671 3.682 ( 1.367 0.000 -1.326) 1.904 3.827 ( 4.848 0.000 -11.589) 12.562 4.767 ( -4.823 -0.000 -3.403) 5.902 4.815 ( 2.002 0.000 10.147) 10.343 5.252 ( -11.029 -0.000 13.755) 17.631 5.676 ( -1.735 -0.000 9.164) 9.327 6.065 ( -6.388 -0.000 9.920) 11.799 6.094 ( -1.748 -0.000 12.783) 12.902 6.866 ( -2.520 -0.000 15.663) 15.865 6.958 ( -8.490 -0.000 18.997) 20.808 7.406 ( 5.093 0.000 -1.686) 5.364 7.473 ( -4.847 -0.000 -7.704) 9.102 7.607 ( 8.632 0.000 -10.085) 13.275 7.616 ( -1.902 -0.000 4.163) 4.577 8.126 ( 4.185 0.000 -17.213) 17.714 8.598 ( 3.511 0.000 -8.077) 8.808 9.039 ( 0.721 0.000 10.580) 10.605 9.248 ( 2.734 0.000 -12.241) 12.543 9.692 ( -16.801 -0.000 4.323) 17.348 10.313 ( 2.173 0.000 3.540) 4.154 10.319 ( 1.566 0.000 -2.386) 2.854 10.724 ( 4.462 0.000 -10.758) 11.647 10.810 ( -5.158 -0.000 4.753) 7.014 11.463 ( 9.847 0.000 -6.955) 12.055 11.600 ( 3.308 0.000 -0.900) 3.428 11.660 ( -0.530 -0.000 -6.125) 6.148 12.853 ( -9.777 -0.000 -0.676) 9.800 13.131 ( 2.302 0.000 -1.123) 2.561 13.215 ( -1.450 -0.000 7.868) 8.001 13.387 ( -5.176 -0.000 11.968) 13.040 13.615 ( 6.392 0.000 -3.673) 7.372 13.698 ( 1.485 0.000 0.238) 1.504 13.996 ( -15.135 -0.000 -3.241) 15.478 14.576 ( 2.288 0.000 2.039) 3.065 14.788 ( -7.486 -0.000 22.543) 23.753 15.328 ( -3.767 -0.000 -14.772) 15.244 15.484 ( -3.088 -0.000 23.681) 23.881 15.815 ( -4.852 -0.000 -20.252) 20.825 16.613 ( 3.254 0.000 -0.244) 3.263 16.847 ( -19.515 -0.000 -4.165) 19.955 16.935 ( 18.867 0.000 -3.407) 19.172 17.901 ( 10.930 0.000 -6.507) 12.720 18.832 ( -5.202 -0.000 8.947) 10.350 20.023 ( 14.629 0.000 -16.836) 22.304 20.570 ( -2.688 -0.000 6.227) 6.782 21.326 ( 19.467 0.000 -11.531) 22.626 21.548 ( -20.064 -0.000 0.091) 20.064 21.971 ( 7.533 0.000 14.241) 16.111 ======================= Grid point 269 (139/201) ======================= q-point: ( 0.25 0.12 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 0.785 3.341 5.417) 6.413 2.512 ( 0.036 0.084 10.091) 10.091 2.785 ( 1.188 0.864 -1.195) 1.894 2.870 ( 3.030 -3.479 0.026) 4.614 2.969 ( 4.717 6.995 -1.718) 8.610 3.088 ( 1.584 0.385 -7.468) 7.644 3.625 ( 0.366 6.672 -0.676) 6.716 3.795 ( 3.820 3.987 -12.247) 13.434 4.770 ( -2.266 -8.249 -3.634) 9.294 4.868 ( -5.632 0.513 13.002) 14.179 5.225 ( -4.529 -1.800 9.240) 10.447 5.720 ( -0.378 -1.234 5.749) 5.892 6.072 ( -4.546 -2.355 15.793) 16.602 6.211 ( -0.953 -7.385 12.173) 14.270 6.917 ( -6.857 -1.496 17.599) 18.947 6.985 ( -7.790 -2.290 17.717) 19.489 7.272 ( -1.197 11.854 -5.651) 13.187 7.424 ( 2.837 3.133 -3.657) 5.589 7.623 ( 3.570 0.352 -3.966) 5.348 7.737 ( 4.485 -7.329 -6.175) 10.581 8.053 ( 3.675 5.963 -12.521) 14.347 8.481 ( -2.119 8.687 2.070) 9.178 9.013 ( -0.798 19.157 -10.225) 21.730 9.171 ( 2.504 -7.802 -0.450) 8.206 9.629 ( -8.406 -8.040 -3.683) 12.201 10.205 ( 0.036 17.035 -4.020) 17.503 10.262 ( -2.492 3.112 -1.080) 4.131 10.770 ( -4.810 -13.811 2.259) 14.798 10.985 ( 3.894 -17.396 -2.071) 17.946 11.478 ( -0.510 -1.474 -13.847) 13.935 11.622 ( 3.553 4.515 2.106) 6.119 11.725 ( 7.651 -6.435 -1.734) 10.146 12.741 ( -7.893 0.080 0.507) 7.910 13.061 ( 2.017 9.586 3.853) 10.526 13.240 ( -0.059 3.247 1.637) 3.637 13.355 ( -3.651 4.122 9.311) 10.817 13.673 ( 1.339 1.174 -1.293) 2.200 13.778 ( 1.886 -6.078 4.285) 7.672 13.884 ( -7.681 -9.026 -5.705) 13.153 14.586 ( -2.936 -0.088 2.812) 4.066 14.808 ( -7.524 0.546 21.887) 23.150 15.211 ( -2.731 -0.871 -18.970) 19.185 15.506 ( -10.948 4.439 25.775) 28.354 15.681 ( -1.842 -2.016 -16.355) 16.581 16.524 ( -4.340 7.067 -5.125) 9.749 16.705 ( -6.345 -4.454 -6.882) 10.367 17.091 ( 14.600 3.360 -1.413) 15.048 17.904 ( -2.652 0.065 -3.653) 4.515 18.944 ( 11.012 -1.530 7.697) 13.522 20.059 ( 8.393 1.050 -13.493) 15.925 20.581 ( -2.314 -1.015 6.089) 6.593 21.342 ( -15.641 -0.941 2.198) 15.822 21.539 ( 25.738 1.447 -11.347) 28.165 22.192 ( 5.777 -7.875 14.091) 17.145 ======================= Grid point 270 (140/201) ======================= q-point: ( 0.38 0.12 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 1.418 1.983 5.876) 6.362 2.534 ( -1.767 1.231 4.674) 5.146 2.715 ( -2.062 7.365 1.484) 7.791 2.870 ( 1.804 2.961 1.180) 3.663 2.970 ( 1.938 0.443 -3.306) 3.857 3.098 ( 6.219 -1.327 -8.352) 10.497 3.500 ( -1.044 8.296 -2.771) 8.808 3.695 ( 3.807 5.763 -9.749) 11.948 4.804 ( -7.029 5.063 16.067) 18.253 4.901 ( -2.876 -13.245 -4.127) 14.168 5.289 ( -1.067 -5.480 2.802) 6.246 5.746 ( 2.595 3.006 3.235) 5.122 6.197 ( -5.626 -8.624 19.064) 21.667 6.412 ( -0.253 -11.061 13.369) 17.354 6.862 ( -13.580 7.436 14.688) 21.342 7.041 ( -3.930 -5.166 9.712) 11.682 7.133 ( 2.632 4.400 3.402) 6.153 7.337 ( 2.499 9.040 -5.230) 10.739 7.579 ( -1.742 9.338 3.797) 10.230 7.840 ( 9.644 -2.956 -15.233) 18.270 7.884 ( -1.083 10.007 -8.014) 12.866 8.411 ( -4.239 1.669 5.236) 6.940 8.708 ( -0.101 8.475 -8.032) 11.677 9.279 ( 2.481 -4.748 -6.647) 8.538 9.619 ( -1.674 0.196 -5.821) 6.060 9.906 ( 1.119 13.645 -11.518) 17.892 10.209 ( -3.101 -1.728 0.513) 3.587 10.986 ( -7.609 -18.782 6.953) 21.425 11.228 ( 8.028 -4.165 -4.042) 9.906 11.439 ( -4.659 -12.751 -16.104) 21.062 11.576 ( 2.784 9.260 5.245) 11.000 11.897 ( 5.371 -5.701 -2.398) 8.192 12.692 ( -3.368 -1.150 1.501) 3.862 12.975 ( 2.050 8.373 5.827) 10.405 13.163 ( -1.814 3.564 -3.420) 5.262 13.267 ( -2.276 7.240 4.906) 9.037 13.628 ( -1.706 0.420 -2.273) 2.873 13.915 ( 2.290 -3.737 6.878) 8.156 13.973 ( -0.467 -9.286 -4.055) 10.144 14.536 ( -7.008 0.807 4.287) 8.255 14.885 ( -3.505 -4.091 21.364) 22.033 15.084 ( -6.313 -2.218 -15.843) 17.198 15.405 ( -14.057 5.044 21.799) 26.424 15.657 ( 4.126 -2.527 -12.188) 13.114 16.361 ( -2.672 5.604 -5.119) 8.046 16.653 ( -3.372 -1.676 -9.321) 10.053 17.172 ( 10.357 3.991 -1.344) 11.180 17.843 ( -6.154 -1.431 -2.499) 6.795 19.149 ( 15.278 0.526 5.584) 16.274 20.066 ( 4.513 0.348 -7.461) 8.727 20.610 ( -2.337 -2.032 5.568) 6.371 21.197 ( -13.808 -0.593 3.224) 14.191 21.747 ( 26.452 4.662 -10.217) 28.737 22.454 ( 3.178 -10.748 9.513) 14.701 ======================= Grid point 271 (141/201) ======================= q-point: (-0.50 0.12 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 0.834 3.289 5.629) 6.573 2.473 ( -4.768 4.313 1.362) 6.572 2.632 ( 1.918 3.429 2.908) 4.888 2.864 ( 0.733 2.414 3.434) 4.261 2.941 ( 0.527 3.392 -0.579) 3.481 3.114 ( -1.156 -1.330 -7.632) 7.833 3.389 ( 5.242 3.908 -7.361) 9.845 3.621 ( 2.215 3.048 -6.912) 7.872 4.734 ( -5.217 6.207 17.205) 19.020 5.045 ( -1.235 -11.028 -3.446) 11.620 5.377 ( -2.217 -8.295 0.108) 8.586 5.724 ( 2.920 6.358 1.391) 7.133 6.367 ( -7.605 -9.896 19.931) 23.517 6.605 ( -7.384 5.720 12.026) 15.227 6.671 ( -2.542 -2.456 14.597) 15.019 7.141 ( -4.382 -8.105 0.717) 9.242 7.177 ( -0.312 -0.227 5.669) 5.682 7.203 ( 4.895 10.784 3.203) 12.268 7.343 ( -5.814 16.656 12.667) 21.718 7.675 ( -2.100 6.417 -12.768) 14.444 7.907 ( 12.010 -0.118 -18.375) 21.952 8.288 ( -3.667 4.219 -7.072) 9.015 8.774 ( 1.807 -12.481 3.258) 13.025 9.244 ( -1.968 7.510 -5.295) 9.397 9.532 ( 0.301 3.093 -0.780) 3.204 9.781 ( 5.675 -0.341 -19.540) 20.350 10.268 ( 1.540 -7.178 0.155) 7.343 11.110 ( -4.662 -5.315 -1.944) 7.332 11.288 ( -0.410 1.907 3.959) 4.414 11.503 ( -0.454 -5.316 -2.589) 5.930 11.575 ( 3.797 -7.432 -8.092) 11.624 11.944 ( 1.193 4.116 -0.647) 4.334 12.675 ( 1.529 2.522 -0.906) 3.085 12.923 ( -6.661 0.424 6.319) 9.192 13.102 ( 0.104 -0.281 -4.095) 4.106 13.209 ( 4.643 3.481 0.807) 5.859 13.619 ( 1.368 -1.265 -1.847) 2.624 14.001 ( 1.432 0.441 7.628) 7.774 14.039 ( -1.108 -2.242 -1.299) 2.818 14.494 ( -4.587 -1.895 4.723) 6.851 14.932 ( -13.309 1.000 4.921) 14.225 15.076 ( 1.500 -7.906 13.256) 15.507 15.336 ( -8.580 -2.847 8.796) 12.613 15.691 ( 7.400 0.377 -7.409) 10.478 16.228 ( -1.816 4.654 -6.257) 8.007 16.579 ( -3.940 -1.254 -9.733) 10.575 17.204 ( 6.605 3.673 -2.407) 7.932 17.777 ( -6.828 -1.530 -2.363) 7.385 19.331 ( 15.370 2.375 3.385) 15.916 20.060 ( 0.758 1.707 -2.905) 3.454 20.636 ( -4.542 -2.689 4.856) 7.172 21.080 ( -9.825 -0.614 2.535) 10.165 21.888 ( 22.112 8.442 -7.370) 24.790 22.652 ( -1.204 -9.434 2.253) 9.774 ======================= Grid point 272 (142/201) ======================= q-point: (-0.38 0.12 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -3.893 8.211 7.154) 11.565 2.384 ( -3.467 2.609 7.453) 8.623 2.647 ( 0.536 0.543 0.919) 1.194 2.837 ( 2.213 5.094 3.157) 6.388 2.898 ( -2.439 1.899 3.119) 4.391 3.076 ( -0.631 -2.948 -7.915) 8.470 3.406 ( 6.702 -0.092 -8.296) 10.665 3.602 ( 3.004 -3.178 -7.946) 9.070 4.694 ( -0.852 6.773 15.586) 17.015 5.137 ( -3.258 -6.087 1.522) 7.070 5.472 ( -0.351 -3.855 1.349) 4.099 5.650 ( -0.067 3.295 -3.830) 5.052 6.419 ( -7.861 10.627 14.956) 19.960 6.519 ( -8.814 -8.407 18.960) 22.535 6.770 ( -0.905 4.221 9.242) 10.200 6.904 ( -9.646 22.026 19.507) 30.963 7.182 ( 3.037 -5.645 4.194) 7.661 7.303 ( -4.141 -12.923 4.673) 14.352 7.416 ( 4.697 -7.178 3.848) 9.402 7.505 ( -1.913 1.895 -14.923) 15.164 7.896 ( 8.578 6.510 -12.488) 16.489 8.225 ( 3.788 -5.177 -15.236) 16.531 8.983 ( -2.789 3.384 1.832) 4.752 9.060 ( 0.289 -2.951 1.838) 3.489 9.522 ( 5.718 -0.934 -12.792) 14.043 9.795 ( 4.096 -5.570 -12.629) 14.397 10.433 ( 4.889 -9.132 0.056) 10.358 11.112 ( 0.605 -3.134 -7.686) 8.322 11.149 ( -6.694 12.119 8.276) 16.130 11.613 ( -1.257 -6.834 -8.172) 10.727 11.698 ( 8.590 -5.490 -3.142) 10.668 11.808 ( -2.078 12.841 4.795) 13.864 12.673 ( 2.006 -0.974 -1.657) 2.778 12.890 ( -5.964 -2.292 5.563) 8.472 13.095 ( -1.100 -1.939 -3.209) 3.908 13.261 ( 5.274 -0.976 -2.620) 5.970 13.695 ( 5.977 -4.764 -1.291) 7.752 13.984 ( -2.607 4.656 4.218) 6.802 14.052 ( 1.345 1.734 5.457) 5.881 14.498 ( -8.374 -2.965 4.750) 10.074 14.843 ( -3.057 0.185 10.066) 10.521 15.278 ( 6.631 -0.157 -1.309) 6.761 15.349 ( -10.701 -10.440 13.515) 20.153 15.733 ( 6.588 1.686 0.418) 6.813 16.143 ( 1.968 0.269 -8.938) 9.156 16.494 ( -5.447 -1.387 -8.472) 10.167 17.203 ( 4.479 2.083 -4.027) 6.373 17.699 ( -7.718 -1.059 -2.351) 8.138 19.474 ( 15.163 3.656 0.739) 15.615 19.968 ( -6.449 6.027 -0.423) 8.837 20.630 ( -7.745 -2.782 5.216) 9.743 21.030 ( -2.086 -1.527 -0.992) 2.769 21.932 ( 15.937 11.395 -3.686) 19.935 22.706 ( -7.424 -5.511 -5.376) 10.695 ======================= Grid point 273 (143/201) ======================= q-point: (-0.25 0.12 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -8.754 4.706 14.916) 17.924 2.359 ( -2.215 3.284 10.946) 11.641 2.612 ( -1.411 2.856 2.603) 4.114 2.833 ( -0.386 0.664 1.643) 1.813 2.853 ( 2.241 3.671 0.267) 4.309 3.108 ( 1.366 -4.624 -6.120) 7.791 3.437 ( 4.398 -1.506 -5.598) 7.276 3.700 ( 5.920 -8.530 -11.466) 15.469 4.678 ( 1.881 7.095 13.676) 15.521 5.186 ( -5.794 -5.333 6.990) 10.530 5.402 ( 0.603 12.581 0.961) 12.632 5.659 ( -1.594 -6.684 -4.891) 8.434 6.268 ( -8.055 8.142 12.028) 16.609 6.445 ( -10.295 17.041 23.823) 31.047 6.744 ( -0.963 4.500 8.804) 9.934 6.816 ( -6.552 -11.754 17.600) 22.155 7.276 ( -3.238 3.594 -1.701) 5.128 7.358 ( 0.908 0.647 2.106) 2.382 7.511 ( -0.748 -14.404 -5.649) 15.490 7.657 ( 4.283 -11.592 0.414) 12.365 7.871 ( 3.892 -3.688 -2.256) 5.817 8.333 ( 6.746 -9.384 -13.093) 17.464 8.754 ( -0.189 12.894 -5.978) 14.214 9.168 ( 4.875 1.328 -5.958) 7.813 9.628 ( 3.045 -15.164 -5.836) 16.531 9.874 ( 5.287 -6.032 -12.722) 15.040 10.622 ( 4.732 -7.373 1.607) 8.906 10.893 ( -8.837 14.233 6.168) 17.852 11.166 ( 6.540 -3.629 -8.438) 11.276 11.476 ( -4.209 17.313 3.872) 18.233 11.695 ( 1.262 2.799 -0.079) 3.071 11.849 ( 5.692 -2.657 -4.066) 7.482 12.728 ( -0.944 -5.877 0.901) 6.021 12.914 ( -3.418 -4.101 5.317) 7.535 13.106 ( -2.288 -5.300 -4.197) 7.137 13.297 ( 3.841 0.733 -4.118) 5.678 13.835 ( -0.727 -5.640 -2.961) 6.411 13.907 ( 2.139 7.775 7.724) 11.166 14.069 ( 4.956 0.897 2.624) 5.679 14.451 ( -11.765 -2.840 10.721) 16.169 14.960 ( 7.175 -2.961 9.648) 12.382 15.129 ( -6.413 10.202 -5.783) 13.366 15.555 ( -1.118 -8.100 11.903) 14.441 15.829 ( 7.918 -5.235 -1.597) 9.626 16.178 ( 7.486 -2.158 -5.623) 9.608 16.409 ( -5.609 -2.146 -5.810) 8.356 17.228 ( 4.687 -1.875 -4.553) 6.798 17.602 ( -7.855 -0.375 -3.301) 8.528 19.593 ( 15.902 3.684 -2.722) 16.548 19.721 ( -15.714 9.650 1.264) 18.484 20.608 ( -6.808 -1.775 5.944) 9.211 21.054 ( 4.158 -2.203 -5.982) 7.611 21.896 ( 9.734 12.239 0.697) 15.654 22.576 ( -14.276 0.139 -10.459) 17.698 ======================= Grid point 274 (144/201) ======================= q-point: (-0.12 0.12 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -7.103 -1.760 17.654) 19.111 2.357 ( -3.298 2.247 15.485) 15.991 2.612 ( 4.992 1.301 1.400) 5.345 2.809 ( 0.175 1.683 1.205) 2.077 2.857 ( 1.607 -0.225 -1.491) 2.204 3.146 ( 0.365 -2.887 -4.173) 5.088 3.506 ( 4.004 -4.536 -4.315) 7.431 3.813 ( 4.857 -6.109 -12.323) 14.587 4.683 ( 2.945 5.235 11.657) 13.114 5.175 ( -4.534 12.222 2.770) 13.327 5.253 ( -5.762 -4.179 5.896) 9.242 5.687 ( -0.877 0.183 2.069) 2.255 6.123 ( -6.967 6.471 9.338) 13.327 6.254 ( -10.065 9.395 22.511) 26.388 6.750 ( -0.621 1.880 13.713) 13.856 7.060 ( -5.213 -13.917 12.898) 19.678 7.127 ( -3.569 2.883 -2.433) 5.193 7.382 ( 0.482 0.958 2.486) 2.708 7.576 ( 6.621 0.265 -11.432) 13.214 7.849 ( -1.728 -7.513 2.927) 8.246 8.058 ( 0.931 -15.357 -8.102) 17.388 8.376 ( -3.429 3.563 5.842) 7.654 8.728 ( 13.090 -10.936 -16.443) 23.692 9.134 ( 6.328 4.231 -7.832) 10.921 9.882 ( -4.115 -15.720 -0.701) 16.265 9.960 ( 8.176 -8.197 -11.919) 16.616 10.573 ( -10.140 11.819 -0.618) 15.585 10.787 ( 8.279 2.880 6.633) 10.992 11.160 ( -4.448 18.457 4.294) 19.465 11.279 ( 6.770 -2.606 -2.254) 7.597 11.663 ( 3.766 4.918 -2.909) 6.843 11.843 ( 0.878 4.075 -6.906) 8.066 12.831 ( -3.195 -9.456 3.854) 10.699 12.971 ( -3.285 -5.071 2.408) 6.504 13.156 ( -3.405 -8.551 -2.518) 9.542 13.298 ( 4.016 2.070 -2.576) 5.201 13.772 ( -5.206 4.075 1.418) 6.762 13.832 ( -1.485 7.307 1.861) 7.685 14.248 ( 11.230 -5.804 2.049) 12.806 14.411 ( -11.302 -0.991 8.558) 14.211 14.869 ( -7.014 10.550 3.695) 13.197 15.154 ( 6.725 -3.532 12.662) 14.766 15.593 ( -8.571 -1.737 0.231) 8.749 16.009 ( 8.219 -4.332 -13.661) 16.520 16.316 ( 12.104 -5.004 2.821) 13.398 16.423 ( 2.353 -5.648 0.401) 6.132 17.278 ( -6.810 -4.288 -2.130) 8.324 17.540 ( 6.639 -0.549 -7.371) 9.936 19.355 ( -21.531 10.445 3.370) 24.167 19.730 ( 17.984 1.096 -7.451) 19.498 20.588 ( -4.625 -0.214 5.984) 7.566 21.117 ( 8.300 -2.138 -9.916) 13.106 21.829 ( 4.070 9.363 5.675) 11.681 22.275 ( -18.252 6.198 -9.987) 21.709 ======================= Grid point 277 (145/201) ======================= q-point: ( 0.25 0.25 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 0.504 0.000 -0.119) 0.518 2.554 ( -0.133 -0.000 4.756) 4.758 2.778 ( -5.280 -0.000 2.048) 5.663 2.884 ( 6.332 0.000 -2.873) 6.954 3.014 ( -0.341 -0.000 -9.026) 9.033 3.126 ( 8.186 0.000 -2.058) 8.441 3.683 ( -1.001 -0.000 1.226) 1.583 3.824 ( 6.238 0.000 -11.733) 13.289 4.653 ( -1.204 -0.000 -3.986) 4.164 4.894 ( -7.929 -0.000 17.474) 19.189 5.207 ( -1.911 -0.000 4.767) 5.136 5.732 ( -1.011 -0.000 8.109) 8.172 6.107 ( -2.642 -0.000 15.770) 15.990 6.214 ( 0.704 0.000 11.706) 11.727 6.885 ( -10.665 -0.000 13.438) 17.155 6.971 ( -11.257 -0.000 23.006) 25.612 7.342 ( 2.888 0.000 -7.368) 7.914 7.447 ( 2.897 0.000 -3.557) 4.588 7.656 ( 2.750 0.000 -1.307) 3.045 7.715 ( 9.171 0.000 -9.129) 12.940 8.091 ( 5.269 0.000 -10.913) 12.119 8.526 ( -4.315 -0.000 -2.382) 4.929 9.104 ( -1.935 -0.000 2.994) 3.564 9.146 ( 3.440 0.000 -19.341) 19.645 9.374 ( -14.640 -0.000 6.508) 16.021 10.272 ( -4.171 -0.000 -0.260) 4.179 10.353 ( -1.188 -0.000 -0.193) 1.204 10.656 ( 0.299 0.000 -14.038) 14.041 10.721 ( -5.550 -0.000 5.532) 7.836 11.432 ( 3.552 0.000 -16.297) 16.680 11.666 ( 4.227 0.000 -0.967) 4.336 11.803 ( 7.258 0.000 3.757) 8.173 12.652 ( -5.875 -0.000 -1.157) 5.988 13.160 ( 2.180 0.000 -3.150) 3.830 13.281 ( -4.363 -0.000 10.547) 11.414 13.436 ( -2.520 -0.000 13.452) 13.686 13.639 ( -9.406 -0.000 -5.736) 11.017 13.722 ( 4.194 0.000 -0.153) 4.196 13.814 ( 8.003 0.000 1.270) 8.103 14.543 ( -6.209 -0.000 1.698) 6.437 14.827 ( -8.481 -0.000 20.707) 22.377 15.038 ( -5.174 -0.000 -24.915) 25.446 15.510 ( -19.324 -0.000 27.799) 33.856 15.610 ( 6.375 0.000 -12.783) 14.285 16.477 ( -5.915 -0.000 -4.806) 7.621 16.598 ( -1.151 -0.000 -7.027) 7.121 17.244 ( 9.501 0.000 -2.247) 9.763 17.802 ( -9.486 -0.000 -0.627) 9.506 19.180 ( 20.636 0.000 5.481) 21.352 20.073 ( 6.310 0.000 -13.989) 15.346 20.576 ( -2.938 -0.000 6.483) 7.118 21.191 ( -11.932 -0.000 2.573) 12.206 21.827 ( 31.223 0.000 -11.878) 33.406 22.274 ( 2.428 0.000 18.043) 18.205 ======================= Grid point 278 (146/201) ======================= q-point: ( 0.38 0.25 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 1.277 -0.100 -1.532) 1.997 2.542 ( -3.376 1.138 -0.311) 3.576 2.710 ( -6.811 0.425 2.361) 7.221 2.916 ( -0.087 0.077 -2.761) 2.763 2.994 ( 5.907 0.212 -5.386) 7.997 3.170 ( 6.863 4.158 -4.292) 9.100 3.617 ( -0.600 7.608 1.452) 7.769 3.792 ( 6.177 5.839 -9.926) 13.068 4.694 ( 0.105 -8.495 -4.328) 9.535 4.875 ( -8.115 2.505 19.823) 21.566 5.222 ( -1.212 -2.216 -0.967) 2.704 5.790 ( -0.245 -2.346 6.398) 6.819 6.172 ( -2.669 -1.036 18.292) 18.515 6.356 ( 1.732 -7.451 12.316) 14.498 6.824 ( -12.589 -0.477 12.142) 17.497 6.962 ( -11.699 -1.655 19.144) 22.497 7.295 ( 6.330 7.395 -3.576) 10.371 7.450 ( 3.310 3.968 -1.110) 5.285 7.680 ( 4.171 1.943 -3.267) 5.643 7.799 ( 7.521 -4.599 -10.029) 13.353 8.004 ( 0.760 10.476 -8.906) 13.771 8.419 ( -4.840 3.711 2.250) 6.501 8.848 ( -2.598 18.121 -9.479) 20.614 9.160 ( -1.328 -8.347 -2.795) 8.902 9.436 ( -4.110 -13.213 -6.987) 15.501 10.100 ( -3.723 19.363 -5.942) 20.594 10.185 ( -3.493 2.265 -0.092) 4.164 10.692 ( -4.046 -14.087 -0.336) 14.660 10.935 ( -4.601 -23.095 -2.346) 23.665 11.362 ( 6.177 3.238 -16.910) 18.292 11.722 ( 3.570 1.917 2.185) 4.604 11.887 ( 4.315 -1.316 1.030) 4.628 12.622 ( -1.539 -3.445 -1.540) 4.075 13.142 ( 2.801 3.019 -2.995) 5.092 13.163 ( -11.094 8.310 6.081) 15.137 13.414 ( 0.740 8.176 8.654) 11.928 13.554 ( -2.304 -1.029 -4.072) 4.791 13.861 ( 2.768 -8.927 2.423) 9.656 13.958 ( 8.098 -3.422 5.294) 10.262 14.462 ( -9.202 -0.135 1.715) 9.362 14.846 ( -7.803 -2.318 -8.080) 11.469 14.887 ( -2.706 -4.257 3.093) 5.917 15.386 ( -20.970 2.598 24.760) 32.551 15.664 ( 10.548 -0.968 -9.232) 14.051 16.387 ( -2.358 3.763 -1.869) 4.818 16.536 ( -3.679 -0.720 -8.736) 9.506 17.303 ( 5.680 1.967 -1.719) 6.252 17.709 ( -8.640 -1.997 -0.566) 8.886 19.427 ( 20.264 2.829 3.952) 20.839 20.073 ( 4.920 -0.212 -9.754) 10.926 20.584 ( -3.313 -1.095 6.134) 7.057 21.079 ( -9.521 0.258 2.182) 9.771 22.093 ( 29.100 5.030 -9.254) 30.948 22.424 ( 0.333 -5.479 14.167) 15.193 ======================= Grid point 279 (147/201) ======================= q-point: (-0.50 0.25 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 0.906 -0.204 -0.878) 1.278 2.453 ( -5.566 1.903 -2.061) 6.233 2.655 ( -4.875 -0.939 2.873) 5.736 2.902 ( -0.488 -0.206 0.017) 0.530 3.023 ( 4.603 1.748 -4.428) 6.622 3.112 ( 1.788 7.432 -2.474) 8.034 3.513 ( 4.150 7.619 -1.769) 8.854 3.701 ( 3.960 8.037 -7.137) 11.455 4.800 ( -5.391 -5.355 8.734) 11.577 4.899 ( 2.185 -3.367 6.463) 7.608 5.231 ( -3.913 -5.009 -2.870) 6.975 5.822 ( -0.091 1.773 2.363) 2.956 6.280 ( -5.285 -4.918 20.958) 22.167 6.563 ( -0.451 -8.505 11.977) 14.696 6.738 ( -9.096 3.524 14.698) 17.640 6.975 ( -8.850 -5.745 9.191) 13.993 7.260 ( 5.095 5.487 0.892) 7.541 7.404 ( 4.268 7.442 3.155) 9.141 7.609 ( 2.269 11.685 -1.282) 11.972 7.715 ( -5.799 14.484 -6.778) 17.011 7.929 ( 11.473 -3.753 -14.239) 18.668 8.268 ( -8.591 7.669 -2.896) 11.874 8.684 ( 2.627 -2.948 -1.607) 4.263 9.243 ( 1.029 -3.333 -4.107) 5.388 9.485 ( -4.182 -5.796 -7.424) 10.306 9.795 ( 0.479 10.953 -12.030) 16.276 10.184 ( 0.294 -5.208 -0.096) 5.217 10.844 ( -7.252 -15.122 -3.850) 17.207 11.175 ( -6.115 -19.379 -1.980) 20.418 11.331 ( 6.279 1.225 -11.573) 13.224 11.700 ( 4.192 5.843 1.814) 7.416 11.958 ( 1.755 -2.233 -0.703) 2.926 12.687 ( 1.811 -4.640 -0.701) 5.030 12.934 ( -9.492 8.763 6.461) 14.444 13.114 ( 2.184 2.469 -3.782) 5.016 13.347 ( 3.202 7.621 3.523) 8.986 13.545 ( -0.901 -3.630 -4.466) 5.825 14.013 ( 2.048 -4.691 3.048) 5.958 14.120 ( 7.245 0.679 10.680) 12.924 14.373 ( -11.198 -3.616 1.213) 11.830 14.749 ( -5.155 -5.028 -11.473) 13.545 15.021 ( -3.514 -8.467 14.873) 17.471 15.274 ( -11.118 0.013 15.168) 18.806 15.761 ( 10.691 -0.747 -6.660) 12.618 16.274 ( -2.437 6.362 -1.371) 6.949 16.444 ( -5.148 -0.321 -8.406) 9.862 17.309 ( 3.604 3.246 -1.422) 5.054 17.641 ( -7.979 -2.424 -1.953) 8.565 19.608 ( 17.654 4.796 2.650) 18.485 20.074 ( 1.631 1.061 -4.756) 5.138 20.585 ( -4.660 -0.640 5.713) 7.400 20.997 ( -5.234 -0.560 0.484) 5.286 22.232 ( 16.584 8.732 -0.623) 18.753 22.567 ( 3.342 -4.107 1.804) 5.594 ======================= Grid point 280 (148/201) ======================= q-point: (-0.38 0.25 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -8.134 2.555 1.283) 8.622 2.423 ( -0.224 1.162 2.276) 2.566 2.651 ( -3.314 -1.227 3.620) 5.059 2.905 ( -2.874 -1.053 2.361) 3.866 2.983 ( 2.966 6.422 0.239) 7.078 3.038 ( 4.701 3.282 -6.186) 8.434 3.483 ( 7.622 3.784 -5.702) 10.244 3.590 ( 1.140 4.691 -6.334) 7.964 4.829 ( -4.968 1.271 16.305) 17.093 5.041 ( 3.443 -5.424 0.424) 6.439 5.276 ( -4.205 -11.552 -3.674) 12.830 5.758 ( -0.512 7.037 -0.562) 7.078 6.400 ( -8.577 -6.189 22.031) 24.439 6.571 ( -5.786 7.937 12.860) 16.182 6.823 ( -1.297 -7.491 16.329) 18.012 6.993 ( -8.069 -6.063 2.405) 10.375 7.208 ( -7.431 12.174 14.729) 20.503 7.359 ( 1.939 16.337 -1.526) 16.522 7.434 ( 5.325 -0.093 -0.696) 5.371 7.472 ( 1.290 4.915 -6.602) 8.331 8.017 ( 10.543 4.970 -16.981) 20.596 8.090 ( -1.818 -5.076 -9.671) 11.072 8.865 ( 1.773 -13.144 5.191) 14.242 9.159 ( -2.214 10.438 -0.474) 10.681 9.508 ( 2.218 -2.363 -7.039) 7.749 9.671 ( 3.444 -3.217 -19.009) 19.585 10.321 ( 2.445 -10.423 -1.038) 10.756 10.917 ( -5.997 -11.054 -9.202) 15.583 11.239 ( -3.698 4.150 -2.585) 6.130 11.397 ( -1.191 -13.980 -0.822) 14.054 11.746 ( 9.548 -1.559 -3.410) 10.258 11.944 ( -1.700 5.503 1.894) 6.063 12.742 ( 3.046 3.614 2.177) 5.204 12.817 ( -5.381 -1.686 6.792) 8.828 13.064 ( -1.220 2.652 -3.419) 4.495 13.325 ( 4.868 2.658 -1.625) 5.779 13.601 ( -0.316 -7.650 -3.243) 8.315 14.051 ( -0.280 1.941 -0.467) 2.016 14.213 ( 7.457 6.461 13.134) 16.427 14.325 ( -12.661 -6.220 5.152) 15.018 14.783 ( -0.032 -8.699 -1.034) 8.760 15.120 ( -13.616 -7.938 9.131) 18.215 15.361 ( 8.848 -5.130 6.413) 12.072 15.832 ( 6.357 1.616 -4.816) 8.138 16.171 ( 1.304 3.432 -1.325) 3.903 16.339 ( -6.268 -0.214 -6.735) 9.202 17.283 ( 2.740 3.841 -1.376) 4.914 17.567 ( -7.440 -1.903 -3.481) 8.431 19.732 ( 14.797 5.254 1.428) 15.767 19.982 ( -6.773 6.546 -1.289) 9.506 20.568 ( -3.927 -0.435 6.016) 7.198 20.990 ( 1.557 -2.249 -3.288) 4.278 22.220 ( 1.440 8.898 5.846) 10.743 22.616 ( 6.163 2.982 -8.380) 10.821 ======================= Grid point 281 (149/201) ======================= q-point: (-0.25 0.25 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -9.647 2.607 9.228) 13.602 2.419 ( -1.392 1.447 6.691) 6.986 2.628 ( -4.075 0.581 3.804) 5.605 2.855 ( -3.958 3.117 4.665) 6.866 2.984 ( 5.858 3.966 -0.210) 7.078 3.034 ( 5.603 -1.208 -10.039) 11.560 3.472 ( 4.782 2.842 -5.484) 7.811 3.590 ( 4.343 -5.845 -9.818) 12.224 4.824 ( -5.479 2.474 14.019) 15.253 5.123 ( 0.294 -1.761 5.903) 6.167 5.429 ( -1.247 -14.539 -4.076) 15.150 5.602 ( -0.330 12.160 -2.796) 12.482 6.427 ( -5.124 11.221 14.243) 18.842 6.525 ( -9.230 -7.245 21.205) 24.235 6.859 ( -6.085 15.811 11.653) 20.562 6.899 ( -3.669 9.752 15.603) 18.762 7.152 ( -8.540 -20.444 5.102) 22.736 7.242 ( -4.754 0.848 -3.078) 5.727 7.396 ( 0.796 0.666 3.405) 3.559 7.609 ( 10.246 -5.234 -4.477) 12.346 7.912 ( 3.958 3.514 -13.177) 14.200 8.212 ( 8.846 -8.422 -12.644) 17.580 8.912 ( -2.809 12.692 0.393) 13.005 9.152 ( 3.603 -10.926 4.085) 12.209 9.467 ( 2.231 -0.093 -13.650) 13.831 9.754 ( 7.283 -9.081 -17.291) 20.845 10.494 ( -1.179 -10.997 -1.086) 11.114 10.923 ( -3.562 -2.350 -6.525) 7.797 11.148 ( 0.716 0.055 -0.763) 1.048 11.565 ( -0.431 -6.664 2.139) 7.012 11.783 ( -4.154 10.903 5.501) 12.900 11.876 ( 8.987 -1.890 -6.852) 11.458 12.731 ( 0.636 2.948 7.263) 7.865 12.860 ( -1.270 -2.689 4.394) 5.306 12.991 ( -3.086 -0.914 -5.675) 6.525 13.340 ( 3.611 0.722 -3.540) 5.108 13.699 ( -3.027 -7.982 -0.097) 8.537 13.969 ( -3.900 2.736 -4.684) 6.681 14.268 ( 9.190 5.988 7.950) 13.547 14.336 ( -7.098 -3.547 14.916) 16.895 14.957 ( 2.395 -10.028 2.472) 10.603 15.057 ( -13.538 -1.293 3.538) 14.052 15.546 ( 2.326 -1.650 2.309) 3.669 15.877 ( 12.845 -2.422 -6.305) 14.513 16.198 ( -3.794 -6.033 -1.628) 7.311 16.262 ( 3.563 1.099 -2.873) 4.707 17.248 ( -1.677 2.133 0.210) 2.722 17.509 ( -0.348 -1.527 -5.551) 5.768 19.708 ( -15.390 11.880 1.245) 19.482 19.823 ( 12.701 4.658 -0.335) 13.533 20.578 ( -1.670 -0.233 6.186) 6.411 21.051 ( 7.648 -2.592 -7.657) 11.129 22.077 ( -11.738 6.936 7.623) 15.620 22.535 ( 7.565 11.095 -11.170) 17.467 ======================= Grid point 282 (150/201) ======================= q-point: (-0.12 0.25 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.171 ( -6.631 -0.550 15.904) 17.240 2.423 ( -2.375 1.482 11.662) 11.993 2.625 ( -1.281 -3.845 1.575) 4.348 2.812 ( -1.865 0.560 2.700) 3.329 2.956 ( 6.460 7.094 -3.129) 10.092 3.078 ( 2.598 -3.451 -8.298) 9.355 3.484 ( 3.761 -1.471 -5.072) 6.484 3.688 ( 3.892 -7.655 -12.175) 14.899 4.796 ( -5.949 1.224 12.566) 13.957 5.174 ( -2.891 -0.355 9.869) 10.290 5.372 ( -0.031 14.725 -5.621) 15.761 5.589 ( -0.144 -9.777 -1.818) 9.946 6.264 ( -4.940 12.519 14.190) 19.558 6.485 ( -7.799 15.504 21.222) 27.415 6.807 ( -5.594 -13.952 10.130) 18.126 6.883 ( -1.601 3.231 16.306) 16.700 7.123 ( -4.161 2.234 -0.926) 4.813 7.356 ( -3.561 -6.496 -1.744) 7.610 7.478 ( -4.548 -11.952 8.598) 15.410 7.755 ( 7.251 -4.979 -7.667) 11.668 7.897 ( 4.231 -3.633 -10.722) 12.085 8.364 ( 3.015 -6.468 -2.434) 7.540 8.717 ( 2.929 7.307 -7.608) 10.948 9.258 ( 8.490 5.360 -6.457) 11.937 9.563 ( -3.145 -19.163 -3.058) 19.658 9.859 ( 8.374 -6.452 -19.528) 22.206 10.509 ( -10.305 -0.338 -2.225) 10.548 10.932 ( 6.841 -0.795 1.220) 6.995 11.249 ( 2.945 -8.247 0.937) 8.807 11.426 ( -5.232 19.196 6.846) 21.041 11.748 ( 2.429 0.311 2.560) 3.543 11.897 ( 4.702 4.611 -11.167) 12.964 12.754 ( -0.130 -0.997 7.180) 7.250 12.867 ( -6.314 -2.341 1.736) 6.954 13.014 ( 0.774 -6.582 -1.871) 6.887 13.344 ( 2.037 0.263 -4.063) 4.553 13.720 ( -6.938 -2.040 1.730) 7.436 13.876 ( -1.981 1.967 -1.234) 3.052 14.305 ( -3.484 1.506 3.330) 5.049 14.427 ( 8.635 1.328 10.876) 13.951 14.865 ( -13.677 2.781 4.099) 14.546 15.180 ( 0.637 -8.591 13.433) 15.958 15.496 ( -5.354 1.574 -5.012) 7.501 15.966 ( 0.004 0.267 -11.952) 11.955 16.329 ( 7.586 -9.340 -3.665) 12.578 16.388 ( 13.590 -7.859 0.839) 15.721 17.145 ( -11.193 2.102 0.508) 11.400 17.599 ( 13.791 -4.045 -5.587) 15.419 19.325 ( -18.270 13.807 3.866) 23.224 19.902 ( 11.710 2.240 -3.456) 12.414 20.590 ( -1.344 0.786 5.820) 6.024 21.159 ( 13.426 -2.123 -10.575) 17.222 21.842 ( -20.203 4.131 5.608) 21.370 22.373 ( 8.438 16.404 -5.421) 19.227 ======================= Grid point 286 (151/201) ======================= q-point: (-0.62 -0.62 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 1.725 0.000 -4.658) 4.967 2.478 ( -6.056 -0.000 -4.560) 7.581 2.635 ( -8.957 -0.000 4.511) 10.029 2.883 ( -1.343 -0.000 -3.142) 3.417 3.050 ( 7.688 0.000 -5.699) 9.570 3.256 ( 4.792 0.000 -4.311) 6.446 3.678 ( -0.703 -0.000 2.149) 2.261 3.863 ( 6.736 0.000 -9.679) 11.792 4.623 ( 1.919 0.000 -3.654) 4.127 4.901 ( -8.552 -0.000 21.013) 22.687 5.180 ( -1.207 -0.000 -5.186) 5.324 5.782 ( -3.382 -0.000 8.424) 9.078 6.277 ( 1.753 0.000 16.926) 17.016 6.377 ( 1.236 0.000 13.090) 13.148 6.733 ( -11.040 -0.000 10.112) 14.971 6.921 ( -14.525 -0.000 24.069) 28.113 7.419 ( 7.542 0.000 -4.783) 8.930 7.516 ( 3.940 0.000 0.790) 4.018 7.719 ( 6.478 0.000 -5.786) 8.686 7.788 ( 3.514 0.000 -7.348) 8.145 8.050 ( -0.432 -0.000 -8.840) 8.851 8.419 ( -1.577 -0.000 0.026) 1.577 8.975 ( 0.405 0.000 -21.337) 21.341 9.026 ( -3.232 -0.000 -5.358) 6.257 9.182 ( -7.825 -0.000 7.734) 11.002 10.150 ( -5.180 -0.000 0.839) 5.247 10.244 ( -5.694 -0.000 -2.345) 6.158 10.425 ( -4.955 -0.000 -16.954) 17.664 10.736 ( -0.700 -0.000 9.291) 9.318 11.366 ( 7.898 0.000 -20.031) 21.532 11.775 ( 3.478 0.000 0.307) 3.491 11.929 ( -0.049 -0.000 3.701) 3.701 12.576 ( 2.444 0.000 -5.185) 5.732 13.108 ( -15.300 -0.000 10.770) 18.710 13.138 ( 1.555 0.000 -10.517) 10.631 13.550 ( 3.627 0.000 1.526) 3.934 13.592 ( -0.012 -0.000 12.814) 12.814 13.807 ( 2.185 0.000 0.702) 2.295 14.040 ( 6.719 0.000 3.842) 7.740 14.333 ( -11.791 -0.000 -2.592) 12.072 14.712 ( 5.275 0.000 -22.286) 22.902 14.871 ( -6.133 -0.000 17.831) 18.856 15.277 ( -21.591 -0.000 23.191) 31.686 15.744 ( 11.321 0.000 -7.403) 13.526 16.381 ( -3.404 -0.000 0.419) 3.430 16.457 ( -2.104 -0.000 -7.160) 7.463 17.352 ( 2.470 0.000 -1.234) 2.761 17.600 ( -7.413 -0.000 -0.348) 7.422 19.695 ( 17.734 0.000 3.299) 18.038 20.076 ( 4.526 0.000 -8.515) 9.643 20.574 ( -2.747 -0.000 6.026) 6.622 20.993 ( -7.200 -0.000 0.984) 7.267 22.429 ( -6.623 -0.000 17.425) 18.641 22.446 ( 31.647 0.000 -11.391) 33.634 ======================= Grid point 287 (152/201) ======================= q-point: (-0.50 -0.62 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -7.830 0.184 -3.863) 8.733 2.419 ( 2.143 -1.742 -4.849) 5.580 2.573 ( -7.221 -1.553 5.207) 9.037 2.855 ( -3.107 -1.241 -1.378) 3.618 3.089 ( 6.551 2.140 -6.054) 9.173 3.228 ( 0.949 4.964 -2.476) 5.628 3.643 ( 1.427 5.138 0.281) 5.340 3.836 ( 5.348 6.796 -7.681) 11.567 4.679 ( 1.072 -6.222 -1.414) 6.470 4.928 ( -5.396 -2.308 13.537) 14.754 5.135 ( -2.355 -0.114 -2.039) 3.117 5.797 ( -5.059 -2.306 5.726) 7.981 6.354 ( 0.897 2.777 17.652) 17.892 6.510 ( -2.794 -5.303 13.630) 14.890 6.709 ( -7.662 -3.289 12.830) 15.301 6.888 ( -10.853 -1.012 18.786) 21.719 7.413 ( 6.764 6.391 -5.498) 10.809 7.551 ( 1.485 3.223 5.092) 6.207 7.699 ( -0.889 5.787 -6.096) 8.452 7.834 ( 6.531 0.029 -6.521) 9.229 7.917 ( 0.129 4.419 -8.415) 9.506 8.333 ( -1.411 11.504 -2.133) 11.785 8.722 ( 0.331 7.604 -9.512) 12.182 9.109 ( 1.516 -14.823 -8.135) 16.976 9.262 ( -4.540 -8.286 -0.792) 9.482 9.938 ( -2.768 16.573 -8.972) 19.048 10.131 ( -1.133 -1.895 2.295) 3.185 10.485 ( -6.663 -16.928 -11.614) 21.583 10.888 ( -1.676 -12.878 6.888) 14.700 11.346 ( 7.830 0.945 -18.296) 19.924 11.786 ( 0.677 1.732 -1.343) 2.294 11.938 ( -1.678 -1.655 2.644) 3.542 12.628 ( 4.896 -4.278 -5.154) 8.296 12.977 ( -7.903 4.874 9.787) 13.491 13.110 ( -1.012 -1.926 -6.731) 7.074 13.527 ( -2.016 7.817 5.232) 9.620 13.556 ( 4.669 8.384 2.202) 9.846 13.946 ( 0.128 -10.476 5.379) 11.777 14.152 ( -7.747 -5.214 -1.150) 9.408 14.227 ( 1.888 -4.315 0.562) 4.743 14.675 ( 7.168 4.084 -9.859) 12.855 14.925 ( -9.427 -4.954 13.536) 17.223 15.211 ( -8.912 -3.899 16.567) 19.211 15.830 ( 9.190 -0.503 -7.603) 11.938 16.307 ( -5.603 3.204 1.351) 6.594 16.399 ( 1.114 2.586 -5.212) 5.924 17.362 ( 1.403 0.927 -0.326) 1.713 17.518 ( -7.302 -0.816 -1.397) 7.479 19.865 ( 12.989 3.067 2.534) 13.585 20.075 ( 0.929 0.574 -4.934) 5.054 20.579 ( -1.437 0.562 5.681) 5.887 20.935 ( -3.005 -1.134 -1.062) 3.383 22.390 ( -10.523 2.826 14.299) 17.977 22.720 ( 26.714 2.732 -10.619) 28.877 ======================= Grid point 288 (153/201) ======================= q-point: (-0.38 -0.62 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -9.537 -0.138 -1.098) 9.601 2.441 ( 1.677 -0.274 -2.149) 2.740 2.579 ( -4.990 -3.957 5.995) 8.746 2.839 ( -4.012 -2.702 1.633) 5.106 3.067 ( 2.614 4.255 -4.812) 6.935 3.155 ( 3.393 4.574 -2.486) 6.214 3.587 ( 3.132 4.613 -3.102) 6.381 3.713 ( 3.587 11.201 -6.109) 13.253 4.768 ( -5.175 -5.647 5.273) 9.299 5.003 ( -1.535 -10.216 -2.232) 10.569 5.134 ( 0.010 0.407 8.439) 8.449 5.777 ( -4.723 -0.123 1.548) 4.972 6.416 ( -2.812 1.394 18.528) 18.791 6.588 ( -7.210 -4.825 12.815) 15.476 6.733 ( -11.897 -2.226 21.852) 24.980 6.935 ( -0.756 -2.658 7.850) 8.322 7.344 ( -0.033 7.154 -2.380) 7.540 7.461 ( -4.767 12.161 -6.196) 14.457 7.525 ( 0.707 5.060 3.583) 6.240 7.736 ( 9.219 14.181 -4.725) 17.562 7.950 ( -5.419 -2.616 -0.982) 6.097 8.116 ( 10.014 6.955 -17.279) 21.147 8.745 ( 2.187 -8.666 0.376) 8.945 9.246 ( -5.528 0.663 -1.979) 5.908 9.353 ( 9.056 -13.149 -6.097) 17.090 9.674 ( 1.110 9.780 -12.938) 16.256 10.205 ( -0.202 -6.486 1.355) 6.630 10.599 ( -3.951 -15.591 -10.138) 19.012 11.089 ( -2.214 -13.306 1.177) 13.540 11.308 ( 2.191 1.347 -8.787) 9.155 11.784 ( 4.366 -2.023 -5.653) 7.424 11.955 ( -3.077 -1.225 2.126) 3.935 12.729 ( 3.866 -5.157 -3.430) 7.301 12.906 ( -1.667 6.283 13.396) 14.889 13.082 ( -0.896 1.822 -3.695) 4.216 13.415 ( -0.436 5.093 -0.771) 5.170 13.515 ( -0.032 1.339 1.168) 1.777 14.036 ( -4.799 1.254 -8.446) 9.794 14.120 ( -4.642 -9.753 9.515) 14.395 14.430 ( 5.567 -6.082 11.547) 14.189 14.664 ( 4.742 -0.002 -5.639) 7.368 14.911 ( -13.977 -5.185 9.925) 17.909 15.374 ( 5.154 -8.725 7.412) 12.555 15.877 ( 6.761 0.282 -9.099) 11.340 16.183 ( -8.372 3.397 1.875) 9.227 16.365 ( 6.779 4.792 -2.418) 8.646 17.341 ( -1.803 3.047 0.370) 3.560 17.452 ( -3.624 -2.086 -2.566) 4.906 19.947 ( 7.612 3.924 1.316) 8.665 19.981 ( -6.756 5.384 -1.488) 8.766 20.593 ( 1.250 1.364 6.117) 6.391 20.960 ( 4.048 -3.370 -4.597) 6.991 22.246 ( -17.144 4.568 11.478) 21.131 22.856 ( 21.941 9.308 -11.049) 26.270 ======================= Grid point 289 (154/201) ======================= q-point: (-0.25 -0.62 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -9.503 -1.267 4.555) 10.614 2.447 ( -0.643 0.083 2.913) 2.984 2.596 ( -4.055 -0.620 5.149) 6.584 2.846 ( -5.539 -1.346 5.352) 7.819 3.008 ( 2.235 2.159 -4.199) 5.224 3.153 ( 8.023 2.876 -6.800) 10.903 3.528 ( 0.346 4.320 -8.062) 9.153 3.591 ( 5.888 5.074 -4.451) 8.957 4.765 ( -11.046 -3.177 7.672) 13.819 5.173 ( -1.516 -13.067 0.494) 13.164 5.199 ( 3.894 -1.093 7.303) 8.349 5.711 ( -1.115 4.376 -2.370) 5.100 6.442 ( -8.300 -0.774 19.809) 21.491 6.606 ( -4.945 4.821 14.015) 15.624 6.780 ( -14.623 -11.236 16.923) 25.029 6.993 ( -2.508 -1.991 12.673) 13.071 7.121 ( -6.749 14.217 0.711) 15.753 7.233 ( -4.493 9.579 2.573) 10.888 7.482 ( 5.055 6.366 -7.836) 11.291 7.677 ( 7.498 3.257 0.634) 8.199 7.882 ( 1.412 -0.757 -12.172) 12.277 8.174 ( 12.232 -3.554 -16.311) 20.696 8.948 ( -0.433 -12.103 6.335) 13.668 9.112 ( -2.728 7.989 0.467) 8.455 9.514 ( 4.267 6.853 -11.216) 13.819 9.613 ( 11.880 -10.651 -14.674) 21.677 10.301 ( -5.358 -9.438 1.562) 10.965 10.751 ( 3.434 -12.406 -8.366) 15.353 11.139 ( -0.774 0.416 -5.980) 6.044 11.400 ( -1.022 -14.128 5.890) 15.341 11.866 ( 3.764 -1.968 -6.073) 7.411 11.899 ( -1.907 2.752 -1.154) 3.542 12.825 ( 3.167 -4.070 -2.431) 5.701 12.882 ( -1.496 6.575 18.129) 19.342 12.980 ( 0.250 6.254 -6.707) 9.174 13.361 ( 0.580 2.002 -4.013) 4.522 13.546 ( -4.984 -6.923 4.002) 9.423 13.920 ( -2.635 1.562 -7.935) 8.506 14.242 ( -2.768 -5.461 9.384) 11.205 14.581 ( 8.277 6.920 15.100) 18.558 14.744 ( -6.656 -12.663 -4.888) 15.118 14.908 ( -5.206 -6.620 6.068) 10.380 15.531 ( -0.630 -2.075 0.316) 2.192 15.951 ( 11.241 -2.191 -8.294) 14.140 16.062 ( -5.706 -2.056 0.910) 6.133 16.388 ( 9.125 4.163 -1.320) 10.116 17.231 ( -7.746 3.447 0.681) 8.506 17.495 ( 6.407 -3.152 -2.508) 7.568 19.712 ( -14.306 11.307 -0.046) 18.235 19.992 ( 5.646 2.914 1.265) 6.478 20.628 ( 2.244 1.877 6.233) 6.885 21.067 ( 10.681 -4.070 -8.222) 14.080 21.992 ( -22.129 5.696 8.401) 24.346 22.842 ( 16.217 14.793 -9.429) 23.890 ======================= Grid point 290 (155/201) ======================= q-point: (-0.12 -0.62 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -5.527 -4.333 11.880) 13.801 2.465 ( -1.073 -1.066 5.548) 5.750 2.565 ( -4.201 1.016 4.718) 6.398 2.813 ( -3.215 0.257 3.887) 5.051 3.008 ( 0.330 -1.136 -3.654) 3.841 3.140 ( 8.896 6.213 -9.117) 14.172 3.455 ( 0.793 -0.951 -9.589) 9.669 3.607 ( 4.398 -1.445 -6.611) 8.070 4.727 ( -11.578 -3.649 10.944) 16.344 5.229 ( -1.350 2.212 8.329) 8.723 5.388 ( 1.065 -10.959 -1.387) 11.098 5.592 ( 3.177 9.750 -3.826) 10.945 6.462 ( -6.722 8.404 15.960) 19.249 6.536 ( -8.476 -6.112 17.220) 20.142 6.768 ( -11.178 10.747 15.462) 21.898 6.972 ( -3.572 -9.539 0.327) 10.192 7.064 ( -1.119 5.725 13.342) 14.561 7.174 ( -7.193 -10.285 12.425) 17.660 7.384 ( 0.195 5.168 -5.709) 7.703 7.744 ( 6.169 -2.417 -8.688) 10.926 7.873 ( 6.657 -0.871 -15.341) 16.746 8.285 ( 7.660 -6.025 -11.945) 15.416 8.885 ( -0.720 13.790 2.948) 14.120 9.231 ( -2.856 -18.290 2.593) 18.693 9.415 ( 6.453 6.694 -9.198) 13.079 9.775 ( 11.492 -5.136 -19.907) 23.553 10.354 ( -6.950 -5.282 1.464) 8.852 10.935 ( 8.170 -7.849 -5.514) 12.600 11.149 ( -1.422 -6.798 3.188) 7.642 11.608 ( -0.446 0.786 4.809) 4.894 11.738 ( -3.759 0.619 5.310) 6.536 11.923 ( 4.730 0.137 -14.701) 15.444 12.803 ( -6.479 3.565 2.419) 7.781 12.872 ( 3.930 5.307 3.397) 7.427 12.960 ( 3.892 -2.923 1.891) 5.222 13.308 ( -2.540 0.282 -4.729) 5.375 13.599 ( -6.146 -5.260 3.648) 8.874 13.872 ( 1.148 -0.147 -1.996) 2.307 14.301 ( -1.810 0.179 3.446) 3.897 14.599 ( -3.092 1.134 0.715) 3.370 14.761 ( -3.532 0.424 14.622) 15.048 15.073 ( -1.734 -11.802 7.737) 14.218 15.462 ( -3.467 3.944 -3.078) 6.087 15.880 ( -7.760 1.097 -3.933) 8.768 16.303 ( 15.657 -9.405 -11.339) 21.498 16.434 ( 7.693 -1.974 -0.723) 7.975 17.095 ( -6.206 4.111 1.579) 7.609 17.658 ( 11.926 -5.598 -2.624) 13.433 19.357 ( -14.310 13.356 2.584) 19.744 20.016 ( 4.299 1.739 -0.369) 4.651 20.645 ( 1.013 2.788 5.475) 6.227 21.234 ( 16.283 -4.114 -10.164) 19.631 21.682 ( -22.923 5.115 5.767) 24.184 22.719 ( 10.666 17.157 -4.796) 20.763 ======================= Grid point 295 (156/201) ======================= q-point: (-0.50 -0.50 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -9.665 -0.000 -2.981) 10.114 2.388 ( -1.613 -0.000 -0.709) 1.762 2.534 ( -1.232 -0.000 2.589) 2.867 2.800 ( -3.908 -0.000 0.007) 3.908 3.146 ( 5.682 0.000 -7.217) 9.186 3.231 ( -3.762 -0.000 -1.982) 4.252 3.689 ( 0.559 0.000 -1.035) 1.177 3.907 ( 4.627 0.000 -7.077) 8.455 4.651 ( 2.766 0.000 -1.287) 3.051 4.851 ( -8.125 -0.000 -1.702) 8.301 5.149 ( -0.812 -0.000 11.583) 11.612 5.742 ( -6.987 -0.000 6.889) 9.812 6.497 ( -0.519 -0.000 15.503) 15.512 6.501 ( -6.587 -0.000 17.133) 18.356 6.658 ( -3.649 -0.000 10.079) 10.719 6.878 ( -8.419 -0.000 21.291) 22.895 7.506 ( 3.763 0.000 -8.494) 9.290 7.568 ( -2.098 -0.000 -0.202) 2.108 7.745 ( 0.975 0.000 -3.255) 3.398 7.760 ( -3.900 -0.000 0.705) 3.963 8.008 ( 10.736 0.000 -8.881) 13.933 8.465 ( 3.974 0.000 -4.663) 6.127 8.732 ( -1.140 -0.000 -13.930) 13.977 8.833 ( -4.524 -0.000 -11.813) 12.649 9.233 ( 4.130 0.000 9.265) 10.144 10.094 ( -5.214 -0.000 -0.390) 5.228 10.105 ( -5.166 -0.000 -17.970) 18.698 10.134 ( 3.999 0.000 1.483) 4.265 10.841 ( 1.156 0.000 7.252) 7.344 11.343 ( 9.042 0.000 -21.568) 23.387 11.780 ( -1.727 -0.000 -1.332) 2.181 11.886 ( -6.996 -0.000 3.868) 7.994 12.649 ( 8.840 0.000 -6.092) 10.736 13.001 ( 0.111 0.000 -16.194) 16.195 13.016 ( -6.322 -0.000 19.747) 20.734 13.627 ( -2.235 -0.000 9.591) 9.848 13.768 ( 4.667 0.000 7.122) 8.515 13.772 ( -8.288 -0.000 1.490) 8.421 14.016 ( -0.218 -0.000 -10.161) 10.163 14.187 ( 0.237 0.000 -1.877) 1.892 14.799 ( -16.311 -0.000 12.459) 20.525 14.841 ( 14.729 0.000 -3.305) 15.095 15.187 ( -2.578 -0.000 16.187) 16.391 15.877 ( 7.567 0.000 -9.427) 12.088 16.248 ( -9.530 -0.000 1.916) 9.721 16.454 ( 7.213 0.000 -2.882) 7.767 17.380 ( 0.869 0.000 1.046) 1.360 17.423 ( -7.495 -0.000 -1.003) 7.561 20.008 ( 5.398 0.000 2.340) 5.883 20.053 ( -2.325 -0.000 -3.770) 4.430 20.627 ( 3.353 0.000 5.340) 6.305 20.896 ( 0.536 0.000 -2.486) 2.543 22.320 ( -17.129 -0.000 12.971) 21.486 23.005 ( 26.031 0.000 -10.874) 28.211 ======================= Grid point 296 (157/201) ======================= q-point: (-0.38 -0.50 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -10.593 -0.602 0.235) 10.613 2.395 ( -4.062 -4.130 3.675) 6.860 2.556 ( 2.987 0.204 0.858) 3.114 2.768 ( -4.652 -1.569 2.941) 5.722 3.114 ( -0.928 3.544 -4.339) 5.679 3.183 ( -0.179 -0.562 -4.027) 4.070 3.654 ( 0.673 3.703 -3.675) 5.260 3.866 ( 3.523 6.934 -5.779) 9.690 4.673 ( -4.424 -0.912 -0.071) 4.517 4.805 ( -2.489 -8.664 -4.384) 10.024 5.222 ( 0.496 0.407 15.308) 15.321 5.705 ( -7.123 -1.649 4.984) 8.848 6.458 ( -11.702 1.397 16.585) 20.346 6.571 ( -1.626 -1.105 15.136) 15.264 6.696 ( -8.559 -0.376 17.301) 19.306 6.950 ( 0.793 -2.915 12.285) 12.650 7.399 ( -2.347 7.175 -7.547) 10.675 7.502 ( -6.283 2.692 -2.379) 7.238 7.629 ( 0.948 7.067 -3.365) 7.885 7.837 ( -0.315 -2.200 -1.011) 2.441 8.016 ( 10.845 7.915 -3.667) 13.917 8.319 ( 5.348 15.086 -9.953) 18.848 8.648 ( 0.736 -4.007 -6.845) 7.966 8.954 ( -1.861 -17.654 -10.772) 20.764 9.411 ( 10.596 -5.266 8.607) 14.631 9.793 ( 0.708 13.549 -12.004) 18.115 10.118 ( -5.839 -3.977 0.121) 7.066 10.339 ( 7.016 -13.310 -2.421) 15.240 10.937 ( 0.767 -6.760 2.300) 7.181 11.315 ( 5.906 1.778 -16.696) 17.799 11.741 ( -1.547 -0.840 -3.279) 3.722 11.869 ( -6.433 -4.988 3.866) 9.012 12.726 ( 7.840 -0.441 -5.668) 9.684 12.972 ( 3.579 -5.117 -13.426) 14.807 13.072 ( -3.609 1.081 22.041) 22.361 13.509 ( -4.454 11.453 5.272) 13.372 13.607 ( -3.855 7.677 0.394) 8.600 13.906 ( -2.177 -4.233 1.409) 4.964 14.050 ( 3.796 -5.812 -3.529) 7.787 14.272 ( -1.311 -13.313 -0.919) 13.408 14.676 ( -14.883 -1.991 7.773) 16.908 14.938 ( 11.134 7.681 5.691) 14.675 15.343 ( 3.820 -7.989 9.451) 12.951 15.910 ( 8.145 -0.292 -10.925) 13.630 16.117 ( -11.926 2.101 2.604) 12.386 16.517 ( 9.704 3.186 -2.454) 10.505 17.316 ( -7.690 1.785 -0.087) 7.895 17.417 ( 2.223 -1.782 1.569) 3.252 19.945 ( -8.794 4.334 -2.638) 10.152 20.042 ( 0.653 0.462 1.552) 1.747 20.697 ( 5.812 2.372 5.733) 8.501 20.943 ( 6.512 -3.525 -4.663) 8.751 22.133 ( -21.873 3.011 10.012) 24.243 23.174 ( 20.978 6.515 -11.338) 24.720 ======================= Grid point 297 (158/201) ======================= q-point: (-0.25 -0.50 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( -9.499 -2.432 4.786) 10.911 2.422 ( -4.334 -2.486 4.722) 6.875 2.600 ( 2.289 -0.174 2.598) 3.466 2.768 ( -5.988 -3.002 5.396) 8.601 3.034 ( -1.843 1.990 -1.774) 3.241 3.187 ( 3.390 -1.427 -6.902) 7.821 3.565 ( 0.332 5.160 -7.059) 8.750 3.747 ( 4.063 9.979 -4.856) 11.818 4.609 ( -10.181 -3.474 1.761) 10.901 4.969 ( 1.514 -13.177 1.516) 13.351 5.293 ( 0.092 1.386 12.532) 12.608 5.687 ( -3.830 -2.332 2.119) 4.960 6.420 ( -11.811 -4.132 13.818) 18.642 6.579 ( -9.748 4.674 20.101) 22.823 6.719 ( -7.448 -3.540 17.379) 19.236 7.004 ( -3.436 4.155 7.887) 9.554 7.212 ( -1.958 8.949 -4.294) 10.117 7.371 ( -2.038 5.876 -0.908) 6.286 7.524 ( 0.458 3.559 -2.969) 4.658 7.806 ( 3.444 1.734 -10.091) 10.803 7.967 ( 3.969 15.150 4.914) 16.414 8.205 ( 13.270 2.083 -18.689) 23.015 8.767 ( -0.809 -12.840 -0.322) 12.870 9.083 ( -1.556 -8.501 -6.506) 10.818 9.588 ( 4.814 9.468 -12.758) 16.600 9.675 ( 14.954 -2.402 4.102) 15.691 10.123 ( -6.345 -7.142 2.817) 9.960 10.617 ( 10.041 -11.697 -1.483) 15.487 11.055 ( 1.924 -6.938 -7.723) 10.558 11.280 ( -0.560 -2.806 0.596) 2.922 11.773 ( 1.749 -7.274 -9.503) 12.095 11.874 ( -5.047 -1.288 2.468) 5.764 12.790 ( 4.903 -2.513 -5.009) 7.446 13.026 ( 4.247 -0.404 -9.484) 10.400 13.092 ( -1.025 9.081 18.905) 20.998 13.373 ( -1.478 2.674 2.311) 3.830 13.470 ( -6.232 2.712 3.424) 7.610 13.889 ( 0.615 1.254 -4.948) 5.142 14.190 ( 1.897 -6.607 4.673) 8.312 14.432 ( -9.271 -12.845 -3.681) 16.263 14.648 ( -6.005 -8.424 8.376) 13.310 14.978 ( 9.459 7.689 8.201) 14.692 15.506 ( 1.014 -2.945 3.598) 4.759 15.948 ( -11.827 3.188 3.270) 12.678 16.013 ( 12.873 -6.294 -10.611) 17.830 16.544 ( 7.489 4.948 -4.428) 10.009 17.201 ( -6.036 2.877 1.759) 6.914 17.514 ( 6.365 -3.952 1.049) 7.565 19.700 ( -12.975 9.249 -1.761) 16.031 20.045 ( -0.776 -0.236 1.028) 1.309 20.745 ( 4.841 3.866 5.496) 8.282 21.087 ( 11.668 -5.459 -6.752) 14.545 21.844 ( -24.655 5.131 7.259) 26.209 23.175 ( 14.201 12.677 -10.951) 21.961 ======================= Grid point 298 (159/201) ======================= q-point: (-0.12 -0.50 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -4.883 -7.050 9.813) 13.032 2.427 ( -5.206 -2.007 6.568) 8.618 2.617 ( 2.226 3.251 1.415) 4.186 2.766 ( -6.091 -2.948 5.756) 8.884 2.991 ( -1.800 0.737 -1.001) 2.187 3.210 ( 3.897 -0.616 -8.726) 9.577 3.446 ( 1.751 5.333 -9.840) 11.328 3.654 ( 4.199 5.250 -5.422) 8.636 4.579 ( -9.984 -5.335 7.784) 13.738 5.199 ( 0.039 -11.635 5.528) 12.882 5.313 ( -0.594 0.780 5.652) 5.737 5.695 ( 1.482 1.205 -1.390) 2.362 6.418 ( -9.213 -0.961 13.965) 16.758 6.555 ( -13.724 -7.169 19.194) 24.661 6.713 ( -6.905 4.146 15.050) 17.070 6.928 ( -12.487 -0.492 11.127) 16.733 7.062 ( 0.578 5.217 2.618) 5.866 7.283 ( 2.351 9.569 8.256) 12.855 7.493 ( 5.555 4.844 -10.575) 12.890 7.750 ( 2.603 3.505 -10.319) 11.205 7.846 ( 2.389 2.327 -5.259) 6.228 8.257 ( 11.460 -1.284 -18.512) 21.810 8.958 ( -3.748 -15.243 2.138) 15.842 9.078 ( 0.433 6.856 1.909) 7.130 9.495 ( 7.328 3.289 -13.805) 15.972 9.800 ( 9.264 2.185 -7.089) 11.868 10.242 ( 0.229 -7.531 7.349) 10.525 10.884 ( 10.557 -9.433 -2.254) 14.336 11.067 ( -1.056 -2.467 -3.561) 4.459 11.471 ( 0.844 -17.033 6.252) 18.164 11.787 ( -4.538 4.997 0.536) 6.771 11.847 ( 1.940 -4.353 -12.994) 13.840 12.823 ( -1.740 3.305 -1.833) 4.161 12.921 ( 1.769 4.137 -1.385) 4.708 13.095 ( 3.952 4.056 4.377) 7.158 13.300 ( -1.541 5.436 -2.341) 6.116 13.490 ( -3.193 -5.066 8.408) 10.322 13.880 ( 2.528 -0.528 -0.958) 2.754 14.295 ( -0.681 -1.227 -2.492) 2.860 14.406 ( -10.065 -7.409 1.565) 12.596 14.824 ( -5.849 -10.892 15.061) 19.485 15.032 ( 8.420 3.754 5.219) 10.594 15.499 ( -0.582 4.269 1.597) 4.595 15.787 ( -10.979 1.777 2.498) 11.399 16.255 ( 13.393 -9.920 -14.660) 22.196 16.499 ( 2.645 3.408 -4.501) 6.235 17.128 ( -0.359 3.455 2.183) 4.102 17.683 ( 8.492 -5.848 -0.419) 10.319 19.398 ( -10.601 10.616 0.232) 15.004 20.043 ( -1.144 -0.612 0.384) 1.353 20.750 ( 2.291 4.934 4.401) 6.998 21.288 ( 13.008 -6.203 -6.583) 15.844 21.525 ( -20.620 4.416 3.896) 21.445 23.033 ( 7.103 15.458 -8.200) 18.885 ======================= Grid point 304 (160/201) ======================= q-point: (-0.38 -0.38 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -10.344 -0.000 5.069) 11.519 2.328 ( -7.244 -0.000 10.440) 12.707 2.618 ( 7.540 0.000 -4.474) 8.768 2.717 ( -5.935 -0.000 5.199) 7.890 3.069 ( -8.360 -0.000 0.202) 8.362 3.151 ( 2.659 0.000 -8.076) 8.503 3.665 ( -0.073 -0.000 -4.320) 4.321 3.916 ( 2.045 0.000 -5.848) 6.195 4.586 ( -8.395 -0.000 -6.042) 10.343 4.729 ( 3.088 0.000 3.425) 4.611 5.314 ( -0.163 -0.000 16.407) 16.407 5.634 ( -7.552 -0.000 5.905) 9.586 6.424 ( -17.134 -0.000 22.529) 28.305 6.565 ( -4.774 -0.000 13.077) 13.921 6.734 ( -1.287 -0.000 6.790) 6.910 7.006 ( 0.992 0.000 13.964) 13.999 7.376 ( -10.260 -0.000 -1.623) 10.388 7.422 ( -0.194 -0.000 -8.648) 8.650 7.722 ( 0.240 0.000 0.854) 0.887 7.792 ( 4.316 0.000 -4.460) 6.207 8.239 ( 10.528 0.000 -0.565) 10.543 8.350 ( -0.461 -0.000 -12.387) 12.396 8.599 ( -2.747 -0.000 -14.496) 14.754 8.793 ( 8.516 0.000 -0.438) 8.528 9.526 ( 10.565 0.000 9.207) 14.014 9.847 ( 0.189 0.000 -15.871) 15.872 10.029 ( -1.787 -0.000 5.119) 5.422 10.375 ( 13.150 0.000 4.144) 13.788 10.916 ( 1.715 0.000 -0.713) 1.858 11.298 ( 6.705 0.000 -21.386) 22.412 11.713 ( -9.774 -0.000 2.253) 10.030 11.753 ( -0.592 -0.000 4.051) 4.094 12.828 ( 10.482 0.000 -3.554) 11.068 12.853 ( 3.076 0.000 -15.117) 15.427 13.191 ( 0.354 0.000 23.034) 23.037 13.548 ( -8.051 -0.000 -1.465) 8.184 13.646 ( -5.487 -0.000 10.496) 11.844 13.930 ( 1.863 0.000 5.772) 6.065 13.984 ( 4.309 0.000 -10.165) 11.040 14.127 ( -1.898 -0.000 -3.792) 4.241 14.523 ( -12.166 -0.000 4.715) 13.047 15.199 ( 12.284 0.000 8.210) 14.775 15.351 ( 1.425 0.000 8.553) 8.671 15.939 ( 8.903 0.000 -12.520) 15.363 16.006 ( -12.890 -0.000 5.024) 13.835 16.628 ( 8.035 0.000 -5.220) 9.582 17.246 ( -6.467 -0.000 1.380) 6.613 17.450 ( 3.517 0.000 3.625) 5.051 19.855 ( -10.545 -0.000 -3.422) 11.087 20.022 ( -3.639 -0.000 0.518) 3.675 20.835 ( 7.613 0.000 6.120) 9.768 20.970 ( 8.420 0.000 -5.341) 9.971 21.929 ( -25.256 -0.000 7.462) 26.335 23.377 ( 16.275 0.000 -13.466) 21.124 ======================= Grid point 305 (161/201) ======================= q-point: (-0.25 -0.38 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( -8.245 -0.708 10.458) 13.336 2.341 ( -7.741 -4.213 11.760) 14.696 2.650 ( 0.727 0.938 2.197) 2.497 2.701 ( -1.288 -1.216 0.258) 1.790 2.986 ( -6.517 -1.124 0.317) 6.621 3.152 ( 2.413 -1.632 -6.607) 7.221 3.601 ( -0.099 4.404 -6.003) 7.446 3.872 ( 2.138 4.593 -5.240) 7.289 4.474 ( -7.293 -0.829 -0.934) 7.399 4.853 ( 2.721 -8.042 5.256) 9.985 5.379 ( -1.759 1.804 14.181) 14.403 5.609 ( -5.360 -3.193 5.412) 8.259 6.317 ( -17.021 1.041 21.164) 27.179 6.625 ( -6.003 -4.630 11.324) 13.628 6.684 ( -6.497 5.741 10.446) 13.575 7.091 ( 0.361 2.793 6.534) 7.115 7.245 ( -5.102 -0.633 0.063) 5.141 7.368 ( 0.952 3.039 -5.994) 6.788 7.601 ( -0.800 8.704 -3.143) 9.288 7.848 ( 2.404 2.615 -3.407) 4.922 8.178 ( 5.776 6.057 -1.826) 8.566 8.394 ( 9.298 7.851 -7.411) 14.248 8.560 ( 0.008 -9.404 -11.047) 14.507 8.902 ( 3.917 -6.397 -3.766) 8.393 9.694 ( 6.659 3.246 -7.750) 10.721 9.856 ( 11.221 -6.641 8.371) 15.494 10.017 ( -2.194 2.499 4.185) 5.345 10.619 ( 12.581 -6.951 3.659) 14.832 10.957 ( 3.013 -4.728 -6.212) 8.368 11.248 ( 1.138 -0.039 -11.749) 11.805 11.636 ( -4.040 -3.796 -3.794) 6.718 11.810 ( -0.965 -2.798 3.519) 4.598 12.816 ( 6.339 0.753 -8.309) 10.478 12.982 ( 7.389 -5.291 -6.183) 10.992 13.305 ( 0.830 5.722 18.232) 19.127 13.443 ( -2.873 3.008 0.544) 4.195 13.503 ( -3.846 10.526 7.534) 13.503 13.915 ( -1.172 2.913 0.399) 3.165 14.097 ( -0.961 -12.500 -4.084) 13.186 14.164 ( -1.867 -7.204 -1.533) 7.598 14.497 ( -2.813 -6.434 4.029) 8.096 15.246 ( 4.582 8.893 7.684) 12.614 15.485 ( 1.159 -5.725 6.296) 8.588 15.879 ( -10.456 3.240 7.503) 13.271 16.015 ( 11.042 -4.532 -11.685) 16.704 16.629 ( 1.967 3.079 -8.242) 9.015 17.198 ( -1.597 1.225 2.630) 3.312 17.546 ( 5.990 -2.833 3.509) 7.498 19.658 ( -11.275 6.009 -3.838) 13.340 19.993 ( -4.329 -2.294 -0.259) 4.906 20.901 ( 5.558 5.048 4.602) 8.807 21.101 ( 10.187 -5.880 -4.880) 12.734 21.639 ( -25.908 2.526 4.972) 26.501 23.391 ( 8.897 7.303 -15.266) 19.119 ======================= Grid point 306 (162/201) ======================= q-point: (-0.12 -0.38 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -3.992 -4.645 14.104) 15.377 2.364 ( -7.964 -2.806 10.739) 13.661 2.667 ( -7.137 -3.925 6.979) 10.726 2.700 ( 5.335 2.286 -3.366) 6.710 2.945 ( -5.121 -1.512 0.364) 5.352 3.176 ( 2.017 -1.724 -5.571) 6.171 3.493 ( 1.037 5.080 -7.306) 8.958 3.783 ( 4.358 8.016 -6.558) 11.236 4.447 ( -5.647 -4.431 5.417) 8.992 5.066 ( 1.948 -11.851 7.006) 13.904 5.364 ( -3.340 3.926 7.909) 9.441 5.662 ( -1.948 -5.152 4.882) 7.360 6.284 ( -14.404 -7.497 19.278) 25.206 6.517 ( -10.712 7.790 12.482) 18.200 6.696 ( -7.859 -4.999 11.229) 14.589 6.959 ( -4.113 11.422 6.007) 13.545 7.214 ( 0.331 8.849 4.949) 10.144 7.369 ( 2.122 -5.231 -2.814) 6.307 7.524 ( 3.187 -0.291 -5.825) 6.646 7.752 ( 2.055 7.221 -8.332) 11.216 8.073 ( -0.304 18.286 5.594) 19.125 8.334 ( 15.152 6.095 -18.742) 24.860 8.692 ( -3.027 -15.026 -4.160) 15.882 9.051 ( 3.871 -9.337 -6.211) 11.864 9.635 ( 8.684 9.338 -6.994) 14.544 9.928 ( 2.484 7.290 0.884) 7.752 10.211 ( 6.892 -10.836 13.101) 18.345 10.866 ( 5.979 -8.870 2.094) 10.900 11.017 ( 6.619 -1.308 -12.618) 14.308 11.280 ( -2.299 -11.229 4.051) 12.157 11.674 ( -0.359 -7.663 -9.127) 11.923 11.826 ( 0.105 1.312 -0.066) 1.318 12.845 ( 4.003 0.829 -3.600) 5.447 13.028 ( 1.207 6.155 -3.845) 7.357 13.175 ( -1.265 6.669 2.749) 7.323 13.363 ( -0.950 4.290 -0.201) 4.399 13.529 ( 4.020 2.136 11.508) 12.375 13.897 ( 1.040 -1.157 2.105) 2.617 14.121 ( -9.341 -5.436 -5.411) 12.087 14.327 ( 6.367 -7.949 2.590) 10.509 14.651 ( -2.255 -10.587 8.887) 14.005 15.199 ( 1.009 3.609 1.016) 3.882 15.557 ( -1.935 1.212 10.386) 10.634 15.752 ( -6.476 5.828 8.010) 11.835 16.186 ( 11.156 -7.777 -14.134) 19.614 16.521 ( -2.231 3.197 -7.326) 8.298 17.194 ( 2.857 2.306 0.408) 3.694 17.690 ( 5.557 -4.397 1.573) 7.258 19.422 ( -6.536 7.342 -2.839) 10.231 19.979 ( -4.884 -3.183 -0.491) 5.850 20.876 ( 0.593 6.451 3.240) 7.243 21.252 ( -6.897 -2.940 1.634) 7.673 21.397 ( -1.712 -2.713 -3.424) 4.692 23.220 ( 0.364 11.450 -14.117) 18.180 ======================= Grid point 313 (163/201) ======================= q-point: (-0.25 -0.25 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -5.140 -0.000 16.775) 17.545 2.279 ( -9.651 -0.000 16.233) 18.885 2.616 ( -7.859 -0.000 5.661) 9.686 2.730 ( 6.384 0.000 -6.113) 8.839 2.897 ( -5.747 -0.000 0.707) 5.791 3.140 ( 2.473 0.000 -3.501) 4.287 3.613 ( 0.753 0.000 -5.303) 5.357 3.879 ( 0.319 0.000 -5.191) 5.201 4.406 ( -3.959 -0.000 1.406) 4.201 4.859 ( 2.627 0.000 6.916) 7.398 5.449 ( -3.677 -0.000 15.459) 15.890 5.547 ( -5.038 -0.000 5.786) 7.672 6.243 ( -18.120 -0.000 20.969) 27.714 6.571 ( -6.784 -0.000 10.322) 12.352 6.709 ( -4.423 -0.000 3.814) 5.840 7.145 ( -0.720 -0.000 8.285) 8.316 7.169 ( -5.366 -0.000 -0.744) 5.417 7.358 ( 2.882 0.000 -8.561) 9.033 7.746 ( -0.822 -0.000 3.253) 3.356 7.806 ( 1.271 0.000 -4.365) 4.546 8.307 ( 7.348 0.000 -10.542) 12.850 8.401 ( -0.369 -0.000 -8.878) 8.885 8.466 ( 8.720 0.000 -3.438) 9.374 8.994 ( 8.144 0.000 0.508) 8.160 9.810 ( 8.027 0.000 -8.340) 11.576 9.822 ( 6.023 0.000 7.489) 9.610 10.133 ( 0.695 0.000 13.486) 13.504 10.756 ( 14.163 0.000 2.317) 14.352 10.901 ( 0.308 0.000 -5.246) 5.255 11.170 ( 0.463 0.000 -17.106) 17.112 11.539 ( -3.740 -0.000 -2.671) 4.595 11.825 ( 1.874 0.000 3.177) 3.688 12.847 ( 8.436 0.000 -10.978) 13.845 13.023 ( 6.532 0.000 0.438) 6.547 13.429 ( -1.272 -0.000 1.263) 1.792 13.454 ( -1.245 -0.000 10.988) 11.059 13.687 ( 2.939 0.000 17.866) 18.106 13.881 ( -4.938 -0.000 -6.494) 8.158 13.889 ( -7.305 -0.000 1.863) 7.538 14.123 ( 7.417 0.000 -8.621) 11.372 14.492 ( 5.333 0.000 5.415) 7.600 15.278 ( -10.914 -0.000 -3.534) 11.472 15.547 ( 5.944 0.000 15.346) 16.457 15.888 ( -5.522 -0.000 15.486) 16.442 16.027 ( 11.097 0.000 -14.294) 18.095 16.586 ( -3.953 -0.000 -10.025) 10.776 17.227 ( 3.121 0.000 0.625) 3.184 17.616 ( 5.836 0.000 4.292) 7.244 19.561 ( -8.219 -0.000 -6.022) 10.189 19.906 ( -6.040 -0.000 -0.989) 6.121 21.042 ( -0.468 -0.000 9.242) 9.254 21.106 ( 8.737 0.000 -8.724) 12.347 21.392 ( -20.420 -0.000 2.096) 20.527 23.407 ( 0.385 0.000 -19.481) 19.484 ======================= Grid point 314 (164/201) ======================= q-point: (-0.12 -0.25 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -2.169 -0.264 20.059) 20.178 2.284 ( -9.617 -3.006 15.243) 18.272 2.573 ( -6.601 -2.280 4.896) 8.529 2.759 ( 4.138 0.244 -3.726) 5.574 2.864 ( -2.964 -1.297 -0.523) 3.277 3.164 ( 1.784 -0.669 -0.795) 2.065 3.552 ( 1.604 5.358 -5.230) 7.657 3.860 ( 2.440 1.035 -6.056) 6.611 4.398 ( -0.964 -0.842 5.430) 5.579 4.980 ( 1.467 -7.646 6.985) 10.460 5.430 ( -5.031 4.535 10.381) 12.396 5.582 ( -3.792 -5.457 8.418) 10.725 6.152 ( -16.075 -1.481 20.614) 26.183 6.521 ( -9.403 1.907 2.920) 10.029 6.654 ( -6.052 2.140 12.353) 13.921 7.094 ( -0.360 5.641 1.674) 5.895 7.202 ( -3.936 -6.231 4.542) 8.657 7.397 ( 6.513 -2.880 -7.235) 10.152 7.529 ( -2.307 13.477 -1.843) 13.797 7.882 ( 2.658 2.480 -1.551) 3.952 8.281 ( 3.132 6.556 2.083) 7.559 8.408 ( 1.436 -7.446 -15.155) 16.947 8.579 ( 11.288 3.518 -7.821) 14.176 9.001 ( 5.931 3.447 -0.919) 6.921 9.812 ( 10.449 4.278 -5.793) 12.690 10.049 ( 1.120 -0.442 7.022) 7.125 10.204 ( 3.330 -7.210 14.150) 16.226 10.802 ( -0.433 -0.179 -2.515) 2.558 11.033 ( 9.518 -7.355 -4.581) 12.871 11.114 ( -1.416 -4.756 -9.216) 10.467 11.539 ( 0.742 -4.840 -4.721) 6.802 11.852 ( 1.535 0.352 -0.252) 1.595 12.897 ( 7.863 0.476 -7.065) 10.581 13.074 ( 0.820 1.460 1.300) 2.120 13.323 ( -5.071 12.832 3.646) 14.271 13.424 ( 1.904 3.287 1.209) 3.986 13.660 ( -2.612 3.777 3.497) 5.773 13.877 ( -2.750 -5.185 1.889) 6.165 13.977 ( 3.612 -1.936 4.701) 6.236 14.268 ( 9.405 -11.079 -1.887) 14.655 14.637 ( 7.819 -2.478 8.498) 11.811 15.111 ( -12.035 -1.822 -6.674) 13.881 15.662 ( -0.272 2.814 18.312) 18.529 15.874 ( -0.247 6.730 12.216) 13.949 16.137 ( 10.096 -5.811 -12.588) 17.151 16.463 ( -4.719 1.029 -8.876) 10.105 17.262 ( 5.273 1.577 -3.205) 6.369 17.703 ( 1.949 -1.673 2.703) 3.728 19.434 ( -0.662 3.656 -6.488) 7.477 19.842 ( -8.999 -3.431 -1.192) 9.704 20.929 ( -15.384 4.551 7.147) 17.563 21.138 ( -1.197 0.930 -4.896) 5.126 21.354 ( 7.323 -6.642 -1.500) 10.000 23.200 ( -9.564 5.235 -19.501) 22.342 ======================= Grid point 322 (165/201) ======================= q-point: (-0.12 -0.12 0.36) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -0.418 -0.000 21.866) 21.870 2.244 ( -8.327 -0.000 17.148) 19.063 2.510 ( -3.796 -0.000 2.466) 4.527 2.765 ( -0.215 -0.000 0.196) 0.291 2.850 ( 2.503 0.000 -3.290) 4.134 3.183 ( 0.773 0.000 2.795) 2.900 3.604 ( 3.082 0.000 -4.449) 5.412 3.841 ( 1.546 0.000 -5.100) 5.329 4.441 ( 2.895 0.000 6.011) 6.672 4.958 ( -0.659 -0.000 4.988) 5.031 5.470 ( -8.432 -0.000 14.277) 16.581 5.532 ( -2.368 -0.000 7.381) 7.752 6.072 ( -14.321 -0.000 18.907) 23.719 6.434 ( -10.350 -0.000 2.361) 10.615 6.677 ( -4.616 -0.000 10.726) 11.677 7.098 ( -4.386 -0.000 4.570) 6.335 7.163 ( -0.441 -0.000 2.078) 2.124 7.392 ( 7.967 0.000 -8.468) 11.627 7.730 ( -4.680 -0.000 5.456) 7.188 7.766 ( -0.997 -0.000 -3.862) 3.989 8.309 ( 6.162 0.000 -19.171) 20.137 8.417 ( 11.518 0.000 -11.897) 16.559 8.665 ( 4.590 0.000 9.051) 10.148 9.166 ( 6.519 0.000 -0.781) 6.565 9.998 ( 2.898 0.000 7.024) 7.598 10.002 ( 12.153 0.000 -2.660) 12.441 10.227 ( -6.651 -0.000 12.647) 14.290 10.851 ( -0.781 -0.000 -1.276) 1.496 10.876 ( -6.193 -0.000 -0.687) 6.231 11.116 ( 13.355 0.000 -16.754) 21.425 11.508 ( 3.054 0.000 -2.113) 3.714 11.855 ( 0.173 0.000 -2.911) 2.916 12.959 ( 8.729 0.000 -7.542) 11.536 13.104 ( -1.800 -0.000 4.293) 4.655 13.372 ( -7.396 -0.000 3.392) 8.136 13.515 ( 4.762 0.000 3.374) 5.836 13.630 ( -10.057 -0.000 0.078) 10.058 13.695 ( -5.100 -0.000 -3.379) 6.118 14.232 ( 12.971 0.000 20.508) 24.265 14.241 ( 11.011 0.000 -9.364) 14.455 14.793 ( 8.794 0.000 10.479) 13.680 14.890 ( -11.444 -0.000 -9.074) 14.605 15.760 ( -5.262 -0.000 17.544) 18.316 16.040 ( 3.705 0.000 16.724) 17.130 16.122 ( 10.150 0.000 -17.276) 20.037 16.381 ( -1.047 -0.000 -6.637) 6.719 17.327 ( 8.388 0.000 -7.022) 10.939 17.693 ( -5.029 -0.000 1.612) 5.281 19.459 ( 8.731 0.000 -9.511) 12.911 19.667 ( -15.500 -0.000 -0.594) 15.511 20.775 ( -18.280 -0.000 7.917) 19.920 21.163 ( 6.034 0.000 -12.099) 13.520 21.386 ( 7.473 0.000 4.601) 8.775 22.950 ( -20.165 -0.000 -19.715) 28.201 ======================= Grid point 323 (166/201) ======================= q-point: ( 0.00 0.00 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -2.932 -0.000 5.635) 6.352 2.525 ( 1.712 0.000 -0.816) 1.897 2.607 ( 1.230 0.000 10.094) 10.168 2.741 ( 0.301 0.000 -3.529) 3.542 2.976 ( 1.888 0.000 6.870) 7.124 3.124 ( -0.893 -0.000 -7.350) 7.404 3.616 ( 2.654 0.000 0.704) 2.746 3.686 ( 0.492 0.000 -6.307) 6.326 4.775 ( 6.212 0.000 7.111) 9.442 4.878 ( -6.609 -0.000 -3.401) 7.432 5.587 ( -7.635 -0.000 8.377) 11.335 5.688 ( 3.942 0.000 -1.162) 4.110 6.249 ( -4.063 -0.000 4.600) 6.137 6.253 ( -3.900 -0.000 2.427) 4.594 7.054 ( -1.811 -0.000 15.189) 15.296 7.197 ( -1.440 -0.000 0.792) 1.644 7.340 ( 1.911 0.000 9.486) 9.677 7.408 ( 2.652 0.000 -1.567) 3.081 7.607 ( -8.269 -0.000 1.843) 8.472 7.752 ( -2.132 -0.000 0.693) 2.241 7.865 ( -1.069 -0.000 -7.459) 7.535 8.198 ( 15.945 0.000 -23.148) 28.109 9.078 ( 3.033 0.000 7.857) 8.422 9.177 ( -0.851 -0.000 -3.645) 3.743 10.086 ( -13.517 -0.000 5.982) 14.782 10.188 ( 9.928 0.000 -3.055) 10.388 10.348 ( 0.360 0.000 6.825) 6.835 10.535 ( 1.382 0.000 -13.167) 13.240 11.001 ( -6.093 -0.000 10.549) 12.183 11.164 ( 10.468 0.000 -4.752) 11.496 11.550 ( 1.787 0.000 1.295) 2.207 11.639 ( -2.487 -0.000 -6.772) 7.214 13.029 ( 6.620 0.000 -0.318) 6.627 13.045 ( -6.984 -0.000 -1.541) 7.152 13.347 ( -4.446 -0.000 6.742) 8.076 13.468 ( 2.707 0.000 -5.653) 6.268 13.564 ( -4.059 -0.000 5.949) 7.201 13.651 ( 1.474 0.000 -2.784) 3.150 14.368 ( -16.684 -0.000 -1.197) 16.727 14.371 ( 14.436 0.000 -1.527) 14.516 15.090 ( 1.979 0.000 23.854) 23.936 15.448 ( 13.981 0.000 11.877) 18.345 15.492 ( -14.057 -0.000 -14.217) 19.993 15.696 ( -1.896 -0.000 -16.543) 16.651 16.558 ( 9.485 0.000 4.125) 10.343 16.572 ( 0.491 0.000 2.937) 2.978 17.334 ( -22.464 -0.000 -0.911) 22.482 17.380 ( 21.702 0.000 -5.969) 22.508 19.305 ( -21.318 -0.000 8.119) 22.812 19.492 ( 19.699 0.000 -11.075) 22.599 20.729 ( -6.920 -0.000 8.410) 10.891 20.922 ( 7.646 0.000 -11.601) 13.894 21.824 ( 13.489 0.000 9.073) 16.257 22.002 ( -19.949 -0.000 -9.302) 22.011 ======================= Grid point 324 (167/201) ======================= q-point: ( 0.12 0.00 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -3.297 0.740 5.596) 6.537 2.573 ( 2.074 -3.228 0.094) 3.838 2.683 ( 3.559 -0.212 4.949) 6.100 2.745 ( 3.113 -1.268 -5.372) 6.337 2.987 ( -1.369 5.152 5.077) 7.362 3.040 ( -0.951 2.666 -6.316) 6.922 3.592 ( 1.222 5.687 1.848) 6.103 3.643 ( 1.660 3.425 -8.396) 9.219 4.834 ( -5.396 -6.673 -3.620) 9.314 4.923 ( 4.600 -5.316 5.687) 9.042 5.506 ( -8.704 3.993 9.379) 13.404 5.699 ( 3.174 2.718 -3.090) 5.197 6.253 ( -2.157 -3.172 9.376) 10.131 6.315 ( -0.407 -7.310 2.740) 7.817 7.106 ( -0.967 1.231 11.530) 11.635 7.189 ( -0.765 -0.598 -0.599) 1.141 7.349 ( 0.841 7.554 3.881) 8.534 7.405 ( 4.711 2.341 -6.670) 8.495 7.517 ( -10.219 -0.590 11.237) 15.200 7.789 ( -6.414 -7.125 4.055) 10.409 7.825 ( 2.442 1.303 -9.464) 9.861 8.294 ( 13.955 -4.781 -19.279) 24.275 8.957 ( -2.345 18.211 2.792) 18.572 9.077 ( 3.473 8.695 -5.023) 10.625 9.903 ( -11.768 8.046 3.809) 14.756 10.133 ( 4.937 15.996 -2.640) 16.947 10.392 ( -6.576 -4.688 6.225) 10.196 10.643 ( 7.993 -13.981 -10.009) 18.962 11.092 ( -6.710 -14.656 9.208) 18.564 11.328 ( 5.864 -10.694 -9.503) 15.461 11.577 ( 2.491 1.607 3.318) 4.449 11.585 ( 0.668 -0.228 -4.844) 4.895 12.941 ( -8.226 0.745 -0.759) 8.295 13.056 ( 2.530 5.450 3.180) 6.798 13.265 ( -0.993 8.349 2.697) 8.829 13.355 ( 4.383 9.376 -1.560) 10.467 13.684 ( -1.749 -8.585 3.547) 9.452 13.748 ( 2.105 -8.688 0.044) 8.940 14.172 ( -16.593 -1.117 -1.479) 16.696 14.515 ( 11.597 0.692 1.913) 11.774 15.178 ( -7.622 2.409 18.647) 20.288 15.261 ( -12.069 -1.941 -9.616) 15.553 15.568 ( -0.874 0.375 -13.820) 13.853 15.673 ( 10.012 -0.388 8.004) 12.824 16.514 ( -1.264 6.736 -4.403) 8.146 16.630 ( 9.651 5.606 -4.643) 12.089 17.093 ( -17.898 -1.503 2.226) 18.098 17.598 ( 20.637 1.983 -3.800) 21.078 19.162 ( -17.506 -5.094 9.838) 20.717 19.676 ( 16.945 -2.822 -9.143) 19.460 20.711 ( -4.268 0.067 8.437) 9.456 20.976 ( 12.993 0.253 -10.769) 16.877 21.761 ( -18.553 -2.916 -4.096) 19.222 22.079 ( 13.425 -5.246 10.875) 18.055 ======================= Grid point 325 (168/201) ======================= q-point: ( 0.25 0.00 -0.55) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( -3.090 -0.780 4.866) 5.817 2.629 ( -0.771 -0.916 1.189) 1.688 2.721 ( 2.081 3.222 2.701) 4.691 2.799 ( 7.922 -1.553 -7.955) 11.334 2.880 ( -1.944 3.895 0.637) 4.399 2.983 ( -0.853 1.999 -0.385) 2.207 3.501 ( -0.865 9.256 -2.367) 9.593 3.555 ( 2.251 3.338 -4.828) 6.287 4.883 ( -3.905 -10.351 -5.822) 12.501 5.072 ( -0.510 -4.975 7.574) 9.077 5.400 ( -5.999 2.788 6.687) 9.407 5.666 ( 4.557 5.652 -1.954) 7.518 6.362 ( -0.669 -7.192 7.452) 10.378 6.500 ( 2.448 -12.611 5.485) 13.969 7.076 ( -3.728 6.269 3.287) 8.000 7.178 ( -0.030 0.588 -3.490) 3.539 7.274 ( -0.841 5.955 11.249) 12.755 7.374 ( 0.327 1.717 -3.174) 3.624 7.473 ( -3.788 0.640 1.957) 4.311 7.749 ( -3.334 4.420 -2.430) 6.046 7.800 ( -3.547 1.911 1.833) 4.426 8.425 ( 12.478 -1.452 -18.035) 21.979 8.657 ( -7.208 11.552 8.381) 15.989 9.035 ( 9.632 0.305 -11.787) 15.226 9.659 ( -6.185 9.769 -0.492) 11.573 9.887 ( 0.733 19.884 0.554) 19.906 10.397 ( -9.928 -4.312 6.721) 12.741 10.897 ( 10.448 -10.000 -7.651) 16.361 11.300 ( -8.268 -13.954 8.876) 18.489 11.373 ( -3.252 -8.187 -16.663) 18.848 11.601 ( 1.650 3.663 7.140) 8.193 11.695 ( 8.504 -8.605 -4.404) 12.874 12.828 ( -6.545 3.307 -0.571) 7.355 12.988 ( 0.230 6.830 7.005) 9.786 13.164 ( 0.702 5.523 1.403) 5.741 13.283 ( 3.221 6.652 -4.448) 8.626 13.730 ( -4.994 1.840 5.131) 7.392 13.894 ( 2.554 -5.868 1.964) 6.695 14.050 ( -10.001 -7.783 -4.852) 13.570 14.636 ( 4.449 -0.722 4.507) 6.374 15.081 ( -6.198 -4.361 -8.310) 11.247 15.167 ( -7.561 4.147 10.434) 13.536 15.515 ( -1.994 -4.324 -8.001) 9.311 15.778 ( 1.670 5.006 12.691) 13.745 16.333 ( -1.054 8.776 -9.194) 12.753 16.579 ( 4.256 5.437 -9.833) 12.015 17.017 ( -3.199 -1.236 3.888) 5.184 17.736 ( 12.917 3.244 -3.116) 13.677 19.149 ( -9.883 -7.188 8.824) 15.073 19.852 ( 10.413 -4.521 -5.489) 12.610 20.713 ( -2.617 -0.004 7.111) 7.577 21.103 ( 19.122 0.788 -9.588) 21.406 21.598 ( -18.021 -4.702 0.014) 18.625 22.383 ( 11.431 -7.543 10.135) 17.038 ======================= Grid point 326 (169/201) ======================= q-point: ( 0.38 0.00 -0.55) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -1.905 1.219 2.671) 3.500 2.580 ( -3.418 2.586 0.246) 4.293 2.667 ( -0.702 6.061 5.495) 8.212 2.832 ( 1.328 -0.456 -0.291) 1.434 2.924 ( 6.335 -2.829 -5.518) 8.865 2.973 ( 0.818 -1.807 -0.808) 2.142 3.319 ( -2.366 8.495 -4.641) 9.965 3.533 ( 2.058 1.085 -2.573) 3.469 4.951 ( -3.421 -4.120 1.017) 5.451 5.104 ( -5.592 -2.872 3.279) 7.090 5.411 ( -0.361 -5.118 1.821) 5.444 5.621 ( 5.258 7.115 -0.815) 8.885 6.525 ( 1.217 -9.303 5.880) 11.072 6.763 ( 3.004 -13.269 4.944) 14.475 6.911 ( -8.771 8.045 8.100) 14.397 7.106 ( -0.583 6.987 -2.454) 7.428 7.246 ( 0.098 2.695 3.799) 4.659 7.376 ( -6.635 -2.979 14.973) 16.646 7.443 ( 6.200 1.074 -14.647) 15.941 7.605 ( -5.887 7.027 2.121) 9.409 7.660 ( -2.579 8.963 -4.217) 10.236 8.265 ( 3.846 14.201 -11.747) 18.827 8.765 ( -0.415 -15.383 7.892) 17.295 9.109 ( 6.705 -2.925 -12.152) 14.184 9.515 ( 2.874 4.596 -7.854) 9.543 9.611 ( -2.196 16.235 4.677) 17.037 10.381 ( -7.214 -2.852 7.341) 10.680 11.022 ( 7.415 3.644 -4.619) 9.465 11.347 ( -3.222 -13.427 -11.495) 17.967 11.476 ( -0.991 -1.950 6.117) 6.496 11.578 ( -3.078 -0.100 1.356) 3.365 11.856 ( 4.635 -4.127 -3.258) 7.009 12.681 ( -2.986 6.565 -1.435) 7.353 12.998 ( 1.644 -0.930 5.457) 5.775 13.134 ( 0.054 1.088 2.559) 2.781 13.159 ( -1.897 6.382 -4.892) 8.262 13.642 ( -3.606 2.898 1.933) 5.014 13.996 ( 2.283 -2.675 2.321) 4.214 14.066 ( -3.913 -5.582 -2.971) 7.436 14.655 ( -3.910 0.771 4.182) 5.776 15.023 ( -5.734 -2.329 -9.101) 11.007 15.213 ( 7.351 -2.874 11.908) 14.286 15.531 ( -3.009 -2.411 1.396) 4.100 15.710 ( -8.515 3.346 9.023) 12.850 16.161 ( 1.340 8.021 -11.813) 14.342 16.507 ( 3.180 2.936 -7.762) 8.887 17.050 ( 2.789 -0.493 1.579) 3.243 17.782 ( 5.720 2.590 -2.432) 6.734 19.210 ( -3.547 -5.449 5.680) 8.633 19.979 ( 4.449 -3.603 -2.391) 6.205 20.729 ( -1.129 -0.808 4.588) 4.793 21.270 ( 21.484 2.933 -8.232) 23.193 21.465 ( -18.532 -4.758 2.892) 19.350 22.646 ( 6.823 -7.104 5.911) 11.488 ======================= Grid point 327 (170/201) ======================= q-point: (-0.50 0.00 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( -0.430 4.931 4.916) 6.976 2.529 ( -2.008 0.552 2.415) 3.189 2.639 ( -0.342 -0.037 2.944) 2.964 2.840 ( -0.482 1.057 1.244) 1.702 2.955 ( -0.791 -0.755 0.256) 1.123 3.030 ( 1.806 -1.324 -5.840) 6.255 3.209 ( 1.912 -0.520 -4.982) 5.362 3.531 ( 0.587 -0.473 -2.325) 2.444 4.889 ( -4.748 8.932 12.820) 16.330 5.161 ( -0.495 -9.751 -6.785) 11.889 5.473 ( 1.368 1.837 1.025) 2.509 5.590 ( 1.774 -0.285 -1.855) 2.583 6.693 ( -1.136 -4.484 6.965) 8.361 6.720 ( -6.322 6.570 6.284) 11.074 6.978 ( 0.506 8.197 5.538) 9.906 7.006 ( -3.445 -10.227 7.452) 13.114 7.246 ( -2.977 -0.864 1.315) 3.368 7.364 ( -0.456 5.068 -8.073) 9.543 7.434 ( 2.104 1.977 5.211) 5.958 7.461 ( -2.051 0.433 4.992) 5.415 7.618 ( 4.612 -8.175 -10.107) 13.794 8.087 ( 0.500 6.716 -5.585) 8.749 9.016 ( 0.678 -8.384 3.574) 9.140 9.092 ( -0.412 3.006 -3.782) 4.849 9.342 ( 0.921 8.746 -4.990) 10.111 9.597 ( 5.253 -5.942 -6.239) 10.091 10.413 ( -0.392 -3.176 4.747) 5.725 10.992 ( 3.754 3.729 -3.295) 6.233 11.362 ( -4.395 12.630 5.825) 14.587 11.492 ( 6.351 -6.187 -5.258) 10.309 11.601 ( -3.207 -6.607 -4.437) 8.581 11.871 ( -0.622 5.230 3.540) 6.346 12.610 ( -0.099 -1.977 -3.054) 3.639 13.009 ( 1.371 4.990 3.504) 6.249 13.102 ( -2.611 -5.296 -4.607) 7.489 13.155 ( 1.520 -1.355 1.198) 2.363 13.607 ( 0.927 0.671 0.886) 1.448 14.043 ( -1.769 -1.325 -2.160) 3.091 14.067 ( 0.058 0.816 3.394) 3.491 14.617 ( -2.253 2.197 6.438) 7.166 14.963 ( 0.230 0.339 -6.987) 6.999 15.349 ( -4.787 5.221 13.509) 15.254 15.548 ( 7.274 -3.994 0.926) 8.350 15.708 ( -9.931 -10.287 9.958) 17.425 15.990 ( 3.298 7.717 -15.394) 17.533 16.475 ( 1.693 1.720 -4.138) 4.790 17.091 ( 1.736 -0.865 -1.089) 2.225 17.780 ( 0.921 1.190 -1.223) 1.939 19.269 ( 0.695 -1.804 1.569) 2.490 20.023 ( -0.137 0.124 -0.880) 0.899 20.758 ( -0.691 -2.220 1.475) 2.753 21.315 ( -16.900 -2.556 3.552) 17.457 21.425 ( 18.153 4.703 -5.675) 19.592 22.793 ( 0.313 -4.917 -0.795) 4.991 ======================= Grid point 328 (171/201) ======================= q-point: (-0.38 0.00 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 1.431 3.686 8.886) 9.726 2.538 ( -2.910 -1.210 6.084) 6.852 2.661 ( -1.196 -0.877 2.538) 2.939 2.805 ( -1.112 3.134 2.645) 4.249 2.920 ( -3.391 1.834 -1.625) 4.184 3.021 ( 1.210 -3.146 -6.199) 7.056 3.301 ( 4.063 -6.754 -2.896) 8.398 3.548 ( 0.772 -3.968 -4.236) 5.855 4.774 ( -0.958 10.877 12.908) 16.907 5.263 ( 0.746 -7.364 -5.980) 9.516 5.399 ( 1.666 9.214 3.101) 9.864 5.641 ( -1.601 -6.402 -3.528) 7.484 6.539 ( -8.246 7.257 5.043) 12.087 6.712 ( -4.075 6.984 7.914) 11.314 6.955 ( 1.088 4.501 5.599) 7.266 7.047 ( -8.809 -5.657 15.328) 18.562 7.263 ( 1.029 -1.464 -8.340) 8.529 7.291 ( -0.145 -2.671 -4.103) 4.898 7.457 ( 3.004 1.482 6.665) 7.460 7.584 ( 5.016 -8.117 -0.557) 9.558 7.859 ( 9.915 -18.620 -8.704) 22.820 8.026 ( -3.186 -2.057 2.043) 4.307 8.884 ( -6.633 15.375 4.158) 17.253 9.001 ( 2.288 6.114 -8.619) 10.812 9.457 ( 5.163 -14.093 -1.289) 15.064 9.734 ( 2.996 -11.158 -7.266) 13.648 10.505 ( 6.545 -2.538 -1.985) 7.295 10.984 ( 2.451 1.801 -1.905) 3.588 11.121 ( -4.179 15.972 7.642) 18.192 11.519 ( 3.332 8.347 0.245) 8.990 11.681 ( 1.276 -5.728 -4.343) 7.300 11.758 ( -2.911 7.124 4.631) 8.982 12.690 ( 1.619 -8.518 -2.458) 9.012 13.019 ( 2.047 -0.147 4.610) 5.046 13.117 ( -2.158 -4.197 -2.944) 5.562 13.200 ( 0.273 -3.740 -3.630) 5.219 13.667 ( 6.932 -2.696 0.251) 7.442 13.976 ( -2.882 4.292 -0.237) 5.175 14.068 ( -0.686 2.150 1.630) 2.784 14.625 ( 2.705 2.212 7.244) 8.043 14.942 ( 4.784 3.805 0.588) 6.141 15.194 ( -10.513 7.198 5.827) 14.010 15.682 ( 3.584 -2.640 -6.830) 8.152 15.865 ( -5.643 -10.601 17.541) 21.258 15.913 ( 8.013 -2.043 -11.667) 14.300 16.439 ( -0.227 2.218 -1.304) 2.583 17.104 ( 0.182 -1.696 -3.923) 4.278 17.758 ( -3.344 -0.375 0.084) 3.366 19.295 ( 4.585 1.748 -2.918) 5.709 19.958 ( -5.013 4.368 -0.063) 6.649 20.791 ( -1.371 -3.589 -1.112) 4.000 21.155 ( -17.464 -0.935 3.589) 17.854 21.522 ( 17.491 7.329 -3.417) 19.269 22.781 ( -7.076 -1.901 -7.906) 10.779 ======================= Grid point 329 (172/201) ======================= q-point: (-0.25 0.00 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 3.745 1.114 8.990) 9.803 2.522 ( -7.137 1.547 10.316) 12.639 2.637 ( -5.335 1.258 4.395) 7.026 2.783 ( 1.969 1.590 0.052) 2.532 2.865 ( -1.518 0.058 0.614) 1.639 3.071 ( 2.541 -4.617 -6.536) 8.396 3.425 ( 1.497 -6.206 1.275) 6.510 3.624 ( 2.735 -7.196 -8.042) 11.133 4.703 ( 2.859 9.038 11.155) 14.639 5.203 ( -1.478 8.808 -3.875) 9.735 5.426 ( 0.641 -6.416 3.952) 7.563 5.677 ( -1.533 -3.119 -2.865) 4.505 6.378 ( -8.132 4.581 4.173) 10.224 6.548 ( -5.418 9.893 3.953) 11.952 6.951 ( -3.494 0.534 14.137) 14.572 7.161 ( -3.551 -7.633 8.336) 11.847 7.223 ( 1.848 1.781 -4.473) 5.157 7.324 ( 0.029 -1.932 0.151) 1.938 7.533 ( 0.151 -2.237 9.634) 9.892 7.728 ( 7.909 -4.401 -10.442) 13.819 8.063 ( -0.575 -3.445 -1.044) 3.645 8.206 ( 8.637 -13.246 -13.164) 20.576 8.635 ( -5.766 6.565 12.030) 14.868 8.953 ( 2.244 -3.302 -5.308) 6.642 9.705 ( 8.252 -10.646 -4.613) 14.237 9.936 ( -0.861 -18.180 -2.538) 18.377 10.577 ( 10.204 3.805 -8.942) 14.091 10.796 ( -8.587 13.166 2.235) 15.877 11.064 ( 5.743 5.979 11.071) 13.831 11.379 ( 1.507 15.079 3.053) 15.459 11.585 ( -2.910 6.556 1.552) 7.338 11.769 ( 0.067 -2.117 -6.300) 6.646 12.827 ( 3.849 -5.840 -1.000) 7.065 13.079 ( -0.219 -3.986 1.076) 4.134 13.172 ( -0.009 -6.428 -0.358) 6.438 13.239 ( -3.809 -7.252 -2.702) 8.626 13.827 ( 6.948 -3.382 -1.379) 7.849 13.862 ( -1.233 8.321 2.351) 8.734 14.014 ( 2.763 2.854 -1.082) 4.117 14.678 ( 1.075 0.129 4.936) 5.054 14.911 ( 3.331 11.067 0.891) 11.592 15.075 ( -0.975 0.579 14.339) 14.384 15.694 ( 7.780 -0.522 -17.615) 19.264 15.920 ( -13.012 -7.886 2.620) 15.439 16.130 ( 8.348 -7.261 8.656) 14.048 16.419 ( 1.295 0.870 4.423) 4.690 17.121 ( 3.228 -2.457 -6.631) 7.774 17.704 ( -9.292 -1.378 0.468) 9.405 19.307 ( 9.771 3.584 -7.191) 12.650 19.785 ( -11.604 6.226 1.616) 13.267 20.813 ( -4.327 -3.940 -0.004) 5.852 20.993 ( -10.020 1.172 -0.960) 10.134 21.588 ( 14.649 7.522 0.628) 16.479 22.605 ( -14.071 1.022 -12.666) 18.960 ======================= Grid point 330 (173/201) ======================= q-point: (-0.12 0.00 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -5.525 0.314 9.135) 10.680 2.494 ( 5.723 1.348 2.449) 6.369 2.584 ( -5.423 1.290 8.997) 10.584 2.768 ( -0.304 1.079 -1.966) 2.264 2.901 ( 1.861 -1.699 5.067) 5.659 3.126 ( 1.254 -3.928 -6.236) 7.475 3.536 ( 1.559 -5.286 1.779) 5.791 3.692 ( 1.735 -3.471 -7.687) 8.611 4.701 ( 5.166 4.852 8.692) 11.215 5.022 ( -4.944 7.127 -3.039) 9.191 5.552 ( -1.774 -6.583 6.010) 9.089 5.672 ( 0.446 0.753 -1.325) 1.588 6.274 ( -6.824 0.819 4.685) 8.317 6.373 ( -4.971 6.864 0.343) 8.482 6.995 ( -3.334 -0.429 15.788) 16.142 7.205 ( 0.288 0.281 -0.561) 0.690 7.260 ( -1.016 -3.011 8.709) 9.271 7.367 ( 1.490 -1.761 1.488) 2.745 7.604 ( -5.318 -4.678 8.247) 10.870 7.788 ( 8.209 -0.189 -14.960) 17.065 7.998 ( -9.125 5.922 2.123) 11.083 8.190 ( 13.270 6.393 -21.788) 26.300 8.841 ( 2.970 -16.447 10.950) 19.980 9.089 ( 1.582 -11.554 -2.589) 11.946 9.935 ( 7.134 -10.821 -0.129) 12.962 10.165 ( -3.652 -15.534 -2.995) 16.236 10.428 ( -0.565 18.674 4.174) 19.143 10.624 ( 1.584 3.316 -9.972) 10.628 11.063 ( 1.016 8.974 11.815) 14.872 11.190 ( 3.833 13.880 2.134) 14.557 11.527 ( 0.924 0.236 -0.863) 1.286 11.715 ( -2.769 0.717 -7.446) 7.976 12.936 ( 6.665 -1.924 -0.833) 6.987 13.104 ( -4.165 -2.087 -0.659) 4.705 13.296 ( -3.132 -8.231 1.985) 9.027 13.320 ( -1.471 -12.690 -1.564) 12.870 13.732 ( -0.593 8.141 -0.256) 8.166 13.741 ( -4.006 10.831 0.612) 11.565 14.176 ( 15.729 -3.901 -2.178) 16.351 14.576 ( -14.299 1.167 -4.018) 14.898 14.926 ( 9.246 4.342 18.722) 21.327 15.226 ( 10.029 -0.776 13.818) 17.092 15.668 ( 1.741 -0.859 -21.151) 21.240 15.821 ( -12.264 -1.209 -3.807) 12.898 16.373 ( 6.742 -6.724 9.050) 13.137 16.498 ( 3.572 -1.491 7.715) 8.631 17.199 ( 12.265 -1.911 -7.905) 14.716 17.570 ( -16.831 -0.714 -0.463) 16.853 19.359 ( 16.037 2.756 -10.215) 19.213 19.543 ( -18.375 4.534 4.701) 19.501 20.783 ( -10.498 -1.168 7.576) 12.998 20.915 ( 3.612 0.080 -10.757) 11.348 21.669 ( 13.200 4.937 5.160) 15.009 22.312 ( -18.848 2.129 -12.928) 22.955 ======================= Grid point 332 (174/201) ======================= q-point: ( 0.12 0.12 -0.55) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -2.648 -0.000 0.802) 2.766 2.570 ( 2.441 0.000 -0.298) 2.459 2.742 ( 3.507 0.000 2.501) 4.308 2.757 ( 5.500 0.000 -4.960) 7.406 2.987 ( -2.412 -0.000 -7.989) 8.345 3.054 ( -1.335 -0.000 4.867) 5.047 3.635 ( 1.988 0.000 -7.588) 7.844 3.678 ( 1.554 0.000 1.292) 2.021 4.689 ( -4.963 -0.000 -5.095) 7.113 4.984 ( 5.075 0.000 6.230) 8.036 5.469 ( -10.578 -0.000 8.524) 13.585 5.736 ( 2.435 0.000 -1.102) 2.673 6.279 ( 0.744 0.000 7.759) 7.795 6.279 ( -0.331 0.000 9.143) 9.148 7.174 ( 0.178 0.000 8.997) 8.999 7.177 ( 1.518 0.000 -3.165) 3.510 7.388 ( -10.002 -0.000 2.515) 10.314 7.460 ( 2.289 0.000 -1.743) 2.877 7.470 ( 3.131 0.000 -2.002) 3.716 7.659 ( -10.690 -0.000 14.243) 17.808 7.849 ( 7.352 0.000 -9.713) 12.182 8.314 ( 13.795 0.000 -19.986) 24.284 9.044 ( -4.579 -0.000 -8.398) 9.565 9.164 ( -0.559 -0.000 2.069) 2.144 9.808 ( -16.404 -0.000 8.538) 18.493 10.325 ( 0.956 0.000 1.688) 1.940 10.426 ( -1.404 -0.000 8.013) 8.135 10.451 ( 5.212 0.000 -15.331) 16.193 10.916 ( -7.451 -0.000 4.930) 8.934 11.242 ( 4.128 0.000 -14.370) 14.952 11.564 ( 1.691 0.000 -3.602) 3.979 11.672 ( 5.611 0.000 5.801) 8.070 12.836 ( -9.249 -0.000 -0.483) 9.262 13.130 ( 1.375 0.000 0.911) 1.649 13.374 ( -0.455 -0.000 8.089) 8.102 13.534 ( 7.482 0.000 -4.732) 8.853 13.585 ( -0.857 -0.000 7.714) 7.761 13.691 ( 4.421 0.000 -1.046) 4.543 13.965 ( -17.970 -0.000 0.869) 17.991 14.629 ( 3.873 0.000 3.637) 5.313 15.002 ( -10.226 -0.000 -18.336) 20.995 15.245 ( -9.637 -0.000 24.372) 26.208 15.423 ( -2.200 -0.000 -19.920) 20.041 15.867 ( 7.051 0.000 15.455) 16.987 16.535 ( 0.233 0.000 -7.667) 7.670 16.604 ( -8.406 -0.000 -15.672) 17.784 17.018 ( 2.262 0.000 7.119) 7.470 17.788 ( 11.577 0.000 -4.677) 12.486 19.043 ( -5.941 -0.000 11.833) 13.241 19.779 ( 12.290 0.000 -8.594) 14.996 20.716 ( -3.577 -0.000 9.158) 9.832 21.111 ( 20.228 0.000 -10.414) 22.751 21.525 ( -15.304 -0.000 -2.208) 15.463 22.263 ( 11.427 0.000 15.995) 19.657 ======================= Grid point 333 (175/201) ======================= q-point: ( 0.25 0.12 -0.55) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( -2.174 -0.527 -1.393) 2.635 2.604 ( -0.429 -1.635 -1.032) 1.981 2.769 ( 1.938 1.142 -0.057) 2.250 2.829 ( 7.750 -2.435 -5.854) 10.013 2.913 ( -0.386 2.327 -3.353) 4.099 3.021 ( -1.905 3.637 1.887) 4.519 3.592 ( 2.650 4.685 -8.188) 9.799 3.642 ( 0.657 6.655 2.661) 7.198 4.668 ( -2.604 -7.194 -6.519) 10.052 5.082 ( 2.280 -1.772 6.932) 7.509 5.374 ( -9.823 1.482 6.863) 12.075 5.757 ( 3.565 1.383 -0.574) 3.867 6.351 ( 0.898 -2.209 10.782) 11.043 6.399 ( 1.422 -8.073 7.960) 11.426 7.147 ( 1.087 6.052 -4.129) 7.407 7.192 ( 1.282 2.131 -1.466) 2.887 7.284 ( -12.203 -1.715 16.134) 20.301 7.432 ( 0.663 3.329 -3.601) 4.949 7.491 ( 6.659 2.440 -7.619) 10.409 7.679 ( -8.212 -5.521 11.514) 15.182 7.851 ( 5.448 5.358 -7.632) 10.800 8.402 ( 9.713 -5.243 -11.691) 16.078 8.812 ( -5.580 14.587 -7.949) 17.524 9.108 ( 1.861 4.284 -4.980) 6.828 9.652 ( -12.882 2.625 4.700) 13.962 10.175 ( -1.785 18.796 1.589) 18.947 10.293 ( -6.338 0.294 2.904) 6.977 10.701 ( 3.105 -19.449 -5.799) 20.532 11.024 ( -3.996 -17.596 2.274) 18.187 11.190 ( -2.132 -0.121 -13.419) 13.588 11.618 ( 5.237 -4.314 -3.100) 7.460 11.759 ( 6.172 1.878 4.356) 7.784 12.743 ( -7.989 -1.800 0.430) 8.200 13.113 ( -0.800 3.071 1.148) 3.375 13.296 ( 0.694 12.795 4.252) 13.501 13.457 ( 4.653 10.282 0.068) 11.286 13.723 ( -8.929 1.409 6.093) 10.901 13.773 ( -0.611 -8.782 -3.781) 9.580 13.866 ( 1.818 -9.609 3.881) 10.522 14.633 ( -5.571 -1.303 0.268) 5.728 14.844 ( -7.253 -4.714 -16.449) 18.585 15.236 ( -6.129 1.643 18.864) 19.902 15.369 ( 1.747 -3.800 -11.579) 12.312 15.939 ( -6.034 5.479 17.762) 19.542 16.370 ( -1.434 5.642 -11.573) 12.955 16.512 ( -2.378 -1.880 -12.036) 12.412 17.101 ( 7.760 1.902 2.621) 8.408 17.821 ( 0.505 0.323 -4.244) 4.286 19.123 ( 6.220 -0.709 9.690) 11.536 19.872 ( 7.420 -2.638 -5.773) 9.764 20.724 ( -3.339 0.009 8.732) 9.348 21.324 ( 25.173 0.713 -9.173) 26.801 21.369 ( -12.604 -1.489 -0.750) 12.713 22.493 ( 7.691 -2.920 16.762) 18.672 ======================= Grid point 334 (176/201) ======================= q-point: ( 0.38 0.12 -0.55) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( -0.762 -2.234 -3.745) 4.427 2.564 ( -4.508 1.478 -0.633) 4.786 2.751 ( -0.902 2.711 0.478) 2.896 2.885 ( 2.699 2.576 0.127) 3.734 2.929 ( 7.297 -2.993 -6.693) 10.344 2.969 ( -0.709 1.580 1.998) 2.643 3.442 ( 0.647 11.941 -3.577) 12.482 3.587 ( 2.235 4.390 -0.420) 4.944 4.758 ( 0.614 -11.766 -8.181) 14.344 5.131 ( -3.708 2.803 14.051) 14.800 5.311 ( -5.296 -3.859 -0.106) 6.553 5.757 ( 3.939 4.279 -1.547) 6.018 6.482 ( 2.019 -5.608 9.950) 11.598 6.618 ( 1.520 -12.735 7.359) 14.787 6.992 ( -3.339 9.271 -0.252) 9.858 7.157 ( -1.515 2.414 1.915) 3.434 7.305 ( -7.492 -3.194 11.806) 14.343 7.357 ( 1.050 6.122 2.208) 6.592 7.490 ( 10.659 2.443 -14.303) 18.004 7.645 ( -3.712 6.928 -1.447) 7.992 7.748 ( -2.700 6.586 0.510) 7.136 8.434 ( 1.346 14.803 -15.323) 21.348 8.607 ( -2.210 -9.843 8.461) 13.166 9.090 ( 6.261 -1.591 -12.014) 13.640 9.518 ( -5.364 1.264 -1.738) 5.778 9.857 ( -5.171 19.399 3.060) 20.309 10.275 ( -6.960 -4.752 6.403) 10.584 10.981 ( -3.851 -20.490 -7.976) 22.322 11.071 ( 2.483 0.664 -12.679) 12.937 11.272 ( -2.867 -16.295 2.570) 16.743 11.691 ( 1.328 4.223 4.392) 6.236 11.822 ( 6.315 -2.995 -4.965) 8.573 12.712 ( -3.465 -1.102 1.278) 3.854 13.051 ( -1.123 2.746 -1.851) 3.497 13.128 ( -2.287 9.523 3.458) 10.386 13.340 ( 2.684 12.048 2.247) 12.547 13.595 ( -7.756 -1.767 -0.835) 7.998 13.936 ( 5.182 -5.733 1.518) 7.875 14.038 ( 3.702 -4.135 3.736) 6.691 14.594 ( -5.320 -3.057 -0.729) 6.178 14.771 ( -9.689 -9.725 -11.699) 18.037 15.313 ( -5.719 -4.870 22.211) 23.447 15.420 ( 9.768 -3.016 -11.484) 15.375 15.770 ( -14.824 9.073 12.506) 21.412 16.249 ( 2.779 7.741 -7.843) 11.365 16.453 ( -1.755 -1.883 -9.057) 9.415 17.156 ( 6.966 3.419 0.062) 7.760 17.778 ( -4.318 -1.031 -3.508) 5.658 19.267 ( 11.217 1.607 5.865) 12.759 19.965 ( 4.381 -3.399 -2.611) 6.129 20.731 ( -3.070 -0.180 6.894) 7.549 21.242 ( -13.508 -1.697 1.316) 13.677 21.558 ( 27.348 3.601 -8.770) 28.944 22.679 ( 2.051 -2.742 13.071) 13.512 ======================= Grid point 335 (177/201) ======================= q-point: (-0.50 0.12 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 0.524 -1.856 -3.537) 4.028 2.499 ( -4.270 -0.381 1.201) 4.453 2.698 ( 0.299 3.446 2.138) 4.067 2.886 ( 3.013 2.411 -0.393) 3.879 2.958 ( 0.053 1.124 1.686) 2.027 2.986 ( -0.514 -1.385 -3.834) 4.109 3.287 ( 4.349 8.497 -2.650) 9.906 3.547 ( 0.684 3.134 -0.985) 3.355 4.922 ( 3.793 -11.695 -7.046) 14.170 5.086 ( -4.700 6.264 16.428) 18.199 5.352 ( -4.091 -8.893 -2.740) 10.165 5.699 ( 2.561 7.071 -3.328) 8.224 6.656 ( 1.916 -7.002 9.710) 12.124 6.802 ( -6.419 4.417 6.831) 10.362 6.873 ( 3.055 -6.334 2.844) 7.585 7.108 ( -1.750 3.756 5.299) 6.727 7.261 ( 0.913 4.345 -0.764) 4.505 7.375 ( -3.388 0.375 9.772) 10.350 7.432 ( -2.034 6.741 -9.482) 11.810 7.530 ( 3.229 -0.263 -3.170) 4.532 7.618 ( 3.740 6.510 -2.540) 7.926 8.150 ( -4.087 9.913 -8.146) 13.466 8.856 ( 1.296 -15.682 6.679) 17.095 9.114 ( 3.599 1.140 -7.145) 8.081 9.467 ( 1.900 2.278 -11.889) 12.253 9.554 ( -7.019 9.963 3.399) 12.653 10.340 ( -2.817 -7.352 5.439) 9.569 10.955 ( -4.813 -4.082 -10.644) 12.374 11.267 ( 3.495 -13.937 -4.917) 15.186 11.415 ( -5.508 -7.770 -2.973) 9.978 11.624 ( 2.436 6.643 7.558) 10.353 11.906 ( 3.592 -1.808 -4.206) 5.819 12.668 ( 1.776 5.768 0.989) 6.116 12.981 ( -4.522 -1.023 -3.971) 6.104 13.081 ( -0.160 0.256 5.535) 5.543 13.228 ( 2.893 7.687 1.055) 8.280 13.578 ( -1.626 -3.671 -1.555) 4.306 14.045 ( 2.441 -0.406 2.000) 3.182 14.110 ( 4.524 1.147 1.424) 4.879 14.596 ( -4.293 -3.595 4.211) 7.006 14.793 ( -5.393 -12.057 -6.966) 14.933 15.430 ( -6.299 -6.073 13.360) 15.970 15.482 ( -5.338 4.281 -2.511) 7.289 15.631 ( 4.135 -3.217 8.593) 10.064 16.096 ( 2.265 9.889 -8.885) 13.485 16.420 ( -3.532 -2.146 -4.529) 6.131 17.162 ( 4.883 4.514 -1.555) 6.829 17.721 ( -6.574 -2.040 -2.848) 7.449 19.387 ( 12.966 4.175 2.051) 13.775 20.022 ( 0.958 -0.420 -0.664) 1.239 20.731 ( -3.447 -0.629 4.697) 5.860 21.116 ( -12.882 -1.205 1.435) 13.018 21.743 ( 25.084 7.143 -6.991) 27.002 22.743 ( -4.687 -0.557 6.371) 7.929 ======================= Grid point 336 (178/201) ======================= q-point: (-0.38 0.12 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 0.180 -0.779 2.566) 2.688 2.497 ( -3.701 -3.334 3.934) 6.347 2.686 ( 1.739 2.381 1.633) 3.371 2.875 ( 2.597 3.265 0.478) 4.199 2.899 ( -3.468 3.011 -4.100) 6.157 2.968 ( -0.840 -0.733 0.307) 1.156 3.290 ( 6.876 -0.619 -3.201) 7.610 3.507 ( -0.887 0.447 -1.748) 2.011 5.003 ( 1.260 9.165 13.942) 16.732 5.121 ( 1.042 -9.924 -2.231) 10.225 5.432 ( -2.934 -10.019 -3.882) 11.138 5.574 ( -0.458 8.782 -3.792) 9.577 6.636 ( -4.661 10.846 6.595) 13.523 6.806 ( 1.593 -0.460 8.614) 8.772 6.961 ( -6.627 -1.222 10.928) 12.839 7.101 ( 1.736 8.981 -1.674) 9.299 7.180 ( -2.242 -5.244 -0.127) 5.704 7.257 ( 1.595 1.645 -7.030) 7.394 7.499 ( 0.640 -7.421 6.714) 10.028 7.536 ( -0.545 -0.538 7.516) 7.555 7.723 ( 10.413 -8.611 -6.784) 15.119 7.977 ( -3.804 1.664 -6.020) 7.313 9.022 ( -3.793 9.211 3.449) 10.541 9.080 ( 2.813 0.712 -2.168) 3.622 9.305 ( 0.902 -3.465 -5.281) 6.380 9.562 ( 0.127 -9.258 -10.211) 13.784 10.475 ( 2.660 -8.020 1.509) 8.583 10.924 ( -3.689 -4.310 -9.382) 10.963 11.275 ( -6.228 5.722 8.033) 11.664 11.520 ( 3.128 -11.195 -8.121) 14.179 11.667 ( 5.483 1.520 3.578) 6.721 11.876 ( -1.230 6.897 1.241) 7.115 12.653 ( 4.454 0.584 0.376) 4.508 12.967 ( -3.516 -4.994 -2.087) 6.454 13.073 ( -2.442 2.285 5.745) 6.647 13.211 ( 4.158 1.141 -3.360) 5.467 13.649 ( 3.367 -6.054 -2.065) 7.229 14.022 ( -2.929 1.372 -2.557) 4.123 14.146 ( 6.355 5.784 5.745) 10.337 14.633 ( -4.528 -3.428 6.412) 8.565 14.912 ( 0.320 -10.328 0.351) 10.339 15.269 ( -5.574 9.065 0.683) 10.664 15.565 ( -2.091 -10.589 1.778) 10.939 15.776 ( -2.049 -0.537 5.428) 5.827 16.002 ( 9.643 1.853 -3.918) 10.572 16.378 ( -6.109 -2.639 -2.370) 7.064 17.138 ( 4.903 4.051 -2.364) 6.785 17.648 ( -9.308 -2.281 -2.397) 9.878 19.467 ( 14.278 6.568 -1.534) 15.791 19.967 ( -5.525 4.906 0.593) 7.413 20.726 ( -3.929 -1.651 4.066) 5.890 21.000 ( -9.073 -0.471 -1.067) 9.147 21.855 ( 21.158 9.902 -3.967) 23.695 22.652 ( -11.316 2.247 -0.878) 11.571 ======================= Grid point 337 (179/201) ======================= q-point: (-0.25 0.12 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( -3.547 -1.909 10.499) 11.245 2.518 ( -1.964 -0.674 6.032) 6.380 2.655 ( -0.796 3.852 2.143) 4.480 2.809 ( 0.260 1.821 -6.279) 6.543 2.875 ( 1.623 1.221 2.248) 3.030 2.985 ( 0.275 -3.599 -4.328) 5.635 3.383 ( 3.728 -3.672 0.056) 5.233 3.519 ( 1.484 -5.066 -6.197) 8.141 4.948 ( 1.787 10.160 13.399) 16.910 5.233 ( 1.235 -2.014 -4.096) 4.729 5.413 ( -3.464 5.014 2.465) 6.574 5.536 ( -0.666 -9.678 -6.893) 11.901 6.460 ( -3.781 11.111 7.939) 14.170 6.689 ( -2.968 13.762 -0.263) 14.081 7.015 ( -6.774 -2.410 16.731) 18.211 7.040 ( -1.015 -3.653 7.237) 8.170 7.237 ( -1.527 -0.585 1.314) 2.098 7.280 ( 7.230 -3.952 -12.138) 14.670 7.576 ( -1.150 -0.146 9.027) 9.101 7.675 ( 4.029 -7.322 -3.687) 9.134 7.896 ( -10.683 -9.782 11.303) 18.373 8.065 ( 15.893 -15.034 -16.572) 27.445 8.776 ( -8.353 14.736 9.163) 19.259 8.980 ( 6.502 7.404 -12.605) 16.000 9.536 ( 3.459 -18.529 -2.905) 19.072 9.664 ( -0.992 -12.234 -7.841) 14.565 10.627 ( 5.730 -5.018 -2.065) 7.892 10.826 ( -6.740 3.954 -6.644) 10.256 11.251 ( 1.530 1.647 14.615) 14.787 11.583 ( 0.594 5.233 1.885) 5.594 11.696 ( 3.652 4.776 -5.042) 7.846 11.719 ( -1.896 6.862 -2.060) 7.412 12.753 ( 3.206 -6.237 2.348) 7.395 12.989 ( -2.983 -6.249 -6.735) 9.660 13.071 ( -4.230 -1.905 9.434) 10.513 13.215 ( 4.269 1.447 -5.289) 6.950 13.784 ( 3.654 -5.766 -2.147) 7.156 13.936 ( -4.674 1.926 -2.979) 5.868 14.176 ( 10.130 6.315 8.264) 14.519 14.607 ( -9.983 0.152 1.239) 10.060 15.073 ( 1.094 -2.130 6.413) 6.846 15.156 ( 4.339 0.231 4.528) 6.276 15.686 ( -3.231 3.178 -6.189) 7.671 15.698 ( -1.018 -7.430 -2.112) 7.792 16.166 ( 8.723 -5.251 3.163) 10.662 16.357 ( -5.974 -6.253 0.448) 8.660 17.166 ( 9.599 1.138 -1.495) 9.781 17.535 ( -12.752 -1.515 -3.007) 13.189 19.520 ( 16.033 7.551 -4.788) 18.358 19.757 ( -13.914 8.778 2.703) 16.672 20.732 ( -4.750 -1.763 6.327) 8.106 20.917 ( -1.416 -0.050 -6.723) 6.871 21.913 ( 16.803 10.676 0.836) 19.925 22.417 ( -16.201 4.672 -6.258) 17.985 ======================= Grid point 338 (180/201) ======================= q-point: (-0.12 0.12 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -6.825 0.801 11.130) 13.081 2.593 ( 7.020 0.801 -1.917) 7.321 2.608 ( -2.700 1.006 9.160) 9.602 2.770 ( 1.311 1.144 -5.358) 5.633 2.905 ( -0.782 -2.542 4.980) 5.646 3.024 ( 0.415 -4.680 -7.031) 8.456 3.481 ( 1.266 -5.374 2.189) 5.939 3.595 ( 2.552 -6.337 -9.312) 11.549 4.903 ( 2.289 7.901 10.763) 13.546 5.085 ( -2.270 11.177 -7.777) 13.804 5.450 ( -5.756 -6.938 10.430) 13.786 5.625 ( 2.667 -6.035 -7.041) 9.649 6.321 ( -3.675 8.380 10.230) 13.725 6.462 ( -1.974 11.092 -1.683) 11.391 7.049 ( -2.822 0.216 14.719) 14.988 7.168 ( -1.352 -6.280 7.514) 9.886 7.238 ( -1.374 -2.358 0.417) 2.761 7.343 ( 6.363 -2.466 -8.891) 11.208 7.574 ( -8.343 0.588 12.101) 14.710 7.770 ( 6.744 -3.870 -11.975) 14.278 7.939 ( -11.227 -2.722 8.397) 14.282 8.313 ( 16.175 0.738 -23.334) 28.402 8.677 ( -5.672 -10.634 16.363) 20.323 8.952 ( 6.813 -3.248 -11.555) 13.802 9.799 ( -0.789 -13.107 -1.609) 13.229 9.846 ( 0.810 -20.045 -4.521) 20.565 10.590 ( -11.249 8.163 4.067) 14.482 10.726 ( 11.360 5.767 -8.883) 15.530 11.322 ( 1.489 11.714 13.839) 18.192 11.421 ( -2.589 8.872 9.040) 12.928 11.573 ( 4.249 7.775 -6.666) 11.088 11.649 ( -0.854 0.771 -11.937) 11.992 12.908 ( 1.149 -8.155 4.574) 9.420 12.999 ( -5.058 -3.791 -3.158) 7.066 13.139 ( -2.248 -8.160 3.862) 9.303 13.236 ( 4.666 -1.766 -4.465) 6.695 13.803 ( -3.560 3.765 2.038) 5.568 13.840 ( -0.304 4.799 -1.198) 4.956 14.313 ( 10.320 -0.089 5.213) 11.562 14.424 ( -10.106 3.297 -5.040) 11.764 15.109 ( -2.724 0.313 17.676) 17.887 15.349 ( 7.707 -6.140 1.139) 9.920 15.537 ( -9.072 2.338 -0.546) 9.385 15.715 ( 2.755 1.047 -14.263) 14.565 16.388 ( 9.465 -8.581 3.560) 13.263 16.431 ( -2.601 -9.176 -0.578) 9.555 17.286 ( -2.727 -1.501 3.183) 4.452 17.392 ( 2.956 0.013 -7.272) 7.850 19.448 ( -19.172 8.898 6.072) 21.991 19.582 ( 17.620 5.922 -7.562) 20.068 20.724 ( -5.849 -0.291 8.291) 10.150 20.910 ( 7.129 -0.703 -10.718) 12.892 21.955 ( 9.312 7.913 7.162) 14.164 22.103 ( -13.996 6.434 -8.167) 17.435 ======================= Grid point 341 (181/201) ======================= q-point: ( 0.25 0.25 -0.55) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -1.559 -0.000 -4.934) 5.174 2.565 ( -3.003 -0.000 -2.204) 3.725 2.803 ( 3.399 0.000 -6.030) 6.922 2.841 ( -0.134 -0.000 2.919) 2.922 2.925 ( 2.056 0.000 -0.557) 2.130 3.038 ( 2.668 0.000 -5.691) 6.285 3.631 ( 5.073 0.000 -7.741) 9.255 3.715 ( -0.026 -0.000 2.382) 2.382 4.566 ( -0.496 -0.000 -4.997) 5.021 5.123 ( 2.658 0.000 0.192) 2.665 5.307 ( -11.129 -0.000 11.294) 15.856 5.798 ( 2.956 0.000 -0.756) 3.051 6.393 ( 0.613 0.000 11.561) 11.578 6.424 ( 2.592 0.000 10.074) 10.402 7.163 ( -11.958 -0.000 7.279) 13.999 7.219 ( 2.473 0.000 0.257) 2.486 7.270 ( 1.134 0.000 6.275) 6.376 7.406 ( 5.021 0.000 -17.211) 17.928 7.571 ( 7.354 0.000 -5.346) 9.092 7.606 ( -8.077 -0.000 16.643) 18.499 7.946 ( 5.222 0.000 -4.589) 6.951 8.388 ( 7.581 0.000 -12.191) 14.356 8.813 ( -4.569 -0.000 -12.955) 13.737 9.098 ( -4.148 -0.000 -3.652) 5.527 9.534 ( -15.336 -0.000 10.235) 18.438 10.239 ( -3.878 -0.000 -7.356) 8.316 10.407 ( -7.450 -0.000 6.554) 9.922 10.408 ( -1.282 -0.000 -7.604) 7.712 10.846 ( -2.695 -0.000 6.144) 6.709 11.114 ( 1.232 0.000 -15.420) 15.469 11.637 ( 6.711 0.000 -2.292) 7.092 11.871 ( 6.202 0.000 2.532) 6.699 12.629 ( -7.889 -0.000 -0.291) 7.894 13.098 ( -3.276 -0.000 -3.173) 4.560 13.481 ( 2.392 0.000 6.213) 6.658 13.551 ( -14.453 -0.000 1.318) 14.513 13.674 ( 7.471 0.000 -3.723) 8.347 13.699 ( -1.706 -0.000 12.661) 12.775 13.859 ( 9.632 0.000 2.086) 9.855 14.505 ( -4.417 -0.000 -15.004) 15.640 14.624 ( -12.623 -0.000 -8.210) 15.059 15.239 ( -11.230 -0.000 21.594) 24.340 15.386 ( 12.876 0.000 -9.874) 16.227 15.920 ( -18.359 -0.000 12.756) 22.355 16.371 ( 4.061 0.000 -5.004) 6.445 16.425 ( -0.884 -0.000 -10.833) 10.870 17.209 ( 7.087 0.000 -0.751) 7.127 17.756 ( -6.254 -0.000 -3.386) 7.111 19.310 ( 15.574 0.000 7.234) 17.172 19.896 ( 5.586 0.000 -4.387) 7.103 20.727 ( -4.431 -0.000 9.142) 10.160 21.220 ( -10.813 -0.000 0.099) 10.814 21.614 ( 30.685 0.000 -9.811) 32.216 22.638 ( 2.779 0.000 19.468) 19.666 ======================= Grid point 342 (182/201) ======================= q-point: ( 0.38 0.25 -0.55) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( 0.188 -1.790 -6.680) 6.918 2.503 ( -5.816 -0.315 -1.862) 6.115 2.766 ( -1.992 2.331 -0.121) 3.069 2.873 ( -2.285 -3.958 0.758) 4.633 2.954 ( 3.281 0.660 0.497) 3.384 3.041 ( 7.902 2.808 -8.414) 11.880 3.602 ( 4.728 7.564 -5.333) 10.393 3.686 ( 0.734 4.597 1.820) 4.998 4.597 ( 2.071 -6.672 -5.171) 8.691 5.136 ( -2.097 -3.889 -6.334) 7.723 5.254 ( -7.272 2.978 17.284) 18.986 5.814 ( 2.071 0.836 -3.404) 4.071 6.496 ( 0.200 -3.016 14.000) 14.323 6.553 ( 4.402 -5.810 7.621) 10.546 7.059 ( -8.715 3.120 7.987) 12.226 7.187 ( -2.811 4.588 5.231) 7.504 7.271 ( 0.029 1.352 -0.871) 1.609 7.438 ( 9.551 -0.598 -8.777) 12.985 7.592 ( 7.086 3.504 -8.028) 11.266 7.657 ( -3.654 -2.561 10.779) 11.666 7.845 ( -0.197 11.801 -5.942) 13.215 8.490 ( 1.777 -8.926 0.912) 9.146 8.569 ( -3.280 14.163 -14.228) 20.341 9.042 ( -0.709 -2.944 -8.912) 9.412 9.431 ( -9.829 -0.538 4.760) 10.934 10.059 ( -10.323 15.723 1.324) 18.856 10.176 ( -2.732 -0.133 -2.004) 3.391 10.585 ( -7.539 -17.918 -5.789) 20.284 10.971 ( -0.177 -11.147 -0.761) 11.175 11.079 ( 1.892 -4.540 -8.070) 9.451 11.732 ( 5.848 -2.592 -1.214) 6.511 11.901 ( 3.897 4.706 -0.041) 6.110 12.599 ( -4.242 -6.419 0.211) 7.697 13.010 ( -4.515 1.627 -6.763) 8.293 13.353 ( -6.385 12.122 9.200) 16.503 13.475 ( 0.192 0.405 -1.579) 1.641 13.568 ( 1.029 12.663 4.895) 13.615 13.909 ( 4.190 -9.348 3.630) 10.868 14.068 ( 9.665 -6.436 4.232) 12.359 14.407 ( -6.136 -8.607 -21.318) 23.795 14.493 ( -7.816 -2.302 1.574) 8.298 15.245 ( -9.552 -2.683 17.866) 20.436 15.511 ( 13.194 -1.320 -5.361) 14.303 15.719 ( -18.670 3.471 7.856) 20.550 16.323 ( -0.121 4.374 -9.018) 10.023 16.401 ( 0.751 0.671 -0.160) 1.020 17.262 ( 5.445 1.542 -2.045) 6.017 17.667 ( -7.146 -1.085 -3.065) 7.851 19.512 ( 16.996 3.350 4.353) 17.862 19.960 ( 4.737 -2.486 -2.060) 5.732 20.722 ( -4.833 -0.243 8.004) 9.353 21.101 ( -9.993 -0.002 -0.157) 9.994 21.904 ( 30.958 3.199 -9.101) 32.426 22.740 ( -3.366 0.088 17.305) 17.629 ======================= Grid point 343 (183/201) ======================= q-point: ( 0.50 0.25 -0.55) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 2.305 -3.358 -7.278) 8.340 2.433 ( -6.545 -0.940 0.459) 6.628 2.726 ( -1.863 0.210 2.809) 3.377 2.895 ( -2.708 -2.583 -0.752) 3.817 2.972 ( 2.178 1.735 0.031) 2.784 3.034 ( 5.390 4.214 -4.581) 8.233 3.489 ( 4.821 11.257 -1.202) 12.305 3.624 ( 0.825 6.025 -0.595) 6.111 4.748 ( 4.431 -11.960 -4.832) 13.639 5.135 ( -7.198 -7.923 -5.098) 11.856 5.238 ( -1.732 4.901 17.241) 18.008 5.772 ( 0.850 3.641 -6.682) 7.657 6.636 ( -0.641 -5.370 15.007) 15.952 6.743 ( 2.985 -7.448 5.694) 9.839 6.963 ( -1.305 6.016 5.339) 8.149 7.119 ( -6.402 1.681 8.138) 10.489 7.265 ( 0.449 -1.565 -2.723) 3.173 7.462 ( 0.740 7.481 -7.408) 10.554 7.522 ( 2.357 9.604 2.509) 10.202 7.616 ( 10.290 5.613 -11.749) 16.596 7.704 ( -3.091 3.449 4.889) 6.734 8.212 ( -7.983 14.301 -7.642) 18.074 8.698 ( 2.197 -12.848 5.920) 14.316 9.097 ( 6.173 -6.883 -11.881) 15.054 9.363 ( -5.785 -0.949 -1.531) 6.059 9.706 ( -9.216 16.423 0.141) 18.833 10.217 ( -1.417 -7.597 2.567) 8.143 10.672 ( -8.823 -13.298 -9.410) 18.527 11.118 ( 6.370 -10.168 -8.532) 14.723 11.191 ( -5.248 -11.379 -0.142) 12.532 11.760 ( 0.043 4.554 5.151) 6.875 11.905 ( 5.719 -0.934 -5.279) 7.839 12.688 ( -0.256 -6.284 1.390) 6.441 12.908 ( -2.918 0.305 -6.224) 6.881 13.193 ( -0.581 9.789 8.229) 12.802 13.409 ( 0.730 12.069 1.809) 12.225 13.497 ( 0.038 -3.261 1.073) 3.433 14.024 ( -1.184 -1.691 -4.579) 5.023 14.238 ( 8.583 -1.766 1.851) 8.956 14.469 ( -6.263 -16.674 2.671) 18.011 14.503 ( 0.606 -4.340 -3.113) 5.376 15.277 ( -8.843 -5.059 6.914) 12.313 15.504 ( -10.377 3.867 7.198) 13.208 15.671 ( 7.246 -3.826 -1.057) 8.262 16.200 ( 2.206 6.911 -7.438) 10.390 16.367 ( -3.486 2.226 1.783) 4.504 17.271 ( 4.559 3.435 -2.099) 6.082 17.586 ( -7.686 -1.585 -3.121) 8.446 19.653 ( 16.020 5.668 1.764) 17.084 20.025 ( 1.626 -0.789 -0.394) 1.849 20.708 ( -4.778 -0.103 6.771) 8.287 20.988 ( -8.206 -0.053 -1.374) 8.320 22.123 ( 27.698 7.537 -7.501) 29.669 22.726 ( -9.679 2.396 11.356) 15.112 ======================= Grid point 344 (184/201) ======================= q-point: (-0.38 0.25 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -5.420 -2.649 2.844) 6.670 2.412 ( 1.688 -5.000 -3.445) 6.302 2.738 ( -0.818 0.239 4.411) 4.493 2.872 ( -0.909 0.746 -4.329) 4.486 2.960 ( 1.574 2.263 0.227) 2.766 2.993 ( 1.376 4.543 -0.750) 4.806 3.411 ( 6.935 6.913 -1.643) 9.929 3.523 ( -2.210 5.436 -0.993) 5.951 4.969 ( 3.315 -12.372 -1.036) 12.850 5.143 ( -5.872 -5.303 0.697) 7.943 5.265 ( 0.342 0.507 11.045) 11.062 5.658 ( -0.003 6.648 -8.742) 10.983 6.762 ( -3.779 0.243 13.723) 14.236 6.818 ( -1.888 1.368 11.663) 11.894 6.986 ( 5.834 -3.215 -2.430) 7.091 7.082 ( -6.746 -0.307 10.386) 12.388 7.183 ( -4.903 9.486 -11.303) 15.549 7.301 ( 4.761 0.678 -6.499) 8.085 7.485 ( -1.193 3.327 9.108) 9.770 7.598 ( 0.014 3.904 10.040) 10.772 7.726 ( 10.377 -2.144 -12.705) 16.543 7.930 ( -6.231 5.504 -6.721) 10.691 8.971 ( 2.036 -15.002 7.322) 16.817 9.160 ( 4.529 6.987 -0.851) 8.370 9.339 ( -1.953 -9.379 -12.350) 15.630 9.385 ( -4.360 13.311 -5.096) 14.905 10.372 ( 1.212 -10.210 4.574) 11.253 10.698 ( -6.152 -10.043 -10.782) 15.967 11.228 ( -6.318 -4.897 3.453) 8.707 11.335 ( 5.214 -13.741 -8.786) 17.122 11.756 ( 1.665 1.024 6.112) 6.417 11.930 ( 1.705 1.606 -3.916) 4.563 12.748 ( 3.146 1.039 1.124) 3.498 12.877 ( -1.038 -1.843 -3.388) 3.994 13.125 ( -2.747 5.359 9.264) 11.050 13.284 ( 2.626 5.758 -3.030) 7.017 13.586 ( 2.200 -5.914 2.487) 6.782 13.939 ( -5.387 -0.134 -9.781) 11.167 14.361 ( 7.360 1.842 6.362) 9.901 14.546 ( -3.349 -2.681 7.075) 8.274 14.722 ( 2.361 -16.345 1.924) 16.626 15.190 ( -12.741 -2.089 -4.036) 13.527 15.515 ( 3.841 -3.171 6.688) 8.339 15.744 ( -2.294 -1.618 -2.481) 3.747 16.143 ( 9.057 4.579 -2.363) 10.420 16.284 ( -6.793 1.670 1.319) 7.118 17.260 ( 5.617 4.080 -0.713) 6.979 17.493 ( -8.854 -1.141 -3.535) 9.602 19.742 ( 14.756 6.883 -0.362) 16.286 19.974 ( -6.361 4.915 0.535) 8.056 20.700 ( -3.244 -0.394 7.191) 7.899 20.908 ( -3.196 -0.520 -4.838) 5.821 22.242 ( 21.253 10.980 -3.491) 24.176 22.569 ( -13.780 5.320 3.318) 15.139 ======================= Grid point 345 (185/201) ======================= q-point: (-0.25 0.25 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -7.041 -5.254 8.893) 12.501 2.500 ( 1.819 -4.132 0.230) 4.520 2.709 ( -3.945 2.822 4.592) 6.679 2.827 ( 4.947 3.635 -8.148) 10.202 2.930 ( -2.721 2.472 1.436) 3.947 2.963 ( 3.906 1.506 -1.804) 4.558 3.412 ( 1.734 1.982 -0.653) 2.713 3.449 ( 1.740 -1.152 -4.565) 5.019 5.072 ( -9.157 -2.166 11.205) 14.632 5.224 ( 7.834 -3.439 -0.586) 8.576 5.349 ( -0.773 -6.444 1.388) 6.637 5.490 ( -0.108 8.345 -8.182) 11.687 6.665 ( -1.731 12.726 10.449) 16.557 6.853 ( -1.469 13.167 -8.659) 15.827 6.898 ( -7.588 -6.042 16.991) 19.564 7.094 ( -4.620 -1.412 10.243) 11.325 7.161 ( 5.324 -6.219 -8.419) 11.743 7.284 ( 2.588 2.297 -1.840) 3.919 7.560 ( -1.525 -6.375 3.997) 7.678 7.617 ( -3.394 -1.480 11.641) 12.216 7.721 ( -6.007 -2.756 -2.549) 7.084 7.959 ( 12.255 -9.784 -14.028) 21.041 8.967 ( -4.871 15.987 6.409) 17.899 9.157 ( 8.569 11.465 -10.229) 17.593 9.282 ( -0.356 -16.749 2.639) 16.960 9.443 ( 2.015 -11.524 -12.895) 17.411 10.549 ( -3.476 -8.377 6.109) 10.935 10.720 ( 1.845 -6.377 -11.120) 12.951 11.273 ( -4.400 -5.552 11.669) 13.651 11.525 ( 5.853 -9.091 -11.211) 15.575 11.789 ( 1.725 2.827 2.649) 4.241 11.840 ( -2.260 7.894 -0.328) 8.218 12.781 ( 4.463 1.079 1.986) 5.002 12.859 ( -2.244 -1.924 -5.886) 6.587 13.075 ( -4.766 2.031 11.574) 12.681 13.251 ( 3.332 1.466 -6.467) 7.422 13.731 ( 1.527 -6.464 3.747) 7.625 13.840 ( -4.302 -1.771 -7.093) 8.483 14.427 ( 4.661 4.168 8.362) 10.442 14.531 ( -3.338 2.976 0.786) 4.540 14.984 ( -1.052 -11.133 6.577) 12.974 15.117 ( -3.256 -7.612 -2.502) 8.649 15.602 ( -7.340 0.597 4.220) 8.488 15.724 ( 10.293 -0.647 -8.059) 13.089 16.198 ( -7.001 -3.340 1.380) 7.878 16.229 ( 8.727 -0.532 -1.470) 8.866 17.286 ( 0.433 1.568 3.874) 4.202 17.389 ( -0.766 0.043 -6.329) 6.375 19.744 ( -14.416 9.757 2.494) 17.585 19.795 ( 13.531 7.509 -2.343) 15.651 20.716 ( -2.819 -0.122 8.155) 8.630 20.886 ( 4.828 -0.951 -9.085) 10.332 22.217 ( -9.092 9.079 6.952) 14.609 22.356 ( 7.817 10.388 -7.808) 15.165 ======================= Grid point 346 (186/201) ======================= q-point: (-0.12 0.25 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -5.841 -1.905 10.592) 12.245 2.594 ( 1.357 -6.114 3.762) 7.306 2.653 ( -2.484 1.715 2.688) 4.042 2.797 ( 5.868 2.914 -7.690) 10.102 2.880 ( -1.924 0.851 0.256) 2.119 2.976 ( 1.681 -0.028 -2.420) 2.946 3.417 ( -1.436 -5.144 -2.298) 5.814 3.503 ( 3.814 -3.114 -5.519) 7.397 5.028 ( -6.722 2.980 10.175) 12.554 5.217 ( 0.840 11.851 -9.108) 14.970 5.357 ( -2.462 -3.409 8.612) 9.584 5.523 ( 4.606 -8.015 -4.452) 10.261 6.494 ( -3.754 12.187 8.596) 15.379 6.641 ( 3.566 13.250 -1.826) 13.842 6.999 ( -8.284 -8.145 13.374) 17.715 7.140 ( -0.905 -3.735 7.045) 8.025 7.200 ( 0.376 -0.026 -2.173) 2.206 7.330 ( 6.014 -2.899 -7.631) 10.139 7.529 ( -9.182 0.832 8.397) 12.470 7.708 ( 2.518 -4.263 -6.715) 8.342 7.761 ( -9.779 -10.882 8.492) 16.917 8.227 ( 11.836 -16.443 -15.288) 25.381 8.722 ( -4.759 13.839 9.888) 17.662 9.045 ( 10.871 8.208 -14.529) 19.916 9.540 ( -1.334 -13.989 -0.948) 14.085 9.597 ( 2.222 -16.184 -4.385) 16.914 10.533 ( -11.108 0.248 4.634) 12.039 10.843 ( 10.936 -2.931 -6.011) 12.819 11.409 ( -1.352 -7.283 11.631) 13.790 11.540 ( -3.894 6.408 -3.187) 8.147 11.639 ( 0.061 10.336 -7.037) 12.505 11.762 ( 5.019 7.665 -1.653) 9.310 12.805 ( -4.189 -5.396 -1.029) 6.908 12.897 ( 2.345 -3.458 1.115) 4.324 13.079 ( -2.497 -1.556 8.107) 8.624 13.240 ( 2.748 -0.635 -7.233) 7.764 13.750 ( -7.251 -2.803 1.501) 7.918 13.881 ( 3.471 -1.192 1.878) 4.122 14.312 ( -10.408 6.687 -4.111) 13.037 14.542 ( 10.347 3.376 4.612) 11.820 15.068 ( -7.645 -5.640 12.487) 15.690 15.253 ( -1.195 -5.578 -7.832) 9.689 15.516 ( -4.121 -0.776 8.228) 9.235 15.756 ( 4.630 4.520 -7.951) 10.251 16.247 ( -0.901 -9.228 -4.533) 10.320 16.385 ( 9.790 -7.617 -1.287) 12.471 17.158 ( -12.569 2.732 0.240) 12.865 17.517 ( 16.195 -2.796 -1.860) 16.539 19.418 ( -16.966 10.981 5.423) 20.925 19.825 ( 12.507 6.519 -4.091) 14.685 20.715 ( -3.285 0.508 6.708) 7.486 20.956 ( 12.647 -1.196 -9.469) 15.844 21.912 ( -20.943 6.877 1.503) 22.095 22.337 ( 14.905 11.202 1.572) 18.712 ======================= Grid point 350 (187/201) ======================= q-point: ( 0.38 0.38 -0.55) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 1.847 0.000 -7.043) 7.281 2.414 ( -7.084 -0.000 -1.247) 7.193 2.760 ( -9.200 -0.000 7.993) 12.187 2.799 ( 2.376 0.000 -6.567) 6.984 3.005 ( 3.257 0.000 1.126) 3.446 3.110 ( 8.407 0.000 -9.807) 12.917 3.696 ( 6.984 0.000 -7.037) 9.914 3.726 ( -1.731 -0.000 3.062) 3.517 4.559 ( 3.328 0.000 -2.721) 4.299 5.004 ( -6.526 -0.000 -8.732) 10.901 5.318 ( -3.406 -0.000 17.949) 18.270 5.808 ( 0.330 0.000 -5.188) 5.198 6.571 ( 3.232 0.000 11.932) 12.362 6.603 ( 2.994 0.000 10.064) 10.500 7.006 ( -11.810 -0.000 14.979) 19.075 7.184 ( -3.926 -0.000 -0.328) 3.940 7.372 ( 2.994 0.000 1.919) 3.556 7.447 ( 10.645 0.000 -14.935) 18.340 7.648 ( 5.101 0.000 -7.756) 9.283 7.690 ( 1.306 0.000 16.080) 16.133 7.919 ( -2.712 -0.000 -6.319) 6.877 8.425 ( 1.370 0.000 0.106) 1.374 8.575 ( -0.149 -0.000 -18.470) 18.471 8.913 ( -6.880 -0.000 -5.710) 8.941 9.362 ( -7.999 -0.000 10.662) 13.329 10.013 ( -4.864 -0.000 -15.551) 16.294 10.228 ( -5.965 -0.000 -2.957) 6.658 10.265 ( -9.270 -0.000 5.230) 10.643 10.884 ( -0.318 -0.000 4.640) 4.651 11.029 ( 4.544 0.000 -13.253) 14.010 11.776 ( 4.895 0.000 0.424) 4.913 11.981 ( 1.586 0.000 0.362) 1.626 12.498 ( -1.418 -0.000 -1.014) 1.743 12.918 ( -4.955 -0.000 -10.639) 11.737 13.330 ( -8.114 -0.000 10.804) 13.511 13.619 ( 3.236 0.000 5.800) 6.641 13.775 ( 4.707 0.000 -4.174) 6.291 13.827 ( 0.298 0.000 11.228) 11.232 14.049 ( -0.694 -0.000 -7.418) 7.450 14.168 ( -5.069 -0.000 -10.477) 11.639 14.496 ( 8.954 0.000 -0.111) 8.955 15.207 ( -10.588 -0.000 15.995) 19.182 15.561 ( -17.198 -0.000 6.511) 18.390 15.608 ( 10.591 0.000 -6.604) 12.481 16.308 ( 1.913 0.000 -8.250) 8.469 16.422 ( -2.550 -0.000 3.925) 4.681 17.314 ( 4.182 0.000 -2.329) 4.787 17.565 ( -6.467 -0.000 -2.606) 6.973 19.756 ( 15.988 0.000 2.809) 16.233 19.987 ( 4.488 0.000 -0.973) 4.592 20.706 ( -4.655 -0.000 7.421) 8.760 20.991 ( -8.372 -0.000 -1.402) 8.488 22.244 ( 31.006 0.000 -9.459) 32.417 22.765 ( -9.582 -0.000 17.273) 19.753 ======================= Grid point 351 (188/201) ======================= q-point: ( 0.50 0.38 -0.55) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 4.129 -2.037 -6.743) 8.165 2.333 ( -7.847 -1.112 0.591) 7.948 2.705 ( -5.796 -0.667 7.331) 9.369 2.818 ( 0.272 -2.873 -3.832) 4.797 3.027 ( 1.587 1.858 0.930) 2.614 3.121 ( 5.207 2.828 -7.447) 9.516 3.665 ( 0.924 6.612 0.833) 6.728 3.709 ( 3.047 4.207 -3.806) 6.440 4.645 ( 4.725 -6.756 -1.040) 8.310 4.910 ( -8.109 -5.175 -7.244) 12.042 5.368 ( -1.333 2.329 17.215) 17.423 5.764 ( -0.580 1.173 -7.961) 8.068 6.667 ( 0.751 -1.054 13.311) 13.374 6.728 ( 2.147 -4.402 7.794) 9.205 6.980 ( -7.930 -2.089 13.304) 15.628 7.130 ( -4.244 1.866 3.001) 5.523 7.305 ( 4.086 7.313 -3.805) 9.200 7.506 ( 1.950 2.290 -10.593) 11.012 7.655 ( 5.076 1.526 -6.561) 8.434 7.742 ( -1.946 7.257 -3.619) 8.340 7.793 ( 4.950 5.210 11.024) 13.160 8.287 ( -6.744 12.735 -8.665) 16.815 8.598 ( 3.640 -7.907 1.322) 8.805 8.896 ( -2.134 -12.149 -11.147) 16.625 9.357 ( -0.810 1.272 7.822) 7.966 9.772 ( -8.817 10.429 -8.747) 16.218 10.161 ( 3.008 -2.091 -0.078) 3.664 10.328 ( -9.130 -13.092 -2.683) 16.185 10.971 ( -1.152 -8.772 1.041) 8.908 11.047 ( 4.413 -4.457 -10.846) 12.529 11.818 ( -0.540 1.260 4.884) 5.073 11.954 ( 1.620 2.598 -2.225) 3.785 12.573 ( 1.750 -7.965 0.569) 8.175 12.819 ( -2.262 -2.264 -11.578) 12.012 13.323 ( -4.179 2.202 14.945) 15.674 13.563 ( 2.849 10.454 0.285) 10.839 13.632 ( 1.527 13.226 2.634) 13.572 13.921 ( -4.375 -2.575 -11.855) 12.896 14.096 ( -4.162 -14.905 3.990) 15.981 14.228 ( 2.331 -12.965 -3.544) 13.641 14.633 ( 14.475 3.384 5.159) 15.735 15.132 ( -15.256 -1.104 5.210) 16.159 15.457 ( -7.004 -1.157 10.047) 12.302 15.678 ( 5.512 -1.570 -7.924) 9.779 16.294 ( 6.665 3.514 -4.993) 9.039 16.370 ( -6.719 2.415 3.972) 8.170 17.342 ( 3.939 1.099 -1.389) 4.319 17.479 ( -6.471 0.109 -2.201) 6.836 19.901 ( 12.151 3.595 1.155) 12.724 20.031 ( 0.808 -0.360 -0.069) 0.887 20.700 ( -2.476 0.130 6.610) 7.060 20.896 ( -5.398 -0.167 -3.119) 6.237 22.498 ( 26.693 5.303 -8.396) 28.480 22.689 ( -14.599 2.214 12.541) 19.373 ======================= Grid point 352 (189/201) ======================= q-point: (-0.38 -0.62 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -8.282 -2.722 3.678) 9.462 2.369 ( 5.346 -3.540 -5.096) 8.190 2.716 ( -5.241 -2.211 7.969) 9.791 2.849 ( 2.665 -2.328 -3.512) 4.986 3.000 ( -0.945 2.744 0.836) 3.020 3.079 ( 2.998 4.228 -5.179) 7.327 3.567 ( -1.173 6.969 1.079) 7.149 3.618 ( 3.102 9.484 -3.851) 10.696 4.828 ( -0.729 -10.158 2.934) 10.599 4.908 ( -2.869 -10.967 -5.288) 12.509 5.408 ( 0.029 3.577 15.760) 16.160 5.675 ( 0.032 3.296 -10.775) 11.268 6.749 ( -5.401 -2.550 14.650) 15.821 6.842 ( -2.250 -4.955 9.511) 10.958 7.006 ( -2.065 1.668 5.583) 6.182 7.086 ( -1.322 -0.406 5.516) 5.687 7.214 ( -1.727 7.489 -5.188) 9.273 7.350 ( 3.858 7.154 -9.101) 12.203 7.551 ( -6.340 4.033 2.591) 7.948 7.753 ( 6.286 2.532 -8.502) 10.872 7.788 ( 7.033 6.748 4.647) 10.798 7.961 ( -4.790 14.039 -5.335) 15.765 8.812 ( 0.185 -14.256 8.152) 16.423 9.043 ( 0.103 -15.631 -14.140) 21.078 9.368 ( 7.079 8.412 4.632) 11.930 9.489 ( -3.587 10.071 -7.438) 13.023 10.280 ( -0.972 -7.587 6.097) 9.782 10.420 ( -0.356 -12.532 -8.070) 14.910 11.067 ( -4.813 -8.287 0.613) 9.603 11.169 ( 5.924 -10.918 -7.988) 14.768 11.798 ( -2.916 0.998 7.190) 7.823 11.940 ( 1.345 0.774 -4.777) 5.023 12.707 ( -0.416 -6.945 2.342) 7.341 12.828 ( 3.624 -4.297 -9.294) 10.861 13.283 ( -1.353 9.834 11.534) 15.218 13.398 ( -0.755 10.059 -2.040) 10.291 13.587 ( 1.253 -0.332 7.862) 7.968 13.814 ( -3.058 -0.284 -13.379) 13.727 14.293 ( -3.642 -11.772 8.500) 14.970 14.449 ( 2.228 -15.045 -7.318) 16.878 14.774 ( 11.504 4.324 13.614) 18.340 14.971 ( -13.879 -2.098 -4.446) 14.724 15.528 ( 0.488 -4.213 8.250) 9.276 15.695 ( 3.791 -1.160 -9.160) 9.981 16.245 ( -9.323 3.855 3.871) 10.806 16.314 ( 9.346 4.309 -3.102) 10.749 17.354 ( -0.659 2.352 1.320) 2.776 17.396 ( -1.130 0.252 -2.891) 3.115 19.956 ( -2.212 4.449 0.740) 5.024 19.973 ( 2.823 4.165 -0.604) 5.067 20.722 ( 0.397 0.497 7.018) 7.046 20.854 ( 1.376 -1.160 -6.364) 6.614 22.457 ( -19.320 6.667 10.419) 22.941 22.653 ( 21.214 8.582 -10.131) 25.027 ======================= Grid point 353 (190/201) ======================= q-point: (-0.25 -0.62 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -7.230 -5.795 7.783) 12.101 2.462 ( 3.734 -3.895 -2.203) 5.828 2.701 ( -5.660 0.606 5.879) 8.183 2.901 ( 4.533 -0.131 -2.932) 5.400 2.939 ( -2.020 3.579 0.368) 4.126 3.033 ( 3.427 2.889 -4.716) 6.507 3.421 ( -4.221 6.786 -2.888) 8.498 3.533 ( 4.420 5.438 -1.716) 7.215 4.895 ( -10.812 -9.464 5.919) 15.540 5.131 ( 6.305 -13.115 -1.240) 14.604 5.413 ( -2.139 4.673 9.098) 10.449 5.569 ( 4.043 5.755 -9.362) 11.709 6.779 ( -9.407 -2.981 14.707) 17.711 6.873 ( -6.393 9.418 8.737) 14.349 6.935 ( -4.416 -4.762 1.067) 6.582 7.036 ( 1.975 8.257 -0.543) 8.507 7.188 ( 5.231 -2.188 1.807) 5.951 7.329 ( 3.720 -0.440 -6.869) 7.824 7.450 ( -9.974 -0.673 9.071) 13.498 7.641 ( -6.185 8.097 2.575) 10.509 7.724 ( 5.284 6.107 -7.680) 11.144 7.915 ( 9.083 -3.834 -7.933) 12.654 9.065 ( -2.927 -14.501 6.260) 16.064 9.126 ( -4.564 -1.369 -1.653) 5.043 9.250 ( 4.024 5.147 -8.609) 10.807 9.419 ( 14.331 7.808 -7.134) 17.811 10.386 ( -6.849 -9.100 4.933) 12.412 10.614 ( 9.448 -9.940 -4.003) 14.286 11.151 ( -5.045 -9.212 6.919) 12.578 11.377 ( 6.497 -12.629 -9.091) 16.863 11.813 ( -2.245 -1.674 5.364) 6.051 11.882 ( -1.993 3.537 -4.216) 5.853 12.789 ( -0.476 -3.520 -1.505) 3.858 12.853 ( 2.946 2.061 -3.800) 5.231 13.155 ( -3.558 7.197 8.629) 11.787 13.288 ( 1.627 5.108 -4.382) 6.924 13.649 ( -5.475 -3.405 2.228) 6.822 13.785 ( 4.988 -2.564 -0.658) 5.647 14.401 ( -6.815 -2.992 5.691) 9.369 14.571 ( -0.843 -6.029 -5.396) 8.135 14.894 ( -3.523 -7.881 -7.310) 11.312 14.966 ( 7.387 -3.687 16.767) 18.690 15.554 ( -4.619 1.313 1.385) 4.998 15.799 ( 13.231 -4.070 -6.881) 15.459 16.095 ( -10.693 1.506 2.269) 11.034 16.341 ( 7.797 3.447 -3.368) 9.166 17.249 ( -7.674 3.204 0.822) 8.357 17.459 ( 9.554 -1.108 -0.410) 9.627 19.724 ( -14.606 8.976 1.167) 17.183 19.992 ( 6.310 4.008 -0.892) 7.528 20.745 ( -0.126 1.462 4.881) 5.097 20.907 ( 10.135 -2.000 -7.197) 12.590 22.137 ( -23.762 7.866 6.646) 25.897 22.681 ( 17.212 11.379 -7.290) 21.883 ======================= Grid point 354 (191/201) ======================= q-point: (-0.12 -0.62 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -4.414 -7.688 9.004) 12.636 2.535 ( 0.322 -3.697 0.709) 3.778 2.651 ( -3.870 1.573 4.008) 5.789 2.863 ( -2.421 2.926 1.643) 4.138 2.920 ( 6.527 2.835 -5.177) 8.800 3.006 ( 2.205 2.755 -3.854) 5.225 3.306 ( -3.374 -1.127 -4.969) 6.111 3.520 ( 3.149 1.287 -2.643) 4.308 4.942 ( -10.177 -7.247 10.677) 16.434 5.278 ( -1.730 6.539 -7.424) 10.044 5.379 ( 3.929 -6.736 2.022) 8.056 5.520 ( 4.912 4.317 -0.244) 6.544 6.666 ( -2.974 11.878 3.989) 12.878 6.806 ( -6.169 -3.694 8.691) 11.280 6.930 ( -0.277 8.565 9.004) 12.430 7.015 ( -4.933 -8.154 2.232) 9.788 7.237 ( 4.016 2.563 -3.368) 5.834 7.350 ( 3.501 -0.255 1.140) 3.691 7.478 ( -13.023 -7.884 10.876) 18.709 7.520 ( -2.186 -2.483 -2.967) 4.444 7.666 ( 1.281 1.858 -6.869) 7.230 8.071 ( 7.812 -10.093 -9.812) 16.099 8.962 ( -1.038 14.722 5.502) 15.751 9.149 ( 1.200 0.139 -8.086) 8.176 9.362 ( 1.276 -14.305 -2.233) 14.534 9.461 ( 10.527 0.920 -6.367) 12.337 10.429 ( -6.495 -3.030 5.199) 8.854 10.848 ( 9.474 -8.057 -1.743) 12.559 11.307 ( -2.781 -11.040 11.149) 15.935 11.519 ( 5.054 -2.362 -14.657) 15.683 11.737 ( -4.345 7.653 -2.210) 9.074 11.842 ( -0.735 -0.867 4.227) 4.378 12.711 ( -3.642 2.623 -5.463) 7.071 12.911 ( 4.036 -3.537 1.811) 5.664 13.108 ( -1.662 2.753 7.568) 8.223 13.211 ( -0.734 1.927 -6.305) 6.634 13.631 ( -4.476 -3.195 0.171) 5.502 13.917 ( 4.535 -2.798 6.084) 8.087 14.270 ( -8.626 5.237 -5.722) 11.601 14.629 ( -1.902 -3.826 3.942) 5.813 14.988 ( 2.801 -6.997 -1.630) 7.711 15.172 ( 2.116 -2.407 9.080) 9.630 15.491 ( -3.305 -0.518 5.023) 6.035 15.833 ( -1.746 7.374 -1.105) 7.658 16.086 ( 1.683 -9.055 -10.206) 13.747 16.394 ( 7.278 -2.977 -2.741) 8.328 17.114 ( -5.297 4.643 0.557) 7.066 17.625 ( 11.717 -3.794 -0.326) 12.320 19.418 ( -14.080 9.884 3.291) 17.515 19.992 ( 4.973 3.912 -1.710) 6.554 20.737 ( -0.363 1.819 3.206) 3.704 21.055 ( 16.031 -2.421 -7.210) 17.744 21.778 ( -22.901 7.162 4.267) 24.371 22.659 ( 11.779 10.569 -1.603) 15.907 ======================= Grid point 359 (192/201) ======================= q-point: (-0.50 -0.50 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( -7.852 -0.000 2.334) 8.192 2.315 ( 5.723 0.000 -4.871) 7.515 2.665 ( -6.407 -0.000 8.635) 10.752 2.796 ( 2.424 0.000 -2.992) 3.851 3.056 ( -0.172 -0.000 0.033) 0.175 3.142 ( 1.471 0.000 -6.345) 6.513 3.694 ( -3.520 -0.000 2.145) 4.122 3.775 ( 5.385 0.000 -5.951) 8.026 4.656 ( 5.270 0.000 2.082) 5.666 4.737 ( -8.291 -0.000 -6.140) 10.317 5.464 ( -0.771 -0.000 16.523) 16.541 5.717 ( -1.177 -0.000 -8.512) 8.593 6.738 ( -1.164 -0.000 7.489) 7.579 6.744 ( 1.033 0.000 7.904) 7.971 6.930 ( -9.283 -0.000 15.318) 17.911 7.118 ( -0.589 -0.000 0.032) 0.590 7.401 ( -1.355 -0.000 -0.319) 1.392 7.502 ( 5.389 0.000 -7.735) 9.427 7.692 ( 4.162 0.000 -1.743) 4.512 7.703 ( -9.260 -0.000 -2.926) 9.711 7.993 ( 10.266 0.000 9.055) 13.689 8.266 ( -3.956 -0.000 -15.364) 15.866 8.614 ( 7.922 0.000 0.720) 7.955 8.673 ( -8.363 -0.000 -5.095) 9.793 9.432 ( 3.185 0.000 12.319) 12.724 9.722 ( -2.727 -0.000 -17.794) 18.002 10.131 ( -5.477 -0.000 3.970) 6.765 10.188 ( 4.577 0.000 -0.138) 4.579 10.907 ( -0.375 -0.000 0.954) 1.025 11.003 ( 4.424 0.000 -11.584) 12.400 11.859 ( -1.022 -0.000 7.640) 7.708 11.943 ( -5.169 -0.000 0.415) 5.185 12.569 ( 7.557 0.000 -0.585) 7.580 12.693 ( -1.909 -0.000 -13.340) 13.476 13.392 ( -1.650 -0.000 18.671) 18.744 13.722 ( -7.081 -0.000 -13.336) 15.099 13.748 ( 2.951 0.000 3.801) 4.812 13.804 ( 1.065 0.000 -4.074) 4.211 13.941 ( 0.049 0.000 9.556) 9.556 14.103 ( 0.533 0.000 -6.723) 6.744 14.887 ( 18.149 0.000 5.147) 18.865 14.939 ( -18.953 -0.000 1.593) 19.019 15.448 ( -2.985 -0.000 11.985) 12.351 15.674 ( 4.990 0.000 -11.408) 12.452 16.311 ( -9.879 -0.000 4.134) 10.709 16.390 ( 9.135 0.000 -3.793) 9.891 17.390 ( 3.811 0.000 0.317) 3.825 17.401 ( -6.050 -0.000 -0.974) 6.128 20.021 ( -3.208 -0.000 0.064) 3.209 20.029 ( 4.762 0.000 -0.108) 4.763 20.734 ( 2.612 0.000 5.564) 6.147 20.832 ( -1.326 -0.000 -4.316) 4.515 22.563 ( -21.251 -0.000 12.181) 24.494 22.790 ( 24.560 0.000 -11.386) 27.071 ======================= Grid point 360 (193/201) ======================= q-point: (-0.38 -0.50 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -7.129 -1.047 5.422) 9.018 2.377 ( 6.263 -1.653 -3.256) 7.250 2.664 ( -4.845 -2.059 8.048) 9.617 2.834 ( 2.558 -2.237 0.178) 3.403 3.019 ( -2.253 2.131 -1.027) 3.267 3.104 ( -0.796 0.966 -4.891) 5.049 3.623 ( -4.155 4.640 1.112) 6.326 3.757 ( 3.894 5.624 -5.057) 8.507 4.651 ( -8.145 -4.709 -1.455) 9.521 4.796 ( 5.701 -7.351 3.576) 9.966 5.526 ( -0.961 2.342 14.144) 14.369 5.650 ( -0.001 0.780 -9.075) 9.109 6.724 ( -7.181 0.459 8.977) 11.505 6.794 ( -2.516 -2.640 3.953) 5.378 6.960 ( -5.796 -5.266 11.550) 13.955 7.114 ( 0.800 1.885 0.623) 2.140 7.323 ( -1.225 6.831 2.094) 7.249 7.473 ( 6.428 7.613 -10.153) 14.225 7.521 ( -11.216 4.239 5.547) 13.211 7.751 ( 3.610 -1.172 -7.357) 8.279 8.018 ( 1.295 11.214 1.219) 11.354 8.144 ( 7.567 8.968 -5.466) 12.945 8.632 ( -6.061 -11.173 2.768) 13.009 8.789 ( 3.962 -9.894 -4.120) 11.427 9.529 ( 0.712 4.909 -6.833) 8.444 9.606 ( 11.228 2.598 4.631) 12.420 10.129 ( -5.854 -4.281 1.926) 7.504 10.342 ( 11.332 -7.784 -0.672) 13.764 10.929 ( -2.426 -3.994 0.051) 4.674 11.054 ( 4.820 -7.687 -8.518) 12.445 11.816 ( -6.323 3.344 7.659) 10.479 11.917 ( -2.615 -1.109 -0.203) 2.847 12.636 ( 1.751 -3.570 -3.462) 5.272 12.739 ( 7.352 -7.268 -6.580) 12.254 13.454 ( -0.765 5.199 13.758) 14.727 13.557 ( 0.504 12.333 -3.921) 12.951 13.593 ( -8.263 2.924 2.043) 9.000 13.813 ( 6.835 4.488 -4.409) 9.290 14.111 ( -2.262 -13.486 5.669) 14.803 14.209 ( 0.592 -14.239 -4.553) 14.961 14.732 ( -16.132 -1.327 -2.317) 16.351 15.086 ( 15.499 5.049 7.813) 18.077 15.515 ( -0.464 -3.502 8.174) 8.905 15.681 ( 6.547 -1.583 -12.089) 13.839 16.195 ( -10.638 2.666 4.929) 12.024 16.454 ( 8.139 2.638 -4.096) 9.485 17.321 ( -5.915 1.346 0.667) 6.103 17.444 ( 4.927 -0.143 1.412) 5.127 19.916 ( -10.474 3.812 -0.721) 11.170 20.046 ( 0.279 0.062 -0.865) 0.911 20.793 ( 3.705 1.765 1.943) 4.540 20.848 ( 6.875 -1.948 -3.044) 7.767 22.320 ( -25.525 3.696 9.450) 27.468 22.941 ( 19.090 5.155 -12.714) 23.509 ======================= Grid point 361 (194/201) ======================= q-point: (-0.25 -0.50 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -5.427 -3.400 9.251) 11.251 2.459 ( 4.642 -1.975 -1.143) 5.173 2.674 ( -3.852 -0.668 5.801) 6.995 2.889 ( -4.074 -1.214 5.721) 7.128 2.974 ( 3.413 0.419 -4.762) 5.874 3.054 ( -0.289 0.792 -5.398) 5.463 3.481 ( -3.899 8.104 -1.384) 9.099 3.661 ( 2.543 8.175 -3.678) 9.318 4.663 ( -8.458 -9.035 3.764) 12.936 5.027 ( 5.563 -11.390 4.726) 13.528 5.478 ( -2.717 5.445 -0.473) 6.103 5.642 ( 3.397 1.056 0.587) 3.606 6.690 ( -10.166 -2.517 11.638) 15.657 6.796 ( -6.873 -3.571 1.674) 7.924 6.964 ( -4.789 5.766 2.633) 7.945 7.121 ( -0.317 -4.729 5.833) 7.516 7.265 ( 2.044 7.140 8.290) 11.130 7.344 ( -2.396 5.095 0.398) 5.644 7.417 ( -1.934 2.344 -4.025) 5.044 7.694 ( -1.515 5.331 -7.305) 9.170 7.880 ( 8.917 9.383 -11.574) 17.364 8.050 ( 5.086 12.585 5.443) 14.625 8.808 ( -5.446 -17.322 1.587) 18.227 8.945 ( 0.967 -9.918 -3.392) 10.527 9.408 ( 4.901 8.127 -5.676) 11.058 9.715 ( 14.909 11.318 0.166) 18.719 10.204 ( -1.964 -11.238 4.365) 12.214 10.602 ( 12.206 -8.295 -1.062) 14.796 10.987 ( -4.062 -8.740 3.039) 10.105 11.229 ( 5.368 -11.958 -4.723) 13.933 11.766 ( -6.554 -1.807 6.877) 9.670 11.870 ( -2.380 2.047 -3.726) 4.872 12.721 ( 1.815 -5.276 -1.717) 5.837 12.874 ( 6.260 -2.640 -4.413) 8.101 13.274 ( -4.342 13.071 0.936) 13.805 13.402 ( -0.277 8.105 1.177) 8.195 13.568 ( -1.899 -0.723 -0.574) 2.112 13.851 ( 5.555 -0.091 6.796) 8.779 14.281 ( -5.898 -7.079 1.535) 9.341 14.357 ( -4.694 -11.943 -0.158) 12.833 14.670 ( -1.492 -11.069 -6.101) 12.727 15.191 ( 7.885 5.502 11.676) 15.125 15.570 ( 2.097 1.631 1.860) 3.243 15.783 ( 7.990 -8.533 -11.864) 16.656 16.051 ( -8.396 5.542 6.978) 12.244 16.448 ( 4.162 4.110 -5.258) 7.865 17.235 ( -4.525 2.921 1.682) 5.643 17.538 ( 7.562 -1.929 1.689) 7.985 19.676 ( -14.408 7.266 -0.908) 16.162 20.040 ( -0.980 -0.645 -1.160) 1.650 20.806 ( 3.570 2.379 -1.101) 4.429 20.979 ( 11.858 -2.383 -2.526) 12.356 21.982 ( -27.180 5.921 7.118) 28.714 22.954 ( 12.535 8.445 -11.802) 19.176 ======================= Grid point 362 (195/201) ======================= q-point: (-0.12 -0.50 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -2.599 -6.636 10.532) 12.717 2.515 ( 1.418 -0.777 0.714) 1.767 2.658 ( -2.566 1.362 4.349) 5.230 2.853 ( -4.754 -0.037 3.067) 5.657 2.981 ( 0.081 1.457 -0.574) 1.568 3.039 ( 4.165 -0.195 -7.797) 8.842 3.303 ( -1.405 8.157 -4.424) 9.386 3.570 ( 1.230 4.349 -3.031) 5.442 4.752 ( -7.655 -10.635 9.554) 16.217 5.281 ( 4.411 -9.827 3.648) 11.372 5.342 ( -1.301 5.593 -6.237) 8.478 5.645 ( 2.842 4.684 0.067) 5.479 6.681 ( -10.258 -4.311 10.315) 15.172 6.772 ( -7.351 0.668 5.555) 9.238 6.866 ( 0.329 -0.611 1.610) 1.754 7.149 ( -7.237 7.160 9.966) 14.247 7.254 ( -2.222 -4.937 13.114) 14.187 7.312 ( 2.443 2.368 -4.026) 5.272 7.374 ( 4.183 -0.997 -9.703) 10.613 7.543 ( -2.236 7.019 -0.669) 7.397 7.765 ( 7.181 12.142 -10.137) 17.371 8.021 ( 2.871 -0.567 -0.206) 2.934 8.982 ( -4.273 -12.200 0.621) 12.942 9.052 ( -0.059 -7.219 -5.537) 9.098 9.335 ( 5.214 8.567 0.638) 10.049 9.660 ( 10.512 10.808 -7.075) 16.654 10.371 ( 2.375 -4.594 4.049) 6.568 10.838 ( 9.003 -7.137 -0.128) 11.490 11.142 ( -3.206 -14.046 7.886) 16.424 11.437 ( 6.044 -9.202 -6.370) 12.720 11.761 ( -2.948 5.362 -5.083) 7.955 11.787 ( -5.076 -5.154 6.599) 9.791 12.728 ( -0.612 5.440 -5.125) 7.499 12.914 ( 3.149 -0.549 1.615) 3.581 13.147 ( -0.635 0.724 0.091) 0.967 13.262 ( -1.098 9.152 -2.339) 9.510 13.570 ( 0.265 -1.628 0.067) 1.651 13.973 ( 3.668 -1.873 8.650) 9.580 14.178 ( -9.450 0.696 -6.334) 11.398 14.517 ( -2.003 -9.077 7.492) 11.939 14.860 ( 5.221 -11.899 -7.340) 14.924 15.264 ( -0.965 -0.833 14.646) 14.702 15.554 ( 5.211 7.011 1.817) 8.923 15.863 ( -7.964 -2.417 -1.246) 8.415 15.964 ( 5.624 1.798 -7.852) 9.824 16.421 ( 3.234 -0.293 -3.296) 4.627 17.147 ( -2.118 4.376 0.322) 4.872 17.683 ( 7.865 -3.556 0.836) 8.672 19.405 ( -11.406 7.074 0.101) 13.421 20.031 ( -0.925 -0.534 -1.128) 1.554 20.791 ( 1.886 3.164 -0.672) 3.744 21.165 ( 15.788 -3.799 -4.542) 16.862 21.623 ( -24.769 5.508 5.592) 25.983 22.880 ( 6.012 8.214 -7.592) 12.699 ======================= Grid point 368 (196/201) ======================= q-point: (-0.38 -0.38 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -4.530 -0.000 8.027) 9.217 2.425 ( 5.552 0.000 -0.868) 5.619 2.645 ( -3.299 -0.000 7.757) 8.429 2.850 ( 0.017 0.000 5.455) 5.455 2.994 ( -1.476 -0.000 -5.060) 5.271 3.052 ( -4.479 -0.000 -2.292) 5.032 3.617 ( -3.935 -0.000 0.568) 3.976 3.804 ( 2.311 0.000 -5.111) 5.609 4.530 ( -5.919 -0.000 -0.200) 5.923 4.837 ( 5.126 0.000 7.609) 9.175 5.595 ( -0.359 -0.000 -9.324) 9.330 5.617 ( -0.786 -0.000 13.748) 13.770 6.676 ( -8.033 -0.000 2.921) 8.548 6.742 ( -3.585 -0.000 -2.756) 4.522 6.921 ( -6.773 -0.000 18.727) 19.914 7.153 ( 2.278 0.000 -0.616) 2.360 7.340 ( -3.632 -0.000 -0.380) 3.651 7.443 ( -12.049 -0.000 8.588) 14.796 7.585 ( 8.733 0.000 -12.313) 15.096 7.771 ( 0.912 0.000 3.014) 3.149 8.069 ( 3.404 0.000 -16.695) 17.039 8.308 ( 6.307 0.000 8.556) 10.630 8.439 ( -6.107 -0.000 -2.637) 6.652 8.825 ( 7.664 0.000 3.258) 8.328 9.574 ( 4.885 0.000 -11.886) 12.851 9.725 ( 8.331 0.000 12.741) 15.223 10.146 ( 2.633 0.000 5.983) 6.537 10.398 ( 13.772 0.000 -4.587) 14.516 10.896 ( -1.215 -0.000 1.013) 1.582 10.974 ( 2.676 0.000 -9.041) 9.429 11.769 ( -10.062 -0.000 1.979) 10.255 11.902 ( -3.012 -0.000 8.216) 8.751 12.589 ( 4.680 0.000 -10.466) 11.465 12.794 ( 10.570 0.000 1.532) 10.681 13.487 ( -3.519 -0.000 -5.280) 6.345 13.584 ( -0.760 -0.000 16.693) 16.710 13.778 ( 3.289 0.000 -10.279) 10.792 13.827 ( -0.889 -0.000 9.512) 9.553 14.014 ( -1.060 -0.000 -7.914) 7.985 14.045 ( -0.200 -0.000 5.841) 5.845 14.540 ( -10.974 -0.000 -2.116) 11.176 15.357 ( 16.595 0.000 4.002) 17.071 15.487 ( -5.757 -0.000 6.194) 8.457 15.685 ( 8.205 0.000 -11.615) 14.221 16.143 ( -7.642 -0.000 8.471) 11.408 16.521 ( 4.150 0.000 -5.748) 7.090 17.275 ( -4.664 -0.000 1.649) 4.946 17.512 ( 5.339 0.000 2.900) 6.076 19.803 ( -13.303 -0.000 -2.251) 13.492 20.005 ( -3.834 -0.000 -1.759) 4.218 20.849 ( 6.724 0.000 -7.114) 9.789 20.936 ( 8.623 0.000 4.206) 9.594 22.077 ( -28.919 -0.000 8.004) 30.006 23.089 ( 13.091 0.000 -16.058) 20.718 ======================= Grid point 369 (197/201) ======================= q-point: (-0.25 -0.38 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -2.003 -0.658 10.869) 11.072 2.487 ( 3.105 -1.075 1.690) 3.695 2.661 ( -1.730 -0.740 5.654) 5.959 2.845 ( -9.284 -0.135 9.546) 13.317 2.986 ( 1.324 -0.615 -2.543) 2.932 2.999 ( 0.948 -1.440 -6.715) 6.933 3.536 ( -3.200 5.289 0.125) 6.183 3.764 ( 1.630 4.888 -5.315) 7.403 4.507 ( -4.638 -4.096 3.734) 7.227 4.985 ( 3.965 -6.575 8.032) 11.111 5.515 ( 0.124 4.194 -6.726) 7.928 5.682 ( -0.523 -0.972 8.379) 8.452 6.596 ( -9.715 -1.336 5.734) 11.360 6.681 ( -5.223 -1.386 -4.348) 6.936 6.963 ( -7.056 -0.507 15.040) 16.621 7.134 ( 0.107 2.678 2.241) 3.494 7.313 ( -0.757 -2.193 -3.519) 4.215 7.347 ( -8.510 1.788 7.734) 11.638 7.545 ( 3.671 10.615 -0.293) 11.236 7.730 ( 2.854 5.142 -7.355) 9.417 8.010 ( 7.148 3.611 -13.217) 15.454 8.352 ( 4.654 9.643 3.271) 11.196 8.493 ( -4.188 -13.849 2.244) 14.641 8.901 ( 3.843 1.148 4.115) 5.746 9.538 ( 8.224 5.164 -6.489) 11.680 10.031 ( 14.378 -9.868 7.519) 18.990 10.103 ( 1.033 8.985 3.737) 9.786 10.613 ( 13.361 -8.073 -6.291) 16.831 10.871 ( -3.314 -1.636 1.682) 4.061 11.080 ( 2.977 -12.331 -3.483) 13.154 11.676 ( -9.363 -1.742 4.289) 10.445 11.878 ( -2.465 2.919 2.499) 4.566 12.659 ( 6.213 -5.541 -6.173) 10.364 12.928 ( 9.154 -0.341 0.846) 9.200 13.443 ( -0.600 2.082 -0.261) 2.183 13.465 ( -5.111 16.266 0.685) 17.064 13.639 ( 3.305 7.411 0.140) 8.116 13.942 ( 1.066 0.454 3.730) 3.906 14.076 ( -6.025 -8.573 2.887) 10.869 14.139 ( -1.419 -15.404 1.018) 15.503 14.525 ( 3.717 -6.050 -0.815) 7.147 15.351 ( -4.872 5.382 3.695) 8.146 15.610 ( 7.750 -7.004 -3.077) 10.890 15.736 ( 9.444 1.862 -5.081) 10.885 16.110 ( -3.198 3.408 11.635) 12.539 16.483 ( -1.273 2.329 -6.806) 7.306 17.232 ( -2.791 1.186 1.236) 3.274 17.607 ( 6.672 -1.336 3.042) 7.454 19.588 ( -13.885 4.464 -3.581) 15.018 19.967 ( -4.370 -2.653 -1.759) 5.406 20.875 ( 6.195 1.871 -6.823) 9.404 21.075 ( 10.111 -1.892 1.876) 10.456 21.752 ( -29.529 2.606 6.731) 30.399 23.075 ( 5.790 4.023 -17.148) 18.541 ======================= Grid point 370 (198/201) ======================= q-point: (-0.12 -0.38 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 0.248 -2.821 12.064) 12.392 2.535 ( -0.351 -0.511 4.513) 4.555 2.674 ( -0.949 0.677 3.761) 3.938 2.793 ( -7.043 -1.608 5.570) 9.122 2.949 ( -4.035 -1.184 -1.396) 4.431 3.047 ( 5.304 0.203 -6.326) 8.258 3.407 ( -0.610 8.082 -1.099) 8.179 3.652 ( 1.620 7.636 -6.023) 9.860 4.590 ( -3.173 -8.779 8.688) 12.753 5.189 ( 2.522 -10.460 5.196) 11.949 5.404 ( 0.695 6.898 -5.336) 8.748 5.710 ( -0.319 1.255 2.382) 2.711 6.554 ( -9.894 -3.053 5.369) 11.664 6.644 ( -7.004 -5.535 3.358) 9.538 6.919 ( -3.068 2.318 6.176) 7.276 7.128 ( -6.572 2.887 14.399) 16.089 7.311 ( 0.168 -1.399 -9.475) 9.579 7.320 ( 0.305 -2.167 -1.228) 2.509 7.417 ( -0.602 9.425 11.982) 15.256 7.651 ( 6.240 6.612 -9.120) 12.878 7.986 ( 12.065 6.102 -14.953) 20.159 8.175 ( -0.525 18.127 7.022) 19.447 8.694 ( -5.209 -17.393 1.973) 18.263 8.947 ( 1.033 -2.753 -1.206) 3.178 9.539 ( 9.027 6.886 -3.136) 11.779 9.919 ( 4.312 16.084 -2.012) 16.773 10.383 ( 10.935 -7.636 0.804) 13.361 10.835 ( 8.524 -8.287 -0.537) 11.901 10.927 ( -4.623 -10.679 3.589) 12.177 11.311 ( 3.408 -13.840 -0.165) 14.255 11.661 ( -7.017 -5.458 5.361) 10.382 11.804 ( -0.227 4.778 -2.380) 5.343 12.760 ( 4.090 -0.904 -3.830) 5.676 13.002 ( 5.287 3.316 1.180) 6.351 13.190 ( -1.881 9.762 -1.276) 10.023 13.364 ( -3.470 8.394 -0.347) 9.090 13.603 ( 6.031 1.592 -1.038) 6.323 13.998 ( -3.006 -4.169 -0.619) 5.177 14.032 ( -5.211 -1.670 1.520) 5.680 14.428 ( 4.734 -11.469 8.996) 15.325 14.736 ( 8.185 -10.784 -0.475) 13.547 15.241 ( -10.939 -0.279 5.868) 12.417 15.710 ( 4.859 -2.328 -16.580) 17.434 15.801 ( 9.994 5.034 9.682) 14.797 16.066 ( -2.777 7.434 6.825) 10.466 16.407 ( -1.217 -1.049 -3.771) 4.099 17.176 ( -1.728 2.978 -1.605) 3.799 17.723 ( 4.899 -2.101 2.127) 5.739 19.360 ( -8.367 4.042 -3.832) 10.051 19.956 ( -4.514 -3.812 -1.093) 6.009 20.856 ( 2.897 3.640 -4.952) 6.794 21.252 ( 11.056 -4.308 -0.236) 11.868 21.424 ( -23.462 2.310 4.863) 24.072 22.944 ( -1.362 4.684 -14.208) 15.022 ======================= Grid point 377 (199/201) ======================= q-point: (-0.25 -0.25 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 201 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 1.164 0.000 10.898) 10.960 2.508 ( -1.587 -0.000 5.671) 5.888 2.680 ( 1.354 0.000 3.654) 3.897 2.768 ( -11.779 -0.000 9.035) 14.845 2.926 ( -4.880 -0.000 0.725) 4.933 3.042 ( 8.533 0.000 -5.346) 10.069 3.551 ( -1.534 -0.000 0.047) 1.534 3.781 ( 0.445 0.000 -4.437) 4.459 4.469 ( -1.273 -0.000 4.595) 4.768 5.013 ( 1.319 0.000 8.242) 8.347 5.525 ( 2.864 0.000 -7.724) 8.238 5.700 ( -3.415 -0.000 9.494) 10.089 6.492 ( -9.326 -0.000 2.960) 9.785 6.586 ( -4.706 -0.000 -6.119) 7.719 6.981 ( -8.638 -0.000 21.215) 22.906 7.161 ( -1.140 -0.000 0.877) 1.439 7.246 ( -0.282 -0.000 -2.963) 2.977 7.319 ( -6.589 -0.000 8.323) 10.615 7.667 ( 9.048 0.000 -12.255) 15.233 7.793 ( -0.694 -0.000 1.333) 1.503 8.045 ( 8.233 0.000 -15.625) 17.662 8.208 ( -8.542 -0.000 0.985) 8.599 8.611 ( 7.114 0.000 9.429) 11.812 9.023 ( 6.200 0.000 2.865) 6.830 9.692 ( 12.320 0.000 -5.579) 13.524 10.009 ( 3.887 0.000 12.231) 12.834 10.326 ( 4.041 0.000 5.673) 6.965 10.636 ( 14.385 0.000 -15.284) 20.989 10.896 ( -1.158 -0.000 5.719) 5.835 10.930 ( -0.210 -0.000 -3.827) 3.833 11.578 ( -7.548 -0.000 3.555) 8.343 11.881 ( -3.564 -0.000 1.637) 3.922 12.677 ( 9.573 0.000 -5.845) 11.216 13.045 ( 7.819 0.000 2.074) 8.090 13.461 ( 2.135 0.000 2.095) 2.991 13.593 ( -7.497 -0.000 4.878) 8.944 13.721 ( 0.886 0.000 -9.720) 9.760 13.875 ( -10.484 -0.000 0.810) 10.515 13.933 ( 4.795 0.000 -11.127) 12.116 14.104 ( 7.304 0.000 20.546) 21.805 14.576 ( 10.274 0.000 2.796) 10.648 15.259 ( -15.762 -0.000 2.626) 15.979 15.633 ( 13.355 0.000 -16.882) 21.526 15.905 ( 10.979 0.000 10.104) 14.921 16.182 ( -1.489 -0.000 14.267) 14.345 16.409 ( -6.804 -0.000 -8.042) 10.534 17.217 ( -1.410 -0.000 -1.119) 1.800 17.689 ( 5.690 0.000 3.483) 6.672 19.443 ( -11.442 -0.000 -6.397) 13.109 19.876 ( -5.580 -0.000 -1.272) 5.723 20.919 ( 6.562 0.000 -10.288) 12.202 21.180 ( 7.416 0.000 4.623) 8.739 21.462 ( -27.938 -0.000 5.663) 28.507 23.021 ( -2.075 -0.000 -20.133) 20.239 ======================= Grid point 378 (200/201) ======================= q-point: (-0.12 -0.25 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 3.140 -0.516 10.478) 10.951 2.519 ( -5.146 -1.654 8.290) 9.897 2.680 ( -7.624 0.266 6.246) 9.859 2.734 ( 0.694 -1.435 3.000) 3.397 2.886 ( -3.394 -0.433 0.823) 3.519 3.098 ( 6.078 1.420 -4.806) 7.878 3.501 ( -0.114 5.274 0.794) 5.335 3.732 ( 1.319 4.371 -6.296) 7.777 4.528 ( 1.120 -4.119 7.547) 8.671 5.098 ( -1.097 -6.457 4.174) 7.767 5.494 ( 3.405 5.078 -3.656) 7.124 5.707 ( -3.477 -0.987 4.753) 5.971 6.426 ( -9.518 -2.122 4.728) 10.838 6.511 ( -5.422 -2.706 -3.173) 6.840 6.952 ( -7.162 2.685 14.909) 16.756 7.175 ( -1.891 -0.972 6.626) 6.959 7.258 ( 0.801 0.980 -2.109) 2.459 7.299 ( -1.839 -1.369 5.462) 5.924 7.603 ( -0.538 10.472 3.878) 11.180 7.751 ( 6.578 3.305 -10.244) 12.615 8.053 ( 9.256 -0.828 -15.282) 17.886 8.263 ( -5.723 -11.062 -3.999) 13.081 8.635 ( 4.285 11.419 10.619) 16.172 9.027 ( 3.158 7.968 3.031) 9.091 9.728 ( 11.250 6.780 -3.190) 13.517 10.177 ( 1.237 10.397 4.298) 11.318 10.348 ( 7.141 -11.574 -0.080) 13.600 10.724 ( 2.029 -4.583 -10.533) 11.665 10.883 ( 2.664 -2.776 7.911) 8.797 11.116 ( 1.601 -15.719 1.065) 15.836 11.551 ( -4.396 -2.779 3.158) 6.084 11.829 ( -2.216 1.404 -2.396) 3.553 12.782 ( 8.423 -2.006 -3.995) 9.535 13.108 ( 3.769 2.023 1.425) 4.508 13.358 ( -3.722 15.816 -0.558) 16.257 13.434 ( -3.985 7.603 0.490) 8.598 13.691 ( 2.856 -2.170 2.265) 4.243 13.856 ( -3.715 -5.827 -3.524) 7.757 13.963 ( 2.943 -2.217 -6.118) 7.142 14.426 ( 12.446 -9.582 15.674) 22.189 14.746 ( 9.778 -4.097 0.787) 10.631 15.098 ( -15.297 -0.694 7.665) 17.124 15.687 ( 11.722 -0.476 -20.232) 23.387 16.055 ( 5.693 4.248 16.896) 18.329 16.162 ( -5.325 7.766 3.118) 9.919 16.332 ( -0.894 -4.221 0.097) 4.315 17.180 ( -0.368 1.740 -4.837) 5.153 17.753 ( 0.345 -0.337 2.818) 2.859 19.295 ( -3.089 1.086 -7.990) 8.635 19.823 ( -7.983 -3.502 -0.012) 8.717 20.905 ( 3.354 3.067 -8.897) 9.991 21.154 ( -22.802 -0.789 7.357) 23.972 21.358 ( 9.894 -3.090 0.822) 10.398 22.833 ( -9.286 1.195 -18.413) 20.657 ======================= Grid point 386 (201/201) ======================= q-point: (-0.12 -0.12 0.45) 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 2.86e-04 2.86e-04 2.86e-04 2.86e-04 0.00e+00 0.00e+00 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 5.010 0.000 7.146) 8.727 2.485 ( -5.507 -0.000 7.926) 9.651 2.612 ( -8.849 -0.000 8.435) 12.226 2.761 ( 1.270 0.000 0.870) 1.539 2.874 ( -0.144 -0.000 3.399) 3.402 3.152 ( 4.312 0.000 -4.492) 6.227 3.556 ( 1.598 0.000 0.362) 1.638 3.738 ( 0.203 0.000 -4.750) 4.754 4.569 ( 4.094 0.000 6.926) 8.045 5.030 ( -4.432 -0.000 1.403) 4.649 5.578 ( 5.896 0.000 -2.319) 6.336 5.666 ( -6.128 -0.000 6.361) 8.832 6.338 ( -7.729 -0.000 5.264) 9.352 6.399 ( -6.116 -0.000 -4.709) 7.719 6.974 ( -6.917 -0.000 16.411) 17.809 7.177 ( 1.361 0.000 2.119) 2.518 7.277 ( -5.916 -0.000 10.442) 12.002 7.319 ( 4.190 0.000 2.648) 4.956 7.733 ( 8.356 0.000 -12.893) 15.364 7.747 ( -5.169 -0.000 1.816) 5.479 8.024 ( -8.634 -0.000 1.785) 8.816 8.094 ( 13.636 0.000 -21.765) 25.684 8.872 ( 5.762 0.000 10.249) 11.758 9.159 ( 3.413 0.000 0.777) 3.501 9.953 ( 13.521 0.000 -4.484) 14.245 10.179 ( -1.115 -0.000 11.919) 11.971 10.347 ( -4.202 -0.000 0.853) 4.288 10.660 ( 3.094 0.000 -16.687) 16.971 10.969 ( 5.760 0.000 0.834) 5.820 10.969 ( -1.095 0.000 10.525) 10.582 11.519 ( -0.493 -0.000 1.416) 1.499 11.779 ( -3.369 -0.000 -4.895) 5.942 12.856 ( 9.346 0.000 -2.991) 9.813 13.148 ( -0.255 -0.000 -0.023) 0.256 13.439 ( -8.455 -0.000 4.522) 9.588 13.506 ( 0.707 0.000 -4.739) 4.792 13.657 ( -0.405 -0.000 -0.759) 0.860 13.658 ( -7.920 -0.000 2.110) 8.196 14.060 ( 15.227 0.000 -8.433) 17.407 14.621 ( 15.142 0.000 18.316) 23.765 14.737 ( -6.610 -0.000 -4.930) 8.246 15.064 ( 1.250 0.000 16.724) 16.771 15.709 ( 11.330 0.000 -22.989) 25.630 16.030 ( -17.917 -0.000 2.645) 18.111 16.330 ( 1.561 0.000 13.122) 13.214 16.337 ( 12.470 0.000 6.753) 14.181 17.173 ( 3.771 0.000 -8.486) 9.286 17.724 ( -8.474 -0.000 2.087) 8.728 19.263 ( 6.665 0.000 -10.754) 12.652 19.678 ( -13.404 -0.000 2.341) 13.606 20.924 ( 4.776 0.000 -12.094) 13.003 20.930 ( -19.606 -0.000 8.466) 21.355 21.467 ( 11.170 0.000 3.687) 11.763 22.589 ( -15.775 -0.000 -17.751) 23.748 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/38016 10.0 2010.070 1656.750 1608.055 -0.000 -510.029 -0.000 3/38016 20.0 316.438 281.272 339.700 -0.000 -81.843 -0.000 3/38016 30.0 128.262 113.223 138.601 -0.000 -29.980 -0.000 3/38016 40.0 69.808 61.273 74.921 -0.000 -15.659 -0.000 3/38016 50.0 44.625 39.316 47.823 -0.000 -9.973 -0.000 3/38016 60.0 31.583 28.114 33.993 -0.000 -7.163 -0.000 3/38016 70.0 23.939 21.597 25.964 -0.000 -5.552 -0.000 3/38016 80.0 19.042 17.421 20.837 -0.000 -4.522 -0.000 3/38016 90.0 15.692 14.547 17.322 -0.000 -3.809 -0.000 3/38016 100.0 13.283 12.459 14.779 -0.000 -3.286 -0.000 3/38016 110.0 11.481 10.878 12.862 -0.000 -2.886 -0.000 3/38016 120.0 10.091 9.642 11.372 -0.000 -2.570 -0.000 3/38016 130.0 8.992 8.652 10.183 -0.000 -2.315 -0.000 3/38016 140.0 8.104 7.843 9.215 -0.000 -2.105 -0.000 3/38016 150.0 7.374 7.170 8.414 -0.000 -1.930 -0.000 3/38016 160.0 6.765 6.602 7.740 -0.000 -1.781 -0.000 3/38016 170.0 6.251 6.117 7.167 -0.000 -1.654 -0.000 3/38016 180.0 5.810 5.699 6.674 -0.000 -1.543 -0.000 3/38016 190.0 5.430 5.334 6.245 -0.000 -1.447 -0.000 3/38016 200.0 5.098 5.014 5.869 -0.000 -1.362 -0.000 3/38016 210.0 4.806 4.731 5.537 -0.000 -1.287 -0.000 3/38016 220.0 4.547 4.478 5.241 -0.000 -1.220 -0.000 3/38016 230.0 4.316 4.252 4.976 -0.000 -1.160 -0.000 3/38016 240.0 4.109 4.048 4.738 -0.000 -1.106 -0.000 3/38016 250.0 3.921 3.863 4.522 -0.000 -1.057 -0.000 3/38016 260.0 3.751 3.695 4.326 -0.000 -1.012 -0.000 3/38016 270.0 3.596 3.541 4.146 -0.000 -0.971 -0.000 3/38016 280.0 3.454 3.399 3.982 -0.000 -0.933 -0.000 3/38016 290.0 3.324 3.269 3.830 -0.000 -0.898 -0.000 3/38016 300.0 3.203 3.149 3.690 -0.000 -0.866 -0.000 3/38016 310.0 3.092 3.038 3.560 -0.000 -0.836 -0.000 3/38016 320.0 2.988 2.934 3.439 -0.000 -0.808 -0.000 3/38016 330.0 2.891 2.837 3.327 -0.000 -0.782 -0.000 3/38016 340.0 2.801 2.747 3.222 -0.000 -0.758 -0.000 3/38016 350.0 2.717 2.663 3.123 -0.000 -0.735 -0.000 3/38016 360.0 2.637 2.583 3.031 -0.000 -0.714 -0.000 3/38016 370.0 2.562 2.509 2.944 -0.000 -0.694 -0.000 3/38016 380.0 2.492 2.438 2.862 -0.000 -0.675 -0.000 3/38016 390.0 2.426 2.372 2.784 -0.000 -0.657 -0.000 3/38016 400.0 2.363 2.309 2.711 -0.000 -0.640 -0.000 3/38016 410.0 2.303 2.250 2.641 -0.000 -0.624 -0.000 3/38016 420.0 2.246 2.193 2.576 -0.000 -0.609 -0.000 3/38016 430.0 2.193 2.140 2.513 -0.000 -0.594 -0.000 3/38016 440.0 2.141 2.089 2.453 -0.000 -0.580 -0.000 3/38016 450.0 2.093 2.040 2.397 -0.000 -0.567 -0.000 3/38016 460.0 2.046 1.994 2.343 -0.000 -0.554 -0.000 3/38016 470.0 2.002 1.949 2.291 -0.000 -0.542 -0.000 3/38016 480.0 1.959 1.907 2.241 -0.000 -0.531 -0.000 3/38016 490.0 1.918 1.867 2.194 -0.000 -0.520 -0.000 3/38016 500.0 1.879 1.828 2.149 -0.000 -0.509 -0.000 3/38016 510.0 1.842 1.791 2.105 -0.000 -0.499 -0.000 3/38016 520.0 1.806 1.755 2.064 -0.000 -0.489 -0.000 3/38016 530.0 1.771 1.721 2.024 -0.000 -0.480 -0.000 3/38016 540.0 1.738 1.688 1.985 -0.000 -0.471 -0.000 3/38016 550.0 1.706 1.657 1.948 -0.000 -0.462 -0.000 3/38016 560.0 1.675 1.626 1.913 -0.000 -0.454 -0.000 3/38016 570.0 1.646 1.597 1.878 -0.000 -0.446 -0.000 3/38016 580.0 1.617 1.568 1.845 -0.000 -0.438 -0.000 3/38016 590.0 1.589 1.541 1.813 -0.000 -0.431 -0.000 3/38016 600.0 1.562 1.515 1.782 -0.000 -0.423 -0.000 3/38016 610.0 1.537 1.489 1.752 -0.000 -0.416 -0.000 3/38016 620.0 1.512 1.465 1.724 -0.000 -0.410 -0.000 3/38016 630.0 1.487 1.441 1.696 -0.000 -0.403 -0.000 3/38016 640.0 1.464 1.418 1.669 -0.000 -0.397 -0.000 3/38016 650.0 1.441 1.396 1.643 -0.000 -0.391 -0.000 3/38016 660.0 1.419 1.374 1.617 -0.000 -0.385 -0.000 3/38016 670.0 1.398 1.353 1.593 -0.000 -0.379 -0.000 3/38016 680.0 1.377 1.333 1.569 -0.000 -0.373 -0.000 3/38016 690.0 1.357 1.313 1.546 -0.000 -0.368 -0.000 3/38016 700.0 1.338 1.294 1.523 -0.000 -0.363 -0.000 3/38016 710.0 1.319 1.276 1.502 -0.000 -0.357 -0.000 3/38016 720.0 1.301 1.257 1.481 -0.000 -0.352 -0.000 3/38016 730.0 1.283 1.240 1.460 -0.000 -0.348 -0.000 3/38016 740.0 1.265 1.223 1.440 -0.000 -0.343 -0.000 3/38016 750.0 1.248 1.206 1.421 -0.000 -0.338 -0.000 3/38016 760.0 1.232 1.190 1.402 -0.000 -0.334 -0.000 3/38016 770.0 1.216 1.175 1.383 -0.000 -0.329 -0.000 3/38016 780.0 1.200 1.159 1.365 -0.000 -0.325 -0.000 3/38016 790.0 1.185 1.144 1.348 -0.000 -0.321 -0.000 3/38016 800.0 1.170 1.130 1.331 -0.000 -0.317 -0.000 3/38016 810.0 1.156 1.116 1.314 -0.000 -0.313 -0.000 3/38016 820.0 1.141 1.102 1.298 -0.000 -0.309 -0.000 3/38016 830.0 1.128 1.089 1.282 -0.000 -0.305 -0.000 3/38016 840.0 1.114 1.075 1.267 -0.000 -0.302 -0.000 3/38016 850.0 1.101 1.063 1.252 -0.000 -0.298 -0.000 3/38016 860.0 1.088 1.050 1.237 -0.000 -0.295 -0.000 3/38016 870.0 1.076 1.038 1.223 -0.000 -0.291 -0.000 3/38016 880.0 1.063 1.026 1.209 -0.000 -0.288 -0.000 3/38016 890.0 1.051 1.014 1.195 -0.000 -0.285 -0.000 3/38016 900.0 1.040 1.003 1.181 -0.000 -0.282 -0.000 3/38016 910.0 1.028 0.992 1.168 -0.000 -0.279 -0.000 3/38016 920.0 1.017 0.981 1.156 -0.000 -0.276 -0.000 3/38016 930.0 1.006 0.970 1.143 -0.000 -0.273 -0.000 3/38016 940.0 0.995 0.960 1.131 -0.000 -0.270 -0.000 3/38016 950.0 0.985 0.950 1.119 -0.000 -0.267 -0.000 3/38016 960.0 0.975 0.940 1.107 -0.000 -0.264 -0.000 3/38016 970.0 0.965 0.930 1.096 -0.000 -0.261 -0.000 3/38016 980.0 0.955 0.920 1.084 -0.000 -0.259 -0.000 3/38016 990.0 0.945 0.911 1.073 -0.000 -0.256 -0.000 3/38016 1000.0 0.936 0.902 1.062 -0.000 -0.253 -0.000 3/38016 Thermal conductivity related properties were written into "kappa-m8811.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:34:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|